smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CCS(=O)(=O)NCC2(c3ccsc3)CCCC2)cc1 ZINC000217484337 205938057 /nfs/dbraw/zinc/93/80/57/205938057.db2.gz CDYNGUVZBWXVCR-UHFFFAOYSA-N 0 0 379.547 3.731 50 70 GHIARN O=C(N[C@@H]1CCc2ccccc21)c1nnn(Cc2ccccc2)c1-c1ccncc1 ZINC000217472272 205938500 /nfs/dbraw/zinc/93/85/00/205938500.db2.gz XOCPYLZYFNJSTD-OAQYLSRUSA-N 0 0 395.466 3.806 50 70 GHIARN CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(CSc2ccc(C)cc2)o1 ZINC000218439842 570333969 /nfs/dbraw/zinc/33/39/69/570333969.db2.gz CFESOGXDURPJDA-IEBWSBKVSA-N 0 0 375.490 3.804 50 70 GHIARN Cc1nc(-c2cccc(NC(=O)Cc3ccc(Br)c(F)c3)c2)n[nH]1 ZINC000159738819 570747806 /nfs/dbraw/zinc/74/78/06/570747806.db2.gz HIWGNIKRCHWITI-UHFFFAOYSA-N 0 0 389.228 3.863 50 70 GHIARN O=C(CCSc1ccccc1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217656374 205940248 /nfs/dbraw/zinc/94/02/48/205940248.db2.gz ZXRXJXKSPYUAJM-GOSISDBHSA-N 0 0 378.501 3.901 50 70 GHIARN O=C(c1cccc(Br)c1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217662816 205940729 /nfs/dbraw/zinc/94/07/29/205940729.db2.gz LAGAIDJLGUDKNQ-KRWDZBQOSA-N 0 0 397.276 3.795 50 70 GHIARN CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)NCc1ccccc1Cl ZINC000218232987 570328257 /nfs/dbraw/zinc/32/82/57/570328257.db2.gz DEXXKJGXJZBORH-INIZCTEOSA-N 0 0 378.929 3.597 50 70 GHIARN CS(=O)(=O)N(Cc1noc(C2CCCCC2)n1)c1ccc(Cl)cc1F ZINC000160627838 570328700 /nfs/dbraw/zinc/32/87/00/570328700.db2.gz UFNFKYLARPUCMW-UHFFFAOYSA-N 0 0 387.864 3.876 50 70 GHIARN O=C(NCCc1cccc(F)c1)[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000218266777 570329470 /nfs/dbraw/zinc/32/94/70/570329470.db2.gz WLSXOCHWAZGBRO-IBGZPJMESA-N 0 0 393.462 3.518 50 70 GHIARN CC[C@H](C)[C@H](NC(=O)[C@H](C)N1Cc2ccccc2C1=O)c1nc2ccccc2[nH]1 ZINC000218177687 570327140 /nfs/dbraw/zinc/32/71/40/570327140.db2.gz HPSQUCXZDZTESF-AVYPCKFXSA-N 0 0 390.487 3.811 50 70 GHIARN CC(C)Cn1c2ccccc2cc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)c1=O ZINC000217698369 205939901 /nfs/dbraw/zinc/93/99/01/205939901.db2.gz VFUPMCWGVGXUCE-OAHLLOKOSA-N 0 0 391.423 3.827 50 70 biogenic GHIARN COc1ccc(CNc2nc(C(=O)N3CCc4ccccc4C3)cs2)cc1 ZINC000218344386 205948102 /nfs/dbraw/zinc/94/81/02/205948102.db2.gz HPYLOKPYUSFKHV-UHFFFAOYSA-N 0 0 379.485 3.962 50 70 GHIARN COC(=O)C[C@@H]1c2cc3c(cc2Oc2nc4cc(OC)ccc4cc21)OCO3 ZINC000217932491 205943537 /nfs/dbraw/zinc/94/35/37/205943537.db2.gz DLKAUJRENNUIAC-CYBMUJFWSA-N 0 0 379.368 3.773 50 70 biogenic GHIARN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCc1c(F)cccc1F ZINC000218158211 570326456 /nfs/dbraw/zinc/32/64/56/570326456.db2.gz TZVVIXIAJKXBHV-UHFFFAOYSA-N 0 0 387.382 3.637 50 70 GHIARN CSCC[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccc(Oc2ccccc2)cc1 ZINC000218265402 570329153 /nfs/dbraw/zinc/32/91/53/570329153.db2.gz RWEFYBXQPNFNAC-INIZCTEOSA-N 0 0 397.500 3.713 50 70 GHIARN COc1cc(CN2CCCn3nc([C@H](O)c4ccccc4)cc3C2)ccc1F ZINC000218738714 570340011 /nfs/dbraw/zinc/34/00/11/570340011.db2.gz UOUASPSTUZBXLZ-JOCHJYFZSA-N 0 0 381.451 3.518 50 70 GHIARN COc1cc(CN2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)ccc1F ZINC000218738652 570340043 /nfs/dbraw/zinc/34/00/43/570340043.db2.gz UOUASPSTUZBXLZ-QFIPXVFZSA-N 0 0 381.451 3.518 50 70 GHIARN COC(=O)C[C@@H]1c2cc3c(cc2Oc2nc4ccc(OC)cc4cc21)OCO3 ZINC000217735471 205941879 /nfs/dbraw/zinc/94/18/79/205941879.db2.gz AFMLVZMOFRXOIL-CYBMUJFWSA-N 0 0 379.368 3.773 50 70 biogenic GHIARN O=C(CCc1ccc(Cl)c(F)c1)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000217672619 205940204 /nfs/dbraw/zinc/94/02/04/205940204.db2.gz VWVGXNNHUMCWPJ-UHFFFAOYSA-N 0 0 384.842 3.754 50 70 GHIARN CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)NCc1ccccc1Cl ZINC000218233064 570328423 /nfs/dbraw/zinc/32/84/23/570328423.db2.gz DEXXKJGXJZBORH-MRXNPFEDSA-N 0 0 378.929 3.597 50 70 GHIARN COc1ccc(OC)c2[nH]c(C(=O)NCCn3ccc4ccc(F)cc43)cc21 ZINC000218309045 570819662 /nfs/dbraw/zinc/81/96/62/570819662.db2.gz XKFMDZYERXDGGE-UHFFFAOYSA-N 0 0 381.407 3.709 50 70 GHIARN Cc1c(C(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)sc2[nH]cnc(=O)c12 ZINC000218430706 231030835 /nfs/dbraw/zinc/03/08/35/231030835.db2.gz WPPNMOUYZZEYIU-AWEZNQCLSA-N 0 0 395.488 3.687 50 70 GHIARN Cn1nc(CN(Cc2ccco2)C(=O)COc2ccc(F)cc2)cc1C1CC1 ZINC000217894764 205941835 /nfs/dbraw/zinc/94/18/35/205941835.db2.gz MHGPRARCXHQTRE-UHFFFAOYSA-N 0 0 383.423 3.637 50 70 GHIARN Cc1cc(-c2ccncc2)nn1CCNC(=O)c1ccccc1OC(F)(F)F ZINC000217870148 205941914 /nfs/dbraw/zinc/94/19/14/205941914.db2.gz PCPYLGHGZMPSPC-UHFFFAOYSA-N 0 0 390.365 3.582 50 70 GHIARN CC1(C)CC(=O)c2ccc3c(c2O1)[C@H](c1cc2ccccc2[nH]c1=O)CC(=O)O3 ZINC000217717253 205940695 /nfs/dbraw/zinc/94/06/95/205940695.db2.gz AOAYESJSAZLPNK-AWEZNQCLSA-N 0 0 389.407 3.713 50 70 biogenic GHIARN COC(=O)c1nc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)sc1C ZINC000218153083 570326609 /nfs/dbraw/zinc/32/66/09/570326609.db2.gz WHIMKPAXUCVRND-UHFFFAOYSA-N 0 0 376.825 3.534 50 70 GHIARN CC(=O)c1ccc2c(c1O)[C@H](c1cccc(Oc3ncccn3)c1)CC(=O)O2 ZINC000218164695 570326901 /nfs/dbraw/zinc/32/69/01/570326901.db2.gz NFLIRBJNZKUYCX-INIZCTEOSA-N 0 0 376.368 3.618 50 70 GHIARN Cn1nc(-c2cccs2)cc1C(=O)N[C@H](Cn1ccnc1)c1ccccc1 ZINC000218767107 570340776 /nfs/dbraw/zinc/34/07/76/570340776.db2.gz UGBXLUFHELJOQZ-QGZVFWFLSA-N 0 0 377.473 3.516 50 70 GHIARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1ccc(-c2ccsc2)n1 ZINC000217888051 570476897 /nfs/dbraw/zinc/47/68/97/570476897.db2.gz YKHWFUBARZWROQ-UHFFFAOYSA-N 0 0 395.463 3.581 50 70 GHIARN COC[C@@H]1[C@@H](NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@@H]2CCO[C@H]12 ZINC000218448233 205946678 /nfs/dbraw/zinc/94/66/78/205946678.db2.gz UFLXSCMPWOUOBL-RDGPPVDQSA-N 0 0 377.912 3.708 50 70 GHIARN O=C(c1cc(=O)[nH]c2ccc(F)cc21)N1CCC(c2nc3ccccc3o2)CC1 ZINC000216919635 570309500 /nfs/dbraw/zinc/30/95/00/570309500.db2.gz SQICBOJYGKJNDZ-UHFFFAOYSA-N 0 0 391.402 3.828 50 70 GHIARN O=C(N[C@H](CO)Cc1ccccc1)c1c[nH]nc1-c1ccc(Cl)cc1Cl ZINC000218173563 570327196 /nfs/dbraw/zinc/32/71/96/570327196.db2.gz HPXWDKJBIIDDGX-AWEZNQCLSA-N 0 0 390.270 3.717 50 70 GHIARN CC(C)[C@H](NC(=O)Cc1ccc2c(c1)OCCCO2)c1nc2ccccc2n1C ZINC000218199509 570327598 /nfs/dbraw/zinc/32/75/98/570327598.db2.gz MAIGSZKEUCTXLN-QFIPXVFZSA-N 0 0 393.487 3.791 50 70 GHIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc2c(ccn2C)c1 ZINC000218396020 570333377 /nfs/dbraw/zinc/33/33/77/570333377.db2.gz NPGJTSYFTKXZAR-HNNXBMFYSA-N 0 0 376.460 3.665 50 70 GHIARN CN(C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccc2c(c1)OCO2 ZINC000160630060 205809221 /nfs/dbraw/zinc/80/92/21/205809221.db2.gz KGPYWLBTIMQHSE-UHFFFAOYSA-N 0 0 389.333 3.896 50 70 GHIARN CC(C)(C)OC(=O)N1CC[C@]2(CCN(c3nc4ccccc4cc3CO)C2)C1 ZINC000160026668 205809652 /nfs/dbraw/zinc/80/96/52/205809652.db2.gz JDUZWNISSIMFCK-QFIPXVFZSA-N 0 0 383.492 3.564 50 70 GHIARN COc1ccc(CNC(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)cc1 ZINC000217881092 205941646 /nfs/dbraw/zinc/94/16/46/205941646.db2.gz GJLNYDLRYLUYIF-UHFFFAOYSA-N 0 0 396.516 3.997 50 70 GHIARN O=C(CCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1)Nc1nccs1 ZINC000218610672 570337867 /nfs/dbraw/zinc/33/78/67/570337867.db2.gz KIBVRBGSUJDYBV-SFHVURJKSA-N 0 0 378.457 3.738 50 70 GHIARN CC(=O)NCCOc1ccc(NC(=O)c2ncc(-c3ccc(Cl)cc3)o2)cc1 ZINC000217432790 205935523 /nfs/dbraw/zinc/93/55/23/205935523.db2.gz JXBCIVLWRDFPDR-UHFFFAOYSA-N 0 0 399.834 3.762 50 70 GHIARN O=C(Cn1cnc(Cl)c1Cl)Nc1cccnc1SCc1ccccn1 ZINC000218168728 570326789 /nfs/dbraw/zinc/32/67/89/570326789.db2.gz JQADGKVMLKNCQG-UHFFFAOYSA-N 0 0 394.287 3.911 50 70 GHIARN Cn1nc(CN(C(=O)c2ccc3nsnc3c2)C2CCCC2)cc1C1CC1 ZINC000217900268 205942468 /nfs/dbraw/zinc/94/24/68/205942468.db2.gz KTODAAKPNSRVSG-UHFFFAOYSA-N 0 0 381.505 3.887 50 70 GHIARN Cc1cc(Oc2ccc(NC(=O)C[C@H](C)NC(=O)c3ccccc3)cc2)n[nH]1 ZINC000159498265 205805265 /nfs/dbraw/zinc/80/52/65/205805265.db2.gz CRQANTHCDLCQIS-AWEZNQCLSA-N 0 0 378.432 3.658 50 70 GHIARN CC(C)c1nnc([C@H](C)NC(=O)c2ccccc2OC(F)(F)C(F)F)o1 ZINC000218288174 205947138 /nfs/dbraw/zinc/94/71/38/205947138.db2.gz MRMABSYZYSVJIJ-VIFPVBQESA-N 0 0 375.322 3.921 50 70 GHIARN C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(-c3ccccc3Cl)o1)C2 ZINC000218067785 570324687 /nfs/dbraw/zinc/32/46/87/570324687.db2.gz LGALFAYSCAJSGI-ZDUSSCGKSA-N 0 0 385.851 3.896 50 70 GHIARN CC(C)C[C@H](NC(=O)c1cc(-c2cccnc2)n[nH]1)c1nc2ccccc2n1C ZINC000218146852 570326235 /nfs/dbraw/zinc/32/62/35/570326235.db2.gz SENNARUDLJAYAC-SFHVURJKSA-N 0 0 388.475 3.876 50 70 GHIARN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N1CCOC[C@@H]1C1CC1 ZINC000161288041 570998092 /nfs/dbraw/zinc/99/80/92/570998092.db2.gz OEIBQBXCSPYPON-QGZVFWFLSA-N 0 0 392.908 3.555 50 70 GHIARN O=S(=O)([N-]c1n[nH]c(SCc2ccccc2)n1)C1=Cc2ccccc2CC1 ZINC000160432943 570322243 /nfs/dbraw/zinc/32/22/43/570322243.db2.gz UYAAZPIJSAYUBU-UHFFFAOYSA-N 0 0 398.513 3.826 50 70 GHIARN COc1ccc(/C=C/CN2CCc3nc(-c4cccc(CO)c4)[nH]c3C2)cc1 ZINC000218295368 570330384 /nfs/dbraw/zinc/33/03/84/570330384.db2.gz IUFSNGXMHGXMBO-HWKANZROSA-N 0 0 375.472 3.649 50 70 GHIARN CC(C)[C@H](NC(=O)CC1(n2cccc2)CCOCC1)c1nc2ccccc2[nH]1 ZINC000218304595 570330862 /nfs/dbraw/zinc/33/08/62/570330862.db2.gz VSMRHEPILVWCRZ-FQEVSTJZSA-N 0 0 380.492 3.774 50 70 GHIARN Cc1cc(-c2ccncc2)nn1CCNC(=O)c1ccccc1SC(F)F ZINC000217869853 205941777 /nfs/dbraw/zinc/94/17/77/205941777.db2.gz LBXHAQGWRJFKCF-UHFFFAOYSA-N 0 0 388.443 3.998 50 70 GHIARN Cc1cc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)c2ccc(Cl)cc2n1 ZINC000218024763 570324028 /nfs/dbraw/zinc/32/40/28/570324028.db2.gz JATPEWVVZHNWTB-OALUTQOASA-N 0 0 388.895 3.758 50 70 GHIARN CO[C@H]1[C@@H]2CC[C@H]1CN(C(=O)c1ccc3c(c1)nc(C)n3-c1ccccc1)C2 ZINC000217588158 570318911 /nfs/dbraw/zinc/31/89/11/570318911.db2.gz FSTGEHJKPMILQQ-OEWRPIJISA-N 0 0 375.472 3.831 50 70 GHIARN O=C(CC1(n2cccc2)CCOCC1)NCCCCCc1nc2ccccc2[nH]1 ZINC000218387940 570333186 /nfs/dbraw/zinc/33/31/86/570333186.db2.gz MAIHEHTXAWZCFI-UHFFFAOYSA-N 0 0 394.519 3.789 50 70 GHIARN C[C@H](NC(=O)c1cnn(-c2ccc(F)cc2F)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000159949807 570790896 /nfs/dbraw/zinc/79/08/96/570790896.db2.gz YJTIBOWOIYPRRO-LBPRGKRZSA-N 0 0 396.397 3.526 50 70 GHIARN CC(C)[C@H](NC(=O)CCc1ccc2c(c1)CCO2)c1nc2ccccc2n1C ZINC000218159695 208833976 /nfs/dbraw/zinc/83/39/76/208833976.db2.gz WZJAGKDOHMMGMB-QFIPXVFZSA-N 0 0 377.488 3.954 50 70 GHIARN O=C(CN1c2cccnc2Sc2ccccc2C1=O)Nc1cccnc1Cl ZINC000218207000 208835563 /nfs/dbraw/zinc/83/55/63/208835563.db2.gz BPRROWGODIDHRM-UHFFFAOYSA-N 0 0 396.859 3.880 50 70 GHIARN O=C(CCN1C(=O)c2ccccc2N[C@H]1c1ccccc1)Nc1nccs1 ZINC000218610595 208837460 /nfs/dbraw/zinc/83/74/60/208837460.db2.gz KIBVRBGSUJDYBV-GOSISDBHSA-N 0 0 378.457 3.738 50 70 GHIARN O=C(NCc1ccnc(N2CCCCC2)c1)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160240901 136196415 /nfs/dbraw/zinc/19/64/15/136196415.db2.gz AIEJDGZBIRDTRA-HXUWFJFHSA-N 0 0 396.491 3.561 50 70 GHIARN Cc1cc(Oc2ccc(NC(=O)C[C@@H](C)NC(=O)c3ccccc3)cc2)n[nH]1 ZINC000159498145 570685631 /nfs/dbraw/zinc/68/56/31/570685631.db2.gz CRQANTHCDLCQIS-CQSZACIVSA-N 0 0 378.432 3.658 50 70 GHIARN C[C@](O)(CNC(=O)c1ccc(C(F)(F)F)nc1)c1cc2ccccc2s1 ZINC000217510229 208829094 /nfs/dbraw/zinc/82/90/94/208829094.db2.gz KVGYJAUUIGREJA-KRWDZBQOSA-N 0 0 380.391 3.953 50 70 GHIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)Cn1ccc2ccc(F)cc21 ZINC000218419930 570833897 /nfs/dbraw/zinc/83/38/97/570833897.db2.gz CTSLIPXSOKRAFQ-HNNXBMFYSA-N 0 0 394.450 3.654 50 70 GHIARN COC(=O)CS[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000217557675 208828294 /nfs/dbraw/zinc/82/82/94/208828294.db2.gz XOYBFJPZGISHFY-MRXNPFEDSA-N 0 0 381.925 3.659 50 70 GHIARN COc1cccc2cc(C(=O)N3CCC[C@H](Cc4nc(C5CC5)no4)C3)oc21 ZINC000217805857 208831405 /nfs/dbraw/zinc/83/14/05/208831405.db2.gz MRNFAVXOAKAPJG-CYBMUJFWSA-N 0 0 381.432 3.797 50 70 GHIARN O=C(N[C@H](CO)Cc1ccccc1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000218133432 570325568 /nfs/dbraw/zinc/32/55/68/570325568.db2.gz BXWXZJYUVKDFPR-SFHVURJKSA-N 0 0 383.451 3.630 50 70 GHIARN CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)NCc1cccc(Cl)c1 ZINC000218293727 570330380 /nfs/dbraw/zinc/33/03/80/570330380.db2.gz ALYGLHIOMIHSCA-MRXNPFEDSA-N 0 0 378.929 3.597 50 70 GHIARN Cn1c(CCCCCNC(=O)Cc2ccc3c(c2)OCC3)nc2ccccc21 ZINC000218517483 570335900 /nfs/dbraw/zinc/33/59/00/570335900.db2.gz OVGXZHJXGMHBLZ-UHFFFAOYSA-N 0 0 377.488 3.580 50 70 GHIARN O=C(NCCc1cccc(F)c1)[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000218266718 208834788 /nfs/dbraw/zinc/83/47/88/208834788.db2.gz WLSXOCHWAZGBRO-LJQANCHMSA-N 0 0 393.462 3.518 50 70 GHIARN CC(C)c1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)nn1-c1ccccc1 ZINC000160269145 570228958 /nfs/dbraw/zinc/22/89/58/570228958.db2.gz BLGKRTXBJFWJTF-CQSZACIVSA-N 0 0 390.443 3.967 50 70 GHIARN COCCn1cc(CC(=O)N2CCCC[C@H]2c2cccnc2)c2ccccc21 ZINC000218070424 570418682 /nfs/dbraw/zinc/41/86/82/570418682.db2.gz WQDYMLGKPJFOMQ-NRFANRHFSA-N 0 0 377.488 3.979 50 70 biogenic GHIARN Cc1cccc(CS(=O)(=O)NC[C@@](C)(O)c2cc3ccccc3s2)c1 ZINC000217512153 208828850 /nfs/dbraw/zinc/82/88/50/208828850.db2.gz UIIHOUIDTOCXOD-LJQANCHMSA-N 0 0 375.515 3.537 50 70 GHIARN CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)NCc1cccc(Cl)c1 ZINC000218293691 208835344 /nfs/dbraw/zinc/83/53/44/208835344.db2.gz ALYGLHIOMIHSCA-INIZCTEOSA-N 0 0 378.929 3.597 50 70 GHIARN Cc1nc2sc([C@@H](c3cccc(OC(F)F)c3)[NH+]3CCCCC3)c([O-])n2n1 ZINC000218492811 208836978 /nfs/dbraw/zinc/83/69/78/208836978.db2.gz DMINFUAFIXPXTQ-CQSZACIVSA-N 0 0 394.447 3.982 50 70 GHIARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1cc(-c2ccccn2)n[nH]1 ZINC000217853490 570322093 /nfs/dbraw/zinc/32/20/93/570322093.db2.gz DDZSXLOIFJBAQU-SFHVURJKSA-N 0 0 387.443 3.769 50 70 biogenic GHIARN COc1ccc(NC(C)=O)cc1NC(=O)c1cnc2cc(Cl)ccc2c1O ZINC000218373341 570332799 /nfs/dbraw/zinc/33/27/99/570332799.db2.gz IWOHUHQMSWWVCV-UHFFFAOYSA-N 0 0 385.807 3.813 50 70 GHIARN CCOc1ccc(C(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)cc1OCC ZINC000217807841 208832459 /nfs/dbraw/zinc/83/24/59/208832459.db2.gz LUXNRHXWNKLKCL-OAHLLOKOSA-N 0 0 399.491 3.839 50 70 GHIARN CC(C)[C@H](NC(=O)c1cn(C)c(=O)c2ccccc12)c1nc2ccccc2n1C ZINC000218221764 570328372 /nfs/dbraw/zinc/32/83/72/570328372.db2.gz UILXVFACFRYJAS-FQEVSTJZSA-N 0 0 388.471 3.552 50 70 GHIARN COc1cc(NCC2=Cc3cc(Cl)ccc3OC2)ccc1NS(C)(=O)=O ZINC000159927572 570759694 /nfs/dbraw/zinc/75/96/94/570759694.db2.gz NVQOBAZKNIVNHZ-UHFFFAOYSA-N 0 0 394.880 3.608 50 70 GHIARN COc1c(C)cccc1C(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000218658216 208838510 /nfs/dbraw/zinc/83/85/10/208838510.db2.gz GWWFAMNEHMEIDX-IAYYMHMVSA-N 0 0 376.456 3.794 50 70 GHIARN [O-]c1c([C@@H](c2cccc(OC(F)F)c2)[NH+]2CCCCC2)sc2ncnn12 ZINC000218548699 570336729 /nfs/dbraw/zinc/33/67/29/570336729.db2.gz KANPBVYJQGTGRQ-CYBMUJFWSA-N 0 0 380.420 3.673 50 70 GHIARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1cc(-c2ccccn2)n[nH]1 ZINC000217853586 570322065 /nfs/dbraw/zinc/32/20/65/570322065.db2.gz DDZSXLOIFJBAQU-GOSISDBHSA-N 0 0 387.443 3.769 50 70 biogenic GHIARN COCCn1c(CNC(=O)CC2(n3cccc3)CCCCC2)nc2ccccc21 ZINC000218276003 570329409 /nfs/dbraw/zinc/32/94/09/570329409.db2.gz XUOGRKPANOPVHK-UHFFFAOYSA-N 0 0 394.519 3.850 50 70 GHIARN O=C(N[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21)c1cccc(-n2cnnn2)c1 ZINC000218614310 570337925 /nfs/dbraw/zinc/33/79/25/570337925.db2.gz GFCZVWKOGMNRKW-SFHVURJKSA-N 0 0 392.850 3.604 50 70 GHIARN C[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2F)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000159949941 570790945 /nfs/dbraw/zinc/79/09/45/570790945.db2.gz YJTIBOWOIYPRRO-GFCCVEGCSA-N 0 0 396.397 3.526 50 70 GHIARN CN(C)S(=O)(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1 ZINC000218671469 570951845 /nfs/dbraw/zinc/95/18/45/570951845.db2.gz GRWMTHVZMMSWJD-UHFFFAOYSA-N 0 0 377.466 3.835 50 70 GHIARN C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(-c3ccccc3Cl)o1)C2 ZINC000218067707 208833744 /nfs/dbraw/zinc/83/37/44/208833744.db2.gz LGALFAYSCAJSGI-CYBMUJFWSA-N 0 0 385.851 3.896 50 70 GHIARN CC(C)C[C@H](NC(=O)[C@H](C)N1Cc2ccccc2C1=O)c1nc2ccccc2[nH]1 ZINC000218410525 208836876 /nfs/dbraw/zinc/83/68/76/208836876.db2.gz FKHFYSWNACYBQW-YWZLYKJASA-N 0 0 390.487 3.811 50 70 GHIARN Cc1noc(-c2ccsc2NC(=O)COc2cccc3c2OC(C)(C)C3)n1 ZINC000217647210 208828997 /nfs/dbraw/zinc/82/89/97/208828997.db2.gz YYFBNWOXRCPRAX-UHFFFAOYSA-N 0 0 385.445 3.838 50 70 GHIARN Cc1c(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cnn1-c1cc(C)ccc1C ZINC000160270481 570228740 /nfs/dbraw/zinc/22/87/40/570228740.db2.gz NRIZVRNGGZPPCW-HNNXBMFYSA-N 0 0 390.443 3.769 50 70 GHIARN O=C(c1cnc2ccccc2c1O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000218319512 570331209 /nfs/dbraw/zinc/33/12/09/570331209.db2.gz ISYSILFOFXSWDR-UHFFFAOYSA-N 0 0 382.847 3.718 50 70 GHIARN O=C(CCn1ccc(=O)c2ccccc21)NCCn1ccc2ccc(Cl)cc21 ZINC000218603086 570337748 /nfs/dbraw/zinc/33/77/48/570337748.db2.gz VZEIPFCYPXJXAA-UHFFFAOYSA-N 0 0 393.874 3.816 50 70 GHIARN COc1cn(CC(=O)NCCC(c2ccccc2)c2ccccc2)c(C)cc1=O ZINC000218422106 570839380 /nfs/dbraw/zinc/83/93/80/570839380.db2.gz VLUVQGPOYHBCJT-UHFFFAOYSA-N 0 0 390.483 3.504 50 70 GHIARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1ccccc1)CC(=O)O2 ZINC000218026108 209185998 /nfs/dbraw/zinc/18/59/98/209185998.db2.gz HHSQJEDBYBRXEQ-LJQANCHMSA-N 0 0 375.424 3.546 50 70 biogenic GHIARN Cc1noc2nc(C)cc(C(=O)N[C@H](c3nc4ccccc4n3C)C(C)C)c12 ZINC000218527112 570336336 /nfs/dbraw/zinc/33/63/36/570336336.db2.gz ZWZDRIIFUSANOP-SFHVURJKSA-N 0 0 377.448 3.853 50 70 GHIARN CCOC(=O)c1[nH]c(C)c(C(=O)Nc2nnc(C3CCCCC3)s2)c1C ZINC000218129874 211757821 /nfs/dbraw/zinc/75/78/21/211757821.db2.gz MSJNNRXZSLNSJZ-UHFFFAOYSA-N 0 0 376.482 3.960 50 70 GHIARN Cc1cc(OC2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)cc(=O)o1 ZINC000217770304 211752261 /nfs/dbraw/zinc/75/22/61/211752261.db2.gz WXQXFASROPGHSW-UHFFFAOYSA-N 0 0 387.432 3.986 50 70 GHIARN CC[C@H](C)[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc21)c1nc2ccccc2[nH]1 ZINC000218425395 529251671 /nfs/dbraw/zinc/25/16/71/529251671.db2.gz IAOXKAUAHUDBFP-GMVOTWDCSA-N 0 0 376.460 3.641 50 70 GHIARN COc1ccc([C@@H]2Sc3[nH]c(=O)sc3[C@H]3c4ccccc4OC(=O)[C@@H]23)cc1 ZINC000217526907 209185030 /nfs/dbraw/zinc/18/50/30/209185030.db2.gz RNGXRKMCDCIEIL-XHSDSOJGSA-N 0 0 397.477 3.959 50 70 GHIARN O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1ccc2nsnc2c1 ZINC000217879494 211753613 /nfs/dbraw/zinc/75/36/13/211753613.db2.gz SHTVRZSGROUCFF-UHFFFAOYSA-N 0 0 395.513 3.924 50 70 GHIARN Cc1c(NC(=O)c2cc(F)c(Cl)cc2F)c(=O)n(-c2ccccc2)n1C ZINC000160424636 570322299 /nfs/dbraw/zinc/32/22/99/570322299.db2.gz VSQUOFBPXLZQSC-UHFFFAOYSA-N 0 0 377.778 3.668 50 70 GHIARN Cc1c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cccc1S(C)(=O)=O ZINC000161304266 571037298 /nfs/dbraw/zinc/03/72/98/571037298.db2.gz XGQSKZMFNNFCOQ-UHFFFAOYSA-N 0 0 390.848 3.959 50 70 GHIARN Cc1nn(C)c2nc(C)cc(C(=O)N[C@H](c3nc4ccccc4n3C)C(C)C)c12 ZINC000218604813 211761735 /nfs/dbraw/zinc/76/17/35/211761735.db2.gz NAPCWUZULWWANT-IBGZPJMESA-N 0 0 390.491 3.599 50 70 GHIARN Cn1nc(CN(Cc2ccco2)C(=O)c2ccc3nsnc3c2)cc1C1CC1 ZINC000217896414 211752248 /nfs/dbraw/zinc/75/22/48/211752248.db2.gz SILDNAXPWRHWMS-UHFFFAOYSA-N 0 0 393.472 3.738 50 70 GHIARN COc1ccc(S(=O)(=O)NCC2(c3ccsc3)CCCC2)cc1OC ZINC000217484437 211749499 /nfs/dbraw/zinc/74/94/99/211749499.db2.gz KPPAPCFHHQOPOL-UHFFFAOYSA-N 0 0 381.519 3.556 50 70 GHIARN C[C@](O)(CNS(=O)(=O)c1ccccc1Cl)c1cc2ccccc2s1 ZINC000217512554 211748497 /nfs/dbraw/zinc/74/84/97/211748497.db2.gz BYNAHCDBIHMVTN-KRWDZBQOSA-N 0 0 381.906 3.741 50 70 GHIARN Cn1nc(-c2cccs2)cc1C(=O)N[C@@H](Cn1ccnc1)c1ccccc1 ZINC000218767073 570340696 /nfs/dbraw/zinc/34/06/96/570340696.db2.gz UGBXLUFHELJOQZ-KRWDZBQOSA-N 0 0 377.473 3.516 50 70 GHIARN O=C(Nc1cccnc1-n1cncn1)NC1(c2ccc(F)cc2F)CCCCC1 ZINC000160731473 570382377 /nfs/dbraw/zinc/38/23/77/570382377.db2.gz XAFREWWEZOTRGE-UHFFFAOYSA-N 0 0 398.417 3.922 50 70 GHIARN CC(=O)Nc1cccc2c1ccn2CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000217638019 570319467 /nfs/dbraw/zinc/31/94/67/570319467.db2.gz RCJZDXBAYVNKIO-UHFFFAOYSA-N 0 0 386.455 3.666 50 70 biogenic GHIARN COc1cc2cc(C(=O)NCCn3ccc4ccc(F)cc43)[nH]c2cc1OC ZINC000218282680 570329616 /nfs/dbraw/zinc/32/96/16/570329616.db2.gz POLVTUMYTFFRCT-UHFFFAOYSA-N 0 0 381.407 3.709 50 70 GHIARN CC(C)[C@H](NC(=O)c1ccc2c(c1)OCCCO2)c1nc2ccccc2n1C ZINC000218399580 570333408 /nfs/dbraw/zinc/33/34/08/570333408.db2.gz IPMZFLSRTHEGSP-FQEVSTJZSA-N 0 0 379.460 3.862 50 70 GHIARN O=C(c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1)N1CCc2ccccc2C1 ZINC000218290864 211760019 /nfs/dbraw/zinc/76/00/19/211760019.db2.gz IZTACPRAKVJTKI-UHFFFAOYSA-N 0 0 394.858 3.806 50 70 GHIARN CC(C)C[C@H](NC(=O)CCN1Cc2ccccc2C1=O)c1nc2ccccc2[nH]1 ZINC000218148187 211757955 /nfs/dbraw/zinc/75/79/55/211757955.db2.gz XZNGMNAICGGZGK-FQEVSTJZSA-N 0 0 390.487 3.812 50 70 GHIARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)c(OC)c1 ZINC000217779030 211753009 /nfs/dbraw/zinc/75/30/09/211753009.db2.gz PWTIWNVCZVGBMI-OAHLLOKOSA-N 0 0 382.412 3.889 50 70 biogenic GHIARN O=C(CC(c1ccccc1)c1ccccc1)N1CC[C@@H](N2C(=O)CSC2=O)C1 ZINC000217785652 211752744 /nfs/dbraw/zinc/75/27/44/211752744.db2.gz DTQOJPGISPWSQO-GOSISDBHSA-N 0 0 394.496 3.505 50 70 GHIARN COc1cn(CC(=O)Nc2cccc3c2ccn3CCC(C)C)c(C)cc1=O ZINC000218392636 570333352 /nfs/dbraw/zinc/33/33/52/570333352.db2.gz YTQCSBNYASLSAS-UHFFFAOYSA-N 0 0 381.476 3.805 50 70 GHIARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)cc1OC ZINC000217721855 570448829 /nfs/dbraw/zinc/44/88/29/570448829.db2.gz CCYLNEDUCNTZAG-CQSZACIVSA-N 0 0 382.412 3.889 50 70 biogenic GHIARN CC(C)[C@H](NC(=O)Cc1csc(-n2cccc2)n1)c1nc2ccccc2n1C ZINC000218543180 211761269 /nfs/dbraw/zinc/76/12/69/211761269.db2.gz ZUJNKZYIZHGWIB-IBGZPJMESA-N 0 0 393.516 3.877 50 70 GHIARN CSCC[C@H](NC(=O)c1n[nH]c2c1CCCCC2)c1nc2ccccc2n1C ZINC000218212293 570327920 /nfs/dbraw/zinc/32/79/20/570327920.db2.gz DKMPIUIZSFZQLH-KRWDZBQOSA-N 0 0 397.548 3.790 50 70 GHIARN CC(C)c1nnc([C@@H](C)NC(=O)c2ccccc2OC(F)(F)C(F)F)o1 ZINC000218288115 570330106 /nfs/dbraw/zinc/33/01/06/570330106.db2.gz MRMABSYZYSVJIJ-SECBINFHSA-N 0 0 375.322 3.921 50 70 GHIARN O=C(Nc1cnn(Cc2ccccc2)c1)c1cnn(-c2ccc(F)cc2F)c1 ZINC000160521876 209246305 /nfs/dbraw/zinc/24/63/05/209246305.db2.gz NVQNTYGOPHOARQ-UHFFFAOYSA-N 0 0 379.370 3.648 50 70 GHIARN Cn1nc(CN(C(=O)NCc2ccc3c(c2)OCO3)C2CCCC2)cc1C1CC1 ZINC000217900956 211755192 /nfs/dbraw/zinc/75/51/92/211755192.db2.gz LDKNBAAIRNSYNH-UHFFFAOYSA-N 0 0 396.491 3.681 50 70 GHIARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1ccccc1)CC(=O)O2 ZINC000218026021 209184977 /nfs/dbraw/zinc/18/49/77/209184977.db2.gz HHSQJEDBYBRXEQ-IBGZPJMESA-N 0 0 375.424 3.546 50 70 biogenic GHIARN COc1ccc(CN2CCCn3nc([C@H](O)C4CCC4)cc3C2)cc1Cl ZINC000218264917 570328979 /nfs/dbraw/zinc/32/89/79/570328979.db2.gz SJALKMJXNSZMSZ-HXUWFJFHSA-N 0 0 375.900 3.785 50 70 GHIARN CC(C)n1c(CNC(=O)CC2(n3cccc3)CCOCC2)nc2ccccc21 ZINC000218317166 570820161 /nfs/dbraw/zinc/82/01/61/570820161.db2.gz WCYPXCDRWUSVJH-UHFFFAOYSA-N 0 0 380.492 3.631 50 70 GHIARN COCCn1ccc2ccc(C(=O)NCCn3ccc4cc(OC)ccc43)cc21 ZINC000217948886 209185472 /nfs/dbraw/zinc/18/54/72/209185472.db2.gz GRJKGFPGRBFIEB-UHFFFAOYSA-N 0 0 391.471 3.681 50 70 biogenic GHIARN CC(C)n1nnc(-c2ccc(C(=O)N3CCCC[C@H]3c3cccnc3)cc2)n1 ZINC000218055308 209184622 /nfs/dbraw/zinc/18/46/22/209184622.db2.gz ZJGLNNYSWJRSSW-IBGZPJMESA-N 0 0 376.464 3.683 50 70 biogenic GHIARN Cc1cc(S(=O)(=O)NC[C@](C)(O)c2cc3ccccc3s2)ccc1F ZINC000217512254 211748573 /nfs/dbraw/zinc/74/85/73/211748573.db2.gz VCOONQUMAMIBAH-SFHVURJKSA-N 0 0 379.478 3.535 50 70 GHIARN Cc1c(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cnn1-c1cc(C)ccc1C ZINC000160270551 570228892 /nfs/dbraw/zinc/22/88/92/570228892.db2.gz NRIZVRNGGZPPCW-OAHLLOKOSA-N 0 0 390.443 3.769 50 70 GHIARN CCOC(=O)Cc1csc(NC(=O)CCCc2cn(C)c3ccccc23)n1 ZINC000218149640 570326225 /nfs/dbraw/zinc/32/62/25/570326225.db2.gz HXNHZRZGXDHKIM-UHFFFAOYSA-N 0 0 385.489 3.702 50 70 GHIARN O=C(CC1(n2cccc2)CCOCC1)NCCSc1ccc(Cl)cc1 ZINC000218401930 570333692 /nfs/dbraw/zinc/33/36/92/570333692.db2.gz CKVBTFSBVGNKDN-UHFFFAOYSA-N 0 0 378.925 3.946 50 70 GHIARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc2nc(C)ccc2c1 ZINC000218319290 211759467 /nfs/dbraw/zinc/75/94/67/211759467.db2.gz REKAUARXANIKSE-SFHVURJKSA-N 0 0 392.411 3.801 50 70 GHIARN O=C(N[C@H]1CCCc2c3cccc(Cl)c3[nH]c21)c1cccc(-n2cnnn2)c1 ZINC000218456155 211758505 /nfs/dbraw/zinc/75/85/05/211758505.db2.gz OEHKYGFIYDBVLI-KRWDZBQOSA-N 0 0 392.850 3.604 50 70 GHIARN CC(C)c1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)nn1-c1ccccc1 ZINC000160269262 211612070 /nfs/dbraw/zinc/61/20/70/211612070.db2.gz BLGKRTXBJFWJTF-AWEZNQCLSA-N 0 0 390.443 3.967 50 70 GHIARN CC(C)[C@H](NC(=O)c1cc(=O)n(C)c2ccccc12)c1nc2ccccc2n1C ZINC000218300000 570330897 /nfs/dbraw/zinc/33/08/97/570330897.db2.gz YRTCPQDBVWCXJY-NRFANRHFSA-N 0 0 388.471 3.552 50 70 GHIARN O=C(c1cc(=O)c(OCc2ccccc2Cl)c[nH]1)N1CCc2ccccc2C1 ZINC000218342758 570332086 /nfs/dbraw/zinc/33/20/86/570332086.db2.gz UASAEWZVFGDXSY-UHFFFAOYSA-N 0 0 394.858 3.806 50 70 GHIARN Cn1c(CCCNC(=O)c2cnc3c(Cl)cccc3c2O)nc2ccccc21 ZINC000218451605 570334610 /nfs/dbraw/zinc/33/46/10/570334610.db2.gz GZSKKQQUHKFNQX-UHFFFAOYSA-N 0 0 394.862 3.843 50 70 GHIARN Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1ccc2ccccc2c1 ZINC000218561611 570336544 /nfs/dbraw/zinc/33/65/44/570336544.db2.gz VBNSXUKMAAJWPE-NHCUHLMSSA-N 0 0 380.444 3.549 50 70 GHIARN O=C(c1cc(Br)cs1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217817177 211752309 /nfs/dbraw/zinc/75/23/09/211752309.db2.gz JKHNMEIAFOUNOL-JTQLQIEISA-N 0 0 396.310 3.866 50 70 GHIARN COc1ccc(OC)c(-c2cc(C(=O)N[C@@H]3CCOC4(CCCC4)C3)no2)c1 ZINC000159618224 211607176 /nfs/dbraw/zinc/60/71/76/211607176.db2.gz OSYOSFMHFPJFDE-CQSZACIVSA-N 0 0 386.448 3.580 50 70 GHIARN COc1ccc(CCc2nc(NC(=O)CCc3c[nH]c4ccccc34)n[nH]2)cc1 ZINC000218155487 570326583 /nfs/dbraw/zinc/32/65/83/570326583.db2.gz FDFNWTZAFPCTLU-UHFFFAOYSA-N 0 0 389.459 3.651 50 70 GHIARN CC[C@H](C)[C@H](NC(=O)c1sc2[nH]cnc(=O)c2c1C)c1nc2ccccc2[nH]1 ZINC000218235669 570328611 /nfs/dbraw/zinc/32/86/11/570328611.db2.gz YPZMFXYCFBCLAC-BONVTDFDSA-N 0 0 395.488 3.687 50 70 GHIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc2ccn(C)c2c1 ZINC000218369499 570332927 /nfs/dbraw/zinc/33/29/27/570332927.db2.gz OKMAFCHNVNTMNR-HNNXBMFYSA-N 0 0 376.460 3.665 50 70 GHIARN O=C(N[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21)c1cccc(-n2cnnn2)c1 ZINC000218614385 570337942 /nfs/dbraw/zinc/33/79/42/570337942.db2.gz GFCZVWKOGMNRKW-GOSISDBHSA-N 0 0 392.850 3.604 50 70 GHIARN C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000161285361 570997579 /nfs/dbraw/zinc/99/75/79/570997579.db2.gz MVZNBBZTQDRAHI-NSHDSACASA-N 0 0 384.329 3.553 50 70 GHIARN CC(C)c1ccc(NC(=O)COc2coc(CN3CCCCC3)cc2=O)cc1 ZINC000218281009 570329600 /nfs/dbraw/zinc/32/96/00/570329600.db2.gz HJTWWURLVJVKPU-UHFFFAOYSA-N 0 0 384.476 3.767 50 70 GHIARN CC(C)n1nc(CC(=O)N2CCCC[C@H]2c2cccnc2)c2ccccc2c1=O ZINC000218010778 209186016 /nfs/dbraw/zinc/18/60/16/209186016.db2.gz ZPEFGEDXFCVEBW-NRFANRHFSA-N 0 0 390.487 3.669 50 70 biogenic GHIARN COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3c3cccnc3)[nH]n2)cc1OC ZINC000217991579 209184587 /nfs/dbraw/zinc/18/45/87/209184587.db2.gz YAFMTIUQVGGNPB-IBGZPJMESA-N 0 0 392.459 3.856 50 70 biogenic GHIARN CC[C@H](C)[C@H](NC(=O)C[C@H]1NC(=O)c2ccccc21)c1nc2ccccc2[nH]1 ZINC000218425469 529252286 /nfs/dbraw/zinc/25/22/86/529252286.db2.gz IAOXKAUAHUDBFP-VIZZQPHQSA-N 0 0 376.460 3.641 50 70 GHIARN Cc1nn(C)c2nc3c(c(C(=O)Nc4cccc(Br)c4)c12)CCC3 ZINC000218484781 570335105 /nfs/dbraw/zinc/33/51/05/570335105.db2.gz BUDUUIBRNCGFHV-UHFFFAOYSA-N 0 0 385.265 3.780 50 70 GHIARN CC(C)CCn1cnc2ccc(NC(=O)c3cc(-c4ccco4)[nH]n3)cc2c1=O ZINC000218434545 527886241 /nfs/dbraw/zinc/88/62/41/527886241.db2.gz WIOBREOQZZVZHE-UHFFFAOYSA-N 0 0 391.431 3.678 50 70 GHIARN CC(C)n1c(CCCNC(=O)c2cc(-c3ccccn3)n[nH]2)nc2ccccc21 ZINC000218291275 570330037 /nfs/dbraw/zinc/33/00/37/570330037.db2.gz UOFOAIJZQAPHSN-UHFFFAOYSA-N 0 0 388.475 3.765 50 70 GHIARN CC(C)Cn1ccc2c1cccc2NC(=O)CN1C(=O)CC2(CCCC2)C1=O ZINC000218390273 570333229 /nfs/dbraw/zinc/33/32/29/570333229.db2.gz IXVMHNQLRKFHIY-UHFFFAOYSA-N 0 0 381.476 3.555 50 70 GHIARN O=C(CC1(n2cccc2)CCOCC1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000218314181 222587066 /nfs/dbraw/zinc/58/70/66/222587066.db2.gz MOTMWPVKSAJPCL-UHFFFAOYSA-N 0 0 392.503 3.666 50 70 GHIARN O=C(NCc1ccnc(N2CCCCC2)c1)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000160241068 136196428 /nfs/dbraw/zinc/19/64/28/136196428.db2.gz AIEJDGZBIRDTRA-FQEVSTJZSA-N 0 0 396.491 3.561 50 70 GHIARN CC(C)(C)OC(=O)N1CC[C@@]2(CCN(c3nc4ccccc4cc3CO)C2)C1 ZINC000160026775 222531497 /nfs/dbraw/zinc/53/14/97/222531497.db2.gz JDUZWNISSIMFCK-JOCHJYFZSA-N 0 0 383.492 3.564 50 70 GHIARN COc1ccccc1CN(CCc1ccc(F)cc1)C(=O)[C@H]1CCC[C@@H](O)C1 ZINC000218659101 570338556 /nfs/dbraw/zinc/33/85/56/570338556.db2.gz KWBVVUMSVRKDRX-GHTZIAJQSA-N 0 0 385.479 3.957 50 70 GHIARN O=C(CSc1ccc(F)cc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217811969 222583020 /nfs/dbraw/zinc/58/30/20/222583020.db2.gz QJDLKHZRGSWDHE-CYBMUJFWSA-N 0 0 375.469 3.660 50 70 GHIARN C[C@](O)(CNC(=O)c1cc(Br)cs1)c1cc2ccccc2o1 ZINC000217993893 222584058 /nfs/dbraw/zinc/58/40/58/222584058.db2.gz FAUZOJOYMCZASW-INIZCTEOSA-N 0 0 380.263 3.894 50 70 GHIARN COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1ccn2ccnc2c1 ZINC000161196743 570970209 /nfs/dbraw/zinc/97/02/09/570970209.db2.gz NQQZJFDPUNSBFM-UHFFFAOYSA-N 0 0 392.459 3.611 50 70 GHIARN CN(Cc1ccccc1)C(=O)Cn1nc(-c2cccc3ccccc32)ccc1=O ZINC000218464816 570334797 /nfs/dbraw/zinc/33/47/97/570334797.db2.gz FYESXYKLVPSYCY-UHFFFAOYSA-N 0 0 383.451 3.722 50 70 GHIARN CC(C)[C@H](NC(=O)Cc1csc(-n2cccc2)n1)c1nc2ccccc2[nH]1 ZINC000218597395 570337515 /nfs/dbraw/zinc/33/75/15/570337515.db2.gz UTLBCBHVQFJQRY-SFHVURJKSA-N 0 0 379.489 3.866 50 70 GHIARN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cnn(-c2ccc(F)cc2F)c1 ZINC000159711198 570746907 /nfs/dbraw/zinc/74/69/07/570746907.db2.gz LFDMQVGSORHRMU-UHFFFAOYSA-N 0 0 396.397 3.603 50 70 GHIARN C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000161285499 570997560 /nfs/dbraw/zinc/99/75/60/570997560.db2.gz MVZNBBZTQDRAHI-LLVKDONJSA-N 0 0 384.329 3.553 50 70 GHIARN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N1CCOC[C@H]1C1CC1 ZINC000161288177 570998071 /nfs/dbraw/zinc/99/80/71/570998071.db2.gz OEIBQBXCSPYPON-KRWDZBQOSA-N 0 0 392.908 3.555 50 70 GHIARN COc1ccc(CN2CCCn3nc([C@@H](O)C4CCC4)cc3C2)cc1Cl ZINC000218264868 570329057 /nfs/dbraw/zinc/32/90/57/570329057.db2.gz SJALKMJXNSZMSZ-FQEVSTJZSA-N 0 0 375.900 3.785 50 70 GHIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc2nc(C)ccc2c1 ZINC000218319230 570331137 /nfs/dbraw/zinc/33/11/37/570331137.db2.gz REKAUARXANIKSE-GOSISDBHSA-N 0 0 392.411 3.801 50 70 GHIARN O=C(C[C@H](c1cccnc1Cl)c1cc2c(cc1O)OCO2)N1CCCCC1 ZINC000218600531 570337497 /nfs/dbraw/zinc/33/74/97/570337497.db2.gz RKQNKUBEUXOPLW-CQSZACIVSA-N 0 0 388.851 3.704 50 70 GHIARN O=C(CC1(n2cccc2)CCOCC1)NCCc1nc(-c2ccccc2)cs1 ZINC000218153456 570326654 /nfs/dbraw/zinc/32/66/54/570326654.db2.gz VHPGELHZGBDRKG-UHFFFAOYSA-N 0 0 395.528 3.866 50 70 GHIARN COc1ccc(OC)c(-c2cc(C(=O)N[C@H]3CCOC4(CCCC4)C3)no2)c1 ZINC000159618342 570739645 /nfs/dbraw/zinc/73/96/45/570739645.db2.gz OSYOSFMHFPJFDE-AWEZNQCLSA-N 0 0 386.448 3.580 50 70 GHIARN [O-]c1c([C@H](c2cccc(OC(F)F)c2)[NH+]2CCCCC2)sc2ncnn12 ZINC000218548651 570336801 /nfs/dbraw/zinc/33/68/01/570336801.db2.gz KANPBVYJQGTGRQ-ZDUSSCGKSA-N 0 0 380.420 3.673 50 70 GHIARN COc1cc(CC(=O)NCc2ccc3[nH]c(C)cc3c2)c(C(C)=O)cc1OC ZINC000218749739 570340363 /nfs/dbraw/zinc/34/03/63/570340363.db2.gz SPEPVOAGRGNBSR-UHFFFAOYSA-N 0 0 380.444 3.555 50 70 GHIARN Cc1nc2ccc(C(=O)N3CC[C@@H](n4cc(-c5ccccc5)nn4)C3)cc2s1 ZINC000217660628 222581718 /nfs/dbraw/zinc/58/17/18/222581718.db2.gz BPHCWPBIIIHCPM-QGZVFWFLSA-N 0 0 389.484 3.950 50 70 GHIARN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCOc2c(Cl)cccc21 ZINC000161014043 136196331 /nfs/dbraw/zinc/19/63/31/136196331.db2.gz XBGFWZYOWQPFBT-UHFFFAOYSA-N 0 0 387.789 3.684 50 70 GHIARN COCCn1ccc2c1cccc2C(=O)NCCn1ccc2c1cccc2OC ZINC000218479839 570335256 /nfs/dbraw/zinc/33/52/56/570335256.db2.gz SMUDBIYDJICMNX-UHFFFAOYSA-N 0 0 391.471 3.681 50 70 GHIARN O=C(C[C@@H](c1cccnc1Cl)c1cc2c(cc1O)OCO2)N1CCCCC1 ZINC000218600607 570337431 /nfs/dbraw/zinc/33/74/31/570337431.db2.gz RKQNKUBEUXOPLW-AWEZNQCLSA-N 0 0 388.851 3.704 50 70 GHIARN Cn1cc([C@H](O)CNC(=O)CCc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000217576161 222579948 /nfs/dbraw/zinc/57/99/48/222579948.db2.gz CSGUOASKEGIJOP-LJQANCHMSA-N 0 0 390.405 3.980 50 70 GHIARN Cc1nnc(CN(C)C(=O)c2cccnc2SC/C=C/c2ccccc2)o1 ZINC000217134040 570312828 /nfs/dbraw/zinc/31/28/28/570312828.db2.gz GHBQDKUACQWMQV-JXMROGBWSA-N 0 0 380.473 3.851 50 70 GHIARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)oc2c1C(=O)CCC2)CC3 ZINC000218157002 570326445 /nfs/dbraw/zinc/32/64/45/570326445.db2.gz HXTLGPWPEMJLIJ-UHFFFAOYSA-N 0 0 378.428 3.795 50 70 GHIARN COc1c(C)cccc1C(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000218658146 570338664 /nfs/dbraw/zinc/33/86/64/570338664.db2.gz GWWFAMNEHMEIDX-QYGXFBIXSA-N 0 0 376.456 3.794 50 70 GHIARN O=C(Cc1cccs1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217797221 222582565 /nfs/dbraw/zinc/58/25/65/222582565.db2.gz CEZZILJEVMVOSQ-CQSZACIVSA-N 0 0 385.464 3.961 50 70 GHIARN Cc1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)nn1-c1ccc(F)cc1F ZINC000159763023 212160135 /nfs/dbraw/zinc/16/01/35/212160135.db2.gz QREPPZSLJWXYQR-UHFFFAOYSA-N 0 0 393.397 3.956 50 70 GHIARN CC(C)Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1n[nH]c2c1CCC2 ZINC000218301317 570330853 /nfs/dbraw/zinc/33/08/53/570330853.db2.gz PTFHKVVIENDPJK-IBGZPJMESA-N 0 0 377.492 3.881 50 70 GHIARN O=C(Cc1cccs1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217797159 222583014 /nfs/dbraw/zinc/58/30/14/222583014.db2.gz CEZZILJEVMVOSQ-AWEZNQCLSA-N 0 0 385.464 3.961 50 70 GHIARN CC(C)n1c(CCNC(=O)Cc2ccc3c(c2)OCCCO3)nc2ccccc21 ZINC000218169112 222585949 /nfs/dbraw/zinc/58/59/49/222585949.db2.gz RRTOPKFAWDWWMN-UHFFFAOYSA-N 0 0 393.487 3.680 50 70 GHIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)CCc1ccc(OC)cc1 ZINC000218355267 222587844 /nfs/dbraw/zinc/58/78/44/222587844.db2.gz IHWMQYRJNNTFKO-INIZCTEOSA-N 0 0 381.476 3.501 50 70 GHIARN CN(c1ccccc1NC(=O)c1ccc(-c2ccccc2F)o1)S(C)(=O)=O ZINC000161450852 222531888 /nfs/dbraw/zinc/53/18/88/222531888.db2.gz MMGZBIQWVYCOLA-UHFFFAOYSA-N 0 0 388.420 3.734 50 70 GHIARN O=C(NCC1CCOCC1)c1sc(Br)nc1-c1ccccc1 ZINC000218544849 570336583 /nfs/dbraw/zinc/33/65/83/570336583.db2.gz IGXZSQLBWGPNPI-UHFFFAOYSA-N 0 0 381.295 3.729 50 70 GHIARN COC(=O)N(C)c1ccc(NC(=O)c2cnn(-c3ccc(F)cc3F)c2)cc1 ZINC000161027253 570462787 /nfs/dbraw/zinc/46/27/87/570462787.db2.gz JOTCOIULBNFUNE-UHFFFAOYSA-N 0 0 386.358 3.605 50 70 GHIARN Cc1noc(C)c1CC(=O)N1CCC[C@H](Cc2nc(-c3ccccc3C)no2)C1 ZINC000217831393 222582533 /nfs/dbraw/zinc/58/25/33/222582533.db2.gz SNSBXQGJGZNLEK-QGZVFWFLSA-N 0 0 394.475 3.674 50 70 GHIARN CC(=O)c1ccc2c(c1O)[C@@H](c1cccc(Oc3ncccn3)c1)CC(=O)O2 ZINC000218164755 570326912 /nfs/dbraw/zinc/32/69/12/570326912.db2.gz NFLIRBJNZKUYCX-MRXNPFEDSA-N 0 0 376.368 3.618 50 70 GHIARN