smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCc1nnc2ccc(N3CCCCC3)nn21)NC1CCN(Cc2ccccc2)CC1 ZINC000009431095 132317184 /nfs/dbraw/zinc/31/71/84/132317184.db2.gz LTCXZEIYGNJVQT-UHFFFAOYSA-N 0 3 447.587 2.828 50 0 IFAAHN CC(C)Cc1ccc(CN2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000020783478 519438458 /nfs/dbraw/zinc/43/84/58/519438458.db2.gz RDOKXPBQCDIMRU-NRFANRHFSA-N 0 3 433.622 2.781 50 0 IFAAHN CC(C)NC(=O)CN1CCN([C@@H]2CCC(=O)N(Cc3ccc4ccccc4c3)CC2)CC1 ZINC000020598765 519707051 /nfs/dbraw/zinc/70/70/51/519707051.db2.gz HPYMTGPAPPZDHE-XMMPIXPASA-N 0 3 436.600 2.863 50 0 IFAAHN CCOc1c(CNCCc2ccc(S(N)(=O)=O)cc2)cc(Br)cc1OC ZINC000020476719 520592441 /nfs/dbraw/zinc/59/24/41/520592441.db2.gz LQSGFOAUSRRPOU-UHFFFAOYSA-N 0 3 443.363 2.836 50 0 IFAAHN CCN1CCN(c2ccc(NC(=O)Cc3csc(N4CCCC4=O)n3)cc2C)CC1 ZINC000016300172 521698701 /nfs/dbraw/zinc/69/87/01/521698701.db2.gz VOOVGYVJHZHJLM-UHFFFAOYSA-N 0 3 427.574 2.901 50 0 IFAAHN CN(CC(=O)NC[C@H](c1cccs1)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000012779909 522480196 /nfs/dbraw/zinc/48/01/96/522480196.db2.gz LCSXAHSXMRYPKH-QGZVFWFLSA-N 0 3 442.006 2.975 50 0 IFAAHN COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cc(C)c(OC)cc1C)CC2 ZINC000020786096 522771063 /nfs/dbraw/zinc/77/10/63/522771063.db2.gz XMCXPJUZBLEMJC-FQEVSTJZSA-N 0 3 443.592 2.812 50 0 IFAAHN CN(Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn21)[C@@H]1CCOC1 ZINC000012434152 523150082 /nfs/dbraw/zinc/15/00/82/523150082.db2.gz BGNVXCYPKXXZCG-HXUWFJFHSA-N 0 3 425.577 2.646 50 0 IFAAHN COc1ccc(-c2noc(N3CCC(C(=O)NCCN4CCC(C)CC4)CC3)n2)cc1 ZINC000035447309 523297913 /nfs/dbraw/zinc/29/79/13/523297913.db2.gz AHIGDPPGOKYIIQ-UHFFFAOYSA-N 0 3 427.549 2.810 50 0 IFAAHN COc1ccc(CNCc2cccc(Cl)c2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000020905451 524073241 /nfs/dbraw/zinc/07/32/41/524073241.db2.gz LZIXFHAYWRIEMM-NRFANRHFSA-N 0 3 433.980 2.626 50 0 IFAAHN COc1ccc(CNCc2ccccc2Cl)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000020784601 524073384 /nfs/dbraw/zinc/07/33/84/524073384.db2.gz CVEHAZQXIWWTAE-HXUWFJFHSA-N 0 3 433.980 2.626 50 0 IFAAHN COc1ccccc1/C=C/CN1CCc2nnc([C@H](C)NC(=O)c3cccnc3)n2CC1 ZINC000012457490 524319826 /nfs/dbraw/zinc/31/98/26/524319826.db2.gz ZFNLVUWQZQERTH-YOCVDRLZSA-N 0 3 432.528 2.744 50 0 IFAAHN C[C@H](CN1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1)c1ccccc1 ZINC000012097947 524361816 /nfs/dbraw/zinc/36/18/16/524361816.db2.gz FREKWMRLBGUJCC-LJQANCHMSA-N 0 3 435.547 2.980 50 0 IFAAHN COc1ccccc1CN1CCC[C@@H](CN(CCN(C)C)C(=O)C(=O)c2ccco2)C1 ZINC000012585069 524448417 /nfs/dbraw/zinc/44/84/17/524448417.db2.gz JWAQVEQNJQXDRD-LJQANCHMSA-N 0 3 427.545 2.773 50 0 IFAAHN Cc1ccc(CN2CC[C@@H](CNS(=O)(=O)c3ccc(-c4ccc(=O)[nH]n4)s3)C2)cc1 ZINC000020583712 524468335 /nfs/dbraw/zinc/46/83/35/524468335.db2.gz XDDNXIJGBYLZLP-KRWDZBQOSA-N 0 3 444.582 2.607 50 0 IFAAHN C[C@@H](NC(=O)c1ccc(N2CCC(N3CCN(CCO)CC3)CC2)cc1)c1ccccc1 ZINC000020599622 525328994 /nfs/dbraw/zinc/32/89/94/525328994.db2.gz WSYXJRSOBBRYGS-OAQYLSRUSA-N 0 3 436.600 2.756 50 0 IFAAHN O=C(C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1)N1CCc2n[nH]cc2C1 ZINC000012439451 526303701 /nfs/dbraw/zinc/30/37/01/526303701.db2.gz WKOSPPMUXYQEES-UHFFFAOYSA-N 0 3 434.544 2.817 50 0 IFAAHN Cc1noc2ncnc(N3CCC[C@H](C(=O)NC4CCN(Cc5ccccc5)CC4)C3)c12 ZINC000020945087 526687958 /nfs/dbraw/zinc/68/79/58/526687958.db2.gz KIONEZIFUGWTKW-IBGZPJMESA-N 0 3 434.544 2.923 50 0 IFAAHN Cc1nc(CN2CCN(Cc3ccccc3OC[C@H](O)CN3CCCCC3)CC2)cs1 ZINC000020995352 526867047 /nfs/dbraw/zinc/86/70/47/526867047.db2.gz FTAINSZJEXFFJS-HSZRJFAPSA-N 0 3 444.645 2.995 50 0 IFAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3cc(Cl)ccc3C)CC2)n1 ZINC000021795882 526970352 /nfs/dbraw/zinc/97/03/52/526970352.db2.gz FVQWFAUIIDCLDB-UHFFFAOYSA-N 0 3 430.940 2.938 50 0 IFAAHN O=c1ccc2cc(S(=O)(=O)NCC3CCN(CCc4cccs4)CC3)ccc2[nH]1 ZINC000033077213 527488642 /nfs/dbraw/zinc/48/86/42/527488642.db2.gz CRIXEOQGBSJLTF-UHFFFAOYSA-N 0 3 431.583 2.823 50 0 IFAAHN COc1cccc(C(=O)N2[C@H](C(=O)NCCN3CCCC3)COC23CCC(C)CC3)c1 ZINC000034921063 555931510 /nfs/dbraw/zinc/93/15/10/555931510.db2.gz MZKGDIRKQYJAPC-VZQLXNMESA-N 0 3 429.561 2.655 50 0 IFAAHN O[C@@H](CNCCNc1nccc(C(F)(F)F)n1)COc1ccc(OC(F)(F)F)cc1 ZINC000003467476 555936283 /nfs/dbraw/zinc/93/62/83/555936283.db2.gz OSOCSYOUEXJNHU-NSHDSACASA-N 0 3 440.344 2.835 50 0 IFAAHN O=C1C[C@H](NCCc2ccccc2F)C(=O)N1c1ccc(I)cc1 ZINC000008432481 556171834 /nfs/dbraw/zinc/17/18/34/556171834.db2.gz ONDGIEGGDLKIIM-INIZCTEOSA-N 0 3 438.240 2.895 50 0 IFAAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000032761334 556331552 /nfs/dbraw/zinc/33/15/52/556331552.db2.gz IJWMSYXUGFWSMN-WMZOPIPTSA-N 0 3 441.553 2.826 50 0 IFAAHN CN(C)CCNC(=O)c1ccc(OC2CCN(Cc3ccc(CO)o3)CC2)c(Cl)c1 ZINC000011753921 556348890 /nfs/dbraw/zinc/34/88/90/556348890.db2.gz YWZCYJMERSXEOY-UHFFFAOYSA-N 0 3 435.952 2.760 50 0 IFAAHN Cc1c(CN2CCC(Oc3ccc(C(=O)NCCN(C)C)cc3Cl)CC2)cnn1C ZINC000011838445 556363391 /nfs/dbraw/zinc/36/33/91/556363391.db2.gz DMRRFTXGTRCCHQ-UHFFFAOYSA-N 0 3 433.984 2.717 50 0 IFAAHN COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CNCc2ccc(Cl)s2)c1 ZINC000011843501 556366717 /nfs/dbraw/zinc/36/67/17/556366717.db2.gz SQGOEPBBLSFNHZ-KRWDZBQOSA-N 0 3 440.993 2.896 50 0 IFAAHN O=C(NCc1nnc2n1CCN(Cc1ccc3ncccc3c1)CC2)c1cccc(F)c1 ZINC000011909099 556374389 /nfs/dbraw/zinc/37/43/89/556374389.db2.gz NPBZYZGAAWSADP-UHFFFAOYSA-N 0 3 430.487 2.954 50 0 IFAAHN CCN(CC)[C@@H]1CCN(C(=O)c2cn(C(C)C)cc(C(=O)NCc3ccccc3)c2=O)C1 ZINC000011910507 556375009 /nfs/dbraw/zinc/37/50/09/556375009.db2.gz SHVSTTFCNZSIKU-HXUWFJFHSA-N 0 3 438.572 2.916 50 0 IFAAHN COC(=O)C1CCN(Cc2ccc(OC[C@@H](O)CN(C)Cc3ccccc3)cc2)CC1 ZINC000012053014 556392865 /nfs/dbraw/zinc/39/28/65/556392865.db2.gz OEVIGGXVUBRPLC-QHCPKHFHSA-N 0 3 426.557 2.943 50 0 IFAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)Cn2cnc3ccccc3c2=O)C1 ZINC000012074674 556397216 /nfs/dbraw/zinc/39/72/16/556397216.db2.gz JFCSXBKGDJWQCP-HXUWFJFHSA-N 0 3 448.567 2.818 50 0 IFAAHN Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@H](NCc1ccc3c(c1)OCO3)C2 ZINC000014534422 556422531 /nfs/dbraw/zinc/42/25/31/556422531.db2.gz NZLZKUFKGDDHFX-FQEVSTJZSA-N 0 3 444.535 2.994 50 0 IFAAHN COc1ccc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c(C)c1C ZINC000014882161 556454176 /nfs/dbraw/zinc/45/41/76/556454176.db2.gz PYMNXVMVBUCKAM-UHFFFAOYSA-N 0 3 448.571 2.606 50 0 IFAAHN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC[C@H](C)CN3CCN(C)CC3)c12 ZINC000072283836 556474775 /nfs/dbraw/zinc/47/47/75/556474775.db2.gz YLPVPFKEMDNNQQ-INIZCTEOSA-N 0 3 426.609 2.985 50 0 IFAAHN CCCN1CCN(CCCNC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)CC1 ZINC000022937725 556506562 /nfs/dbraw/zinc/50/65/62/556506562.db2.gz LYSBKQANDZYGHM-DEOSSOPVSA-N 0 3 434.584 2.792 50 0 IFAAHN COc1ccc2c(c1)C[C@H](NC(=O)NCCCN1CCN(Cc3ccccc3)CC1)CO2 ZINC000022938110 556507911 /nfs/dbraw/zinc/50/79/11/556507911.db2.gz JANOWEXRSMGTKM-QFIPXVFZSA-N 0 3 438.572 2.506 50 0 IFAAHN COc1ccc([C@@H](CNC(=O)CCNC(=O)c2ccc(Br)cc2)N(C)C)cc1 ZINC000015387764 556523949 /nfs/dbraw/zinc/52/39/49/556523949.db2.gz OUSRBAFGAQEEJC-LJQANCHMSA-N 0 3 448.361 2.997 50 0 IFAAHN COc1ccc([C@H](CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)N(C)C)cc1 ZINC000015534285 556533584 /nfs/dbraw/zinc/53/35/84/556533584.db2.gz MSJBJXJXTFSQON-INIZCTEOSA-N 0 3 426.542 2.754 50 0 IFAAHN CC(C)N1C[C@H](NCc2ccc(F)cc2F)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000032511827 556540438 /nfs/dbraw/zinc/54/04/38/556540438.db2.gz QODSCNRCCFGWAX-CTNGQTDRSA-N 0 3 445.510 2.993 50 0 IFAAHN CCN(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)[C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000072305219 556550211 /nfs/dbraw/zinc/55/02/11/556550211.db2.gz WUCWAHDFYDVXDH-QFIPXVFZSA-N 0 3 429.586 2.602 50 0 IFAAHN CCOC(=O)C1C(CN2CCN(C)CC23CCCCC3)=NC(=O)N[C@H]1c1ccccc1 ZINC000072308922 556568132 /nfs/dbraw/zinc/56/81/32/556568132.db2.gz GSCUQVMOUJKJRB-NRFANRHFSA-N 0 3 426.561 2.808 50 0 IFAAHN CCOC(=O)C1=C(CN2CCN(C)CC23CCCCC3)NC(=O)N[C@H]1c1ccccc1 ZINC000072308922 556568135 /nfs/dbraw/zinc/56/81/35/556568135.db2.gz GSCUQVMOUJKJRB-NRFANRHFSA-N 0 3 426.561 2.808 50 0 IFAAHN O=C(NCCN1CCOCC1)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000022241766 556578187 /nfs/dbraw/zinc/57/81/87/556578187.db2.gz KKAGNTNKTSIJHM-UHFFFAOYSA-N 0 3 437.584 2.926 50 0 IFAAHN COc1ccc(-c2c(C(=O)N3CCN(C4CCN(C)CC4)CC3)nc3ccccn32)cc1 ZINC000097939313 556652099 /nfs/dbraw/zinc/65/20/99/556652099.db2.gz NHGQEMKFANYLAP-UHFFFAOYSA-N 0 3 433.556 2.862 50 0 IFAAHN O=C(c1nc2ccccn2c1CN1CCCC[C@@H]1CO)N1CCN(C2CCCCC2)CC1 ZINC000019225587 556717085 /nfs/dbraw/zinc/71/70/85/556717085.db2.gz NFQSOHVIKVWLIU-OAQYLSRUSA-N 0 3 439.604 2.772 50 0 IFAAHN O=C(Nc1ccc(F)c(F)c1)C1CC(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1 ZINC000061720356 556727674 /nfs/dbraw/zinc/72/76/74/556727674.db2.gz QUILDPUBDKSIRP-CQSZACIVSA-N 0 3 440.406 2.772 50 0 IFAAHN Cc1cc2ncn(C[C@H](O)CNCc3c[nH]nc3-c3ccc4c(c3)OCCO4)c2cc1C ZINC000078823041 556736464 /nfs/dbraw/zinc/73/64/64/556736464.db2.gz WMRKITDPKYBVPR-LJQANCHMSA-N 0 3 433.512 2.965 50 0 IFAAHN CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC1CCN(C2CC2)CC1 ZINC000058018933 556754124 /nfs/dbraw/zinc/75/41/24/556754124.db2.gz XENVJRQVJDYRFF-NRFANRHFSA-N 0 3 426.586 2.829 50 0 IFAAHN COC(=O)c1ccccc1NC(=O)Cn1c(=O)c2c(nc1-c1ccc(C)cc1)CCN(C)C2 ZINC000062007122 556765091 /nfs/dbraw/zinc/76/50/91/556765091.db2.gz NVTKVPIXMXJDPQ-UHFFFAOYSA-N 0 3 446.507 2.632 50 0 IFAAHN CCN1CCc2nc(-c3ccccc3)n(CC(=O)Nc3cc(OC)cc(OC)c3)c(=O)c2C1 ZINC000062007125 556765102 /nfs/dbraw/zinc/76/51/02/556765102.db2.gz ICCLFRNVJMHNCT-UHFFFAOYSA-N 0 3 448.523 2.944 50 0 IFAAHN CC(C)CC(=O)N[C@H](C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)C(C)C ZINC000058166281 556766553 /nfs/dbraw/zinc/76/65/53/556766553.db2.gz BWKPGIDAJORUFY-URXFXBBRSA-N 0 3 443.636 2.629 50 0 IFAAHN COc1ccc(CC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c(OC)c1 ZINC000058179478 556769927 /nfs/dbraw/zinc/76/99/27/556769927.db2.gz IREJJZPKVKCBCH-HXUWFJFHSA-N 0 3 438.572 2.702 50 0 IFAAHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)CSc1ccc2c(c1)OCCO2 ZINC000058229457 556774084 /nfs/dbraw/zinc/77/40/84/556774084.db2.gz SGZZUVKLJNPPMB-KRWDZBQOSA-N 0 3 436.574 2.816 50 0 IFAAHN O=C(NC1CC[NH+](CC2CCCCC2)CC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000058265264 556776457 /nfs/dbraw/zinc/77/64/57/556776457.db2.gz PJANONKHKCJSDX-UHFFFAOYSA-N 0 3 428.577 2.904 50 0 IFAAHN C[C@@H]1CN(c2ccc(NC(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)cc2F)C[C@@H](C)O1 ZINC000058305112 556778716 /nfs/dbraw/zinc/77/87/16/556778716.db2.gz FLFBYGKGRXYZJP-CBGDNZLLSA-N 0 3 449.571 2.504 50 0 IFAAHN Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c(Cl)c1 ZINC000065362352 556834359 /nfs/dbraw/zinc/83/43/59/556834359.db2.gz IGIVUBOGUJOWTH-UHFFFAOYSA-N 0 3 430.940 2.938 50 0 IFAAHN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCCCN3CCN(CC)CC3)C2)s1 ZINC000033078334 556853287 /nfs/dbraw/zinc/85/32/87/556853287.db2.gz UOPTYBZNGOQLML-SFHVURJKSA-N 0 3 444.649 2.614 50 0 IFAAHN CCN(CC)[C@@H]1CCN(Cc2cnc(S(=O)(=O)C3CCCCCC3)n2CCOC)C1 ZINC000019744847 556891535 /nfs/dbraw/zinc/89/15/35/556891535.db2.gz XWXMTZKWLSMLGZ-LJQANCHMSA-N 0 3 440.654 2.942 50 0 IFAAHN COCCNC(=O)[C@@H]1C[C@@H](NCc2cccc(OCc3ccccc3)c2)CN1C(C)C ZINC000020295542 557006279 /nfs/dbraw/zinc/00/62/79/557006279.db2.gz LVZLGTMOLNDNIJ-VWNXMTODSA-N 0 3 425.573 2.969 50 0 IFAAHN CC[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2C)ccc1N1CC[NH2+]CC1 ZINC000033275433 557054467 /nfs/dbraw/zinc/05/44/67/557054467.db2.gz XAZVEAHXBGYLSS-QGZVFWFLSA-N 0 3 430.574 2.734 50 0 IFAAHN CCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(CCC)cc2)ccc1N1CC[NH2+]CC1 ZINC000033275452 557054488 /nfs/dbraw/zinc/05/44/88/557054488.db2.gz UEXFTULCBQVLLM-UHFFFAOYSA-N 0 3 444.601 2.989 50 0 IFAAHN CCCn1c2ccccc2n(CC(=O)N[C@H](C)CCN2CCN(c3ccccc3)CC2)c1=O ZINC000048312074 557061228 /nfs/dbraw/zinc/06/12/28/557061228.db2.gz KRIVHLHURFQRLQ-OAQYLSRUSA-N 0 3 449.599 2.930 50 0 IFAAHN COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(C)cc2C)CC3)cc1 ZINC000023129515 557066347 /nfs/dbraw/zinc/06/63/47/557066347.db2.gz LIGPRRNQAOJCQJ-UHFFFAOYSA-N 0 3 433.556 2.934 50 0 IFAAHN CN(C)c1ncc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)s1 ZINC000023375078 557088938 /nfs/dbraw/zinc/08/89/38/557088938.db2.gz KYGROXJYROIEMT-LJQANCHMSA-N 0 3 443.617 2.720 50 0 IFAAHN COc1cccc([C@@H](C)NC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2ccccc2)CC3)c1 ZINC000049400880 557096640 /nfs/dbraw/zinc/09/66/40/557096640.db2.gz MSYRLAWLHGAMMW-GOSISDBHSA-N 0 3 446.551 2.996 50 0 IFAAHN COc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cc1OC ZINC000033318631 557100268 /nfs/dbraw/zinc/10/02/68/557100268.db2.gz IDHADLIZHDRCAR-UHFFFAOYSA-N 0 3 426.521 2.757 50 0 IFAAHN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@H](c3ccccc3)N3CCCC3)C2=O)cc1 ZINC000023737949 557112395 /nfs/dbraw/zinc/11/23/95/557112395.db2.gz TZAKCOCVUXEYLM-SQJMNOBHSA-N 0 3 434.540 2.715 50 0 IFAAHN O=C(CSCc1cc(=O)n2ccsc2n1)NC1CCN(Cc2ccccc2)CC1 ZINC000024590931 557152231 /nfs/dbraw/zinc/15/22/31/557152231.db2.gz XKMCGHMXWPBNAP-UHFFFAOYSA-N 0 3 428.583 2.770 50 0 IFAAHN CN(C)CCNC(=O)Cn1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)n1 ZINC000072291523 557155707 /nfs/dbraw/zinc/15/57/07/557155707.db2.gz QMBVYFCWDOJVBM-UHFFFAOYSA-N 0 3 448.738 2.539 50 0 IFAAHN CCN(CC)[C@H](Cn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O)c1cccc(OC)c1 ZINC000024948430 557182168 /nfs/dbraw/zinc/18/21/68/557182168.db2.gz SAILVXPITVTSGK-HXUWFJFHSA-N 0 3 425.485 2.568 50 0 IFAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000025252233 557201180 /nfs/dbraw/zinc/20/11/80/557201180.db2.gz FGBQNOJFUILOMV-TZIWHRDSSA-N 0 3 445.560 2.617 50 0 IFAAHN O=C(CNC(=O)c1ccc(Br)o1)NC[C@H](c1cccs1)N1CCCC1 ZINC000027606091 557267617 /nfs/dbraw/zinc/26/76/17/557267617.db2.gz KFSCRHHTEZWABG-GFCCVEGCSA-N 0 3 426.336 2.787 50 0 IFAAHN COc1ccc(C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)nc1I ZINC000108140098 557541104 /nfs/dbraw/zinc/54/11/04/557541104.db2.gz JQAWFGOOTOGFCJ-XQQFMLRXSA-N 0 3 431.318 2.791 50 0 IFAAHN CN(CC(=O)NC[C@@H](c1ccccc1)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000009691295 562975551 /nfs/dbraw/zinc/97/55/51/562975551.db2.gz AXZDBYBAGOKSGK-FQEVSTJZSA-N 0 3 435.977 2.914 50 0 IFAAHN COc1cccc(CN2CCC3(CC[C@H](CNC(=O)c4cc(C)nn4C)O3)CC2)c1OC ZINC000012020250 562980326 /nfs/dbraw/zinc/98/03/26/562980326.db2.gz JVEXKCDWOKLDDX-LJQANCHMSA-N 0 3 442.560 2.689 50 0 IFAAHN Cc1cc(C)n(CC(=O)NC2CCN(CCOc3ccc(Br)cc3)CC2)n1 ZINC000084102161 568792785 /nfs/dbraw/zinc/79/27/85/568792785.db2.gz IPFYTYNNACWXSA-UHFFFAOYSA-N 0 3 435.366 2.922 50 0 IFAAHN CC1=C(C(=O)NCc2ccc3c(c2)OCO3)C2(CCN(Cc3ccccc3)CC2)OC1=O ZINC000015679417 568805176 /nfs/dbraw/zinc/80/51/76/568805176.db2.gz NSFDUEQRLVWLBJ-UHFFFAOYSA-N 0 3 434.492 2.940 50 0 IFAAHN COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCCN4CCCC[C@@H]4C)C3)n2)cc1 ZINC000015679009 568805402 /nfs/dbraw/zinc/80/54/02/568805402.db2.gz CCXDYTNEXBOJFR-PKOBYXMFSA-N 0 3 427.549 2.952 50 0 IFAAHN CN(C)CCNC(=O)C1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000015734945 568816499 /nfs/dbraw/zinc/81/64/99/568816499.db2.gz CYNCKUUSEQINBL-UHFFFAOYSA-N 0 3 438.395 2.862 50 0 IFAAHN CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCCN4CCCCC4)CC3)ccc21 ZINC000015784257 568826978 /nfs/dbraw/zinc/82/69/78/568826978.db2.gz ADRDAHPOWNKDTN-UHFFFAOYSA-N 0 3 446.617 2.664 50 0 IFAAHN COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCCN4CCCC4)CC3)[nH]c2c1 ZINC000015868678 568852235 /nfs/dbraw/zinc/85/22/35/568852235.db2.gz JFUUSYXZHPYWNS-QGZVFWFLSA-N 0 3 426.561 2.877 50 0 IFAAHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)NC(=O)NCc2ccco2)[C@@H]2CCCC[C@H]12 ZINC000241587904 568912353 /nfs/dbraw/zinc/91/23/53/568912353.db2.gz OYBLANNHSRRSGN-ORFRNNEJSA-N 0 3 432.565 2.789 50 0 IFAAHN CC1CCN(C2=CC(=O)N(c3ccc(C(=O)NCCN4CCCC[C@@H]4C)cc3)C2=O)CC1 ZINC000064567213 568933323 /nfs/dbraw/zinc/93/33/23/568933323.db2.gz AEERFANHNQXOAF-IBGZPJMESA-N 0 3 438.572 2.780 50 0 IFAAHN COc1ccc(OC[C@@H](O)CN(CCN2CCOCC2)Cc2ccc(C)cc2C)cc1 ZINC000036098869 568952084 /nfs/dbraw/zinc/95/20/84/568952084.db2.gz WOLOMKJHRUOXCF-QHCPKHFHSA-N 0 3 428.573 2.886 50 0 IFAAHN CN(CCCNC(=O)C1CCN(c2nc3ccccc3n(C)c2=O)CC1)Cc1ccccc1 ZINC000064873838 568978657 /nfs/dbraw/zinc/97/86/57/568978657.db2.gz SLHFBHDDDJMBFW-UHFFFAOYSA-N 0 3 447.583 2.788 50 0 IFAAHN CC(=O)N1CCCSc2ccc(S(=O)(=O)NCCCN3CCC[C@@H](C)C3)cc21 ZINC000064952258 568996692 /nfs/dbraw/zinc/99/66/92/568996692.db2.gz WVFQCCCKTJMOCD-MRXNPFEDSA-N 0 3 425.620 2.936 50 0 IFAAHN CC(=O)N1CCCSc2ccc(S(=O)(=O)NCCCN3CCC[C@H](C)C3)cc21 ZINC000064952260 568996712 /nfs/dbraw/zinc/99/67/12/568996712.db2.gz WVFQCCCKTJMOCD-INIZCTEOSA-N 0 3 425.620 2.936 50 0 IFAAHN CC(C)C(=O)N(CCN(C)C)Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1 ZINC000036312210 568997565 /nfs/dbraw/zinc/99/75/65/568997565.db2.gz PWUZIHQVMTXVCL-UHFFFAOYSA-N 0 3 431.556 2.779 50 0 IFAAHN Cc1ccc2oc(=O)n(Cc3noc(C(=O)NCCCN4CCc5ccccc5C4)n3)c2c1 ZINC000065111771 569107790 /nfs/dbraw/zinc/10/77/90/569107790.db2.gz GNQHEOHSOJPMRO-UHFFFAOYSA-N 0 3 447.495 2.512 50 0 IFAAHN CCN1CCN(CCNC(=O)c2cccc3c2CCN3C(=O)Nc2ccc(F)cc2)CC1 ZINC000065210110 569116546 /nfs/dbraw/zinc/11/65/46/569116546.db2.gz LGLQCVSFIHOVPE-UHFFFAOYSA-N 0 3 439.535 2.788 50 0 IFAAHN CN1CCC(NC(=O)c2ccc3c(c2)n(Cc2cccc(F)c2)c(=O)c2ccnn23)CC1 ZINC000065270907 569127574 /nfs/dbraw/zinc/12/75/74/569127574.db2.gz GHIWGEQXKBIJSF-UHFFFAOYSA-N 0 3 433.487 2.661 50 0 IFAAHN COCc1nnc(-c2cccc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCCO3)c2)o1 ZINC000170613588 569146273 /nfs/dbraw/zinc/14/62/73/569146273.db2.gz YGUQSDMSLMJTEC-OAQYLSRUSA-N 0 3 436.512 2.904 50 0 IFAAHN CCN1CCN([C@H]2CCN(Cc3nc(-c4ccc(OC(F)F)c(OC)c4)no3)C2)CC1 ZINC000089977318 569169357 /nfs/dbraw/zinc/16/93/57/569169357.db2.gz WJGCXLAAYCGWTC-INIZCTEOSA-N 0 3 437.491 2.558 50 0 IFAAHN CC(C)N1CCN([C@H]2CCOC3(CCN(S(=O)(=O)c4cccc(F)c4)CC3)C2)CC1 ZINC000581819867 569211775 /nfs/dbraw/zinc/21/17/75/569211775.db2.gz PGMQXUWLJQLYGF-FQEVSTJZSA-N 0 3 439.597 2.554 50 0 IFAAHN COC(=O)C(Cc1nc2cc(C)c(C)cc2[nH]c1=O)C(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000033547769 569257678 /nfs/dbraw/zinc/25/76/78/569257678.db2.gz VHTQUHROYVLDPE-HNNXBMFYSA-N 0 3 441.871 2.733 50 0 IFAAHN CCNC(=O)COc1ccc(NC(=O)c2cnn(CCN(C)C)c2-c2ccccc2)cc1 ZINC000253429815 569267494 /nfs/dbraw/zinc/26/74/94/569267494.db2.gz ILCVCFNOVTZIDN-UHFFFAOYSA-N 0 3 435.528 2.879 50 0 IFAAHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000078802957 569318983 /nfs/dbraw/zinc/31/89/83/569318983.db2.gz MQCYXOXIPVPOLG-OAQYLSRUSA-N 0 3 441.597 2.923 50 0 IFAAHN Cc1cccc(N2CCN(C(=O)CN[C@@](C)(CNC(=O)OC(C)(C)C)C3CC3)CC2)c1 ZINC000079105460 569325622 /nfs/dbraw/zinc/32/56/22/569325622.db2.gz RZOIODVDWLAVRS-DEOSSOPVSA-N 0 3 430.593 2.927 50 0 IFAAHN CCOC(=O)C1=C(CN2CCN([C@@H](C)CC)CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020214050 569356462 /nfs/dbraw/zinc/35/64/62/569356462.db2.gz UGVYJNRRDPDBTH-YWZLYKJASA-N 0 3 434.968 2.927 50 0 IFAAHN CC1CCN(CCNC(=O)c2ccc3c(c2)nc2n3CCN(Cc3ccccn3)C2=O)CC1 ZINC000096372493 569397952 /nfs/dbraw/zinc/39/79/52/569397952.db2.gz VRUNLNNNCCZHSS-UHFFFAOYSA-N 0 3 446.555 2.549 50 0 IFAAHN CN(C)CCn1cc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cn1 ZINC000058163062 569449342 /nfs/dbraw/zinc/44/93/42/569449342.db2.gz HPLPULQJMABAOA-UHFFFAOYSA-N 0 3 428.543 2.583 50 0 IFAAHN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)NCCCN1CCOCC1)C[C@@H](C)CC2 ZINC000008709272 569470781 /nfs/dbraw/zinc/47/07/81/569470781.db2.gz LTTHSDCYRHEPRZ-JKSUJKDBSA-N 0 3 437.606 2.689 50 0 IFAAHN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CN2CCNCC2)C3=O)cc1Cl ZINC000039380670 569481515 /nfs/dbraw/zinc/48/15/15/569481515.db2.gz IPBDRBHWAYBXQQ-QFIPXVFZSA-N 0 3 442.972 2.791 50 0 IFAAHN Cn1c(=O)c2c(SCCN3CCCC3)nc(-c3ccc(Cl)cc3)nc2n(C)c1=O ZINC000008897972 569484003 /nfs/dbraw/zinc/48/40/03/569484003.db2.gz SHRNCWQIHHQSPL-UHFFFAOYSA-N 0 3 431.949 2.536 50 0 IFAAHN CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2c(C(=O)OC)[nH]c3cccc(OC)c32)C1 ZINC000008968772 569491832 /nfs/dbraw/zinc/49/18/32/569491832.db2.gz FEEPHMIJCOVPOU-CQSZACIVSA-N 0 3 431.489 2.567 50 0 IFAAHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)CCn1nnc2ccccc2c1=O ZINC000040142755 569491909 /nfs/dbraw/zinc/49/19/09/569491909.db2.gz VILMOHKJCUXQEX-QFIPXVFZSA-N 0 3 433.556 2.771 50 0 IFAAHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000040150044 569493101 /nfs/dbraw/zinc/49/31/01/569493101.db2.gz VKIXIZOGQGDBQR-FQEVSTJZSA-N 0 3 430.574 2.929 50 0 IFAAHN CN(C)CCn1nnnc1SCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000040151914 569493350 /nfs/dbraw/zinc/49/33/50/569493350.db2.gz LOVCVCRHWYFSEB-UHFFFAOYSA-N 0 3 448.556 2.818 50 0 IFAAHN CN1CCN(Cc2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2)CC1 ZINC000040158907 569494583 /nfs/dbraw/zinc/49/45/83/569494583.db2.gz FLPVRVSNOXDJGG-UHFFFAOYSA-N 0 3 436.604 2.825 50 0 IFAAHN COC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1 ZINC000245281388 569502170 /nfs/dbraw/zinc/50/21/70/569502170.db2.gz YEMPDFJQTXLDKH-DENIHFKCSA-N 0 3 444.597 2.972 50 0 IFAAHN CC(C)[C@@H](CNC(=O)COc1cccc(S(C)(=O)=O)c1)N1CCc2ccccc2C1 ZINC000070040830 569529442 /nfs/dbraw/zinc/52/94/42/569529442.db2.gz GJXSNTLWYOVUEP-JOCHJYFZSA-N 0 3 430.570 2.668 50 0 IFAAHN CCN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCCCC1 ZINC000009440806 569535282 /nfs/dbraw/zinc/53/52/82/569535282.db2.gz IUVODXXFZALXOW-UHFFFAOYSA-N 0 3 443.997 2.954 50 0 IFAAHN CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000009528441 569544700 /nfs/dbraw/zinc/54/47/00/569544700.db2.gz GNLQADVFUSAYGP-FQEVSTJZSA-N 0 3 435.615 2.616 50 0 IFAAHN COc1ccc(Cl)cc1NC(=O)CSc1nc(=O)n(CCN(C)C)c2c1CCC2 ZINC000009745329 569565652 /nfs/dbraw/zinc/56/56/52/569565652.db2.gz XMWMHKKWGGCRRB-UHFFFAOYSA-N 0 3 436.965 2.686 50 0 IFAAHN CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1 ZINC000072316335 504072887 /nfs/dbraw/zinc/07/28/87/504072887.db2.gz RHXHGRAEPCAFML-UHFFFAOYSA-N 0 3 434.548 2.796 50 0 fda IFAAHN CC(C)CCNC(=O)c1cn(C2CCCC2)cc(C(=O)NC[C@@H]2CCCN(C)C2)c1=O ZINC000012192908 519662808 /nfs/dbraw/zinc/66/28/08/519662808.db2.gz IUOVEBZPIUZRJP-SFHVURJKSA-N 0 3 430.593 2.811 50 0 IFAAHN CC(=O)Nc1cc(CN[C@H](C)Cc2ccc(F)cc2)cc(C(=O)N2CCN(C)CC2)c1 ZINC000012219047 519703779 /nfs/dbraw/zinc/70/37/79/519703779.db2.gz VREJSRJTGVXURC-QGZVFWFLSA-N 0 3 426.536 2.893 50 0 IFAAHN CC(C)NC(=O)CN1CCN([C@H]2CCC(=O)N(Cc3ccc4ccccc4c3)CC2)CC1 ZINC000020598764 519707260 /nfs/dbraw/zinc/70/72/60/519707260.db2.gz HPYMTGPAPPZDHE-DEOSSOPVSA-N 0 3 436.600 2.863 50 0 IFAAHN CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCCN3CCCC[C@H]3C)n2C)c1 ZINC000035561081 520814321 /nfs/dbraw/zinc/81/43/21/520814321.db2.gz CFPHYWPMLSVLAG-QGZVFWFLSA-N 0 3 434.606 2.813 50 0 IFAAHN CC1CCN(CCNC(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)CC1 ZINC000020557066 521011089 /nfs/dbraw/zinc/01/10/89/521011089.db2.gz OQXVCXXVEFGZKG-UHFFFAOYSA-N 0 3 439.608 2.617 50 0 IFAAHN CCN1CCC(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)CC1 ZINC000012799253 521578585 /nfs/dbraw/zinc/57/85/85/521578585.db2.gz WLVHOQQHXXLBKN-UHFFFAOYSA-N 0 3 431.558 2.734 50 0 IFAAHN CCN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC ZINC000012692896 521637619 /nfs/dbraw/zinc/63/76/19/521637619.db2.gz UVZXHNJLGGEJKM-GOSISDBHSA-N 0 3 443.569 2.661 50 0 IFAAHN CN(C)[C@H](CNC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1ccccc1 ZINC000012922776 522071269 /nfs/dbraw/zinc/07/12/69/522071269.db2.gz AMPYGDDROPIKRH-QFIPXVFZSA-N 0 3 443.613 2.693 50 0 IFAAHN CCc1nn(CCCC(=O)NCCN2CCCC[C@H]2C)c(=O)c2cc3oc(C)cc3n21 ZINC000020862500 522705151 /nfs/dbraw/zinc/70/51/51/522705151.db2.gz XGWJXTZTUDAMFA-MRXNPFEDSA-N 0 3 427.549 2.884 50 0 IFAAHN COCc1ccc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000020920865 522972482 /nfs/dbraw/zinc/97/24/82/522972482.db2.gz ZZJXUSLUSHXXLZ-FQEVSTJZSA-N 0 3 427.545 2.937 50 0 IFAAHN CCn1c2ccc(C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)cc2[nH]c(=O)c1=O ZINC000022680786 523261072 /nfs/dbraw/zinc/26/10/72/523261072.db2.gz HXVXHWHCLZXELO-LJQANCHMSA-N 0 3 440.569 2.974 50 0 IFAAHN CCn1cc(CN2CCC(Oc3ccc(C(=O)NCCN(C)C)cc3Cl)CC2)cn1 ZINC000012612742 523368786 /nfs/dbraw/zinc/36/87/86/523368786.db2.gz DNKXDWOTCGLAJN-UHFFFAOYSA-N 0 3 433.984 2.891 50 0 IFAAHN COc1ccc(C(=O)NCC(C)(C)N2CCOCC2)cc1OC1CCN(C(C)C)CC1 ZINC000012588410 523689371 /nfs/dbraw/zinc/68/93/71/523689371.db2.gz HXMLKLNKBDTMQQ-UHFFFAOYSA-N 0 3 433.593 2.787 50 0 IFAAHN CN1CCCN(C(=O)c2nc3sccn3c2CNCc2ccc(-n3cccn3)cc2)CC1 ZINC000020864981 523806327 /nfs/dbraw/zinc/80/63/27/523806327.db2.gz APTHAFFSSIFJGY-UHFFFAOYSA-N 0 3 449.584 2.649 50 0 IFAAHN CCc1ccc(NC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@@H](N)CC(C)C)CC2)C(C)C)cc1 ZINC000012875021 523988365 /nfs/dbraw/zinc/98/83/65/523988365.db2.gz TXCSUEWEIAHOCD-VXKWHMMOSA-N 0 3 444.620 2.940 50 0 IFAAHN COc1ccc(CN(C)Cc2nnc(C)o2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000012588140 524007726 /nfs/dbraw/zinc/00/77/26/524007726.db2.gz LMFZCJNTIZKKBH-NRFANRHFSA-N 0 3 440.544 2.890 50 0 IFAAHN COc1ccccc1CNCc1ccc(OC[C@H](O)CN2CCSCC2)c(OC)c1 ZINC000012315813 524487710 /nfs/dbraw/zinc/48/77/10/524487710.db2.gz MJMQSHFNXXVEOG-HXUWFJFHSA-N 0 3 432.586 2.782 50 0 IFAAHN C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CNCCc2cccnc2)C[C@H](C)O1 ZINC000020514349 524885782 /nfs/dbraw/zinc/88/57/82/524885782.db2.gz QFNHHAPPWFLGIF-IYBDPMFKSA-N 0 3 427.936 2.964 50 0 IFAAHN C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CNCCN2CCCCC2)C[C@H](C)O1 ZINC000020992372 524886618 /nfs/dbraw/zinc/88/66/18/524886618.db2.gz UGZPJKCKMUKMQD-CALCHBBNSA-N 0 3 433.984 2.813 50 0 IFAAHN C[C@H](NC(=O)c1ccc(N2CCC(N3CCN(CCO)CC3)CC2)cc1)c1ccccc1 ZINC000020599623 525216244 /nfs/dbraw/zinc/21/62/44/525216244.db2.gz WSYXJRSOBBRYGS-NRFANRHFSA-N 0 3 436.600 2.756 50 0 IFAAHN Cc1[nH]c(C(=O)N2CCC[C@H](C(=O)NCCN3CCCCC3)C2)c(C)c1C(=O)OC(C)C ZINC000035422159 525410073 /nfs/dbraw/zinc/41/00/73/525410073.db2.gz NYUJEGOJIJAGTJ-IBGZPJMESA-N 0 3 446.592 2.651 50 0 IFAAHN COc1cccc(-c2cc(C(=O)N(CCC(=O)NCCN(C)C)Cc3ccco3)no2)c1 ZINC000036002445 525700639 /nfs/dbraw/zinc/70/06/39/525700639.db2.gz HCKJUQRFNMPXSB-UHFFFAOYSA-N 0 3 440.500 2.654 50 0 IFAAHN O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NCCN1CCCCC1 ZINC000035459790 526367912 /nfs/dbraw/zinc/36/79/12/526367912.db2.gz WBKTWQYPIDOOBE-UHFFFAOYSA-N 0 3 434.027 2.794 50 0 IFAAHN O=C(CCn1c(=O)c2cccn2c2cccnc21)NCCCN1CCc2ccccc2C1 ZINC000020512772 526667218 /nfs/dbraw/zinc/66/72/18/526667218.db2.gz LEDGLBWCNSOSIW-UHFFFAOYSA-N 0 3 429.524 2.604 50 0 IFAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000021795686 526967121 /nfs/dbraw/zinc/96/71/21/526967121.db2.gz AHSBEZJVPLAYFZ-UHFFFAOYSA-N 0 3 429.956 2.544 50 0 IFAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)n1 ZINC000021795690 526967786 /nfs/dbraw/zinc/96/77/86/526967786.db2.gz WYWBVMBKZKQMIS-UHFFFAOYSA-N 0 3 429.956 2.544 50 0 IFAAHN O=C(C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)N1CCN(C2CCCC2)CC1 ZINC000020450887 527100873 /nfs/dbraw/zinc/10/08/73/527100873.db2.gz MGSRIGOSJQOCCF-XMMPIXPASA-N 0 3 434.584 2.617 50 0 IFAAHN Cc1nccn1CCCNCc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2ccc(Cl)cn21 ZINC000012434389 527420541 /nfs/dbraw/zinc/42/05/41/527420541.db2.gz NMYQWHTXORGRGE-IYBDPMFKSA-N 0 3 444.967 2.922 50 0 IFAAHN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000009062516 556244175 /nfs/dbraw/zinc/24/41/75/556244175.db2.gz ONDIIDDHMSRBMS-UHFFFAOYSA-N 0 3 427.570 2.738 50 0 IFAAHN COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CNCc2ccc(Cl)s2)c1 ZINC000011843500 556366705 /nfs/dbraw/zinc/36/67/05/556366705.db2.gz SQGOEPBBLSFNHZ-QGZVFWFLSA-N 0 3 440.993 2.896 50 0 IFAAHN COc1ccccc1/C=C/CN1CCc2nnc(CNC(=O)Cc3ccccc3)n2CC1 ZINC000011908909 556374361 /nfs/dbraw/zinc/37/43/61/556374361.db2.gz WGWIJXFYTCHYLD-YRNVUSSQSA-N 0 3 431.540 2.717 50 0 IFAAHN COC(=O)C1CCN(C[C@H](O)COc2cccc(CN(C)Cc3ccc(C)o3)c2)CC1 ZINC000011954361 556380668 /nfs/dbraw/zinc/38/06/68/556380668.db2.gz FDHVTAKBPGAKPR-NRFANRHFSA-N 0 3 430.545 2.845 50 0 IFAAHN Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)NCCN(C)C)N(Cc3cc(F)ccc3F)C2)n1 ZINC000012051949 556392883 /nfs/dbraw/zinc/39/28/83/556392883.db2.gz ZPYFBJFDOGBLQO-QUCCMNQESA-N 0 3 449.571 2.785 50 0 IFAAHN CCN1CCN(CCNC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)CC1 ZINC000032579069 556406094 /nfs/dbraw/zinc/40/60/94/556406094.db2.gz YGVBWCBQWNDHLJ-UHFFFAOYSA-N 0 3 449.555 2.845 50 0 IFAAHN COc1ccccc1CN[C@@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 ZINC000014536535 556423735 /nfs/dbraw/zinc/42/37/35/556423735.db2.gz GOOVECYYJXLHJB-LJQANCHMSA-N 0 3 426.561 2.667 50 0 IFAAHN COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccc(OC)cc1)CC2 ZINC000014537303 556424001 /nfs/dbraw/zinc/42/40/01/556424001.db2.gz PUIZHNGKSGONQQ-UHFFFAOYSA-N 0 3 438.528 2.536 50 0 IFAAHN COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN([C@@H](C)CO)CC2 ZINC000014743166 556439735 /nfs/dbraw/zinc/43/97/35/556439735.db2.gz ACLSXJQSGCZNGT-IBGZPJMESA-N 0 3 439.556 2.856 50 0 IFAAHN CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1cccc(-c3ccccc3C)c1)CC2 ZINC000014747998 556442410 /nfs/dbraw/zinc/44/24/10/556442410.db2.gz NOAWMGKGJMBTEI-UHFFFAOYSA-N 0 3 434.540 2.766 50 0 IFAAHN COC(=O)CCN1CCC2(CC1)C(=O)N(Cc1ccc(OC)cc1)C(=O)N2CC(C)C ZINC000014751914 556443679 /nfs/dbraw/zinc/44/36/79/556443679.db2.gz NVAGORCYIPGTEO-UHFFFAOYSA-N 0 3 431.533 2.513 50 0 IFAAHN COc1ccc(OC)c2c1CN(C(=O)NC1CCN(Cc3ccccc3)CC1)C[C@H]2O ZINC000032862695 556447865 /nfs/dbraw/zinc/44/78/65/556447865.db2.gz AQQUMMDCDSLRRS-HXUWFJFHSA-N 0 3 425.529 2.927 50 0 IFAAHN CN(CCO)C(=O)c1cn(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)nn1 ZINC000014880767 556453459 /nfs/dbraw/zinc/45/34/59/556453459.db2.gz GCCIUFQLNHKDFR-UHFFFAOYSA-N 0 3 435.528 2.972 50 0 IFAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)CCN1CCCCO1 ZINC000014961393 556464233 /nfs/dbraw/zinc/46/42/33/556464233.db2.gz TTXRMXLUZCZXSI-OAQYLSRUSA-N 0 3 434.600 2.845 50 0 IFAAHN COc1cc(CN2CCCC[C@@H]2CCn2cc(C(=O)NC3CC3)nn2)cc(OC)c1OC ZINC000014981225 556470786 /nfs/dbraw/zinc/47/07/86/556470786.db2.gz HPPSKAPZUCMKOR-GOSISDBHSA-N 0 3 443.548 2.641 50 0 IFAAHN O=c1c2c(ncn1CCN1CCOCC1)sc1c2CC[C@H](NCc2ccccc2F)C1 ZINC000014985625 556472311 /nfs/dbraw/zinc/47/23/11/556472311.db2.gz GMXQRPLBINJBKE-KRWDZBQOSA-N 0 3 442.560 2.576 50 0 IFAAHN Cc1cc(C)nc(N2CCC(CN[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)n1 ZINC000015023284 556488432 /nfs/dbraw/zinc/48/84/32/556488432.db2.gz JLZRDTKVEDGDDK-LJQANCHMSA-N 0 3 427.936 2.885 50 0 IFAAHN CC(C)N1C[C@H](NCc2ccc(F)cc2)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000032590346 556541942 /nfs/dbraw/zinc/54/19/42/556541942.db2.gz CBSDAEWCUVJIFS-RTWAWAEBSA-N 0 3 427.520 2.854 50 0 IFAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)n1 ZINC000015671206 556542178 /nfs/dbraw/zinc/54/21/78/556542178.db2.gz ABODGXRJYFSGFX-UHFFFAOYSA-N 0 3 435.450 2.603 50 0 IFAAHN CC(C)CCN(CCN1C(=O)c2ccccc2C1=O)CCN1C(=O)c2ccccc2C1=O ZINC000001203007 556574371 /nfs/dbraw/zinc/57/43/71/556574371.db2.gz KGIMCQRDPOIOEI-UHFFFAOYSA-N 0 3 433.508 2.927 50 0 IFAAHN Cc1ccc(CNCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000033757755 556630639 /nfs/dbraw/zinc/63/06/39/556630639.db2.gz RLYOSAVUKBKZAL-UHFFFAOYSA-N 0 3 437.565 2.771 50 0 IFAAHN Cc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)N1CCN(C2CCCCC2)CC1 ZINC000097938325 556634265 /nfs/dbraw/zinc/63/42/65/556634265.db2.gz QZMJCAOIOSBNGV-UHFFFAOYSA-N 0 3 436.556 2.886 50 0 IFAAHN CCN1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000045966760 556688715 /nfs/dbraw/zinc/68/87/15/556688715.db2.gz YLYCTLOSBIRFDM-JOCHJYFZSA-N 0 3 428.621 2.733 50 0 IFAAHN CN(C)C[C@@H](CNC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)[C@H](O)c1ccccc1 ZINC000065491275 556694754 /nfs/dbraw/zinc/69/47/54/556694754.db2.gz SRMYXPRXYVKNIU-JLTOFOAXSA-N 0 3 432.908 2.704 50 0 IFAAHN O=C(c1nc2ccccn2c1CN1CCC[C@@H](CO)C1)N1CCN(C2CCCCC2)CC1 ZINC000019222125 556716105 /nfs/dbraw/zinc/71/61/05/556716105.db2.gz AJIZJTVBUGMEIZ-HXUWFJFHSA-N 0 3 439.604 2.629 50 0 IFAAHN CCN(CC)CCn1c(=O)nc(SCC(=O)NCc2ccccc2)c2c1CCCC2 ZINC000005254362 556747395 /nfs/dbraw/zinc/74/73/95/556747395.db2.gz IDOAJFCQXLXREE-UHFFFAOYSA-N 0 3 428.602 2.872 50 0 IFAAHN CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC1CCN(C2CC2)CC1 ZINC000058018936 556754422 /nfs/dbraw/zinc/75/44/22/556754422.db2.gz XENVJRQVJDYRFF-OAQYLSRUSA-N 0 3 426.586 2.829 50 0 IFAAHN CCN1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccccc3C(=O)OC)c(=O)c2C1 ZINC000062007128 556765400 /nfs/dbraw/zinc/76/54/00/556765400.db2.gz KHTGVIJQYHBWBR-UHFFFAOYSA-N 0 3 446.507 2.714 50 0 IFAAHN O=C([C@H]1CC(c2ccccc2)=NO1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058167927 556767004 /nfs/dbraw/zinc/76/70/04/556767004.db2.gz OOFROAOSUPSVCJ-NFBKMPQASA-N 0 3 433.556 2.635 50 0 IFAAHN CCN1CCC[C@H]1CNC(=O)C1CCN(C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000058377676 556783715 /nfs/dbraw/zinc/78/37/15/556783715.db2.gz IMMWMISTYZLZMZ-IBGZPJMESA-N 0 3 430.549 2.692 50 0 IFAAHN CCN1CCN(CCCNC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)CC1 ZINC000058776131 556791943 /nfs/dbraw/zinc/79/19/43/556791943.db2.gz CCQHXWVAFZIXCO-JOCHJYFZSA-N 0 3 436.600 2.836 50 0 IFAAHN COc1ccc(NC(=O)c2nnc(CCC(=O)NCCN3CCCC[C@H]3C)s2)cc1 ZINC000033061862 556817447 /nfs/dbraw/zinc/81/74/47/556817447.db2.gz FFSXKZVTYRXCDU-OAHLLOKOSA-N 0 3 431.562 2.722 50 0 IFAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)n1 ZINC000065363805 556835129 /nfs/dbraw/zinc/83/51/29/556835129.db2.gz PBURAFHDBVXAKZ-UHFFFAOYSA-N 0 3 434.903 2.768 50 0 IFAAHN C[C@@H]1CN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn32)CCN1C ZINC000019636904 556835518 /nfs/dbraw/zinc/83/55/18/556835518.db2.gz BALURPGPSSVQFE-HXUWFJFHSA-N 0 3 438.620 2.561 50 0 IFAAHN O=C(c1nc2ccc(Cl)cn2c1CNCCN1CCC[C@@H](O)C1)N1CCCCCCC1 ZINC000019744421 556890828 /nfs/dbraw/zinc/89/08/28/556890828.db2.gz ZQAMWYQFSVQPLQ-LJQANCHMSA-N 0 3 448.011 2.940 50 0 IFAAHN Cc1ccc(C)c(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)c1 ZINC000019744580 556891092 /nfs/dbraw/zinc/89/10/92/556891092.db2.gz PWYZJJCECPWGCY-UHFFFAOYSA-N 0 3 435.547 2.994 50 0 IFAAHN CCN1CCN(C[C@H](O)COc2ccc(CNCc3ccc(F)cc3)cc2OC)CC1 ZINC000020206162 556998291 /nfs/dbraw/zinc/99/82/91/556998291.db2.gz XVADZTKMSXNUGA-QFIPXVFZSA-N 0 3 431.552 2.501 50 0 IFAAHN Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CC[NH2+]CC3)c(C(=O)NCC(C)C)c2)c1 ZINC000033275415 557054503 /nfs/dbraw/zinc/05/45/03/557054503.db2.gz GVFKFJGVHIJLKV-UHFFFAOYSA-N 0 3 444.601 2.900 50 0 IFAAHN Cc1nc2c(c(=O)n1CC(=O)NCCCc1ccccc1)CN(Cc1ccccc1)CC2 ZINC000049400815 557096290 /nfs/dbraw/zinc/09/62/90/557096290.db2.gz CHDGSSMYCIOPEE-UHFFFAOYSA-N 0 3 430.552 2.859 50 0 IFAAHN COc1cccc([C@H](C)NC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2ccccc2)CC3)c1 ZINC000049400877 557096730 /nfs/dbraw/zinc/09/67/30/557096730.db2.gz MSYRLAWLHGAMMW-SFHVURJKSA-N 0 3 446.551 2.996 50 0 IFAAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000032761333 557315343 /nfs/dbraw/zinc/31/53/43/557315343.db2.gz IJWMSYXUGFWSMN-AEFFLSMTSA-N 0 3 441.553 2.826 50 0 IFAAHN Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000024023227 557391537 /nfs/dbraw/zinc/39/15/37/557391537.db2.gz QMJNHJMISFCPKC-UHFFFAOYSA-N 0 3 448.493 2.518 50 0 IFAAHN C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1Cl ZINC000106914004 557533550 /nfs/dbraw/zinc/53/35/50/557533550.db2.gz MDQAGVIRVRKKJF-XQQFMLRXSA-N 0 3 436.405 2.998 50 0 IFAAHN C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1Cl ZINC000106914004 557533554 /nfs/dbraw/zinc/53/35/54/557533554.db2.gz MDQAGVIRVRKKJF-XQQFMLRXSA-N 0 3 436.405 2.998 50 0 IFAAHN CCCCn1c(N)c(N(C(=O)CN2CCC[C@H]3CCCC[C@H]32)C2CCCC2)c(=O)[nH]c1=O ZINC000229980125 557834722 /nfs/dbraw/zinc/83/47/22/557834722.db2.gz KNQIJHJGMGDGQA-IEBWSBKVSA-N 0 3 445.608 2.849 50 0 IFAAHN C[C@H]1CCCCN1CCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004003866 562940683 /nfs/dbraw/zinc/94/06/83/562940683.db2.gz PBEDSCNJJLEVCT-SFHVURJKSA-N 0 3 434.540 2.537 50 0 IFAAHN COCCCNC(=O)CSc1nc2ccccc2c(=O)n1CCCN1CCCCC1 ZINC000009473076 562971784 /nfs/dbraw/zinc/97/17/84/562971784.db2.gz QOPOAQJTVJERQC-UHFFFAOYSA-N 0 3 432.590 2.517 50 0 IFAAHN CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000009781105 562976858 /nfs/dbraw/zinc/97/68/58/562976858.db2.gz LLVDKZSRUFATNP-UHFFFAOYSA-N 0 3 442.006 2.803 50 0 IFAAHN CCCN1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(OC(C)C)cc3)NC(=O)N2)CC1 ZINC000020214457 563024132 /nfs/dbraw/zinc/02/41/32/563024132.db2.gz OVCQQKDTQZCFAS-QFIPXVFZSA-N 0 3 444.576 2.673 50 0 IFAAHN CCCN1CCN(CC2=NC(=O)N[C@@H](c3ccc(OC(C)C)cc3)C2C(=O)OCC)CC1 ZINC000020214457 563024133 /nfs/dbraw/zinc/02/41/33/563024133.db2.gz OVCQQKDTQZCFAS-QFIPXVFZSA-N 0 3 444.576 2.673 50 0 IFAAHN CON(C)S(=O)(=O)c1ccc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1 ZINC000078564537 568762175 /nfs/dbraw/zinc/76/21/75/568762175.db2.gz HKBCNKRFDKAEJZ-UHFFFAOYSA-N 0 3 438.525 2.603 50 0 IFAAHN Cn1c2nc(NCc3ccc(CN4CCCCC4)o3)n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000001275251 568775802 /nfs/dbraw/zinc/77/58/02/568775802.db2.gz RWWKNRJKNDTRMV-UHFFFAOYSA-N 0 3 448.527 2.663 50 0 IFAAHN C[C@@H]1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000084692286 568799993 /nfs/dbraw/zinc/79/99/93/568799993.db2.gz PHGAZEUQOWNKIC-LJQANCHMSA-N 0 3 447.645 2.957 50 0 IFAAHN CN(C)CCNC(=O)c1coc(CN(Cc2ccccc2)Cc2ccc3c(c2)OCO3)n1 ZINC000036073717 568946246 /nfs/dbraw/zinc/94/62/46/568946246.db2.gz LWFXVQGZMQAHKM-UHFFFAOYSA-N 0 3 436.512 2.897 50 0 IFAAHN CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(c2=O)CN(Cc2ccccc2)CC3)cc1 ZINC000064755497 568951210 /nfs/dbraw/zinc/95/12/10/568951210.db2.gz MMFXCXXYENKILO-UHFFFAOYSA-N 0 3 446.507 2.617 50 0 IFAAHN COc1ccc(CCN2C[C@H](C(=O)N3CCN(C4CCCCC4)CC3)CC2=O)cc1OC ZINC000064761490 568952744 /nfs/dbraw/zinc/95/27/44/568952744.db2.gz USYDCMVDFBXZIP-HXUWFJFHSA-N 0 3 443.588 2.572 50 0 IFAAHN CCN1CCN(CCCNC(=O)c2ccc3c(c2)nc(C)c(=O)n3Cc2ccccc2)CC1 ZINC000064859410 568972450 /nfs/dbraw/zinc/97/24/50/568972450.db2.gz FTTBIVAPIASFKU-UHFFFAOYSA-N 0 3 447.583 2.511 50 0 IFAAHN COC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1 ZINC000036309091 568995850 /nfs/dbraw/zinc/99/58/50/568995850.db2.gz YEMPDFJQTXLDKH-KNQAVFIVSA-N 0 3 444.597 2.972 50 0 IFAAHN CCCN1CCN(CCNC(=O)C2CCN(c3ncc(-c4ccccc4)cn3)CC2)CC1 ZINC000065023920 569089492 /nfs/dbraw/zinc/08/94/92/569089492.db2.gz WHJWPTZDSOBPAT-UHFFFAOYSA-N 0 3 436.604 2.504 50 0 IFAAHN CCCN1CCN(CCNC(=O)c2cccc(-c3cnc(N4CCCCC4)nc3)c2)CC1 ZINC000065025756 569090749 /nfs/dbraw/zinc/09/07/49/569090749.db2.gz YVTCYBQKXRYXCA-UHFFFAOYSA-N 0 3 436.604 2.891 50 0 IFAAHN Cc1ccc(S(=O)(=O)N2CCC3(CC2)NCCN=C3NCc2ccccc2F)c(C)c1 ZINC000065074818 569099127 /nfs/dbraw/zinc/09/91/27/569099127.db2.gz YPEXGJOYXCZQBB-UHFFFAOYSA-N 0 3 444.576 2.757 50 0 IFAAHN CCN1CCC[C@H]1CNC(=O)[C@@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000036594929 569121457 /nfs/dbraw/zinc/12/14/57/569121457.db2.gz MMCQWVLEAZAZPW-WBVHZDCISA-N 0 3 425.558 2.806 50 0 IFAAHN CCOC(=O)N1CCC(NC(=O)c2ccnc(N3CCN[C@H](c4ccccc4)C3)c2)CC1 ZINC000065255997 569123146 /nfs/dbraw/zinc/12/31/46/569123146.db2.gz SLLAANNXPLCEFR-NRFANRHFSA-N 0 3 437.544 2.583 50 0 IFAAHN O=C(NCCN1CCCC1)[C@@H]1CN(S(=O)(=O)c2cccs2)CC12CCCCC2 ZINC000065259863 569124883 /nfs/dbraw/zinc/12/48/83/569124883.db2.gz DXRMVYKGKPVUIH-KRWDZBQOSA-N 0 3 425.620 2.531 50 0 IFAAHN CN1CCN(CCCNC(=O)[C@@H]2CCc3sc(C(=O)N4CCCCCC4)cc3C2)CC1 ZINC000065273154 569129342 /nfs/dbraw/zinc/12/93/42/569129342.db2.gz FPBKHTWNHYFUBP-LJQANCHMSA-N 0 3 446.661 2.623 50 0 IFAAHN O=C(NCCN1CCCCCC1)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314114 569135522 /nfs/dbraw/zinc/13/55/22/569135522.db2.gz PVQQTYXTBPTLGY-JOCHJYFZSA-N 0 3 437.588 2.500 50 0 IFAAHN COc1ccc(C(=O)N(C)CCN(C)C2CC2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000170598372 569142259 /nfs/dbraw/zinc/14/22/59/569142259.db2.gz YTYHGMANRURMIF-IAGOWNOFSA-N 0 3 437.606 2.528 50 0 IFAAHN Cc1ccc2nc(NC(=O)CSc3nc(=O)n(CCN(C)C)c4c3CCC4)sc2c1 ZINC000017122112 569174242 /nfs/dbraw/zinc/17/42/42/569174242.db2.gz ZVEIIDYZUSISEE-UHFFFAOYSA-N 0 3 443.598 2.943 50 0 IFAAHN COc1cccc(C(=O)/N=c2\sccn2Cc2ccccc2C(=O)NCCN(C)C)c1 ZINC000037435935 569196161 /nfs/dbraw/zinc/19/61/61/569196161.db2.gz DNKAKPWAOURVHL-BZZOAKBMSA-N 0 3 438.553 2.639 50 0 IFAAHN CC(C)N1CCN([C@H]2CCOC3(CCN(C(=O)c4n[nH]c5ccccc54)CC3)C2)CC1 ZINC000581819700 569211448 /nfs/dbraw/zinc/21/14/48/569211448.db2.gz CMLTYOKDBFTGQE-IBGZPJMESA-N 0 3 425.577 2.743 50 0 IFAAHN CC(C)N1CCN([C@@H]2CCOC3(CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)CC1 ZINC000581819746 569211598 /nfs/dbraw/zinc/21/15/98/569211598.db2.gz HQLVUAYPQUSAKK-JOCHJYFZSA-N 0 3 435.634 2.556 50 0 IFAAHN O=C(NC1CCCCC1)[C@H]1C(=O)C(=O)N(C2CCCCC2)C(=O)[C@@H]1NC1CCCCC1 ZINC000107988104 569258844 /nfs/dbraw/zinc/25/88/44/569258844.db2.gz AJSNGWPXOSLKIO-WOJBJXKFSA-N 0 3 431.577 2.613 50 0 IFAAHN CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cn1ccc2c1cccc2[N-]S(C)(=O)=O ZINC000253414414 569266125 /nfs/dbraw/zinc/26/61/25/569266125.db2.gz XKTQDBBWMFLOPX-FXAWDEMLSA-N 0 3 432.590 2.736 50 0 IFAAHN CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cn1ccc2c1cccc2[N-]S(C)(=O)=O ZINC000253414414 569266127 /nfs/dbraw/zinc/26/61/27/569266127.db2.gz XKTQDBBWMFLOPX-FXAWDEMLSA-N 0 3 432.590 2.736 50 0 IFAAHN COC(=O)[C@H]1CCCC[C@]1(C)NCC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000095444034 569366989 /nfs/dbraw/zinc/36/69/89/569366989.db2.gz XEOMURKUNOTBDR-JPYJTQIMSA-N 0 3 427.501 2.860 50 0 IFAAHN C[C@H]1CN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CCN1C1CCN(C)CC1 ZINC000095455955 569368659 /nfs/dbraw/zinc/36/86/59/569368659.db2.gz QQVXLYFBMORURZ-INIZCTEOSA-N 0 3 446.393 2.875 50 0 IFAAHN Cc1ccccc1CNC(=O)CN(C)C1CCN(CC(=O)NCc2ccccc2C)CC1 ZINC000095459847 569369531 /nfs/dbraw/zinc/36/95/31/569369531.db2.gz FANVXLTWGZUVHP-UHFFFAOYSA-N 0 3 436.600 2.632 50 0 IFAAHN COc1cccc([C@H](CNC(=O)c2cnc3sc(C)c(C)n3c2=O)N2CCCC2)c1 ZINC000095462890 569370101 /nfs/dbraw/zinc/37/01/01/569370101.db2.gz RHDRTCPUBSDQGK-IBGZPJMESA-N 0 3 426.542 2.948 50 0 IFAAHN COc1cccc([C@@H](CNC(=O)c2cnc3sc(C)c(C)n3c2=O)N2CCCC2)c1 ZINC000095462891 569370186 /nfs/dbraw/zinc/37/01/86/569370186.db2.gz RHDRTCPUBSDQGK-LJQANCHMSA-N 0 3 426.542 2.948 50 0 IFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000096344257 569397005 /nfs/dbraw/zinc/39/70/05/569397005.db2.gz YFJYUYZYERXWEV-QGZVFWFLSA-N 0 3 435.503 2.836 50 0 IFAAHN CCOC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NC3CCCCC3)C(=O)N21 ZINC000002967975 569432969 /nfs/dbraw/zinc/43/29/69/569432969.db2.gz YNPXAMJZDOQDLI-QGZVFWFLSA-N 0 3 442.541 2.780 50 0 IFAAHN C[C@@H](CNC(=O)CCn1cnc2ccc(Br)cc2c1=O)N1CCC(C)CC1 ZINC000058169216 569449578 /nfs/dbraw/zinc/44/95/78/569449578.db2.gz OGHTUPDXLIFVGX-HNNXBMFYSA-N 0 3 435.366 2.786 50 0 IFAAHN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)NCc1ccccc1CN(C)C ZINC000058439316 569454770 /nfs/dbraw/zinc/45/47/70/569454770.db2.gz QSVQTGSRKSGLSZ-UHFFFAOYSA-N 0 3 432.590 2.575 50 0 IFAAHN CCN1CCC[C@@H]1CNC(=O)[C@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000031815238 569457892 /nfs/dbraw/zinc/45/78/92/569457892.db2.gz MMCQWVLEAZAZPW-DOTOQJQBSA-N 0 3 425.558 2.806 50 0 IFAAHN C[C@@H]1CN(C2CCN(C(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)C[C@H](C)O1 ZINC000040135639 569490723 /nfs/dbraw/zinc/49/07/23/569490723.db2.gz WHQIQMJLRWKJNF-ZAKOGJKOSA-N 0 3 431.621 2.809 50 0 IFAAHN Cc1ccccc1CN1CCCN(C(=O)[C@H](C)NS(=O)(=O)Cc2ccccc2)CC1 ZINC000040156201 569494143 /nfs/dbraw/zinc/49/41/43/569494143.db2.gz FAHOKVJVVQTMPX-FQEVSTJZSA-N 0 3 429.586 2.537 50 0 IFAAHN CCCN(CCC)CCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O ZINC000040450183 569506240 /nfs/dbraw/zinc/50/62/40/569506240.db2.gz TYRSXDPXPYKPNT-UHFFFAOYSA-N 0 3 446.411 2.758 50 0 IFAAHN O=C(CCCn1c(=O)c2cccn2c2cccnc21)NCCCN1CCc2ccccc2C1 ZINC000009117793 569503193 /nfs/dbraw/zinc/50/31/93/569503193.db2.gz YRLDGESDFJFXPQ-UHFFFAOYSA-N 0 3 443.551 2.994 50 0 IFAAHN COCCN(CCOC)C[C@H](O)COC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000009550248 569546693 /nfs/dbraw/zinc/54/66/93/569546693.db2.gz PMIOMZKXGWRFAW-NRFANRHFSA-N 0 3 433.545 2.766 50 0 IFAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccc(Oc4ncccn4)cc3)CC2)n1 ZINC000070655617 569550065 /nfs/dbraw/zinc/55/00/65/569550065.db2.gz APCMUBHYQVHUMW-UHFFFAOYSA-N 0 3 445.527 2.930 50 0 IFAAHN CCN(CC)CCn1c2c(c(SCC(=O)Nc3cccc(OC)c3)nc1=O)CCC2 ZINC000009745442 569565679 /nfs/dbraw/zinc/56/56/79/569565679.db2.gz ZVDAACPTXUCUDY-UHFFFAOYSA-N 0 3 430.574 2.813 50 0 IFAAHN CC(=O)N1CCCN(Cc2ccccc2OC[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC000012716153 519529711 /nfs/dbraw/zinc/52/97/11/519529711.db2.gz DZDQKNOKXJJBKY-VWLOTQADSA-N 0 3 437.584 2.539 50 0 IFAAHN CC(C)CC[C@@]1(C2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)NC(=O)N(CCN(C)C)C1=O ZINC000012157985 519687726 /nfs/dbraw/zinc/68/77/26/519687726.db2.gz BNXIJKJZHNSJKR-NTWACIBNSA-N 0 3 444.620 2.726 50 0 IFAAHN CCCCN(CCCNC(=O)CN(C)c1nnc(N2CCCC2=O)s1)Cc1ccco1 ZINC000021026193 520500375 /nfs/dbraw/zinc/50/03/75/520500375.db2.gz NNJWZFCHXVCKSS-UHFFFAOYSA-N 0 3 448.593 2.503 50 0 IFAAHN CCOc1ccc(-c2noc(N3CCC(C(=O)NCCN4CCCC4)CC3)n2)cc1OC ZINC000035375208 520829077 /nfs/dbraw/zinc/82/90/77/520829077.db2.gz KMMWZMGUERJDEG-UHFFFAOYSA-N 0 3 443.548 2.572 50 0 IFAAHN CCN(Cc1ccccc1)Cc1ccc(OC)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000020599138 521371027 /nfs/dbraw/zinc/37/10/27/521371027.db2.gz OHJSXZSTPVUEED-HSZRJFAPSA-N 0 3 427.589 2.704 50 0 IFAAHN CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1 ZINC000012918918 521569691 /nfs/dbraw/zinc/56/96/91/521569691.db2.gz ZMDWPQHSXJNPAQ-UHFFFAOYSA-N 0 3 448.416 2.995 50 0 IFAAHN CCN1CCN(c2ccc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccccc3F)c(C)c2)CC1 ZINC000012522696 521699303 /nfs/dbraw/zinc/69/93/03/521699303.db2.gz BHQYIXHFEWSUKV-QGZVFWFLSA-N 0 3 448.564 2.582 50 0 IFAAHN CN(CCO)C(=O)c1cn([C@H]2CCCN(Cc3ccc4c(c3)Cc3ccccc3-4)C2)nn1 ZINC000012133415 522879343 /nfs/dbraw/zinc/87/93/43/522879343.db2.gz WJVUQPCCFBVKDW-NRFANRHFSA-N 0 3 431.540 2.751 50 0 IFAAHN CCn1c2ccc(C(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)cc2[nH]c(=O)c1=O ZINC000022680789 523261681 /nfs/dbraw/zinc/26/16/81/523261681.db2.gz HXVXHWHCLZXELO-IBGZPJMESA-N 0 3 440.569 2.974 50 0 IFAAHN COc1ccc(C(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)cc1OC ZINC000021793721 523649708 /nfs/dbraw/zinc/64/97/08/523649708.db2.gz FXISLUSKIWRULJ-UHFFFAOYSA-N 0 3 425.533 2.755 50 0 IFAAHN COc1ccc(C(=O)NCCc2nnc3n2CCN(CCCc2ccccc2)CC3)cc1 ZINC000012245683 523704563 /nfs/dbraw/zinc/70/45/63/523704563.db2.gz NEWNWJTYDNEXLP-UHFFFAOYSA-N 0 3 433.556 2.750 50 0 IFAAHN CN1CCCN(c2ccc(CNC(=O)c3ccc(NC(=O)c4ccco4)cc3)cn2)CC1 ZINC000058184337 523813429 /nfs/dbraw/zinc/81/34/29/523813429.db2.gz ASDDDDCAVPHENV-UHFFFAOYSA-N 0 3 433.512 2.999 50 0 IFAAHN COc1ccc(CN(C)Cc2cnccn2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000012587452 524008627 /nfs/dbraw/zinc/00/86/27/524008627.db2.gz WIFSHSXAWKNMPS-HSZRJFAPSA-N 0 3 436.556 2.989 50 0 IFAAHN CN(C)CC(C)(C)CNC(=O)c1cn(CC2CCCCC2)cc(C(=O)NC2CC2)c1=O ZINC000014993839 524046436 /nfs/dbraw/zinc/04/64/36/524046436.db2.gz KDEGIOGYYSULEL-UHFFFAOYSA-N 0 3 430.593 2.638 50 0 IFAAHN COc1cccc([C@@H](CNCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)N2CCCC2)c1 ZINC000022804923 524098191 /nfs/dbraw/zinc/09/81/91/524098191.db2.gz CWRNNFDPHSSPLM-NZQKXSOJSA-N 0 3 446.617 2.795 50 0 IFAAHN Cc1cc(C)c(OC[C@H](O)CN(CCO)C[C@@H](O)Cn2ccc3ccccc32)c(C)c1 ZINC000020807847 524312382 /nfs/dbraw/zinc/31/23/82/524312382.db2.gz CQQPPAXBZHIFBR-DHIUTWEWSA-N 0 3 426.557 2.662 50 0 IFAAHN Cc1cccc(CN2CCC(CNS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 ZINC000020904142 524385730 /nfs/dbraw/zinc/38/57/30/524385730.db2.gz YHPSRMOGRJHZFI-UHFFFAOYSA-N 0 3 429.542 2.516 50 0 IFAAHN c1cc2c(c(CN3CCC[C@H](N4CCN(Cc5ccc6c(c5)OCO6)CC4)C3)c1)OCO2 ZINC000020601144 526438120 /nfs/dbraw/zinc/43/81/20/526438120.db2.gz AAPAEUQGIOSHDO-NRFANRHFSA-N 0 3 437.540 2.926 50 0 IFAAHN Cc1nnsc1C(=O)N1CCC(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000012297917 526440827 /nfs/dbraw/zinc/44/08/27/526440827.db2.gz IVJVMMXZLKXKRO-HXUWFJFHSA-N 0 3 441.601 2.870 50 0 IFAAHN O=C1NC2(CCN(Cc3ccccc3)CC2)c2nnnn2-c2ccc(Br)cc21 ZINC000035622044 527060187 /nfs/dbraw/zinc/06/01/87/527060187.db2.gz BKTQOAATIPNNMM-UHFFFAOYSA-N 0 3 439.317 2.660 50 0 IFAAHN C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CNCCOc2cccnc2)C[C@H](C)O1 ZINC000011818993 556361140 /nfs/dbraw/zinc/36/11/40/556361140.db2.gz MLEZSRQACGCHRW-IYBDPMFKSA-N 0 3 443.935 2.801 50 0 IFAAHN O=C(CCC1CCN(C(=O)c2n[nH]c3c2CCC3)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000011820346 556361917 /nfs/dbraw/zinc/36/19/17/556361917.db2.gz WORYKARJQBKPCQ-OAQYLSRUSA-N 0 3 449.599 2.922 50 0 IFAAHN CCN(CC)[C@H]1CCN(C(=O)c2cn(C(C)C)cc(C(=O)NCc3ccccc3)c2=O)C1 ZINC000011910508 556375028 /nfs/dbraw/zinc/37/50/28/556375028.db2.gz SHVSTTFCNZSIKU-FQEVSTJZSA-N 0 3 438.572 2.916 50 0 IFAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)c2cnc3ccccn3c2=O)CC1 ZINC000012002923 556385957 /nfs/dbraw/zinc/38/59/57/556385957.db2.gz HIJREXUAXIPFDQ-UHFFFAOYSA-N 0 3 434.540 2.730 50 0 IFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1-n1cnnn1 ZINC000032646405 556412504 /nfs/dbraw/zinc/41/25/04/556412504.db2.gz LWLKNXDABJTXSM-UHFFFAOYSA-N 0 3 441.333 2.819 50 0 IFAAHN COC(=O)c1ccc(CN2CCC3(CC2)C(=O)N(CCc2ccccc2)C(=O)N3C)cc1 ZINC000014534415 556422597 /nfs/dbraw/zinc/42/25/97/556422597.db2.gz WPJGFBREFQBCOO-UHFFFAOYSA-N 0 3 435.524 2.945 50 0 IFAAHN COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cccc(OC)c1)CC2 ZINC000014733200 556437410 /nfs/dbraw/zinc/43/74/10/556437410.db2.gz UTJMFVISQPDNNC-UHFFFAOYSA-N 0 3 438.528 2.536 50 0 IFAAHN COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1ccc(O)cc1)CC2 ZINC000014740543 556438504 /nfs/dbraw/zinc/43/85/04/556438504.db2.gz TUQSIGIJRYFPMM-UHFFFAOYSA-N 0 3 437.540 2.880 50 0 IFAAHN O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NC[C@H]2CCCO2)CN(Cc2ccncc2)C1 ZINC000014749652 556443051 /nfs/dbraw/zinc/44/30/51/556443051.db2.gz ASRYGAOPAFTPJJ-NNMXDRDESA-N 0 3 440.519 2.593 50 0 IFAAHN COc1cccc(-n2c(CNC(=O)c3ccc(F)cc3)nnc2SCCN(C)C)c1 ZINC000014971901 556467256 /nfs/dbraw/zinc/46/72/56/556467256.db2.gz LUUZFSUQTANUOB-UHFFFAOYSA-N 0 3 429.521 2.999 50 0 IFAAHN COc1ccc(CC[C@@H](C)N2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1 ZINC000014976619 556469123 /nfs/dbraw/zinc/46/91/23/556469123.db2.gz FGAORUZLVMDWQM-LJQANCHMSA-N 0 3 448.571 2.534 50 0 IFAAHN COc1cc(CN2CCCC[C@H]2CCn2cc(C(=O)NC3CC3)nn2)cc(OC)c1OC ZINC000014981227 556470983 /nfs/dbraw/zinc/47/09/83/556470983.db2.gz HPPSKAPZUCMKOR-SFHVURJKSA-N 0 3 443.548 2.641 50 0 IFAAHN COc1ccc(CCN2C[C@H](C(=O)NC[C@@H](c3ccccc3)N(C)C)CC2=O)cc1OC ZINC000013130961 556480051 /nfs/dbraw/zinc/48/00/51/556480051.db2.gz NBHBYWWKRXIEAH-RTWAWAEBSA-N 0 3 439.556 2.514 50 0 IFAAHN CCOC(=O)c1ccc(N2C(=O)C[C@@H](NC3CCN(Cc4ccccc4)CC3)C2=O)cc1 ZINC000013372236 556503745 /nfs/dbraw/zinc/50/37/45/556503745.db2.gz PJSMLXNHQZCQEP-JOCHJYFZSA-N 0 3 435.524 2.749 50 0 IFAAHN CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000022937701 556506600 /nfs/dbraw/zinc/50/66/00/556506600.db2.gz QGFFOZRTQXCLKB-XMMPIXPASA-N 0 3 434.584 2.678 50 0 IFAAHN COc1ccc2c(c1)C[C@H](NC(=O)NCCCN1CCN(C3CCCCC3)CC1)CO2 ZINC000022938118 556508080 /nfs/dbraw/zinc/50/80/80/556508080.db2.gz FMVFMZZOSINUKF-FQEVSTJZSA-N 0 3 430.593 2.638 50 0 IFAAHN NC(=O)c1cc([C@@H](O)CNC[C@@H]2COc3ccccc3O2)ccc1OCc1ccccc1 ZINC000022589451 556578145 /nfs/dbraw/zinc/57/81/45/556578145.db2.gz MUDKZNGUXRBVIH-CTNGQTDRSA-N 0 3 434.492 2.828 50 0 IFAAHN Cc1ccc(NC(=O)c2nnc(COCC(=O)NCCN3CCCC[C@H]3C)s2)cc1 ZINC000032987484 556607669 /nfs/dbraw/zinc/60/76/69/556607669.db2.gz OCDCPDCZIBVSGN-MRXNPFEDSA-N 0 3 431.562 2.606 50 0 IFAAHN C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1F ZINC000252676181 556694429 /nfs/dbraw/zinc/69/44/29/556694429.db2.gz WGXOMGVFFROYDG-OXQOHEQNSA-N 0 3 433.549 2.716 50 0 IFAAHN C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1F ZINC000252676181 556694432 /nfs/dbraw/zinc/69/44/32/556694432.db2.gz WGXOMGVFFROYDG-OXQOHEQNSA-N 0 3 433.549 2.716 50 0 IFAAHN CC(C)c1ccc(CNC(=O)c2ccc(N3CCNCC3)c(NS(C)(=O)=O)c2)cc1 ZINC000033034450 556716769 /nfs/dbraw/zinc/71/67/69/556716769.db2.gz RBWYSEXMMOKZPC-UHFFFAOYSA-N 0 3 430.574 2.521 50 0 IFAAHN Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048243 556744123 /nfs/dbraw/zinc/74/41/23/556744123.db2.gz XIWWTUCMHFRUDU-UHFFFAOYSA-N 0 3 442.633 2.842 50 0 IFAAHN CC(C)CC(=O)N[C@@H](C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)C(C)C ZINC000058166282 556766481 /nfs/dbraw/zinc/76/64/81/556766481.db2.gz BWKPGIDAJORUFY-XUZZJYLKSA-N 0 3 443.636 2.629 50 0 IFAAHN O=C([C@@H]1CC(c2ccccc2)=NO1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058167926 556767019 /nfs/dbraw/zinc/76/70/19/556767019.db2.gz OOFROAOSUPSVCJ-OFNKIYASSA-N 0 3 433.556 2.635 50 0 IFAAHN Cc1nc2ccccc2nc1CS(=O)(=O)C(C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000058379657 556784331 /nfs/dbraw/zinc/78/43/31/556784331.db2.gz AENUCVWCEXPYEQ-WBVHZDCISA-N 0 3 425.510 2.882 50 0 IFAAHN CN1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)NC(=O)CCS4)cn2)CC1 ZINC000058441634 556789264 /nfs/dbraw/zinc/78/92/64/556789264.db2.gz DMQPZBLBVXRCTR-UHFFFAOYSA-N 0 3 425.558 2.588 50 0 IFAAHN CCN1CCN(Cc2ccc(CNC(=O)c3ccccc3S(=O)(=O)CC)cc2)CC1 ZINC000059060657 556794576 /nfs/dbraw/zinc/79/45/76/556794576.db2.gz VZXCKBWWBAYGPR-UHFFFAOYSA-N 0 3 429.586 2.548 50 0 IFAAHN COc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccc(OCCO)cc3)C2)CC1 ZINC000019635483 556834758 /nfs/dbraw/zinc/83/47/58/556834758.db2.gz DTMGVDWBNKLNRX-JOCHJYFZSA-N 0 3 425.573 2.853 50 0 IFAAHN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 ZINC000067604284 556843544 /nfs/dbraw/zinc/84/35/44/556843544.db2.gz XZGBMPOZQOPVHM-UHFFFAOYSA-N 0 3 446.573 2.655 50 0 IFAAHN O=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCN(c2ccncc2)CC1 ZINC000033129019 556866156 /nfs/dbraw/zinc/86/61/56/556866156.db2.gz SGNBUITXZBDCBZ-UHFFFAOYSA-N 0 3 425.552 2.766 50 0 IFAAHN CCN1CCN(C[C@H](O)COc2ccc(CNCc3cccc(F)c3)cc2OC)CC1 ZINC000019741579 556884153 /nfs/dbraw/zinc/88/41/53/556884153.db2.gz UNEMSWZRUHIWCH-QFIPXVFZSA-N 0 3 431.552 2.501 50 0 IFAAHN O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCCN1CCCCC1 ZINC000033254675 556891139 /nfs/dbraw/zinc/89/11/39/556891139.db2.gz HUVWTWOZRLALNR-UHFFFAOYSA-N 0 3 427.998 2.733 50 0 IFAAHN C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CNCCc2ccccn2)C[C@H](C)O1 ZINC000019758338 556902066 /nfs/dbraw/zinc/90/20/66/556902066.db2.gz OJXOGIGVVYSCFS-IYBDPMFKSA-N 0 3 427.936 2.964 50 0 IFAAHN Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CC[NH2+]CC3)c(C(=O)NCC(C)C)c2)c(C)c1 ZINC000033275419 557054430 /nfs/dbraw/zinc/05/44/30/557054430.db2.gz FGURXVIJYZGUOQ-UHFFFAOYSA-N 0 3 444.601 2.900 50 0 IFAAHN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000022961926 557054881 /nfs/dbraw/zinc/05/48/81/557054881.db2.gz WBMCDQRDTOUATK-QHCPKHFHSA-N 0 3 441.597 2.544 50 0 IFAAHN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NCCN3CCCCCC3)C2)c1C ZINC000085620901 557102611 /nfs/dbraw/zinc/10/26/11/557102611.db2.gz CTNZDIZOUUWMPW-LJQANCHMSA-N 0 3 446.592 2.653 50 0 IFAAHN O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1CN1CCN(c2ccncc2)CC1 ZINC000023848018 557120628 /nfs/dbraw/zinc/12/06/28/557120628.db2.gz WNGJNRUBFHAFIM-SANMLTNESA-N 0 3 441.535 2.851 50 0 IFAAHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004791820 557125503 /nfs/dbraw/zinc/12/55/03/557125503.db2.gz LSLXTBQKBXEZKX-OALUTQOASA-N 0 3 448.567 2.925 50 0 IFAAHN CC(=O)N(CCCn1ccnc1)C1(C(=O)Nc2ccc3c(ccn3C)c2)CCN(C)CC1 ZINC000033592252 557415853 /nfs/dbraw/zinc/41/58/53/557415853.db2.gz DDQREQHSDDJVIU-UHFFFAOYSA-N 0 3 436.560 2.717 50 0 IFAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN(C)C)N2[C@@H]1c1ccccc1OC ZINC000103408201 557435960 /nfs/dbraw/zinc/43/59/60/557435960.db2.gz XCMQIPMECOAHKR-HXUWFJFHSA-N 0 3 444.557 2.511 50 0 IFAAHN COC(=O)C1C(CN2CCN(C3CCCCC3)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318356 557469845 /nfs/dbraw/zinc/46/98/45/557469845.db2.gz IRJDNGXKISATNW-QFIPXVFZSA-N 0 3 426.561 2.726 50 0 IFAAHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000040150043 557703787 /nfs/dbraw/zinc/70/37/87/557703787.db2.gz VKIXIZOGQGDBQR-HXUWFJFHSA-N 0 3 430.574 2.929 50 0 IFAAHN C[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)N(C)C1CCN(C)CC1 ZINC000003310136 562934064 /nfs/dbraw/zinc/93/40/64/562934064.db2.gz XHNFEZPKWCWRQW-NSHDSACASA-N 0 3 441.903 2.578 50 0 IFAAHN CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCN2CCC(Cc3ccccc3)CC2)C1 ZINC000004111160 562942062 /nfs/dbraw/zinc/94/20/62/562942062.db2.gz IMUYRHYEPBBRIX-JOCHJYFZSA-N 0 3 435.634 2.509 50 0 IFAAHN O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000006577242 562947535 /nfs/dbraw/zinc/94/75/35/562947535.db2.gz XFCXXJFUWKEXKR-UHFFFAOYSA-N 0 3 434.540 2.641 50 0 aggregator IFAAHN COC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3cc(C)ccc3C)CC2)cn1C ZINC000009301176 562969102 /nfs/dbraw/zinc/96/91/02/562969102.db2.gz WWNPPBAHFNJMNK-UHFFFAOYSA-N 0 3 433.574 2.619 50 0 IFAAHN CCOc1ccc(S(=O)(=O)NCCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000009671475 562975096 /nfs/dbraw/zinc/97/50/96/562975096.db2.gz OFMWKKISVRUFGC-UHFFFAOYSA-N 0 3 445.585 2.535 50 0 IFAAHN CCCCN(C(=O)CN1CCC[C@@H]2CCC[C@H](C)[C@@H]21)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000106141846 568625120 /nfs/dbraw/zinc/62/51/20/568625120.db2.gz WFTCTBMYTZPMNR-LNLFQRSKSA-N 0 3 433.597 2.563 50 0 IFAAHN Cn1c2ccc([C@H](O)COc3ccc(CNCCOc4ccccn4)cc3)cc2n(C)c1=O ZINC000248066847 568633795 /nfs/dbraw/zinc/63/37/95/568633795.db2.gz WJCAKPDHECIXFN-HSZRJFAPSA-N 0 3 448.523 2.553 50 0 IFAAHN Cc1cc(CN2CCC(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)c(C)o1 ZINC000043972861 568744768 /nfs/dbraw/zinc/74/47/68/568744768.db2.gz IXDIROCFVZSBRK-UHFFFAOYSA-N 0 3 433.574 2.789 50 0 IFAAHN CCCCOc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1 ZINC000015671225 568802311 /nfs/dbraw/zinc/80/23/11/568802311.db2.gz OLABQUWJLAMTCW-UHFFFAOYSA-N 0 3 433.578 2.541 50 0 IFAAHN Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)n1 ZINC000015825169 568840507 /nfs/dbraw/zinc/84/05/07/568840507.db2.gz NIHUBAJHLHGSNI-UHFFFAOYSA-N 0 3 429.956 2.544 50 0 IFAAHN O=C(c1ccc(OC(F)F)cc1)C(C(=S)[N-]CCN1CCOCC1)[n+]1ccccc1 ZINC000025228900 568895477 /nfs/dbraw/zinc/89/54/77/568895477.db2.gz PGYBFILOODCSAF-UHFFFAOYSA-O 0 3 436.504 2.709 50 0 IFAAHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)NC(=O)NCc2ccco2)[C@H]2CCCC[C@@H]12 ZINC000241587903 568912378 /nfs/dbraw/zinc/91/23/78/568912378.db2.gz OYBLANNHSRRSGN-HNULKUCHSA-N 0 3 432.565 2.789 50 0 IFAAHN CN(C)CCn1c2c3c(sc2c(=O)n(CCc2ccccc2)c1=O)CC(C)(C)OC3 ZINC000006764379 568978834 /nfs/dbraw/zinc/97/88/34/568978834.db2.gz FOANGKYXPWSQSO-UHFFFAOYSA-N 0 3 427.570 2.880 50 0 IFAAHN CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(CN4CCCC4)c3)C2)c1 ZINC000064958074 568999283 /nfs/dbraw/zinc/99/92/83/568999283.db2.gz FETADDHMKAVFRQ-IBGZPJMESA-N 0 3 445.589 2.538 50 0 IFAAHN COc1ccc(C(=O)Nc2cnc(N3CCNCC3)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000065025423 569090675 /nfs/dbraw/zinc/09/06/75/569090675.db2.gz IBLMTWIXMPHRTP-UHFFFAOYSA-N 0 3 437.544 2.624 50 0 IFAAHN COc1ccc([C@H]2CCCCCN2CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1 ZINC000036384052 569092786 /nfs/dbraw/zinc/09/27/86/569092786.db2.gz FNGZRGLXURCRQV-JOCHJYFZSA-N 0 3 444.620 2.671 50 0 IFAAHN C[C@H](C(=O)NCCN1CCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062293 569097500 /nfs/dbraw/zinc/09/75/00/569097500.db2.gz CBLCOIJASUIFLJ-AWEZNQCLSA-N 0 3 434.027 2.650 50 0 IFAAHN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCC(C)(C)N2CCc3ccccc3C2)cc1 ZINC000036397130 569100129 /nfs/dbraw/zinc/10/01/29/569100129.db2.gz FDUAKCIKOGHYFJ-GOSISDBHSA-N 0 3 429.586 2.615 50 0 IFAAHN CCc1nc2c(c(=O)n1CC(=O)NCc1ccc(C)cc1)CN(Cc1ccccc1)CC2 ZINC000065153522 569111942 /nfs/dbraw/zinc/11/19/42/569111942.db2.gz QRJOANRYQHEHPS-UHFFFAOYSA-N 0 3 430.552 2.989 50 0 IFAAHN CC(C)c1nc(-c2cccnc2SCC(=O)N2CCN(C3CCN(C)CC3)CC2)no1 ZINC000065211378 569116446 /nfs/dbraw/zinc/11/64/46/569116446.db2.gz DSYUQAKXUUSOPF-UHFFFAOYSA-N 0 3 444.605 2.586 50 0 IFAAHN O=C(NCc1cnn(-c2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2)c1)C1CC1 ZINC000065213154 569116887 /nfs/dbraw/zinc/11/68/87/569116887.db2.gz SMPULRXESIKDQK-UHFFFAOYSA-N 0 3 435.572 2.989 50 0 IFAAHN CN(C)CCNC(=O)CN(C)C(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000037427347 569195931 /nfs/dbraw/zinc/19/59/31/569195931.db2.gz UDAOLLAVQMCYPN-UHFFFAOYSA-N 0 3 429.468 2.655 50 0 IFAAHN CN(C)CCN(C[C@@H]1CN(C(=O)c2ccc(F)cc2)CCO1)C(=O)c1ccc(F)cc1 ZINC000037609439 569202913 /nfs/dbraw/zinc/20/29/13/569202913.db2.gz ZTYKTEISCBIULR-OAQYLSRUSA-N 0 3 431.483 2.510 50 0 IFAAHN COc1ccc(C(=O)N2CCC3(CC2)C[C@H](N2CCN(C(C)C)CC2)CCO3)c(OC)c1 ZINC000581820231 569211911 /nfs/dbraw/zinc/21/19/11/569211911.db2.gz ZVPDWSNSLYURGJ-HXUWFJFHSA-N 0 3 445.604 2.884 50 0 IFAAHN COC(=O)C1CCN(CCCNC(=O)c2ccc(C)c(I)c2)CC1 ZINC000095348994 569361615 /nfs/dbraw/zinc/36/16/15/569361615.db2.gz ZNZHXOVDFYCOGZ-UHFFFAOYSA-N 0 3 444.313 2.605 50 0 IFAAHN CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCCN4CCN(C)CC4)C3)sc2c1 ZINC000020383556 569362746 /nfs/dbraw/zinc/36/27/46/569362746.db2.gz HZDZNILIUSYJQU-SFHVURJKSA-N 0 3 445.633 2.665 50 0 IFAAHN COc1ccc(C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)nc1I ZINC000095444726 569367125 /nfs/dbraw/zinc/36/71/25/569367125.db2.gz JQAWFGOOTOGFCJ-FRRDWIJNSA-N 0 3 431.318 2.791 50 0 IFAAHN O=C(NCc1ccccc1CN1CCC[C@@H]1CO)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000096011736 569379916 /nfs/dbraw/zinc/37/99/16/569379916.db2.gz BGSKLVSNAOEQGL-DNVJHFABSA-N 0 3 427.589 2.688 50 0 IFAAHN O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000096230907 569387428 /nfs/dbraw/zinc/38/74/28/569387428.db2.gz AHGLDBDJWXRFGQ-QFIPXVFZSA-N 0 3 434.540 2.668 50 0 IFAAHN C[C@H]1CCCCN1CCNC(=O)c1ccc2c(c1)nc1n2CCN(Cc2ccccn2)C1=O ZINC000096372495 569397942 /nfs/dbraw/zinc/39/79/42/569397942.db2.gz YLCIZOZOGYYEIF-SFHVURJKSA-N 0 3 446.555 2.692 50 0 IFAAHN Cn1ncc2c3ccccc3n(CC(=O)NC3CCN(Cc4ccccc4)CC3)c2c1=O ZINC000096399009 569399837 /nfs/dbraw/zinc/39/98/37/569399837.db2.gz LPZWNOGMKNERHY-UHFFFAOYSA-N 0 3 429.524 2.669 50 0 IFAAHN Cc1nn(CC(=O)NCCN2CCCC[C@@H]2C)c(=O)c2nc(-c3ccccc3)sc21 ZINC000096400180 569400356 /nfs/dbraw/zinc/40/03/56/569400356.db2.gz AOOLEIAQZGOAGI-HNNXBMFYSA-N 0 3 425.558 2.819 50 0 IFAAHN CCN1CCN(c2ccc(NC(=O)CN3CCN(Cc4ccccc4)CC3)cc2C)CC1 ZINC000057948782 569443369 /nfs/dbraw/zinc/44/33/69/569443369.db2.gz ZWZRGNJXHNNYFT-UHFFFAOYSA-N 0 3 435.616 2.893 50 0 IFAAHN Cc1ccc(S(=O)(=O)N(C)c2nc3ccccc3nc2N2CCCN(C)CC2)cc1 ZINC000003448995 569451566 /nfs/dbraw/zinc/45/15/66/569451566.db2.gz VBOJGGXJPWRCRY-UHFFFAOYSA-N 0 3 425.558 2.905 50 0 IFAAHN Cc1nc(NCCNC(=O)COc2ccc(Cl)cc2Cl)cc(N2CCOCC2)n1 ZINC000038488296 569463032 /nfs/dbraw/zinc/46/30/32/569463032.db2.gz IPOLACYMCCAJLG-UHFFFAOYSA-N 0 3 440.331 2.536 50 0 IFAAHN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)NCCCN1CCOCC1)C[C@H](C)CC2 ZINC000008709271 569470722 /nfs/dbraw/zinc/47/07/22/569470722.db2.gz LTTHSDCYRHEPRZ-CVEARBPZSA-N 0 3 437.606 2.689 50 0 IFAAHN C[C@H]1CN(C2CCN(C(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)C[C@H](C)O1 ZINC000040135640 569490683 /nfs/dbraw/zinc/49/06/83/569490683.db2.gz WHQIQMJLRWKJNF-NKQFANSYSA-N 0 3 431.621 2.809 50 0 IFAAHN Cc1[nH]c(C(=O)NCc2ccc(N3CCCN(C)CC3)nc2)c(C)c1C(=O)OC(C)C ZINC000040152041 569493383 /nfs/dbraw/zinc/49/33/83/569493383.db2.gz ZZFWELMOPYOKQG-UHFFFAOYSA-N 0 3 427.549 2.664 50 0 IFAAHN COc1cccc(N2CCN(C3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)CC2)c1 ZINC000244975253 569496687 /nfs/dbraw/zinc/49/66/87/569496687.db2.gz IIGMXHOLBDQBJK-DEOSSOPVSA-N 0 3 437.540 2.648 50 0 IFAAHN O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCCCC1)NC[C@H]1CCCO1 ZINC000009473082 569539058 /nfs/dbraw/zinc/53/90/58/569539058.db2.gz RXDDTLIIRLNBIG-GOSISDBHSA-N 0 3 444.601 2.660 50 0 IFAAHN CN1CCC2(CC1)C[C@@H](NC(=O)CCc1nc3ccccc3c(=O)[nH]1)c1ccccc1O2 ZINC000009494141 569540881 /nfs/dbraw/zinc/54/08/81/569540881.db2.gz RBTDROBTCLRASB-HXUWFJFHSA-N 0 3 432.524 2.960 50 0 IFAAHN CCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC ZINC000009637908 569554948 /nfs/dbraw/zinc/55/49/48/569554948.db2.gz UVZXHNJLGGEJKM-SFHVURJKSA-N 0 3 443.569 2.661 50 0 IFAAHN Cc1nc(SCc2ccc(C(=O)NCCN(C)C)cc2)nc(N2CCOCC2)c1C ZINC000006869058 132279811 /nfs/dbraw/zinc/27/98/11/132279811.db2.gz RCMKLMNUXXBXEQ-UHFFFAOYSA-N 0 3 429.590 2.514 50 0 IFAAHN CC1CCN(CCNC(=O)[C@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)CC1 ZINC000009211127 132308949 /nfs/dbraw/zinc/30/89/49/132308949.db2.gz TUIBRTRLXAMDLS-IBGZPJMESA-N 0 3 439.608 2.617 50 0 IFAAHN CCCN1CCN(CCCNC(=O)c2ccc(C[S@](=O)c3ccc(F)cc3)o2)CC1 ZINC000020515081 519858307 /nfs/dbraw/zinc/85/83/07/519858307.db2.gz KECRBCHCNZREEV-SSEXGKCCSA-N 0 3 435.565 2.874 50 0 IFAAHN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)C[C@H]2CN(C)CCN2C)CC1 ZINC000022892461 520458979 /nfs/dbraw/zinc/45/89/79/520458979.db2.gz XYEVPSAARMLIEA-QFIPXVFZSA-N 0 3 429.605 2.817 50 0 IFAAHN CCOC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000020557869 520514954 /nfs/dbraw/zinc/51/49/54/520514954.db2.gz WEEDSTHUSILZQA-QFIPXVFZSA-N 0 3 444.551 2.947 50 0 IFAAHN CCOC(=O)C1CCN(C2CCN(C(=O)c3cn(Cc4ccccc4C)nn3)CC2)CC1 ZINC000012593796 520573516 /nfs/dbraw/zinc/57/35/16/520573516.db2.gz KMEZECUKWRPSEY-UHFFFAOYSA-N 0 3 439.560 2.515 50 0 IFAAHN CCOc1cc(CNCc2ccc(CN3CCOCC3)cc2)ccc1OCC(=O)N(C)C ZINC000021841796 520722608 /nfs/dbraw/zinc/72/26/08/520722608.db2.gz CXTWKFGJUWIWFL-UHFFFAOYSA-N 0 3 441.572 2.674 50 0 IFAAHN CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccccc2CN(C)C)ccc1OC ZINC000021938323 520781941 /nfs/dbraw/zinc/78/19/41/520781941.db2.gz DTRHFRDDGYYCLF-UHFFFAOYSA-N 0 3 433.574 2.717 50 0 IFAAHN CC1=C(C(=O)N2CCC(CCC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)OCCO1 ZINC000012707644 520793629 /nfs/dbraw/zinc/79/36/29/520793629.db2.gz FRUFXPVAZYVYKU-JOCHJYFZSA-N 0 3 441.572 2.674 50 0 IFAAHN CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCCN3CCCC[C@@H]3C)n2C)c1 ZINC000035561079 520814927 /nfs/dbraw/zinc/81/49/27/520814927.db2.gz CFPHYWPMLSVLAG-KRWDZBQOSA-N 0 3 434.606 2.813 50 0 IFAAHN CCCc1ccc(S(=O)(=O)[N-]c2ccc(N3CC[NH2+]CC3)c(C(=O)NC(C)C)c2)cc1 ZINC000021664338 521412285 /nfs/dbraw/zinc/41/22/85/521412285.db2.gz VWIMZARMKJGFCQ-UHFFFAOYSA-N 0 3 444.601 2.988 50 0 IFAAHN CCN1CCN(CCCNC(=O)CC2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CC1 ZINC000035561898 521679818 /nfs/dbraw/zinc/67/98/18/521679818.db2.gz GIAMSTZDSFSYDX-UHFFFAOYSA-N 0 3 439.604 2.554 50 0 IFAAHN CCN1CCN(Cc2ccc(OC)c(OC[C@@H](O)CN(C)Cc3ccccc3)c2)CC1 ZINC000020536394 521689367 /nfs/dbraw/zinc/68/93/67/521689367.db2.gz DSODQMIMHXMCIX-QHCPKHFHSA-N 0 3 427.589 2.704 50 0 IFAAHN COc1cc(CNCc2cccc(Cl)c2)ccc1OC[C@H](O)CN1CCC(O)CC1 ZINC000012580467 522467166 /nfs/dbraw/zinc/46/71/66/522467166.db2.gz FKIDTFMHYYBSCD-OAQYLSRUSA-N 0 3 434.964 2.835 50 0 IFAAHN CCc1nccn1CCC(=O)N1CCC[C@H](N2CCN(c3ccccc3OC)CC2)C1 ZINC000012445114 522583215 /nfs/dbraw/zinc/58/32/15/522583215.db2.gz DGWRUXIZIAMRQD-FQEVSTJZSA-N 0 3 425.577 2.657 50 0 IFAAHN CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1ccc(=O)n(C)n1 ZINC000012094330 522658864 /nfs/dbraw/zinc/65/88/64/522658864.db2.gz VWCOLGJYJMZYSP-UHFFFAOYSA-N 0 3 436.478 2.826 50 0 IFAAHN CCc1nn(CCCC(=O)NCCN2CCCC[C@@H]2C)c(=O)c2cc3oc(C)cc3n21 ZINC000020862496 522705557 /nfs/dbraw/zinc/70/55/57/522705557.db2.gz XGWJXTZTUDAMFA-INIZCTEOSA-N 0 3 427.549 2.884 50 0 IFAAHN CN(CCCNC(=O)Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)Cc1ccccc1 ZINC000020574327 522759669 /nfs/dbraw/zinc/75/96/69/522759669.db2.gz CSBBYRAZFBVLQK-UHFFFAOYSA-N 0 3 449.486 2.829 50 0 IFAAHN CN(CCNC(=O)CCCn1c2ccccc2c2cnn(C)c(=O)c21)Cc1ccccc1 ZINC000035397010 522846299 /nfs/dbraw/zinc/84/62/99/522846299.db2.gz MMHMKHXUFCLFKK-UHFFFAOYSA-N 0 3 431.540 2.917 50 0 IFAAHN CCn1c2nnc(CCC(=O)N3CCN(C4CCCCC4)CC3)n2c2ccsc2c1=O ZINC000035528456 523296918 /nfs/dbraw/zinc/29/69/18/523296918.db2.gz CKAHHUZKMONCSF-UHFFFAOYSA-N 0 3 442.589 2.535 50 0 IFAAHN CCn1ccnc1CN1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 ZINC000012302893 523530275 /nfs/dbraw/zinc/53/02/75/523530275.db2.gz YDZBOQOBRHMZRF-UHFFFAOYSA-N 0 3 433.984 2.891 50 0 IFAAHN COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cc(-c3ccc(C)o3)n[n-]2)CC1 ZINC000012300440 523811856 /nfs/dbraw/zinc/81/18/56/523811856.db2.gz JOBMYKJLDGPOTK-IBGZPJMESA-N 0 3 430.549 2.958 50 0 IFAAHN COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2cc3c(nc2OC)CCC3)CC1 ZINC000012718952 523813188 /nfs/dbraw/zinc/81/31/88/523813188.db2.gz LARCDFOEYBRIFW-HXUWFJFHSA-N 0 3 431.577 2.559 50 0 IFAAHN COc1ccc(CN(C)Cc2ccccc2Cl)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000020538634 524005915 /nfs/dbraw/zinc/00/59/15/524005915.db2.gz YUGZWHVTHTXEAS-NRFANRHFSA-N 0 3 448.007 2.968 50 0 IFAAHN COc1ccc(CN(C)Cc2ccccc2Cl)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000020600296 524006236 /nfs/dbraw/zinc/00/62/36/524006236.db2.gz SJBCXGHCQUJWAP-OAQYLSRUSA-N 0 3 448.007 2.968 50 0 IFAAHN COc1ccc(CN(C)Cc2cnccn2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000012587446 524008486 /nfs/dbraw/zinc/00/84/86/524008486.db2.gz WIFSHSXAWKNMPS-QHCPKHFHSA-N 0 3 436.556 2.989 50 0 IFAAHN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)N[C@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000035804926 524020523 /nfs/dbraw/zinc/02/05/23/524020523.db2.gz YRMOPAGMKRTMFB-HJJDGDTKSA-N 0 3 447.535 2.889 50 0 IFAAHN COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCN(C2CCCCC2)CC1 ZINC000020358526 524023641 /nfs/dbraw/zinc/02/36/41/524023641.db2.gz LGWKUIYXXYLSPN-UHFFFAOYSA-N 0 3 428.533 2.852 50 0 IFAAHN COc1ccc(CN2CCC(n3cc(C(=O)N4CCOCC4)nn3)CC2)c2ccccc12 ZINC000012454996 524025217 /nfs/dbraw/zinc/02/52/17/524025217.db2.gz HUZYDSWCUHWKEK-UHFFFAOYSA-N 0 3 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ZINC000022611179 526511629 /nfs/dbraw/zinc/51/16/29/526511629.db2.gz NZZMLONBGQAAMD-CPNJWEJPSA-N 0 3 427.570 2.701 50 0 IFAAHN O=C(COc1ccc(N2CCN(C3CCCCC3)CC2)nn1)NCCc1ccccc1F ZINC000020994526 526962681 /nfs/dbraw/zinc/96/26/81/526962681.db2.gz XLHMMOZPBKAZIY-UHFFFAOYSA-N 0 3 441.551 2.808 50 0 IFAAHN O=C(C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)N1CCN(C2CCCC2)CC1 ZINC000020450885 527151781 /nfs/dbraw/zinc/15/17/81/527151781.db2.gz MGSRIGOSJQOCCF-DEOSSOPVSA-N 0 3 434.584 2.617 50 0 IFAAHN O=c1ccc2cc(S(=O)(=O)N3CCC[C@H](CN4CCc5ccccc5C4)C3)ccc2[nH]1 ZINC000021113508 527487823 /nfs/dbraw/zinc/48/78/23/527487823.db2.gz AEYLJXKIZHVCCT-GOSISDBHSA-N 0 3 437.565 2.987 50 0 IFAAHN COC(=O)CC(=O)N1C[C@@H](CN2CCN(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000034697697 555811481 /nfs/dbraw/zinc/81/14/81/555811481.db2.gz HSMCYPGVCAFSLR-NFBKMPQASA-N 0 3 439.531 2.753 50 0 IFAAHN COC(=O)CC(=O)N1C[C@@H](CN2CCN(c3ccc(F)cc3)CC2)[C@H](c2ccccc2)C1 ZINC000034697695 555811535 /nfs/dbraw/zinc/81/15/35/555811535.db2.gz 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CC(C)CC[C@@]1(C2CCN(C(=O)[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)NC(=O)N(CCN(C)C)C1=O ZINC000012035057 556389429 /nfs/dbraw/zinc/38/94/29/556389429.db2.gz BNXIJKJZHNSJKR-JCYRRQQNSA-N 0 3 444.620 2.726 50 0 IFAAHN CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CCCCC1 ZINC000014197984 556389507 /nfs/dbraw/zinc/38/95/07/556389507.db2.gz UNFBECTZZRJZRN-UHFFFAOYSA-N 0 3 425.570 2.607 50 0 IFAAHN O=C(NCCN1CCCC1)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1 ZINC000012041777 556391031 /nfs/dbraw/zinc/39/10/31/556391031.db2.gz VJYHFALNMUJSEG-UHFFFAOYSA-N 0 3 446.511 2.761 50 0 IFAAHN COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(OC)c3ccccc13)CC2 ZINC000012055345 556393849 /nfs/dbraw/zinc/39/38/49/556393849.db2.gz BOUNXXUMSUYNMK-KRWDZBQOSA-N 0 3 437.544 2.712 50 0 IFAAHN CN1CCC[C@@H](CNC(=O)c2cc(NC3CCC3)cc(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000014541992 556426098 /nfs/dbraw/zinc/42/60/98/556426098.db2.gz COCQXLWIPXLPHT-INIZCTEOSA-N 0 3 436.622 2.799 50 0 IFAAHN COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc(O)cc1)CC2 ZINC000014731692 556436648 /nfs/dbraw/zinc/43/66/48/556436648.db2.gz ZZMUUKHJUJLGNN-UHFFFAOYSA-N 0 3 438.528 2.623 50 0 IFAAHN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1ccc(F)c(F)c1)C2 ZINC000014732719 556437193 /nfs/dbraw/zinc/43/71/93/556437193.db2.gz OQPKINVPLFMZFK-KRWDZBQOSA-N 0 3 432.515 2.937 50 0 IFAAHN COc1ccc(-c2nnc(N3CCC(C(=O)NCCN4CCCCCC4)CC3)o2)cc1 ZINC000065229792 556437821 /nfs/dbraw/zinc/43/78/21/556437821.db2.gz SOQAONFHNZCFRS-UHFFFAOYSA-N 0 3 427.549 2.954 50 0 IFAAHN COc1ccc(CN2CCC3(CC[C@H](CNC(=O)[C@H]4CCCO4)O3)CC2)c(OC)c1C ZINC000014883590 556454645 /nfs/dbraw/zinc/45/46/45/556454645.db2.gz ADYCOUFTJMAKOC-TZIWHRDSSA-N 0 3 432.561 2.821 50 0 IFAAHN COc1ccc(CN2CCC3(CC[C@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c(OC)c1C ZINC000014883581 556454771 /nfs/dbraw/zinc/45/47/71/556454771.db2.gz ADYCOUFTJMAKOC-CTNGQTDRSA-N 0 3 432.561 2.821 50 0 IFAAHN O=C1C[C@H](N2CCC(N3CCN(c4ccc(F)cc4)CC3)CC2)C(=O)N1c1ccccc1 ZINC000014944099 556459476 /nfs/dbraw/zinc/45/94/76/556459476.db2.gz IFDYZNHAAXEGOF-QHCPKHFHSA-N 0 3 436.531 2.744 50 0 IFAAHN CCOc1ccc(N2C(=O)C[C@H](NC3CCN(C(=O)c4cccc(F)c4)CC3)C2=O)cc1 ZINC000014944092 556459551 /nfs/dbraw/zinc/45/95/51/556459551.db2.gz ZIQDYONDGXTCIQ-NRFANRHFSA-N 0 3 439.487 2.751 50 0 IFAAHN COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cnn(Cc3ccccc3)c2)CC1 ZINC000014956324 556462291 /nfs/dbraw/zinc/46/22/91/556462291.db2.gz CXIXPVWAVVYWLV-DEOSSOPVSA-N 0 3 440.588 2.911 50 0 IFAAHN COCCNC(=O)c1ccc(OC2CCN([C@@H](C)CCC(=O)OC)CC2)c(Cl)c1 ZINC000014960754 556463838 /nfs/dbraw/zinc/46/38/38/556463838.db2.gz CFTWYYRCGWWZHT-HNNXBMFYSA-N 0 3 426.941 2.901 50 0 IFAAHN COc1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000029090709 556467083 /nfs/dbraw/zinc/46/70/83/556467083.db2.gz ZHHDRUXRKHDUES-INIZCTEOSA-N 0 3 435.590 2.615 50 0 IFAAHN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC[C@@H](C)CN3CCN(C)CC3)c12 ZINC000072283835 556474638 /nfs/dbraw/zinc/47/46/38/556474638.db2.gz YLPVPFKEMDNNQQ-MRXNPFEDSA-N 0 3 426.609 2.985 50 0 IFAAHN COc1ccc2c(c1)O[C@H](C)C[N@@H+](CCC(=O)NCCc1nnc(-c3ccccc3)[n-]1)C2 ZINC000015006170 556481646 /nfs/dbraw/zinc/48/16/46/556481646.db2.gz BTCXWBBBPAQBMW-QGZVFWFLSA-N 0 3 435.528 2.812 50 0 IFAAHN COc1ccc2c(c1)O[C@H](C)C[N@H+](CCC(=O)NCCc1nnc(-c3ccccc3)[n-]1)C2 ZINC000015006170 556481649 /nfs/dbraw/zinc/48/16/49/556481649.db2.gz BTCXWBBBPAQBMW-QGZVFWFLSA-N 0 3 435.528 2.812 50 0 IFAAHN COc1ccc2c(c1)O[C@H](C)CN(CCC(=O)NCCc1nc(-c3ccccc3)n[nH]1)C2 ZINC000015006170 556481652 /nfs/dbraw/zinc/48/16/52/556481652.db2.gz BTCXWBBBPAQBMW-QGZVFWFLSA-N 0 3 435.528 2.812 50 0 IFAAHN O[C@H](COCc1ccco1)CN(Cc1ccc(F)cc1)C[C@H](O)COCc1ccco1 ZINC000013149397 556491026 /nfs/dbraw/zinc/49/10/26/556491026.db2.gz UCWAFPKSDIPGHA-SFTDATJTSA-N 0 3 433.476 2.969 50 0 IFAAHN COC(=O)C1CCN(C[C@H](O)COc2ccc(CNCc3ccc(F)cc3)cc2)CC1 ZINC000015069604 556494625 /nfs/dbraw/zinc/49/46/25/556494625.db2.gz WBHXUVBMBGNQBK-QFIPXVFZSA-N 0 3 430.520 2.740 50 0 IFAAHN COc1ccc(CCN[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000013590127 556529028 /nfs/dbraw/zinc/52/90/28/556529028.db2.gz GXQFJILSFNVXPG-INIZCTEOSA-N 0 3 433.302 2.931 50 0 IFAAHN COc1cc(OC)cc(C(=O)N[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C(C)C)c1 ZINC000032986431 556605956 /nfs/dbraw/zinc/60/59/56/556605956.db2.gz NEBZSJIUDGVDKL-NZQKXSOJSA-N 0 3 439.556 2.849 50 0 IFAAHN COc1cc(OC)cc(C(=O)N[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C(C)C)c1 ZINC000032986426 556606034 /nfs/dbraw/zinc/60/60/34/556606034.db2.gz NEBZSJIUDGVDKL-NFBKMPQASA-N 0 3 439.556 2.849 50 0 IFAAHN Cc1ccc(NC(=O)c2nnc(COCC(=O)NCCN3CCCC[C@@H]3C)s2)cc1 ZINC000032987485 556607666 /nfs/dbraw/zinc/60/76/66/556607666.db2.gz OCDCPDCZIBVSGN-INIZCTEOSA-N 0 3 431.562 2.606 50 0 IFAAHN Cc1ccc(CN2CC[C@@H](CNC(=O)CSc3nc4ccccc4n(C)c3=O)C2)cc1 ZINC000033006684 556655624 /nfs/dbraw/zinc/65/56/24/556655624.db2.gz MZMFYMAUHOOKNF-IBGZPJMESA-N 0 3 436.581 2.972 50 0 IFAAHN COc1ccc(CN2CCCC[C@@H]2CCn2cc(C(=O)NC3CC3)nn2)c(OC)c1C ZINC000011880826 556668401 /nfs/dbraw/zinc/66/84/01/556668401.db2.gz VCLQAWRPGWRFJO-LJQANCHMSA-N 0 3 427.549 2.941 50 0 IFAAHN COc1cc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)cc(OC)c1Br ZINC000060344653 556714602 /nfs/dbraw/zinc/71/46/02/556714602.db2.gz OOKLPWBOPNMFIH-UHFFFAOYSA-N 0 3 445.354 2.812 50 0 IFAAHN CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)CC1 ZINC000078680163 556735109 /nfs/dbraw/zinc/73/51/09/556735109.db2.gz CQJIGPOAHHTBDW-FCHUYYIVSA-N 0 3 428.621 2.545 50 0 IFAAHN Cc1c(C(=O)NCCN(C)Cc2ccccc2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048268 556744283 /nfs/dbraw/zinc/74/42/83/556744283.db2.gz PCBAELGTGLARBN-UHFFFAOYSA-N 0 3 438.601 2.613 50 0 IFAAHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccccc1NC(=O)c1cccs1 ZINC000058217916 556772817 /nfs/dbraw/zinc/77/28/17/556772817.db2.gz IQGKCDGTAKALJZ-SFHVURJKSA-N 0 3 428.558 2.673 50 0 IFAAHN O=C(CN(CC1CCCCC1)C1CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000059409297 556800033 /nfs/dbraw/zinc/80/00/33/556800033.db2.gz GYRSIBHKCFHRFE-UHFFFAOYSA-N 0 3 433.618 2.705 50 0 IFAAHN COc1ccc(NC(=O)c2nnc(CCC(=O)NCCN3CCCC[C@@H]3C)s2)cc1 ZINC000033061860 556817548 /nfs/dbraw/zinc/81/75/48/556817548.db2.gz FFSXKZVTYRXCDU-HNNXBMFYSA-N 0 3 431.562 2.722 50 0 IFAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)n1 ZINC000065361855 556834098 /nfs/dbraw/zinc/83/40/98/556834098.db2.gz KNSSJTBJRAGIAR-UHFFFAOYSA-N 0 3 430.940 2.938 50 0 IFAAHN Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n1 ZINC000065363093 556834846 /nfs/dbraw/zinc/83/48/46/556834846.db2.gz FJZFQDBWKDBAKH-UHFFFAOYSA-N 0 3 437.516 2.564 50 0 IFAAHN O=C(NCCCN1CCN(c2ccccc2F)CC1)[C@H]1CCCN(c2ccncc2)C1 ZINC000033128872 556866082 /nfs/dbraw/zinc/86/60/82/556866082.db2.gz XPOKVIWPFOMMMP-FQEVSTJZSA-N 0 3 425.552 2.766 50 0 IFAAHN CCc1ccc(NC(=O)CC2C(=O)N(CCN3CCOCC3)c3nc4ccccc4n32)cc1 ZINC000019817452 556920138 /nfs/dbraw/zinc/92/01/38/556920138.db2.gz XUYQMLKFGDRQSS-JOCHJYFZSA-N 0 3 447.539 2.847 50 0 IFAAHN CCc1ccc(NC(=O)CC2C(=O)N(CCN3CCOCC3)c3nc4ccccc4n32)cc1 ZINC000019817454 556920222 /nfs/dbraw/zinc/92/02/22/556920222.db2.gz XUYQMLKFGDRQSS-QFIPXVFZSA-N 0 3 447.539 2.847 50 0 IFAAHN CSc1nc(C)c(CCC(=O)NCc2ccc(N3CCCN(C)CC3)nc2)c(C)n1 ZINC000048230800 557048769 /nfs/dbraw/zinc/04/87/69/557048769.db2.gz QYNHLHKMDXQNBJ-UHFFFAOYSA-N 0 3 428.606 2.601 50 0 IFAAHN CN(C)CCN(Cc1ccccc1F)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000048309479 557059873 /nfs/dbraw/zinc/05/98/73/557059873.db2.gz AEWJBIXXIZVCOE-GOSISDBHSA-N 0 3 441.503 2.540 50 0 IFAAHN CCCn1c2ccccc2n(CC(=O)N[C@@H](C)CCN2CCN(c3ccccc3)CC2)c1=O ZINC000048312072 557061217 /nfs/dbraw/zinc/06/12/17/557061217.db2.gz KRIVHLHURFQRLQ-NRFANRHFSA-N 0 3 449.599 2.930 50 0 IFAAHN Cc1ccccc1-c1cccc(CN2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)c1 ZINC000023129018 557065773 /nfs/dbraw/zinc/06/57/73/557065773.db2.gz LRFGBPJPFZXKMJ-QFIPXVFZSA-N 0 3 445.567 2.965 50 0 IFAAHN Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@@H](N1CCN(C3CCCC3)CC1)C2 ZINC000023354218 557086609 /nfs/dbraw/zinc/08/66/09/557086609.db2.gz QHJPIYQAEKSURE-OAQYLSRUSA-N 0 3 439.579 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CC[C@H](CN(C)Cc1ccccc1)NC(=O)Cn1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839380 568969729 /nfs/dbraw/zinc/96/97/29/568969729.db2.gz QFHLALFCCFYILV-LJQANCHMSA-N 0 3 431.540 2.915 50 0 IFAAHN Cc1cccc(C(=O)N2CCN([C@H](C(=O)NCCN3CCCCC3)C3CCCC3)CC2)c1 ZINC000036255100 568985009 /nfs/dbraw/zinc/98/50/09/568985009.db2.gz QROQNEUPWYNWEY-DEOSSOPVSA-N 0 3 440.632 2.914 50 0 IFAAHN COc1ccc(-c2noc(N3CCC(C(=O)NCCN4CCCC[C@H]4C)CC3)n2)cc1 ZINC000006834249 569084405 /nfs/dbraw/zinc/08/44/05/569084405.db2.gz OPUFCJWZKIVSIQ-QGZVFWFLSA-N 0 3 427.549 2.952 50 0 IFAAHN COc1ccc(-c2noc(N3CCC(C(=O)NCCN4CCCC[C@@H]4C)CC3)n2)cc1 ZINC000006834269 569084421 /nfs/dbraw/zinc/08/44/21/569084421.db2.gz OPUFCJWZKIVSIQ-KRWDZBQOSA-N 0 3 427.549 2.952 50 0 IFAAHN CCOc1cc(=O)c(C(=O)N2CCC(N3CCCCC3)CC2)nn1-c1ccc(F)c(F)c1 ZINC000065198338 569114952 /nfs/dbraw/zinc/11/49/52/569114952.db2.gz FMKAJMNAMRBGFD-UHFFFAOYSA-N 0 3 446.498 3.000 50 0 IFAAHN CCN1CCN(CCNC(=O)c2cccc3c2CCN3C(=O)Nc2ccc(C)cc2)CC1 ZINC000065210074 569116555 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569175290 /nfs/dbraw/zinc/17/52/90/569175290.db2.gz LORHSSFMCXPPBY-LJQANCHMSA-N 0 3 429.524 2.825 50 0 IFAAHN CN(C)CCNC(=O)c1ccc(Cn2ccs/c2=N\C(=O)c2ccccc2Cl)o1 ZINC000037435680 569196155 /nfs/dbraw/zinc/19/61/55/569196155.db2.gz TZGIXVBNQLXXET-ATJXCDBQSA-N 0 3 432.933 2.877 50 0 IFAAHN CN(C)CCNC(=O)c1ccccc1N1CCC(NC(=O)c2cc(F)cc(F)c2)CC1 ZINC000037524237 569198616 /nfs/dbraw/zinc/19/86/16/569198616.db2.gz URSBWOHLJAMTIN-UHFFFAOYSA-N 0 3 430.499 2.655 50 0 IFAAHN CC(C)N1CCN([C@@H]2CCOC3(CCN(C(=O)c4n[nH]c5ccccc54)CC3)C2)CC1 ZINC000581819701 569211478 /nfs/dbraw/zinc/21/14/78/569211478.db2.gz CMLTYOKDBFTGQE-LJQANCHMSA-N 0 3 425.577 2.743 50 0 IFAAHN CC(C)CN1CCN([C@H]2CCOC3(CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)CC1 ZINC000581820094 569211768 /nfs/dbraw/zinc/21/17/68/569211768.db2.gz QNYWXVDXDADDDG-QHCPKHFHSA-N 0 3 449.661 2.804 50 0 IFAAHN CC(C)CN1CCN([C@@H]2CCOC3(CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)CC1 ZINC000581820093 569211773 /nfs/dbraw/zinc/21/17/73/569211773.db2.gz QNYWXVDXDADDDG-HSZRJFAPSA-N 0 3 449.661 2.804 50 0 IFAAHN Cc1ncccc1C(=O)N1CCC2(CC1)C[C@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000581820153 569211783 /nfs/dbraw/zinc/21/17/83/569211783.db2.gz VEJZAUZGXKKLBJ-OAQYLSRUSA-N 0 3 435.572 2.761 50 0 IFAAHN COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](N2CCN(CC(C)C)CC2)CCO3)cn1 ZINC000581820155 569211802 /nfs/dbraw/zinc/21/18/02/569211802.db2.gz VOPLVWGVFNSJAA-NRFANRHFSA-N 0 3 430.593 2.518 50 0 IFAAHN O=C(NC1CCCCC1)[C@@H]1C(=O)C(=O)N(C2CCCCC2)C(=O)[C@H]1NC1CCCCC1 ZINC000107988099 569258763 /nfs/dbraw/zinc/25/87/63/569258763.db2.gz AJSNGWPXOSLKIO-PMACEKPBSA-N 0 3 431.577 2.613 50 0 IFAAHN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000078879463 569319989 /nfs/dbraw/zinc/31/99/89/569319989.db2.gz WCOYACFNYRYJGS-UHFFFAOYSA-N 0 3 433.556 2.921 50 0 IFAAHN O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCC[C@H](NCc2ccccc2)C1 ZINC000079096488 569325354 /nfs/dbraw/zinc/32/53/54/569325354.db2.gz PYDPXGHPUAXYGQ-SFHVURJKSA-N 0 3 433.599 2.927 50 0 IFAAHN CCCN1CCN(CCCNC(=O)CSc2cc(=O)n(CC)c3ccccc23)CC1 ZINC000020285127 569359095 /nfs/dbraw/zinc/35/90/95/569359095.db2.gz QYVXITJEKFITHY-UHFFFAOYSA-N 0 3 430.618 2.647 50 0 IFAAHN CCN1CCC[C@@H]1CNC(=O)Cn1ncc2c(C)n(Cc3ccc(F)cc3)c(C)c2c1=O ZINC000020417344 569364923 /nfs/dbraw/zinc/36/49/23/569364923.db2.gz SCKICWVDUFHROW-HXUWFJFHSA-N 0 3 439.535 2.603 50 0 IFAAHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1 ZINC000095456451 569368844 /nfs/dbraw/zinc/36/88/44/569368844.db2.gz LDBZECHJLWZJSG-NRFANRHFSA-N 0 3 443.569 2.584 50 0 IFAAHN CCC(CC)N1CCN(C(=O)[C@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)CC1 ZINC000096398484 569399723 /nfs/dbraw/zinc/39/97/23/569399723.db2.gz JOEMURGGOHGXMZ-KRWDZBQOSA-N 0 3 433.618 2.658 50 0 IFAAHN CCN1CCC[C@H]1CNC(=O)[C@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000031815243 569457951 /nfs/dbraw/zinc/45/79/51/569457951.db2.gz MMCQWVLEAZAZPW-RDJZCZTQSA-N 0 3 425.558 2.806 50 0 IFAAHN Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670459517 569460639 /nfs/dbraw/zinc/46/06/39/569460639.db2.gz IEMDFALNPWKFBS-BAOIDCNMSA-N 0 3 427.552 2.683 50 0 IFAAHN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)NCCCN1CCOCC1)C[C@H](C)CC2 ZINC000008709270 569470702 /nfs/dbraw/zinc/47/07/02/569470702.db2.gz LTTHSDCYRHEPRZ-HZPDHXFCSA-N 0 3 437.606 2.689 50 0 IFAAHN O=C(CSc1nnnn1Cc1cccs1)NC1CCN(Cc2ccccc2)CC1 ZINC000009155140 569508265 /nfs/dbraw/zinc/50/82/65/569508265.db2.gz PKHLEOXSGHUSJK-UHFFFAOYSA-N 0 3 428.587 2.656 50 0 IFAAHN C[C@@H]1CCCCN1CCNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009276368 569518427 /nfs/dbraw/zinc/51/84/27/569518427.db2.gz PWPBOUGOPBHFPP-LJQANCHMSA-N 0 3 446.617 2.807 50 0 IFAAHN O=C(CNC(=O)c1cccc(Br)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000009670776 569558366 /nfs/dbraw/zinc/55/83/66/569558366.db2.gz PULASGCEDQBLPB-UHFFFAOYSA-N 0 3 430.346 2.960 50 0 IFAAHN CCCCn1c(N2CCN(Cc3cccc4ccccc43)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000022421631 521370559 /nfs/dbraw/zinc/37/05/59/521370559.db2.gz JKWOOCVTKJAOFM-UHFFFAOYSA-N 0 3 446.555 2.699 50 0 IFAAHN CCOC(=O)c1cnn(-c2ccc(C(=O)NCCCN3CCc4ccccc4C3)cc2)c1N ZINC000021652105 521579012 /nfs/dbraw/zinc/57/90/12/521579012.db2.gz LUAMCHAITUGQDY-UHFFFAOYSA-N 0 3 447.539 2.809 50 0 IFAAHN CCN1CCN(CCCNC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)CC1 ZINC000021538029 521680289 /nfs/dbraw/zinc/68/02/89/521680289.db2.gz KLOWEDHCIYHDEP-UHFFFAOYSA-N 0 3 449.555 2.926 50 0 IFAAHN CCN1CCN(C[C@@H](O)COc2ccc(CNCc3ccccc3F)cc2OC)CC1 ZINC000020452850 521684658 /nfs/dbraw/zinc/68/46/58/521684658.db2.gz SEJNYRYHFKKOGN-OAQYLSRUSA-N 0 3 431.552 2.501 50 0 IFAAHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3ccc(-n4cccn4)cc3)cc2)CC1 ZINC000012522067 521698348 /nfs/dbraw/zinc/69/83/48/521698348.db2.gz NXFLWZXEUANZFO-UHFFFAOYSA-N 0 3 433.512 2.810 50 0 IFAAHN COc1cc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c(C)cc1C ZINC000021794663 522895304 /nfs/dbraw/zinc/89/53/04/522895304.db2.gz LQTMGFPLUQLFCU-UHFFFAOYSA-N 0 3 445.589 2.522 50 0 IFAAHN COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCCN4CCCC[C@H]4C)C3)n2)cc1 ZINC000035325662 523298896 /nfs/dbraw/zinc/29/88/96/523298896.db2.gz CCXDYTNEXBOJFR-IEBWSBKVSA-N 0 3 427.549 2.952 50 0 IFAAHN CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCN4CCCCC4)C3)ccc21 ZINC000021937985 523496927 /nfs/dbraw/zinc/49/69/27/523496927.db2.gz WXAIMQNIIPHCQD-HXUWFJFHSA-N 0 3 446.617 2.664 50 0 IFAAHN COc1ccc(CN(C)CCn2nc(C)cc2C)cc1OC[C@H](O)CN1CCCCC1 ZINC000012836196 524004742 /nfs/dbraw/zinc/00/47/42/524004742.db2.gz SMAWQUTWWUTXFA-JOCHJYFZSA-N 0 3 430.593 2.866 50 0 IFAAHN COc1ccc(CN(C)Cc2ccccc2Cl)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000020538636 524005457 /nfs/dbraw/zinc/00/54/57/524005457.db2.gz YUGZWHVTHTXEAS-OAQYLSRUSA-N 0 3 448.007 2.968 50 0 IFAAHN CCc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)N(C)C)cc1 ZINC000022684046 524029110 /nfs/dbraw/zinc/02/91/10/524029110.db2.gz XDUVOUSIGPHKBH-JOCHJYFZSA-N 0 3 429.586 2.994 50 0 IFAAHN COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)c(C)c1C ZINC000020912945 524039937 /nfs/dbraw/zinc/03/99/37/524039937.db2.gz RKTYCODTUIGACX-SFHVURJKSA-N 0 3 434.544 2.848 50 0 IFAAHN C[C@@H]1CCCCN1CCNC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000020557053 524108497 /nfs/dbraw/zinc/10/84/97/524108497.db2.gz OIVIGAHSDYTHNN-GOSISDBHSA-N 0 3 439.608 2.760 50 0 IFAAHN COc1ccccc1/C=C/CN1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1 ZINC000012212733 524320582 /nfs/dbraw/zinc/32/05/82/524320582.db2.gz XTCNLVYWNWWXAP-VMPITWQZSA-N 0 3 446.555 2.502 50 0 IFAAHN COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CN(C)Cc2ccc(F)cc2)c1 ZINC000012455502 524972462 /nfs/dbraw/zinc/97/24/62/524972462.db2.gz LNZLVUOBUIMFHK-JOCHJYFZSA-N 0 3 432.536 2.663 50 0 IFAAHN COc1ccc2c(C)c(CC(=O)NCC3(N4CCN(C)CC4)CCCCC3)c(=O)oc2c1 ZINC000020622835 525497348 /nfs/dbraw/zinc/49/73/48/525497348.db2.gz BKISNUFQJNJHDD-UHFFFAOYSA-N 0 3 441.572 2.719 50 0 IFAAHN COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N4CC[C@H](N(C)C)C4)c3C)ncc1CC2 ZINC000014987789 525506225 /nfs/dbraw/zinc/50/62/25/525506225.db2.gz CXPYOCGUVKOHIF-SFHVURJKSA-N 0 3 432.528 2.521 50 0 IFAAHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H](c3ccccc3)N(C)C)CC2)cc1C ZINC000012568636 525538977 /nfs/dbraw/zinc/53/89/77/525538977.db2.gz MBUXFVHYCBDZHD-QFIPXVFZSA-N 0 3 444.601 2.622 50 0 IFAAHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)CCc4nnc(C)[nH]4)C3)C2)c1OC ZINC000012303534 525938769 /nfs/dbraw/zinc/93/87/69/525938769.db2.gz RFBHNBPFMGMYGX-HSZRJFAPSA-N 0 3 427.549 2.578 50 0 IFAAHN O=C(CC[C@H]1CCCN(C(=O)CN2CCCCCC2)C1)N1CCN(c2ccccn2)CC1 ZINC000012094322 526568848 /nfs/dbraw/zinc/56/88/48/526568848.db2.gz WVZGCZOGPAQJRX-JOCHJYFZSA-N 0 3 441.620 2.625 50 0 IFAAHN O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(c2ccncc2)CC1 ZINC000012791602 526710585 /nfs/dbraw/zinc/71/05/85/526710585.db2.gz FTHNLHDWEBVFSR-UHFFFAOYSA-N 0 3 428.558 2.609 50 0 IFAAHN NC(=O)c1ccc(N2CCC(CCC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)nc1 ZINC000012386424 527055966 /nfs/dbraw/zinc/05/59/66/527055966.db2.gz ZCSLFOKWWZIWIZ-JOCHJYFZSA-N 0 3 435.572 2.568 50 0 IFAAHN CC(C)(CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCCCC1 ZINC000010080170 555691145 /nfs/dbraw/zinc/69/11/45/555691145.db2.gz CPMGJQCFFVPEDU-UHFFFAOYSA-N 0 3 443.013 2.620 50 0 IFAAHN Cc1c(C(=O)N2CCOC[C@H]2C)nnn1-c1cccc2c1CCN(Cc1ccccc1)C2 ZINC000071889581 555725717 /nfs/dbraw/zinc/72/57/17/555725717.db2.gz KVIVSTRFLNAXJF-GOSISDBHSA-N 0 3 431.540 2.995 50 0 IFAAHN COC(=O)CC(=O)N1C[C@H](CN2CCN(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000034697696 555811547 /nfs/dbraw/zinc/81/15/47/555811547.db2.gz HSMCYPGVCAFSLR-NZQKXSOJSA-N 0 3 439.531 2.753 50 0 IFAAHN COc1cccc(NC(=O)[C@H](NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)c1 ZINC000034863166 555925199 /nfs/dbraw/zinc/92/51/99/555925199.db2.gz FXDPPCSSWMCCOC-JOCHJYFZSA-N 0 3 439.537 2.855 50 0 IFAAHN COC(=O)C(Cc1nc2ccccc2[nH]c1=O)C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000005399569 556050765 /nfs/dbraw/zinc/05/07/65/556050765.db2.gz CHIWWIOVGHUPFF-NSHDSACASA-N 0 3 448.262 2.769 50 0 IFAAHN CCOc1ccc(N2C(=O)C[C@@H](NC3CCN(C(=O)c4cccs4)CC3)C2=O)cc1 ZINC000009933868 556317282 /nfs/dbraw/zinc/31/72/82/556317282.db2.gz UPCKZNZDINBZJJ-GOSISDBHSA-N 0 3 427.526 2.673 50 0 IFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000014022229 556357040 /nfs/dbraw/zinc/35/70/40/556357040.db2.gz FUUSMKYSZXZWCT-JOCHJYFZSA-N 0 3 445.560 2.760 50 0 IFAAHN CCOc1cc(CN2CCC3(CC[C@@H](CNC(=O)c4ccnn4C)O3)CC2)ccc1OC ZINC000011813985 556357592 /nfs/dbraw/zinc/35/75/92/556357592.db2.gz OTFGAIVWYFUFMR-IBGZPJMESA-N 0 3 442.560 2.771 50 0 IFAAHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)CN4CCCCC4=O)C3)C2)c1OC ZINC000011839321 556364133 /nfs/dbraw/zinc/36/41/33/556364133.db2.gz UEYOOZDRVFLXHH-DEOSSOPVSA-N 0 3 429.561 2.531 50 0 IFAAHN CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccccc1-c1ccco1)CC2 ZINC000011995394 556383771 /nfs/dbraw/zinc/38/37/71/556383771.db2.gz GKBQCBHVPJENBP-NRFANRHFSA-N 0 3 443.573 2.843 50 0 IFAAHN COC(=O)C1CCN(C[C@@H](O)COc2ccc(CNCc3cccc(C)c3)cc2)CC1 ZINC000012058082 556394810 /nfs/dbraw/zinc/39/48/10/556394810.db2.gz NNMBOJWKOHSTOR-HSZRJFAPSA-N 0 3 426.557 2.910 50 0 IFAAHN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1cccc(F)c1F)C2 ZINC000014538451 556424351 /nfs/dbraw/zinc/42/43/51/556424351.db2.gz MSGAGFZVUVTAMY-QGZVFWFLSA-N 0 3 432.515 2.937 50 0 IFAAHN CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](N1CCC(N3C[C@@H](C)O[C@@H](C)C3)CC1)C2 ZINC000014733527 556437879 /nfs/dbraw/zinc/43/78/79/556437879.db2.gz BBNQKFREYRNHNM-SVFBPWRDSA-N 0 3 443.636 2.570 50 0 IFAAHN COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN([C@H](C)CO)CC2 ZINC000014743167 556439646 /nfs/dbraw/zinc/43/96/46/556439646.db2.gz ACLSXJQSGCZNGT-LJQANCHMSA-N 0 3 439.556 2.856 50 0 IFAAHN COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1cccs1)CC2 ZINC000014746492 556441121 /nfs/dbraw/zinc/44/11/21/556441121.db2.gz LHCSTKYHPCUJCH-UHFFFAOYSA-N 0 3 428.558 2.979 50 0 IFAAHN COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1cccc(O)c1)CC2 ZINC000014745874 556441155 /nfs/dbraw/zinc/44/11/55/556441155.db2.gz YFJMGEGNDXJECV-UHFFFAOYSA-N 0 3 438.528 2.623 50 0 IFAAHN COc1ccc(/C=C/CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1 ZINC000014883802 556454752 /nfs/dbraw/zinc/45/47/52/556454752.db2.gz LVVGLZSXCMBCMT-ONEGZZNKSA-N 0 3 435.503 2.927 50 0 IFAAHN COc1ccc(Oc2ncccc2NC(=O)N2CCC(C(=O)NCCN(C)C)CC2)cc1 ZINC000072276859 556457098 /nfs/dbraw/zinc/45/70/98/556457098.db2.gz KPLMMFNTLDBWGK-UHFFFAOYSA-N 0 3 441.532 2.804 50 0 IFAAHN COc1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1S(=O)(=O)N1CCCC1 ZINC000013096776 556457543 /nfs/dbraw/zinc/45/75/43/556457543.db2.gz ANFFDMPBAPNZEO-IBGZPJMESA-N 0 3 431.558 2.512 50 0 IFAAHN COC(=O)[C@@H](NC(=O)c1sc2ncnc(NCCN3CCCCC3)c2c1C)C(C)C ZINC000014988743 556473572 /nfs/dbraw/zinc/47/35/72/556473572.db2.gz PNDMFCPJKQVCOB-INIZCTEOSA-N 0 3 433.578 2.825 50 0 IFAAHN COc1ccc(CCN2C[C@@H](C(=O)NC[C@H](c3ccccc3)N(C)C)CC2=O)cc1OC ZINC000013130951 556480135 /nfs/dbraw/zinc/48/01/35/556480135.db2.gz NBHBYWWKRXIEAH-LEWJYISDSA-N 0 3 439.556 2.514 50 0 IFAAHN CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000022937703 556506515 /nfs/dbraw/zinc/50/65/15/556506515.db2.gz QGFFOZRTQXCLKB-DEOSSOPVSA-N 0 3 434.584 2.678 50 0 IFAAHN COCCNC(=O)[C@@H]1C[C@H](NCc2cccc(OC)c2)CN1Cc1ccc(Cl)cc1 ZINC000032541168 556540624 /nfs/dbraw/zinc/54/06/24/556540624.db2.gz FKFPXODAOJSAQP-UNMCSNQZSA-N 0 3 431.964 2.844 50 0 IFAAHN Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)cc1C ZINC000015671279 556542198 /nfs/dbraw/zinc/54/21/98/556542198.db2.gz OIDOOGFLOQVGRU-UHFFFAOYSA-N 0 3 429.590 2.903 50 0 IFAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000015671208 556542346 /nfs/dbraw/zinc/54/23/46/556542346.db2.gz QQIRMFVWWNDGFZ-UHFFFAOYSA-N 0 3 435.450 2.603 50 0 IFAAHN CCN(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)[C@H](Cc1ccc(C)cc1)C1CC1 ZINC000072305220 556550640 /nfs/dbraw/zinc/55/06/40/556550640.db2.gz WUCWAHDFYDVXDH-JOCHJYFZSA-N 0 3 429.586 2.602 50 0 IFAAHN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN(CC(C)(C)O)C1CCOCC1 ZINC000072308458 556565005 /nfs/dbraw/zinc/56/50/05/556565005.db2.gz AVVZISFWJBGTOZ-UHFFFAOYSA-N 0 3 433.332 2.970 50 0 IFAAHN COc1c(Br)cc(Br)cc1CNCCSc1nnnn1C ZINC000016363656 556603398 /nfs/dbraw/zinc/60/33/98/556603398.db2.gz MDRQVNDOAVWIIX-UHFFFAOYSA-N 0 3 437.161 2.626 50 0 IFAAHN COc1ccc(NC(=O)c2nnc(CCCC(=O)NCCN3CCCCC3)s2)cc1 ZINC000032987790 556608288 /nfs/dbraw/zinc/60/82/88/556608288.db2.gz ZENRPOMAQVAJKR-UHFFFAOYSA-N 0 3 431.562 2.724 50 0 IFAAHN C[C@H]1CCCN(CCNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)C1 ZINC000032931454 556675455 /nfs/dbraw/zinc/67/54/55/556675455.db2.gz RHJPCVMXCZWSIB-IBGZPJMESA-N 0 3 441.597 2.895 50 0 IFAAHN CCN1CCN(Cc2ccc(CNC(=O)c3nc(C)n(-c4ccc(F)cc4)n3)cc2)CC1 ZINC000032933058 556676441 /nfs/dbraw/zinc/67/64/41/556676441.db2.gz UOHSGPGNTMZMIA-UHFFFAOYSA-N 0 3 436.535 2.782 50 0 IFAAHN O=C(c1nc2ccccn2c1CN1CCCC[C@H]1CO)N1CCN(C2CCCCC2)CC1 ZINC000019225584 556716756 /nfs/dbraw/zinc/71/67/56/556716756.db2.gz NFQSOHVIKVWLIU-NRFANRHFSA-N 0 3 439.604 2.772 50 0 IFAAHN CN(C)CCn1c(=O)nc(SCC(=O)N2CCCc3ccccc32)c2c1CCCC2 ZINC000005254451 556747300 /nfs/dbraw/zinc/74/73/00/556747300.db2.gz GDGQDLCRSHYPOL-UHFFFAOYSA-N 0 3 426.586 2.755 50 0 IFAAHN CN1CCCN(c2ccc(NC(=O)NCc3ccnc(N4CCOCC4)c3)cc2F)CC1 ZINC000058100677 556757915 /nfs/dbraw/zinc/75/79/15/556757915.db2.gz KAVNMKGZAKLHAY-UHFFFAOYSA-N 0 3 442.539 2.521 50 0 IFAAHN CN(C)C[C@@H](CNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@@H](O)c1ccccc1 ZINC000058146483 556761702 /nfs/dbraw/zinc/76/17/02/556761702.db2.gz XBGIHIPTYWXXSD-BEFAXECRSA-N 0 3 439.965 2.776 50 0 IFAAHN CCN1CCN(c2ccc(N[C@@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000058170349 556768012 /nfs/dbraw/zinc/76/80/12/556768012.db2.gz WWGWTZRJEKKJSU-QFIPXVFZSA-N 0 3 435.616 2.973 50 0 IFAAHN CN1CCCN(c2ccc(NC(=O)NCCCNC(=O)c3cccc(O)c3)cc2F)CC1 ZINC000058177645 556769767 /nfs/dbraw/zinc/76/97/67/556769767.db2.gz GGJGDXPKFBTDPX-UHFFFAOYSA-N 0 3 443.523 2.615 50 0 IFAAHN C/C(=C\c1ccco1)CN1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1 ZINC000064002414 556822512 /nfs/dbraw/zinc/82/25/12/556822512.db2.gz WQIIDCPHGNCXEX-OBGWFSINSA-N 0 3 437.519 2.873 50 0 IFAAHN Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n1 ZINC000065362677 556834582 /nfs/dbraw/zinc/83/45/82/556834582.db2.gz XZCPTZIIYKWVBK-UHFFFAOYSA-N 0 3 437.516 2.564 50 0 IFAAHN Cc1c(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cccc1N(C)S(C)(=O)=O ZINC000065363319 556835093 /nfs/dbraw/zinc/83/50/93/556835093.db2.gz ZLXWLTOVEGYRMN-UHFFFAOYSA-N 0 3 445.585 2.794 50 0 IFAAHN CCNc1cc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nc(C)n1 ZINC000065363716 556835223 /nfs/dbraw/zinc/83/52/23/556835223.db2.gz JNWPMTZXVHAPCL-UHFFFAOYSA-N 0 3 429.468 2.747 50 0 IFAAHN CN1CCC(Oc2ccc(CNS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1 ZINC000067621920 556844891 /nfs/dbraw/zinc/84/48/91/556844891.db2.gz SWVPRXPWQSVSNC-UHFFFAOYSA-N 0 3 443.569 2.765 50 0 IFAAHN Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1 ZINC000070466463 556875865 /nfs/dbraw/zinc/87/58/65/556875865.db2.gz SYYBDNPGDKKJDU-ZDUSSCGKSA-N 0 3 436.310 2.867 50 0 investigational IFAAHN CCN1CCN(C[C@@H](O)COc2ccc(CNCc3cccc(F)c3)cc2OC)CC1 ZINC000019741577 556884165 /nfs/dbraw/zinc/88/41/65/556884165.db2.gz UNEMSWZRUHIWCH-JOCHJYFZSA-N 0 3 431.552 2.501 50 0 IFAAHN O=C(NCCN1CCCC1)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000004712783 556890354 /nfs/dbraw/zinc/89/03/54/556890354.db2.gz WJHILWZIHWINBR-UHFFFAOYSA-N 0 3 427.998 2.637 50 0 IFAAHN CCCOc1ccc(N2C(=O)C[C@@H](NC3CCN(c4ccc(Cl)nn4)CC3)C2=O)cc1 ZINC000019890263 556939280 /nfs/dbraw/zinc/93/92/80/556939280.db2.gz CGZBZWWWIGQSMX-GOSISDBHSA-N 0 3 443.935 2.809 50 0 IFAAHN COc1ccccc1CCNCc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2sccn12 ZINC000020119771 556987547 /nfs/dbraw/zinc/98/75/47/556987547.db2.gz ASAHVBKBDZSENO-IYBDPMFKSA-N 0 3 428.558 2.986 50 0 IFAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3cccc4ccccc43)CC2)n1 ZINC000082230626 557061886 /nfs/dbraw/zinc/06/18/86/557061886.db2.gz MZTIABMELVXBQH-UHFFFAOYSA-N 0 3 430.556 2.652 50 0 IFAAHN Cc1ccccc1-c1cccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)c1 ZINC000023129017 557065936 /nfs/dbraw/zinc/06/59/36/557065936.db2.gz LRFGBPJPFZXKMJ-JOCHJYFZSA-N 0 3 445.567 2.965 50 0 IFAAHN Cc1cc(C)cc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)c1 ZINC000023129601 557066226 /nfs/dbraw/zinc/06/62/26/557066226.db2.gz GVLBRPPCFHQYPZ-UHFFFAOYSA-N 0 3 433.556 2.691 50 0 IFAAHN O=C(NCc1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2)[C@H]1CCOC1 ZINC000023129083 557066455 /nfs/dbraw/zinc/06/64/55/557066455.db2.gz NHHBVLYHMUBVMY-QFIPXVFZSA-N 0 3 431.540 2.656 50 0 IFAAHN O=C(CCNC(=O)NC1CCCCC1)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000048356408 557073335 /nfs/dbraw/zinc/07/33/35/557073335.db2.gz YMZKJIJFZWVPBE-UHFFFAOYSA-N 0 3 443.636 2.723 50 0 IFAAHN Cc1ccc(NC(=O)CC2C(=O)N(CCN3CCOCC3)c3nc4ccccc4n32)cc1 ZINC000023411663 557091740 /nfs/dbraw/zinc/09/17/40/557091740.db2.gz WFGLEYDWCYXWTG-NRFANRHFSA-N 0 3 433.512 2.593 50 0 IFAAHN CCOc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)cc1 ZINC000033318392 557099684 /nfs/dbraw/zinc/09/96/84/557099684.db2.gz MPNKTIHYZUYZDR-UHFFFAOYSA-N 0 3 445.589 2.685 50 0 IFAAHN Cc1ccc(S(=O)(=O)N2CCC(N[C@@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000023627200 557101569 /nfs/dbraw/zinc/10/15/69/557101569.db2.gz LUMLKGKXZRLLBP-JOCHJYFZSA-N 0 3 427.570 2.758 50 0 IFAAHN O=C(CCC1CCN(C(=O)c2csnn2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000023232074 557119255 /nfs/dbraw/zinc/11/92/55/557119255.db2.gz HHQCRUZCPDPQCK-LJQANCHMSA-N 0 3 427.574 2.561 50 0 IFAAHN COc1ccc2cc(CN(C)CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)ccc2c1 ZINC000024832080 557170881 /nfs/dbraw/zinc/17/08/81/557170881.db2.gz QGIOOUYKFGQPPF-UHFFFAOYSA-N 0 3 438.528 2.956 50 0 IFAAHN CC(C)[NH+](CCNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000024865360 557175295 /nfs/dbraw/zinc/17/52/95/557175295.db2.gz ZOPFWAFOORXFTO-NRFANRHFSA-N 0 3 449.592 2.950 50 0 IFAAHN CC(C)[NH+](CCNC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000024865353 557175317 /nfs/dbraw/zinc/17/53/17/557175317.db2.gz ZOPFWAFOORXFTO-OAQYLSRUSA-N 0 3 449.592 2.950 50 0 IFAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000025252238 557201084 /nfs/dbraw/zinc/20/10/84/557201084.db2.gz FGBQNOJFUILOMV-PZJWPPBQSA-N 0 3 445.560 2.617 50 0 IFAAHN CCc1ccc(-c2nn(Cc3ccccc3)cc2CNC[C@@H](O)CN2CCOCC2)cc1 ZINC000013987355 557242158 /nfs/dbraw/zinc/24/21/58/557242158.db2.gz MHOAQGGSCVBCDP-RUZDIDTESA-N 0 3 434.584 2.944 50 0 IFAAHN CCOc1ccc(N2C(=O)C[C@@H](NC3CCN(C(=O)c4cccc(F)c4)CC3)C2=O)cc1 ZINC000100191381 557246946 /nfs/dbraw/zinc/24/69/46/557246946.db2.gz ZIQDYONDGXTCIQ-OAQYLSRUSA-N 0 3 439.487 2.751 50 0 IFAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN(C)C)N2[C@H]1c1ccccc1OC ZINC000103408199 557435894 /nfs/dbraw/zinc/43/58/94/557435894.db2.gz XCMQIPMECOAHKR-FQEVSTJZSA-N 0 3 444.557 2.511 50 0 IFAAHN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN(C)C)N2[C@H]1c1cccs1 ZINC000103395158 557436471 /nfs/dbraw/zinc/43/64/71/557436471.db2.gz OMSIGBGKVGXCAV-SFHVURJKSA-N 0 3 434.587 2.954 50 0 IFAAHN Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000575316821 557462826 /nfs/dbraw/zinc/46/28/26/557462826.db2.gz HGRUCHIQNCPFPQ-FQEVSTJZSA-N 0 3 439.560 2.662 50 0 IFAAHN COC(=O)C1C(CN2CCN(C3CCCCC3)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318354 557469772 /nfs/dbraw/zinc/46/97/72/557469772.db2.gz IRJDNGXKISATNW-JOCHJYFZSA-N 0 3 426.561 2.726 50 0 IFAAHN C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1F ZINC000107151762 557535166 /nfs/dbraw/zinc/53/51/66/557535166.db2.gz WGXOMGVFFROYDG-OXJNMPFZSA-N 0 3 433.549 2.716 50 0 IFAAHN C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1F ZINC000107151762 557535167 /nfs/dbraw/zinc/53/51/67/557535167.db2.gz WGXOMGVFFROYDG-OXJNMPFZSA-N 0 3 433.549 2.716 50 0 IFAAHN Cc1ccc(CN2C[C@H](C(=O)NCCCN3CCN(C)C[C@@H]3c3ccccc3)CC2=O)cc1 ZINC000040081460 557692940 /nfs/dbraw/zinc/69/29/40/557692940.db2.gz QIUQNOZTESHRCK-JWQCQUIFSA-N 0 3 448.611 2.839 50 0 IFAAHN COc1ccc([C@H](CNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)N2CCCC2)cc1 ZINC000009493825 562972193 /nfs/dbraw/zinc/97/21/93/562972193.db2.gz JDAHAPKVRGGYQN-QFIPXVFZSA-N 0 3 445.585 2.577 50 0 IFAAHN COc1ccc([C@@H](CNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)N2CCCC2)cc1 ZINC000009493826 562972250 /nfs/dbraw/zinc/97/22/50/562972250.db2.gz JDAHAPKVRGGYQN-JOCHJYFZSA-N 0 3 445.585 2.577 50 0 IFAAHN CCOc1ccc(C(=O)NCC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)cc1 ZINC000013009901 562984052 /nfs/dbraw/zinc/98/40/52/562984052.db2.gz ZRSYBZDIGRAQGX-QFIPXVFZSA-N 0 3 425.529 2.777 50 0 IFAAHN Cn1nnnc1SCCCNCc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC000261492522 568734697 /nfs/dbraw/zinc/73/46/97/568734697.db2.gz FOPLBWJHSADTFJ-UHFFFAOYSA-N 0 3 438.536 2.928 50 0 IFAAHN CN(C[C@@H]1CCCCN1C)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O ZINC000299762059 568755958 /nfs/dbraw/zinc/75/59/58/568755958.db2.gz RALZBRCSGHYPSD-NVQXNPDNSA-N 0 3 448.567 2.611 50 0 IFAAHN COc1cc2cc(CNCCn3cncn3)c(=O)n(Cc3ccc(C)cc3)c2cc1OC ZINC000299783549 568757181 /nfs/dbraw/zinc/75/71/81/568757181.db2.gz ZHGPWIWKDHKOPB-UHFFFAOYSA-N 0 3 433.512 2.757 50 0 IFAAHN COc1ccc(-c2n[nH]cc2CN2CCC3(C[C@H]3C(=O)N3CCCN(C)CC3)CC2)cc1 ZINC000299785343 568757545 /nfs/dbraw/zinc/75/75/45/568757545.db2.gz XZZZPFVGOVFFOZ-QFIPXVFZSA-N 0 3 437.588 2.852 50 0 IFAAHN C[C@H]1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000084692287 568800101 /nfs/dbraw/zinc/80/01/01/568800101.db2.gz PHGAZEUQOWNKIC-IBGZPJMESA-N 0 3 447.645 2.957 50 0 IFAAHN COc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cc1C ZINC000015671261 568802317 /nfs/dbraw/zinc/80/23/17/568802317.db2.gz TXSOBTNKBJQTIC-UHFFFAOYSA-N 0 3 445.589 2.522 50 0 IFAAHN Cn1c(C(=O)NCCN2CCCCC2)cc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000015787016 568836494 /nfs/dbraw/zinc/83/64/94/568836494.db2.gz OHTTWBBZLYOJAX-UHFFFAOYSA-N 0 3 432.590 2.569 50 0 IFAAHN CN(C)C[C@H](NC(=O)CCn1cnc2ccc(Br)cc2c1=O)c1ccccc1 ZINC000013005314 568899176 /nfs/dbraw/zinc/89/91/76/568899176.db2.gz XVUUZEGFCODWBQ-IBGZPJMESA-N 0 3 443.345 2.968 50 0 IFAAHN CN1CCCN(c2ccc(CNC(=O)c3cccc(NC(=O)c4cccnc4)c3)cn2)CC1 ZINC000089382475 568921364 /nfs/dbraw/zinc/92/13/64/568921364.db2.gz CEFNYGYEVITYQH-UHFFFAOYSA-N 0 3 444.539 2.801 50 0 IFAAHN CN(C)CCNC(=O)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccccc1C(F)(F)F ZINC000006776756 568983574 /nfs/dbraw/zinc/98/35/74/568983574.db2.gz DWQDGWYTIMQKLO-KRWDZBQOSA-N 0 3 427.467 2.885 50 0 IFAAHN Cc1ccc(C(=O)N2CCN([C@@H](C(=O)NCCN3CCCCC3)C3CCCC3)CC2)cc1 ZINC000036255014 568984806 /nfs/dbraw/zinc/98/48/06/568984806.db2.gz GTQOFSWUCFPMLC-XMMPIXPASA-N 0 3 440.632 2.914 50 0 IFAAHN Cc1ccccc1C(=O)N1CCN([C@H](C(=O)NCCN2CCCCC2)C2CCCC2)CC1 ZINC000036255056 568984952 /nfs/dbraw/zinc/98/49/52/568984952.db2.gz UMHNSOVDYJUTIT-DEOSSOPVSA-N 0 3 440.632 2.914 50 0 IFAAHN CCOc1cc(=O)c(C(=O)N2CCC(N3CCCCC3)CC2)nn1-c1ccc(F)cc1 ZINC000065198321 569114978 /nfs/dbraw/zinc/11/49/78/569114978.db2.gz UMSCTGBYTHTFBS-UHFFFAOYSA-N 0 3 428.508 2.861 50 0 IFAAHN CCOC(=O)N1CCC(NC(=O)c2cccnc2N2CCN[C@H](c3ccccc3)C2)CC1 ZINC000065255830 569123030 /nfs/dbraw/zinc/12/30/30/569123030.db2.gz QRRTWMZFJCURCS-NRFANRHFSA-N 0 3 437.544 2.583 50 0 IFAAHN CCOC(=O)N1CCC(NC(=O)c2ccnc(N3CCN[C@@H](c4ccccc4)C3)c2)CC1 ZINC000065255998 569123130 /nfs/dbraw/zinc/12/31/30/569123130.db2.gz SLLAANNXPLCEFR-OAQYLSRUSA-N 0 3 437.544 2.583 50 0 IFAAHN COCCOC(=O)c1c(C)[nH]c(C(=O)N(CCN(C)C)Cc2cccc(OC)c2)c1C ZINC000170611647 569145134 /nfs/dbraw/zinc/14/51/34/569145134.db2.gz BAPVUGITALKXCW-UHFFFAOYSA-N 0 3 431.533 2.647 50 0 IFAAHN COCc1nnc(-c2cccc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCCO3)c2)o1 ZINC000170613589 569146240 /nfs/dbraw/zinc/14/62/40/569146240.db2.gz YGUQSDMSLMJTEC-NRFANRHFSA-N 0 3 436.512 2.904 50 0 IFAAHN Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](N2CCN(c4ccccn4)CC2)CCO3)cn1 ZINC000581820226 569211742 /nfs/dbraw/zinc/21/17/42/569211742.db2.gz ZQPBREZKXXQDOM-JOCHJYFZSA-N 0 3 435.572 2.761 50 0 IFAAHN COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](N2CCN(C(C)C)CC2)CCO3)c(OC)c1 ZINC000581820230 569211863 /nfs/dbraw/zinc/21/18/63/569211863.db2.gz ZVPDWSNSLYURGJ-FQEVSTJZSA-N 0 3 445.604 2.884 50 0 IFAAHN COc1ccc(CN2CCCN(C(=O)CNC(C)(C)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000095423242 569365670 /nfs/dbraw/zinc/36/56/70/569365670.db2.gz JLNKKWHKPFMREN-UHFFFAOYSA-N 0 3 439.556 2.983 50 0 IFAAHN O=C(Nc1cnn(CCN2CCCCC2)c1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000095459048 569369294 /nfs/dbraw/zinc/36/92/94/569369294.db2.gz NSTFAGXAIRZPRC-IBGZPJMESA-N 0 3 427.524 2.999 50 0 IFAAHN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2cnnc(N3CCCC3)c2)CC1 ZINC000096121065 569385053 /nfs/dbraw/zinc/38/50/53/569385053.db2.gz HZZVYHHJJVEESZ-UHFFFAOYSA-N 0 3 442.372 2.895 50 0 IFAAHN C[C@@H]1CCCCN1CCNC(=O)c1ccc2c(c1)nc1n2CCN(Cc2ccccn2)C1=O ZINC000096372494 569397994 /nfs/dbraw/zinc/39/79/94/569397994.db2.gz YLCIZOZOGYYEIF-GOSISDBHSA-N 0 3 446.555 2.692 50 0 IFAAHN CCC(CC)N1CCN(C(=O)[C@@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)CC1 ZINC000096398483 569399693 /nfs/dbraw/zinc/39/96/93/569399693.db2.gz JOEMURGGOHGXMZ-QGZVFWFLSA-N 0 3 433.618 2.658 50 0 IFAAHN CCN1CCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000008345452 569462620 /nfs/dbraw/zinc/46/26/20/569462620.db2.gz FGPXMRDIQXNIPQ-OAQYLSRUSA-N 0 3 429.586 2.841 50 0 IFAAHN C[C@@H]1CN(C2CCN(C(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)C[C@@H](C)O1 ZINC000040135641 569490732 /nfs/dbraw/zinc/49/07/32/569490732.db2.gz WHQIQMJLRWKJNF-NXYOSRLFSA-N 0 3 431.621 2.809 50 0 IFAAHN Cc1ccccc1CN1CCCN(C(=O)[C@@H](C)NS(=O)(=O)Cc2ccccc2)CC1 ZINC000040156200 569494093 /nfs/dbraw/zinc/49/40/93/569494093.db2.gz FAHOKVJVVQTMPX-HXUWFJFHSA-N 0 3 429.586 2.537 50 0 IFAAHN COC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1 ZINC000245281390 569502131 /nfs/dbraw/zinc/50/21/31/569502131.db2.gz YEMPDFJQTXLDKH-SIKLNZKXSA-N 0 3 444.597 2.972 50 0 IFAAHN CCOc1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)cc1 ZINC000009747297 569565817 /nfs/dbraw/zinc/56/58/17/569565817.db2.gz AKODOMFPBJAKSN-UHFFFAOYSA-N 0 3 430.574 2.813 50 0 IFAAHN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000009778826 569567329 /nfs/dbraw/zinc/56/73/29/569567329.db2.gz GUCCOZIYITYYCT-QFIPXVFZSA-N 0 3 441.597 2.794 50 0 IFAAHN CN(C)CCN(Cc1ccco1)C(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O ZINC000009860837 569571906 /nfs/dbraw/zinc/57/19/06/569571906.db2.gz UTAXTYVHVLJOPR-UHFFFAOYSA-N 0 3 445.523 2.566 50 0 IFAAHN Cc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)NCCN1CCCCC1 ZINC000009686159 132325815 /nfs/dbraw/zinc/32/58/15/132325815.db2.gz JBPFSFVPAHCRKZ-UHFFFAOYSA-N 0 3 439.608 2.804 50 0 IFAAHN CC(C)C[C@H](N)C(=O)N1CCC(C(=O)N[C@H](C(=O)Nc2ccc(F)cc2)C(C)C)CC1 ZINC000012872388 519365620 /nfs/dbraw/zinc/36/56/20/519365620.db2.gz XPTXDFFAELYJMH-PMACEKPBSA-N 0 3 434.556 2.517 50 0 IFAAHN CC(C)Cc1ccc(CN2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000020783481 519438583 /nfs/dbraw/zinc/43/85/83/519438583.db2.gz RDOKXPBQCDIMRU-OAQYLSRUSA-N 0 3 433.622 2.781 50 0 IFAAHN CC(C)CC[C@]1(C2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)NC(=O)N(CCN(C)C)C1=O ZINC000012157989 519696082 /nfs/dbraw/zinc/69/60/82/519696082.db2.gz BNXIJKJZHNSJKR-XDSPWSPCSA-N 0 3 444.620 2.726 50 0 IFAAHN CCCN1CCN(CCCNC(=O)c2ccc(C[S@@](=O)c3ccc(OC)cc3)o2)CC1 ZINC000020515017 519857894 /nfs/dbraw/zinc/85/78/94/519857894.db2.gz GBOSHHSQNHEWCB-HKBQPEDESA-N 0 3 447.601 2.744 50 0 IFAAHN CCCCOc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1 ZINC000021793864 520865431 /nfs/dbraw/zinc/86/54/31/520865431.db2.gz BMUNBWQRIALUJS-UHFFFAOYSA-N 0 3 439.560 2.763 50 0 IFAAHN CC1CCN(CC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)CC1 ZINC000012772698 520995588 /nfs/dbraw/zinc/99/55/88/520995588.db2.gz YBECJPIMCZXROD-UHFFFAOYSA-N 0 3 426.483 2.520 50 0 IFAAHN CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1 ZINC000012909501 521569979 /nfs/dbraw/zinc/56/99/79/521569979.db2.gz NMCGNGZWNLSGNH-UHFFFAOYSA-N 0 3 448.416 2.995 50 0 IFAAHN CCOC(=O)c1noc2ncnc(N(Cc3ccccc3OC)C3CCN(C)CC3)c12 ZINC000020992363 521607753 /nfs/dbraw/zinc/60/77/53/521607753.db2.gz IOIYWNLCXATFGI-UHFFFAOYSA-N 0 3 425.489 2.904 50 0 IFAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2cn3cc(C)ccc3n2)CC1 ZINC000012299532 521634224 /nfs/dbraw/zinc/63/42/24/521634224.db2.gz QTMPBEBNCWOPFQ-HXUWFJFHSA-N 0 3 425.577 2.876 50 0 IFAAHN CCN1CCC[C@H]1CNCC(=O)Nc1ccccc1C(=O)NCCc1ccc(OC)cc1 ZINC000022789173 521658097 /nfs/dbraw/zinc/65/80/97/521658097.db2.gz JJVPBUWBSQAWCV-FQEVSTJZSA-N 0 3 438.572 2.680 50 0 IFAAHN CCN1CCN(CCCNC(=O)c2cn(-c3ccc(OC)cc3)c(=O)c3ccccc23)CC1 ZINC000020508796 521681399 /nfs/dbraw/zinc/68/13/99/521681399.db2.gz QTCJKCWCPKATAE-UHFFFAOYSA-N 0 3 448.567 2.757 50 0 IFAAHN CCN1CCN(C[C@H](O)COc2ccc(CNCc3ccccc3F)cc2OC)CC1 ZINC000020452852 521687376 /nfs/dbraw/zinc/68/73/76/521687376.db2.gz SEJNYRYHFKKOGN-NRFANRHFSA-N 0 3 431.552 2.501 50 0 IFAAHN COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCCN3CCCC[C@H]3C)CC2)c1C ZINC000035425993 521749555 /nfs/dbraw/zinc/74/95/55/521749555.db2.gz KNARRSBSVKGFMZ-MRXNPFEDSA-N 0 3 446.592 2.651 50 0 IFAAHN COc1cc(CNCc2ccc(Cl)s2)ccc1OC[C@H](O)CN1CCC(O)CC1 ZINC000012197292 522464821 /nfs/dbraw/zinc/46/48/21/522464821.db2.gz VQRFAZPYJDLBTF-QGZVFWFLSA-N 0 3 440.993 2.896 50 0 IFAAHN CN(CCO)C(=O)c1cn([C@@H]2CCCN(Cc3ccc4c(c3)Cc3ccccc3-4)C2)nn1 ZINC000012133409 522879922 /nfs/dbraw/zinc/87/99/22/522879922.db2.gz WJVUQPCCFBVKDW-OAQYLSRUSA-N 0 3 431.540 2.751 50 0 IFAAHN COCc1ccc(C(=O)NCc2nnc3n2CCN(CC2=CC[C@H]4C[C@@H]2C4(C)C)CC3)o1 ZINC000012282168 522962542 /nfs/dbraw/zinc/96/25/42/522962542.db2.gz ACGWJIWVPRZPAM-HKUYNNGSSA-N 0 3 439.560 2.798 50 0 IFAAHN COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccsc1)CC2 ZINC000014748908 523290781 /nfs/dbraw/zinc/29/07/81/523290781.db2.gz RUOIMHRMNREXFD-UHFFFAOYSA-N 0 3 428.558 2.979 50 0 IFAAHN CN1CCN(C2(CNC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)CCCCC2)CC1 ZINC000020676610 523890847 /nfs/dbraw/zinc/89/08/47/523890847.db2.gz ICMSONGRUQVEGD-GOSISDBHSA-N 0 3 432.996 2.759 50 0 IFAAHN COc1ccc(CN(C)Cc2ccccc2Cl)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000020600295 524006955 /nfs/dbraw/zinc/00/69/55/524006955.db2.gz SJBCXGHCQUJWAP-NRFANRHFSA-N 0 3 448.007 2.968 50 0 IFAAHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CN(C)C)c3ccccc3)CC2)cc1 ZINC000012920812 525521241 /nfs/dbraw/zinc/52/12/41/525521241.db2.gz WLPQWJYMGSDWJO-QFIPXVFZSA-N 0 3 429.586 2.815 50 0 IFAAHN Cc1ccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN(C)C)no2)cc1C ZINC000036001629 525727681 /nfs/dbraw/zinc/72/76/81/525727681.db2.gz WCLWQSOKJZCJQZ-OAQYLSRUSA-N 0 3 434.540 2.977 50 0 IFAAHN O=C(CCN(C(=O)c1ccccc1)C1CCN(Cc2ccccc2)CC1)N1CCNCC1 ZINC000035421919 526473411 /nfs/dbraw/zinc/47/34/11/526473411.db2.gz ZNLJAILNZYWAGV-UHFFFAOYSA-N 0 3 434.584 2.615 50 0 IFAAHN O=C(c1cn(CCCNCc2ccc(-c3ccccc3Cl)o2)nn1)N1CCOCC1 ZINC000012150640 526864482 /nfs/dbraw/zinc/86/44/82/526864482.db2.gz BNHYOMXAFWXDBI-UHFFFAOYSA-N 0 3 429.908 2.844 50 0 IFAAHN O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc21)N1CCN(c2ccncc2)CC1 ZINC000012791607 526927027 /nfs/dbraw/zinc/92/70/27/526927027.db2.gz DNCQTDBUSQQIGZ-UHFFFAOYSA-N 0 3 425.492 2.802 50 0 IFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(c2nc3ccccc3[nH]c2=O)CC1 ZINC000022582880 527531123 /nfs/dbraw/zinc/53/11/23/527531123.db2.gz LKNMLMNUMNZSJT-UHFFFAOYSA-N 0 3 445.567 2.920 50 0 IFAAHN COC(=O)c1cccc(OC[C@@H](O)CN(C)Cc2ccc(OC(F)F)c(OC)c2)c1 ZINC000009126570 555509706 /nfs/dbraw/zinc/50/97/06/555509706.db2.gz KCAGYINEGRRXAN-INIZCTEOSA-N 0 3 425.428 2.955 50 0 IFAAHN Cn1c2nc(SCCN3CCCCC3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000000634912 555516669 /nfs/dbraw/zinc/51/66/69/555516669.db2.gz JITKPWYHHRRNRD-UHFFFAOYSA-N 0 3 447.992 2.713 50 0 IFAAHN CCc1ccc([C@H](CNC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C(F)(F)F)N(C)C)cc1 ZINC000032734922 556305609 /nfs/dbraw/zinc/30/56/09/556305609.db2.gz VHTMCXBOQWZGPO-INIZCTEOSA-N 0 3 448.449 2.982 50 0 IFAAHN O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000022930045 556403533 /nfs/dbraw/zinc/40/35/33/556403533.db2.gz IAHYMBCICRECRE-NRFANRHFSA-N 0 3 449.624 2.805 50 0 IFAAHN CCOC(=O)c1cc(NC(=O)CNC[C@@H](c2ccccc2)N(C)C)cc(C(=O)OCC)c1 ZINC000022930311 556403965 /nfs/dbraw/zinc/40/39/65/556403965.db2.gz JZCHNPWGTIIDRC-NRFANRHFSA-N 0 3 441.528 2.871 50 0 IFAAHN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1ccc(F)cc1F)C2 ZINC000014536984 556423770 /nfs/dbraw/zinc/42/37/70/556423770.db2.gz BDXOUJCTLYYZHN-GOSISDBHSA-N 0 3 432.515 2.937 50 0 IFAAHN CC(C)CNc1cc(C(=O)NC[C@H]2CCCN(C)C2)cc(S(=O)(=O)NC(C)(C)C)c1 ZINC000014732274 556437227 /nfs/dbraw/zinc/43/72/27/556437227.db2.gz UGXNBVNMMOLQDX-QGZVFWFLSA-N 0 3 438.638 2.903 50 0 IFAAHN COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccccc3)CC2)C1=O ZINC000014740404 556438148 /nfs/dbraw/zinc/43/81/48/556438148.db2.gz ZBMTZROJDZEMDU-UHFFFAOYSA-N 0 3 435.524 2.701 50 0 IFAAHN COCCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccc(O)cc3)CC2)C1=O ZINC000014746497 556441147 /nfs/dbraw/zinc/44/11/47/556441147.db2.gz JAIPEOBNVDNVLB-UHFFFAOYSA-N 0 3 437.540 2.880 50 0 IFAAHN O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCO2)CN(Cc2ccncc2)C1 ZINC000014749651 556442952 /nfs/dbraw/zinc/44/29/52/556442952.db2.gz ASRYGAOPAFTPJJ-JQVVWYNYSA-N 0 3 440.519 2.593 50 0 IFAAHN CCCOc1c(Br)cc(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1OC ZINC000072272938 556445892 /nfs/dbraw/zinc/44/58/92/556445892.db2.gz RQXWKBYNOWRJHK-HNNXBMFYSA-N 0 3 442.398 2.860 50 0 IFAAHN CCCOc1c(Br)cc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1OC ZINC000072272937 556445990 /nfs/dbraw/zinc/44/59/90/556445990.db2.gz RQXWKBYNOWRJHK-OAHLLOKOSA-N 0 3 442.398 2.860 50 0 IFAAHN COc1ccc(CN2CCC3(CC[C@@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c(OC)c1C ZINC000014883578 556454764 /nfs/dbraw/zinc/45/47/64/556454764.db2.gz ADYCOUFTJMAKOC-FPOVZHCZSA-N 0 3 432.561 2.821 50 0 IFAAHN COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)N4CC[C@@H](N(C)C)C4)c3C)nc1-2 ZINC000014951574 556460677 /nfs/dbraw/zinc/46/06/77/556460677.db2.gz ZDWAFSVEEUPJOH-GOSISDBHSA-N 0 3 432.528 2.521 50 0 IFAAHN COc1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000029090714 556467299 /nfs/dbraw/zinc/46/72/99/556467299.db2.gz ZHHDRUXRKHDUES-MRXNPFEDSA-N 0 3 435.590 2.615 50 0 IFAAHN COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N(C)C4CCN(C)CC4)c3C)ncc1CC2 ZINC000014987137 556473407 /nfs/dbraw/zinc/47/34/07/556473407.db2.gz QVWYHHOKRXWYFG-UHFFFAOYSA-N 0 3 446.555 2.911 50 0 IFAAHN CCCN1CCN(CCCNC(=O)[C@H]2Cc3ccccc3N2C(=O)c2ccccc2)CC1 ZINC000022937726 556506607 /nfs/dbraw/zinc/50/66/07/556506607.db2.gz LYSBKQANDZYGHM-XMMPIXPASA-N 0 3 434.584 2.792 50 0 IFAAHN COc1ccc([C@H](CNC(=O)CCNC(=O)c2ccc(Br)cc2)N(C)C)cc1 ZINC000015387765 556523969 /nfs/dbraw/zinc/52/39/69/556523969.db2.gz OUSRBAFGAQEEJC-IBGZPJMESA-N 0 3 448.361 2.997 50 0 IFAAHN CC(C)N1C[C@H](NCc2cc(F)ccc2F)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000032561069 556540785 /nfs/dbraw/zinc/54/07/85/556540785.db2.gz KPHRRHXSHCZLTE-CTNGQTDRSA-N 0 3 445.510 2.993 50 0 IFAAHN COCCCN1CCCN([C@H](C)C(=O)Nc2cccc(I)c2)CC1 ZINC000072308504 556565317 /nfs/dbraw/zinc/56/53/17/556565317.db2.gz SQHUZJQTFZSKCA-OAHLLOKOSA-N 0 3 445.345 2.662 50 0 IFAAHN NC(=O)c1cc([C@H](O)CNC[C@H]2COc3ccccc3O2)ccc1OCc1ccccc1 ZINC000022589472 556578152 /nfs/dbraw/zinc/57/81/52/556578152.db2.gz MUDKZNGUXRBVIH-PZJWPPBQSA-N 0 3 434.492 2.828 50 0 IFAAHN Cc1ccc(NC(=O)c2nnc(COCC(=O)NCCN3CCCCCC3)s2)cc1 ZINC000032987481 556607673 /nfs/dbraw/zinc/60/76/73/556607673.db2.gz CQPXYYUPGXGCPK-UHFFFAOYSA-N 0 3 431.562 2.608 50 0 IFAAHN O=C(c1ccc(CN2CCCCC2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000017053226 556654386 /nfs/dbraw/zinc/65/43/86/556654386.db2.gz RRPIEGHCLNMQEZ-UHFFFAOYSA-N 0 3 427.570 2.819 50 0 IFAAHN O=C(NCCN1CCCCCC1)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 ZINC000033010195 556658159 /nfs/dbraw/zinc/65/81/59/556658159.db2.gz FXDJFXPIHHPGAZ-UHFFFAOYSA-N 0 3 447.587 3.000 50 0 IFAAHN CCN1CCN(CCNC(=O)CSc2ncnc3c2sc2cccc(F)c23)CC1 ZINC000033010209 556658170 /nfs/dbraw/zinc/65/81/70/556658170.db2.gz LEMTYOPGXIFGQW-UHFFFAOYSA-N 0 3 433.578 2.829 50 0 IFAAHN Cc1nc(CCNCc2c(C(=O)N(C)C)nc3ccc(Cl)cn32)nc2c1CCCC2 ZINC000019111162 556699990 /nfs/dbraw/zinc/69/99/90/556699990.db2.gz PXSPOMHUVYNQAC-UHFFFAOYSA-N 0 3 426.952 2.999 50 0 IFAAHN CN(C)CCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccc(F)cc3)s2)c1 ZINC000033027649 556707167 /nfs/dbraw/zinc/70/71/67/556707167.db2.gz ILOSQRYSGLLHDZ-UHFFFAOYSA-N 0 3 443.504 2.800 50 0 IFAAHN O=C(Cc1cccc(F)c1)NCc1nnc2n1CCN(Cc1cccc3cccnc31)CC2 ZINC000019229549 556717989 /nfs/dbraw/zinc/71/79/89/556717989.db2.gz LSPAPBFQSRHODV-UHFFFAOYSA-N 0 3 444.514 2.883 50 0 IFAAHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)CSc1ccc2c(c1)OCCO2 ZINC000058229454 556774068 /nfs/dbraw/zinc/77/40/68/556774068.db2.gz SGZZUVKLJNPPMB-QGZVFWFLSA-N 0 3 436.574 2.816 50 0 IFAAHN CNS(=O)(=O)c1cccc(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000059332586 556797989 /nfs/dbraw/zinc/79/79/89/556797989.db2.gz WKDQTQJGMAYBJM-NRFANRHFSA-N 0 3 429.586 2.798 50 0 IFAAHN Cc1nc(CCNCc2c(C(=O)N3CCCN(C)CC3)nc3sccn23)sc1C ZINC000019635018 556834704 /nfs/dbraw/zinc/83/47/04/556834704.db2.gz VCVDSXCPKJNTOF-UHFFFAOYSA-N 0 3 432.619 2.579 50 0 IFAAHN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCN(c2ccncc2)C1 ZINC000033128876 556865977 /nfs/dbraw/zinc/86/59/77/556865977.db2.gz NAWKGNYKJBIAIU-FQEVSTJZSA-N 0 3 425.552 2.766 50 0 IFAAHN c1cc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc2nonc12 ZINC000019739631 556878648 /nfs/dbraw/zinc/87/86/48/556878648.db2.gz MBPMZHIYLPYXSB-FQEVSTJZSA-N 0 3 435.528 2.734 50 0 IFAAHN COCCCN1C(=O)C(CC(=O)Nc2ccc(NC(C)=O)cc2)n2c3ccccc3nc21 ZINC000020103407 556980754 /nfs/dbraw/zinc/98/07/54/556980754.db2.gz UVYLTSPSFNNJJI-HXUWFJFHSA-N 0 3 435.484 2.948 50 0 IFAAHN CN1CCC(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1 ZINC000023421591 557091705 /nfs/dbraw/zinc/09/17/05/557091705.db2.gz RAMTYBZJBNACNE-UHFFFAOYSA-N 0 3 434.389 2.605 50 0 IFAAHN CN(C)Cc1ccccc1CNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000023444827 557092500 /nfs/dbraw/zinc/09/25/00/557092500.db2.gz DGYITOJIYWSLLV-UHFFFAOYSA-N 0 3 443.345 2.927 50 0 IFAAHN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@H](c3ccccc3)N3CCCC3)C2=O)cc1 ZINC000023737946 557112359 /nfs/dbraw/zinc/11/23/59/557112359.db2.gz TZAKCOCVUXEYLM-BWKNWUBXSA-N 0 3 434.540 2.715 50 0 IFAAHN O=C1C[C@@H](NCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000102405664 557301569 /nfs/dbraw/zinc/30/15/69/557301569.db2.gz INGHCKPFBGOOPN-OAQYLSRUSA-N 0 3 444.938 2.913 50 0 IFAAHN CCc1ccc([C@@H](CNC(=O)/C=C/c2ccc(OC)c(S(=O)(=O)NC)c2)N(C)C)cc1 ZINC000032733306 557314434 /nfs/dbraw/zinc/31/44/34/557314434.db2.gz GAESAFIXRSEJAE-YNEJIKTKSA-N 0 3 445.585 2.598 50 0 IFAAHN COc1ccc([C@H](CN2C(=O)CN(Cc3cc(OC)cc(OC)c3)C2=O)N(C)C)cc1 ZINC000225450765 557724212 /nfs/dbraw/zinc/72/42/12/557724212.db2.gz LGGMJXNIXUVFQH-NRFANRHFSA-N 0 3 427.501 2.780 50 0 IFAAHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000225759093 557773834 /nfs/dbraw/zinc/77/38/34/557773834.db2.gz FNNHEDDRSCHIDX-NRFANRHFSA-N 0 3 447.587 2.758 50 0 IFAAHN CC[C@H]1CCCCN1Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)o1 ZINC000002433407 562927636 /nfs/dbraw/zinc/92/76/36/562927636.db2.gz SVULNGAEWAIQRI-HNNXBMFYSA-N 0 3 433.530 2.968 50 0 IFAAHN CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCC[NH+]3CCCCC3)c([O-])c2c1 ZINC000006181396 562946409 /nfs/dbraw/zinc/94/64/09/562946409.db2.gz ZMKJOGAJJFTPPZ-UHFFFAOYSA-N 0 3 448.589 2.577 50 0 IFAAHN CCCN1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(OC(C)C)cc3)NC(=O)N2)CC1 ZINC000020214453 563024151 /nfs/dbraw/zinc/02/41/51/563024151.db2.gz OVCQQKDTQZCFAS-JOCHJYFZSA-N 0 3 444.576 2.673 50 0 IFAAHN CCCN1CCN(CC2=NC(=O)N[C@H](c3ccc(OC(C)C)cc3)C2C(=O)OCC)CC1 ZINC000020214453 563024152 /nfs/dbraw/zinc/02/41/52/563024152.db2.gz OVCQQKDTQZCFAS-JOCHJYFZSA-N 0 3 444.576 2.673 50 0 IFAAHN O=C(c1n[nH]c2c1CCC2)N1CCC2(C[C@@H]2C(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000299767345 568756439 /nfs/dbraw/zinc/75/64/39/568756439.db2.gz QTKAZSRZKVQGOY-HXUWFJFHSA-N 0 3 439.604 2.618 50 0 IFAAHN COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c(C)c1C ZINC000015671274 568802330 /nfs/dbraw/zinc/80/23/30/568802330.db2.gz ZXDRCUGFAIHHBS-UHFFFAOYSA-N 0 3 445.589 2.522 50 0 IFAAHN Cc1ccc(CN2CC[C@H](CNC(=O)CCc3nnc4ccc(N5CCCC5)nn43)C2)cc1 ZINC000015678737 568805358 /nfs/dbraw/zinc/80/53/58/568805358.db2.gz RMZVLCGEOVQVQC-OAQYLSRUSA-N 0 3 447.587 2.604 50 0 IFAAHN CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NC[C@@H]4CCCN4CC)CC3)ccc21 ZINC000015784263 568827183 /nfs/dbraw/zinc/82/71/83/568827183.db2.gz KGELEVYYRWMHMO-FQEVSTJZSA-N 0 3 446.617 2.662 50 0 IFAAHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)NC(=O)NCc2ccco2)[C@@H]2CCCC[C@@H]12 ZINC000241587902 568912284 /nfs/dbraw/zinc/91/22/84/568912284.db2.gz OYBLANNHSRRSGN-FLFBIERCSA-N 0 3 432.565 2.789 50 0 IFAAHN O=C(CCn1ccn2nc3c(c2c1=O)CCCC3)NC1CCN(Cc2ccccc2)CC1 ZINC000169760149 569094561 /nfs/dbraw/zinc/09/45/61/569094561.db2.gz ZWVYRSVBEFQCRU-UHFFFAOYSA-N 0 3 433.556 2.546 50 0 IFAAHN CCOC(=O)N1CCC(NC(=O)c2ccc(N3CCN[C@@H](c4ccccc4)C3)nc2)CC1 ZINC000065256163 569123134 /nfs/dbraw/zinc/12/31/34/569123134.db2.gz XQVQERBCFIERCF-OAQYLSRUSA-N 0 3 437.544 2.583 50 0 IFAAHN O=C(c1cccc(N2CCN[C@@H](c3ccccc3)C2)n1)N1CCN(c2ccccn2)CC1 ZINC000065256218 569123206 /nfs/dbraw/zinc/12/32/06/569123206.db2.gz QPAHSEJOMZLONM-JOCHJYFZSA-N 0 3 428.540 2.590 50 0 IFAAHN Cn1ccnc1COc1ccc(C(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC000065604807 569140046 /nfs/dbraw/zinc/14/00/46/569140046.db2.gz PYBYPTCGFQKWOP-FQEVSTJZSA-N 0 3 447.539 2.949 50 0 IFAAHN COc1ccc(C(=O)N(C)CCN(C)C2CC2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000170598371 569142294 /nfs/dbraw/zinc/14/22/94/569142294.db2.gz YTYHGMANRURMIF-IRXDYDNUSA-N 0 3 437.606 2.528 50 0 IFAAHN C[C@@H]1CN(c2ccc(NC(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)cc2F)C[C@H](C)O1 ZINC000252458402 569184415 /nfs/dbraw/zinc/18/44/15/569184415.db2.gz FLFBYGKGRXYZJP-FVJLSDCUSA-N 0 3 449.571 2.504 50 0 IFAAHN CN1CC[C@H](NCC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)[C@@H]1c1ccccc1 ZINC000252535851 569189903 /nfs/dbraw/zinc/18/99/03/569189903.db2.gz HANQKENKIZAUFV-GMAHTHKFSA-N 0 3 438.597 2.849 50 0 IFAAHN CC(C)N1CCN([C@H]2CCOC3(CCN(C(=O)c4nn(C)c5ccccc54)CC3)C2)CC1 ZINC000581819722 569211465 /nfs/dbraw/zinc/21/14/65/569211465.db2.gz FANRWGQETQWFIX-FQEVSTJZSA-N 0 3 439.604 2.753 50 0 IFAAHN CC(C)CN1CCN([C@@H]2CCOC3(CCN(C(=O)COc4ccccc4)CC3)C2)CC1 ZINC000581820190 569211825 /nfs/dbraw/zinc/21/18/25/569211825.db2.gz XHYRVGUUVBWEFA-JOCHJYFZSA-N 0 3 429.605 2.879 50 0 IFAAHN CCc1nc(C)c(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)[nH]1 ZINC000019939282 569332134 /nfs/dbraw/zinc/33/21/34/569332134.db2.gz JQJXRHPQSNITLB-FQEVSTJZSA-N 0 3 425.577 2.791 50 0 IFAAHN COC(=O)[C@H]1CCCC[C@@]1(C)NCC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000095444035 569366993 /nfs/dbraw/zinc/36/69/93/569366993.db2.gz XEOMURKUNOTBDR-WZONZLPQSA-N 0 3 427.501 2.860 50 0 IFAAHN O=C(Nc1cnn(CCN2CCCCC2)c1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000095459049 569369299 /nfs/dbraw/zinc/36/92/99/569369299.db2.gz NSTFAGXAIRZPRC-LJQANCHMSA-N 0 3 427.524 2.999 50 0 IFAAHN CC(C)N1CCN(c2ccc(C(=O)Nc3cn(C)cc(Br)c3=O)cc2)CC1 ZINC000095467896 569371185 /nfs/dbraw/zinc/37/11/85/569371185.db2.gz YKCJUJMWDSPLIQ-UHFFFAOYSA-N 0 3 433.350 2.931 50 0 IFAAHN Cc1nn(CC(=O)NCCN2CCCC[C@H]2C)c(=O)c2nc(-c3ccccc3)sc21 ZINC000096400181 569400345 /nfs/dbraw/zinc/40/03/45/569400345.db2.gz AOOLEIAQZGOAGI-OAHLLOKOSA-N 0 3 425.558 2.819 50 0 IFAAHN Cc1ncc(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)c(-c2ccccc2)n1 ZINC000670455614 569458104 /nfs/dbraw/zinc/45/81/04/569458104.db2.gz SHTPSZHKLBANIM-PIFVYSLYSA-N 0 3 439.563 2.749 50 0 IFAAHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3c(OC)cccc3OC)cc2)CC1 ZINC000004123077 569460088 /nfs/dbraw/zinc/46/00/88/569460088.db2.gz GOESJRRTCWJKNS-UHFFFAOYSA-N 0 3 428.558 2.973 50 0 IFAAHN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000032398981 569461544 /nfs/dbraw/zinc/46/15/44/569461544.db2.gz JHUUHBHIXJWPJS-UHFFFAOYSA-N 0 3 429.586 2.895 50 0 IFAAHN Cc1nc(NCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc(N2CCCC2)n1 ZINC000038670703 569466487 /nfs/dbraw/zinc/46/64/87/569466487.db2.gz FNYKYRUAJDOJNH-UHFFFAOYSA-N 0 3 429.468 2.794 50 0 IFAAHN Cn1c(=O)c2c(SCCN3CCCC3)nc(-c3ccccc3Cl)nc2n(C)c1=O ZINC000008899277 569484056 /nfs/dbraw/zinc/48/40/56/569484056.db2.gz GKDVZWPALMHMSW-UHFFFAOYSA-N 0 3 431.949 2.536 50 0 IFAAHN CCCCN(CC)CCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O ZINC000040450184 569506300 /nfs/dbraw/zinc/50/63/00/569506300.db2.gz KHFZNMCZSIQHCQ-UHFFFAOYSA-N 0 3 446.411 2.758 50 0 IFAAHN COC(=O)c1cccc(OC[C@H](O)CN(C)Cc2ccc(OC(F)F)c(OC)c2)c1 ZINC000009126571 569505002 /nfs/dbraw/zinc/50/50/02/569505002.db2.gz KCAGYINEGRRXAN-MRXNPFEDSA-N 0 3 425.428 2.955 50 0 IFAAHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)COc1ccc(Br)cc1F ZINC000069923648 569523963 /nfs/dbraw/zinc/52/39/63/569523963.db2.gz YSJFECAFURWPTO-UHFFFAOYSA-N 0 3 433.318 2.699 50 0 IFAAHN CN1CCN(CCc2ccc(NC(=O)CCC(=O)N3CCc4sccc4C3)cc2)CC1 ZINC000069950301 569525301 /nfs/dbraw/zinc/52/53/01/569525301.db2.gz XPAPMYCPDKOWEV-UHFFFAOYSA-N 0 3 440.613 2.842 50 0 IFAAHN O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCCCC1)NC[C@@H]1CCCO1 ZINC000009473078 569539015 /nfs/dbraw/zinc/53/90/15/569539015.db2.gz RXDDTLIIRLNBIG-SFHVURJKSA-N 0 3 444.601 2.660 50 0 IFAAHN CC(=O)c1cccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)c1 ZINC000009747397 569565834 /nfs/dbraw/zinc/56/58/34/569565834.db2.gz WOSHOVMMQWOIRK-UHFFFAOYSA-N 0 3 428.558 2.617 50 0 IFAAHN NC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)N2CCCC2)cc1 ZINC000010334250 569581090 /nfs/dbraw/zinc/58/10/90/569581090.db2.gz RZXVAFSFBIBKLE-QFIPXVFZSA-N 0 3 430.508 2.831 50 0 IFAAHN CN(Cc1ccccc1NC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1)c1ccccc1 ZINC000328596539 569583020 /nfs/dbraw/zinc/58/30/20/569583020.db2.gz AWTAEMKVSCVGRE-UHFFFAOYSA-N 0 3 446.555 3.363 50 0 IFAAHN CCN1CCN(c2ccc(C(=O)NCc3nc(-c4ccc(OC)cc4)n[nH]3)cc2F)CC1 ZINC000078440317 569586693 /nfs/dbraw/zinc/58/66/93/569586693.db2.gz NMWJXUOWRCIQAM-UHFFFAOYSA-N 0 3 438.507 2.691 50 0 IFAAHN CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O ZINC000003938686 132268083 /nfs/dbraw/zinc/26/80/83/132268083.db2.gz AHJRHEGDXFFMBM-UHFFFAOYSA-N 0 3 447.543 2.966 50 0 fda IFAAHN CNc1nc(OCC(F)(F)F)nc(N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000004573282 132272342 /nfs/dbraw/zinc/27/23/42/132272342.db2.gz LBPFBHWNKHUCPU-UHFFFAOYSA-N 0 3 426.487 2.945 50 0 IFAAHN Cn1c2nc3n(c2c(=O)n(CCN2CCCCC2)c1=O)CCCN3c1ccc(Cl)cc1 ZINC000008774827 132294094 /nfs/dbraw/zinc/29/40/94/132294094.db2.gz QYBDOHIVTXYVLI-UHFFFAOYSA-N 0 3 442.951 2.578 50 0 IFAAHN CN(C)c1nc(OCC(F)(F)F)nc(N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000008856781 132296427 /nfs/dbraw/zinc/29/64/27/132296427.db2.gz CCHGBYLCGJTQQN-UHFFFAOYSA-N 0 3 440.514 2.970 50 0 IFAAHN CCOC[C@H](O)CNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012702535 520159845 /nfs/dbraw/zinc/15/98/45/520159845.db2.gz LHXKKBNVOKKNRO-JOCHJYFZSA-N 0 3 426.557 2.900 50 0 IFAAHN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCCN3CCCCC3)CC2)c1C ZINC000035425979 521377005 /nfs/dbraw/zinc/37/70/05/521377005.db2.gz RWGDQEWBEZZNIM-UHFFFAOYSA-N 0 3 446.592 2.653 50 0 IFAAHN CCN1CCN(CCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)CC1 ZINC000020985640 521683195 /nfs/dbraw/zinc/68/31/95/521683195.db2.gz WKZQOBLMWAWTJZ-UHFFFAOYSA-N 0 3 428.602 2.619 50 0 IFAAHN CCN1CCN(C[C@@H](O)COc2ccc(CNCc3ccc(F)c(F)c3)cc2OC)CC1 ZINC000022918898 521684538 /nfs/dbraw/zinc/68/45/38/521684538.db2.gz BFKRXPCNAJIDOG-HXUWFJFHSA-N 0 3 449.542 2.640 50 0 IFAAHN CCN1CCN(c2ccc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2C)CC1 ZINC000012728519 521697963 /nfs/dbraw/zinc/69/79/63/521697963.db2.gz DVEFCAILRAQDFB-PMACEKPBSA-N 0 3 426.561 2.641 50 0 IFAAHN CN(CC(=O)NC[C@@H](c1cccs1)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000012779915 522482125 /nfs/dbraw/zinc/48/21/25/522482125.db2.gz LCSXAHSXMRYPKH-KRWDZBQOSA-N 0 3 442.006 2.975 50 0 IFAAHN COc1cc(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cc(OC)c1 ZINC000021795860 522685225 /nfs/dbraw/zinc/68/52/25/522685225.db2.gz YAAGSNQKDFLBMJ-UHFFFAOYSA-N 0 3 426.521 2.757 50 0 IFAAHN CCc1nn(CCCC(=O)NCCN2CCCCCC2)c(=O)c2cc3oc(C)cc3n21 ZINC000020862490 522705113 /nfs/dbraw/zinc/70/51/13/522705113.db2.gz NQRDLDLSYLJYDQ-UHFFFAOYSA-N 0 3 427.549 2.885 50 0 IFAAHN CN(CCCNC(=O)c1cc(-c2ccccc2)nc2c(C(N)=O)ncn21)Cc1ccccc1 ZINC000012520114 522765196 /nfs/dbraw/zinc/76/51/96/522765196.db2.gz QOLIXUGJQOKELV-UHFFFAOYSA-N 0 3 442.523 2.747 50 0 IFAAHN COc1cc(OC)c(OC)cc1CN1CCCC[C@@H]1CCn1cc(C(=O)NC(C)C)nn1 ZINC000012190289 522820330 /nfs/dbraw/zinc/82/03/30/522820330.db2.gz OTJLIYQDVVVOQG-GOSISDBHSA-N 0 3 445.564 2.887 50 0 IFAAHN COC(=O)C1=C(CNCCc2ccc(OC)c(OC)c2)NC(=O)N[C@H]1c1ccccc1C ZINC000012463039 522889170 /nfs/dbraw/zinc/88/91/70/522889170.db2.gz UYJQNANPEPPCGH-QFIPXVFZSA-N 0 3 439.512 2.626 50 0 IFAAHN CN(CCc1cnn(C)c1)Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000020541311 522985864 /nfs/dbraw/zinc/98/58/64/522985864.db2.gz NICZQQRMYXZQRF-RUZDIDTESA-N 0 3 434.584 2.893 50 0 IFAAHN CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1ccc(Cn2cnnn2)cc1 ZINC000012439631 523045344 /nfs/dbraw/zinc/04/53/44/523045344.db2.gz ZNHWEYPVNUKNFX-FQEVSTJZSA-N 0 3 436.535 2.887 50 0 IFAAHN CN(Cc1cnn(C)c1)Cc1ccc(OC2CCN(C(=O)C3CCN(C)CC3)CC2)cc1 ZINC000012454818 523514197 /nfs/dbraw/zinc/51/41/97/523514197.db2.gz QNIUFPFXKIEFFG-UHFFFAOYSA-N 0 3 439.604 2.764 50 0 IFAAHN COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2cnn(Cc3ccccc3)c2)CC1 ZINC000014956330 523811516 /nfs/dbraw/zinc/81/15/16/523811516.db2.gz CXIXPVWAVVYWLV-XMMPIXPASA-N 0 3 440.588 2.911 50 0 IFAAHN CCc1cc2c(cc3c(=O)n(CC(=O)NCCN4CCCCCC4)nc(CC)n23)s1 ZINC000020862689 523844809 /nfs/dbraw/zinc/84/48/09/523844809.db2.gz OPFLGOWUWMYROO-UHFFFAOYSA-N 0 3 429.590 2.828 50 0 IFAAHN CN1CCN(CCCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)CC1 ZINC000020985621 523896191 /nfs/dbraw/zinc/89/61/91/523896191.db2.gz AWZLTJVQOIHIDK-UHFFFAOYSA-N 0 3 428.602 2.619 50 0 IFAAHN COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)c(C)c1C ZINC000020919317 524039879 /nfs/dbraw/zinc/03/98/79/524039879.db2.gz CIBXVBQCDJQJMS-GOSISDBHSA-N 0 3 441.576 2.566 50 0 IFAAHN COc1ccc(CNCc2c(F)cccc2F)cc1OC[C@@H](O)CN1CCCN(C)CC1 ZINC000020999364 524072311 /nfs/dbraw/zinc/07/23/11/524072311.db2.gz HZZZUUSWEOBDGY-IBGZPJMESA-N 0 3 449.542 2.640 50 0 IFAAHN COc1ccccc1CN1CCC[C@H](CN(CCN(C)C)C(=O)C(=O)c2ccco2)C1 ZINC000012585077 524448953 /nfs/dbraw/zinc/44/89/53/524448953.db2.gz JWAQVEQNJQXDRD-IBGZPJMESA-N 0 3 427.545 2.773 50 0 IFAAHN COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CNC2(c3ccccc3)CC2)c1 ZINC000012386672 524972132 /nfs/dbraw/zinc/97/21/32/524972132.db2.gz BIRUAVNBOGNHHB-JOCHJYFZSA-N 0 3 426.557 2.671 50 0 IFAAHN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCC1)N(CCN(C)C)C3=O ZINC000021856244 525644680 /nfs/dbraw/zinc/64/46/80/525644680.db2.gz UTWCCKSBFAMHJF-XMMPIXPASA-N 0 3 426.561 2.875 50 0 IFAAHN Cc1ccc(C(=O)N(CC(=O)N2CCNCC2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000021535062 526069902 /nfs/dbraw/zinc/06/99/02/526069902.db2.gz WMOQPSMDLGYCAI-UHFFFAOYSA-N 0 3 434.584 2.534 50 0 IFAAHN Oc1ccc(N2CCN(Cc3ccc(OC[C@H](O)CN4CCCCC4)cc3)CC2)cc1 ZINC000012441811 526351146 /nfs/dbraw/zinc/35/11/46/526351146.db2.gz AZGHXIJECIWEPV-XMMPIXPASA-N 0 3 425.573 2.940 50 0 IFAAHN Cc1noc2ncnc(N3CCC[C@@H](C(=O)NC4CCN(Cc5ccccc5)CC4)C3)c12 ZINC000020945082 526688685 /nfs/dbraw/zinc/68/86/85/526688685.db2.gz KIONEZIFUGWTKW-LJQANCHMSA-N 0 3 434.544 2.923 50 0 IFAAHN O=c1ccc2cc(S(=O)(=O)N3CCC[C@@H](CN4CCc5ccccc5C4)C3)ccc2[nH]1 ZINC000021113504 527488391 /nfs/dbraw/zinc/48/83/91/527488391.db2.gz AEYLJXKIZHVCCT-SFHVURJKSA-N 0 3 437.565 2.987 50 0 IFAAHN O=C(NCCN1CCCC1)c1cc2n(n1)CCN(Cc1ccc(Cl)c(Cl)c1)C2=O ZINC000034811582 555909424 /nfs/dbraw/zinc/90/94/24/555909424.db2.gz VFZMZGHZKGNSPD-UHFFFAOYSA-N 0 3 436.343 2.672 50 0 IFAAHN CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2c3ccc(OC)cc3[nH]c2C(=O)OC)C1 ZINC000004325453 556327580 /nfs/dbraw/zinc/32/75/80/556327580.db2.gz FYLZQLHJWXPYGZ-CQSZACIVSA-N 0 3 431.489 2.567 50 0 IFAAHN COc1cc(CNCCNC(=O)c2nonc2N)cc(Cl)c1OCc1ccccc1F ZINC000013942718 556340020 /nfs/dbraw/zinc/34/00/20/556340020.db2.gz WJXGYLTYBGAXIB-UHFFFAOYSA-N 0 3 449.870 2.552 50 0 IFAAHN CN(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1 ZINC000032781241 556349199 /nfs/dbraw/zinc/34/91/99/556349199.db2.gz YVSLUSGZPKCILK-NRFANRHFSA-N 0 3 427.526 2.791 50 0 IFAAHN COc1cc(CNCc2cc(F)ccc2C)ccc1OC[C@@H](O)CN1CCC(O)CC1 ZINC000011774144 556350710 /nfs/dbraw/zinc/35/07/10/556350710.db2.gz ULGQKIWZCPLZAS-QFIPXVFZSA-N 0 3 432.536 2.629 50 0 IFAAHN Cc1ccccc1[C@@]1(CC(=O)N(C)C2CCN(C)CC2)CC(=O)N(Cc2cccnc2)C1=O ZINC000011790974 556356111 /nfs/dbraw/zinc/35/61/11/556356111.db2.gz ZTDLIIASWWVGRF-AREMUKBSSA-N 0 3 448.567 2.530 50 0 IFAAHN CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1ccc(-c3ccc(Cl)cc3)o1)CC2 ZINC000014531425 556420705 /nfs/dbraw/zinc/42/07/05/556420705.db2.gz XDXNXLZAKHOCQT-UHFFFAOYSA-N 0 3 444.919 2.704 50 0 IFAAHN CC(C)CNc1cc(C(=O)NC[C@@H]2CCCN(C)C2)cc(S(=O)(=O)NC(C)(C)C)c1 ZINC000014732273 556437107 /nfs/dbraw/zinc/43/71/07/556437107.db2.gz UGXNBVNMMOLQDX-KRWDZBQOSA-N 0 3 438.638 2.903 50 0 IFAAHN O=C(NCCO)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)CN(Cc2ccncc2)C1 ZINC000014733726 556437895 /nfs/dbraw/zinc/43/78/95/556437895.db2.gz RECHKTDCQXNBIK-ZWKOTPCHSA-N 0 3 437.462 2.726 50 0 IFAAHN COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1ccccc1)CC2 ZINC000014743963 556440038 /nfs/dbraw/zinc/44/00/38/556440038.db2.gz QTYUBUHMYUWNMM-UHFFFAOYSA-N 0 3 436.556 2.960 50 0 IFAAHN Cc1c(CN2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3CCC(C)C)cnn1C ZINC000014744274 556440059 /nfs/dbraw/zinc/44/00/59/556440059.db2.gz SUGLBTSYZWJIGU-UHFFFAOYSA-N 0 3 438.576 2.969 50 0 IFAAHN COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1cccc(O)c1)CC2 ZINC000014744754 556440411 /nfs/dbraw/zinc/44/04/11/556440411.db2.gz ZUKPOGWLLULZGF-UHFFFAOYSA-N 0 3 437.540 2.880 50 0 IFAAHN COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cccc3cccnc31)CC2 ZINC000014884877 556455195 /nfs/dbraw/zinc/45/51/95/556455195.db2.gz KQNNUVJIKMXBQR-HXUWFJFHSA-N 0 3 436.560 2.734 50 0 IFAAHN COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)N4CC[C@H](N(C)C)C4)c3C)nc1-2 ZINC000014951578 556460628 /nfs/dbraw/zinc/46/06/28/556460628.db2.gz ZDWAFSVEEUPJOH-SFHVURJKSA-N 0 3 432.528 2.521 50 0 IFAAHN COc1ccccc1/C=C/CN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1 ZINC000014957086 556462800 /nfs/dbraw/zinc/46/28/00/556462800.db2.gz RXMRKNVFMAVXRO-VMPITWQZSA-N 0 3 449.530 2.856 50 0 IFAAHN O=c1c2c(ncn1CCN1CCOCC1)sc1c2CC[C@@H](NCc2ccccc2F)C1 ZINC000014985623 556472241 /nfs/dbraw/zinc/47/22/41/556472241.db2.gz GMXQRPLBINJBKE-QGZVFWFLSA-N 0 3 442.560 2.576 50 0 IFAAHN CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CCN(Cc2ccc4c(c2)CCO4)CC3)CC1 ZINC000014991842 556475599 /nfs/dbraw/zinc/47/55/99/556475599.db2.gz GOPBNCURESFQAX-FQEVSTJZSA-N 0 3 427.545 2.524 50 0 IFAAHN CCOC(=O)N1CCC(NC(=O)c2c(=O)cc(C)n(CCN3CCCCC3)c2CC)CC1 ZINC000014995796 556477969 /nfs/dbraw/zinc/47/79/69/556477969.db2.gz NDGXPCHXQBKMSW-UHFFFAOYSA-N 0 3 446.592 2.556 50 0 IFAAHN C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1Cl ZINC000072289518 556483782 /nfs/dbraw/zinc/48/37/82/556483782.db2.gz MDQAGVIRVRKKJF-JHJVBQTASA-N 0 3 436.405 2.998 50 0 IFAAHN COC(=O)C1CCN(C[C@@H](O)COc2ccc(CNCc3ccc(F)cc3)cc2)CC1 ZINC000015069602 556494597 /nfs/dbraw/zinc/49/45/97/556494597.db2.gz WBHXUVBMBGNQBK-JOCHJYFZSA-N 0 3 430.520 2.740 50 0 IFAAHN COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(N3CCOCC3)nc(C)n2)CC1 ZINC000033326806 556561680 /nfs/dbraw/zinc/56/16/80/556561680.db2.gz CZTQZBNMHXHGER-UHFFFAOYSA-N 0 3 446.939 2.638 50 0 IFAAHN CCOC(=O)CCN(CC(=O)Nc1sccc1C(=O)OCC)C[C@H]1CCCN1CC ZINC000072308753 556567490 /nfs/dbraw/zinc/56/74/90/556567490.db2.gz JRYNNMNUFPUTRL-MRXNPFEDSA-N 0 3 439.578 2.603 50 0 IFAAHN COc1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1S(=O)(=O)NC1CCCC1 ZINC000016599140 556616765 /nfs/dbraw/zinc/61/67/65/556616765.db2.gz GDGOOZHEJUZVSN-HXUWFJFHSA-N 0 3 445.585 2.949 50 0 IFAAHN COc1ccc(S(=O)(=O)N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000005073352 556631090 /nfs/dbraw/zinc/63/10/90/556631090.db2.gz HTESIISOJUWYFZ-UHFFFAOYSA-N 0 3 429.586 2.666 50 0 IFAAHN CCN1CCN(Cc2ccccc2CNC(=O)c2cccc(NS(=O)(=O)CC)c2)CC1 ZINC000032921828 556642464 /nfs/dbraw/zinc/64/24/64/556642464.db2.gz ZYVBUYBDUUQHMZ-UHFFFAOYSA-N 0 3 444.601 2.516 50 0 IFAAHN O=C(CCC1CCN(C(=O)C(=O)c2ccco2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000011753950 556651380 /nfs/dbraw/zinc/65/13/80/556651380.db2.gz XVJNSJNRIGVDLZ-NRFANRHFSA-N 0 3 437.540 2.872 50 0 IFAAHN O=C(Nc1ccc(F)c(F)c1)C1CC(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1 ZINC000061720357 556727724 /nfs/dbraw/zinc/72/77/24/556727724.db2.gz QUILDPUBDKSIRP-AWEZNQCLSA-N 0 3 440.406 2.772 50 0 IFAAHN CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)CC1 ZINC000078680169 556735094 /nfs/dbraw/zinc/73/50/94/556735094.db2.gz CQJIGPOAHHTBDW-VXKWHMMOSA-N 0 3 428.621 2.545 50 0 IFAAHN CN(C)C[C@@H](CNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@H](O)c1ccccc1 ZINC000058146463 556761748 /nfs/dbraw/zinc/76/17/48/556761748.db2.gz XBGIHIPTYWXXSD-DNVCBOLYSA-N 0 3 439.965 2.776 50 0 IFAAHN CC(C)C[C@H](CNC(=O)Nc1ccc(N2CCCN(C)CC2)c(F)c1)N1CCOCC1 ZINC000058265333 556776484 /nfs/dbraw/zinc/77/64/84/556776484.db2.gz BEFQYKLDDXKGGU-HXUWFJFHSA-N 0 3 435.588 2.836 50 0 IFAAHN CC[C@H](C)N(CCNC(=O)Cn1c2ccccc2n(CC)c(=O)c1=O)Cc1cccs1 ZINC000033068502 556823491 /nfs/dbraw/zinc/82/34/91/556823491.db2.gz UGWIQWDMOWJOMJ-KRWDZBQOSA-N 0 3 442.585 2.662 50 0 IFAAHN Cc1ccc(CN2CCCN(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000022995637 556833504 /nfs/dbraw/zinc/83/35/04/556833504.db2.gz GMMLLNGKBKWWNH-UHFFFAOYSA-N 0 3 430.499 2.536 50 0 IFAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)n1 ZINC000067603884 556843613 /nfs/dbraw/zinc/84/36/13/556843613.db2.gz DIHPMDKXPYCLCR-UHFFFAOYSA-N 0 3 430.940 2.938 50 0 IFAAHN CN(CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)Cc1ccccc1 ZINC000033131257 556871606 /nfs/dbraw/zinc/87/16/06/556871606.db2.gz CDEKXCQTFQQLCR-UHFFFAOYSA-N 0 3 435.977 2.986 50 0 IFAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)n1 ZINC000072139996 556899272 /nfs/dbraw/zinc/89/92/72/556899272.db2.gz CSQWGJKCCGUQLG-UHFFFAOYSA-N 0 3 447.946 2.683 50 0 IFAAHN c1cc2nonc2c(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000019790934 556915007 /nfs/dbraw/zinc/91/50/07/556915007.db2.gz JDLQKRVLWQNOBI-HXUWFJFHSA-N 0 3 435.528 2.734 50 0 IFAAHN COc1ccc(CN2CCC(N3CCN(CCO)CC3)CC2)cc1OCc1ccccc1 ZINC000019868434 556935247 /nfs/dbraw/zinc/93/52/47/556935247.db2.gz XHPFBWVICKABNV-UHFFFAOYSA-N 0 3 439.600 2.849 50 0 IFAAHN COCCCN1C(=O)C(CC(=O)Nc2ccc(NC(C)=O)cc2)n2c3ccccc3nc21 ZINC000020103410 556980999 /nfs/dbraw/zinc/98/09/99/556980999.db2.gz UVYLTSPSFNNJJI-FQEVSTJZSA-N 0 3 435.484 2.948 50 0 IFAAHN CCC(CC)[C@H](CNS(=O)(=O)c1cc2c(cc1Br)OCCO2)N(C)C ZINC000097166142 556994823 /nfs/dbraw/zinc/99/48/23/556994823.db2.gz SAJHBPXTPYUFMX-AWEZNQCLSA-N 0 3 435.384 2.865 50 0 IFAAHN COc1ccc(/C=C/CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1 ZINC000020201163 556997588 /nfs/dbraw/zinc/99/75/88/556997588.db2.gz MZUBTKQYPAMZED-HWKANZROSA-N 0 3 449.530 2.856 50 0 IFAAHN O=C1C[C@H](NCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000020437419 557016911 /nfs/dbraw/zinc/01/69/11/557016911.db2.gz INGHCKPFBGOOPN-NRFANRHFSA-N 0 3 444.938 2.913 50 0 IFAAHN CCOC(=O)c1cnn(-c2ccc(OC)cc2)c1CNCC1(N2CCOCC2)CCCC1 ZINC000023362716 557088016 /nfs/dbraw/zinc/08/80/16/557088016.db2.gz FBQXARPMPFURKX-UHFFFAOYSA-N 0 3 442.560 2.792 50 0 IFAAHN COc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2ccccc2)CC3)cc1OC ZINC000049400800 557096207 /nfs/dbraw/zinc/09/62/07/557096207.db2.gz KTFANQXYGQHHOC-UHFFFAOYSA-N 0 3 448.523 2.766 50 0 IFAAHN COc1cc(NC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2ccccc2)CC3)cc(OC)c1 ZINC000049400794 557096304 /nfs/dbraw/zinc/09/63/04/557096304.db2.gz KROMYIFQOPGMKV-UHFFFAOYSA-N 0 3 448.523 2.766 50 0 IFAAHN Cc1nc2c(c(=O)n1CC(=O)NCc1ccc(F)cc1F)CN(Cc1ccccc1)CC2 ZINC000049400865 557096622 /nfs/dbraw/zinc/09/66/22/557096622.db2.gz KCNCKSPIAMLWKN-UHFFFAOYSA-N 0 3 438.478 2.705 50 0 IFAAHN COc1ccc(Cl)c(NC(=O)C2CC(=O)Nc3c2c(=O)[nH]c(=O)n3CCC(C)C)c1 ZINC000049551752 557113576 /nfs/dbraw/zinc/11/35/76/557113576.db2.gz GTGTWCVOPBDLPY-GFCCVEGCSA-N 0 3 434.880 2.959 50 0 IFAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)n1 ZINC000015838322 557118645 /nfs/dbraw/zinc/11/86/45/557118645.db2.gz ZJORLTZWKVGZGZ-UHFFFAOYSA-N 0 3 433.512 2.844 50 0 IFAAHN CCOC(=O)c1cccc(OC[C@@H](O)CN2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000025306375 557203097 /nfs/dbraw/zinc/20/30/97/557203097.db2.gz SPEJKAUHWHEELZ-QFIPXVFZSA-N 0 3 430.520 2.950 50 0 IFAAHN Cc1ccc(CN2C[C@H](C(=O)NCCCN3CCN(C)C[C@H]3c3ccccc3)CC2=O)cc1 ZINC000105771239 557510412 /nfs/dbraw/zinc/51/04/12/557510412.db2.gz QIUQNOZTESHRCK-RPBOFIJWSA-N 0 3 448.611 2.839 50 0 IFAAHN COc1ccc(CN2CCOc3ccc([C@](C)(O)CN(C)C)cc3C2)c(OC)c1OC ZINC000012031157 557524217 /nfs/dbraw/zinc/52/42/17/557524217.db2.gz DFYGTXJEPVAMHL-XMMPIXPASA-N 0 3 430.545 2.876 50 0 IFAAHN Cc1cc(C(=O)CN2CC[C@@H](N(C)Cc3ccccc3)C2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000106922470 557533397 /nfs/dbraw/zinc/53/33/97/557533397.db2.gz JHOHVSDHIQXHKH-FGZHOGPDSA-N 0 3 443.613 2.854 50 0 IFAAHN C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccc(C[C@@H]4NC(=O)[N-]C4=O)cc3)cc2)C1 ZINC000108156060 557541344 /nfs/dbraw/zinc/54/13/44/557541344.db2.gz ALBLZTDCLVJBTB-VGSWGCGISA-N 0 3 449.555 2.991 50 0 IFAAHN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccc(C[C@@H]4NC(=O)[N-]C4=O)cc3)cc2)C1 ZINC000108156060 557541348 /nfs/dbraw/zinc/54/13/48/557541348.db2.gz ALBLZTDCLVJBTB-VGSWGCGISA-N 0 3 449.555 2.991 50 0 IFAAHN CN1CC[C@H](NCC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)[C@H]1c1ccccc1 ZINC000225845725 557784691 /nfs/dbraw/zinc/78/46/91/557784691.db2.gz HANQKENKIZAUFV-JTHBVZDNSA-N 0 3 438.597 2.849 50 0 IFAAHN COc1ccc(-c2nc(C[S@](=O)CC(=O)NCCCN3CCCC3)c(C)o2)cc1OC ZINC000004079705 562941613 /nfs/dbraw/zinc/94/16/13/562941613.db2.gz HTZDZRCLILGQEB-WJOKGBTCSA-N 0 3 449.573 2.518 50 0 IFAAHN CSCC[C@H](N)C(=O)N1CCC(C(=O)N[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000008952763 562966322 /nfs/dbraw/zinc/96/63/22/562966322.db2.gz CDSUCECIBOHFJN-UZLBHIALSA-N 0 3 448.633 2.572 50 0 IFAAHN CN(C)[C@@H](CNC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3)c1ccccc1 ZINC000012951060 562983671 /nfs/dbraw/zinc/98/36/71/562983671.db2.gz IQXVPCMPQCYJEL-INIZCTEOSA-N 0 3 442.610 2.995 50 0 IFAAHN O[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000023338445 563027145 /nfs/dbraw/zinc/02/71/45/563027145.db2.gz CWCNWYUPYPWGJA-JWQCQUIFSA-N 0 3 435.547 2.769 50 0 IFAAHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)CCCn4cncn4)C3)C2)c1OC ZINC000015063604 568635244 /nfs/dbraw/zinc/63/52/44/568635244.db2.gz GEWMKPSQRACXPC-QHCPKHFHSA-N 0 3 427.549 2.590 50 0 IFAAHN NS(=O)(=O)c1ccc(CCNCc2nn(Cc3ccccc3)nc2-c2ccccc2)cc1 ZINC000261492562 568734702 /nfs/dbraw/zinc/73/47/02/568734702.db2.gz ZDSAULLVXYCKQB-UHFFFAOYSA-N 0 3 447.564 2.973 50 0 IFAAHN O=C(NC[C@@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1)C1(N2CCCC2)CCCC1 ZINC000299760905 568755692 /nfs/dbraw/zinc/75/56/92/568755692.db2.gz PZRCAOAYHWCKGH-NRFANRHFSA-N 0 3 440.588 2.760 50 0 IFAAHN O=C(NC[C@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1)C1(N2CCCC2)CCCC1 ZINC000299760908 568755702 /nfs/dbraw/zinc/75/57/02/568755702.db2.gz PZRCAOAYHWCKGH-OAQYLSRUSA-N 0 3 440.588 2.760 50 0 IFAAHN Cc1ccccc1CN1CCCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)CC1 ZINC000084243904 568796581 /nfs/dbraw/zinc/79/65/81/568796581.db2.gz RFXHZLVNRWXALW-ONTIZHBOSA-N 0 3 430.618 2.755 50 0 IFAAHN Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCN4CCCCCC4)C3)ccc21 ZINC000015784482 568829214 /nfs/dbraw/zinc/82/92/14/568829214.db2.gz FSYFWTYOIPAHKN-HXUWFJFHSA-N 0 3 446.617 2.571 50 0 IFAAHN CCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1N1CC[NH2+]CC1 ZINC000015828240 568841218 /nfs/dbraw/zinc/84/12/18/568841218.db2.gz OJTCCFRODYMOKL-UHFFFAOYSA-N 0 3 436.965 2.690 50 0 IFAAHN Cc1ccc2nc(NC(=O)CSC(=S)N3CCN(CCN(C)C)CC3)sc2c1 ZINC000043214978 568843144 /nfs/dbraw/zinc/84/31/44/568843144.db2.gz PORCZUNNPGBSEA-UHFFFAOYSA-N 0 3 437.660 2.741 50 0 IFAAHN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)N[C@@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000015957076 568859972 /nfs/dbraw/zinc/85/99/72/568859972.db2.gz YRMOPAGMKRTMFB-JYEBCORGSA-N 0 3 447.535 2.889 50 0 IFAAHN Cc1cc(C(=O)CN2CC[C@@H](N(C)Cc3ccccc3)C2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000241124354 568912139 /nfs/dbraw/zinc/91/21/39/568912139.db2.gz JHOHVSDHIQXHKH-YADHBBJMSA-N 0 3 443.613 2.854 50 0 IFAAHN COc1ccc(OCCCN2CCN(CCCOc3ccc(OC)cc3)CC(O)C2)cc1 ZINC000089453808 568925330 /nfs/dbraw/zinc/92/53/30/568925330.db2.gz CYQNESVFJDMYPE-UHFFFAOYSA-N 0 3 444.572 2.920 50 0 IFAAHN COCc1cc(N2CCCC2)nc(SCc2ccc(C(=O)NCCN(C)C)cc2)n1 ZINC000006695500 568952396 /nfs/dbraw/zinc/95/23/96/568952396.db2.gz AVCPCZRXDYYXJQ-UHFFFAOYSA-N 0 3 429.590 2.807 50 0 IFAAHN Cc1ccc(CN2CC[C@H](CNC(=O)Cn3c4ccccc4c4cnn(C)c(=O)c43)C2)cc1 ZINC000064839367 568969602 /nfs/dbraw/zinc/96/96/02/568969602.db2.gz BOEYMSUZMRJNHY-HXUWFJFHSA-N 0 3 443.551 2.835 50 0 IFAAHN COc1cc(NC(=O)N2CCC(CC(=O)NCCN3CCCC3)CC2)cc(OC)c1OC ZINC000064846832 568972272 /nfs/dbraw/zinc/97/22/72/568972272.db2.gz AXTQHPPBAKNCNW-UHFFFAOYSA-N 0 3 448.564 2.558 50 0 IFAAHN COC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3cc(C)ccc3C)CC2)c(C)n1C ZINC000064923223 568986218 /nfs/dbraw/zinc/98/62/18/568986218.db2.gz OWGBQIZTVXLDQY-UHFFFAOYSA-N 0 3 447.601 2.927 50 0 IFAAHN CCn1c2c(C(=O)Nc3ccc(N4CCC(C)CC4)cc3)cnn2c(=O)c2c1CCNC2 ZINC000064966200 569001131 /nfs/dbraw/zinc/00/11/31/569001131.db2.gz XXERSKYYCRFZRT-UHFFFAOYSA-N 0 3 434.544 2.650 50 0 IFAAHN CCN1CCN(CCNC(=O)c2cnc(-c3ccc(C)cc3)nc2-c2ccncc2)CC1 ZINC000065153913 569112191 /nfs/dbraw/zinc/11/21/91/569112191.db2.gz XRCZKLAOJAKLDS-UHFFFAOYSA-N 0 3 430.556 2.881 50 0 IFAAHN O=C(Cn1c2cccnc2n(-c2ccccc2)c1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000065202367 569115989 /nfs/dbraw/zinc/11/59/89/569115989.db2.gz VZBAMOBESQTRBC-UHFFFAOYSA-N 0 3 441.535 2.968 50 0 IFAAHN O=C(Cn1ccc2ccc(N3CCOCC3)nc21)NC1CCN(Cc2ccccc2)CC1 ZINC000065212006 569117171 /nfs/dbraw/zinc/11/71/71/569117171.db2.gz URRVRXZLXJOCQS-UHFFFAOYSA-N 0 3 433.556 2.654 50 0 IFAAHN O=C(c1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1)N1CCN(c2ccccn2)CC1 ZINC000065256057 569123161 /nfs/dbraw/zinc/12/31/61/569123161.db2.gz PWTYUQJKJAWEAA-JOCHJYFZSA-N 0 3 428.540 2.590 50 0 IFAAHN CCOC(=O)N1CCC(NC(=O)c2cccc(N3CCN[C@@H](c4ccccc4)C3)n2)CC1 ZINC000065256332 569123370 /nfs/dbraw/zinc/12/33/70/569123370.db2.gz GVZFWOSEHCEQBO-OAQYLSRUSA-N 0 3 437.544 2.583 50 0 IFAAHN COc1cccc(Cn2c3cc(C(=O)NC4CCN(C)CC4)ccc3n3nccc3c2=O)c1 ZINC000065270935 569127611 /nfs/dbraw/zinc/12/76/11/569127611.db2.gz GXWYHKMBBFVLFF-UHFFFAOYSA-N 0 3 445.523 2.530 50 0 IFAAHN O=C(NCCN1CCCCCC1)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1 ZINC000065311520 569133735 /nfs/dbraw/zinc/13/37/35/569133735.db2.gz PBKVRJBZQISVPL-UHFFFAOYSA-N 0 3 437.588 2.500 50 0 IFAAHN CCC(=O)N1CCC[C@H](C(=O)OCCCN2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000170617216 569147121 /nfs/dbraw/zinc/14/71/21/569147121.db2.gz CHQXKIUMEGESFI-SFHVURJKSA-N 0 3 425.570 2.511 50 0 IFAAHN CN(C)[C@@H](CNC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000010025207 569151493 /nfs/dbraw/zinc/15/14/93/569151493.db2.gz PNDFZYAZNJWHEM-QFIPXVFZSA-N 0 3 425.554 2.879 50 0 IFAAHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)Cn1cnc2ccccc2c1=O ZINC000089702559 569161942 /nfs/dbraw/zinc/16/19/42/569161942.db2.gz DDGMLLXIXKJXSK-FQEVSTJZSA-N 0 3 442.523 2.987 50 0 IFAAHN CC(C)N1CCN([C@@H]2CCOC3(CCN(C(=O)c4nn(C)c5ccccc54)CC3)C2)CC1 ZINC000581819723 569211374 /nfs/dbraw/zinc/21/13/74/569211374.db2.gz FANRWGQETQWFIX-HXUWFJFHSA-N 0 3 439.604 2.753 50 0 IFAAHN O=C(Cc1ccccc1)N1CCC2(CC1)C[C@@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000581819715 569211433 /nfs/dbraw/zinc/21/14/33/569211433.db2.gz DGUNLBGJGCZOLS-QHCPKHFHSA-N 0 3 434.584 2.987 50 0 IFAAHN CC(C)CN1CCN([C@H]2CCOC3(CCN(C(=O)COc4ccccc4)CC3)C2)CC1 ZINC000581820191 569211735 /nfs/dbraw/zinc/21/17/35/569211735.db2.gz XHYRVGUUVBWEFA-QFIPXVFZSA-N 0 3 429.605 2.879 50 0 IFAAHN CN(C)CCn1cc(NC(=O)CCC[S@](=O)c2ccc(Br)cc2)cn1 ZINC000078928001 569320224 /nfs/dbraw/zinc/32/02/24/569320224.db2.gz NPSZEOSHMLATFR-RUZDIDTESA-N 0 3 427.368 2.734 50 0 IFAAHN Cc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1S(=O)(=O)NCc1ccccc1 ZINC000095466516 569370925 /nfs/dbraw/zinc/37/09/25/569370925.db2.gz FXRJAIMDHMSBDZ-PZJWPPBQSA-N 0 3 427.570 2.640 50 0 IFAAHN O=C(C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000095478476 569373540 /nfs/dbraw/zinc/37/35/40/569373540.db2.gz UJEFBOAZDKUKRL-JOCHJYFZSA-N 0 3 434.540 2.525 50 0 IFAAHN Cc1ccc(N(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 ZINC000095481686 569374053 /nfs/dbraw/zinc/37/40/53/569374053.db2.gz BUVMYZLYFKMNPE-UHFFFAOYSA-N 0 3 431.558 2.873 50 0 IFAAHN CC(C)COC(=O)N1CCCN(C[C@H](C)N2CCCN(C(=O)OCC(C)C)CC2)CC1 ZINC000095977352 569377798 /nfs/dbraw/zinc/37/77/98/569377798.db2.gz SYNNDJRAAMWDLH-NRFANRHFSA-N 0 3 440.629 2.976 50 0 IFAAHN O=C(NCc1ccccc1CN1CCC[C@@H]1CO)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000096011737 569379898 /nfs/dbraw/zinc/37/98/98/569379898.db2.gz BGSKLVSNAOEQGL-XPWALMASSA-N 0 3 427.589 2.688 50 0 IFAAHN C[C@@H](C(=O)NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)N1[C@H](C)CC[C@@H]1C ZINC000096256432 569388000 /nfs/dbraw/zinc/38/80/00/569388000.db2.gz KCGHMMOJZYXEQA-WZSLUPJVSA-N 0 3 445.541 2.829 50 0 IFAAHN CCN1CCC[C@H]1CNC(=O)c1nn(-c2ccc(OC)cc2OC)c(=O)c2ccccc21 ZINC000002942991 569426768 /nfs/dbraw/zinc/42/67/68/569426768.db2.gz BHMICYNVLYLXHX-INIZCTEOSA-N 0 3 436.512 2.617 50 0 IFAAHN CCn1nnnc1SCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057315402 569430921 /nfs/dbraw/zinc/43/09/21/569430921.db2.gz OSZAALDHZYTANF-UHFFFAOYSA-N 0 3 437.573 2.746 50 0 IFAAHN Cc1ccc(CN2C[C@@H](C(=O)NCCCN3CCN(C)C[C@H]3c3ccccc3)CC2=O)cc1 ZINC000230154394 569439640 /nfs/dbraw/zinc/43/96/40/569439640.db2.gz QIUQNOZTESHRCK-DQEYMECFSA-N 0 3 448.611 2.839 50 0 IFAAHN COc1cc(N2C[C@H](C(=O)Nc3ccccc3CN(C)C)CC2=O)cc(OC)c1OC ZINC000031231352 569455078 /nfs/dbraw/zinc/45/50/78/569455078.db2.gz PAIGPAPPAZBQAU-MRXNPFEDSA-N 0 3 427.501 2.766 50 0 IFAAHN Cc1ncc(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)c(-c2ccccc2)n1 ZINC000670455615 569458144 /nfs/dbraw/zinc/45/81/44/569458144.db2.gz SHTPSZHKLBANIM-PYLWXJQRSA-N 0 3 439.563 2.749 50 0 IFAAHN Cc1ccc(-c2cc(C(=O)N[C@H]3C4CN5CC3(c3ccccc3)CN(C4)CC5)[nH]n2)cc1 ZINC000670458625 569459956 /nfs/dbraw/zinc/45/99/56/569459956.db2.gz FDYNUICYLLLGJG-REXMIWGRSA-N 0 3 427.552 2.683 50 0 IFAAHN COc1cc(CC(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)cc(OC)c1OC ZINC000040081455 569486620 /nfs/dbraw/zinc/48/66/20/569486620.db2.gz PNCZHLLDQZLJAI-NRFANRHFSA-N 0 3 441.572 2.750 50 0 IFAAHN CCc1nn(CC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)c2cc3occc3n21 ZINC000008964953 569491239 /nfs/dbraw/zinc/49/12/39/569491239.db2.gz LGNUUMAGOHBFER-UHFFFAOYSA-N 0 3 433.512 2.585 50 0 IFAAHN CCOC(=O)C1CCN(CCC(=O)Nc2c3ccc(OC)cc3[nH]c2C(=O)OC)CC1 ZINC000009424834 569533128 /nfs/dbraw/zinc/53/31/28/569533128.db2.gz SMYBYHQQJHPMKL-UHFFFAOYSA-N 0 3 431.489 2.567 50 0 IFAAHN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCN1CCC(C(=O)OCC)CC1 ZINC000009428420 569533575 /nfs/dbraw/zinc/53/35/75/569533575.db2.gz GZVZYOMJIFBCAG-UHFFFAOYSA-N 0 3 445.516 2.957 50 0 IFAAHN CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000009528403 569544695 /nfs/dbraw/zinc/54/46/95/569544695.db2.gz ZUAMXSYPLBZUQP-FQEVSTJZSA-N 0 3 435.615 2.832 50 0 IFAAHN NS(=O)(=O)c1ccc(CCNC(=O)CN(Cc2ccc(F)cc2)C2CCCCC2)cc1 ZINC000009594585 569550595 /nfs/dbraw/zinc/55/05/95/569550595.db2.gz JAOAWJZFGORPHN-UHFFFAOYSA-N 0 3 447.576 2.967 50 0 IFAAHN CC(C)(C)NC(=O)COc1ccc(CNCCSc2nnnn2-c2ccccc2)cc1 ZINC000022107992 518737335 /nfs/dbraw/zinc/73/73/35/518737335.db2.gz UYZGSJBOIMVUTH-UHFFFAOYSA-N 0 3 440.573 2.838 50 0 IFAAHN CCCN1CCN(CCCNC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)CC1 ZINC000020489116 519857951 /nfs/dbraw/zinc/85/79/51/519857951.db2.gz WBGNLGZHFAIADJ-UHFFFAOYSA-N 0 3 445.633 2.640 50 0 IFAAHN CCCN1CCN(CCNC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)CC1 ZINC000021538898 519858000 /nfs/dbraw/zinc/85/80/00/519858000.db2.gz UQPZLHNNEGCFEJ-UHFFFAOYSA-N 0 3 442.633 2.565 50 0 IFAAHN CCCCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CCN2CCCCC2)cc1 ZINC000035422052 520862879 /nfs/dbraw/zinc/86/28/79/520862879.db2.gz IHJZPMNFLKEKDY-UHFFFAOYSA-N 0 3 444.620 2.616 50 0 IFAAHN CCOC(=O)c1c(C)c(C(=O)OCCOC)sc1NC(=O)CNCCc1ccccc1 ZINC000012528930 521387207 /nfs/dbraw/zinc/38/72/07/521387207.db2.gz VSIAQFFIETVQAM-UHFFFAOYSA-N 0 3 448.541 2.807 50 0 IFAAHN CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1 ZINC000012925578 521569314 /nfs/dbraw/zinc/56/93/14/521569314.db2.gz KQMFSHFSHBZWTF-UHFFFAOYSA-N 0 3 447.523 2.707 50 0 IFAAHN CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)CC1 ZINC000012918898 521570993 /nfs/dbraw/zinc/57/09/93/521570993.db2.gz GNJOZJJTJQDRFV-UHFFFAOYSA-N 0 3 435.634 2.921 50 0 IFAAHN CCN1CCN(CCCNC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)CC1 ZINC000021538882 521680121 /nfs/dbraw/zinc/68/01/21/521680121.db2.gz ZRLIVWBWMYOTEP-UHFFFAOYSA-N 0 3 442.633 2.565 50 0 IFAAHN CCN1CCN(CCCNC(=O)c2ccc(C[S@@](=O)c3ccccc3Cl)o2)CC1 ZINC000020514714 521681619 /nfs/dbraw/zinc/68/16/19/521681619.db2.gz HJNIJTOQLROGPR-LJAQVGFWSA-N 0 3 437.993 2.998 50 0 IFAAHN CCN1CCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn32)CC1 ZINC000020997469 521686989 /nfs/dbraw/zinc/68/69/89/521686989.db2.gz BJCQAHUPEUKHFX-UHFFFAOYSA-N 0 3 438.620 2.562 50 0 IFAAHN COc1cc(CNCCNC(=O)c2nonc2N)cc(Cl)c1OCc1ccccc1C ZINC000040744535 522450575 /nfs/dbraw/zinc/45/05/75/522450575.db2.gz YAESVMYEIRRPRG-UHFFFAOYSA-N 0 3 445.907 2.721 50 0 IFAAHN COc1cc(CNCc2cc(C(C)C)no2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000012091998 522463953 /nfs/dbraw/zinc/46/39/53/522463953.db2.gz ZHBNVPYDFRFDCD-GOSISDBHSA-N 0 3 435.590 2.885 50 0 IFAAHN COc1cc(CNCc2ccc(Cl)s2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000012706943 522464620 /nfs/dbraw/zinc/46/46/20/522464620.db2.gz CAAQCHRDIVXRPM-INIZCTEOSA-N 0 3 426.966 2.772 50 0 IFAAHN COC(=O)CC(=O)N1C[C@@H](c2ccccc2)[C@@H](CN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000034697694 522921130 /nfs/dbraw/zinc/92/11/30/522921130.db2.gz HSMCYPGVCAFSLR-REWPJTCUSA-N 0 3 439.531 2.753 50 0 IFAAHN COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccccc2-n2cccn2)CC1 ZINC000012755653 523812917 /nfs/dbraw/zinc/81/29/17/523812917.db2.gz PHCSUPWJKGBPPR-OAQYLSRUSA-N 0 3 426.561 2.852 50 0 IFAAHN COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)Cc2cc(OC)ccc2OC)CC1 ZINC000012300835 523813201 /nfs/dbraw/zinc/81/32/01/523813201.db2.gz BXIBTQLGEJAVOX-QFIPXVFZSA-N 0 3 434.577 2.612 50 0 IFAAHN CN1CCC[C@H](CNC(=O)c2cn(C3CC3)cc(C(=O)NCC3CCCCC3)c2=O)C1 ZINC000012282451 523839790 /nfs/dbraw/zinc/83/97/90/523839790.db2.gz FOUDMGDPYKSYQY-GOSISDBHSA-N 0 3 428.577 2.565 50 0 IFAAHN COc1ccc(CN(C)Cc2cnn(C)c2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000012304377 524008307 /nfs/dbraw/zinc/00/83/07/524008307.db2.gz PYXXSYLPQHYICC-QHCPKHFHSA-N 0 3 438.572 2.932 50 0 IFAAHN COc1ccc(CNCc2ccc(Cl)s2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000022852379 524072880 /nfs/dbraw/zinc/07/28/80/524072880.db2.gz CYXFQYPLKDCLGW-KRWDZBQOSA-N 0 3 440.009 2.687 50 0 IFAAHN Cc1cc(C)n(CC(=O)N(CCN(C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)n1 ZINC000012386260 524501599 /nfs/dbraw/zinc/50/15/99/524501599.db2.gz YCZHCZHQLUGDBL-NRFANRHFSA-N 0 3 429.584 2.941 50 0 IFAAHN Cc1ccc(NC(=O)COc2ccccc2CNCCCSc2nnnn2C)cc1 ZINC000040744715 525070875 /nfs/dbraw/zinc/07/08/75/525070875.db2.gz JSLFXMIKBLLIPU-UHFFFAOYSA-N 0 3 426.546 2.808 50 0 IFAAHN Cc1ccccc1[C@@]1(CC(=O)N(C)C2CCN(C)CC2)CC(=O)N(Cc2ccncc2)C1=O ZINC000012247721 525396956 /nfs/dbraw/zinc/39/69/56/525396956.db2.gz AOAPGZIYAHZHRA-AREMUKBSSA-N 0 3 448.567 2.530 50 0 IFAAHN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCC1)N(CCN(C)C)C3=O ZINC000021856248 525643013 /nfs/dbraw/zinc/64/30/13/525643013.db2.gz UTWCCKSBFAMHJF-DEOSSOPVSA-N 0 3 426.561 2.875 50 0 IFAAHN Oc1ccc(N2CCN(Cc3ccc(OC[C@@H](O)CN4CCCCC4)cc3)CC2)cc1 ZINC000012441813 526350844 /nfs/dbraw/zinc/35/08/44/526350844.db2.gz AZGHXIJECIWEPV-DEOSSOPVSA-N 0 3 425.573 2.940 50 0 IFAAHN Cc1nc(C(=O)NC[C@@H]2CCC3(CCN(Cc4cccc(OCCO)c4)CC3)O2)cs1 ZINC000014879528 526649149 /nfs/dbraw/zinc/64/91/49/526649149.db2.gz JLBAFJTVMLMLDP-FQEVSTJZSA-N 0 3 445.585 2.766 50 0 IFAAHN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012314006 526945677 /nfs/dbraw/zinc/94/56/77/526945677.db2.gz RQXOKBKZZRFBOP-OAQYLSRUSA-N 0 3 442.581 2.689 50 0 IFAAHN O=C(Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1)NCCN1CCCC1 ZINC000020565257 527236032 /nfs/dbraw/zinc/23/60/32/527236032.db2.gz PPLXCZUOTSCMDS-UHFFFAOYSA-N 0 3 425.558 2.980 50 0 IFAAHN O=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)NCCCN1CCc2ccccc2C1 ZINC000020902646 527351052 /nfs/dbraw/zinc/35/10/52/527351052.db2.gz VYHNQMDBDNLQAC-UHFFFAOYSA-N 0 3 432.499 2.958 50 0 IFAAHN CC(C)OC[C@@H](O)CN1CCCN(c2ccc(NC(=O)c3cc(F)cc(F)c3)cn2)CC1 ZINC000034682314 555816431 /nfs/dbraw/zinc/81/64/31/555816431.db2.gz WGIYNCYLCDMSNZ-NRFANRHFSA-N 0 3 448.514 2.910 50 0 IFAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)CCN1CCCCO1 ZINC000011662000 556343610 /nfs/dbraw/zinc/34/36/10/556343610.db2.gz PBZFEWBBSRIHIT-UHFFFAOYSA-N 0 3 433.593 2.800 50 0 IFAAHN Cc1ccccc1CC[NH+]1CCC(CN(C(=O)C[C@H]2NC(=O)[N-]C2=O)C2CCCC2)CC1 ZINC000011759212 556349248 /nfs/dbraw/zinc/34/92/48/556349248.db2.gz ZOJYVCSVUQBUQY-JOCHJYFZSA-N 0 3 440.588 2.619 50 0 IFAAHN C[C@@H](NC(=O)C1CCN(C)CC1)c1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2 ZINC000011813626 556357193 /nfs/dbraw/zinc/35/71/93/556357193.db2.gz VLRRUWPEHSIUNS-OAHLLOKOSA-N 0 3 448.974 2.648 50 0 IFAAHN COc1cc(CNCc2csc(C(C)C)n2)ccc1OC[C@H](O)CN1CCC(O)CC1 ZINC000011840439 556364818 /nfs/dbraw/zinc/36/48/18/556364818.db2.gz DTAQBCWFHQZFJZ-HXUWFJFHSA-N 0 3 449.617 2.761 50 0 IFAAHN CN(C)C[C@](C)(O)c1ccc2c(c1)CN(Cc1ccc(Sc3nncn3C)o1)CCO2 ZINC000012028332 556388122 /nfs/dbraw/zinc/38/81/22/556388122.db2.gz ZHRJFYWMTYGPAM-QFIPXVFZSA-N 0 3 443.573 2.723 50 0 IFAAHN COC(=O)C1CCN(Cc2ccc(OC[C@H](O)CN(C)Cc3ccccc3)cc2)CC1 ZINC000012053017 556392814 /nfs/dbraw/zinc/39/28/14/556392814.db2.gz OEVIGGXVUBRPLC-HSZRJFAPSA-N 0 3 426.557 2.943 50 0 IFAAHN COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(OC)c3ccccc13)CC2 ZINC000012055347 556393791 /nfs/dbraw/zinc/39/37/91/556393791.db2.gz BOUNXXUMSUYNMK-QGZVFWFLSA-N 0 3 437.544 2.712 50 0 IFAAHN O=C(CCC1CCN(C(=O)C2CCOCC2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012076776 556398054 /nfs/dbraw/zinc/39/80/54/556398054.db2.gz GWZBBQCBAQCWRK-HSZRJFAPSA-N 0 3 427.589 2.823 50 0 IFAAHN Cc1cc(C)n(CCNCc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3ccc(Cl)cn32)n1 ZINC000012433584 556404583 /nfs/dbraw/zinc/40/45/83/556404583.db2.gz NKPUJYLKZOBHJW-CALCHBBNSA-N 0 3 444.967 2.840 50 0 IFAAHN CC(C)[C@@H](C)N(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000032825564 556410911 /nfs/dbraw/zinc/41/09/11/556410911.db2.gz UVDSHMDKLUTVHW-MRXNPFEDSA-N 0 3 427.998 2.682 50 0 IFAAHN Cc1ccc(CN2CCc3c(cc(C(=O)N4CCN(C5CCN(C)CC5)CC4)n3C)C2)cc1 ZINC000065210935 556419779 /nfs/dbraw/zinc/41/97/79/556419779.db2.gz VJPNLFCDAZDFIE-UHFFFAOYSA-N 0 3 449.643 2.744 50 0 IFAAHN Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H](NCc1ccc3c(c1)OCO3)C2 ZINC000014534423 556422642 /nfs/dbraw/zinc/42/26/42/556422642.db2.gz NZLZKUFKGDDHFX-HXUWFJFHSA-N 0 3 444.535 2.994 50 0 IFAAHN CN1CCC[C@H](CNC(=O)c2cc(NC3CCC3)cc(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000014541993 556426141 /nfs/dbraw/zinc/42/61/41/556426141.db2.gz COCQXLWIPXLPHT-MRXNPFEDSA-N 0 3 436.622 2.799 50 0 IFAAHN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1cc(F)ccc1F)C2 ZINC000014740533 556438475 /nfs/dbraw/zinc/43/84/75/556438475.db2.gz GMNJWSUANSTHJD-GOSISDBHSA-N 0 3 432.515 2.937 50 0 IFAAHN COc1ccc(OC)c2c1CN(C(=O)NC1CCN(Cc3ccccc3)CC1)C[C@@H]2O ZINC000032862693 556448009 /nfs/dbraw/zinc/44/80/09/556448009.db2.gz AQQUMMDCDSLRRS-FQEVSTJZSA-N 0 3 425.529 2.927 50 0 IFAAHN Cc1nc(C(=O)NC[C@H]2CCC3(CCN(Cc4cccc(OCCO)c4)CC3)O2)cs1 ZINC000014879529 556452813 /nfs/dbraw/zinc/45/28/13/556452813.db2.gz JLBAFJTVMLMLDP-HXUWFJFHSA-N 0 3 445.585 2.766 50 0 IFAAHN CC(C)c1ccc(CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1 ZINC000014886619 556455453 /nfs/dbraw/zinc/45/54/53/556455453.db2.gz BHIFCPUZTMPTHW-UHFFFAOYSA-N 0 3 439.585 2.938 50 0 IFAAHN O=C(NC[C@H]1CCC2(CCN(Cc3ccc4nsnc4c3)CC2)O1)C1CCOCC1 ZINC000014888906 556456128 /nfs/dbraw/zinc/45/61/28/556456128.db2.gz GFJATGMDYYYFLA-GOSISDBHSA-N 0 3 430.574 2.748 50 0 IFAAHN COc1cc(CNC2(c3ccccc3)CC2)ccc1OC[C@@H](O)CN1CCC(O)CC1 ZINC000015072335 556497088 /nfs/dbraw/zinc/49/70/88/556497088.db2.gz PKBGLZXFUOVXDA-QFIPXVFZSA-N 0 3 426.557 2.671 50 0 IFAAHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Cc1csc(N2CCCNC2=O)n1 ZINC000072304579 556548802 /nfs/dbraw/zinc/54/88/02/556548802.db2.gz WWAIIBUIIFMDAN-LJQANCHMSA-N 0 3 441.601 2.976 50 0 IFAAHN Cc1cc(C(=O)CN2CC[C@H](N(C)Cc3ccccc3)C2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000072308748 556567456 /nfs/dbraw/zinc/56/74/56/556567456.db2.gz JHOHVSDHIQXHKH-VXKWHMMOSA-N 0 3 443.613 2.854 50 0 IFAAHN CCOc1cc(CNCCO)cc(Br)c1OCC(=O)NC1CCCCC1 ZINC000016362073 556602895 /nfs/dbraw/zinc/60/28/95/556602895.db2.gz TUCZGMUHPRAFNO-UHFFFAOYSA-N 0 3 429.355 2.757 50 0 IFAAHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cc1NS(C)(=O)=O ZINC000060167972 556651155 /nfs/dbraw/zinc/65/11/55/556651155.db2.gz RAEIZTZBTFXUJG-UHFFFAOYSA-N 0 3 425.501 2.849 50 0 IFAAHN O=C(CCC1CCN(C(=O)C(=O)c2ccco2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000011753949 556651502 /nfs/dbraw/zinc/65/15/02/556651502.db2.gz XVJNSJNRIGVDLZ-OAQYLSRUSA-N 0 3 437.540 2.872 50 0 IFAAHN CN(C)CCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccccc3)s2)cc1 ZINC000033027948 556708373 /nfs/dbraw/zinc/70/83/73/556708373.db2.gz BIJDEWSGBKTBGH-UHFFFAOYSA-N 0 3 425.514 2.661 50 0 IFAAHN COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2cccc3nonc32)CC1 ZINC000055269587 556739367 /nfs/dbraw/zinc/73/93/67/556739367.db2.gz WNTGMBJFUSSLCN-UHFFFAOYSA-N 0 3 440.500 2.651 50 0 IFAAHN CCN1CCN(CCCCNC(=O)NCc2ccnc(OCc3ccccc3)c2)CC1 ZINC000058168958 556767428 /nfs/dbraw/zinc/76/74/28/556767428.db2.gz SNTMIHHYYDMFNF-UHFFFAOYSA-N 0 3 425.577 2.878 50 0 IFAAHN Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2cc(N3CCCCC3)nc(C)n2)CC1 ZINC000065362897 556834633 /nfs/dbraw/zinc/83/46/33/556834633.db2.gz PEPHNXLDWZJYHO-UHFFFAOYSA-N 0 3 433.553 2.734 50 0 IFAAHN Cc1ccc(NC(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)c(Cl)c1 ZINC000067602091 556843705 /nfs/dbraw/zinc/84/37/05/556843705.db2.gz HZCAFEVKSAYOSV-UHFFFAOYSA-N 0 3 443.983 2.853 50 0 IFAAHN CCOc1ccccc1N(Cc1ccc(C(=O)NC2CCN(C)CC2)cc1)S(C)(=O)=O ZINC000067613115 556844455 /nfs/dbraw/zinc/84/44/55/556844455.db2.gz VDRIBJCRYSNMMQ-UHFFFAOYSA-N 0 3 445.585 2.876 50 0 IFAAHN C[C@@H]1CCCCN1CCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl ZINC000033131488 556871861 /nfs/dbraw/zinc/87/18/61/556871861.db2.gz DFBCTHZHMCGZCB-OAHLLOKOSA-N 0 3 446.038 2.682 50 0 IFAAHN c1cc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc2nonc12 ZINC000019739629 556878609 /nfs/dbraw/zinc/87/86/09/556878609.db2.gz MBPMZHIYLPYXSB-HXUWFJFHSA-N 0 3 435.528 2.734 50 0 IFAAHN CCN(CC)[C@H]1CCN(Cc2cnc(S(=O)(=O)C3CCCCCC3)n2CCOC)C1 ZINC000019744849 556891594 /nfs/dbraw/zinc/89/15/94/556891594.db2.gz XWXMTZKWLSMLGZ-IBGZPJMESA-N 0 3 440.654 2.942 50 0 IFAAHN O=C(COCc1nnc(C(=O)Nc2ccccc2)s1)N1CCN(C2CCCCC2)CC1 ZINC000033256931 556895499 /nfs/dbraw/zinc/89/54/99/556895499.db2.gz XBTUUOZTHBMRGQ-UHFFFAOYSA-N 0 3 443.573 2.784 50 0 IFAAHN c1cc2nonc2c(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000019790935 556914791 /nfs/dbraw/zinc/91/47/91/556914791.db2.gz JDLQKRVLWQNOBI-FQEVSTJZSA-N 0 3 435.528 2.734 50 0 IFAAHN CCOc1ccc(CCN[C@H]2CC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC ZINC000019848157 556930140 /nfs/dbraw/zinc/93/01/40/556930140.db2.gz DREGDJAZILKIPW-IBGZPJMESA-N 0 3 440.496 2.735 50 0 IFAAHN CN1CCCN(C(=O)c2nc3sccn3c2CNC[C@H]2OCCc3ccccc32)CC1 ZINC000020211385 556998671 /nfs/dbraw/zinc/99/86/71/556998671.db2.gz PECNFCSSJSAMGW-HXUWFJFHSA-N 0 3 439.585 2.577 50 0 IFAAHN Cc1ccsc1CN1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1 ZINC000020212244 556998976 /nfs/dbraw/zinc/99/89/76/556998976.db2.gz SGXBYWKLYOFCPC-UHFFFAOYSA-N 0 3 427.549 2.747 50 0 IFAAHN CC[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2C)ccc1N1CC[NH2+]CC1 ZINC000033275434 557054381 /nfs/dbraw/zinc/05/43/81/557054381.db2.gz XAZVEAHXBGYLSS-KRWDZBQOSA-N 0 3 430.574 2.734 50 0 IFAAHN CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CC[NH2+]CC3)c(C(=O)N[C@@H](C)CC)c2)cc1 ZINC000033275428 557054395 /nfs/dbraw/zinc/05/43/95/557054395.db2.gz HQIJPGUYMOTOLD-KRWDZBQOSA-N 0 3 444.601 2.988 50 0 IFAAHN Cc1oc(C(=O)NCCCN2CCc3ccccc3C2)cc1S(=O)(=O)N1CCCC1 ZINC000048299805 557061619 /nfs/dbraw/zinc/06/16/19/557061619.db2.gz YRWRVHIQORSLCK-UHFFFAOYSA-N 0 3 431.558 2.551 50 0 IFAAHN CCc1ccc(CNC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2ccccc2)CC3)cc1 ZINC000049400868 557096662 /nfs/dbraw/zinc/09/66/62/557096662.db2.gz AVLONBUMLWGTNS-UHFFFAOYSA-N 0 3 430.552 2.989 50 0 IFAAHN COc1ccc(/C=C2/SC(=O)N(CCNC(=O)CN3CCCCCC3)C2=O)cc1OC ZINC000097993236 557187519 /nfs/dbraw/zinc/18/75/19/557187519.db2.gz CCSYLHAFTJVFBH-XMHGGMMESA-N 0 3 447.557 2.732 50 0 IFAAHN Cc1cc(C)nc(N2CCC(N[C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)n1 ZINC000100205798 557247573 /nfs/dbraw/zinc/24/75/73/557247573.db2.gz ZGFHWTSDBWACSU-GOSISDBHSA-N 0 3 431.899 2.776 50 0 IFAAHN O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000014021421 557284476 /nfs/dbraw/zinc/28/44/76/557284476.db2.gz XVKFLJFHQVCVOB-UHFFFAOYSA-N 0 3 447.583 2.747 50 0 IFAAHN CCN1CCC[C@H]1CNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1c(F)cccc1F ZINC000103581365 557316796 /nfs/dbraw/zinc/31/67/96/557316796.db2.gz HUSYJKPYFMYEPF-FPTDNZKUSA-N 0 3 430.455 2.763 50 0 IFAAHN CN(CCNC(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1)Cc1ccccc1 ZINC000033254512 557327740 /nfs/dbraw/zinc/32/77/40/557327740.db2.gz SNJYDOMKRRVUAU-UHFFFAOYSA-N 0 3 429.586 2.726 50 0 IFAAHN Cc1cc([C@H](NCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C(C)C)c(C)s1 ZINC000108165352 557541691 /nfs/dbraw/zinc/54/16/91/557541691.db2.gz OQTSXKXUHFJUBJ-BBTUJRGHSA-N 0 3 442.647 2.846 50 0 IFAAHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C2CCOCC2)C1 ZINC000225767907 557775002 /nfs/dbraw/zinc/77/50/02/557775002.db2.gz SWQLGKBVXBXXBE-PZJWPPBQSA-N 0 3 446.592 2.682 50 0 IFAAHN COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCCN(C)C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000004143993 562942315 /nfs/dbraw/zinc/94/23/15/562942315.db2.gz DYMRSCPTKMATHW-TVHGACNRSA-N 0 3 443.588 2.696 50 0 IFAAHN CC(C)C[C@H](N)C(=O)N1CCC(C(=O)N[C@H](C(=O)N[C@@H](C)c2ccccc2)C(C)C)CC1 ZINC000008789177 562964164 /nfs/dbraw/zinc/96/41/64/562964164.db2.gz TVZBMYDJHZPXMZ-NYVOZVTQSA-N 0 3 444.620 2.617 50 0 IFAAHN CCOC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3cccc(C)c3)CC2)cn1C ZINC000009290308 562969032 /nfs/dbraw/zinc/96/90/32/562969032.db2.gz LVDDIHMLZWOFCO-UHFFFAOYSA-N 0 3 433.574 2.701 50 0 IFAAHN CC[C@@H]1CCCCN1CCCNC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000009405571 562970168 /nfs/dbraw/zinc/97/01/68/562970168.db2.gz CCUMQWKSMZFGTK-MRXNPFEDSA-N 0 3 430.574 2.759 50 0 IFAAHN COc1ccc([C@H](CNC(=O)CCNC(=O)c2ccccc2OC)N2CCCC2)cc1 ZINC000013010616 562984056 /nfs/dbraw/zinc/98/40/56/562984056.db2.gz PFQBFNZJYJLJEQ-NRFANRHFSA-N 0 3 425.529 2.777 50 0 IFAAHN Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)NC[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000015727778 568812939 /nfs/dbraw/zinc/81/29/39/568812939.db2.gz FSKZZUDILBOELF-FQEVSTJZSA-N 0 3 449.555 2.928 50 0 IFAAHN Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)NC[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000015727779 568812962 /nfs/dbraw/zinc/81/29/62/568812962.db2.gz FSKZZUDILBOELF-HXUWFJFHSA-N 0 3 449.555 2.928 50 0 IFAAHN CC(=O)N(CCc1c[nH]c2ccccc12)C1(C(=O)NCc2cccnc2)CCN(C)CC1 ZINC000575443904 568869778 /nfs/dbraw/zinc/86/97/78/568869778.db2.gz VIBNDQNNHKODLX-UHFFFAOYSA-N 0 3 433.556 2.735 50 0 IFAAHN CN(C)CCCNC(=O)C[C@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O ZINC000524729305 568903803 /nfs/dbraw/zinc/90/38/03/568903803.db2.gz NHUAPGXQVNKSBQ-MRXNPFEDSA-N 0 3 438.480 2.817 50 0 IFAAHN CN(C)CCCNC(=O)C[C@@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O ZINC000524729304 568903831 /nfs/dbraw/zinc/90/38/31/568903831.db2.gz NHUAPGXQVNKSBQ-INIZCTEOSA-N 0 3 438.480 2.817 50 0 IFAAHN COc1ccc(CCN2C[C@@H](C(=O)N3CCN(C4CCCCC4)CC3)CC2=O)cc1OC ZINC000064761492 568952657 /nfs/dbraw/zinc/95/26/57/568952657.db2.gz USYDCMVDFBXZIP-FQEVSTJZSA-N 0 3 443.588 2.572 50 0 IFAAHN COc1ccc(OC[C@H](O)CN(CCN2CCOCC2)Cc2cc(C)ccc2C)cc1 ZINC000036103813 568952958 /nfs/dbraw/zinc/95/29/58/568952958.db2.gz CRSSPSQGDJADSR-HSZRJFAPSA-N 0 3 428.573 2.886 50 0 IFAAHN COc1ccc(OC[C@@H](O)CN(CCN2CCOCC2)Cc2cc(C)ccc2C)cc1 ZINC000036103812 568952973 /nfs/dbraw/zinc/95/29/73/568952973.db2.gz CRSSPSQGDJADSR-QHCPKHFHSA-N 0 3 428.573 2.886 50 0 IFAAHN O=C(NCCN1CCCCC1)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036255034 568984989 /nfs/dbraw/zinc/98/49/89/568984989.db2.gz YENBAAVCRADHQO-QHCPKHFHSA-N 0 3 444.595 2.744 50 0 IFAAHN O=C(NCCN1CCCCC1)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12 ZINC000169681113 568991476 /nfs/dbraw/zinc/99/14/76/568991476.db2.gz YCADSHSGDOTHDT-UHFFFAOYSA-N 0 3 429.524 2.913 50 0 IFAAHN COC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1 ZINC000036309092 568995943 /nfs/dbraw/zinc/99/59/43/568995943.db2.gz YEMPDFJQTXLDKH-UGKGYDQZSA-N 0 3 444.597 2.972 50 0 IFAAHN Cn1c(=O)c2ccnn2c2ccc(C(=O)NCC3CCN(Cc4ccccc4F)CC3)cc21 ZINC000065270668 569127587 /nfs/dbraw/zinc/12/75/87/569127587.db2.gz LSODQTORCGAKCQ-UHFFFAOYSA-N 0 3 447.514 2.967 50 0 IFAAHN Cn1c(=O)c2ccnn2c2ccc(C(=O)NCC3CCN(Cc4ccc(F)cc4)CC3)cc21 ZINC000065270666 569127615 /nfs/dbraw/zinc/12/76/15/569127615.db2.gz SQRVADPSMAMVBW-UHFFFAOYSA-N 0 3 447.514 2.967 50 0 IFAAHN CN1CCC(NC(=O)c2ccc3c(c2)n(Cc2ccc(F)cc2)c(=O)c2ccnn23)CC1 ZINC000065270961 569127780 /nfs/dbraw/zinc/12/77/80/569127780.db2.gz SABOOFYCTTULDE-UHFFFAOYSA-N 0 3 433.487 2.661 50 0 IFAAHN CN1CCN(CCCNC(=O)[C@H]2CCc3sc(C(=O)N4CCCCCC4)cc3C2)CC1 ZINC000065273155 569129423 /nfs/dbraw/zinc/12/94/23/569129423.db2.gz FPBKHTWNHYFUBP-IBGZPJMESA-N 0 3 446.661 2.623 50 0 IFAAHN Cc1nc(Nc2cc(C)ccn2)sc1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000065306254 569133310 /nfs/dbraw/zinc/13/33/10/569133310.db2.gz OOTNYRWZHBFAEM-UHFFFAOYSA-N 0 3 442.589 2.845 50 0 IFAAHN CC(C)(C)OC(=O)N1CCN(CCN2CCC(NC(=O)NC3CCCCC3)CC2)CC1 ZINC000170607476 569144159 /nfs/dbraw/zinc/14/41/59/569144159.db2.gz RBRBAVSTWXFCTG-UHFFFAOYSA-N 0 3 437.629 2.635 50 0 IFAAHN CN(C)CCNC(=O)CCNC(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000037426221 569195810 /nfs/dbraw/zinc/19/58/10/569195810.db2.gz KQMHUZTUAZBIEC-UHFFFAOYSA-N 0 3 429.468 2.703 50 0 IFAAHN Cc1s/c(=N\C(=O)c2ccccc2F)n(Cc2ccc(C(=O)NCCN(C)C)o2)c1C ZINC000037428426 569196008 /nfs/dbraw/zinc/19/60/08/569196008.db2.gz RUKQQCJQVINFTF-LVWGJNHUSA-N 0 3 444.532 2.979 50 0 IFAAHN CC(C)N1CCN([C@@H]2CCOC3(CCN(C(=O)NCCc4ccccc4)CC3)C2)CC1 ZINC000581819726 569211394 /nfs/dbraw/zinc/21/13/94/569211394.db2.gz FJEGDQSDASDUDS-HSZRJFAPSA-N 0 3 428.621 2.978 50 0 IFAAHN CC(C)N1CCN([C@@H]2CCOC3(CCN(S(=O)(=O)c4cccc(F)c4)CC3)C2)CC1 ZINC000581819869 569211822 /nfs/dbraw/zinc/21/18/22/569211822.db2.gz PGMQXUWLJQLYGF-HXUWFJFHSA-N 0 3 439.597 2.554 50 0 IFAAHN O=C(NC1CCCCC1)[C@H]1C(=O)C(=O)N(C2CCCCC2)C(=O)[C@H]1NC1CCCCC1 ZINC000107988107 569258774 /nfs/dbraw/zinc/25/87/74/569258774.db2.gz AJSNGWPXOSLKIO-UXHICEINSA-N 0 3 431.577 2.613 50 0 IFAAHN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCN(CC2CCC2)CC1 ZINC000328591373 569316976 /nfs/dbraw/zinc/31/69/76/569316976.db2.gz SBLXZLCCKZFAIE-UHFFFAOYSA-N 0 3 433.618 2.738 50 0 IFAAHN CCN1CCC[C@@H]1CNC(=O)Cn1ncc2c(C)n(Cc3ccccc3F)c(C)c2c1=O ZINC000020417520 569365024 /nfs/dbraw/zinc/36/50/24/569365024.db2.gz KEVUAKOVBPWMON-LJQANCHMSA-N 0 3 439.535 2.603 50 0 IFAAHN O=S(=O)(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)c1cccc2cccnc21 ZINC000095433129 569366401 /nfs/dbraw/zinc/36/64/01/569366401.db2.gz MCIMAEJUAXZTTF-OAQYLSRUSA-N 0 3 425.554 2.959 50 0 IFAAHN C[C@@H]1CN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CCN1C1CCN(C)CC1 ZINC000095455954 569368733 /nfs/dbraw/zinc/36/87/33/569368733.db2.gz QQVXLYFBMORURZ-MRXNPFEDSA-N 0 3 446.393 2.875 50 0 IFAAHN C[C@@H](C(=O)NCc1ccc(OC2CCN(C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000095482553 569374456 /nfs/dbraw/zinc/37/44/56/569374456.db2.gz NLORHLNCSFNJRJ-SFHVURJKSA-N 0 3 445.585 2.631 50 0 IFAAHN O=C(NCc1ccccc1CN1CCC[C@@H]1CO)C1CCN(C(=O)c2ccccc2)CC1 ZINC000096007009 569379464 /nfs/dbraw/zinc/37/94/64/569379464.db2.gz UGIBKTXPGLZFFC-XMMPIXPASA-N 0 3 435.568 2.812 50 0 IFAAHN COC(=O)c1ccc2c(c1)nc(CC(=O)NCCN(C)C)n2Cc1ccc(Cl)cc1 ZINC000039932784 569482089 /nfs/dbraw/zinc/48/20/89/569482089.db2.gz DGTLDEIJXASOFW-UHFFFAOYSA-N 0 3 428.920 2.745 50 0 IFAAHN COc1cccc(N2CCN(C3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)CC2)c1 ZINC000244975254 569496732 /nfs/dbraw/zinc/49/67/32/569496732.db2.gz IIGMXHOLBDQBJK-XMMPIXPASA-N 0 3 437.540 2.648 50 0 IFAAHN CCCn1c2ccccc2c2cnn(CC(=O)N(CCN(C)C)Cc3ccco3)c(=O)c21 ZINC000009153442 569508076 /nfs/dbraw/zinc/50/80/76/569508076.db2.gz JGZZYKBNHYVHFZ-UHFFFAOYSA-N 0 3 435.528 2.945 50 0 IFAAHN O=C(CCNC(=O)c1ccc(-c2ccccc2)cc1)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000009185697 569510181 /nfs/dbraw/zinc/51/01/81/569510181.db2.gz WQPGBRHZTIBSQE-UHFFFAOYSA-N 0 3 443.551 2.860 50 0 IFAAHN CN1CCC2(CC1)C[C@H](NC(=O)CCc1nc3ccccc3c(=O)[nH]1)c1ccccc1O2 ZINC000009494139 569540857 /nfs/dbraw/zinc/54/08/57/569540857.db2.gz RBTDROBTCLRASB-FQEVSTJZSA-N 0 3 432.524 2.960 50 0 IFAAHN CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccccc3OC)nc1=O)CCC2 ZINC000009745436 569565675 /nfs/dbraw/zinc/56/56/75/569565675.db2.gz MGFALKDHGUOGJW-UHFFFAOYSA-N 0 3 430.574 2.813 50 0 IFAAHN Cc1nc(SCc2cccc(C(=O)NCCN(C)C)c2)nc(N2CCOCC2)c1C ZINC000006802077 132279130 /nfs/dbraw/zinc/27/91/30/132279130.db2.gz WODSLARPZXUUSQ-UHFFFAOYSA-N 0 3 429.590 2.514 50 0 IFAAHN CCCCN(C)CCNC(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000006936249 132280003 /nfs/dbraw/zinc/28/00/03/132280003.db2.gz QTEXHRBSNBCQPH-GOSISDBHSA-N 0 3 427.597 2.617 50 0 IFAAHN CC1CCN(CCNC(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)CC1 ZINC000009211126 132309007 /nfs/dbraw/zinc/30/90/07/132309007.db2.gz TUIBRTRLXAMDLS-LJQANCHMSA-N 0 3 439.608 2.617 50 0 IFAAHN CCCN1CCN(CCCNC(=O)CC2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000035528947 519857731 /nfs/dbraw/zinc/85/77/31/519857731.db2.gz AAFYDSOBZDJGFE-UHFFFAOYSA-N 0 3 429.609 2.855 50 0 IFAAHN CCCCN[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000012549166 520696481 /nfs/dbraw/zinc/69/64/81/520696481.db2.gz UQGGUKNWJRSDIW-NRFANRHFSA-N 0 3 431.558 2.777 50 0 IFAAHN CC1CCN([C@H](CNC(=O)NCc2ccc(S(N)(=O)=O)s2)c2cccs2)CC1 ZINC000012919139 521036828 /nfs/dbraw/zinc/03/68/28/521036828.db2.gz YTOFBJOXVUHVJU-OAHLLOKOSA-N 0 3 442.632 2.729 50 0 IFAAHN CCN(Cc1ccccc1)Cc1ccc(OC)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000020599137 521370416 /nfs/dbraw/zinc/37/04/16/521370416.db2.gz OHJSXZSTPVUEED-QHCPKHFHSA-N 0 3 427.589 2.704 50 0 IFAAHN CCN1CCN(C[C@@H](O)COc2ccc(CNCc3c(F)cccc3F)cc2OC)CC1 ZINC000020993804 521685377 /nfs/dbraw/zinc/68/53/77/521685377.db2.gz FEAVHRADHHWUNP-LJQANCHMSA-N 0 3 449.542 2.640 50 0 IFAAHN CCN1CCN(C[C@H](O)COc2ccc(CNCc3c(F)cccc3F)cc2OC)CC1 ZINC000020993808 521686777 /nfs/dbraw/zinc/68/67/77/521686777.db2.gz FEAVHRADHHWUNP-IBGZPJMESA-N 0 3 449.542 2.640 50 0 IFAAHN CCc1nccn1CCC(=O)N1CCC[C@@H](N2CCN(c3ccccc3OC)CC2)C1 ZINC000012445111 522585396 /nfs/dbraw/zinc/58/53/96/522585396.db2.gz DGWRUXIZIAMRQD-HXUWFJFHSA-N 0 3 425.577 2.657 50 0 IFAAHN COC(=O)C1CCN(C[C@@H](O)COc2ccc(CN(C)Cc3ccccc3)cc2)CC1 ZINC000012439343 522916082 /nfs/dbraw/zinc/91/60/82/522916082.db2.gz LWUFDPUATYKFCD-HSZRJFAPSA-N 0 3 426.557 2.943 50 0 IFAAHN CCn1c2ccccc2n(CC(=O)NCC2CCN(Cc3ccc(C)cc3)CC2)c(=O)c1=O ZINC000021944051 523279154 /nfs/dbraw/zinc/27/91/54/523279154.db2.gz KCFGHMXIKIXCMH-UHFFFAOYSA-N 0 3 448.567 2.520 50 0 IFAAHN CCn1nc(C)c(CN2CCOc3ccc(CN4CCC[C@H](C(N)=O)C4)cc3C2)c1C ZINC000091506133 523642828 /nfs/dbraw/zinc/64/28/28/523642828.db2.gz OTDYTUYLOYZDMK-FQEVSTJZSA-N 0 3 425.577 2.612 50 0 IFAAHN COc1ccc(C(=O)NCc2nnc(SCCN(C)C)n2-c2cccc(OC)c2)cc1 ZINC000012148750 523717037 /nfs/dbraw/zinc/71/70/37/523717037.db2.gz SIKXWOHBVQWCPD-UHFFFAOYSA-N 0 3 441.557 2.868 50 0 IFAAHN COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cc3c(nc2OC)CCC3)CC1 ZINC000012718951 523812414 /nfs/dbraw/zinc/81/24/14/523812414.db2.gz LARCDFOEYBRIFW-FQEVSTJZSA-N 0 3 431.577 2.559 50 0 IFAAHN COc1ccc(CN(C)CCn2nc(C)cc2C)cc1OC[C@@H](O)CN1CCCCC1 ZINC000012836193 524004839 /nfs/dbraw/zinc/00/48/39/524004839.db2.gz SMAWQUTWWUTXFA-QFIPXVFZSA-N 0 3 430.593 2.866 50 0 IFAAHN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C(C)C)N[C@]32c3cccc(C)c3NC2=O)cc1 ZINC000035363891 524020292 /nfs/dbraw/zinc/02/02/92/524020292.db2.gz SWVRIMJCONVLAH-UVPKRVSESA-N 0 3 433.508 2.580 50 0 IFAAHN COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)c(C)c1C ZINC000020912940 524039766 /nfs/dbraw/zinc/03/97/66/524039766.db2.gz RKTYCODTUIGACX-GOSISDBHSA-N 0 3 434.544 2.848 50 0 IFAAHN COc1ccc(CNCc2cccc(Cl)c2)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000020905453 524073410 /nfs/dbraw/zinc/07/34/10/524073410.db2.gz LZIXFHAYWRIEMM-OAQYLSRUSA-N 0 3 433.980 2.626 50 0 IFAAHN COc1ccc(CNCc2ccccc2Cl)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000020784598 524073447 /nfs/dbraw/zinc/07/34/47/524073447.db2.gz CVEHAZQXIWWTAE-FQEVSTJZSA-N 0 3 433.980 2.626 50 0 IFAAHN Cc1ccc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1C ZINC000020455285 524476468 /nfs/dbraw/zinc/47/64/68/524476468.db2.gz ZQVSBWUEWMCMKV-UHFFFAOYSA-N 0 3 433.556 2.691 50 0 IFAAHN COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CNC2(c3ccccc3)CC2)c1 ZINC000012386671 524968692 /nfs/dbraw/zinc/96/86/92/524968692.db2.gz BIRUAVNBOGNHHB-QFIPXVFZSA-N 0 3 426.557 2.671 50 0 IFAAHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccccc3)N(C)C)CC2)cc1 ZINC000012809513 525518014 /nfs/dbraw/zinc/51/80/14/525518014.db2.gz PIOANVXAHAEHFE-JOCHJYFZSA-N 0 3 429.586 2.815 50 0 IFAAHN Cc1ccc(S(=O)(=O)N2CCC(N[C@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000023627202 525523217 /nfs/dbraw/zinc/52/32/17/525523217.db2.gz LUMLKGKXZRLLBP-QFIPXVFZSA-N 0 3 427.570 2.758 50 0 IFAAHN O=C(NCCc1nnc2n1CCN(Cc1cccc3ccccc31)CC2)c1cccnc1 ZINC000020598547 526465344 /nfs/dbraw/zinc/46/53/44/526465344.db2.gz RDAUNYSFQZVSAY-UHFFFAOYSA-N 0 3 426.524 2.857 50 0 IFAAHN O=C(c1cn(Cc2ccccc2C(F)(F)F)nn1)N1CCC(N2CCSCC2)CC1 ZINC000012471412 526864922 /nfs/dbraw/zinc/86/49/22/526864922.db2.gz WDTXDAJEVKRZIN-UHFFFAOYSA-N 0 3 439.507 2.999 50 0 IFAAHN O=C(c1noc2ccc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)cc21)N1CCCC1 ZINC000035461568 526930220 /nfs/dbraw/zinc/93/02/20/526930220.db2.gz LSWRKKOIJHNVKE-UHFFFAOYSA-N 0 3 446.573 2.703 50 0 IFAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)n1 ZINC000021795746 526967353 /nfs/dbraw/zinc/96/73/53/526967353.db2.gz YKCSSMPWLNKUQT-UHFFFAOYSA-N 0 3 429.956 2.544 50 0 IFAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000021794620 526967722 /nfs/dbraw/zinc/96/77/22/526967722.db2.gz UYVBANDYRAXZJZ-UHFFFAOYSA-N 0 3 448.493 2.518 50 0 IFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(SCCN2CCOCC2)nc1 ZINC000021663566 527530485 /nfs/dbraw/zinc/53/04/85/527530485.db2.gz IVIRLTKLKXGAHY-UHFFFAOYSA-N 0 3 440.613 2.900 50 0 IFAAHN COc1ccc(CCN[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000002419211 555777448 /nfs/dbraw/zinc/77/74/48/555777448.db2.gz GXQFJILSFNVXPG-MRXNPFEDSA-N 0 3 433.302 2.931 50 0 IFAAHN CCOC(=O)c1ccc(N2C(=O)C[C@H](NC3CCN(Cc4ccccc4)CC3)C2=O)cc1 ZINC000009076159 556245034 /nfs/dbraw/zinc/24/50/34/556245034.db2.gz PJSMLXNHQZCQEP-QFIPXVFZSA-N 0 3 435.524 2.749 50 0 IFAAHN CCOc1cc(CNCCNC(=O)c2nonc2N)ccc1OCc1ccc(Cl)cc1 ZINC000009194367 556254572 /nfs/dbraw/zinc/25/45/72/556254572.db2.gz POIBNAXVESVWBM-UHFFFAOYSA-N 0 3 445.907 2.803 50 0 IFAAHN CCOc1cc(CNCCNC(=O)c2nonc2N)cc(Cl)c1OCc1ccccc1 ZINC000009194420 556254584 /nfs/dbraw/zinc/25/45/84/556254584.db2.gz SVKVRSPPWGRJGZ-UHFFFAOYSA-N 0 3 445.907 2.803 50 0 IFAAHN COc1ccc(-c2cc3ccc(OCC(=O)NCCN(C)C)cc3oc2=O)cc1OC ZINC000013719106 556288657 /nfs/dbraw/zinc/28/86/57/556288657.db2.gz SPTXNHLQCNNBDB-UHFFFAOYSA-N 0 3 426.469 2.534 50 0 IFAAHN CCOc1cc(CNCCCN2CCOCC2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013736215 556297867 /nfs/dbraw/zinc/29/78/67/556297867.db2.gz GAZMZZFXSPJMGF-UHFFFAOYSA-N 0 3 438.532 2.665 50 0 IFAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000032761331 556331636 /nfs/dbraw/zinc/33/16/36/556331636.db2.gz IJWMSYXUGFWSMN-SJLPKXTDSA-N 0 3 441.553 2.826 50 0 IFAAHN COc1cc(CNCc2cc(F)ccc2C)ccc1OC[C@H](O)CN1CCC(O)CC1 ZINC000011774139 556350575 /nfs/dbraw/zinc/35/05/75/556350575.db2.gz ULGQKIWZCPLZAS-JOCHJYFZSA-N 0 3 432.536 2.629 50 0 IFAAHN COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc3ncccc3c1)CC2 ZINC000011786989 556353813 /nfs/dbraw/zinc/35/38/13/556353813.db2.gz JVQXWUFRTKCKGY-OAQYLSRUSA-N 0 3 436.560 2.734 50 0 IFAAHN O=C(CCC1CCN(C(=O)c2n[nH]c3c2CCC3)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000011820347 556362418 /nfs/dbraw/zinc/36/24/18/556362418.db2.gz WORYKARJQBKPCQ-NRFANRHFSA-N 0 3 449.599 2.922 50 0 IFAAHN O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CCN(CCCc1ccccc1)CC2 ZINC000012037373 556390184 /nfs/dbraw/zinc/39/01/84/556390184.db2.gz XXLLUHHJKUKYQG-UHFFFAOYSA-N 0 3 435.547 2.810 50 0 IFAAHN O=C(CCC1CCN(C(=O)C2CCOCC2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012076778 556397943 /nfs/dbraw/zinc/39/79/43/556397943.db2.gz GWZBBQCBAQCWRK-QHCPKHFHSA-N 0 3 427.589 2.823 50 0 IFAAHN COCCN1C(=O)N(CCc2ccc(OC)cc2)C2(CCN([C@@H](C)CSC)CC2)C1=O ZINC000014533467 556421845 /nfs/dbraw/zinc/42/18/45/556421845.db2.gz IEWGNLBPVDGSHI-SFHVURJKSA-N 0 3 449.617 2.734 50 0 IFAAHN COc1ccccc1CN[C@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 ZINC000014536536 556423741 /nfs/dbraw/zinc/42/37/41/556423741.db2.gz GOOVECYYJXLHJB-IBGZPJMESA-N 0 3 426.561 2.667 50 0 IFAAHN CN(CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccccc1C(F)(F)F ZINC000013010314 556435708 /nfs/dbraw/zinc/43/57/08/556435708.db2.gz QVLLOXMHRPEQQV-UHFFFAOYSA-N 0 3 426.439 2.813 50 0 IFAAHN Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCc3c[nH]cn3)CN(Cc3ccccc3)C2)cn1 ZINC000014751522 556443744 /nfs/dbraw/zinc/44/37/44/556443744.db2.gz QGTGIWUTJBFBRH-FCHUYYIVSA-N 0 3 433.556 2.989 50 0 IFAAHN Cc1ccc(C)c(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)c1 ZINC000014884604 556454694 /nfs/dbraw/zinc/45/46/94/556454694.db2.gz ARXPSUKZKSTLHD-UHFFFAOYSA-N 0 3 433.556 2.691 50 0 IFAAHN COc1ccc(C(=O)N2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)c(OC)c1 ZINC000014948839 556460291 /nfs/dbraw/zinc/46/02/91/556460291.db2.gz CKWYFLHMJBGWJF-GOSISDBHSA-N 0 3 431.577 2.889 50 0 IFAAHN Cc1cc(C)cc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)c1 ZINC000014961456 556464246 /nfs/dbraw/zinc/46/42/46/556464246.db2.gz SYFFXSMEESGNKJ-UHFFFAOYSA-N 0 3 435.547 2.994 50 0 IFAAHN CCN1CCC[C@@H]1CNC(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 ZINC000014978417 556469656 /nfs/dbraw/zinc/46/96/56/556469656.db2.gz WKBKZFFMNSTCKU-GOSISDBHSA-N 0 3 429.561 2.689 50 0 IFAAHN COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N4CC[C@@H](N(C)C)C4)c3C)ncc1CC2 ZINC000014987786 556473302 /nfs/dbraw/zinc/47/33/02/556473302.db2.gz CXPYOCGUVKOHIF-GOSISDBHSA-N 0 3 432.528 2.521 50 0 IFAAHN CCOC(=O)N1CCN(C(=O)[C@H]2CC23CCN(Cc2ccc4c(c2)CCO4)CC3)CC1 ZINC000014991844 556475534 /nfs/dbraw/zinc/47/55/34/556475534.db2.gz GOPBNCURESFQAX-HXUWFJFHSA-N 0 3 427.545 2.524 50 0 IFAAHN COc1ccc(CCN2C[C@@H](C(=O)NC[C@@H](c3ccccc3)N(C)C)CC2=O)cc1OC ZINC000013130958 556480082 /nfs/dbraw/zinc/48/00/82/556480082.db2.gz NBHBYWWKRXIEAH-SFTDATJTSA-N 0 3 439.556 2.514 50 0 IFAAHN COc1cccc(-n2c(CNC(=O)[C@@H]3CCOC(C)(C)C3)nnc2SCCN(C)C)c1 ZINC000015006064 556481658 /nfs/dbraw/zinc/48/16/58/556481658.db2.gz WSIWNHZUZFLPLP-MRXNPFEDSA-N 0 3 447.605 2.751 50 0 IFAAHN C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1Cl ZINC000072289517 556483857 /nfs/dbraw/zinc/48/38/57/556483857.db2.gz MDQAGVIRVRKKJF-RWMBFGLXSA-N 0 3 436.405 2.998 50 0 IFAAHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Cc1csc(N2CCCNC2=O)n1 ZINC000072304580 556548827 /nfs/dbraw/zinc/54/88/27/556548827.db2.gz WWAIIBUIIFMDAN-IBGZPJMESA-N 0 3 441.601 2.976 50 0 IFAAHN COc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1Cl ZINC000033326817 556561704 /nfs/dbraw/zinc/56/17/04/556561704.db2.gz VFFACCADLYIZEZ-UHFFFAOYSA-N 0 3 446.939 2.638 50 0 IFAAHN CCOC(=O)CCN(CC(=O)Nc1sccc1C(=O)OCC)C[C@@H]1CCCN1CC ZINC000072308754 556567327 /nfs/dbraw/zinc/56/73/27/556567327.db2.gz JRYNNMNUFPUTRL-INIZCTEOSA-N 0 3 439.578 2.603 50 0 IFAAHN Cc1cc(C(=O)CN2CC[C@H](N(C)Cc3ccccc3)C2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000072308747 556567512 /nfs/dbraw/zinc/56/75/12/556567512.db2.gz JHOHVSDHIQXHKH-FCHUYYIVSA-N 0 3 443.613 2.854 50 0 IFAAHN COc1ccc(-n2ncc(C(=O)NC[C@H](c3ccccc3)N(C)C)c2C(F)(F)F)nn1 ZINC000032909267 556573094 /nfs/dbraw/zinc/57/30/94/556573094.db2.gz UZUXWTSYSSMWLA-OAHLLOKOSA-N 0 3 434.422 2.722 50 0 IFAAHN COc1ccc(-n2ncc(C(=O)NC[C@@H](c3ccccc3)N(C)C)c2C(F)(F)F)nn1 ZINC000032909268 556573101 /nfs/dbraw/zinc/57/31/01/556573101.db2.gz UZUXWTSYSSMWLA-HNNXBMFYSA-N 0 3 434.422 2.722 50 0 IFAAHN COc1cc(C(=O)N2CCC(CC(=O)NCCN3CCCCC3)CC2)cc(OC)c1OC ZINC000032974271 556596533 /nfs/dbraw/zinc/59/65/33/556596533.db2.gz SKMJIVYPIPDHJR-UHFFFAOYSA-N 0 3 447.576 2.557 50 0 IFAAHN COc1cc(OC)cc(C(=O)N[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C(C)C)c1 ZINC000032986428 556606089 /nfs/dbraw/zinc/60/60/89/556606089.db2.gz NEBZSJIUDGVDKL-REWPJTCUSA-N 0 3 439.556 2.849 50 0 IFAAHN COc1cccc(-c2ccc(=O)n(CC(=O)NC3CCN(Cc4ccccc4)CC3)n2)c1 ZINC000040287025 556634735 /nfs/dbraw/zinc/63/47/35/556634735.db2.gz BIURMVWYGBCROT-UHFFFAOYSA-N 0 3 432.524 2.700 50 0 IFAAHN Cc1ccc(NC(=O)Nc2ccc(C)n(CC(=O)NCCN3CCCCC3)c2=O)cc1 ZINC000097938432 556634758 /nfs/dbraw/zinc/63/47/58/556634758.db2.gz FGAZLKUUNHBNON-UHFFFAOYSA-N 0 3 425.533 2.711 50 0 IFAAHN CCOc1cc(CNCCN2CCOCC2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040720797 556646869 /nfs/dbraw/zinc/64/68/69/556646869.db2.gz CXESVZYXAVQJMI-UHFFFAOYSA-N 0 3 427.545 2.833 50 0 IFAAHN Cn1c2ccc([C@H](O)COc3ccc(CNC[C@H](O)c4ccccc4)cc3)cc2n(C)c1=O ZINC000040722015 556648058 /nfs/dbraw/zinc/64/80/58/556648058.db2.gz MBHLQFCSGCUVLA-LOSJGSFVSA-N 0 3 447.535 2.813 50 0 IFAAHN COc1ccc(CN2CCCC[C@H]2CCn2cc(C(=O)NC3CC3)nn2)c(OC)c1C ZINC000011880827 556668288 /nfs/dbraw/zinc/66/82/88/556668288.db2.gz VCLQAWRPGWRFJO-IBGZPJMESA-N 0 3 427.549 2.941 50 0 IFAAHN C[C@@H]1CCCN(CCNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)C1 ZINC000032931453 556675464 /nfs/dbraw/zinc/67/54/64/556675464.db2.gz RHJPCVMXCZWSIB-LJQANCHMSA-N 0 3 441.597 2.895 50 0 IFAAHN O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000252518193 556690785 /nfs/dbraw/zinc/69/07/85/556690785.db2.gz AHGLDBDJWXRFGQ-JOCHJYFZSA-N 0 3 434.540 2.872 50 0 IFAAHN COc1ccc(CN(C)Cc2ccc(C)cc2)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000019223823 556716300 /nfs/dbraw/zinc/71/63/00/556716300.db2.gz FMFWUPFIOPZQMB-QHCPKHFHSA-N 0 3 427.589 2.623 50 0 IFAAHN COc1cccc(NC(=O)C2CC(=O)Nc3c2c(=O)[nH]c(=O)n3CCc2ccccc2)c1 ZINC000061717805 556724313 /nfs/dbraw/zinc/72/43/13/556724313.db2.gz QJUGDSFGADEHPG-KRWDZBQOSA-N 0 3 434.452 2.502 50 0 IFAAHN COc1ccccc1NC(=O)C1CC(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1 ZINC000061717467 556724345 /nfs/dbraw/zinc/72/43/45/556724345.db2.gz ASNKPJYSRCIXRC-OAHLLOKOSA-N 0 3 434.452 2.502 50 0 IFAAHN COc1cccc(NC(=O)C2CC(=O)Nc3c2c(=O)[nH]c(=O)n3CCc2ccccc2)c1 ZINC000061717804 556724382 /nfs/dbraw/zinc/72/43/82/556724382.db2.gz QJUGDSFGADEHPG-QGZVFWFLSA-N 0 3 434.452 2.502 50 0 IFAAHN O=C([C@H]1CC(c2ccccc2)=NO1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058167929 556767081 /nfs/dbraw/zinc/76/70/81/556767081.db2.gz OOFROAOSUPSVCJ-NZQKXSOJSA-N 0 3 433.556 2.635 50 0 IFAAHN CCN1CCN(c2ccc(N[C@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000058170350 556768040 /nfs/dbraw/zinc/76/80/40/556768040.db2.gz WWGWTZRJEKKJSU-JOCHJYFZSA-N 0 3 435.616 2.973 50 0 IFAAHN C[C@H]1CN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn32)CCN1C ZINC000019636907 556835533 /nfs/dbraw/zinc/83/55/33/556835533.db2.gz BALURPGPSSVQFE-FQEVSTJZSA-N 0 3 438.620 2.561 50 0 IFAAHN O=C(NCCCN1CCN(c2ccccc2F)CC1)[C@@H]1CCCN(c2ccncc2)C1 ZINC000033128871 556866140 /nfs/dbraw/zinc/86/61/40/556866140.db2.gz XPOKVIWPFOMMMP-HXUWFJFHSA-N 0 3 425.552 2.766 50 0 IFAAHN COc1cc(CNCCN2CCOCC2)cc(Br)c1OCc1cccnc1 ZINC000019872459 556935492 /nfs/dbraw/zinc/93/54/92/556935492.db2.gz MLKDZVOLWNDBFM-UHFFFAOYSA-N 0 3 436.350 2.854 50 0 IFAAHN CCc1ccc(N2CCC(NC3CN(S(=O)(=O)c4ccc(OC)cc4)C3)CC2)cc1 ZINC000097095485 556984113 /nfs/dbraw/zinc/98/41/13/556984113.db2.gz VEDCBQPQIXSFSP-UHFFFAOYSA-N 0 3 429.586 2.889 50 0 IFAAHN CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCCN3CCCCCC3)n2C)c1 ZINC000046023085 557022966 /nfs/dbraw/zinc/02/29/66/557022966.db2.gz XVFNGJCLIDOIKE-UHFFFAOYSA-N 0 3 434.606 2.815 50 0 IFAAHN Cc1cc(=O)oc2cc(OCC(=O)NCC3(N4CCN(C)CC4)CCCCC3)ccc12 ZINC000022933420 557051276 /nfs/dbraw/zinc/05/12/76/557051276.db2.gz DAHIMCZUUHEKPL-UHFFFAOYSA-N 0 3 427.545 2.547 50 0 IFAAHN Cc1ccc(C(=O)N(C)CCc2noc(-c3ccc(C(=O)NCCN(C)C)cc3)n2)cc1 ZINC000033273536 557051769 /nfs/dbraw/zinc/05/17/69/557051769.db2.gz WGDOLDHTYNRPRB-UHFFFAOYSA-N 0 3 435.528 2.651 50 0 IFAAHN CCCNC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)ccc1N1CC[NH2+]CC1 ZINC000033275455 557054405 /nfs/dbraw/zinc/05/44/05/557054405.db2.gz JBMCVRHXIAURHV-UHFFFAOYSA-N 0 3 444.601 2.962 50 0 IFAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)n1 ZINC000049025927 557087959 /nfs/dbraw/zinc/08/79/59/557087959.db2.gz NUTOHWZQLGTTRD-UHFFFAOYSA-N 0 3 435.507 2.877 50 0 IFAAHN CN1CCC(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1 ZINC000023421613 557091761 /nfs/dbraw/zinc/09/17/61/557091761.db2.gz WAWQHKUBVNXNJB-UHFFFAOYSA-N 0 3 434.389 2.605 50 0 IFAAHN O=C(CCCCn1c(=O)[nH]c2ccsc2c1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000004790204 557120556 /nfs/dbraw/zinc/12/05/56/557120556.db2.gz FGTYHTILNSWBDG-UHFFFAOYSA-N 0 3 440.569 2.702 50 0 IFAAHN CCN1CCC[C@@H]1CNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1c(F)cccc1F ZINC000103581356 557316695 /nfs/dbraw/zinc/31/66/95/557316695.db2.gz HUSYJKPYFMYEPF-PEBXRYMYSA-N 0 3 430.455 2.763 50 0 IFAAHN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)C1CCN(c2ccncc2)CC1 ZINC000033129025 557325040 /nfs/dbraw/zinc/32/50/40/557325040.db2.gz SHHBXSHXEYVCHI-UHFFFAOYSA-N 0 3 425.552 2.766 50 0 IFAAHN O=C(C[S@@](=O)Cc1ccco1)NC/C=C\COc1cc(CN2CCCCC2)ccn1 ZINC000004654795 562943480 /nfs/dbraw/zinc/94/34/80/562943480.db2.gz KMZQAVXSMUKBPD-FQRQDQBPSA-N 0 3 431.558 2.661 50 0 in-man IFAAHN CN(CC(=O)NC[C@H](c1ccccc1)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000009691296 562975553 /nfs/dbraw/zinc/97/55/53/562975553.db2.gz AXZDBYBAGOKSGK-HXUWFJFHSA-N 0 3 435.977 2.914 50 0 IFAAHN Cc1c2c(nn1-c1ccccc1)c(=O)n([C@@H](C)C(=O)NCCN1CCCCCC1)nc2C ZINC000015943113 563019989 /nfs/dbraw/zinc/01/99/89/563019989.db2.gz DSBKCNFPYZQEFA-IBGZPJMESA-N 0 3 436.560 2.752 50 0 IFAAHN COc1ccccc1-c1ccnc(-n2ncc(C(=O)NCCN(C)C)c2-c2ccco2)n1 ZINC000299762392 568755975 /nfs/dbraw/zinc/75/59/75/568755975.db2.gz VUOPKWGOMHGKIE-UHFFFAOYSA-N 0 3 432.484 2.889 50 0 IFAAHN CCN1CCC[C@@H]1CNC(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1COC ZINC000299783351 568757210 /nfs/dbraw/zinc/75/72/10/568757210.db2.gz ZRNGVOOQQAICKJ-OAHLLOKOSA-N 0 3 426.546 2.751 50 0 IFAAHN COc1cccc(-c2cc3n(n2)[C@H](NCCCN2CCc4ccccc4C2)CNC3=O)c1 ZINC000263615646 568776218 /nfs/dbraw/zinc/77/62/18/568776218.db2.gz DKHDZFBTKLPXKU-DEOSSOPVSA-N 0 3 431.540 2.839 50 0 IFAAHN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CNCCCN1CCOCC1 ZINC000006143177 568845588 /nfs/dbraw/zinc/84/55/88/568845588.db2.gz APXUUQCRCDOSDQ-UHFFFAOYSA-N 0 3 431.558 2.842 50 0 IFAAHN COc1ccc(-n2nnnc2C2(NCCc3c[nH]c4ccccc34)CCN(C)CC2)cc1 ZINC000575443894 568869859 /nfs/dbraw/zinc/86/98/59/568869859.db2.gz SVQKJTIAIWFROT-UHFFFAOYSA-N 0 3 431.544 2.905 50 0 IFAAHN CN1CCN(CCCNC(=O)c2nc(N3CCCC3)ncc2Cl)[C@@H](c2ccccc2)C1 ZINC000229785258 568887028 /nfs/dbraw/zinc/88/70/28/568887028.db2.gz ODUWBHODAFGELK-HXUWFJFHSA-N 0 3 442.995 2.839 50 0 IFAAHN CN(C)CCNC(=O)CN(C)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704339 568944588 /nfs/dbraw/zinc/94/45/88/568944588.db2.gz VMPFBIQKPSOSEI-UHFFFAOYSA-N 0 3 429.594 2.782 50 0 IFAAHN O=C(NCCN1CCCCC1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036254963 568984843 /nfs/dbraw/zinc/98/48/43/568984843.db2.gz MXVWPLYGKGKYQY-HSZRJFAPSA-N 0 3 444.595 2.744 50 0 IFAAHN CC(=O)N1CCCSc2ccc(S(=O)(=O)NCCCN3CCC(C)CC3)cc21 ZINC000064952239 568996929 /nfs/dbraw/zinc/99/69/29/568996929.db2.gz ABNLBZSKQGVVPC-UHFFFAOYSA-N 0 3 425.620 2.936 50 0 IFAAHN CCCN1CCN(CCNC(=O)[C@H]2CCCN(c3ncc(-c4ccccc4)cn3)C2)CC1 ZINC000065023716 569089488 /nfs/dbraw/zinc/08/94/88/569089488.db2.gz BTLHSQZJJBJSAK-QFIPXVFZSA-N 0 3 436.604 2.504 50 0 IFAAHN Cc1ccc(S(=O)(=O)N2CCC3(CC2)NCCN=C3NCc2ccccc2F)cc1C ZINC000065074837 569099113 /nfs/dbraw/zinc/09/91/13/569099113.db2.gz RVTJFANYANNDLP-UHFFFAOYSA-N 0 3 444.576 2.757 50 0 IFAAHN CCc1nc2c(c(=O)n1CC(=O)Nc1ccc3c(c1)OCO3)CN(Cc1ccccc1)CC2 ZINC000065153572 569112003 /nfs/dbraw/zinc/11/20/03/569112003.db2.gz DSFSEDQFGPJCEE-UHFFFAOYSA-N 0 3 446.507 2.731 50 0 IFAAHN COc1ccc(-c2nnc(N3CCC(C(=O)NCCN4CCCC[C@@H]4C)CC3)o2)cc1 ZINC000065229797 569118246 /nfs/dbraw/zinc/11/82/46/569118246.db2.gz USDFERPWYYCRRQ-KRWDZBQOSA-N 0 3 427.549 2.952 50 0 IFAAHN CN1CCC(NC(=O)CCn2c3nn(Cc4ccccc4)cc3c(C(F)F)cc2=O)CC1 ZINC000036621310 569126088 /nfs/dbraw/zinc/12/60/88/569126088.db2.gz SFPAJQZWRRNIJJ-UHFFFAOYSA-N 0 3 443.498 2.784 50 0 IFAAHN Cc1ccc(CN2CC[C@@H](CNC(=O)Cn3ncc4c5ccccc5[nH]c4c3=O)C2)cc1 ZINC000009211342 569175204 /nfs/dbraw/zinc/17/52/04/569175204.db2.gz LORHSSFMCXPPBY-IBGZPJMESA-N 0 3 429.524 2.825 50 0 IFAAHN Cc1cs/c(=N\C(=O)c2ccc(F)cc2)n1Cc1ccc(C(=O)NCCN(C)C)o1 ZINC000037437608 569196283 /nfs/dbraw/zinc/19/62/83/569196283.db2.gz OKSVPGSHMNCZCF-FLFQWRMESA-N 0 3 430.505 2.671 50 0 IFAAHN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCN1CCC2(CC1)OCCO2 ZINC000002215988 569203541 /nfs/dbraw/zinc/20/35/41/569203541.db2.gz NJQSBEZOWSMZHZ-UHFFFAOYSA-N 0 3 431.489 2.521 50 0 IFAAHN CC(C)N1CCN([C@H]2CCOC3(CCN(C(=O)NCCc4ccccc4)CC3)C2)CC1 ZINC000581819727 569211467 /nfs/dbraw/zinc/21/14/67/569211467.db2.gz FJEGDQSDASDUDS-QHCPKHFHSA-N 0 3 428.621 2.978 50 0 IFAAHN COc1ccc(C(=O)N2CCC3(CC2)C[C@H](N2CCN(CC(C)C)CC2)CCO3)cn1 ZINC000581820156 569211795 /nfs/dbraw/zinc/21/17/95/569211795.db2.gz VOPLVWGVFNSJAA-OAQYLSRUSA-N 0 3 430.593 2.518 50 0 IFAAHN CCN1CCc2c(sc3c2c(=O)n(-c2ccc(Cl)cc2)c(=O)n3CCN(C)C)C1 ZINC000002434908 569303639 /nfs/dbraw/zinc/30/36/39/569303639.db2.gz QSCMYERFZPSJJZ-UHFFFAOYSA-N 0 3 432.977 2.807 50 0 IFAAHN CCCCn1c(N)c(N(CCC(C)C)C(=O)CN[C@H](C)c2ccccc2)c(=O)[nH]c1=O ZINC000013096345 569309595 /nfs/dbraw/zinc/30/95/95/569309595.db2.gz XWHJQMWOBHQEAL-QGZVFWFLSA-N 0 3 429.565 2.649 50 0 IFAAHN CN(C)CCn1cc(NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)cn1 ZINC000078927999 569320232 /nfs/dbraw/zinc/32/02/32/569320232.db2.gz NPSZEOSHMLATFR-VWLOTQADSA-N 0 3 427.368 2.734 50 0 IFAAHN CCOC(=O)C1=C(CN2CCN([C@@H](C)CC)CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214045 569356493 /nfs/dbraw/zinc/35/64/93/569356493.db2.gz UGVYJNRRDPDBTH-MGPUTAFESA-N 0 3 434.968 2.927 50 0 IFAAHN O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)N1CCN(C2CCCCC2)CC1 ZINC000020355024 569361250 /nfs/dbraw/zinc/36/12/50/569361250.db2.gz OKKWYZJOVRUQNB-UHFFFAOYSA-N 0 3 445.567 2.859 50 0 IFAAHN c1ccc(CN2CCN(CC3(CN4CCN(Cc5ccccc5)CC4)COC3)CC2)cc1 ZINC000095401395 569363930 /nfs/dbraw/zinc/36/39/30/569363930.db2.gz IYUPEFLHOIXPBX-UHFFFAOYSA-N 0 3 434.628 2.639 50 0 IFAAHN CN(C)CCOc1cc(NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)ccn1 ZINC000095448404 569367601 /nfs/dbraw/zinc/36/76/01/569367601.db2.gz ICJFSNROCMZAIY-QGZVFWFLSA-N 0 3 447.333 2.776 50 0 IFAAHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1 ZINC000095456450 569368846 /nfs/dbraw/zinc/36/88/46/569368846.db2.gz LDBZECHJLWZJSG-OAQYLSRUSA-N 0 3 443.569 2.584 50 0 IFAAHN C[C@H](C(=O)NCc1ccc(OC2CCN(C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000095482554 569374431 /nfs/dbraw/zinc/37/44/31/569374431.db2.gz NLORHLNCSFNJRJ-GOSISDBHSA-N 0 3 445.585 2.631 50 0 IFAAHN O=C(NCc1ccccc1CN1CCC[C@H]1CO)C1CCN(C(=O)c2ccccc2)CC1 ZINC000096007010 569379526 /nfs/dbraw/zinc/37/95/26/569379526.db2.gz UGIBKTXPGLZFFC-DEOSSOPVSA-N 0 3 435.568 2.812 50 0 IFAAHN CN(CCNC(=O)C[C@@H](C(=O)N1CCc2ccccc21)n1ccnc1)Cc1ccccc1 ZINC000003046182 569438728 /nfs/dbraw/zinc/43/87/28/569438728.db2.gz ICQQRPNXZZLVJF-QHCPKHFHSA-N 0 3 431.540 2.652 50 0 IFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-n2cnnn2)ccc1Br ZINC000032102230 569460155 /nfs/dbraw/zinc/46/01/55/569460155.db2.gz XAYUJDWPOZTQHY-UHFFFAOYSA-N 0 3 441.333 2.819 50 0 IFAAHN Cc1nc(NCCNC(=O)C(c2ccccc2)c2ccccc2)cc(N2CCOCC2)n1 ZINC000038488295 569462992 /nfs/dbraw/zinc/46/29/92/569462992.db2.gz PSDAMMCJPZWAPN-UHFFFAOYSA-N 0 3 431.540 2.982 50 0 IFAAHN CCOC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000067287274 569467271 /nfs/dbraw/zinc/46/72/71/569467271.db2.gz DZRATKYHBLYJOL-JOCHJYFZSA-N 0 3 444.551 2.947 50 0 IFAAHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)CCn1nnc2ccccc2c1=O ZINC000040142754 569491895 /nfs/dbraw/zinc/49/18/95/569491895.db2.gz VILMOHKJCUXQEX-JOCHJYFZSA-N 0 3 433.556 2.771 50 0 IFAAHN CCn1c(=O)[n-]c(=O)c2c(C(=O)NCCCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc(C(C)C)nc21 ZINC000040146758 569492355 /nfs/dbraw/zinc/49/23/55/569492355.db2.gz BDONJYRNUMUOSU-IRXDYDNUSA-N 0 3 443.592 2.716 50 0 IFAAHN CCCCN(C)CCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)CC ZINC000040450362 569506287 /nfs/dbraw/zinc/50/62/87/569506287.db2.gz LYYRJTOLFQCRPY-UHFFFAOYSA-N 0 3 446.411 2.758 50 0 IFAAHN C[C@@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)N1[C@H](C)CC[C@@H]1C ZINC000069569927 569507392 /nfs/dbraw/zinc/50/73/92/569507392.db2.gz KCGHMMOJZYXEQA-KYLIDDIDSA-N 0 3 445.541 2.829 50 0 IFAAHN CC(C)[C@H](CNC(=O)COc1cccc(S(C)(=O)=O)c1)N1CCc2ccccc2C1 ZINC000070040832 569529397 /nfs/dbraw/zinc/52/93/97/569529397.db2.gz GJXSNTLWYOVUEP-QFIPXVFZSA-N 0 3 430.570 2.668 50 0 IFAAHN CCCCn1c(N)c(N(C(=O)CN2CC[C@H]3CCCC[C@@H]3C2)C2CCCC2)c(=O)[nH]c1=O ZINC000009723400 569563604 /nfs/dbraw/zinc/56/36/04/569563604.db2.gz TYCUCMYWALTASJ-QZTJIDSGSA-N 0 3 445.608 2.707 50 0 IFAAHN CCN(CC)c1ccc2nnc(CCC(=O)NC[C@@H]3CCN(Cc4ccc(C)cc4)C3)n2n1 ZINC000009742726 569565416 /nfs/dbraw/zinc/56/54/16/569565416.db2.gz QZZCIOVTBQOSGL-NRFANRHFSA-N 0 3 449.603 2.850 50 0 IFAAHN CC(=O)c1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)cc1 ZINC000009747349 569565847 /nfs/dbraw/zinc/56/58/47/569565847.db2.gz PKCMQYOQBOTVOC-UHFFFAOYSA-N 0 3 428.558 2.617 50 0 IFAAHN Cc1nn(CC(=O)NCCCN2CCc3ccccc3C2)c(=O)c2cc3sccc3n21 ZINC000009848505 569571262 /nfs/dbraw/zinc/57/12/62/569571262.db2.gz QYJMINGJINWJIX-UHFFFAOYSA-N 0 3 435.553 2.584 50 0 IFAAHN CCOc1ccc(CCN[C@@H]2CC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC ZINC000009971457 569576253 /nfs/dbraw/zinc/57/62/53/569576253.db2.gz DREGDJAZILKIPW-LJQANCHMSA-N 0 3 440.496 2.735 50 0 IFAAHN CCCN1CCN(c2ncc3c(n2)CCN(Cc2ccc(OC)c(OC)c2OC)C3)CC1 ZINC000008608705 132287842 /nfs/dbraw/zinc/28/78/42/132287842.db2.gz DQADECKTPQQHHY-UHFFFAOYSA-N 0 3 441.576 2.593 50 0 IFAAHN C/C(=C\c1ccccc1)CN1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1 ZINC000012125487 518444418 /nfs/dbraw/zinc/44/44/18/518444418.db2.gz UXCWHQAMHRECCJ-DYTRJAOYSA-N 0 3 445.567 2.977 50 0 IFAAHN CC(C)(C)c1ccc(C(=O)N(CCC(=O)N2CCNCC2)CCN2CCCCC2)cc1 ZINC000035422053 519012614 /nfs/dbraw/zinc/01/26/14/519012614.db2.gz OLNZSAPJFWBPJH-UHFFFAOYSA-N 0 3 428.621 2.734 50 0 IFAAHN CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCCN2CCCC2)CC1 ZINC000021650491 519702079 /nfs/dbraw/zinc/70/20/79/519702079.db2.gz OMLQCCOFDLIOHO-UHFFFAOYSA-N 0 3 438.576 2.568 50 0 IFAAHN CCCN1CCN(CCCNC(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)CC1 ZINC000020436001 519858246 /nfs/dbraw/zinc/85/82/46/519858246.db2.gz AIMXXWILLNYYIA-UHFFFAOYSA-N 0 3 447.626 2.850 50 0 IFAAHN CCOc1cc(CNCCCN2CCOCC2)cc(Cl)c1OCC(=O)NC(C)(C)C ZINC000012473644 520711401 /nfs/dbraw/zinc/71/14/01/520711401.db2.gz CVBOLAANOZWAIG-UHFFFAOYSA-N 0 3 442.000 2.844 50 0 IFAAHN CCOc1cc(CNCc2cccn2-c2nnc(N3CCN(C)CC3)s2)ccc1OC ZINC000021531673 520724460 /nfs/dbraw/zinc/72/44/60/520724460.db2.gz NPLVOWLLWOICRN-UHFFFAOYSA-N 0 3 442.589 2.778 50 0 IFAAHN CC1=C(C(=O)N2CCC(CCC(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)OCCO1 ZINC000012707651 520793056 /nfs/dbraw/zinc/79/30/56/520793056.db2.gz FRUFXPVAZYVYKU-QFIPXVFZSA-N 0 3 441.572 2.674 50 0 IFAAHN CCN1CCC[C@H]1CNC(=O)CN1c2ccccc2N(C(=O)Nc2ccc(C)cc2)CC1=O ZINC000021943370 521654762 /nfs/dbraw/zinc/65/47/62/521654762.db2.gz RMUVUVISQJRAJE-FQEVSTJZSA-N 0 3 449.555 2.981 50 0 IFAAHN CCN1CCN(CCCNC(=O)c2ccc(C[S@](=O)c3ccc(Cl)cc3)o2)CC1 ZINC000020514896 521681024 /nfs/dbraw/zinc/68/10/24/521681024.db2.gz VBFVEIDAHYOPEI-GDLZYMKVSA-N 0 3 437.993 2.998 50 0 IFAAHN CCN1CCN(c2ccc(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)c(C)c2)CC1 ZINC000012522697 521699399 /nfs/dbraw/zinc/69/93/99/521699399.db2.gz BHQYIXHFEWSUKV-KRWDZBQOSA-N 0 3 448.564 2.582 50 0 IFAAHN CCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)ccc1N1CC[NH2+]CC1 ZINC000021664312 521747228 /nfs/dbraw/zinc/74/72/28/521747228.db2.gz DRGFMKDVHBGRLF-UHFFFAOYSA-N 0 3 444.601 2.845 50 0 IFAAHN CN(C)CCN(Cc1ccccc1)C(=O)CCN(Cc1ccco1)C(=O)c1cnccn1 ZINC000035819388 521750769 /nfs/dbraw/zinc/75/07/69/521750769.db2.gz LGQIMLHABCMBHS-UHFFFAOYSA-N 0 3 435.528 2.693 50 0 IFAAHN COCCn1ccc2nc(C)c(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2c1=O ZINC000021917088 522134023 /nfs/dbraw/zinc/13/40/23/522134023.db2.gz YKCXMIVXHMPKQN-UHFFFAOYSA-N 0 3 434.540 2.746 50 0 IFAAHN COc1cc(CNCc2ccc(Cl)s2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000012706950 522465589 /nfs/dbraw/zinc/46/55/89/522465589.db2.gz CAAQCHRDIVXRPM-MRXNPFEDSA-N 0 3 426.966 2.772 50 0 IFAAHN COc1cc(CNCc2cccc(Cl)c2)ccc1OC[C@@H](O)CN1CCC(O)CC1 ZINC000012580457 522466644 /nfs/dbraw/zinc/46/66/44/522466644.db2.gz FKIDTFMHYYBSCD-NRFANRHFSA-N 0 3 434.964 2.835 50 0 IFAAHN CN(CCc1cnn(C)c1)Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000020541308 522984209 /nfs/dbraw/zinc/98/42/09/522984209.db2.gz NICZQQRMYXZQRF-VWLOTQADSA-N 0 3 434.584 2.893 50 0 IFAAHN COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)Cc2cc(OC)ccc2OC)CC1 ZINC000012300838 523812100 /nfs/dbraw/zinc/81/21/00/523812100.db2.gz BXIBTQLGEJAVOX-JOCHJYFZSA-N 0 3 434.577 2.612 50 0 IFAAHN CN1CCC[C@@H](CNC(=O)c2cn(C3CC3)cc(C(=O)NCC3CCCCC3)c2=O)C1 ZINC000012282449 523814902 /nfs/dbraw/zinc/81/49/02/523814902.db2.gz FOUDMGDPYKSYQY-SFHVURJKSA-N 0 3 428.577 2.565 50 0 IFAAHN COCCNC(=O)[C@@H]1C[C@@H](NCc2ccc(OCc3ccccc3)cc2)CN1C(C)C ZINC000020600510 523913281 /nfs/dbraw/zinc/91/32/81/523913281.db2.gz OWACGOURLLOLAO-VWNXMTODSA-N 0 3 425.573 2.969 50 0 IFAAHN COCCNC(=O)c1ccc(OC)cc1OC1CCN([C@@H](C)Cc2ccccn2)CC1 ZINC000012307071 523926024 /nfs/dbraw/zinc/92/60/24/523926024.db2.gz UCTRXWNHHRDFMK-SFHVURJKSA-N 0 3 427.545 2.941 50 0 IFAAHN COc1ccc(CN(C)Cc2nnc(C)o2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000012588144 524008925 /nfs/dbraw/zinc/00/89/25/524008925.db2.gz LMFZCJNTIZKKBH-OAQYLSRUSA-N 0 3 440.544 2.890 50 0 IFAAHN Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)s1 ZINC000020600674 524475942 /nfs/dbraw/zinc/47/59/42/524475942.db2.gz JCWJBFIFIDTAIE-KRWDZBQOSA-N 0 3 425.558 2.963 50 0 IFAAHN Cc1cccc(NC(=O)CN2CCN(C(=O)NCc3ccccc3CN(C)C)CC2)c1C ZINC000012765368 524591744 /nfs/dbraw/zinc/59/17/44/524591744.db2.gz LYRZZDMUBNGYHB-UHFFFAOYSA-N 0 3 437.588 2.831 50 0 IFAAHN Cc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN(C)C)no2)cc1C ZINC000036001628 525727370 /nfs/dbraw/zinc/72/73/70/525727370.db2.gz WCLWQSOKJZCJQZ-NRFANRHFSA-N 0 3 434.540 2.977 50 0 IFAAHN Cc1nn(CCCC(=O)N2CCN(C3CCCCC3)CC2)c(=O)c2cc3occc3n21 ZINC000020866267 526278997 /nfs/dbraw/zinc/27/89/97/526278997.db2.gz GPWTWNQWUVNETE-UHFFFAOYSA-N 0 3 425.533 2.808 50 0 IFAAHN O=C(CCn1c(=O)c2cccn2c2cccnc21)NC1CCN(Cc2ccccc2)CC1 ZINC000020512609 526666980 /nfs/dbraw/zinc/66/69/80/526666980.db2.gz XKGSPECRWQHNGM-UHFFFAOYSA-N 0 3 429.524 2.820 50 0 IFAAHN Cn1ccnc1SCC(=O)Nc1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1 ZINC000012796032 527448637 /nfs/dbraw/zinc/44/86/37/527448637.db2.gz YICQHEXMTRZNPP-UHFFFAOYSA-N 0 3 436.541 2.508 50 0 IFAAHN CN(C)c1nc(N2CCN(C3CCCCC3)CC2)nc2c1CN(C(=O)c1ccco1)CC2 ZINC000034676789 555794590 /nfs/dbraw/zinc/79/45/90/555794590.db2.gz YGKWUKJQIFDXQN-UHFFFAOYSA-N 0 3 438.576 2.789 50 0 IFAAHN COc1cccc(C(=O)N2[C@H](C(=O)NC3CCN(C)CC3)COC23CCC(C)CC3)c1 ZINC000034921155 555931482 /nfs/dbraw/zinc/93/14/82/555931482.db2.gz LOBOSVPKVFAUQT-LBVATQBMSA-N 0 3 429.561 2.653 50 0 IFAAHN Cn1c2nc(SCCN3CCCCC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O ZINC000004103115 555962509 /nfs/dbraw/zinc/96/25/09/555962509.db2.gz FKZHXROWVQMDAU-UHFFFAOYSA-N 0 3 427.574 2.634 50 0 IFAAHN COC(=O)C(Cc1nc2ccccc2[nH]c1=O)C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000005399577 556050778 /nfs/dbraw/zinc/05/07/78/556050778.db2.gz CHIWWIOVGHUPFF-LLVKDONJSA-N 0 3 448.262 2.769 50 0 IFAAHN CCOc1cc(CNCCNC(=O)c2nonc2N)ccc1OCc1ccccc1Cl ZINC000009194377 556254437 /nfs/dbraw/zinc/25/44/37/556254437.db2.gz QKJORNYYIOTCCP-UHFFFAOYSA-N 0 3 445.907 2.803 50 0 IFAAHN COc1cc(CNCCNC(=O)c2nonc2N)ccc1OCc1c(F)cccc1Cl ZINC000009194475 556254480 /nfs/dbraw/zinc/25/44/80/556254480.db2.gz PJZCJNITGPAPGB-UHFFFAOYSA-N 0 3 449.870 2.552 50 0 IFAAHN O=C(CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCN(c2ccccn2)CC1 ZINC000032776707 556326912 /nfs/dbraw/zinc/32/69/12/556326912.db2.gz ODRWFKFATDFJFX-UHFFFAOYSA-N 0 3 447.505 2.961 50 0 IFAAHN Cc1ccccc1[C@]1(CC(=O)N(C)C2CCN(C)CC2)CC(=O)N(Cc2cccnc2)C1=O ZINC000011790973 556355673 /nfs/dbraw/zinc/35/56/73/556355673.db2.gz ZTDLIIASWWVGRF-SANMLTNESA-N 0 3 448.567 2.530 50 0 IFAAHN COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)NCCN4CCCC4)c3C)ncc1CC2 ZINC000012037308 556390240 /nfs/dbraw/zinc/39/02/40/556390240.db2.gz DXWWZJBVLPBYOF-UHFFFAOYSA-N 0 3 432.528 2.571 50 0 IFAAHN COC(=O)C1CCN(C[C@H](O)COc2ccc(CNCc3cccc(C)c3)cc2)CC1 ZINC000012058084 556394958 /nfs/dbraw/zinc/39/49/58/556394958.db2.gz NNMBOJWKOHSTOR-QHCPKHFHSA-N 0 3 426.557 2.910 50 0 IFAAHN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000014247753 556407394 /nfs/dbraw/zinc/40/73/94/556407394.db2.gz WZHYIHLVTGQEFG-QFIPXVFZSA-N 0 3 445.585 2.709 50 0 IFAAHN COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cccc(F)c1)CC2 ZINC000014532706 556421328 /nfs/dbraw/zinc/42/13/28/556421328.db2.gz AADCOIJCIPBZIY-UHFFFAOYSA-N 0 3 426.492 2.666 50 0 IFAAHN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1cccc(F)c1F)C2 ZINC000014538450 556424411 /nfs/dbraw/zinc/42/44/11/556424411.db2.gz MSGAGFZVUVTAMY-KRWDZBQOSA-N 0 3 432.515 2.937 50 0 IFAAHN COCc1ccc(CN2CCC3(CC2)C(=O)N(CCN(C)C)C(=O)N3CCC(C)C)o1 ZINC000014747704 556441993 /nfs/dbraw/zinc/44/19/93/556441993.db2.gz AYAPWQBTYRRIII-UHFFFAOYSA-N 0 3 434.581 2.633 50 0 IFAAHN COc1ccc(C(=O)N2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)c(OC)c1 ZINC000014948835 556460274 /nfs/dbraw/zinc/46/02/74/556460274.db2.gz CKWYFLHMJBGWJF-SFHVURJKSA-N 0 3 431.577 2.889 50 0 IFAAHN O=C(NCCCO)c1cn(C2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)nn1 ZINC000014991696 556475373 /nfs/dbraw/zinc/47/53/73/556475373.db2.gz CFCZWAGRKXSUQT-UHFFFAOYSA-N 0 3 431.540 2.799 50 0 IFAAHN COc1ccc2c(c1)O[C@@H](C)C[N@@H+](CCC(=O)NCCc1nnc(-c3ccccc3)[n-]1)C2 ZINC000015006173 556481578 /nfs/dbraw/zinc/48/15/78/556481578.db2.gz BTCXWBBBPAQBMW-KRWDZBQOSA-N 0 3 435.528 2.812 50 0 IFAAHN COc1ccc2c(c1)O[C@@H](C)C[N@H+](CCC(=O)NCCc1nnc(-c3ccccc3)[n-]1)C2 ZINC000015006173 556481583 /nfs/dbraw/zinc/48/15/83/556481583.db2.gz BTCXWBBBPAQBMW-KRWDZBQOSA-N 0 3 435.528 2.812 50 0 IFAAHN COc1ccc2c(c1)O[C@@H](C)CN(CCC(=O)NCCc1nc(-c3ccccc3)n[nH]1)C2 ZINC000015006173 556481586 /nfs/dbraw/zinc/48/15/86/556481586.db2.gz BTCXWBBBPAQBMW-KRWDZBQOSA-N 0 3 435.528 2.812 50 0 IFAAHN O[C@@H](COCc1ccco1)CN(Cc1ccc(F)cc1)C[C@@H](O)COCc1ccco1 ZINC000013149394 556491054 /nfs/dbraw/zinc/49/10/54/556491054.db2.gz UCWAFPKSDIPGHA-NHCUHLMSSA-N 0 3 433.476 2.969 50 0 IFAAHN O=C(NCCCN(CCN1CCOCC1)Cc1cccs1)[C@H]1COc2ccccc2C1 ZINC000022937984 556511476 /nfs/dbraw/zinc/51/14/76/556511476.db2.gz YMZNFPCGHZTFOI-OAQYLSRUSA-N 0 3 443.613 2.640 50 0 IFAAHN COc1ccc([C@@H](CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)N(C)C)cc1 ZINC000015534283 556533571 /nfs/dbraw/zinc/53/35/71/556533571.db2.gz MSJBJXJXTFSQON-MRXNPFEDSA-N 0 3 426.542 2.754 50 0 IFAAHN CC(C)N1C[C@@H](NCc2ccc(F)cc2F)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000032513772 556540510 /nfs/dbraw/zinc/54/05/10/556540510.db2.gz QODSCNRCCFGWAX-FPOVZHCZSA-N 0 3 445.510 2.993 50 0 IFAAHN CCCN1CCN(CCCNC(=O)Cc2ccc3nc(NC(=O)CC)sc3c2)CC1 ZINC000032959688 556549684 /nfs/dbraw/zinc/54/96/84/556549684.db2.gz IIFZYIKNSSDVDC-UHFFFAOYSA-N 0 3 431.606 2.721 50 0 IFAAHN 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569113324 /nfs/dbraw/zinc/11/33/24/569113324.db2.gz HMWZYVWHSCSNER-UHFFFAOYSA-N 0 3 431.540 2.908 50 0 IFAAHN O=C(c1cccc(N2CCN[C@H](c3ccccc3)C2)n1)N1CCN(c2ccccn2)CC1 ZINC000065256217 569123198 /nfs/dbraw/zinc/12/31/98/569123198.db2.gz QPAHSEJOMZLONM-QFIPXVFZSA-N 0 3 428.540 2.590 50 0 IFAAHN O=C(c1cc2c(s1)CC[C@@H](C(=O)N1CCN(C3CCCCC3)CC1)C2)N1CCOCC1 ZINC000065272775 569129080 /nfs/dbraw/zinc/12/90/80/569129080.db2.gz JGVOFQTVGXHEMN-GOSISDBHSA-N 0 3 445.629 2.802 50 0 IFAAHN CCN1CCN(CCNC(=O)c2c(C)oc3c2CN(Cc2ccc(F)cc2)CC3)CC1 ZINC000065291986 569130572 /nfs/dbraw/zinc/13/05/72/569130572.db2.gz DHDHMFQRDMIDAN-UHFFFAOYSA-N 0 3 428.552 2.653 50 0 IFAAHN Cc1nc(-c2ccccc2)sc1C(=O)NCCNc1cc(N2CCOCC2)nc(C)n1 ZINC000036708066 569134750 /nfs/dbraw/zinc/13/47/50/569134750.db2.gz HFLIOXXYHIYZRV-UHFFFAOYSA-N 0 3 438.557 2.895 50 0 IFAAHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N(C)c1ccc(S(C)(=O)=O)cc1 ZINC000170614866 569146505 /nfs/dbraw/zinc/14/65/05/569146505.db2.gz SPDPEHAPCFEVIT-UHFFFAOYSA-N 0 3 425.501 2.988 50 0 IFAAHN CCC(=O)N1CCC[C@@H](C(=O)OCCCN2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000170617217 569147200 /nfs/dbraw/zinc/14/72/00/569147200.db2.gz CHQXKIUMEGESFI-GOSISDBHSA-N 0 3 425.570 2.511 50 0 IFAAHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCCc1cccc(O)c1 ZINC000089702546 569161790 /nfs/dbraw/zinc/16/17/90/569161790.db2.gz OOSDVTCAMVIAIH-OAQYLSRUSA-N 0 3 447.539 2.642 50 0 IFAAHN Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000017012300 569170449 /nfs/dbraw/zinc/17/04/49/569170449.db2.gz NVCDNLODJTWQLC-UHFFFAOYSA-N 0 3 448.493 2.518 50 0 IFAAHN CN(C)CCNC(=O)c1ccccc1Cn1ccs/c1=N\C(=O)c1ccccc1F ZINC000037428359 569195975 /nfs/dbraw/zinc/19/59/75/569195975.db2.gz WPQWRNLCZNLWRL-LVWGJNHUSA-N 0 3 426.517 2.770 50 0 IFAAHN Cc1s/c(=N\C(=O)c2ccco2)n(Cc2ccccc2C(=O)NCCN(C)C)c1C ZINC000037428018 569196000 /nfs/dbraw/zinc/19/60/00/569196000.db2.gz RYIPPNMVORRICA-GYHWCHFESA-N 0 3 426.542 2.840 50 0 IFAAHN CCCCN(C(=O)CN1CCC[C@@H]2CCC[C@H](C)[C@H]21)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000253531065 569283802 /nfs/dbraw/zinc/28/38/02/569283802.db2.gz WFTCTBMYTZPMNR-JENIJYKNSA-N 0 3 433.597 2.975 50 0 IFAAHN Cc1cc2ncn(C[C@@H](O)CNCc3c[nH]nc3-c3ccc4c(c3)OCCO4)c2cc1C ZINC000078823052 569319422 /nfs/dbraw/zinc/31/94/22/569319422.db2.gz WMRKITDPKYBVPR-IBGZPJMESA-N 0 3 433.512 2.965 50 0 IFAAHN CCOC(=O)C1=C(CN2CCN([C@H](C)CC)CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214048 569356529 /nfs/dbraw/zinc/35/65/29/569356529.db2.gz UGVYJNRRDPDBTH-FOIQADDNSA-N 0 3 434.968 2.927 50 0 IFAAHN CCCN(CCC)CCNC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2F)oc1C ZINC000020242104 569358167 /nfs/dbraw/zinc/35/81/67/569358167.db2.gz CVDQTPATMTYQAB-UHFFFAOYSA-N 0 3 439.553 2.942 50 0 IFAAHN O=C(NCCN1CCCC1)C1CCC(CNS(=O)(=O)c2cccc3cccnc32)CC1 ZINC000020377515 569362311 /nfs/dbraw/zinc/36/23/11/569362311.db2.gz YNDHVQRDONDAOD-UHFFFAOYSA-N 0 3 444.601 2.532 50 0 IFAAHN COC(=O)[C@@H]1CCCC[C@]1(C)NCC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000095444036 569367011 /nfs/dbraw/zinc/36/70/11/569367011.db2.gz XEOMURKUNOTBDR-MBSDFSHPSA-N 0 3 427.501 2.860 50 0 IFAAHN C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccc(C[C@H]4NC(=O)[N-]C4=O)cc3)cc2)C1 ZINC000095456112 569368701 /nfs/dbraw/zinc/36/87/01/569368701.db2.gz ALBLZTDCLVJBTB-HTAPYJJXSA-N 0 3 449.555 2.991 50 0 IFAAHN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccc(C[C@H]4NC(=O)[N-]C4=O)cc3)cc2)C1 ZINC000095456112 569368702 /nfs/dbraw/zinc/36/87/02/569368702.db2.gz ALBLZTDCLVJBTB-HTAPYJJXSA-N 0 3 449.555 2.991 50 0 IFAAHN O=C(CCc1nnc2c3cc(-c4ccc(Cl)cc4)nn3ccn12)NCCN1CCCC1 ZINC000096322337 569394582 /nfs/dbraw/zinc/39/45/82/569394582.db2.gz GCSFZADYMBFYSU-UHFFFAOYSA-N 0 3 437.935 2.842 50 0 IFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000002726405 569418568 /nfs/dbraw/zinc/41/85/68/569418568.db2.gz ZFRWGAOGRGYXBT-UHFFFAOYSA-N 0 3 447.626 2.930 50 0 IFAAHN CCn1c2ccccc2n(CC(=O)N[C@H](C)CCN2CCN(c3cccc(C)c3)CC2)c1=O ZINC000032019909 569458952 /nfs/dbraw/zinc/45/89/52/569458952.db2.gz BARMMLVRPIPWOH-OAQYLSRUSA-N 0 3 449.599 2.848 50 0 IFAAHN O=C1CN(C2CCN(Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3CN12 ZINC000009034141 569497271 /nfs/dbraw/zinc/49/72/71/569497271.db2.gz ASTXNFAFYIFOLM-DEOSSOPVSA-N 0 3 428.536 2.928 50 0 IFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1 ZINC000009441520 569535350 /nfs/dbraw/zinc/53/53/50/569535350.db2.gz WFRODUWNSJYNMX-UHFFFAOYSA-N 0 3 430.574 2.584 50 0 IFAAHN COCCN(CCOC)C[C@@H](O)COC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000009550250 569546667 /nfs/dbraw/zinc/54/66/67/569546667.db2.gz PMIOMZKXGWRFAW-OAQYLSRUSA-N 0 3 433.545 2.766 50 0 IFAAHN O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000009585429 569549580 /nfs/dbraw/zinc/54/95/80/569549580.db2.gz VVXWODHUSXXMIP-UHFFFAOYSA-N 0 3 440.632 2.882 50 0 IFAAHN O=C(CCc1nnc2ccc(NCc3ccccc3Cl)nn21)NCCN1CCCC1 ZINC000009744024 569565558 /nfs/dbraw/zinc/56/55/58/569565558.db2.gz XQAPLLWZUYCMOJ-UHFFFAOYSA-N 0 3 427.940 2.534 50 0 IFAAHN C[C@@H](NC(=O)NCc1ccccc1CN1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000009810827 569569071 /nfs/dbraw/zinc/56/90/71/569569071.db2.gz SLYRAZPWXHEAIH-QGZVFWFLSA-N 0 3 430.574 2.880 50 0 IFAAHN CCCCn1c(N)c(N(C(=O)CN2CCC[C@@H]3CCCC[C@@H]32)C2CCCC2)c(=O)[nH]c1=O ZINC000009949542 569574246 /nfs/dbraw/zinc/57/42/46/569574246.db2.gz KNQIJHJGMGDGQA-HKUYNNGSSA-N 0 3 445.608 2.849 50 0 IFAAHN CC(C)N(CCNS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1)C(C)C ZINC000071796249 569581502 /nfs/dbraw/zinc/58/15/02/569581502.db2.gz HMGOABNWNKWIRC-UHFFFAOYSA-N 0 3 447.388 2.936 50 0 IFAAHN CCN1CCN(c2ccc(NC(=O)CCn3nc(-c4cccs4)oc3=O)cc2)CC1 ZINC000009379200 132314652 /nfs/dbraw/zinc/31/46/52/132314652.db2.gz ICEWIIINANBSLB-UHFFFAOYSA-N 0 3 427.530 2.736 50 0 IFAAHN Cc1cccn2cc(CNC3CCN(c4ccc(C(=O)N5CCC[C@@H](O)C5)cc4)CC3)nc12 ZINC000011784495 132339713 /nfs/dbraw/zinc/33/97/13/132339713.db2.gz MHXQHRIURFMTAM-XMMPIXPASA-N 0 3 447.583 2.998 50 0 IFAAHN CC(=O)N1CCC(N2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)CC1 ZINC000012449472 519511606 /nfs/dbraw/zinc/51/16/06/519511606.db2.gz PRZAVCRZURZZEN-UHFFFAOYSA-N 0 3 436.556 2.866 50 0 IFAAHN CC(C)CCNC(=O)c1cn(C2CCCC2)cc(C(=O)NC[C@H]2CCCN(C)C2)c1=O ZINC000012192918 519662508 /nfs/dbraw/zinc/66/25/08/519662508.db2.gz IUOVEBZPIUZRJP-GOSISDBHSA-N 0 3 430.593 2.811 50 0 IFAAHN CC(=O)Nc1cc(CN[C@@H](C)Cc2ccc(F)cc2)cc(C(=O)N2CCN(C)CC2)c1 ZINC000012219046 519703847 /nfs/dbraw/zinc/70/38/47/519703847.db2.gz VREJSRJTGVXURC-KRWDZBQOSA-N 0 3 426.536 2.893 50 0 IFAAHN CCCN1CCN(CCCNC(=O)c2ccc(NC(=O)C3=C(C)OCCS3)cc2)CC1 ZINC000020919523 519858167 /nfs/dbraw/zinc/85/81/67/519858167.db2.gz CXANACPDSKEOCM-UHFFFAOYSA-N 0 3 446.617 2.768 50 0 IFAAHN CCCN1CCN(CCCNc2nc3c(cnn3C)c(Nc3ccc(OC)cc3)n2)CC1 ZINC000021928755 519858251 /nfs/dbraw/zinc/85/82/51/519858251.db2.gz HNLDLHIWMRXNNF-UHFFFAOYSA-N 0 3 438.580 2.945 50 0 IFAAHN CCCN1CCN(CCCNC(=O)c2ccc(C[S@@](=O)c3ccc(F)cc3)o2)CC1 ZINC000020515077 519858323 /nfs/dbraw/zinc/85/83/23/519858323.db2.gz KECRBCHCNZREEV-PMERELPUSA-N 0 3 435.565 2.874 50 0 IFAAHN CCOC[C@@H](O)CNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012702529 520100229 /nfs/dbraw/zinc/10/02/29/520100229.db2.gz LHXKKBNVOKKNRO-QFIPXVFZSA-N 0 3 426.557 2.900 50 0 IFAAHN CCOC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020557867 520513907 /nfs/dbraw/zinc/51/39/07/520513907.db2.gz WEEDSTHUSILZQA-JOCHJYFZSA-N 0 3 444.551 2.947 50 0 IFAAHN CCOC(=O)C1CCN(C2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)CC1 ZINC000012464995 520573755 /nfs/dbraw/zinc/57/37/55/520573755.db2.gz SDXDDKOSRIZUQN-UHFFFAOYSA-N 0 3 428.533 2.985 50 0 IFAAHN CCOc1cc(CNCCNC(=O)c2nonc2N)ccc1OCc1cccc(Cl)c1 ZINC000040744506 520714324 /nfs/dbraw/zinc/71/43/24/520714324.db2.gz XCRTZFCSBYOYLG-UHFFFAOYSA-N 0 3 445.907 2.803 50 0 IFAAHN CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2)c1N ZINC000021651829 521576361 /nfs/dbraw/zinc/57/63/61/521576361.db2.gz AIPBVRVNDRDKLB-UHFFFAOYSA-N 0 3 425.533 2.722 50 0 IFAAHN CCOC(=O)c1n[nH]cc1CN(CCOC)CC1CCN(Cc2ccccc2OC)CC1 ZINC000012446830 521595462 /nfs/dbraw/zinc/59/54/62/521595462.db2.gz YYFAJEMJOXGGMM-UHFFFAOYSA-N 0 3 444.576 2.956 50 0 IFAAHN CCN1CCC[C@H]1CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccc(OC)cc2CC3)c1C ZINC000012129879 521656910 /nfs/dbraw/zinc/65/69/10/521656910.db2.gz IVFNOSMQLKUSJY-IBGZPJMESA-N 0 3 446.555 2.959 50 0 IFAAHN CCN1CCN(CCNC(=O)C2CCN(Cc3cn(C)c4ccc(Cl)cc34)CC2)CC1 ZINC000035562282 521681760 /nfs/dbraw/zinc/68/17/60/521681760.db2.gz FKGOWWZIYCAFHH-UHFFFAOYSA-N 0 3 446.039 2.797 50 0 IFAAHN CCN1CCN(Cc2ccc(OC)c(OC[C@H](O)CN(C)Cc3ccccc3)c2)CC1 ZINC000020536397 521689212 /nfs/dbraw/zinc/68/92/12/521689212.db2.gz DSODQMIMHXMCIX-HSZRJFAPSA-N 0 3 427.589 2.704 50 0 IFAAHN CN(C)CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1-c1ccco1 ZINC000015003555 521787277 /nfs/dbraw/zinc/78/72/77/521787277.db2.gz DIIQSFBAYDGZIC-UHFFFAOYSA-N 0 3 428.496 2.979 50 0 IFAAHN COc1cc(C)c(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1C ZINC000020599979 522195220 /nfs/dbraw/zinc/19/52/20/522195220.db2.gz VELXEMVVGMZOGT-UHFFFAOYSA-N 0 3 448.571 2.606 50 0 IFAAHN COc1cc(CNCCNC(=O)c2nonc2N)cc(Cl)c1OCc1ccc(C)cc1 ZINC000040744382 522450555 /nfs/dbraw/zinc/45/05/55/522450555.db2.gz GPJQVTNLGRJFPY-UHFFFAOYSA-N 0 3 445.907 2.721 50 0 IFAAHN COc1ccc(C(=O)NCCc2nnc3n2CCN(C[C@H](C)c2ccccc2)CC3)cc1 ZINC000012279628 523704652 /nfs/dbraw/zinc/70/46/52/523704652.db2.gz ZSOZCULSQJMEMD-IBGZPJMESA-N 0 3 433.556 2.921 50 0 IFAAHN COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2-n2cccn2)CC1 ZINC000012755648 523811580 /nfs/dbraw/zinc/81/15/80/523811580.db2.gz PHCSUPWJKGBPPR-NRFANRHFSA-N 0 3 426.561 2.852 50 0 IFAAHN CN1CCN(CCCNC(=O)CSc2ncnc3c2sc2cccc(F)c23)CC1 ZINC000021153409 523898048 /nfs/dbraw/zinc/89/80/48/523898048.db2.gz OHNKGDAOBXHUEV-UHFFFAOYSA-N 0 3 433.578 2.829 50 0 IFAAHN COCCNC(=O)c1ccc(OC)cc1OC1CCN([C@H](C)Cc2ccccn2)CC1 ZINC000012307072 523926685 /nfs/dbraw/zinc/92/66/85/523926685.db2.gz UCTRXWNHHRDFMK-GOSISDBHSA-N 0 3 427.545 2.941 50 0 IFAAHN COc1ccc(CN(C)Cc2ccc(C)o2)cc1OC[C@@H](O)CN1CCCN(C)CC1 ZINC000020541338 524005856 /nfs/dbraw/zinc/00/58/56/524005856.db2.gz YWTBWPNFDKRTRW-NRFANRHFSA-N 0 3 431.577 2.606 50 0 IFAAHN COc1ccc(CN(C)Cc2nonc2C)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000012439840 524007949 /nfs/dbraw/zinc/00/79/49/524007949.db2.gz WWHBQZQJNUGFEG-NRFANRHFSA-N 0 3 440.544 2.890 50 0 IFAAHN COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)c(C)c1C ZINC000020919323 524040054 /nfs/dbraw/zinc/04/00/54/524040054.db2.gz CIBXVBQCDJQJMS-SFHVURJKSA-N 0 3 441.576 2.566 50 0 IFAAHN Cc1ccc(CN2CC[C@H](CNS(=O)(=O)c3ccc(-c4ccc(=O)[nH]n4)s3)C2)cc1 ZINC000020583715 524470767 /nfs/dbraw/zinc/47/07/67/524470767.db2.gz XDDNXIJGBYLZLP-QGZVFWFLSA-N 0 3 444.582 2.607 50 0 IFAAHN Cc1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)s1 ZINC000020783734 524475552 /nfs/dbraw/zinc/47/55/52/524475552.db2.gz ZBDMGXIDEOIVCZ-UHFFFAOYSA-N 0 3 427.549 2.747 50 0 IFAAHN Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)s1 ZINC000020600673 524475761 /nfs/dbraw/zinc/47/57/61/524475761.db2.gz JCWJBFIFIDTAIE-QGZVFWFLSA-N 0 3 425.558 2.963 50 0 IFAAHN COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CNCc2cc(F)ccc2C)c1 ZINC000012591889 524972003 /nfs/dbraw/zinc/97/20/03/524972003.db2.gz CUGVICLSSMUPPG-JOCHJYFZSA-N 0 3 432.536 2.629 50 0 IFAAHN CSCCC(=O)N1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 ZINC000012204332 525368363 /nfs/dbraw/zinc/36/83/63/525368363.db2.gz YUCKIFPAYPGTDR-UHFFFAOYSA-N 0 3 427.998 2.754 50 0 IFAAHN Cc1ccccc1[C@]1(CC(=O)N(C)C2CCN(C)CC2)CC(=O)N(Cc2ccncc2)C1=O ZINC000012247720 525449332 /nfs/dbraw/zinc/44/93/32/525449332.db2.gz AOAPGZIYAHZHRA-SANMLTNESA-N 0 3 448.567 2.530 50 0 IFAAHN O=C(CC[C@@H]1CCCN(C(=O)CN2CCCCCC2)C1)N1CCN(c2ccccn2)CC1 ZINC000012094319 526554217 /nfs/dbraw/zinc/55/42/17/526554217.db2.gz WVZGCZOGPAQJRX-QFIPXVFZSA-N 0 3 441.620 2.625 50 0 IFAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000036044930 527045758 /nfs/dbraw/zinc/04/57/58/527045758.db2.gz FGBQNOJFUILOMV-CTNGQTDRSA-N 0 3 445.560 2.617 50 0 IFAAHN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CCN(c2ccncc2)CC1 ZINC000012786335 527406023 /nfs/dbraw/zinc/40/60/23/527406023.db2.gz OURIQTAGGQUIFQ-UHFFFAOYSA-N 0 3 437.550 2.930 50 0 IFAAHN COc1ccc(Cl)cc1N1CCN(Cc2cccc(C(=O)NCCN(C)C)c2)CC1 ZINC000034668210 555792396 /nfs/dbraw/zinc/79/23/96/555792396.db2.gz KIEPXKRDSGOGQM-UHFFFAOYSA-N 0 3 430.980 2.962 50 0 IFAAHN CCCn1c(=O)cc(C(C)C)c2ccc(OCC(=O)NCCCN3CCN(C)CC3)cc21 ZINC000034836228 555914212 /nfs/dbraw/zinc/91/42/12/555914212.db2.gz LFQQAIMBQAHDFU-UHFFFAOYSA-N 0 3 442.604 2.667 50 0 IFAAHN CCCn1c(=O)cc(C(C)C)c2ccc(OCC(=O)N3CCN(CCN(C)C)CC3)cc21 ZINC000034836231 555914267 /nfs/dbraw/zinc/91/42/67/555914267.db2.gz MUTSIXBKQYKSHM-UHFFFAOYSA-N 0 3 442.604 2.620 50 0 IFAAHN O[C@H](CNCCNc1nccc(C(F)(F)F)n1)COc1ccc(OC(F)(F)F)cc1 ZINC000003467472 555936017 /nfs/dbraw/zinc/93/60/17/555936017.db2.gz OSOCSYOUEXJNHU-LLVKDONJSA-N 0 3 440.344 2.835 50 0 IFAAHN COc1cc(CNCCNC(=O)c2nonc2N)cc(Cl)c1OCc1ccc(F)cc1 ZINC000009194435 556254532 /nfs/dbraw/zinc/25/45/32/556254532.db2.gz SEXDYYIFYQXHMC-UHFFFAOYSA-N 0 3 449.870 2.552 50 0 IFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000014022232 556357163 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ZINC000079096481 569325382 /nfs/dbraw/zinc/32/53/82/569325382.db2.gz PYDPXGHPUAXYGQ-GOSISDBHSA-N 0 3 433.599 2.927 50 0 IFAAHN CN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1CCN(Cc2ccncc2)CC1 ZINC000095446723 569367402 /nfs/dbraw/zinc/36/74/02/569367402.db2.gz JUGBJMQOJZXNGD-UHFFFAOYSA-N 0 3 441.601 2.656 50 0 IFAAHN C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccc(C[C@H]4NC(=O)[N-]C4=O)cc3)cc2)C1 ZINC000095456111 569368667 /nfs/dbraw/zinc/36/86/67/569368667.db2.gz ALBLZTDCLVJBTB-VGOFRKELSA-N 0 3 449.555 2.991 50 0 IFAAHN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccc(C[C@H]4NC(=O)[N-]C4=O)cc3)cc2)C1 ZINC000095456111 569368668 /nfs/dbraw/zinc/36/86/68/569368668.db2.gz ALBLZTDCLVJBTB-VGOFRKELSA-N 0 3 449.555 2.991 50 0 IFAAHN CCCCN1CCC(NS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)CC1 ZINC000095457534 569369048 /nfs/dbraw/zinc/36/90/48/569369048.db2.gz BTSVRBPAWHSOSE-UHFFFAOYSA-N 0 3 429.652 2.996 50 0 IFAAHN Cc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1S(=O)(=O)NCc1ccccc1 ZINC000095466515 569370955 /nfs/dbraw/zinc/37/09/55/569370955.db2.gz FXRJAIMDHMSBDZ-TZIWHRDSSA-N 0 3 427.570 2.640 50 0 IFAAHN O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000095478475 569373518 /nfs/dbraw/zinc/37/35/18/569373518.db2.gz UJEFBOAZDKUKRL-QFIPXVFZSA-N 0 3 434.540 2.525 50 0 IFAAHN Cn1c(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)ccc1-c1ccccc1 ZINC000670457517 569458885 /nfs/dbraw/zinc/45/88/85/569458885.db2.gz QDCKBTNSKAVFMP-PIFVYSLYSA-N 0 3 426.564 2.990 50 0 IFAAHN CCN1CCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000008345457 569462608 /nfs/dbraw/zinc/46/26/08/569462608.db2.gz FGPXMRDIQXNIPQ-NRFANRHFSA-N 0 3 429.586 2.841 50 0 IFAAHN COc1cccc(-c2cc3c(N4CCC(C(N)=O)(N5CCCCC5)CC4)nccn3n2)c1 ZINC000067284840 569466817 /nfs/dbraw/zinc/46/68/17/569466817.db2.gz WMCOLBOHHVCAND-UHFFFAOYSA-N 0 3 434.544 2.715 50 0 IFAAHN Cn1c(=O)c2c(SCCN3CCCC3)nc(-c3cccc(Cl)c3)nc2n(C)c1=O ZINC000008898699 569483983 /nfs/dbraw/zinc/48/39/83/569483983.db2.gz ZIQOJIAZZJIBJB-UHFFFAOYSA-N 0 3 431.949 2.536 50 0 IFAAHN C[C@H]1CCCCN1CCNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009276369 569518458 /nfs/dbraw/zinc/51/84/58/569518458.db2.gz PWPBOUGOPBHFPP-IBGZPJMESA-N 0 3 446.617 2.807 50 0 IFAAHN Cc1cc(C)c(OC[C@H](O)CN(CCO)C[C@H](O)Cn2ccc3ccccc32)c(C)c1 ZINC000009595103 569550680 /nfs/dbraw/zinc/55/06/80/569550680.db2.gz CQQPPAXBZHIFBR-XZOQPEGZSA-N 0 3 426.557 2.662 50 0 IFAAHN CCCCn1c(N)c(N(C(=O)CN2CCC[C@H]3CCCC[C@@H]32)C2CCCC2)c(=O)[nH]c1=O ZINC000009949537 569574269 /nfs/dbraw/zinc/57/42/69/569574269.db2.gz KNQIJHJGMGDGQA-MJGOQNOKSA-N 0 3 445.608 2.849 50 0 IFAAHN Cc1cc(C)cc(N2CCCn3c4c(nc32)n(C)c(=O)n(CCN2CCCCC2)c4=O)c1 ZINC000008708336 132291134 /nfs/dbraw/zinc/29/11/34/132291134.db2.gz AQIKDVNNABDRFJ-UHFFFAOYSA-N 0 3 436.560 2.541 50 0 IFAAHN Cc1cccc(N2CCCn3c4c(nc32)n(C)c(=O)n(CCN2CCCCC2)c4=O)c1C ZINC000009156964 132307140 /nfs/dbraw/zinc/30/71/40/132307140.db2.gz NNVFRJHMZZEJHA-UHFFFAOYSA-N 0 3 436.560 2.541 50 0 IFAAHN CN(C)CCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000009183514 132307487 /nfs/dbraw/zinc/30/74/87/132307487.db2.gz BOFYKUOKUBGXQT-UHFFFAOYSA-N 0 3 442.589 2.901 50 0 IFAAHN CCCCN[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000012549164 520696040 /nfs/dbraw/zinc/69/60/40/520696040.db2.gz UQGGUKNWJRSDIW-OAQYLSRUSA-N 0 3 431.558 2.777 50 0 IFAAHN CCN1CCC[C@@H]1CNC(=O)CN1c2ccccc2N(C(=O)Nc2ccc(C)cc2)CC1=O ZINC000021943366 521634013 /nfs/dbraw/zinc/63/40/13/521634013.db2.gz RMUVUVISQJRAJE-HXUWFJFHSA-N 0 3 449.555 2.981 50 0 IFAAHN CCN1CCN(Cc2ccc(NC(=O)Cn3ncc4c5ccccc5[nH]c4c3=O)cc2)CC1 ZINC000020557185 521687623 /nfs/dbraw/zinc/68/76/23/521687623.db2.gz YDUSIAWECPREPH-UHFFFAOYSA-N 0 3 444.539 2.654 50 0 IFAAHN CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)NCCCN(C)Cc3ccccc3)n2C)c1 ZINC000035561182 521993914 /nfs/dbraw/zinc/99/39/14/521993914.db2.gz AUWLAYOJCOATBE-UHFFFAOYSA-N 0 3 442.585 2.681 50 0 IFAAHN COc1cc(CNCCNC(=O)c2nonc2N)cc(Cl)c1OCc1cccc(C)c1 ZINC000040744534 522450318 /nfs/dbraw/zinc/45/03/18/522450318.db2.gz LLCKUMGQLHBOLD-UHFFFAOYSA-N 0 3 445.907 2.721 50 0 IFAAHN CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCCN(Cc2ccccc2)CC1 ZINC000022807083 522518035 /nfs/dbraw/zinc/51/80/35/522518035.db2.gz RGTPWQGMYSKZFM-UHFFFAOYSA-N 0 3 428.964 2.945 50 0 IFAAHN CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CN1CCOC1=O ZINC000012715361 522659795 /nfs/dbraw/zinc/65/97/95/522659795.db2.gz HBQSWTGTZSZMGT-UHFFFAOYSA-N 0 3 427.467 2.871 50 0 IFAAHN COc1cc(OC)c(OC)cc1CN1CCCC[C@H]1CCn1cc(C(=O)NC(C)C)nn1 ZINC000012190290 522819949 /nfs/dbraw/zinc/81/99/49/522819949.db2.gz OTJLIYQDVVVOQG-SFHVURJKSA-N 0 3 445.564 2.887 50 0 IFAAHN CN(CCNC(=O)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000035562488 522864403 /nfs/dbraw/zinc/86/44/03/522864403.db2.gz QLIFSNBXWLSAHA-UHFFFAOYSA-N 0 3 440.953 2.691 50 0 IFAAHN CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1ccc(Cn2cnnn2)cc1 ZINC000012439632 523116352 /nfs/dbraw/zinc/11/63/52/523116352.db2.gz ZNHWEYPVNUKNFX-HXUWFJFHSA-N 0 3 436.535 2.887 50 0 IFAAHN CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCN4CCCCC4)C3)ccc21 ZINC000021937989 523496858 /nfs/dbraw/zinc/49/68/58/523496858.db2.gz WXAIMQNIIPHCQD-FQEVSTJZSA-N 0 3 446.617 2.664 50 0 IFAAHN CN1CCN(CCCNC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)CC1 ZINC000021915636 523896674 /nfs/dbraw/zinc/89/66/74/523896674.db2.gz YICVLXOOZLGUHM-UHFFFAOYSA-N 0 3 435.528 2.536 50 0 IFAAHN COc1ccc(CNCc2ccc(Cl)s2)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000022852381 524073009 /nfs/dbraw/zinc/07/30/09/524073009.db2.gz CYXFQYPLKDCLGW-QGZVFWFLSA-N 0 3 440.009 2.687 50 0 IFAAHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1 ZINC000035423396 524112575 /nfs/dbraw/zinc/11/25/75/524112575.db2.gz KXXLUSIGEGLTKZ-QGZVFWFLSA-N 0 3 433.512 2.895 50 0 IFAAHN COc1ccccc1CNCc1ccc(OC[C@@H](O)CN2CCSCC2)c(OC)c1 ZINC000012315812 524488053 /nfs/dbraw/zinc/48/80/53/524488053.db2.gz MJMQSHFNXXVEOG-FQEVSTJZSA-N 0 3 432.586 2.782 50 0 IFAAHN Cc1cc(C)n(CC(=O)N(CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)n1 ZINC000012386259 524502106 /nfs/dbraw/zinc/50/21/06/524502106.db2.gz YCZHCZHQLUGDBL-OAQYLSRUSA-N 0 3 429.584 2.941 50 0 IFAAHN Cc1ccc(N2C(=O)N(CC(=O)NC3CCN(Cc4ccccc4)CC3)C(=O)[C@@H]2C)cc1 ZINC000012785025 524925135 /nfs/dbraw/zinc/92/51/35/524925135.db2.gz BEEUKWGDVLWDNH-IBGZPJMESA-N 0 3 434.540 2.933 50 0 IFAAHN COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CN(C)Cc2ccc(F)cc2)c1 ZINC000012455499 524968557 /nfs/dbraw/zinc/96/85/57/524968557.db2.gz LNZLVUOBUIMFHK-QFIPXVFZSA-N 0 3 432.536 2.663 50 0 IFAAHN Cc1cc(=O)c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c(CCc2ccccc2)n1CCN(C)C ZINC000012509312 526128822 /nfs/dbraw/zinc/12/88/22/526128822.db2.gz UKUSDUSZFZBUSE-BGYRXZFFSA-N 0 3 425.573 2.753 50 0 IFAAHN O=C(NCCc1nnc2n1CCN(Cc1ccc3ccccc3c1)CC2)C1CCOCC1 ZINC000020774368 526465601 /nfs/dbraw/zinc/46/56/01/526465601.db2.gz LSOXIIJEPFFBSO-UHFFFAOYSA-N 0 3 433.556 2.575 50 0 IFAAHN O=C(NC1CCN(C2CC2)CC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000012768873 527524949 /nfs/dbraw/zinc/52/49/49/527524949.db2.gz BGBJHDGMCZLYHX-UHFFFAOYSA-N 0 3 445.629 2.709 50 0 IFAAHN CCN1CCC[C@H]1CNCC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000022922112 556340956 /nfs/dbraw/zinc/34/09/56/556340956.db2.gz LMYJAEMXJWUBOW-FQEVSTJZSA-N 0 3 430.574 2.524 50 0 IFAAHN COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc3ncccc3c1)CC2 ZINC000011786987 556353882 /nfs/dbraw/zinc/35/38/82/556353882.db2.gz JVQXWUFRTKCKGY-NRFANRHFSA-N 0 3 436.560 2.734 50 0 IFAAHN Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)NCCN(C)C)N(Cc3cccc(F)c3)C2)n1 ZINC000011983325 556383885 /nfs/dbraw/zinc/38/38/85/556383885.db2.gz MBERJIVROCQVSQ-UXHICEINSA-N 0 3 431.581 2.646 50 0 IFAAHN O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccncc2)C1 ZINC000014731489 556436793 /nfs/dbraw/zinc/43/67/93/556436793.db2.gz NFKGUNYLCMLCRM-VQTJNVASSA-N 0 3 437.519 2.820 50 0 IFAAHN O=C(NCCc1cnc[nH]1)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccncc2)C1 ZINC000014731489 556436794 /nfs/dbraw/zinc/43/67/94/556436794.db2.gz NFKGUNYLCMLCRM-VQTJNVASSA-N 0 3 437.519 2.820 50 0 IFAAHN CC(C)(C)c1ccc(CN[C@H]2C[C@H]3C(=O)N[C@@H](COCc4ccccc4)C(=O)N3C2)cc1 ZINC000014744388 556440454 /nfs/dbraw/zinc/44/04/54/556440454.db2.gz JCUWRQANKZIEEA-VABKMULXSA-N 0 3 435.568 2.758 50 0 IFAAHN CN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2 ZINC000014752661 556444057 /nfs/dbraw/zinc/44/40/57/556444057.db2.gz DIIZYHICJUGFAU-UHFFFAOYSA-N 0 3 435.524 2.929 50 0 IFAAHN COc1ccc(CN2CCC3(CC[C@@H](CNC(=O)[C@H]4CCCO4)O3)CC2)c(OC)c1C ZINC000014883588 556454777 /nfs/dbraw/zinc/45/47/77/556454777.db2.gz ADYCOUFTJMAKOC-PZJWPPBQSA-N 0 3 432.561 2.821 50 0 IFAAHN O=C(NC[C@@H]1CCC2(CCN(Cc3ccc4nsnc4c3)CC2)O1)C1CCOCC1 ZINC000014888904 556456262 /nfs/dbraw/zinc/45/62/62/556456262.db2.gz GFJATGMDYYYFLA-SFHVURJKSA-N 0 3 430.574 2.748 50 0 IFAAHN COc1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1S(=O)(=O)N1CCCC1 ZINC000013096775 556457575 /nfs/dbraw/zinc/45/75/75/556457575.db2.gz ANFFDMPBAPNZEO-LJQANCHMSA-N 0 3 431.558 2.512 50 0 IFAAHN COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc4cccnc4c2)CC3)o1 ZINC000014999991 556479419 /nfs/dbraw/zinc/47/94/19/556479419.db2.gz CHESJNXBFMHMAB-UHFFFAOYSA-N 0 3 446.511 2.554 50 0 IFAAHN O[C@@H](COCc1ccco1)CN(Cc1ccc(F)cc1)C[C@H](O)COCc1ccco1 ZINC000013149396 556491011 /nfs/dbraw/zinc/49/10/11/556491011.db2.gz UCWAFPKSDIPGHA-OYRHEFFESA-N 0 3 433.476 2.969 50 0 IFAAHN Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000033318394 556560825 /nfs/dbraw/zinc/56/08/25/556560825.db2.gz MRSDCCWSNYPFKY-UHFFFAOYSA-N 0 3 435.981 2.940 50 0 IFAAHN COc1cccc(CNCCCN2CCOCC2)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040720073 556645637 /nfs/dbraw/zinc/64/56/37/556645637.db2.gz OTMCIXKINPBDBB-UHFFFAOYSA-N 0 3 427.545 2.833 50 0 IFAAHN Cn1c2ccc([C@H](O)COc3ccc(CNC[C@@H](O)c4ccccc4)cc3)cc2n(C)c1=O ZINC000040722017 556647883 /nfs/dbraw/zinc/64/78/83/556647883.db2.gz MBHLQFCSGCUVLA-JWQCQUIFSA-N 0 3 447.535 2.813 50 0 IFAAHN Cc1ccc(NC(=O)COc2ccc(Br)cc2CNCCOCCO)cc1 ZINC000040740012 556651448 /nfs/dbraw/zinc/65/14/48/556651448.db2.gz NMWORTNGUOVDML-UHFFFAOYSA-N 0 3 437.334 2.874 50 0 IFAAHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000044910463 556680714 /nfs/dbraw/zinc/68/07/14/556680714.db2.gz NPAJMXBAYRLOLH-UHFFFAOYSA-N 0 3 441.597 2.740 50 0 IFAAHN Cc1ccccc1OCc1nnc(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)s1 ZINC000033028021 556708365 /nfs/dbraw/zinc/70/83/65/556708365.db2.gz RYGKBHYGSHYOIV-UHFFFAOYSA-N 0 3 439.541 2.969 50 0 IFAAHN O=C(Nc1cc(F)c(F)c(F)c1)C1CC(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000061718272 556724604 /nfs/dbraw/zinc/72/46/04/556724604.db2.gz DJLOAKQZFJRAHW-GFCCVEGCSA-N 0 3 444.369 2.716 50 0 IFAAHN CC(C)C[C@@H](CNC(=O)Nc1ccc(N2CCCN(C)CC2)c(F)c1)N1CCOCC1 ZINC000058265332 556776375 /nfs/dbraw/zinc/77/63/75/556776375.db2.gz BEFQYKLDDXKGGU-FQEVSTJZSA-N 0 3 435.588 2.836 50 0 IFAAHN Cc1nc2ccccc2nc1CS(=O)(=O)C(C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000058379656 556784280 /nfs/dbraw/zinc/78/42/80/556784280.db2.gz AENUCVWCEXPYEQ-RDJZCZTQSA-N 0 3 425.510 2.882 50 0 IFAAHN CNS(=O)(=O)c1cccc(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000059332585 556798005 /nfs/dbraw/zinc/79/80/05/556798005.db2.gz WKDQTQJGMAYBJM-OAQYLSRUSA-N 0 3 429.586 2.798 50 0 IFAAHN O=C(CN1CCC(CN2CCOCC2)CC1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000062581711 556837946 /nfs/dbraw/zinc/83/79/46/556837946.db2.gz RZSOWJKLDOUWFP-HSZRJFAPSA-N 0 3 449.039 2.637 50 0 IFAAHN CSc1cccc(NC(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)c1 ZINC000067602001 556843363 /nfs/dbraw/zinc/84/33/63/556843363.db2.gz KUPDSTLPWOTVMJ-UHFFFAOYSA-N 0 3 441.605 2.613 50 0 IFAAHN O=C(c1nc2ccc(Cl)cn2c1CNCCN1CCC[C@H](O)C1)N1CCCCCCC1 ZINC000019744423 556890840 /nfs/dbraw/zinc/89/08/40/556890840.db2.gz ZQAMWYQFSVQPLQ-IBGZPJMESA-N 0 3 448.011 2.940 50 0 IFAAHN Cc1ccc(CN2CCC(CNC(=O)C3CCN(c4ccc5nncn5n4)CC3)CC2)cc1 ZINC000033260451 556897063 /nfs/dbraw/zinc/89/70/63/556897063.db2.gz FSIXKNKVBWJUTI-UHFFFAOYSA-N 0 3 447.587 2.678 50 0 IFAAHN O=C(CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000019817566 556920506 /nfs/dbraw/zinc/92/05/06/556920506.db2.gz LGMMLZHDHGLVGR-QAPCUYQASA-N 0 3 434.452 2.861 50 0 IFAAHN COc1ccccc1N1CCN([C@H]2CCCN(Cc3ccccc3OCCO)C2)CC1 ZINC000019841595 556929738 /nfs/dbraw/zinc/92/97/38/556929738.db2.gz MOLRVHFTZQILKH-QFIPXVFZSA-N 0 3 425.573 2.853 50 0 IFAAHN COc1ccc(C(=O)N2CCC(Oc3ccc(C(=O)NCCN(C)C)cc3Cl)CC2)o1 ZINC000020202753 556997886 /nfs/dbraw/zinc/99/78/86/556997886.db2.gz WGZHHZLMSFOIII-UHFFFAOYSA-N 0 3 449.935 2.917 50 0 IFAAHN CN1CCC(CN(CCc2ccccc2)C(=O)[C@H](c2cccnc2)N2CCOCC2)CC1 ZINC000020204556 556997897 /nfs/dbraw/zinc/99/78/97/556997897.db2.gz UAWZSYPENMQHLR-VWLOTQADSA-N 0 3 436.600 2.868 50 0 IFAAHN CN1CCCN(C(=O)c2nc3sccn3c2CNC[C@@H]2OCCc3ccccc32)CC1 ZINC000020211380 556998723 /nfs/dbraw/zinc/99/87/23/556998723.db2.gz PECNFCSSJSAMGW-FQEVSTJZSA-N 0 3 439.585 2.577 50 0 IFAAHN CCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(CC)cc2)ccc1N1CC[NH2+]CC1 ZINC000033275430 557054449 /nfs/dbraw/zinc/05/44/49/557054449.db2.gz PKKAQQWGVFKXGY-UHFFFAOYSA-N 0 3 430.574 2.599 50 0 IFAAHN CCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)ccc1N1CC[NH2+]CC1 ZINC000033275425 557054534 /nfs/dbraw/zinc/05/45/34/557054534.db2.gz BRUPJMCAVCBSHK-UHFFFAOYSA-N 0 3 430.574 2.770 50 0 IFAAHN O=C(NCc1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2)[C@@H]1CCOC1 ZINC000023129082 557066402 /nfs/dbraw/zinc/06/64/02/557066402.db2.gz NHHBVLYHMUBVMY-JOCHJYFZSA-N 0 3 431.540 2.656 50 0 IFAAHN Cc1ccc(CN2CCc3ncn(CC(=O)NCc4ccc(F)cc4F)c(=O)c3C2)cc1 ZINC000049400917 557096605 /nfs/dbraw/zinc/09/66/05/557096605.db2.gz ABNIDCXKNWWRAL-UHFFFAOYSA-N 0 3 438.478 2.705 50 0 IFAAHN C[C@@H]1CCCCN1CCNC(=O)CN1CCc2ccccc2[C@@H]1C(=O)N1CCCCC1 ZINC000033312823 557097241 /nfs/dbraw/zinc/09/72/41/557097241.db2.gz KUKJTSMSPFATRG-HYBUGGRVSA-N 0 3 426.605 2.589 50 0 IFAAHN CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCCCC1 ZINC000017792955 557122978 /nfs/dbraw/zinc/12/29/78/557122978.db2.gz YFJAZUQYGBMPLR-UHFFFAOYSA-N 0 3 447.645 2.957 50 0 IFAAHN CC(=O)c1ccc(N2CCN(CC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)c(F)c1 ZINC000024752772 557133499 /nfs/dbraw/zinc/13/34/99/557133499.db2.gz RMQHSVREEPYWBG-JOCHJYFZSA-N 0 3 438.547 2.541 50 0 IFAAHN COc1cccc(-c2cc(C(=O)N(CC(=O)NCCN(C)C)Cc3ccccc3)no2)c1 ZINC000096210438 557182959 /nfs/dbraw/zinc/18/29/59/557182959.db2.gz MUAORSIRZQNGTG-UHFFFAOYSA-N 0 3 436.512 2.670 50 0 IFAAHN CCN1CCN(c2cc(C)nc(SCc3cccc(C(=O)NCCN(C)C)c3)n2)CC1 ZINC000096280111 557193973 /nfs/dbraw/zinc/19/39/73/557193973.db2.gz SZJCTEQEWGJOCP-UHFFFAOYSA-N 0 3 442.633 2.511 50 0 IFAAHN O=C1C[C@H](NCCCN2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000101163674 557284202 /nfs/dbraw/zinc/28/42/02/557284202.db2.gz AMGBDWDUFPVZLA-NRFANRHFSA-N 0 3 444.938 2.913 50 0 IFAAHN CCN1CCN(c2ccc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2C)CC1 ZINC000102120172 557312446 /nfs/dbraw/zinc/31/24/46/557312446.db2.gz DVEFCAILRAQDFB-WOJBJXKFSA-N 0 3 426.561 2.641 50 0 IFAAHN CCCN1CCN(c2ccc(NC(=O)[C@@H](C)NC(=O)c3ccoc3)c(OCC)c2)CC1 ZINC000225555814 557741906 /nfs/dbraw/zinc/74/19/06/557741906.db2.gz XWHDPRXJLPPXQN-QGZVFWFLSA-N 0 3 428.533 2.967 50 0 IFAAHN CN(C)CC(=O)Nc1cccc(CN[C@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000225632400 557754632 /nfs/dbraw/zinc/75/46/32/557754632.db2.gz CDEBJPITIWHFOU-IFMALSPDSA-N 0 3 446.592 2.691 50 0 IFAAHN CS(=O)(=O)N1C[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)C2(C1)CCCCC2 ZINC000096309572 557776568 /nfs/dbraw/zinc/77/65/68/557776568.db2.gz BXDPKRGBVBJEKD-OAQYLSRUSA-N 0 3 433.618 2.609 50 0 IFAAHN CC(C)N(CCNS(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C(C)C ZINC000240333504 557845245 /nfs/dbraw/zinc/84/52/45/557845245.db2.gz FDRGRBVDYWWUNQ-FQEVSTJZSA-N 0 3 425.595 2.683 50 0 IFAAHN COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCCCN3CCCC3)c(C)o2)cc1OC ZINC000004079694 562941620 /nfs/dbraw/zinc/94/16/20/562941620.db2.gz HTZDZRCLILGQEB-HKBQPEDESA-N 0 3 449.573 2.518 50 0 IFAAHN CCN1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cc2)CC1 ZINC000008861428 562965530 /nfs/dbraw/zinc/96/55/30/562965530.db2.gz OHOFPXJDHZHBPY-UHFFFAOYSA-N 0 3 442.585 2.865 50 0 IFAAHN COc1ccc(OC)c(Cc2nnc(CCC(=O)N3CCN(C4CCCC4)CC3)o2)c1 ZINC000023338492 563027142 /nfs/dbraw/zinc/02/71/42/563027142.db2.gz ZMSXNWFDMPJMFT-UHFFFAOYSA-N 0 3 428.533 2.697 50 0 IFAAHN CN(C)Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000015140427 568690421 /nfs/dbraw/zinc/69/04/21/568690421.db2.gz HJISZMWZXGUKOL-UHFFFAOYSA-N 0 3 427.526 2.750 50 0 IFAAHN CN(C[C@H]1CCCCN1C)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O ZINC000299761086 568755672 /nfs/dbraw/zinc/75/56/72/568755672.db2.gz RALZBRCSGHYPSD-ATIYNZHBSA-N 0 3 448.567 2.611 50 0 IFAAHN O=C(CCN1CCC(NS(=O)(=O)c2ccccc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000084558671 568798809 /nfs/dbraw/zinc/79/88/09/568798809.db2.gz FPNBVTSWLJLKBR-UHFFFAOYSA-N 0 3 427.570 2.947 50 0 IFAAHN Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000015727788 568812865 /nfs/dbraw/zinc/81/28/65/568812865.db2.gz BXMJJEIGANIHTP-UHFFFAOYSA-N 0 3 439.516 2.697 50 0 IFAAHN Cn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCN4CCCCCC4)C3)ccc21 ZINC000015784485 568829346 /nfs/dbraw/zinc/82/93/46/568829346.db2.gz FSYFWTYOIPAHKN-FQEVSTJZSA-N 0 3 446.617 2.571 50 0 IFAAHN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C(C)C)N[C@@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000015957075 568859974 /nfs/dbraw/zinc/85/99/74/568859974.db2.gz YRMOPAGMKRTMFB-JJEXOMBSSA-N 0 3 447.535 2.889 50 0 IFAAHN CC1CCN(C2=CC(=O)N(c3ccc(C(=O)NCCN4CCCC[C@H]4C)cc3)C2=O)CC1 ZINC000064567214 568933413 /nfs/dbraw/zinc/93/34/13/568933413.db2.gz AEERFANHNQXOAF-LJQANCHMSA-N 0 3 438.572 2.780 50 0 IFAAHN CN(C)CCNC(=O)CN(C)c1nn2c(nc(-c3ccc(F)cc3)c2NC(C)(C)C)s1 ZINC000064703837 568944529 /nfs/dbraw/zinc/94/45/29/568944529.db2.gz GPLXSXPKHKQUSH-UHFFFAOYSA-N 0 3 447.584 2.921 50 0 IFAAHN CN(C)CCNC(=O)CN(C)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1 ZINC000064704189 568944538 /nfs/dbraw/zinc/94/45/38/568944538.db2.gz FCSMSSSDPHJZER-UHFFFAOYSA-N 0 3 447.584 2.921 50 0 IFAAHN CC1CCN(C(=O)c2cc(NC(=O)c3ccccc3F)cnc2N2CCNCC2)CC1 ZINC000065025350 569090639 /nfs/dbraw/zinc/09/06/39/569090639.db2.gz GCQQNFYZKNGJAV-UHFFFAOYSA-N 0 3 425.508 2.755 50 0 IFAAHN Cn1cc(CN2CCC(C(=O)NCCCN3CCOCC3)CC2)c2cc(Cl)ccc21 ZINC000065060067 569095768 /nfs/dbraw/zinc/09/57/68/569095768.db2.gz RPZNUNZXKLWLHC-UHFFFAOYSA-N 0 3 432.996 2.882 50 0 IFAAHN C[C@@H](C(=O)NCCN1CCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062295 569097506 /nfs/dbraw/zinc/09/75/06/569097506.db2.gz CBLCOIJASUIFLJ-CQSZACIVSA-N 0 3 434.027 2.650 50 0 IFAAHN Cc1cccc(S(=O)(=O)N2CCc3c2cccc3C(=O)NCCN2CCCCC2)c1 ZINC000065210190 569116289 /nfs/dbraw/zinc/11/62/89/569116289.db2.gz JEQCZPMWJVWDII-UHFFFAOYSA-N 0 3 427.570 2.962 50 0 IFAAHN CCOC(=O)N1CCC(NC(=O)c2cccnc2N2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000065255831 569123059 /nfs/dbraw/zinc/12/30/59/569123059.db2.gz QRRTWMZFJCURCS-OAQYLSRUSA-N 0 3 437.544 2.583 50 0 IFAAHN CCOC(=O)N1CCC(NC(=O)c2ccc(N3CCN[C@H](c4ccccc4)C3)nc2)CC1 ZINC000065256162 569123214 /nfs/dbraw/zinc/12/32/14/569123214.db2.gz XQVQERBCFIERCF-NRFANRHFSA-N 0 3 437.544 2.583 50 0 IFAAHN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1ccc(OCCN(C)C)cc1)C=C2 ZINC000524730176 569125923 /nfs/dbraw/zinc/12/59/23/569125923.db2.gz YMLSFIJCERLDTO-UHFFFAOYSA-N 0 3 439.512 2.638 50 0 IFAAHN CN(C)C[C@H](CNC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)[C@@H](O)c1ccccc1 ZINC000065491281 569138745 /nfs/dbraw/zinc/13/87/45/569138745.db2.gz SRMYXPRXYVKNIU-XOBRGWDASA-N 0 3 432.908 2.704 50 0 IFAAHN COc1ccc(C(=O)N(C)CCN(C)C2CC2)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000170598370 569142253 /nfs/dbraw/zinc/14/22/53/569142253.db2.gz YTYHGMANRURMIF-CALCHBBNSA-N 0 3 437.606 2.528 50 0 IFAAHN CN(C)[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000010025210 569151508 /nfs/dbraw/zinc/15/15/08/569151508.db2.gz PNDFZYAZNJWHEM-JOCHJYFZSA-N 0 3 425.554 2.879 50 0 IFAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000250641347 569157249 /nfs/dbraw/zinc/15/72/49/569157249.db2.gz FGBQNOJFUILOMV-FPOVZHCZSA-N 0 3 445.560 2.617 50 0 IFAAHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCOCC2)C1 ZINC000252550654 569191080 /nfs/dbraw/zinc/19/10/80/569191080.db2.gz SWQLGKBVXBXXBE-CTNGQTDRSA-N 0 3 446.592 2.682 50 0 IFAAHN COc1ccccc1Oc1cnn(C)c(=O)c1Nc1cccc(C(=O)NCCN(C)C)c1 ZINC000037477743 569197432 /nfs/dbraw/zinc/19/74/32/569197432.db2.gz UZBZRAXVWMYFPH-UHFFFAOYSA-N 0 3 437.500 2.616 50 0 IFAAHN CC(C)(C)NC(=O)NC1CCN(c2ccccc2C(=O)NCCN2CCCCC2)CC1 ZINC000037525367 569199001 /nfs/dbraw/zinc/19/90/01/569199001.db2.gz OPZXIUSFBPUPLQ-UHFFFAOYSA-N 0 3 429.609 2.969 50 0 IFAAHN Cn1c2ccccc2c2cnn(CC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)c21 ZINC000008932969 569292603 /nfs/dbraw/zinc/29/26/03/569292603.db2.gz HRUHCJQPJVKJHH-UHFFFAOYSA-N 0 3 429.524 2.669 50 0 IFAAHN C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1F ZINC000079054124 569323495 /nfs/dbraw/zinc/32/34/95/569323495.db2.gz WGXOMGVFFROYDG-JXFKEZNVSA-N 0 3 433.549 2.716 50 0 IFAAHN C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1F ZINC000079054124 569323497 /nfs/dbraw/zinc/32/34/97/569323497.db2.gz WGXOMGVFFROYDG-JXFKEZNVSA-N 0 3 433.549 2.716 50 0 IFAAHN COc1ccccc1N1CCN(Cc2c(O)c(=O)cc(CN3CCCCCC3)n2C)CC1 ZINC000079489053 569331291 /nfs/dbraw/zinc/33/12/91/569331291.db2.gz IOKVREVXTILJBP-UHFFFAOYSA-N 0 3 440.588 2.798 50 0 IFAAHN CCN1CCC[C@H]1CNC(=O)Cn1ncc2c(C)n(Cc3ccccc3F)c(C)c2c1=O ZINC000020417523 569365041 /nfs/dbraw/zinc/36/50/41/569365041.db2.gz KEVUAKOVBPWMON-IBGZPJMESA-N 0 3 439.535 2.603 50 0 IFAAHN C[C@H](C(=O)Nc1ccc(OC2CCN(C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000095482552 569374502 /nfs/dbraw/zinc/37/45/02/569374502.db2.gz CMPNVSPWUSWUOX-QGZVFWFLSA-N 0 3 431.558 2.953 50 0 IFAAHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CC[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000095943596 569375696 /nfs/dbraw/zinc/37/56/96/569375696.db2.gz WAVPTRYWKSAIBB-FQEVSTJZSA-N 0 3 445.610 2.857 50 0 IFAAHN O=C(N[C@@H](CCO)c1ccccc1Br)c1cnn(CCN2CCCCC2)c1 ZINC000096006457 569379342 /nfs/dbraw/zinc/37/93/42/569379342.db2.gz XOAGCLLUADNHDZ-IBGZPJMESA-N 0 3 435.366 2.985 50 0 IFAAHN Cc1ccc(-c2cc3c4nnc(CCC(=O)NCCN5CCCC5)n4ccn3n2)cc1C ZINC000096322349 569394600 /nfs/dbraw/zinc/39/46/00/569394600.db2.gz YGLPYRAJMOJVLF-UHFFFAOYSA-N 0 3 431.544 2.805 50 0 IFAAHN CNS(=O)(=O)c1ccc(CCC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc1 ZINC000058108602 569447561 /nfs/dbraw/zinc/44/75/61/569447561.db2.gz YRZOLVNRTJRXNQ-JOCHJYFZSA-N 0 3 429.586 2.789 50 0 IFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008381181 569462643 /nfs/dbraw/zinc/46/26/43/569462643.db2.gz UFISRXMREFIXBK-UHFFFAOYSA-N 0 3 427.570 2.866 50 0 IFAAHN CCc1cccc2c(C(=O)C(c3ccccc3)n3cnc4c3c(=O)n(C)c(=O)n4C)c[nH]c21 ZINC000008719962 569471524 /nfs/dbraw/zinc/47/15/24/569471524.db2.gz GZKFFMLPUJTUSA-HXUWFJFHSA-N 0 3 441.491 2.950 50 0 IFAAHN CN(CCN1CCCC1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000039461628 569481568 /nfs/dbraw/zinc/48/15/68/569481568.db2.gz OEOJWRQLJCASMH-DEOSSOPVSA-N 0 3 434.584 2.598 50 0 IFAAHN Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H](c2cccs2)N2CCCC2)c(C)c1 ZINC000039976202 569482222 /nfs/dbraw/zinc/48/22/22/569482222.db2.gz ORNWIMSTRAAGHR-SFHVURJKSA-N 0 3 435.615 2.987 50 0 IFAAHN CCN1CCN(c2ccc(NC(=O)Cc3[nH]c(C(C)=O)c(C)c3C(=O)OC)cc2)CC1 ZINC000039984910 569482290 /nfs/dbraw/zinc/48/22/90/569482290.db2.gz XKKYGPCENBABDQ-UHFFFAOYSA-N 0 3 426.517 2.635 50 0 IFAAHN CN1CCN(CCCNC(=O)c2nc(N3CCCC3)ncc2Cl)[C@H](c2ccccc2)C1 ZINC000040138896 569490748 /nfs/dbraw/zinc/49/07/48/569490748.db2.gz ODUWBHODAFGELK-FQEVSTJZSA-N 0 3 442.995 2.839 50 0 IFAAHN CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2c(C(=O)OC)[nH]c3cccc(OC)c32)C1 ZINC000008968775 569491818 /nfs/dbraw/zinc/49/18/18/569491818.db2.gz FEEPHMIJCOVPOU-AWEZNQCLSA-N 0 3 431.489 2.567 50 0 IFAAHN CCn1c(=O)[n-]c(=O)c2c(C(=O)NCCCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc(C(C)C)nc21 ZINC000040146757 569492340 /nfs/dbraw/zinc/49/23/40/569492340.db2.gz BDONJYRNUMUOSU-CALCHBBNSA-N 0 3 443.592 2.716 50 0 IFAAHN CCn1c(=O)[n-]c(=O)c2c(C(=O)NCCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc(C(C)C)nc21 ZINC000040146757 569492341 /nfs/dbraw/zinc/49/23/41/569492341.db2.gz BDONJYRNUMUOSU-CALCHBBNSA-N 0 3 443.592 2.716 50 0 IFAAHN CCOc1ccc(-c2nc(SCCN(CC)CC)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000009517536 569543608 /nfs/dbraw/zinc/54/36/08/569543608.db2.gz FUZDLLZIWZYVTK-UHFFFAOYSA-N 0 3 443.573 2.527 50 0 IFAAHN Cc1cc(C)c(OC[C@@H](O)CN(CCO)C[C@H](O)Cn2ccc3ccccc32)c(C)c1 ZINC000009595100 569550704 /nfs/dbraw/zinc/55/07/04/569550704.db2.gz CQQPPAXBZHIFBR-GOTSBHOMSA-N 0 3 426.557 2.662 50 0 IFAAHN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000009778832 569567356 /nfs/dbraw/zinc/56/73/56/569567356.db2.gz GUCCOZIYITYYCT-JOCHJYFZSA-N 0 3 441.597 2.794 50 0 IFAAHN CC(C)Cc1ccc(CN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1 ZINC000020600817 519438206 /nfs/dbraw/zinc/43/82/06/519438206.db2.gz UCSRESDSMBLWFB-UHFFFAOYSA-N 0 3 432.572 2.902 50 0 IFAAHN CC(C)Cn1c2c(nc1N1CCN(Cc3cccc4ccccc43)CC1)n(C)c(=O)[nH]c2=O ZINC000020565829 519489739 /nfs/dbraw/zinc/48/97/39/519489739.db2.gz YIGRMOXLRFETAJ-UHFFFAOYSA-N 0 3 446.555 2.555 50 0 IFAAHN CCCN1CCN(CCCNC(=O)c2ccccc2NC(=O)C2=C(C)OCCS2)CC1 ZINC000020919180 519858129 /nfs/dbraw/zinc/85/81/29/519858129.db2.gz HUGMLOZKNZFGBO-UHFFFAOYSA-N 0 3 446.617 2.768 50 0 IFAAHN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)C[C@@H]2CN(C)CCN2C)CC1 ZINC000022892453 520457922 /nfs/dbraw/zinc/45/79/22/520457922.db2.gz XYEVPSAARMLIEA-JOCHJYFZSA-N 0 3 429.605 2.817 50 0 IFAAHN CCOC(=O)c1cnn(-c2ccc(C(=O)NCCCN(C)Cc3ccccc3)cc2)c1N ZINC000021652056 521579107 /nfs/dbraw/zinc/57/91/07/521579107.db2.gz UQZSJCVGOKNPEW-UHFFFAOYSA-N 0 3 435.528 2.883 50 0 IFAAHN CCN1CCC[C@@H]1CNCC(=O)Nc1ccccc1C(=O)NCCc1ccc(OC)cc1 ZINC000022789167 521639238 /nfs/dbraw/zinc/63/92/38/521639238.db2.gz JJVPBUWBSQAWCV-HXUWFJFHSA-N 0 3 438.572 2.680 50 0 IFAAHN CCN1CCN(CCCNC(=O)c2ccc(C[S@](=O)c3ccccc3Cl)o2)CC1 ZINC000020514718 521681145 /nfs/dbraw/zinc/68/11/45/521681145.db2.gz HJNIJTOQLROGPR-GDLZYMKVSA-N 0 3 437.993 2.998 50 0 IFAAHN COC(=O)c1cnn(-c2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)c1N ZINC000021652328 522350928 /nfs/dbraw/zinc/35/09/28/522350928.db2.gz NRPCINBGAQPQRC-UHFFFAOYSA-N 0 3 433.512 2.636 50 0 IFAAHN COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cc(C)c(OC)cc1C)CC2 ZINC000020786100 522778505 /nfs/dbraw/zinc/77/85/05/522778505.db2.gz XMCXPJUZBLEMJC-HXUWFJFHSA-N 0 3 443.592 2.812 50 0 IFAAHN COC(=O)C1=C(CNCCc2ccc(OC)c(OC)c2)NC(=O)N[C@@H]1c1ccccc1C ZINC000012463038 522890422 /nfs/dbraw/zinc/89/04/22/522890422.db2.gz UYJQNANPEPPCGH-JOCHJYFZSA-N 0 3 439.512 2.626 50 0 IFAAHN COCc1ccc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000020920856 522972242 /nfs/dbraw/zinc/97/22/42/522972242.db2.gz ZZJXUSLUSHXXLZ-HXUWFJFHSA-N 0 3 427.545 2.937 50 0 IFAAHN COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2cc(-c3ccc(C)o3)n[n-]2)CC1 ZINC000012300442 523811901 /nfs/dbraw/zinc/81/19/01/523811901.db2.gz JOBMYKJLDGPOTK-LJQANCHMSA-N 0 3 430.549 2.958 50 0 IFAAHN CN1CCN(C2(CNC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)CCCCC2)CC1 ZINC000020676606 523890502 /nfs/dbraw/zinc/89/05/02/523890502.db2.gz ICMSONGRUQVEGD-SFHVURJKSA-N 0 3 432.996 2.759 50 0 IFAAHN COCCNC(=O)c1ccc(OC2CCN(C3CCN(C(C)=O)CC3)CC2)c(Cl)c1 ZINC000015068330 523926229 /nfs/dbraw/zinc/92/62/29/523926229.db2.gz BERDZNFXIBRYTQ-UHFFFAOYSA-N 0 3 437.968 2.570 50 0 IFAAHN COc1ccc(CN(C)Cc2cnn(C)c2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000012304379 524008659 /nfs/dbraw/zinc/00/86/59/524008659.db2.gz PYXXSYLPQHYICC-HSZRJFAPSA-N 0 3 438.572 2.932 50 0 IFAAHN COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CNCCCN1CCOCC1 ZINC000012587599 524023603 /nfs/dbraw/zinc/02/36/03/524023603.db2.gz FZHUJEDGLDRTFF-UHFFFAOYSA-N 0 3 435.521 2.591 50 0 IFAAHN COc1cccc([C@H](CNCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)N2CCCC2)c1 ZINC000022804912 524161440 /nfs/dbraw/zinc/16/14/40/524161440.db2.gz CWRNNFDPHSSPLM-REWPJTCUSA-N 0 3 446.617 2.795 50 0 IFAAHN Cc1ccc(N2C(=O)N(CC(=O)NC3CCN(Cc4ccccc4)CC3)C(=O)[C@H]2C)cc1 ZINC000012785028 524924286 /nfs/dbraw/zinc/92/42/86/524924286.db2.gz BEEUKWGDVLWDNH-LJQANCHMSA-N 0 3 434.540 2.933 50 0 IFAAHN Cc1ccccc1CN1CCC(CNS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)CC1 ZINC000021108506 525137960 /nfs/dbraw/zinc/13/79/60/525137960.db2.gz QMIQVCVCVJDTMA-UHFFFAOYSA-N 0 3 443.569 2.825 50 0 IFAAHN C[C@H]1CCCCN1CCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1 ZINC000035423399 526250004 /nfs/dbraw/zinc/25/00/04/526250004.db2.gz KXXLUSIGEGLTKZ-KRWDZBQOSA-N 0 3 433.512 2.895 50 0 IFAAHN O=C(NCCN1CCCCC1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021527842 526307073 /nfs/dbraw/zinc/30/70/73/526307073.db2.gz OIQLEMIOTAUWNJ-UHFFFAOYSA-N 0 3 429.524 2.913 50 0 IFAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)n1 ZINC000021795876 526964449 /nfs/dbraw/zinc/96/44/49/526964449.db2.gz KOBHSKCUVJRTLR-UHFFFAOYSA-N 0 3 438.532 2.901 50 0 IFAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000021794616 526967426 /nfs/dbraw/zinc/96/74/26/526967426.db2.gz AURKLDBCDAPYMX-UHFFFAOYSA-N 0 3 448.493 2.518 50 0 IFAAHN NC(=O)c1ccc(N2CCC(CCC(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)nc1 ZINC000012386425 527055898 /nfs/dbraw/zinc/05/58/98/527055898.db2.gz ZCSLFOKWWZIWIZ-QFIPXVFZSA-N 0 3 435.572 2.568 50 0 IFAAHN CCCCN(C)CCNC(=O)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000006936252 535223873 /nfs/dbraw/zinc/22/38/73/535223873.db2.gz QTEXHRBSNBCQPH-SFHVURJKSA-N 0 3 427.597 2.617 50 0 IFAAHN CC(C)OC[C@H](O)CN1CCCN(c2ccc(NC(=O)c3cc(F)cc(F)c3)cn2)CC1 ZINC000034682313 555816074 /nfs/dbraw/zinc/81/60/74/555816074.db2.gz WGIYNCYLCDMSNZ-OAQYLSRUSA-N 0 3 448.514 2.910 50 0 IFAAHN COc1cccc(C(=O)N2[C@@H](C(=O)NCCN3CCCC3)COC23CCC(C)CC3)c1 ZINC000034921065 555931498 /nfs/dbraw/zinc/93/14/98/555931498.db2.gz MZKGDIRKQYJAPC-RUPGZQMFSA-N 0 3 429.561 2.655 50 0 IFAAHN Cc1ccc2[nH]c3c(cnn(CC(=O)NC4CCN(Cc5ccccc5)CC4)c3=O)c2c1 ZINC000009225953 556260059 /nfs/dbraw/zinc/26/00/59/556260059.db2.gz FLKXFCUSWOZSFO-UHFFFAOYSA-N 0 3 429.524 2.967 50 0 IFAAHN O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NC1CCN(Cc2ccccc2)CC1 ZINC000013693099 556282612 /nfs/dbraw/zinc/28/26/12/556282612.db2.gz BRBADCJFNCJFDD-UHFFFAOYSA-N 0 3 432.524 2.502 50 0 IFAAHN O=C(CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)NCCN1CCCC1 ZINC000013879964 556325047 /nfs/dbraw/zinc/32/50/47/556325047.db2.gz LXZFEUSUTNFDIF-UHFFFAOYSA-N 0 3 448.611 2.912 50 0 IFAAHN CN(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1 ZINC000032781239 556349345 /nfs/dbraw/zinc/34/93/45/556349345.db2.gz YVSLUSGZPKCILK-OAQYLSRUSA-N 0 3 427.526 2.791 50 0 IFAAHN COc1cc(CNCc2cccc(SC)c2)ccc1OC[C@H](O)CN1CCC(O)CC1 ZINC000011840372 556364769 /nfs/dbraw/zinc/36/47/69/556364769.db2.gz FDCCCVIBTBVNNZ-OAQYLSRUSA-N 0 3 446.613 2.903 50 0 IFAAHN COC(=O)C1CCN(C[C@@H](O)COc2cccc(CNCc3ccc(F)cc3)c2)CC1 ZINC000011841832 556365554 /nfs/dbraw/zinc/36/55/54/556365554.db2.gz OKZGPYIBFGQNHM-JOCHJYFZSA-N 0 3 430.520 2.740 50 0 IFAAHN COc1cccc(CNC2CCN(c3ccc(C(=O)N4CCOCC4)cc3)CC2)c1OC ZINC000011912763 556375631 /nfs/dbraw/zinc/37/56/31/556375631.db2.gz IOSVVRKIXBHVGX-UHFFFAOYSA-N 0 3 439.556 2.935 50 0 IFAAHN CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccccc1-c1ccco1)CC2 ZINC000011995393 556383837 /nfs/dbraw/zinc/38/38/37/556383837.db2.gz GKBQCBHVPJENBP-OAQYLSRUSA-N 0 3 443.573 2.843 50 0 IFAAHN CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCCCC1 ZINC000014232481 556398278 /nfs/dbraw/zinc/39/82/78/556398278.db2.gz FTRUZYGYBIAMFM-UHFFFAOYSA-N 0 3 425.570 2.607 50 0 IFAAHN CCN1CCN(CCNC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)CC1 ZINC000032579028 556406058 /nfs/dbraw/zinc/40/60/58/556406058.db2.gz HJUNFKAMYGEARP-UHFFFAOYSA-N 0 3 435.528 2.536 50 0 IFAAHN COCCN1C(=O)N(CCc2ccc(OC)cc2)C2(CCN([C@H](C)CSC)CC2)C1=O ZINC000014533468 556422021 /nfs/dbraw/zinc/42/20/21/556422021.db2.gz IEWGNLBPVDGSHI-GOSISDBHSA-N 0 3 449.617 2.734 50 0 IFAAHN CCn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCCCN1CCN(CC)CC1 ZINC000022936562 556445757 /nfs/dbraw/zinc/44/57/57/556445757.db2.gz BIGPXWXUBUAAOW-UHFFFAOYSA-N 0 3 443.567 2.685 50 0 IFAAHN CCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3ccc(CO)o3)CC2)[C@H]1OCCOC ZINC000014977047 556469271 /nfs/dbraw/zinc/46/92/71/556469271.db2.gz CNVWRQGZZNFFLI-RPWUZVMVSA-N 0 3 442.556 2.918 50 0 IFAAHN CN(CCn1cccn1)Cc1cc2cc3c(cc2n(CCN2CCCCC2)c1=O)OCO3 ZINC000014991900 556475439 /nfs/dbraw/zinc/47/54/39/556475439.db2.gz RIMVKVDGLNLIQN-UHFFFAOYSA-N 0 3 437.544 2.545 50 0 IFAAHN CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1CN[C@H]1CCOC(C)(C)C1 ZINC000014993779 556476555 /nfs/dbraw/zinc/47/65/55/556476555.db2.gz ZYRCANUQBHWAHB-INIZCTEOSA-N 0 3 438.528 2.948 50 0 IFAAHN CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1CN[C@@H]1CCOC(C)(C)C1 ZINC000014993777 556476577 /nfs/dbraw/zinc/47/65/77/556476577.db2.gz ZYRCANUQBHWAHB-MRXNPFEDSA-N 0 3 438.528 2.948 50 0 IFAAHN COc1cc(CC(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000030000098 556488908 /nfs/dbraw/zinc/48/89/08/556488908.db2.gz PNCZHLLDQZLJAI-OAQYLSRUSA-N 0 3 441.572 2.750 50 0 IFAAHN COC(=O)c1ccc(CN2CCC[C@H](CNC(=O)COc3ccccc3OC)C2)cc1 ZINC000015062464 556490457 /nfs/dbraw/zinc/49/04/57/556490457.db2.gz NKUHXQLROQTRSU-LJQANCHMSA-N 0 3 426.513 2.889 50 0 IFAAHN O=C(c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)N1CCN(CCO)CC1 ZINC000015061670 556490720 /nfs/dbraw/zinc/49/07/20/556490720.db2.gz FGNSPXFPOIJSQG-UHFFFAOYSA-N 0 3 437.584 2.523 50 0 IFAAHN CN(CCn1ccnc1)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn21 ZINC000015066947 556493071 /nfs/dbraw/zinc/49/30/71/556493071.db2.gz JRQNMJASUNJPDW-UHFFFAOYSA-N 0 3 449.603 2.753 50 0 IFAAHN O=C(NCCc1ccc(F)cc1)[C@@H]1C[C@@H](n2cnnn2)CN1C1C2CC3CC(C2)CC1C3 ZINC000015070596 556495421 /nfs/dbraw/zinc/49/54/21/556495421.db2.gz VHEOJWVVZUEPJH-NLFMHIACSA-N 0 3 438.551 2.611 50 0 IFAAHN COc1cc(CNC2(c3ccccc3)CC2)ccc1OC[C@H](O)CN1CCC(O)CC1 ZINC000015072338 556496894 /nfs/dbraw/zinc/49/68/94/556496894.db2.gz PKBGLZXFUOVXDA-JOCHJYFZSA-N 0 3 426.557 2.671 50 0 IFAAHN Cc1nccn1CC(=O)N1CCC[C@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000065265711 556523404 /nfs/dbraw/zinc/52/34/04/556523404.db2.gz YGDFBPOKSBSUJG-XMMPIXPASA-N 0 3 429.528 2.893 50 0 IFAAHN Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c(C)c1 ZINC000015671278 556542282 /nfs/dbraw/zinc/54/22/82/556542282.db2.gz QSGDYRKKGNIWQR-UHFFFAOYSA-N 0 3 429.590 2.903 50 0 IFAAHN CCc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)cc1 ZINC000015671287 556542370 /nfs/dbraw/zinc/54/23/70/556542370.db2.gz ACXCMOVKADXJHD-UHFFFAOYSA-N 0 3 429.590 2.849 50 0 IFAAHN COc1ccc([C@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NCCN2CCCC2)cc1 ZINC000015725593 556547112 /nfs/dbraw/zinc/54/71/12/556547112.db2.gz TUUYBJCVTRIGAX-DEOSSOPVSA-N 0 3 446.551 2.944 50 0 IFAAHN COc1cc(OC)c(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1Cl ZINC000033326762 556561644 /nfs/dbraw/zinc/56/16/44/556561644.db2.gz XGVOEBWFOVKZTG-UHFFFAOYSA-N 0 3 434.928 2.876 50 0 IFAAHN CSc1cccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c1 ZINC000033326813 556561664 /nfs/dbraw/zinc/56/16/64/556561664.db2.gz UCGVKRYAILWGST-UHFFFAOYSA-N 0 3 428.562 2.698 50 0 IFAAHN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000072308608 556565335 /nfs/dbraw/zinc/56/53/35/556565335.db2.gz IWPATACMEMXVCF-LJQANCHMSA-N 0 3 447.583 2.944 50 0 IFAAHN CCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)cc2C)CC1 ZINC000016300145 556598922 /nfs/dbraw/zinc/59/89/22/556598922.db2.gz LEURONVWADHWQF-UHFFFAOYSA-N 0 3 442.585 2.711 50 0 IFAAHN CN(C)[C@H](CNC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000032989047 556608950 /nfs/dbraw/zinc/60/89/50/556608950.db2.gz YFYBDRIMYPRXSG-QGZVFWFLSA-N 0 3 443.491 2.793 50 0 IFAAHN COc1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1S(=O)(=O)NC1CCCC1 ZINC000016599141 556616839 /nfs/dbraw/zinc/61/68/39/556616839.db2.gz GDGOOZHEJUZVSN-FQEVSTJZSA-N 0 3 445.585 2.949 50 0 IFAAHN Cn1c2ccc([C@@H](O)COc3ccc(CNC[C@H](O)c4ccccc4)cc3)cc2n(C)c1=O ZINC000040722016 556648033 /nfs/dbraw/zinc/64/80/33/556648033.db2.gz MBHLQFCSGCUVLA-DQEYMECFSA-N 0 3 447.535 2.813 50 0 IFAAHN O=C(c1nc2ccccn2c1CN1CCC[C@H](CO)C1)N1CCN(C2CCCCC2)CC1 ZINC000019222130 556716265 /nfs/dbraw/zinc/71/62/65/556716265.db2.gz AJIZJTVBUGMEIZ-FQEVSTJZSA-N 0 3 439.604 2.629 50 0 IFAAHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)CC1 ZINC000078680167 556735125 /nfs/dbraw/zinc/73/51/25/556735125.db2.gz CQJIGPOAHHTBDW-FGZHOGPDSA-N 0 3 428.621 2.545 50 0 IFAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)Nc1nnc(-c2ccccn2)s1 ZINC000058158350 556763256 /nfs/dbraw/zinc/76/32/56/556763256.db2.gz DEMKHNGIPRMSEW-UHFFFAOYSA-N 0 3 437.573 2.930 50 0 IFAAHN O=C([C@@H]1CC(c2ccccc2)=NO1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058167928 556766957 /nfs/dbraw/zinc/76/69/57/556766957.db2.gz OOFROAOSUPSVCJ-REWPJTCUSA-N 0 3 433.556 2.635 50 0 IFAAHN CCN1CCN(c2ccc(NC(=O)NCc3cccnc3N3CCOCC3)cc2C)CC1 ZINC000058357807 556782929 /nfs/dbraw/zinc/78/29/29/556782929.db2.gz UKGLZNXJJODGDL-UHFFFAOYSA-N 0 3 438.576 2.690 50 0 IFAAHN Cc1c(C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)cnn1-c1ccc(=O)[nH]n1 ZINC000060168096 556807152 /nfs/dbraw/zinc/80/71/52/556807152.db2.gz BLSNLJMYGXIFRT-UHFFFAOYSA-N 0 3 448.449 2.899 50 0 IFAAHN COc1ccc(-c2cc3n(n2)CCC(=O)N3Cc2ccc(C(=O)NCCN(C)C)cc2)cc1 ZINC000064816772 556827569 /nfs/dbraw/zinc/82/75/69/556827569.db2.gz BQEBEIIRWWBIMF-UHFFFAOYSA-N 0 3 447.539 2.787 50 0 IFAAHN CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(OC4CC[NH+](C)CC4)cc3)ccc21 ZINC000067613310 556844370 /nfs/dbraw/zinc/84/43/70/556844370.db2.gz XATDXHYXCCHFCJ-UHFFFAOYSA-N 0 3 429.542 2.869 50 0 IFAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)n1 ZINC000067629944 556845170 /nfs/dbraw/zinc/84/51/70/556845170.db2.gz JQTISMGFTNJXCY-UHFFFAOYSA-N 0 3 448.493 2.518 50 0 IFAAHN O=C(c1cc([N-]S(=O)(=O)c2ccccc2)ccc1N1CC[NH2+]CC1)N1CCCCCC1 ZINC000033121020 556862705 /nfs/dbraw/zinc/86/27/05/556862705.db2.gz VHQVKCBRLPSKBT-UHFFFAOYSA-N 0 3 442.585 2.913 50 0 IFAAHN Cc1ccc(-c2nnc3ccc(N4CCC(C(=O)NCCN5CCCCC5)CC4)nn32)cc1 ZINC000033260284 556896985 /nfs/dbraw/zinc/89/69/85/556896985.db2.gz XTZCZKQZBSPMMZ-UHFFFAOYSA-N 0 3 447.587 2.918 50 0 IFAAHN O=C(CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000019817559 556920210 /nfs/dbraw/zinc/92/02/10/556920210.db2.gz LGMMLZHDHGLVGR-MAUKXSAKSA-N 0 3 434.452 2.861 50 0 IFAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3cccc(Oc4ncccn4)c3)CC2)n1 ZINC000072442401 556973500 /nfs/dbraw/zinc/97/35/00/556973500.db2.gz PCIONOCTNNDWOT-UHFFFAOYSA-N 0 3 445.527 2.930 50 0 IFAAHN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C(C)C)N[C@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000043743406 557012307 /nfs/dbraw/zinc/01/23/07/557012307.db2.gz YRMOPAGMKRTMFB-KWALNSLNSA-N 0 3 447.535 2.889 50 0 IFAAHN CN1CCCN(c2ccc(CNC(=O)CCc3nc(-c4ccc(F)cc4)no3)cn2)CC1 ZINC000048287320 557052840 /nfs/dbraw/zinc/05/28/40/557052840.db2.gz PHXBVKXFZITXNG-UHFFFAOYSA-N 0 3 438.507 2.662 50 0 IFAAHN CCCCN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1N1CC[NH2+]CC1 ZINC000033275389 557053979 /nfs/dbraw/zinc/05/39/79/557053979.db2.gz RARQOKZZLTVOPU-UHFFFAOYSA-N 0 3 448.564 2.908 50 0 IFAAHN O=S(=O)(c1ccc(CNCc2ccc(Br)cc2)cc1)N1CCOCC1 ZINC000017317370 557057587 /nfs/dbraw/zinc/05/75/87/557057587.db2.gz CWEMCGSDDGYEJC-UHFFFAOYSA-N 0 3 425.348 2.760 50 0 IFAAHN CN(C)CCN(CCc1ccccc1)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000048309959 557060210 /nfs/dbraw/zinc/06/02/10/557060210.db2.gz LJFRXIZFMRFJOZ-UHFFFAOYSA-N 0 3 443.979 2.914 50 0 IFAAHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3Cc3ccccc3)CC2)c(C)c1 ZINC000048332480 557070163 /nfs/dbraw/zinc/07/01/63/557070163.db2.gz CFBVNTRECBQTMK-JOCHJYFZSA-N 0 3 441.597 2.801 50 0 IFAAHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CC2)c(C)c1 ZINC000048332479 557070222 /nfs/dbraw/zinc/07/02/22/557070222.db2.gz CFBVNTRECBQTMK-QFIPXVFZSA-N 0 3 441.597 2.801 50 0 IFAAHN O=C(COc1ccccc1CNC[C@H](c1ccc(F)cc1)N1CCOCC1)N1CCCC1 ZINC000025262317 557201848 /nfs/dbraw/zinc/20/18/48/557201848.db2.gz QNVFYIIRTVSKAC-HSZRJFAPSA-N 0 3 441.547 2.990 50 0 IFAAHN O=c1occ(C[NH+]2CCCCCC2)c([O-])c1CN1CCN(CCOc2ccccc2)CC1 ZINC000101373418 557278533 /nfs/dbraw/zinc/27/85/33/557278533.db2.gz LSVXSJVRRSHRMY-UHFFFAOYSA-N 0 3 441.572 2.918 50 0 IFAAHN CN(C)[C@@H](CNC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000032989045 557322005 /nfs/dbraw/zinc/32/20/05/557322005.db2.gz YFYBDRIMYPRXSG-KRWDZBQOSA-N 0 3 443.491 2.793 50 0 IFAAHN C[C@H]1CCCCN1CCNC(=O)CN1CCc2ccccc2[C@H]1C(=O)N1CCCCC1 ZINC000106465716 557529596 /nfs/dbraw/zinc/52/95/96/557529596.db2.gz KUKJTSMSPFATRG-RDPSFJRHSA-N 0 3 426.605 2.589 50 0 IFAAHN C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccc(C[C@@H]4NC(=O)[N-]C4=O)cc3)cc2)C1 ZINC000108156065 557541444 /nfs/dbraw/zinc/54/14/44/557541444.db2.gz ALBLZTDCLVJBTB-JTSKRJEESA-N 0 3 449.555 2.991 50 0 IFAAHN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccc(C[C@@H]4NC(=O)[N-]C4=O)cc3)cc2)C1 ZINC000108156065 557541445 /nfs/dbraw/zinc/54/14/45/557541445.db2.gz ALBLZTDCLVJBTB-JTSKRJEESA-N 0 3 449.555 2.991 50 0 IFAAHN CN(C)CC(=O)Nc1cccc(CN[C@@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000225632490 557754579 /nfs/dbraw/zinc/75/45/79/557754579.db2.gz CDEBJPITIWHFOU-UNMCSNQZSA-N 0 3 446.592 2.691 50 0 IFAAHN CN(C)CC(=O)Nc1cccc(CN[C@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000225632454 557754598 /nfs/dbraw/zinc/75/45/98/557754598.db2.gz CDEBJPITIWHFOU-RBBKRZOGSA-N 0 3 446.592 2.691 50 0 IFAAHN CCCS(=O)(=O)N1CCC(C(=O)NCCN2CCC(Cc3ccccc3)CC2)CC1 ZINC000004111066 562942079 /nfs/dbraw/zinc/94/20/79/562942079.db2.gz OGFFWZLMIJHBSE-UHFFFAOYSA-N 0 3 435.634 2.509 50 0 IFAAHN CC(C)C[C@H](N)C(=O)N1CCC(C(=O)N[C@H](C(=O)N[C@H](C)c2ccccc2)C(C)C)CC1 ZINC000009109214 562967004 /nfs/dbraw/zinc/96/70/04/562967004.db2.gz TVZBMYDJHZPXMZ-COPCDDAFSA-N 0 3 444.620 2.617 50 0 IFAAHN CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccc4c(c3)OCO4)nc1=O)CCC2 ZINC000009745500 562976499 /nfs/dbraw/zinc/97/64/99/562976499.db2.gz VHHHQZWEHCAEAG-UHFFFAOYSA-N 0 3 444.557 2.533 50 0 IFAAHN CCOc1ccc(C(=O)NCC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)cc1 ZINC000013009899 562984049 /nfs/dbraw/zinc/98/40/49/562984049.db2.gz ZRSYBZDIGRAQGX-JOCHJYFZSA-N 0 3 425.529 2.777 50 0 IFAAHN Cc1ccc2nc(CNC3CCN(c4ccc(C(=O)N5CCC[C@@H](O)C5)cc4)CC3)cn2c1 ZINC000299760916 568755659 /nfs/dbraw/zinc/75/56/59/568755659.db2.gz SETITUAKJMMFAB-XMMPIXPASA-N 0 3 447.583 2.998 50 0 IFAAHN CCCN1CCN(c2ncc3c(n2)CCN(Cc2cc(OC)c(OC)cc2OC)C3)CC1 ZINC000015779559 568825027 /nfs/dbraw/zinc/82/50/27/568825027.db2.gz HRCHRJBBKUGSHI-UHFFFAOYSA-N 0 3 441.576 2.593 50 0 IFAAHN CCN(CC)[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1Cl)c1cccc(OC)c1 ZINC000012821404 568831432 /nfs/dbraw/zinc/83/14/32/568831432.db2.gz ZOSKAXSTYZCHMJ-IBGZPJMESA-N 0 3 439.965 2.809 50 0 IFAAHN CC1CCN(C2=CC(=O)N(c3ccc(C(=O)NCCN4CCCCCC4)cc3)C2=O)CC1 ZINC000064567212 568933429 /nfs/dbraw/zinc/93/34/29/568933429.db2.gz AJUGDLBOXPDDTH-UHFFFAOYSA-N 0 3 438.572 2.781 50 0 IFAAHN Cc1ccc(CN2CC[C@@H](CNC(=O)Cn3c4ccccc4c4cnn(C)c(=O)c43)C2)cc1 ZINC000064839369 568969484 /nfs/dbraw/zinc/96/94/84/568969484.db2.gz BOEYMSUZMRJNHY-FQEVSTJZSA-N 0 3 443.551 2.835 50 0 IFAAHN Cc1ccc(C(=O)N2CCN([C@H](C(=O)NCCN3CCCCC3)C3CCCC3)CC2)cc1 ZINC000036255011 568984857 /nfs/dbraw/zinc/98/48/57/568984857.db2.gz GTQOFSWUCFPMLC-DEOSSOPVSA-N 0 3 440.632 2.914 50 0 IFAAHN Cc1ccccc1C(=O)N1CCN([C@@H](C(=O)NCCN2CCCCC2)C2CCCC2)CC1 ZINC000036255058 568985093 /nfs/dbraw/zinc/98/50/93/568985093.db2.gz UMHNSOVDYJUTIT-XMMPIXPASA-N 0 3 440.632 2.914 50 0 IFAAHN COc1ccc([C@@H]2CCCCCN2CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1 ZINC000036384053 569092763 /nfs/dbraw/zinc/09/27/63/569092763.db2.gz FNGZRGLXURCRQV-QFIPXVFZSA-N 0 3 444.620 2.671 50 0 IFAAHN CCOc1cccc(CNC(=O)c2cnc(N3CCN(C4CCCCC4)CC3)nc2N)c1 ZINC000065154751 569112393 /nfs/dbraw/zinc/11/23/93/569112393.db2.gz COLIPMDGJPMADM-UHFFFAOYSA-N 0 3 438.576 2.842 50 0 IFAAHN O=C(c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1)N1CCN(c2ccccn2)CC1 ZINC000065256056 569123265 /nfs/dbraw/zinc/12/32/65/569123265.db2.gz PWTYUQJKJAWEAA-QFIPXVFZSA-N 0 3 428.540 2.590 50 0 IFAAHN Cn1c(=O)c2ccnn2c2ccc(C(=O)NCC3CCN(Cc4cccc(F)c4)CC3)cc21 ZINC000065270673 569127632 /nfs/dbraw/zinc/12/76/32/569127632.db2.gz YZPSGFPIKALWMJ-UHFFFAOYSA-N 0 3 447.514 2.967 50 0 IFAAHN O=C(c1cc2c(s1)CC[C@H](C(=O)N1CCN(C3CCCCC3)CC1)C2)N1CCOCC1 ZINC000065272774 569129036 /nfs/dbraw/zinc/12/90/36/569129036.db2.gz JGVOFQTVGXHEMN-SFHVURJKSA-N 0 3 445.629 2.802 50 0 IFAAHN O=C(Cn1ncc2c1ncnc2N1CCCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000065295051 569131306 /nfs/dbraw/zinc/13/13/06/569131306.db2.gz IIBUAPHHEBOBMQ-UHFFFAOYSA-N 0 3 433.560 2.597 50 0 IFAAHN COC(=O)c1ccc2c(c1)nc(N1CCCN(C)CC1)n(-c1ccc(Cl)cc1)c2=O ZINC000065306573 569133362 /nfs/dbraw/zinc/13/33/62/569133362.db2.gz DLLUHDQQYYJTAY-UHFFFAOYSA-N 0 3 426.904 2.968 50 0 IFAAHN COc1cc(NC(=O)CSC2=N[C@H](c3c[nH]c4ccccc43)NC(=N)N2)cc(OC)c1 ZINC000013579224 569156194 /nfs/dbraw/zinc/15/61/94/569156194.db2.gz YHJQKHAMPIQDOJ-LJQANCHMSA-N 0 3 438.513 2.830 50 0 IFAAHN COc1cccc(-c2nc(N3CCN(CCc4ccccc4)CC3)nc3nn(C)c(N)c32)c1 ZINC000037360759 569181587 /nfs/dbraw/zinc/18/15/87/569181587.db2.gz RUDFMGUUAMIULA-UHFFFAOYSA-N 0 3 443.555 2.986 50 0 IFAAHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCOCC2)C1 ZINC000252550658 569191029 /nfs/dbraw/zinc/19/10/29/569191029.db2.gz SWQLGKBVXBXXBE-FPOVZHCZSA-N 0 3 446.592 2.682 50 0 IFAAHN CC(C)N1CCN([C@H]2CCOC3(CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)CC1 ZINC000581819747 569211638 /nfs/dbraw/zinc/21/16/38/569211638.db2.gz HQLVUAYPQUSAKK-QFIPXVFZSA-N 0 3 435.634 2.556 50 0 IFAAHN Cc1cccc(N2CCN(C(=O)CN[C@](C)(CNC(=O)OC(C)(C)C)C3CC3)CC2)c1 ZINC000079105462 569325683 /nfs/dbraw/zinc/32/56/83/569325683.db2.gz RZOIODVDWLAVRS-XMMPIXPASA-N 0 3 430.593 2.927 50 0 IFAAHN CCc1nc(C)c(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)[nH]1 ZINC000019939280 569332167 /nfs/dbraw/zinc/33/21/67/569332167.db2.gz JQJXRHPQSNITLB-HXUWFJFHSA-N 0 3 425.577 2.791 50 0 IFAAHN CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCCN4CCN(C)CC4)C3)sc2c1 ZINC000020383551 569362718 /nfs/dbraw/zinc/36/27/18/569362718.db2.gz HZDZNILIUSYJQU-GOSISDBHSA-N 0 3 445.633 2.665 50 0 IFAAHN CCc1nn(CC(=O)N2CCN(C3CCCCC3)CC2)c(=O)c2cc3sccc3n21 ZINC000020384098 569362884 /nfs/dbraw/zinc/36/28/84/569362884.db2.gz VWIGHVFNHHBLKC-UHFFFAOYSA-N 0 3 427.574 2.750 50 0 IFAAHN Cc1c2cnn(CC(=O)NCCN3CCCC3)c(=O)c2c(C)n1Cc1ccc(Cl)cc1 ZINC000020417232 569364902 /nfs/dbraw/zinc/36/49/02/569364902.db2.gz SHTGMOPGJZVVSH-UHFFFAOYSA-N 0 3 441.963 2.729 50 0 IFAAHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000095444037 569366977 /nfs/dbraw/zinc/36/69/77/569366977.db2.gz XEOMURKUNOTBDR-FDDCHVKYSA-N 0 3 427.501 2.860 50 0 IFAAHN COc1ccc(C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)nc1I ZINC000095444727 569367186 /nfs/dbraw/zinc/36/71/86/569367186.db2.gz JQAWFGOOTOGFCJ-RWMBFGLXSA-N 0 3 431.318 2.791 50 0 IFAAHN COc1ccc(C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)nc1I ZINC000095444728 569367119 /nfs/dbraw/zinc/36/71/19/569367119.db2.gz JQAWFGOOTOGFCJ-JHJVBQTASA-N 0 3 431.318 2.791 50 0 IFAAHN Cc1cc([C@H](NCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C(C)C)c(C)s1 ZINC000095462605 569370189 /nfs/dbraw/zinc/37/01/89/569370189.db2.gz OQTSXKXUHFJUBJ-DBXWQHBBSA-N 0 3 442.647 2.846 50 0 IFAAHN NS(=O)(=O)c1ccc(CNC(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000095479827 569373833 /nfs/dbraw/zinc/37/38/33/569373833.db2.gz MEZMWUSOOAIAOO-UHFFFAOYSA-N 0 3 435.549 2.672 50 0 IFAAHN C[C@@H](C(=O)Nc1ccc(OC2CCN(C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000095482551 569374448 /nfs/dbraw/zinc/37/44/48/569374448.db2.gz CMPNVSPWUSWUOX-KRWDZBQOSA-N 0 3 431.558 2.953 50 0 IFAAHN COc1cc2c(cc1OC)CC(=O)N(CC(=O)NC1CCN(Cc3ccccc3)CC1)C=C2 ZINC000096232303 569387753 /nfs/dbraw/zinc/38/77/53/569387753.db2.gz IIBJVVOQJNKEOB-UHFFFAOYSA-N 0 3 449.551 2.840 50 0 IFAAHN CCN1CCC[C@@H]1CNC(=O)c1nn(-c2ccc(OC)cc2OC)c(=O)c2ccccc21 ZINC000002942994 569426813 /nfs/dbraw/zinc/42/68/13/569426813.db2.gz BHMICYNVLYLXHX-MRXNPFEDSA-N 0 3 436.512 2.617 50 0 IFAAHN C[C@H](CNC(=O)CCn1cnc2ccc(Br)cc2c1=O)N1CCC(C)CC1 ZINC000058169217 569449562 /nfs/dbraw/zinc/44/95/62/569449562.db2.gz OGHTUPDXLIFVGX-OAHLLOKOSA-N 0 3 435.366 2.786 50 0 IFAAHN Cn1c(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)ccc1-c1ccccc1 ZINC000670457524 569458826 /nfs/dbraw/zinc/45/88/26/569458826.db2.gz QDCKBTNSKAVFMP-PYLWXJQRSA-N 0 3 426.564 2.990 50 0 IFAAHN CCn1c2ccccc2n(CC(=O)N[C@@H](C)CCN2CCN(c3cccc(C)c3)CC2)c1=O ZINC000032019908 569458923 /nfs/dbraw/zinc/45/89/23/569458923.db2.gz BARMMLVRPIPWOH-NRFANRHFSA-N 0 3 449.599 2.848 50 0 IFAAHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC(C)(C)N2CCc3ccccc3C2)cc1 ZINC000032369154 569461388 /nfs/dbraw/zinc/46/13/88/569461388.db2.gz FDUAKCIKOGHYFJ-SFHVURJKSA-N 0 3 429.586 2.615 50 0 IFAAHN Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@H](c2cccs2)N2CCCC2)c(C)c1 ZINC000039976204 569482192 /nfs/dbraw/zinc/48/21/92/569482192.db2.gz ORNWIMSTRAAGHR-GOSISDBHSA-N 0 3 435.615 2.987 50 0 IFAAHN CCCCn1c(N)c(N(C(=O)CN2CC[C@@H]3CCCC[C@@H]3C2)C2CCCC2)c(=O)[nH]c1=O ZINC000009723395 569563582 /nfs/dbraw/zinc/56/35/82/569563582.db2.gz TYCUCMYWALTASJ-ZWKOTPCHSA-N 0 3 445.608 2.707 50 0 IFAAHN CN(C)CCn1c2c(c(SCC(=O)Nc3nc4ccccc4s3)nc1=O)CCC2 ZINC000009745372 569565668 /nfs/dbraw/zinc/56/56/68/569565668.db2.gz NGHLXRBYBOLTJX-UHFFFAOYSA-N 0 3 429.571 2.634 50 0 IFAAHN C[C@H](NC(=O)NCc1ccccc1CN1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000009810826 569569065 /nfs/dbraw/zinc/56/90/65/569569065.db2.gz SLYRAZPWXHEAIH-KRWDZBQOSA-N 0 3 430.574 2.880 50 0 IFAAHN O=c1[nH]c2nc(NCCCN3CCc4ccccc4C3)ncc2c(=O)n1Cc1ccccc1 ZINC000077100710 569585398 /nfs/dbraw/zinc/58/53/98/569585398.db2.gz PXHVCINUMRNSLR-UHFFFAOYSA-N 0 3 442.523 2.801 50 0 IFAAHN C[C@H]1CCCCN1CCNC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000009211275 132309231 /nfs/dbraw/zinc/30/92/31/132309231.db2.gz OIVIGAHSDYTHNN-SFHVURJKSA-N 0 3 439.608 2.760 50 0 IFAAHN Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3cccc4ccccc43)CC2)n1 ZINC000009620749 132323817 /nfs/dbraw/zinc/32/38/17/132323817.db2.gz IJGYVGYSPHDDER-UHFFFAOYSA-N 0 3 430.556 2.652 50 0 IFAAHN CCN1CCN(c2ccc(NC(=O)CCNS(=O)(=O)c3ccc(C)cc3C)cc2)CC1 ZINC000009671125 132325043 /nfs/dbraw/zinc/32/50/43/132325043.db2.gz WVODNNOGZCJSMK-UHFFFAOYSA-N 0 3 444.601 2.752 50 0 IFAAHN Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)n1 ZINC000011027535 132337123 /nfs/dbraw/zinc/33/71/23/132337123.db2.gz SKOPQEBIVSOELK-UHFFFAOYSA-N 0 3 448.493 2.518 50 0 IFAAHN Cc1cccn2cc(CNC3CCN(c4ccc(C(=O)N5CCC[C@H](O)C5)cc4)CC3)nc12 ZINC000011784496 132339745 /nfs/dbraw/zinc/33/97/45/132339745.db2.gz MHXQHRIURFMTAM-DEOSSOPVSA-N 0 3 447.583 2.998 50 0 IFAAHN CCCN1CCN(CCCNC(=O)c2ccc(C)c(NC(=O)C3=CSCCO3)c2)CC1 ZINC000021019848 519858207 /nfs/dbraw/zinc/85/82/07/519858207.db2.gz ZLPLYUZIJZWAMP-UHFFFAOYSA-N 0 3 446.617 2.686 50 0 IFAAHN CCN1CCN(CCNC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)CC1 ZINC000021915654 521683170 /nfs/dbraw/zinc/68/31/70/521683170.db2.gz NABBJPXOBSVYFD-UHFFFAOYSA-N 0 3 435.528 2.536 50 0 IFAAHN CCN1CCN(C[C@H](O)COc2ccc(CNCc3ccc(F)c(F)c3)cc2OC)CC1 ZINC000022918903 521686677 /nfs/dbraw/zinc/68/66/77/521686677.db2.gz BFKRXPCNAJIDOG-FQEVSTJZSA-N 0 3 449.542 2.640 50 0 IFAAHN CCN1CCN(c2ccc(NC(=O)CN(c3ccccc3C)S(C)(=O)=O)c(C)c2)CC1 ZINC000012527800 521698045 /nfs/dbraw/zinc/69/80/45/521698045.db2.gz RMKFNYZCOUZVNZ-UHFFFAOYSA-N 0 3 444.601 2.850 50 0 IFAAHN COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCCN3CCCC[C@@H]3C)CC2)c1C ZINC000035425990 521749719 /nfs/dbraw/zinc/74/97/19/521749719.db2.gz KNARRSBSVKGFMZ-INIZCTEOSA-N 0 3 446.592 2.651 50 0 IFAAHN COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3ccccc3)N(CC3CCCCC3)C2)nn1 ZINC000012209403 522329946 /nfs/dbraw/zinc/32/99/46/522329946.db2.gz QNUBWERYHLTDCT-UNMCSNQZSA-N 0 3 439.560 2.619 50 0 IFAAHN COc1cc(CNCc2ccc(Cl)s2)ccc1OC[C@@H](O)CN1CCC(O)CC1 ZINC000012197286 522465322 /nfs/dbraw/zinc/46/53/22/522465322.db2.gz VQRFAZPYJDLBTF-KRWDZBQOSA-N 0 3 440.993 2.896 50 0 IFAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)c1n[nH]c2c1CCC2 ZINC000012445581 523687936 /nfs/dbraw/zinc/68/79/36/523687936.db2.gz HNNVNIOTUHXAHC-UHFFFAOYSA-N 0 3 426.561 2.908 50 0 IFAAHN COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2sccc2C)CC3)cc1 ZINC000020999871 523703548 /nfs/dbraw/zinc/70/35/48/523703548.db2.gz AFXLDHYCAAHZMR-UHFFFAOYSA-N 0 3 425.558 2.687 50 0 IFAAHN CN1CCN(c2nnc(-n3cccc3CN3CCN(C4CCCCC4)CC3)s2)CC1 ZINC000021880786 523931733 /nfs/dbraw/zinc/93/17/33/523931733.db2.gz TXAKYWQSBIGXFG-UHFFFAOYSA-N 0 3 429.638 2.531 50 0 IFAAHN COc1ccc(CN(C)CC(=O)NC2CCN(Cc3ccccc3)CC2)c(OC)c1OC ZINC000012796471 524002204 /nfs/dbraw/zinc/00/22/04/524002204.db2.gz LETADDXCFIJYJK-UHFFFAOYSA-N 0 3 441.572 2.925 50 0 IFAAHN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)N[C@]32c3cccc(C)c3NC2=O)cc1 ZINC000035363890 524020272 /nfs/dbraw/zinc/02/02/72/524020272.db2.gz SWVRIMJCONVLAH-AJGMTHFWSA-N 0 3 433.508 2.580 50 0 IFAAHN COc1cccc([C@@H](CNCc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)N2CCCC2)c1 ZINC000022804918 524098944 /nfs/dbraw/zinc/09/89/44/524098944.db2.gz CWRNNFDPHSSPLM-NFBKMPQASA-N 0 3 446.617 2.795 50 0 IFAAHN Cc1cc(C)c(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1C ZINC000020991917 524263320 /nfs/dbraw/zinc/26/33/20/524263320.db2.gz FVXHUJMIJJSWAH-UHFFFAOYSA-N 0 3 432.572 2.906 50 0 IFAAHN COc1ccc([C@@H](CNC(=O)CSc2nnnn2-c2cc(C)ccc2C)N(C)C)cc1 ZINC000012643800 525182599 /nfs/dbraw/zinc/18/25/99/525182599.db2.gz CGNNWQSFFOJICP-HXUWFJFHSA-N 0 3 440.573 2.799 50 0 IFAAHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CN(C)C)c3ccccc3)CC2)cc1 ZINC000012920807 525520497 /nfs/dbraw/zinc/52/04/97/525520497.db2.gz WLPQWJYMGSDWJO-JOCHJYFZSA-N 0 3 429.586 2.815 50 0 IFAAHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H](c3ccccc3)N(C)C)CC2)cc1C ZINC000012568637 525539030 /nfs/dbraw/zinc/53/90/30/525539030.db2.gz MBUXFVHYCBDZHD-JOCHJYFZSA-N 0 3 444.601 2.622 50 0 IFAAHN Cc1ccc(C(=O)N(CCC(=O)N2CCNCC2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000035421920 526071249 /nfs/dbraw/zinc/07/12/49/526071249.db2.gz SBIDYNWSOIZOHD-UHFFFAOYSA-N 0 3 448.611 2.924 50 0 IFAAHN Cc1ccc2[nH]c3c(ncn(CC(=O)NC4CCN(Cc5ccccc5)CC4)c3=O)c2c1 ZINC000035423499 526111011 /nfs/dbraw/zinc/11/10/11/526111011.db2.gz IBPUYABCUZJSMN-UHFFFAOYSA-N 0 3 429.524 2.967 50 0 IFAAHN O=C(NC[C@@H]1CCCN(Cc2ccc(N3CCNC3=O)cc2)C1)c1ccc2c(c1)OCO2 ZINC000012701347 526513985 /nfs/dbraw/zinc/51/39/85/526513985.db2.gz DLDBIPUTIOBDNE-SFHVURJKSA-N 0 3 436.512 2.587 50 0 IFAAHN O=C(Cc1ccccc1)NCc1nnc2n1CCN(Cc1ccc3ncccc3c1)CC2 ZINC000012149624 527282113 /nfs/dbraw/zinc/28/21/13/527282113.db2.gz XIFQYETUVDBVAD-UHFFFAOYSA-N 0 3 426.524 2.744 50 0 IFAAHN NS(=O)(=O)c1ccc(CCNC(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000020730581 527308641 /nfs/dbraw/zinc/30/86/41/527308641.db2.gz HDASUEWRVILDOV-UHFFFAOYSA-N 0 3 449.576 2.714 50 0 IFAAHN O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC000020687403 527414045 /nfs/dbraw/zinc/41/40/45/527414045.db2.gz YEUJJMNALICLFC-UHFFFAOYSA-N 0 3 430.552 2.981 50 0 IFAAHN COc1cccc(C(=O)N2[C@@H](C(=O)NC3CCN(C)CC3)COC23CCC(C)CC3)c1 ZINC000034921157 555931525 /nfs/dbraw/zinc/93/15/25/555931525.db2.gz LOBOSVPKVFAUQT-SSSUMRQXSA-N 0 3 429.561 2.653 50 0 IFAAHN O=C(NCCN1CCOCC1)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000009850820 556313920 /nfs/dbraw/zinc/31/39/20/556313920.db2.gz MKLACUBEAVGYNY-UHFFFAOYSA-N 0 3 437.584 2.926 50 0 IFAAHN CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2c3ccc(OC)cc3[nH]c2C(=O)OC)C1 ZINC000004325454 556327600 /nfs/dbraw/zinc/32/76/00/556327600.db2.gz FYLZQLHJWXPYGZ-AWEZNQCLSA-N 0 3 431.489 2.567 50 0 IFAAHN Cc1ccccc1CC[NH+]1CCC(CN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C2CCCC2)CC1 ZINC000011759224 556349342 /nfs/dbraw/zinc/34/93/42/556349342.db2.gz ZOJYVCSVUQBUQY-QFIPXVFZSA-N 0 3 440.588 2.619 50 0 IFAAHN CCOc1cc(CN2CCC3(CC[C@H](CNC(=O)c4ccnn4C)O3)CC2)ccc1OC ZINC000011813987 556357622 /nfs/dbraw/zinc/35/76/22/556357622.db2.gz OTFGAIVWYFUFMR-LJQANCHMSA-N 0 3 442.560 2.771 50 0 IFAAHN COC(=O)C1CCN(C[C@H](O)COc2cccc(CNCc3ccc(F)cc3)c2)CC1 ZINC000011841835 556365547 /nfs/dbraw/zinc/36/55/47/556365547.db2.gz OKZGPYIBFGQNHM-QFIPXVFZSA-N 0 3 430.520 2.740 50 0 IFAAHN COC(=O)C1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3ccc(C)o3)c2)CC1 ZINC000011954356 556380751 /nfs/dbraw/zinc/38/07/51/556380751.db2.gz FDHVTAKBPGAKPR-OAQYLSRUSA-N 0 3 430.545 2.845 50 0 IFAAHN CCC(CC)CN1CCc2c(C(=O)N(C)Cc3cscn3)c(OC)cc(=O)n2CC1 ZINC000012039267 556390447 /nfs/dbraw/zinc/39/04/47/556390447.db2.gz UKFRBVMVWLLNOT-UHFFFAOYSA-N 0 3 432.590 2.880 50 0 IFAAHN CCOC(=O)c1cc(NC(=O)CNC[C@H](c2ccccc2)N(C)C)cc(C(=O)OCC)c1 ZINC000022930308 556403900 /nfs/dbraw/zinc/40/39/00/556403900.db2.gz JZCHNPWGTIIDRC-OAQYLSRUSA-N 0 3 441.528 2.871 50 0 IFAAHN CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000014539944 556425288 /nfs/dbraw/zinc/42/52/88/556425288.db2.gz KCGPAVVQYADXFM-UHFFFAOYSA-N 0 3 436.512 2.672 50 0 IFAAHN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1ccc(F)c(F)c1)C2 ZINC000014732720 556437212 /nfs/dbraw/zinc/43/72/12/556437212.db2.gz OQPKINVPLFMZFK-QGZVFWFLSA-N 0 3 432.515 2.937 50 0 IFAAHN COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccc(O)cc1)CC2 ZINC000014752201 556443704 /nfs/dbraw/zinc/44/37/04/556443704.db2.gz JBCIEEHGOJCOTN-UHFFFAOYSA-N 0 3 449.551 2.805 50 0 IFAAHN CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2 ZINC000014754965 556444689 /nfs/dbraw/zinc/44/46/89/556444689.db2.gz CZGMBQHHVKUYPB-UHFFFAOYSA-N 0 3 436.512 2.672 50 0 IFAAHN CCOc1ccc(N2C(=O)C[C@@H](NC3CCN(C(=O)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000014944071 556459490 /nfs/dbraw/zinc/45/94/90/556459490.db2.gz ODEGUFVMNIDHPZ-OAQYLSRUSA-N 0 3 439.487 2.751 50 0 IFAAHN CCN(CCN(C)C)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1COC ZINC000014961809 556464158 /nfs/dbraw/zinc/46/41/58/556464158.db2.gz JZLKGMUTGYWDRY-UHFFFAOYSA-N 0 3 434.544 2.598 50 0 IFAAHN O=C(Cc1ccccc1)NCc1nnc2n1CCN(Cc1cccc3cccnc31)CC2 ZINC000014988886 556474104 /nfs/dbraw/zinc/47/41/04/556474104.db2.gz VTPVCWLOPHFOPZ-UHFFFAOYSA-N 0 3 426.524 2.744 50 0 IFAAHN CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013130859 556480114 /nfs/dbraw/zinc/48/01/14/556480114.db2.gz HZTPYIISKLDEAS-UHFFFAOYSA-N 0 3 435.977 2.741 50 0 IFAAHN COc1cccc(-n2c(CNC(=O)[C@H]3CCOC(C)(C)C3)nnc2SCCN(C)C)c1 ZINC000015006066 556481506 /nfs/dbraw/zinc/48/15/06/556481506.db2.gz WSIWNHZUZFLPLP-INIZCTEOSA-N 0 3 447.605 2.751 50 0 IFAAHN COc1ccc2c(c1)C[C@@H](NC(=O)NCCCN1CCN(C3CCCCC3)CC1)CO2 ZINC000022938121 556508202 /nfs/dbraw/zinc/50/82/02/556508202.db2.gz FMVFMZZOSINUKF-HXUWFJFHSA-N 0 3 430.593 2.638 50 0 IFAAHN O=C(NCCCN(CCN1CCOCC1)Cc1cccs1)[C@@H]1COc2ccccc2C1 ZINC000022937982 556511378 /nfs/dbraw/zinc/51/13/78/556511378.db2.gz YMZNFPCGHZTFOI-NRFANRHFSA-N 0 3 443.613 2.640 50 0 IFAAHN Cc1nccn1CC(=O)N1CCC[C@@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000065265712 556523369 /nfs/dbraw/zinc/52/33/69/556523369.db2.gz YGDFBPOKSBSUJG-DEOSSOPVSA-N 0 3 429.528 2.893 50 0 IFAAHN O=C(NCCCN1CCc2ccccc2C1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000032398906 556537835 /nfs/dbraw/zinc/53/78/35/556537835.db2.gz XDXFXGRJISBIKM-UHFFFAOYSA-N 0 3 427.570 2.649 50 0 IFAAHN O=C(CCN1CCN(Cc2ccccc2)CC1)N1CCCc2c3cc(O)ccc3oc(=O)c21 ZINC000020035897 556538731 /nfs/dbraw/zinc/53/87/31/556538731.db2.gz MOUSOYJTLUGPLO-UHFFFAOYSA-N 0 3 447.535 2.986 50 0 IFAAHN Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)n1 ZINC000015671295 556542328 /nfs/dbraw/zinc/54/23/28/556542328.db2.gz KSEZMJZHRXAQNR-UHFFFAOYSA-N 0 3 435.981 2.940 50 0 IFAAHN Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cc1C ZINC000015671253 556542355 /nfs/dbraw/zinc/54/23/55/556542355.db2.gz YKKDOQMQRRJZMZ-UHFFFAOYSA-N 0 3 429.590 2.821 50 0 IFAAHN COc1ccc([C@@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NCCN2CCCC2)cc1 ZINC000015725595 556547124 /nfs/dbraw/zinc/54/71/24/556547124.db2.gz TUUYBJCVTRIGAX-XMMPIXPASA-N 0 3 446.551 2.944 50 0 IFAAHN COCCCN1CCCN([C@@H](C)C(=O)Nc2cccc(I)c2)CC1 ZINC000072308503 556565235 /nfs/dbraw/zinc/56/52/35/556565235.db2.gz SQHUZJQTFZSKCA-HNNXBMFYSA-N 0 3 445.345 2.662 50 0 IFAAHN CCOC(=O)C1C(CN2CCN(C)CC23CCCCC3)=NC(=O)N[C@@H]1c1ccccc1 ZINC000072308921 556568224 /nfs/dbraw/zinc/56/82/24/556568224.db2.gz GSCUQVMOUJKJRB-OAQYLSRUSA-N 0 3 426.561 2.808 50 0 IFAAHN CCOC(=O)C1=C(CN2CCN(C)CC23CCCCC3)NC(=O)N[C@@H]1c1ccccc1 ZINC000072308921 556568227 /nfs/dbraw/zinc/56/82/27/556568227.db2.gz GSCUQVMOUJKJRB-OAQYLSRUSA-N 0 3 426.561 2.808 50 0 IFAAHN CCN1CCN(Cc2ccc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)CC1 ZINC000032932412 556675677 /nfs/dbraw/zinc/67/56/77/556675677.db2.gz IWTXGBCKLUHFIS-UHFFFAOYSA-N 0 3 427.545 2.780 50 0 IFAAHN CN(C)CCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccccc3)s2)c1 ZINC000033027183 556704453 /nfs/dbraw/zinc/70/44/53/556704453.db2.gz VWXAKCFZEZWQBA-UHFFFAOYSA-N 0 3 425.514 2.661 50 0 IFAAHN COc1ccc(CN(C)Cc2ccc(C)cc2)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000019223827 556716280 /nfs/dbraw/zinc/71/62/80/556716280.db2.gz FMFWUPFIOPZQMB-HSZRJFAPSA-N 0 3 427.589 2.623 50 0 IFAAHN COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(C)c(C)c2)CC3)cc1 ZINC000019229172 556717787 /nfs/dbraw/zinc/71/77/87/556717787.db2.gz QRWYYWQFSMCIQR-UHFFFAOYSA-N 0 3 433.556 2.934 50 0 IFAAHN COc1ccc(-n2cc(CN3CCN(CCC(N)=O)CC3)c(-c3cccc(F)c3)n2)cc1 ZINC000019340514 556739781 /nfs/dbraw/zinc/73/97/81/556739781.db2.gz UPJFJIIPYIOXPJ-UHFFFAOYSA-N 0 3 437.519 2.680 50 0 IFAAHN CN(C)C[C@H](CNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@@H](O)c1ccccc1 ZINC000058146492 556761708 /nfs/dbraw/zinc/76/17/08/556761708.db2.gz XBGIHIPTYWXXSD-KXBFYZLASA-N 0 3 439.965 2.776 50 0 IFAAHN CN1CCCN(c2ccc(CNC(=O)Nc3cccc(OCCn4cccn4)c3)cn2)CC1 ZINC000058167278 556766977 /nfs/dbraw/zinc/76/69/77/556766977.db2.gz LCSOCFKJKRVELM-UHFFFAOYSA-N 0 3 449.559 2.821 50 0 IFAAHN Cc1ccc(NC(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)cc1Cl ZINC000067602094 556843656 /nfs/dbraw/zinc/84/36/56/556843656.db2.gz WXXOLPKQGCRCRW-UHFFFAOYSA-N 0 3 443.983 2.853 50 0 IFAAHN COc1cccc(C(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c1OC ZINC000072436913 556972683 /nfs/dbraw/zinc/97/26/83/556972683.db2.gz DZJWASGASDTCPC-UHFFFAOYSA-N 0 3 425.533 2.755 50 0 IFAAHN COc1ccccc1NC(=O)CCN1CCN(CCC(=O)Nc2ccccc2OC)CC1 ZINC000020266101 557004412 /nfs/dbraw/zinc/00/44/12/557004412.db2.gz KGPRHCPCQWQEFW-UHFFFAOYSA-N 0 3 440.544 2.679 50 0 IFAAHN CCc1c(C(=O)NC[C@@H]2COc3ccccc3O2)c(=O)cc(C)n1CCN1CCCCC1 ZINC000020271893 557004696 /nfs/dbraw/zinc/00/46/96/557004696.db2.gz GQZDMGUNBJXLSW-LJQANCHMSA-N 0 3 439.556 2.775 50 0 IFAAHN O=C(NCCc1nnc2n1CCN(Cc1ccccc1-c1ccco1)CC2)c1cccnc1 ZINC000020272426 557004998 /nfs/dbraw/zinc/00/49/98/557004998.db2.gz BFSLRHFEAZJZPK-UHFFFAOYSA-N 0 3 442.523 2.964 50 0 IFAAHN COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCN(C2CCCCC2)CC1 ZINC000020290891 557005737 /nfs/dbraw/zinc/00/57/37/557005737.db2.gz SWRYJJYDYFBNFI-UHFFFAOYSA-N 0 3 428.533 2.852 50 0 IFAAHN CCCNC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2C)ccc1N1CC[NH2+]CC1 ZINC000033275446 557054353 /nfs/dbraw/zinc/05/43/53/557054353.db2.gz VHDLCEDIELADGE-UHFFFAOYSA-N 0 3 444.601 2.962 50 0 IFAAHN Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CC[NH2+]CC3)c(C(=O)NC(C)C)c2)c1 ZINC000033275408 557054549 /nfs/dbraw/zinc/05/45/49/557054549.db2.gz WIQLUIMBHTYFIA-UHFFFAOYSA-N 0 3 430.574 2.652 50 0 IFAAHN CCN1CCN(CCNC(=O)CSc2nccnc2Sc2ccccc2C)CC1 ZINC000033289007 557066562 /nfs/dbraw/zinc/06/65/62/557066562.db2.gz VKVZPQPVLKBZJJ-UHFFFAOYSA-N 0 3 431.631 2.782 50 0 IFAAHN Cc1ccc(NC(=O)CC2C(=O)N(CCN3CCOCC3)c3nc4ccccc4n32)cc1 ZINC000023411661 557091381 /nfs/dbraw/zinc/09/13/81/557091381.db2.gz WFGLEYDWCYXWTG-OAQYLSRUSA-N 0 3 433.512 2.593 50 0 IFAAHN Cc1ccc2c(c1)N(C(=O)Cn1c(C)nc3c(c1=O)CN(Cc1ccccc1)CC3)CCO2 ZINC000049400811 557096335 /nfs/dbraw/zinc/09/63/35/557096335.db2.gz ZFSAQTNAZNTDJX-UHFFFAOYSA-N 0 3 444.535 2.844 50 0 IFAAHN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H](c3ccccc3)N3CCCC3)C2=O)cc1 ZINC000023737943 557112260 /nfs/dbraw/zinc/11/22/60/557112260.db2.gz TZAKCOCVUXEYLM-PXDATVDWSA-N 0 3 434.540 2.715 50 0 IFAAHN CCN(CC)[C@@H](Cn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O)c1cccc(OC)c1 ZINC000024948427 557182114 /nfs/dbraw/zinc/18/21/14/557182114.db2.gz SAILVXPITVTSGK-FQEVSTJZSA-N 0 3 425.485 2.568 50 0 IFAAHN CCc1ccc(-c2nn(Cc3ccccc3)cc2CNC[C@H](O)CN2CCOCC2)cc1 ZINC000013987358 557242334 /nfs/dbraw/zinc/24/23/34/557242334.db2.gz MHOAQGGSCVBCDP-VWLOTQADSA-N 0 3 434.584 2.944 50 0 IFAAHN O=C1C[C@@H](N2CCC(N3CCN(c4ccc(F)cc4)CC3)CC2)C(=O)N1c1ccccc1 ZINC000100191403 557247058 /nfs/dbraw/zinc/24/70/58/557247058.db2.gz IFDYZNHAAXEGOF-HSZRJFAPSA-N 0 3 436.531 2.744 50 0 IFAAHN C[C@@H]1CCCCN1CCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004003864 562940700 /nfs/dbraw/zinc/94/07/00/562940700.db2.gz PBEDSCNJJLEVCT-GOSISDBHSA-N 0 3 434.540 2.537 50 0 IFAAHN CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCC[NH+]3CCCCCC3)c([O-])c2c1 ZINC000008762848 562963967 /nfs/dbraw/zinc/96/39/67/562963967.db2.gz JGLNVYZABVCVBP-UHFFFAOYSA-N 0 3 448.589 2.577 50 0 IFAAHN CN(C)[C@H](CNC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3)c1ccccc1 ZINC000012951065 562983635 /nfs/dbraw/zinc/98/36/35/562983635.db2.gz IQXVPCMPQCYJEL-MRXNPFEDSA-N 0 3 442.610 2.995 50 0 IFAAHN CN(C[C@H]1CCCCN1C)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O ZINC000299762057 568755910 /nfs/dbraw/zinc/75/59/10/568755910.db2.gz RALZBRCSGHYPSD-GJZUVCINSA-N 0 3 448.567 2.611 50 0 IFAAHN COCc1c(C(=O)N(C)CCN(C)C)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000299794100 568757752 /nfs/dbraw/zinc/75/77/52/568757752.db2.gz JABCVBVDVMYUQO-UHFFFAOYSA-N 0 3 434.544 2.598 50 0 IFAAHN COc1cccc(-c2cc3n(n2)[C@@H](NCCCN2CCc4ccccc4C2)CNC3=O)c1 ZINC000263615647 568776161 /nfs/dbraw/zinc/77/61/61/568776161.db2.gz DKHDZFBTKLPXKU-XMMPIXPASA-N 0 3 431.540 2.839 50 0 IFAAHN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C(C)C)N[C@@]32c3cccc(C)c3NC2=O)cc1 ZINC000015968852 568861446 /nfs/dbraw/zinc/86/14/46/568861446.db2.gz SWVRIMJCONVLAH-KSYXXAMZSA-N 0 3 433.508 2.580 50 0 IFAAHN CCOCCCNCC(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C(=O)OCC ZINC000006205121 568880335 /nfs/dbraw/zinc/88/03/35/568880335.db2.gz FQLACMFEMRIRAY-UHFFFAOYSA-N 0 3 427.567 2.670 50 0 IFAAHN Cc1cc(CN(C)C)cc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000089585364 568938746 /nfs/dbraw/zinc/93/87/46/568938746.db2.gz GSZPGQXPSIRMMK-UHFFFAOYSA-N 0 3 445.585 2.649 50 0 IFAAHN Cc1onc2c1c(-c1ccc(Cl)cc1)nn(CC(=O)NCCN1CCCCC1)c2=O ZINC000064842088 568970609 /nfs/dbraw/zinc/97/06/09/568970609.db2.gz RHKJDDJPFHESNW-UHFFFAOYSA-N 0 3 429.908 2.615 50 0 IFAAHN CCCN1CCN(CCCNC(=O)CC2CCN(C(=O)NC3CCCCC3)CC2)CC1 ZINC000064847086 568972177 /nfs/dbraw/zinc/97/21/77/568972177.db2.gz XUNFVYKEYPBNQU-UHFFFAOYSA-N 0 3 435.657 2.665 50 0 IFAAHN O=C(NCCN1CCCCC1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036254960 568984848 /nfs/dbraw/zinc/98/48/48/568984848.db2.gz MXVWPLYGKGKYQY-QHCPKHFHSA-N 0 3 444.595 2.744 50 0 IFAAHN Cc1cccc(C(=O)N2CCN([C@@H](C(=O)NCCN3CCCCC3)C3CCCC3)CC2)c1 ZINC000036255101 568985039 /nfs/dbraw/zinc/98/50/39/568985039.db2.gz QROQNEUPWYNWEY-XMMPIXPASA-N 0 3 440.632 2.914 50 0 IFAAHN Cc1cccc(NC(=O)Nc2ccc(C)n(CC(=O)NCCN3CCCCC3)c2=O)c1 ZINC000169681254 568992897 /nfs/dbraw/zinc/99/28/97/568992897.db2.gz WLVYMZQJTLMKBD-UHFFFAOYSA-N 0 3 425.533 2.711 50 0 IFAAHN COc1ccc(-c2nc(-c3ccc(C(=O)NCCCN4CCN(C)CC4)s3)no2)cc1 ZINC000065062892 569097433 /nfs/dbraw/zinc/09/74/33/569097433.db2.gz XRODHWLFFNEXGL-UHFFFAOYSA-N 0 3 441.557 2.841 50 0 IFAAHN CCc1nc2c(c(=O)n1CC(=O)NCc1cccc(C)c1)CN(Cc1ccccc1)CC2 ZINC000065153592 569112058 /nfs/dbraw/zinc/11/20/58/569112058.db2.gz MBOSQXKQGZRNKM-UHFFFAOYSA-N 0 3 430.552 2.989 50 0 IFAAHN CCn1c(-c2cccc(C(=O)N3CCN(C4CCN(C)CC4)CC3)c2)nc2cccnc21 ZINC000065172710 569113272 /nfs/dbraw/zinc/11/32/72/569113272.db2.gz XRSMUQILQQZVTK-UHFFFAOYSA-N 0 3 432.572 2.970 50 0 IFAAHN CCN1CCC[C@@H]1CNC(=O)[C@@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000036594928 569121384 /nfs/dbraw/zinc/12/13/84/569121384.db2.gz MMCQWVLEAZAZPW-NVXWUHKLSA-N 0 3 425.558 2.806 50 0 IFAAHN O=C(c1ccco1)N1CCN(C(=O)c2nn(CCN3CCCCC3)c3ccccc32)CC1 ZINC000065254952 569122891 /nfs/dbraw/zinc/12/28/91/569122891.db2.gz HZDBYZJICYKSCN-UHFFFAOYSA-N 0 3 435.528 2.713 50 0 IFAAHN CN(CCNC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C)C1CC1 ZINC000089662701 569160978 /nfs/dbraw/zinc/16/09/78/569160978.db2.gz KUNPLUFNQGFDTL-NRFANRHFSA-N 0 3 441.576 2.578 50 0 IFAAHN COC1CCN(CCNC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)CC1 ZINC000079026222 569323009 /nfs/dbraw/zinc/32/30/09/569323009.db2.gz WVYGSJVUZQMWBD-UHFFFAOYSA-N 0 3 449.548 2.776 50 0 IFAAHN CCCN1CCN(CCCNC(=O)c2cc3c(s2)c2ccccc2n(C)c3=O)CC1 ZINC000020237846 569357509 /nfs/dbraw/zinc/35/75/09/569357509.db2.gz UWCWMHBEJMLFML-UHFFFAOYSA-N 0 3 426.586 2.901 50 0 IFAAHN CCN1CCC[C@H]1CNC(=O)Cn1ncc2c(C)n(Cc3ccc(F)cc3)c(C)c2c1=O ZINC000020417346 569364938 /nfs/dbraw/zinc/36/49/38/569364938.db2.gz SCKICWVDUFHROW-FQEVSTJZSA-N 0 3 439.535 2.603 50 0 IFAAHN Cc1cc(O)c(I)cc1CN1CCC(CN2CCOCC2)CC1 ZINC000095446137 569367261 /nfs/dbraw/zinc/36/72/61/569367261.db2.gz DLMNOOZSXDGZAM-UHFFFAOYSA-N 0 3 430.330 2.849 50 0 IFAAHN CN(C)CCOc1cc(NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)ccn1 ZINC000095448403 569367605 /nfs/dbraw/zinc/36/76/05/569367605.db2.gz ICJFSNROCMZAIY-KRWDZBQOSA-N 0 3 447.333 2.776 50 0 IFAAHN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cccc(CCN3CCN(C)CC3)c2)c1 ZINC000095458024 569369079 /nfs/dbraw/zinc/36/90/79/569369079.db2.gz OWAVZCXUHAFVNK-UHFFFAOYSA-N 0 3 437.544 2.646 50 0 IFAAHN CN(CCC1CCN(c2ccncc2)CC1)CC(=O)Nc1ccccc1SCC(N)=O ZINC000095458241 569369167 /nfs/dbraw/zinc/36/91/67/569369167.db2.gz LYTAEABCRPSISR-UHFFFAOYSA-N 0 3 441.601 2.836 50 0 IFAAHN Cc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1S(=O)(=O)NCc1ccccc1 ZINC000095466514 569370948 /nfs/dbraw/zinc/37/09/48/569370948.db2.gz FXRJAIMDHMSBDZ-FPOVZHCZSA-N 0 3 427.570 2.640 50 0 IFAAHN O=C(N[C@H](CCO)c1ccccc1Br)c1cnn(CCN2CCCCC2)c1 ZINC000096006456 569379367 /nfs/dbraw/zinc/37/93/67/569379367.db2.gz XOAGCLLUADNHDZ-LJQANCHMSA-N 0 3 435.366 2.985 50 0 IFAAHN CCc1nc2c(s1)c(C)nn(CC(=O)NC1CCN(Cc3ccccc3)CC1)c2=O ZINC000096400085 569400215 /nfs/dbraw/zinc/40/02/15/569400215.db2.gz RFOUEEVQTKESBG-UHFFFAOYSA-N 0 3 425.558 2.505 50 0 IFAAHN CCCCN(C(=O)CN1CCC[C@@H]2CCC[C@@H](C)[C@H]21)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000230032343 569418204 /nfs/dbraw/zinc/41/82/04/569418204.db2.gz WFTCTBMYTZPMNR-ZIFCJYIRSA-N 0 3 433.597 2.563 50 0 IFAAHN CCOC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NC3CCCCC3)C(=O)N21 ZINC000002967974 569433039 /nfs/dbraw/zinc/43/30/39/569433039.db2.gz YNPXAMJZDOQDLI-KRWDZBQOSA-N 0 3 442.541 2.780 50 0 IFAAHN O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1cccc(CN2CCCCC2)c1 ZINC000031620431 569456900 /nfs/dbraw/zinc/45/69/00/569456900.db2.gz QLGKUZXWCHKPHV-UHFFFAOYSA-N 0 3 426.542 2.740 50 0 IFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(Br)ccc1-n1cnnn1 ZINC000032095626 569459864 /nfs/dbraw/zinc/45/98/64/569459864.db2.gz FBXMUPRMYAMEKT-UHFFFAOYSA-N 0 3 441.333 2.819 50 0 IFAAHN COc1ccc([C@H](CNC(=O)CSc2nnnn2-c2cc(C)ccc2C)N(C)C)cc1 ZINC000009127388 569505162 /nfs/dbraw/zinc/50/51/62/569505162.db2.gz CGNNWQSFFOJICP-FQEVSTJZSA-N 0 3 440.573 2.799 50 0 IFAAHN CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccc(OC)cc3)nc1=O)CCC2 ZINC000009745453 569565671 /nfs/dbraw/zinc/56/56/71/569565671.db2.gz PAQVPAHNDIZBJR-UHFFFAOYSA-N 0 3 430.574 2.813 50 0 IFAAHN CCN1CCC[C@H]1CNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1c(F)cccc1F ZINC000008661111 132289300 /nfs/dbraw/zinc/28/93/00/132289300.db2.gz HUSYJKPYFMYEPF-RCDICMHDSA-N 0 3 430.455 2.763 50 0 IFAAHN Cc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(CCN2CCCCC2)c4=O)c(C)c1 ZINC000009157059 132307144 /nfs/dbraw/zinc/30/71/44/132307144.db2.gz PFQXHFQTGRNYSK-UHFFFAOYSA-N 0 3 436.560 2.541 50 0 IFAAHN CCCN1CCN(CCCNC(=O)c2ccc(CN3CCCn4nc(C)cc43)cc2)CC1 ZINC000020995967 519858220 /nfs/dbraw/zinc/85/82/20/519858220.db2.gz MZUFNBVSYGPYSK-UHFFFAOYSA-N 0 3 438.620 2.749 50 0 IFAAHN CCCN1CCN(CCCNC(=O)c2ccc(C[S@](=O)c3ccc(OC)cc3)o2)CC1 ZINC000020515021 519858310 /nfs/dbraw/zinc/85/83/10/519858310.db2.gz GBOSHHSQNHEWCB-WJOKGBTCSA-N 0 3 447.601 2.744 50 0 IFAAHN CCOC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000020559053 520513792 /nfs/dbraw/zinc/51/37/92/520513792.db2.gz YJHHOAKZHMEMSH-HXUWFJFHSA-N 0 3 432.590 2.870 50 0 IFAAHN CCOC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000020559055 520515512 /nfs/dbraw/zinc/51/55/12/520515512.db2.gz YJHHOAKZHMEMSH-FQEVSTJZSA-N 0 3 432.590 2.870 50 0 IFAAHN CCN1CCC[C@@H]1CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccc(OC)cc2CC3)c1C ZINC000012129874 521639856 /nfs/dbraw/zinc/63/98/56/521639856.db2.gz IVFNOSMQLKUSJY-LJQANCHMSA-N 0 3 446.555 2.959 50 0 IFAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2cn3cc(C)ccc3n2)CC1 ZINC000012299533 521654919 /nfs/dbraw/zinc/65/49/19/521654919.db2.gz QTMPBEBNCWOPFQ-FQEVSTJZSA-N 0 3 425.577 2.876 50 0 IFAAHN CCN1CCN(C[C@H](O)COc2ccc(CNCc3cccc(C)c3)cc2OC)CC1 ZINC000020907584 521686697 /nfs/dbraw/zinc/68/66/97/521686697.db2.gz BEZLZIHSFXXBJU-QHCPKHFHSA-N 0 3 427.589 2.671 50 0 IFAAHN CN(C)CCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccc(F)cc3)s2)cc1 ZINC000033032265 521784638 /nfs/dbraw/zinc/78/46/38/521784638.db2.gz WDWBBZRXTIIHFE-UHFFFAOYSA-N 0 3 443.504 2.800 50 0 IFAAHN CN(C)[C@@H](CNC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1ccccc1 ZINC000012922772 522013019 /nfs/dbraw/zinc/01/30/19/522013019.db2.gz AMPYGDDROPIKRH-JOCHJYFZSA-N 0 3 443.613 2.693 50 0 IFAAHN COC[C@H](C)N1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCc1ccccc1 ZINC000014747031 522598410 /nfs/dbraw/zinc/59/84/10/522598410.db2.gz MGKDKRXIEXDZKB-FQEVSTJZSA-N 0 3 436.556 2.958 50 0 IFAAHN COC(=O)C1CCN(Cc2ccc3c(c2)CN(C(=O)c2cc(C(C)C)[nH]n2)CCO3)CC1 ZINC000012240435 522916535 /nfs/dbraw/zinc/91/65/35/522916535.db2.gz JPCLFRMSCTVEEV-UHFFFAOYSA-N 0 3 440.544 2.953 50 0 IFAAHN COc1ccc(-c2ccc(=O)n(CC(=O)NC3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000044889739 523129786 /nfs/dbraw/zinc/12/97/86/523129786.db2.gz GPWCUQMLQSTZFY-UHFFFAOYSA-N 0 3 432.524 2.700 50 0 IFAAHN CN(Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn21)[C@H]1CCOC1 ZINC000012434153 523150634 /nfs/dbraw/zinc/15/06/34/523150634.db2.gz BGNVXCYPKXXZCG-FQEVSTJZSA-N 0 3 425.577 2.646 50 0 IFAAHN COc1ccc(C(=O)NCCc2nnc3n2CCN(C[C@@H](C)c2ccccc2)CC3)cc1 ZINC000012279627 523703172 /nfs/dbraw/zinc/70/31/72/523703172.db2.gz ZSOZCULSQJMEMD-LJQANCHMSA-N 0 3 433.556 2.921 50 0 IFAAHN COc1ccc(CN(C)Cc2ccc(C)o2)cc1OC[C@H](O)CN1CCCN(C)CC1 ZINC000020541341 524006335 /nfs/dbraw/zinc/00/63/35/524006335.db2.gz YWTBWPNFDKRTRW-OAQYLSRUSA-N 0 3 431.577 2.606 50 0 IFAAHN Cc1ccc(N2CCN(CCc3nc4cc(NS(C)(=O)=O)ccc4n3C)CC2)cc1 ZINC000020518634 524964571 /nfs/dbraw/zinc/96/45/71/524964571.db2.gz VHSNEFAPIRVJOK-UHFFFAOYSA-N 0 3 427.574 2.618 50 0 IFAAHN Cc1[nH]c(C(=O)N2CCC[C@@H](C(=O)NCCN3CCCCC3)C2)c(C)c1C(=O)OC(C)C ZINC000035422160 525410053 /nfs/dbraw/zinc/41/00/53/525410053.db2.gz NYUJEGOJIJAGTJ-LJQANCHMSA-N 0 3 446.592 2.651 50 0 IFAAHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3)N(C)C)CC2)cc1 ZINC000012809508 525518919 /nfs/dbraw/zinc/51/89/19/525518919.db2.gz PIOANVXAHAEHFE-QFIPXVFZSA-N 0 3 429.586 2.815 50 0 IFAAHN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000012919329 525561692 /nfs/dbraw/zinc/56/16/92/525561692.db2.gz AIDJXDWPOCVYKQ-UHFFFAOYSA-N 0 3 427.570 2.830 50 0 IFAAHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)CCc4nnc(C)[nH]4)C3)C2)c1OC ZINC000012303535 525940950 /nfs/dbraw/zinc/94/09/50/525940950.db2.gz RFBHNBPFMGMYGX-QHCPKHFHSA-N 0 3 427.549 2.578 50 0 IFAAHN Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000015727727 526794606 /nfs/dbraw/zinc/79/46/06/526794606.db2.gz QZRZKXWFYDVGCS-UHFFFAOYSA-N 0 3 435.528 2.762 50 0 IFAAHN Cc1nc(CN2CCN(Cc3ccccc3OC[C@@H](O)CN3CCCCC3)CC2)cs1 ZINC000020995349 526865786 /nfs/dbraw/zinc/86/57/86/526865786.db2.gz FTAINSZJEXFFJS-QHCPKHFHSA-N 0 3 444.645 2.995 50 0 IFAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 ZINC000021794583 526967599 /nfs/dbraw/zinc/96/75/99/526967599.db2.gz RMPWIKWAJCFNOT-UHFFFAOYSA-N 0 3 436.604 2.797 50 0 IFAAHN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012314007 527062586 /nfs/dbraw/zinc/06/25/86/527062586.db2.gz RQXOKBKZZRFBOP-NRFANRHFSA-N 0 3 442.581 2.689 50 0 IFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn(-c2ccc(Br)cc2)n1 ZINC000077100505 527533853 /nfs/dbraw/zinc/53/38/53/527533853.db2.gz FKMNACNRKOSQJH-UHFFFAOYSA-N 0 3 441.333 2.819 50 0 IFAAHN Cc1ccc(CN2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)o1 ZINC000001179463 555671191 /nfs/dbraw/zinc/67/11/91/555671191.db2.gz MMWNVBFWQDHFMJ-UHFFFAOYSA-N 0 3 425.529 2.873 50 0 IFAAHN CN(C)CCNC(=O)c1coc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000034684548 555820230 /nfs/dbraw/zinc/82/02/30/555820230.db2.gz JQUJYVABMACMPK-UHFFFAOYSA-N 0 3 447.583 2.873 50 0 IFAAHN CN(C)CCNC(=O)c1nnc(N2CCN(c3ccccc3Cl)CC2)c2ccccc21 ZINC000034838345 555914483 /nfs/dbraw/zinc/91/44/83/555914483.db2.gz IOXRXSHDNXONDN-UHFFFAOYSA-N 0 3 438.963 2.901 50 0 IFAAHN COc1cccc(NC(=O)[C@@H](NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)c1 ZINC000034863167 555925165 /nfs/dbraw/zinc/92/51/65/555925165.db2.gz FXDPPCSSWMCCOC-QFIPXVFZSA-N 0 3 439.537 2.855 50 0 IFAAHN CCN1CCC[C@@H]1CNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1c(F)cccc1F ZINC000003670164 555945438 /nfs/dbraw/zinc/94/54/38/555945438.db2.gz HUSYJKPYFMYEPF-JLCFBVMHSA-N 0 3 430.455 2.763 50 0 IFAAHN COc1cc(CNCCNC(=O)c2nonc2N)ccc1OCc1ccc(F)cc1Cl ZINC000009194472 556254558 /nfs/dbraw/zinc/25/45/58/556254558.db2.gz COPVTRMJYRWDAQ-UHFFFAOYSA-N 0 3 449.870 2.552 50 0 IFAAHN C[C@H](NC(=O)C1CCN(C)CC1)c1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2 ZINC000011813628 556357229 /nfs/dbraw/zinc/35/72/29/556357229.db2.gz VLRRUWPEHSIUNS-HNNXBMFYSA-N 0 3 448.974 2.648 50 0 IFAAHN COc1cc(CNCc2cccc(SC)c2)ccc1OC[C@@H](O)CN1CCC(O)CC1 ZINC000011840370 556364686 /nfs/dbraw/zinc/36/46/86/556364686.db2.gz FDCCCVIBTBVNNZ-NRFANRHFSA-N 0 3 446.613 2.903 50 0 IFAAHN O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000022930042 556403566 /nfs/dbraw/zinc/40/35/66/556403566.db2.gz IAHYMBCICRECRE-OAQYLSRUSA-N 0 3 449.624 2.805 50 0 IFAAHN CC(C)[C@H](C)N(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000032825566 556410887 /nfs/dbraw/zinc/41/08/87/556410887.db2.gz UVDSHMDKLUTVHW-INIZCTEOSA-N 0 3 427.998 2.682 50 0 IFAAHN CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1cnn(C)c1C)CC2 ZINC000014531728 556420660 /nfs/dbraw/zinc/42/06/60/556420660.db2.gz VTJAJUXWSNXGSK-UHFFFAOYSA-N 0 3 425.533 2.556 50 0 IFAAHN COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cccs3)CC2)C1=O ZINC000014534548 556422582 /nfs/dbraw/zinc/42/25/82/556422582.db2.gz UFIPTVYDOOFBNL-UHFFFAOYSA-N 0 3 441.553 2.763 50 0 IFAAHN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1ccc(F)cc1F)C2 ZINC000014536983 556423722 /nfs/dbraw/zinc/42/37/22/556423722.db2.gz BDXOUJCTLYYZHN-SFHVURJKSA-N 0 3 432.515 2.937 50 0 IFAAHN COC[C@H](C)N1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCc1ccccc1 ZINC000014538317 556424347 /nfs/dbraw/zinc/42/43/47/556424347.db2.gz DCBWURWTCFEVHQ-FQEVSTJZSA-N 0 3 436.556 2.958 50 0 IFAAHN COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1cccc(O)c1)CC2 ZINC000014732520 556437159 /nfs/dbraw/zinc/43/71/59/556437159.db2.gz BGQPQCRPNJCPKA-UHFFFAOYSA-N 0 3 449.551 2.805 50 0 IFAAHN CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](N1CCC(N3C[C@@H](C)O[C@@H](C)C3)CC1)C2 ZINC000014733526 556437910 /nfs/dbraw/zinc/43/79/10/556437910.db2.gz BBNQKFREYRNHNM-ZVDOUQERSA-N 0 3 443.636 2.570 50 0 IFAAHN COC[C@@H](C)N1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCc1ccccc1 ZINC000014747030 556441663 /nfs/dbraw/zinc/44/16/63/556441663.db2.gz MGKDKRXIEXDZKB-HXUWFJFHSA-N 0 3 436.556 2.958 50 0 IFAAHN COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1cnn(C)c1C)CC2 ZINC000014750260 556443355 /nfs/dbraw/zinc/44/33/55/556443355.db2.gz NDLSJJNUQPWFIJ-UHFFFAOYSA-N 0 3 439.560 2.564 50 0 IFAAHN COCCNC(=O)c1ccc(OC2CCN([C@H](C)CCC(=O)OC)CC2)c(Cl)c1 ZINC000014960758 556463821 /nfs/dbraw/zinc/46/38/21/556463821.db2.gz CFTWYYRCGWWZHT-OAHLLOKOSA-N 0 3 426.941 2.901 50 0 IFAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)CCN1CCCCO1 ZINC000014961398 556464174 /nfs/dbraw/zinc/46/41/74/556464174.db2.gz TTXRMXLUZCZXSI-NRFANRHFSA-N 0 3 434.600 2.845 50 0 IFAAHN CCN1CCC[C@H]1CNC(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 ZINC000014978421 556469646 /nfs/dbraw/zinc/46/96/46/556469646.db2.gz WKBKZFFMNSTCKU-SFHVURJKSA-N 0 3 429.561 2.689 50 0 IFAAHN COc1ccc(CCN2C[C@H](C(=O)NC[C@H](c3ccccc3)N(C)C)CC2=O)cc1OC ZINC000013130955 556480190 /nfs/dbraw/zinc/48/01/90/556480190.db2.gz NBHBYWWKRXIEAH-NHCUHLMSSA-N 0 3 439.556 2.514 50 0 IFAAHN Cc1cc(C)nc(N2CCC(N[C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)n1 ZINC000015021544 556488154 /nfs/dbraw/zinc/48/81/54/556488154.db2.gz ZGFHWTSDBWACSU-SFHVURJKSA-N 0 3 431.899 2.776 50 0 IFAAHN COc1ccc(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)c(OC)c1OC ZINC000030000159 556488956 /nfs/dbraw/zinc/48/89/56/556488956.db2.gz FHJZYMWNCRBJJR-HXUWFJFHSA-N 0 3 427.545 2.821 50 0 IFAAHN COc1ccc2c(c1)C[C@@H](NC(=O)NCCCN1CCN(Cc3ccccc3)CC1)CO2 ZINC000022938112 556508224 /nfs/dbraw/zinc/50/82/24/556508224.db2.gz JANOWEXRSMGTKM-JOCHJYFZSA-N 0 3 438.572 2.506 50 0 IFAAHN O=C(CC1C(=O)N(CCCN2CCOCC2)c2nc3ccccc3n21)Nc1ccccc1 ZINC000030937567 556515311 /nfs/dbraw/zinc/51/53/11/556515311.db2.gz DTZLBSDOIOUMMQ-OAQYLSRUSA-N 0 3 433.512 2.675 50 0 IFAAHN COCCNC(=O)[C@@H]1C[C@H](NCc2cccc(OC)c2)CN1Cc1ccccc1Cl ZINC000032578219 556540878 /nfs/dbraw/zinc/54/08/78/556540878.db2.gz GYJXQBUAALLQQI-UGKGYDQZSA-N 0 3 431.964 2.844 50 0 IFAAHN Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c1 ZINC000015671282 556542114 /nfs/dbraw/zinc/54/21/14/556542114.db2.gz HLYOWIWSNHAYAZ-UHFFFAOYSA-N 0 3 429.590 2.903 50 0 IFAAHN COc1ccc(C)cc1S(=O)(=O)N1CCN(c2cc(N3CCCCC3)nc(C)n2)CC1 ZINC000015671291 556542310 /nfs/dbraw/zinc/54/23/10/556542310.db2.gz FBNXOMLJPZNLGP-UHFFFAOYSA-N 0 3 445.589 2.603 50 0 IFAAHN Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)n1 ZINC000015671296 556542665 /nfs/dbraw/zinc/54/26/65/556542665.db2.gz JNKNZVMNZNYZJJ-UHFFFAOYSA-N 0 3 435.981 2.940 50 0 IFAAHN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000072308607 556565268 /nfs/dbraw/zinc/56/52/68/556565268.db2.gz IWPATACMEMXVCF-IBGZPJMESA-N 0 3 447.583 2.944 50 0 IFAAHN Cn1c2ccc([C@@H](O)COc3ccc(CNC[C@@H](O)c4ccccc4)cc3)cc2n(C)c1=O ZINC000040722018 556648062 /nfs/dbraw/zinc/64/80/62/556648062.db2.gz MBHLQFCSGCUVLA-RPBOFIJWSA-N 0 3 447.535 2.813 50 0 IFAAHN Cc1ccc(CN2CC[C@H](CNC(=O)CSc3nc4ccccc4n(C)c3=O)C2)cc1 ZINC000033006687 556655570 /nfs/dbraw/zinc/65/55/70/556655570.db2.gz MZMFYMAUHOOKNF-LJQANCHMSA-N 0 3 436.581 2.972 50 0 IFAAHN CCN1CCN(c2ccc(NC(=O)CNC(=O)c3ccc(OC(F)F)cc3)cc2)CC1 ZINC000011950811 556676234 /nfs/dbraw/zinc/67/62/34/556676234.db2.gz NIIQACHXSXVONX-UHFFFAOYSA-N 0 3 432.471 2.798 50 0 IFAAHN CCCN1CCN(c2ncnc3sc(C(=O)N4CCC5(CC4)OCCO5)c(C)c32)CC1 ZINC000033048389 556744682 /nfs/dbraw/zinc/74/46/82/556744682.db2.gz CMMXJJOADXZBNU-UHFFFAOYSA-N 0 3 445.589 2.511 50 0 IFAAHN CCN1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccc(OC)cc3OC)c(=O)c2C1 ZINC000062007129 556765327 /nfs/dbraw/zinc/76/53/27/556765327.db2.gz KUDTVEUDUWQFAX-UHFFFAOYSA-N 0 3 448.523 2.944 50 0 IFAAHN CC(C)CC(=O)N[C@@H](C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)C(C)C ZINC000058166280 556766577 /nfs/dbraw/zinc/76/65/77/556766577.db2.gz BWKPGIDAJORUFY-ZJSXRUAMSA-N 0 3 443.636 2.629 50 0 IFAAHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccccc1NC(=O)c1cccs1 ZINC000058217917 556772809 /nfs/dbraw/zinc/77/28/09/556772809.db2.gz IQGKCDGTAKALJZ-GOSISDBHSA-N 0 3 428.558 2.673 50 0 IFAAHN CCN1CCC[C@@H]1CNC(=O)C1CCN(C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000058377675 556783740 /nfs/dbraw/zinc/78/37/40/556783740.db2.gz IMMWMISTYZLZMZ-LJQANCHMSA-N 0 3 430.549 2.692 50 0 IFAAHN COc1ccc(NC(=O)c2nnc(CCC(=O)NCCN3CCCCCC3)s2)cc1 ZINC000033061855 556817462 /nfs/dbraw/zinc/81/74/62/556817462.db2.gz MIMGDAKLFYYBBE-UHFFFAOYSA-N 0 3 431.562 2.724 50 0 IFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000005603828 556829439 /nfs/dbraw/zinc/82/94/39/556829439.db2.gz HNHKOPQEENFDJK-UHFFFAOYSA-N 0 3 427.570 2.866 50 0 IFAAHN Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)n1 ZINC000065362460 556834227 /nfs/dbraw/zinc/83/42/27/556834227.db2.gz FYQJXQIWUWLBLP-UHFFFAOYSA-N 0 3 437.516 2.564 50 0 IFAAHN COc1ccc(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1NC(C)=O ZINC000065363231 556834922 /nfs/dbraw/zinc/83/49/22/556834922.db2.gz YFJDXEIUUIFQMW-UHFFFAOYSA-N 0 3 447.557 2.605 50 0 IFAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)n1 ZINC000067614254 556844899 /nfs/dbraw/zinc/84/48/99/556844899.db2.gz VBORMGCKCXNTRY-UHFFFAOYSA-N 0 3 443.983 2.853 50 0 IFAAHN CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(OC4CCN(C)CC4)cc3)ccc21 ZINC000067629460 556845135 /nfs/dbraw/zinc/84/51/35/556845135.db2.gz FDIKNMORYWPVQP-UHFFFAOYSA-N 0 3 443.569 2.547 50 0 IFAAHN CCOc1ccc(N2C(=O)C[C@H](NC3CCN(C(=O)c4cccs4)CC3)C2=O)cc1 ZINC000019890114 556939175 /nfs/dbraw/zinc/93/91/75/556939175.db2.gz UPCKZNZDINBZJJ-SFHVURJKSA-N 0 3 427.526 2.673 50 0 IFAAHN COc1ccc(C(=O)N2CCC(N[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)cc1 ZINC000019890112 556939225 /nfs/dbraw/zinc/93/92/25/556939225.db2.gz AIPMWMAWCQNJRO-HXUWFJFHSA-N 0 3 441.915 2.875 50 0 IFAAHN Cc1ccc(Oc2ccc(C(=O)N3CCN(c4cc(N(C)C)nc(C)n4)CC3)cc2)nn1 ZINC000072437297 556972695 /nfs/dbraw/zinc/97/26/95/556972695.db2.gz IZKSSDOPWCKYQD-UHFFFAOYSA-N 0 3 433.516 2.704 50 0 IFAAHN Cc1ccc(Oc2cccc(C(=O)N3CCN(c4cc(N(C)C)nc(C)n4)CC3)c2)nn1 ZINC000072442473 556973298 /nfs/dbraw/zinc/97/32/98/556973298.db2.gz REWHWVLMXPQIJD-UHFFFAOYSA-N 0 3 433.516 2.704 50 0 IFAAHN Cc1c(C(=O)N(CCN(C)C)Cc2ccco2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033266108 556976928 /nfs/dbraw/zinc/97/69/28/556976928.db2.gz NNOJRBAGPPZFRU-UHFFFAOYSA-N 0 3 442.589 2.549 50 0 IFAAHN CN1CCC(CN(CCc2ccccc2)C(=O)[C@@H](c2cccnc2)N2CCOCC2)CC1 ZINC000020204559 556998027 /nfs/dbraw/zinc/99/80/27/556998027.db2.gz UAWZSYPENMQHLR-RUZDIDTESA-N 0 3 436.600 2.868 50 0 IFAAHN CCc1c(C(=O)NC[C@H]2COc3ccccc3O2)c(=O)cc(C)n1CCN1CCCCC1 ZINC000020271895 557004767 /nfs/dbraw/zinc/00/47/67/557004767.db2.gz GQZDMGUNBJXLSW-IBGZPJMESA-N 0 3 439.556 2.775 50 0 IFAAHN O=C(NCCN1CCCCC1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000036255029 557005764 /nfs/dbraw/zinc/00/57/64/557005764.db2.gz BDVDLZAGTYETFJ-QHCPKHFHSA-N 0 3 444.595 2.744 50 0 IFAAHN CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CC[NH2+]CC3)c(C(=O)N(C)C)c2)cc1 ZINC000033275426 557054414 /nfs/dbraw/zinc/05/44/14/557054414.db2.gz WBSRVDFZUATKBU-UHFFFAOYSA-N 0 3 444.601 2.797 50 0 IFAAHN Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@H](N1CCN(C3CCCC3)CC1)C2 ZINC000023354215 557086676 /nfs/dbraw/zinc/08/66/76/557086676.db2.gz QHJPIYQAEKSURE-NRFANRHFSA-N 0 3 439.579 2.907 50 0 IFAAHN O=C(COc1coc(CN2CCCCC2)cc1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000049550283 557113310 /nfs/dbraw/zinc/11/33/10/557113310.db2.gz HVTAIJWKPCNJDP-UHFFFAOYSA-N 0 3 439.556 2.785 50 0 IFAAHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004791825 557125519 /nfs/dbraw/zinc/12/55/19/557125519.db2.gz LSLXTBQKBXEZKX-RTBURBONSA-N 0 3 448.567 2.925 50 0 IFAAHN O=C(COc1ccccc1CNC[C@@H](c1cccs1)N1CCOCC1)N1CCCC1 ZINC000025261335 557201508 /nfs/dbraw/zinc/20/15/08/557201508.db2.gz YUIZNSUQRYWBTH-FQEVSTJZSA-N 0 3 429.586 2.912 50 0 IFAAHN O=c1occ(C[NH+]2CCCCC2)c([O-])c1CN1CCN(CCOc2ccc(F)cc2)CC1 ZINC000101374232 557280975 /nfs/dbraw/zinc/28/09/75/557280975.db2.gz JKOKCYUFCICFQW-UHFFFAOYSA-N 0 3 445.535 2.667 50 0 IFAAHN CN(C)C1(CNc2c(=O)c(=O)c2N2CCN(c3cccc(Cl)c3)CC2)CCCCC1 ZINC000101701501 557293973 /nfs/dbraw/zinc/29/39/73/557293973.db2.gz DFPOCFWEMPUWFE-UHFFFAOYSA-N 0 3 430.980 2.939 50 0 IFAAHN O=C(CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 ZINC000019817574 557522577 /nfs/dbraw/zinc/52/25/77/557522577.db2.gz ZGQSDRDEQWKIGV-APWZRJJASA-N 0 3 448.479 2.903 50 0 IFAAHN O=C(CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 ZINC000019817570 557522719 /nfs/dbraw/zinc/52/27/19/557522719.db2.gz ZGQSDRDEQWKIGV-LPHOPBHVSA-N 0 3 448.479 2.903 50 0 IFAAHN COc1ccc(CN2CCOc3ccc([C@@](C)(O)CN(C)C)cc3C2)c(OC)c1OC ZINC000012031154 557524183 /nfs/dbraw/zinc/52/41/83/557524183.db2.gz DFYGTXJEPVAMHL-DEOSSOPVSA-N 0 3 430.545 2.876 50 0 IFAAHN CCCN1CCN(c2ccc(NC(=O)[C@H](C)NC(=O)c3ccoc3)c(OCC)c2)CC1 ZINC000225555785 557741928 /nfs/dbraw/zinc/74/19/28/557741928.db2.gz XWHDPRXJLPPXQN-KRWDZBQOSA-N 0 3 428.533 2.967 50 0 IFAAHN CS(=O)(=O)N1C[C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)C2(C1)CCCCC2 ZINC000096309573 557776588 /nfs/dbraw/zinc/77/65/88/557776588.db2.gz BXDPKRGBVBJEKD-NRFANRHFSA-N 0 3 433.618 2.609 50 0 IFAAHN O=C(C[S@](=O)Cc1ccco1)NC/C=C/COc1cc(CN2CCCCC2)ccn1 ZINC000003873058 557852496 /nfs/dbraw/zinc/85/24/96/557852496.db2.gz KMZQAVXSMUKBPD-RWODCLOBSA-N 0 3 431.558 2.661 50 0 in-vitro IFAAHN CC[C@H]1CCCCN1CCCNC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000009405572 562970157 /nfs/dbraw/zinc/97/01/57/562970157.db2.gz CCUMQWKSMZFGTK-INIZCTEOSA-N 0 3 430.574 2.759 50 0 IFAAHN COc1cccc(CN2CCC3(CC[C@@H](CNC(=O)c4cc(C)nn4C)O3)CC2)c1OC ZINC000012020244 562980334 /nfs/dbraw/zinc/98/03/34/562980334.db2.gz JVEXKCDWOKLDDX-IBGZPJMESA-N 0 3 442.560 2.689 50 0 IFAAHN O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(C2CCCCC2)CC1 ZINC000020116636 563023808 /nfs/dbraw/zinc/02/38/08/563023808.db2.gz WPCVWCFDQSXVHL-UHFFFAOYSA-N 0 3 432.590 2.789 50 0 IFAAHN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCNCC4)C3)nc3ccccc32)cc1 ZINC000247890933 568632270 /nfs/dbraw/zinc/63/22/70/568632270.db2.gz MTISEVDGFOSZHB-OAQYLSRUSA-N 0 3 447.583 2.737 50 0 IFAAHN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC2CCN(C)CC2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000001072576 568657746 /nfs/dbraw/zinc/65/77/46/568657746.db2.gz ADIWITQQNGFPAX-JOCHJYFZSA-N 0 3 442.512 2.851 50 0 IFAAHN COC(=O)c1ccc(NC(=O)C(=O)NCC2CCN(Cc3cc(C)oc3C)CC2)cc1 ZINC000043941129 568743695 /nfs/dbraw/zinc/74/36/95/568743695.db2.gz AMBHPSRDCWDLHT-UHFFFAOYSA-N 0 3 427.501 2.650 50 0 IFAAHN COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)NCCN(C)C)c3C3CC3)n2)c1 ZINC000299802393 568758152 /nfs/dbraw/zinc/75/81/52/568758152.db2.gz ZDWMJTSXPUUGSA-UHFFFAOYSA-N 0 3 436.516 2.515 50 0 IFAAHN O=C(Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCCN1CCCCCC1 ZINC000015722226 568812113 /nfs/dbraw/zinc/81/21/13/568812113.db2.gz MVQCGRKXRDAUHY-UHFFFAOYSA-N 0 3 446.617 2.808 50 0 IFAAHN COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCCN4CCCC4)CC3)[nH]c2c1 ZINC000015868679 568852209 /nfs/dbraw/zinc/85/22/09/568852209.db2.gz JFUUSYXZHPYWNS-KRWDZBQOSA-N 0 3 426.561 2.877 50 0 IFAAHN COc1c2c(c(CNC(=O)c3ccc(NC(=O)C(C)C)cc3)c3c1CN(C)CC3)OCO2 ZINC000524729545 568903996 /nfs/dbraw/zinc/90/39/96/568903996.db2.gz YASKHFOLIWPVQR-UHFFFAOYSA-N 0 3 439.512 2.936 50 0 IFAAHN O=C(CN1c2cc(-c3ccc(Cl)cc3)nn2CCC1=O)NCCN1CCCCCC1 ZINC000064817822 568964926 /nfs/dbraw/zinc/96/49/26/568964926.db2.gz CJZODHNSIIMOMS-UHFFFAOYSA-N 0 3 429.952 2.932 50 0 IFAAHN CN(CCNC(=O)c1cc(=O)nc2sc(N3CCCCCC3)nn21)C1CCCCC1 ZINC000064836647 568969436 /nfs/dbraw/zinc/96/94/36/568969436.db2.gz QHCXXYBKUXTTCD-UHFFFAOYSA-N 0 3 432.594 2.526 50 0 IFAAHN CN(C)CCNC(=O)[C@H]1COC2(CCCCC2)N1C(=O)c1ccccc1C(F)(F)F ZINC000006776757 568983621 /nfs/dbraw/zinc/98/36/21/568983621.db2.gz DWQDGWYTIMQKLO-QGZVFWFLSA-N 0 3 427.467 2.885 50 0 IFAAHN Cc1ccc2oc(=O)n(Cc3noc(C(=O)NC4CCN(Cc5ccccc5)CC4)n3)c2c1 ZINC000065111732 569107778 /nfs/dbraw/zinc/10/77/78/569107778.db2.gz WYNNQBBAJORUKF-UHFFFAOYSA-N 0 3 447.495 2.729 50 0 IFAAHN CCc1nc2c(c(=O)n1CC(=O)NCc1ccccc1F)CN(Cc1ccccc1)CC2 ZINC000065153596 569112068 /nfs/dbraw/zinc/11/20/68/569112068.db2.gz HTVFMQTYLRPZTD-UHFFFAOYSA-N 0 3 434.515 2.820 50 0 IFAAHN CCc1nc2c(c(=O)n1CC(=O)NCc1ccc(F)cc1)CN(Cc1ccccc1)CC2 ZINC000065153559 569112089 /nfs/dbraw/zinc/11/20/89/569112089.db2.gz ZQJVHLYMPKPTRY-UHFFFAOYSA-N 0 3 434.515 2.820 50 0 IFAAHN CCN1CCN(CCNC(=O)c2cccc3c2CCN3C(=O)Nc2cccc(C)c2)CC1 ZINC000065210084 569116536 /nfs/dbraw/zinc/11/65/36/569116536.db2.gz KZLSOVABHISXTO-UHFFFAOYSA-N 0 3 435.572 2.957 50 0 IFAAHN COc1ccc(-c2nnc(N3CCC(C(=O)NCCN4CCCC[C@H]4C)CC3)o2)cc1 ZINC000065229795 569118241 /nfs/dbraw/zinc/11/82/41/569118241.db2.gz USDFERPWYYCRRQ-QGZVFWFLSA-N 0 3 427.549 2.952 50 0 IFAAHN O=C(NCCN1CCCCCC1)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314113 569135507 /nfs/dbraw/zinc/13/55/07/569135507.db2.gz PVQQTYXTBPTLGY-QFIPXVFZSA-N 0 3 437.588 2.500 50 0 IFAAHN CN(C)C[C@@H](CNC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)[C@@H](O)c1ccccc1 ZINC000065491279 569138738 /nfs/dbraw/zinc/13/87/38/569138738.db2.gz SRMYXPRXYVKNIU-VLIAUNLRSA-N 0 3 432.908 2.704 50 0 IFAAHN CC(C)(CNC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)N1CCCCC1 ZINC000010080298 569152631 /nfs/dbraw/zinc/15/26/31/569152631.db2.gz VVVJXGBQFVTKAY-UHFFFAOYSA-N 0 3 443.013 2.620 50 0 IFAAHN COC(=O)c1ccccc1NC(=O)CSC1=N[C@H](c2c[nH]c3ccccc32)NC(=N)N1 ZINC000013579097 569156171 /nfs/dbraw/zinc/15/61/71/569156171.db2.gz XZALUMMUCXTOIM-GOSISDBHSA-N 0 3 436.497 2.599 50 0 IFAAHN Cc1cc([C@H](NCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C(C)C)c(C)s1 ZINC000252512276 569188894 /nfs/dbraw/zinc/18/88/94/569188894.db2.gz OQTSXKXUHFJUBJ-WAOWUJCRSA-N 0 3 442.647 2.846 50 0 IFAAHN O=C(Cc1ccccc1)N1CCC2(CC1)C[C@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000581819714 569211451 /nfs/dbraw/zinc/21/14/51/569211451.db2.gz DGUNLBGJGCZOLS-HSZRJFAPSA-N 0 3 434.584 2.987 50 0 IFAAHN Cc1ncccc1C(=O)N1CCC2(CC1)C[C@@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000581820152 569211797 /nfs/dbraw/zinc/21/17/97/569211797.db2.gz VEJZAUZGXKKLBJ-NRFANRHFSA-N 0 3 435.572 2.761 50 0 IFAAHN Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H](N2CCN(c4ccccn4)CC2)CCO3)cn1 ZINC000581820227 569211807 /nfs/dbraw/zinc/21/18/07/569211807.db2.gz ZQPBREZKXXQDOM-QFIPXVFZSA-N 0 3 435.572 2.761 50 0 IFAAHN CN(C)[C@H]1Cc2ccccc2N(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000078802961 569319038 /nfs/dbraw/zinc/31/90/38/569319038.db2.gz MQCYXOXIPVPOLG-NRFANRHFSA-N 0 3 441.597 2.923 50 0 IFAAHN CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccc(OC[C@@H](O)CN(C)C)cc2)cc1 ZINC000079066780 569324273 /nfs/dbraw/zinc/32/42/73/569324273.db2.gz TVHPXHHSXHPMDB-NRFANRHFSA-N 0 3 425.529 2.823 50 0 IFAAHN CCOC(=O)C1=C(CN2CCN([C@H](C)CC)CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020214053 569356439 /nfs/dbraw/zinc/35/64/39/569356439.db2.gz UGVYJNRRDPDBTH-QRWLVFNGSA-N 0 3 434.968 2.927 50 0 IFAAHN Cc1cc([C@H](NCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C(C)C)c(C)s1 ZINC000095462603 569370153 /nfs/dbraw/zinc/37/01/53/569370153.db2.gz OQTSXKXUHFJUBJ-LVCYWYKZSA-N 0 3 442.647 2.846 50 0 IFAAHN Cc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1S(=O)(=O)NCc1ccccc1 ZINC000095466513 569370961 /nfs/dbraw/zinc/37/09/61/569370961.db2.gz FXRJAIMDHMSBDZ-CTNGQTDRSA-N 0 3 427.570 2.640 50 0 IFAAHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CC[NH2+][C@H](CCc1ccccc1)Cc1ccccc1 ZINC000095943599 569375699 /nfs/dbraw/zinc/37/56/99/569375699.db2.gz WAVPTRYWKSAIBB-HXUWFJFHSA-N 0 3 445.610 2.857 50 0 IFAAHN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(CCN(C)C)Cc2ccccc2F)c1 ZINC000095966238 569377365 /nfs/dbraw/zinc/37/73/65/569377365.db2.gz SEILDLDTBPXDMM-UHFFFAOYSA-N 0 3 427.929 2.591 50 0 IFAAHN CC(C)COC(=O)N1CCCN(C[C@@H](C)N2CCCN(C(=O)OCC(C)C)CC2)CC1 ZINC000095977351 569377737 /nfs/dbraw/zinc/37/77/37/569377737.db2.gz SYNNDJRAAMWDLH-OAQYLSRUSA-N 0 3 440.629 2.976 50 0 IFAAHN O=C(NCc1ccccc1CN1CCC[C@@H]1CO)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000096011735 569379937 /nfs/dbraw/zinc/37/99/37/569379937.db2.gz BGSKLVSNAOEQGL-VJBWXMMDSA-N 0 3 427.589 2.688 50 0 IFAAHN O=C(NCc1ccccc1CN1CCC[C@@H]1CO)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000096011734 569379942 /nfs/dbraw/zinc/37/99/42/569379942.db2.gz BGSKLVSNAOEQGL-ZLNRFVROSA-N 0 3 427.589 2.688 50 0 IFAAHN COc1cc(N2C[C@@H](C(=O)Nc3ccccc3CN(C)C)CC2=O)cc(OC)c1OC ZINC000031231350 569455013 /nfs/dbraw/zinc/45/50/13/569455013.db2.gz PAIGPAPPAZBQAU-INIZCTEOSA-N 0 3 427.501 2.766 50 0 IFAAHN Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670459518 569460646 /nfs/dbraw/zinc/46/06/46/569460646.db2.gz IEMDFALNPWKFBS-FUBUYXNDSA-N 0 3 427.552 2.683 50 0 IFAAHN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CN2CCNCC2)C3=O)cc1Cl ZINC000039380668 569481535 /nfs/dbraw/zinc/48/15/35/569481535.db2.gz IPBDRBHWAYBXQQ-JOCHJYFZSA-N 0 3 442.972 2.791 50 0 IFAAHN CN(CCN1CCCC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000039461627 569481606 /nfs/dbraw/zinc/48/16/06/569481606.db2.gz OEOJWRQLJCASMH-XMMPIXPASA-N 0 3 434.584 2.598 50 0 IFAAHN COc1ccc(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)c(OC)c1OC ZINC000040081453 569486577 /nfs/dbraw/zinc/48/65/77/569486577.db2.gz FHJZYMWNCRBJJR-FQEVSTJZSA-N 0 3 427.545 2.821 50 0 IFAAHN COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCCN4CCCC[C@H]4C)C3)n2)cc1 ZINC000245257670 569501603 /nfs/dbraw/zinc/50/16/03/569501603.db2.gz CCXDYTNEXBOJFR-MJGOQNOKSA-N 0 3 427.549 2.952 50 0 IFAAHN NC(=O)c1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)N2CCCC2)cc1 ZINC000010334245 569581112 /nfs/dbraw/zinc/58/11/12/569581112.db2.gz RZXVAFSFBIBKLE-JOCHJYFZSA-N 0 3 430.508 2.831 50 0 IFAAHN CC(=O)N1CCCN(Cc2ccccc2OC[C@H](O)CN2CCc3ccccc3C2)CC1 ZINC000012716157 519530423 /nfs/dbraw/zinc/53/04/23/519530423.db2.gz DZDQKNOKXJJBKY-RUZDIDTESA-N 0 3 437.584 2.539 50 0 IFAAHN CC(C)c1c(C(=O)NCc2ccc(N3CCCN(C)CC3)nc2)cnn1-c1ccccn1 ZINC000058184290 519830680 /nfs/dbraw/zinc/83/06/80/519830680.db2.gz XZSUIUZGNKMZFU-UHFFFAOYSA-N 0 3 433.560 2.858 50 0 IFAAHN CC1CCN([C@@H](CNC(=O)NCc2ccc(S(N)(=O)=O)s2)c2cccs2)CC1 ZINC000012919134 521034751 /nfs/dbraw/zinc/03/47/51/521034751.db2.gz YTOFBJOXVUHVJU-HNNXBMFYSA-N 0 3 442.632 2.729 50 0 IFAAHN CCN1CCN(CCCNC(=O)c2ccc(C[S@@](=O)c3ccc(Cl)cc3)o2)CC1 ZINC000020514892 521681070 /nfs/dbraw/zinc/68/10/70/521681070.db2.gz VBFVEIDAHYOPEI-LJAQVGFWSA-N 0 3 437.993 2.998 50 0 IFAAHN CCN1CCN(C[C@@H](O)COc2ccc(CNCc3cccc(C)c3)cc2OC)CC1 ZINC000020907580 521685165 /nfs/dbraw/zinc/68/51/65/521685165.db2.gz BEZLZIHSFXXBJU-HSZRJFAPSA-N 0 3 427.589 2.671 50 0 IFAAHN CN(C)Cc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000012888120 521905955 /nfs/dbraw/zinc/90/59/55/521905955.db2.gz VHRMTCWTLDNSQQ-UHFFFAOYSA-N 0 3 433.549 2.992 50 0 IFAAHN COc1cc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc(Cl)c1[O-] ZINC000020999277 522381441 /nfs/dbraw/zinc/38/14/41/522381441.db2.gz AWPVZIKVMVDDLP-IBGZPJMESA-N 0 3 426.001 2.796 50 0 IFAAHN COc1cc(CNCc2cc(C(C)C)no2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000012091995 522464309 /nfs/dbraw/zinc/46/43/09/522464309.db2.gz ZHBNVPYDFRFDCD-SFHVURJKSA-N 0 3 435.590 2.885 50 0 IFAAHN COC(=O)C1CCN(C[C@H](O)COc2ccc(CN(C)Cc3ccccc3)cc2)CC1 ZINC000012439344 522916993 /nfs/dbraw/zinc/91/69/93/522916993.db2.gz LWUFDPUATYKFCD-QHCPKHFHSA-N 0 3 426.557 2.943 50 0 IFAAHN COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2cc(N(C)C)nc(C)n2)CC1 ZINC000021794645 523786884 /nfs/dbraw/zinc/78/68/84/523786884.db2.gz MONCZKJXMNMWBG-UHFFFAOYSA-N 0 3 447.605 2.668 50 0 IFAAHN COc1ccc(CN(C)Cc2nonc2C)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000012439841 524008574 /nfs/dbraw/zinc/00/85/74/524008574.db2.gz WWHBQZQJNUGFEG-OAQYLSRUSA-N 0 3 440.544 2.890 50 0 IFAAHN COc1cccc([C@H](CNCc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)N2CCCC2)c1 ZINC000022804906 524161348 /nfs/dbraw/zinc/16/13/48/524161348.db2.gz CWRNNFDPHSSPLM-OFNKIYASSA-N 0 3 446.617 2.795 50 0 IFAAHN Cc1cc(C)c(OC[C@@H](O)CN(CCO)C[C@@H](O)Cn2ccc3ccccc32)c(C)c1 ZINC000020807844 524310681 /nfs/dbraw/zinc/31/06/81/524310681.db2.gz CQQPPAXBZHIFBR-PKTZIBPZSA-N 0 3 426.557 2.662 50 0 IFAAHN Cc1cccc(CN2CCC(CNS(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)CC2)c1 ZINC000020491775 524386416 /nfs/dbraw/zinc/38/64/16/524386416.db2.gz UECWJEUPZYIGFO-UHFFFAOYSA-N 0 3 443.569 2.825 50 0 IFAAHN C[C@@H](CN1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1)c1ccccc1 ZINC000012097943 524632468 /nfs/dbraw/zinc/63/24/68/524632468.db2.gz FREKWMRLBGUJCC-IBGZPJMESA-N 0 3 435.547 2.980 50 0 IFAAHN COc1ccc(OC)c(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c1 ZINC000021795124 524858211 /nfs/dbraw/zinc/85/82/11/524858211.db2.gz KZQJSHMARJUSEI-UHFFFAOYSA-N 0 3 426.521 2.757 50 0 IFAAHN COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CNCc2cc(F)ccc2C)c1 ZINC000012591883 524967683 /nfs/dbraw/zinc/96/76/83/524967683.db2.gz CUGVICLSSMUPPG-QFIPXVFZSA-N 0 3 432.536 2.629 50 0 IFAAHN c1cc2c(c(CN3CCC[C@@H](N4CCN(Cc5ccc6c(c5)OCO6)CC4)C3)c1)OCO2 ZINC000020601143 526437931 /nfs/dbraw/zinc/43/79/31/526437931.db2.gz AAPAEUQGIOSHDO-OAQYLSRUSA-N 0 3 437.540 2.926 50 0 IFAAHN O=C(NC[C@H]1CCCN(Cc2ccc(N3CCNC3=O)cc2)C1)c1ccc2c(c1)OCO2 ZINC000012701353 526595005 /nfs/dbraw/zinc/59/50/05/526595005.db2.gz DLDBIPUTIOBDNE-GOSISDBHSA-N 0 3 436.512 2.587 50 0 IFAAHN O=C1C[C@@H](NCCCN2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000020458083 527019972 /nfs/dbraw/zinc/01/99/72/527019972.db2.gz AMGBDWDUFPVZLA-OAQYLSRUSA-N 0 3 444.938 2.913 50 0 IFAAHN Nc1nonc1C(=O)NCCNCc1ccc(OCc2ccccc2)c(Br)c1 ZINC000040744403 527580367 /nfs/dbraw/zinc/58/03/67/527580367.db2.gz BHDKUGVAEYOUQM-UHFFFAOYSA-N 0 3 446.305 2.513 50 0 IFAAHN Cc1c(C(=O)N2CCOC[C@@H]2C)nnn1-c1cccc2c1CCN(Cc1ccccc1)C2 ZINC000071889580 555725676 /nfs/dbraw/zinc/72/56/76/555725676.db2.gz KVIVSTRFLNAXJF-SFHVURJKSA-N 0 3 431.540 2.995 50 0 IFAAHN COc1c(C)cc(-c2ccc3nc(C(=O)NCCCN4CCN(C)CC4)cn3c2)cc1C ZINC000034831186 555912256 /nfs/dbraw/zinc/91/22/56/555912256.db2.gz PKRPUWRDTJNCFQ-UHFFFAOYSA-N 0 3 435.572 2.994 50 0 IFAAHN CCOC(=O)c1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccc(OC)cc34)C2=O)cc1 ZINC000008770331 556213363 /nfs/dbraw/zinc/21/33/63/556213363.db2.gz QBFIHIMIERYUPQ-OAQYLSRUSA-N 0 3 435.480 2.817 50 0 IFAAHN COc1ccc(C(=O)N2CCC(N[C@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)cc1 ZINC000009933866 556317237 /nfs/dbraw/zinc/31/72/37/556317237.db2.gz AIPMWMAWCQNJRO-FQEVSTJZSA-N 0 3 441.915 2.875 50 0 IFAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000032761332 556331545 /nfs/dbraw/zinc/33/15/45/556331545.db2.gz IJWMSYXUGFWSMN-FUHWJXTLSA-N 0 3 441.553 2.826 50 0 IFAAHN COc1ccc(-c2noc(CN3CCC(N4CCSCC4)CC3)n2)c(OC)c1OC ZINC000011661961 556343626 /nfs/dbraw/zinc/34/36/26/556343626.db2.gz ZLZTXFRYBNDIRJ-UHFFFAOYSA-N 0 3 434.562 2.776 50 0 IFAAHN CCN1CCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000014111374 556369868 /nfs/dbraw/zinc/36/98/68/556369868.db2.gz DWLKGHNZUKMITA-MRXNPFEDSA-N 0 3 447.523 2.707 50 0 IFAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1n[nH]c2c1CCC2 ZINC000011936712 556378883 /nfs/dbraw/zinc/37/88/83/556378883.db2.gz ZKVTXUAVHQQRMM-SFHVURJKSA-N 0 3 427.568 2.954 50 0 IFAAHN COc1cc2nc(N(C)C)c(CN(CCN(C)C)C(=O)C(C)C)cc2c(OC)c1OC ZINC000011971539 556382557 /nfs/dbraw/zinc/38/25/57/556382557.db2.gz DJZMFYRENVDTFL-UHFFFAOYSA-N 0 3 432.565 2.873 50 0 IFAAHN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000014247755 556407455 /nfs/dbraw/zinc/40/74/55/556407455.db2.gz WZHYIHLVTGQEFG-JOCHJYFZSA-N 0 3 445.585 2.709 50 0 IFAAHN COC[C@@H](C)N1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCc1ccccc1 ZINC000014538316 556424367 /nfs/dbraw/zinc/42/43/67/556424367.db2.gz DCBWURWTCFEVHQ-HXUWFJFHSA-N 0 3 436.556 2.958 50 0 IFAAHN CC(=O)Nc1ccc(CN2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3C)cc1 ZINC000014733341 556437463 /nfs/dbraw/zinc/43/74/63/556437463.db2.gz UUYJRITWWVESAI-UHFFFAOYSA-N 0 3 449.555 2.901 50 0 IFAAHN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1cc(F)ccc1F)C2 ZINC000014740532 556438053 /nfs/dbraw/zinc/43/80/53/556438053.db2.gz GMNJWSUANSTHJD-SFHVURJKSA-N 0 3 432.515 2.937 50 0 IFAAHN CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000014742742 556439350 /nfs/dbraw/zinc/43/93/50/556439350.db2.gz CDXMPALMLLIPKI-UHFFFAOYSA-N 0 3 436.512 2.583 50 0 IFAAHN COc1ccc(/C=C2\SC(=O)N(CCNC(=O)CN3CCCCCC3)C2=O)cc1OC ZINC000013061884 556450745 /nfs/dbraw/zinc/45/07/45/556450745.db2.gz CCSYLHAFTJVFBH-RGEXLXHISA-N 0 3 447.557 2.732 50 0 IFAAHN COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cccc3cccnc31)CC2 ZINC000014884875 556454799 /nfs/dbraw/zinc/45/47/99/556454799.db2.gz KQNNUVJIKMXBQR-FQEVSTJZSA-N 0 3 436.560 2.734 50 0 IFAAHN CN(C)CC(C)(C)CNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O ZINC000014987090 556473103 /nfs/dbraw/zinc/47/31/03/556473103.db2.gz PQXZZWTWDGHZKS-UHFFFAOYSA-N 0 3 430.593 2.907 50 0 IFAAHN CCCc1c(C(=O)NCCN(CC)CC)c(=O)cc(C)n1Cc1ccc2c(c1)OCO2 ZINC000014996958 556478209 /nfs/dbraw/zinc/47/82/09/556478209.db2.gz WBDZWWANMKCYMH-UHFFFAOYSA-N 0 3 427.545 2.958 50 0 IFAAHN COC(=O)c1ccc(CN2CCC[C@@H](CNC(=O)COc3ccccc3OC)C2)cc1 ZINC000015062463 556490638 /nfs/dbraw/zinc/49/06/38/556490638.db2.gz NKUHXQLROQTRSU-IBGZPJMESA-N 0 3 426.513 2.889 50 0 IFAAHN O=C(CC1C(=O)N(CCCN2CCOCC2)c2nc3ccccc3n21)Nc1ccccc1 ZINC000030937570 556515298 /nfs/dbraw/zinc/51/52/98/556515298.db2.gz DTZLBSDOIOUMMQ-NRFANRHFSA-N 0 3 433.512 2.675 50 0 IFAAHN NC(=O)c1cc([C@@H](O)CNC[C@H]2COc3ccccc3O2)ccc1OCc1ccccc1 ZINC000022589464 556578245 /nfs/dbraw/zinc/57/82/45/556578245.db2.gz MUDKZNGUXRBVIH-FPOVZHCZSA-N 0 3 434.492 2.828 50 0 IFAAHN COc1cc(OC)cc(C(=O)N[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C(C)C)c1 ZINC000032986424 556605977 /nfs/dbraw/zinc/60/59/77/556605977.db2.gz NEBZSJIUDGVDKL-OFNKIYASSA-N 0 3 439.556 2.849 50 0 IFAAHN CCOC(=O)c1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccc(OC)cc34)C2=O)cc1 ZINC000018223028 556687715 /nfs/dbraw/zinc/68/77/15/556687715.db2.gz QBFIHIMIERYUPQ-NRFANRHFSA-N 0 3 435.480 2.817 50 0 IFAAHN COc1ccccc1NC(=O)C1CC(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1 ZINC000061717468 556724407 /nfs/dbraw/zinc/72/44/07/556724407.db2.gz ASNKPJYSRCIXRC-HNNXBMFYSA-N 0 3 434.452 2.502 50 0 IFAAHN C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1F ZINC000079054119 556738183 /nfs/dbraw/zinc/73/81/83/556738183.db2.gz WGXOMGVFFROYDG-UZLBHIALSA-N 0 3 433.549 2.716 50 0 IFAAHN C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1F ZINC000079054119 556738187 /nfs/dbraw/zinc/73/81/87/556738187.db2.gz WGXOMGVFFROYDG-UZLBHIALSA-N 0 3 433.549 2.716 50 0 IFAAHN CC(C)CC(=O)N[C@H](C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)C(C)C ZINC000058166279 556766507 /nfs/dbraw/zinc/76/65/07/556766507.db2.gz BWKPGIDAJORUFY-QPPBQGQZSA-N 0 3 443.636 2.629 50 0 IFAAHN C[C@@H]1CN(c2ccc(NC(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)cc2F)C[C@H](C)O1 ZINC000058305110 556778740 /nfs/dbraw/zinc/77/87/40/556778740.db2.gz FLFBYGKGRXYZJP-LLGFUMIMSA-N 0 3 449.571 2.504 50 0 IFAAHN CC[C@@H](C)N(CCNC(=O)Cn1c2ccccc2n(CC)c(=O)c1=O)Cc1cccs1 ZINC000033068501 556823379 /nfs/dbraw/zinc/82/33/79/556823379.db2.gz UGWIQWDMOWJOMJ-QGZVFWFLSA-N 0 3 442.585 2.662 50 0 IFAAHN O=C(CN1CCC(CN2CCOCC2)CC1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000062581715 556837860 /nfs/dbraw/zinc/83/78/60/556837860.db2.gz RZSOWJKLDOUWFP-QHCPKHFHSA-N 0 3 449.039 2.637 50 0 IFAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000067622279 556844887 /nfs/dbraw/zinc/84/48/87/556844887.db2.gz VPPHAQIDWRZUON-UHFFFAOYSA-N 0 3 430.556 2.652 50 0 IFAAHN O=C(CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000019817563 556920260 /nfs/dbraw/zinc/92/02/60/556920260.db2.gz LGMMLZHDHGLVGR-CRAIPNDOSA-N 0 3 434.452 2.861 50 0 IFAAHN O=C(NCCN1CCCCC1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000036255032 557005917 /nfs/dbraw/zinc/00/59/17/557005917.db2.gz BDVDLZAGTYETFJ-HSZRJFAPSA-N 0 3 444.595 2.744 50 0 IFAAHN COCc1nn2c(c1-c1ccccc1)NC(=O)C2CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000072453369 557009689 /nfs/dbraw/zinc/00/96/89/557009689.db2.gz DAPTZHGJZZUVKN-KRWDZBQOSA-N 0 3 434.452 2.990 50 0 IFAAHN CCNC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2C)ccc1N1CC[NH2+]CC1 ZINC000033275445 557054495 /nfs/dbraw/zinc/05/44/95/557054495.db2.gz LLKZOKGUVFBCOB-UHFFFAOYSA-N 0 3 430.574 2.572 50 0 IFAAHN CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CC[NH2+]CC3)c(C(=O)N[C@H](C)CC)c2)cc1 ZINC000033275427 557054570 /nfs/dbraw/zinc/05/45/70/557054570.db2.gz HQIJPGUYMOTOLD-QGZVFWFLSA-N 0 3 444.601 2.988 50 0 IFAAHN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000022961923 557054861 /nfs/dbraw/zinc/05/48/61/557054861.db2.gz WBMCDQRDTOUATK-HSZRJFAPSA-N 0 3 441.597 2.544 50 0 IFAAHN C[C@H]1CCCCN1CCNC(=O)CN1CCc2ccccc2[C@@H]1C(=O)N1CCCCC1 ZINC000033312824 557097232 /nfs/dbraw/zinc/09/72/32/557097232.db2.gz KUKJTSMSPFATRG-GBXCKJPGSA-N 0 3 426.605 2.589 50 0 IFAAHN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H](c3ccccc3)N3CCCC3)C2=O)cc1 ZINC000023737953 557112374 /nfs/dbraw/zinc/11/23/74/557112374.db2.gz TZAKCOCVUXEYLM-OFVILXPXSA-N 0 3 434.540 2.715 50 0 IFAAHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004791817 557125562 /nfs/dbraw/zinc/12/55/62/557125562.db2.gz LSLXTBQKBXEZKX-KDURUIRLSA-N 0 3 448.567 2.925 50 0 IFAAHN CCOc1ccc(N2C(=O)C[C@H](NC3CCN(C(=O)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000096307052 557196625 /nfs/dbraw/zinc/19/66/25/557196625.db2.gz ODEGUFVMNIDHPZ-NRFANRHFSA-N 0 3 439.487 2.751 50 0 IFAAHN CCOC(=O)c1cccc(OC[C@H](O)CN2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000025306379 557203141 /nfs/dbraw/zinc/20/31/41/557203141.db2.gz SPEJKAUHWHEELZ-JOCHJYFZSA-N 0 3 430.520 2.950 50 0 IFAAHN Cc1noc(C)c1COc1cc(=O)n2c(c1C(=O)NCCN1CCCC1)CCCCC2 ZINC000583648778 557241550 /nfs/dbraw/zinc/24/15/50/557241550.db2.gz MCGMJKSKRCWITH-UHFFFAOYSA-N 0 3 428.533 2.584 50 0 IFAAHN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN(C)C)N2[C@@H]1c1cccs1 ZINC000103395155 557436379 /nfs/dbraw/zinc/43/63/79/557436379.db2.gz OMSIGBGKVGXCAV-GOSISDBHSA-N 0 3 434.587 2.954 50 0 IFAAHN Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000575316823 557462848 /nfs/dbraw/zinc/46/28/48/557462848.db2.gz HGRUCHIQNCPFPQ-HXUWFJFHSA-N 0 3 439.560 2.662 50 0 IFAAHN O=C(CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 ZINC000019817568 557522611 /nfs/dbraw/zinc/52/26/11/557522611.db2.gz ZGQSDRDEQWKIGV-QFBILLFUSA-N 0 3 448.479 2.903 50 0 IFAAHN COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCCN3CCCCCC3)CC2)c1C ZINC000045973978 557556088 /nfs/dbraw/zinc/55/60/88/557556088.db2.gz BYDXXGXSECEKPE-UHFFFAOYSA-N 0 3 446.592 2.653 50 0 IFAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000225399891 557718507 /nfs/dbraw/zinc/71/85/07/557718507.db2.gz IAEJXRQTVRMJLD-UNMCSNQZSA-N 0 3 425.554 2.983 50 0 IFAAHN O=C(C[S@@](=O)Cc1ccco1)NC/C=C/COc1cc(CN2CCCCC2)ccn1 ZINC000003873059 557852532 /nfs/dbraw/zinc/85/25/32/557852532.db2.gz KMZQAVXSMUKBPD-WULZAJPDSA-N 0 3 431.558 2.661 50 0 in-vitro IFAAHN CCOc1cc(C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc(OCC)c1OCC ZINC000008973449 562966422 /nfs/dbraw/zinc/96/64/22/562966422.db2.gz FVYLFLRUBJERMQ-UHFFFAOYSA-N 0 3 428.533 2.883 50 0 IFAAHN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCNCC4)C3)nc3ccccc32)cc1 ZINC000247890926 568632348 /nfs/dbraw/zinc/63/23/48/568632348.db2.gz MTISEVDGFOSZHB-NRFANRHFSA-N 0 3 447.583 2.737 50 0 IFAAHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)CCCn4cncn4)C3)C2)c1OC ZINC000015063603 568635318 /nfs/dbraw/zinc/63/53/18/568635318.db2.gz GEWMKPSQRACXPC-HSZRJFAPSA-N 0 3 427.549 2.590 50 0 IFAAHN CN(C)CCNC(=O)[C@@H]1C[C@@H](Sc2nccn2C)CN1Cc1c(F)cccc1Cl ZINC000299757045 568755459 /nfs/dbraw/zinc/75/54/59/568755459.db2.gz HVHJYSFFKZLCPE-KDOFPFPSSA-N 0 3 439.988 2.626 50 0 IFAAHN COCc1c(C(=O)NCCN2CCCC2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000299765909 568756257 /nfs/dbraw/zinc/75/62/57/568756257.db2.gz ZISLOSITNRZTIO-UHFFFAOYSA-N 0 3 446.555 2.790 50 0 IFAAHN Cc1ccc(CN2CC[C@@H](CNC(=O)CCc3nnc4ccc(N5CCCC5)nn43)C2)cc1 ZINC000015678736 568805447 /nfs/dbraw/zinc/80/54/47/568805447.db2.gz RMZVLCGEOVQVQC-NRFANRHFSA-N 0 3 447.587 2.604 50 0 IFAAHN CN(C)CCNC(=O)CCn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2 ZINC000085875610 568838187 /nfs/dbraw/zinc/83/81/87/568838187.db2.gz SNVMPLZZNMWMOM-UHFFFAOYSA-N 0 3 429.524 2.642 50 0 IFAAHN COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)C1S(=O)(=O)c1cc(OC)ccc1OC ZINC000575617058 568881742 /nfs/dbraw/zinc/88/17/42/568881742.db2.gz WOBVMJMVBONGCN-QGCDCVKKSA-N 0 3 447.509 2.609 50 0 IFAAHN O=C(NCCN1CCCCC1)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036255037 568985032 /nfs/dbraw/zinc/98/50/32/568985032.db2.gz YENBAAVCRADHQO-HSZRJFAPSA-N 0 3 444.595 2.744 50 0 IFAAHN CN(C)CCN(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)C1CC1 ZINC000036312216 568997510 /nfs/dbraw/zinc/99/75/10/568997510.db2.gz JFQUQGIUSDKSIC-UHFFFAOYSA-N 0 3 429.540 2.533 50 0 IFAAHN Cc1ccc(C)c(S(=O)(=O)N2CCC3(CC2)NCCN=C3NCc2ccccc2F)c1 ZINC000065074762 569099115 /nfs/dbraw/zinc/09/91/15/569099115.db2.gz KMQLBNZDPMJWOU-UHFFFAOYSA-N 0 3 444.576 2.757 50 0 IFAAHN CCc1nc2c(c(=O)n1CC(=O)NCc1ccc(OC)cc1)CN(Cc1ccccc1)CC2 ZINC000065153567 569111981 /nfs/dbraw/zinc/11/19/81/569111981.db2.gz ADOPLMQYFPKFNL-UHFFFAOYSA-N 0 3 446.551 2.689 50 0 IFAAHN CCOC(=O)N1CCC(NC(=O)c2cccc(N3CCN[C@H](c4ccccc4)C3)n2)CC1 ZINC000065256331 569123208 /nfs/dbraw/zinc/12/32/08/569123208.db2.gz GVZFWOSEHCEQBO-NRFANRHFSA-N 0 3 437.544 2.583 50 0 IFAAHN O=C(NCCN1CCCC1)[C@H]1CN(S(=O)(=O)c2cccs2)CC12CCCCC2 ZINC000065259862 569124863 /nfs/dbraw/zinc/12/48/63/569124863.db2.gz DXRMVYKGKPVUIH-QGZVFWFLSA-N 0 3 425.620 2.531 50 0 IFAAHN COc1c2c(c(CNC(=O)c3cccc(NC(=O)C(C)C)c3)c3c1CN(C)CC3)OCO2 ZINC000524731793 569126649 /nfs/dbraw/zinc/12/66/49/569126649.db2.gz KPJWCJTWODEFAW-UHFFFAOYSA-N 0 3 439.512 2.936 50 0 IFAAHN COc1ccc(Cn2c3cc(C(=O)NC4CCN(C)CC4)ccc3n3nccc3c2=O)cc1 ZINC000065270987 569127806 /nfs/dbraw/zinc/12/78/06/569127806.db2.gz CZIJOSBRRSWMMB-UHFFFAOYSA-N 0 3 445.523 2.530 50 0 IFAAHN Cc1scc2nc(C(=O)NCCCN3CCN(C)CC3)nc(N3CCC(C)CC3)c12 ZINC000065283253 569130163 /nfs/dbraw/zinc/13/01/63/569130163.db2.gz ZLWZRWMVOYWRHN-UHFFFAOYSA-N 0 3 430.622 2.603 50 0 IFAAHN C[NH+](C)CCn1ccc2cc(NC(=O)CNC(=O)c3c[n-]c4ccccc4c3=O)ccc21 ZINC000065317324 569134423 /nfs/dbraw/zinc/13/44/23/569134423.db2.gz VQIIQCLLTFENRU-UHFFFAOYSA-N 0 3 431.496 2.825 50 0 IFAAHN Cn1ccnc1COc1ccc(C(=O)Nc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC000065604810 569140090 /nfs/dbraw/zinc/14/00/90/569140090.db2.gz PYBYPTCGFQKWOP-HXUWFJFHSA-N 0 3 447.539 2.949 50 0 IFAAHN Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000170598139 569142233 /nfs/dbraw/zinc/14/22/33/569142233.db2.gz QRNTUWLEBDHYHH-UHFFFAOYSA-N 0 3 447.649 2.722 50 0 IFAAHN CCN1CCN([C@@H]2CCN(Cc3nc(-c4ccc(OC(F)F)c(OC)c4)no3)C2)CC1 ZINC000089977317 569169369 /nfs/dbraw/zinc/16/93/69/569169369.db2.gz WJGCXLAAYCGWTC-MRXNPFEDSA-N 0 3 437.491 2.558 50 0 IFAAHN C[C@@H]1CN(c2ccc(NC(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)cc2F)C[C@@H](C)O1 ZINC000252458403 569184445 /nfs/dbraw/zinc/18/44/45/569184445.db2.gz FLFBYGKGRXYZJP-LZJOCLMNSA-N 0 3 449.571 2.504 50 0 IFAAHN CN1CC[C@@H](NCC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)[C@@H]1c1ccccc1 ZINC000252535850 569189879 /nfs/dbraw/zinc/18/98/79/569189879.db2.gz HANQKENKIZAUFV-GGAORHGYSA-N 0 3 438.597 2.849 50 0 IFAAHN COc1cccc(C(=O)/N=c2\scc(C)n2Cc2ccc(C(=O)NCCN(C)C)o2)c1 ZINC000037436202 569196100 /nfs/dbraw/zinc/19/61/00/569196100.db2.gz PIRPKWIJWLILSR-GYHWCHFESA-N 0 3 442.541 2.540 50 0 IFAAHN CN(C)CCN(C[C@H]1CN(C(=O)c2ccc(F)cc2)CCO1)C(=O)c1ccc(F)cc1 ZINC000037609441 569202939 /nfs/dbraw/zinc/20/29/39/569202939.db2.gz ZTYKTEISCBIULR-NRFANRHFSA-N 0 3 431.483 2.510 50 0 IFAAHN CC(C)CN1CCN([C@H]2CCOC3(CCN(S(=O)(=O)c4ccccc4)CC3)C2)CC1 ZINC000581819784 569211618 /nfs/dbraw/zinc/21/16/18/569211618.db2.gz KTGDRHRRYYRDOF-NRFANRHFSA-N 0 3 435.634 2.663 50 0 IFAAHN CC(C)N1CCN([C@@H]2CCOC3(CCN(C(=O)COc4ccc(F)cc4)CC3)C2)CC1 ZINC000581819759 569211640 /nfs/dbraw/zinc/21/16/40/569211640.db2.gz ISHUWGVPJPVWML-OAQYLSRUSA-N 0 3 433.568 2.771 50 0 IFAAHN CC(C)N1CCN([C@H]2CCOC3(CCN(C(=O)COc4ccc(F)cc4)CC3)C2)CC1 ZINC000581819758 569211648 /nfs/dbraw/zinc/21/16/48/569211648.db2.gz ISHUWGVPJPVWML-NRFANRHFSA-N 0 3 433.568 2.771 50 0 IFAAHN O=S(=O)(NCC1CCN(C[C@H](O)c2ccccc2)CC1)c1cccc2cccnc21 ZINC000095433130 569366503 /nfs/dbraw/zinc/36/65/03/569366503.db2.gz MCIMAEJUAXZTTF-NRFANRHFSA-N 0 3 425.554 2.959 50 0 IFAAHN CCN1CCN(Cc2ccccc2CNS(=O)(=O)c2ccc3c(c2)CCCO3)CC1 ZINC000095458812 569369176 /nfs/dbraw/zinc/36/91/76/569369176.db2.gz GYSQOAHUZRLXGZ-UHFFFAOYSA-N 0 3 429.586 2.628 50 0 IFAAHN Cn1c(CN2CCCCC2)cc(=O)c(O)c1CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000095477422 569373260 /nfs/dbraw/zinc/37/32/60/569373260.db2.gz QMQROJKJKXFJNV-DHZHZOJOSA-N 0 3 436.600 2.908 50 0 IFAAHN COc1ccccc1-c1ccc(=O)n(CC(=O)NC2CCN(Cc3ccccc3)CC2)n1 ZINC000095479291 569373653 /nfs/dbraw/zinc/37/36/53/569373653.db2.gz YLQOCQRQYZWUNC-UHFFFAOYSA-N 0 3 432.524 2.700 50 0 IFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000096344259 569397046 /nfs/dbraw/zinc/39/70/46/569397046.db2.gz YFJYUYZYERXWEV-KRWDZBQOSA-N 0 3 435.503 2.836 50 0 IFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2ncnc(N3CCOCC3)c2c1 ZINC000096399986 569400231 /nfs/dbraw/zinc/40/02/31/569400231.db2.gz NKOULXDPSBQVPU-UHFFFAOYSA-N 0 3 431.540 2.861 50 0 IFAAHN Cc1nn(CC(=O)NCCN2CCCCCC2)c(=O)c2nc(-c3ccccc3)sc21 ZINC000096400179 569400347 /nfs/dbraw/zinc/40/03/47/569400347.db2.gz MJAHFXVZLPBEMF-UHFFFAOYSA-N 0 3 425.558 2.821 50 0 IFAAHN CN(CCNC(=O)C[C@H](C(=O)N1CCc2ccccc21)n1ccnc1)Cc1ccccc1 ZINC000003046188 569438704 /nfs/dbraw/zinc/43/87/04/569438704.db2.gz ICQQRPNXZZLVJF-HSZRJFAPSA-N 0 3 431.540 2.652 50 0 IFAAHN CNS(=O)(=O)c1ccc(CCC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1 ZINC000058108610 569447593 /nfs/dbraw/zinc/44/75/93/569447593.db2.gz YRZOLVNRTJRXNQ-QFIPXVFZSA-N 0 3 429.586 2.789 50 0 IFAAHN CN1CCCN(c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cn2)CC1 ZINC000003455659 569451766 /nfs/dbraw/zinc/45/17/66/569451766.db2.gz CRASDDHLSDMQQP-UHFFFAOYSA-N 0 3 428.602 2.867 50 0 IFAAHN CC(C)C[C@H](N)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000004083684 569458685 /nfs/dbraw/zinc/45/86/85/569458685.db2.gz QCCOGVDURJXZER-UWJYYQICSA-N 0 3 430.593 2.865 50 0 IFAAHN Cc1ccc(-c2cc(C(=O)N[C@@H]3C4CN5CC3(c3ccccc3)CN(C4)CC5)[nH]n2)cc1 ZINC000670458624 569459965 /nfs/dbraw/zinc/45/99/65/569459965.db2.gz FDYNUICYLLLGJG-CNKRIOBRSA-N 0 3 427.552 2.683 50 0 IFAAHN Cc1nc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(N2CCOCC2)n1 ZINC000038488297 569463011 /nfs/dbraw/zinc/46/30/11/569463011.db2.gz BGNVQXJMCNNDGU-UHFFFAOYSA-N 0 3 433.940 2.661 50 0 IFAAHN CCOC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@H]1c1cccc(F)c1 ZINC000067287276 569467230 /nfs/dbraw/zinc/46/72/30/569467230.db2.gz DZRATKYHBLYJOL-QFIPXVFZSA-N 0 3 444.551 2.947 50 0 IFAAHN COc1cc(=O)c(C(=O)N2CCC(N3CCCCC3)CC2)nn1-c1ccc(F)c(F)c1 ZINC000067350199 569469043 /nfs/dbraw/zinc/46/90/43/569469043.db2.gz QEBLNYWMUMHZDF-UHFFFAOYSA-N 0 3 432.471 2.610 50 0 IFAAHN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)NCCCN1CCOCC1)C[C@@H](C)CC2 ZINC000008709273 569470762 /nfs/dbraw/zinc/47/07/62/569470762.db2.gz LTTHSDCYRHEPRZ-HOTGVXAUSA-N 0 3 437.606 2.689 50 0 IFAAHN CCn1c(=O)[n-]c(=O)c2c(C(=O)NCCCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc(C(C)C)nc21 ZINC000040146759 569492353 /nfs/dbraw/zinc/49/23/53/569492353.db2.gz BDONJYRNUMUOSU-IAGOWNOFSA-N 0 3 443.592 2.716 50 0 IFAAHN C[C@@H]1CCCCN1CCNC(=O)CN1CCc2ccccc2[C@H]1C(=O)N1CCCCC1 ZINC000245237933 569500435 /nfs/dbraw/zinc/50/04/35/569500435.db2.gz KUKJTSMSPFATRG-YKSBVNFPSA-N 0 3 426.605 2.589 50 0 IFAAHN O=C(Cn1cc(C(=O)C(=O)NCCCN2CCCCC2)c2ccccc21)N1CCCCC1 ZINC000009519453 569544290 /nfs/dbraw/zinc/54/42/90/569544290.db2.gz XYXVPTJKMVZJGS-UHFFFAOYSA-N 0 3 438.572 2.829 50 0 IFAAHN CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000009528404 569544709 /nfs/dbraw/zinc/54/47/09/569544709.db2.gz ZUAMXSYPLBZUQP-HXUWFJFHSA-N 0 3 435.615 2.832 50 0 IFAAHN CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000009528442 569544723 /nfs/dbraw/zinc/54/47/23/569544723.db2.gz GNLQADVFUSAYGP-HXUWFJFHSA-N 0 3 435.615 2.616 50 0 IFAAHN CCN(CC)c1ccc2nnc(CCC(=O)NC[C@H]3CCN(Cc4ccc(C)cc4)C3)n2n1 ZINC000009742731 569565406 /nfs/dbraw/zinc/56/54/06/569565406.db2.gz QZZCIOVTBQOSGL-OAQYLSRUSA-N 0 3 449.603 2.850 50 0 IFAAHN