smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(N2CCO[C@H]2c2ccn(-c3ccc(Cl)cc3)c2)cc1 ZINC000216718434 241206735 /nfs/dbraw/zinc/20/67/35/241206735.db2.gz YHZSUGPZLOOTEW-FQEVSTJZSA-N 0 0 338.838 4.975 40 70 EJIBRN O=C(OC1CCCCC1)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000216937235 241224997 /nfs/dbraw/zinc/22/49/97/241224997.db2.gz SWPUSXSFIDKVJQ-UHFFFAOYSA-N 0 0 348.398 4.950 40 70 EJIBRN COC(=O)c1c(C)n(C(=O)c2ccc(C(C)C)cc2)c2ccccc21 ZINC000216950651 241227113 /nfs/dbraw/zinc/22/71/13/241227113.db2.gz XMNDKPZGXQJMNM-UHFFFAOYSA-N 0 0 335.403 4.548 40 70 EJIBRN O=c1c2ccccc2[nH]c(CNc2ccccc2)c1Cc1ccccc1 ZINC000217430537 241248649 /nfs/dbraw/zinc/24/86/49/241248649.db2.gz BLOPXBFWUUREAG-UHFFFAOYSA-N 0 0 340.426 4.731 40 70 EJIBRN CC[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(C)c(C)c1 ZINC000217832624 241277471 /nfs/dbraw/zinc/27/74/71/241277471.db2.gz UVKGZPYAEDFNDL-SFHVURJKSA-N 0 0 331.843 4.603 40 70 EJIBRN Cc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000218529841 241329275 /nfs/dbraw/zinc/32/92/75/241329275.db2.gz YHUYGGXJLWKGEJ-QGZVFWFLSA-N 0 0 343.854 4.610 40 70 EJIBRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccccc1 ZINC000217937053 241285515 /nfs/dbraw/zinc/28/55/15/241285515.db2.gz OCYGVDJJKGFWHY-MRXNPFEDSA-N 0 0 326.465 4.584 40 70 EJIBRN CC1(C)C[C@@H](NC(=O)/C=C/c2ccc(Cl)cc2)c2ccccc2O1 ZINC000217958976 241288348 /nfs/dbraw/zinc/28/83/48/241288348.db2.gz UDAOSAFCLDYJIQ-XLNAKTSKSA-N 0 0 341.838 4.772 40 70 EJIBRN CC[C@@H](NC(=O)CSCc1ccccc1)c1ccc(C)c(C)c1 ZINC000218010958 241291478 /nfs/dbraw/zinc/29/14/78/241291478.db2.gz GNMKQYJBQRSCLN-LJQANCHMSA-N 0 0 327.493 4.804 40 70 EJIBRN Cc1ccc([C@@H](C)NC(=O)CSCc2ccccc2C)cc1C ZINC000218017570 241291917 /nfs/dbraw/zinc/29/19/17/241291917.db2.gz VVLUVKQTRAQHJO-QGZVFWFLSA-N 0 0 327.493 4.722 40 70 EJIBRN Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)SCc2ccccc2)c1 ZINC000218065574 241296262 /nfs/dbraw/zinc/29/62/62/241296262.db2.gz VGRFLFXMFFDVBM-IRXDYDNUSA-N 0 0 327.493 4.803 40 70 EJIBRN O=C(CCSc1ccccc1)NCCCc1ccccc1Cl ZINC000218079436 241296348 /nfs/dbraw/zinc/29/63/48/241296348.db2.gz DLZKDGSOSVGLRI-UHFFFAOYSA-N 0 0 333.884 4.571 40 70 EJIBRN Cc1ccc(/C=C/C(=O)NCCCc2ccc(OC(C)C)cc2)cc1 ZINC000218178435 241303460 /nfs/dbraw/zinc/30/34/60/241303460.db2.gz QRGKKYVPRVZMKH-NTCAYCPXSA-N 0 0 337.463 4.544 40 70 EJIBRN Cc1ccc(/C=C/C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 ZINC000218180091 241303732 /nfs/dbraw/zinc/30/37/32/241303732.db2.gz MSDBVKIWIYXJEV-RDELFYGPSA-N 0 0 335.447 4.735 40 70 EJIBRN CSc1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000218192741 241304481 /nfs/dbraw/zinc/30/44/81/241304481.db2.gz NFMOAULJHKNXAH-MRXNPFEDSA-N 0 0 341.476 4.749 40 70 EJIBRN CC[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1)c1ccc(C)cc1C ZINC000218689626 241339547 /nfs/dbraw/zinc/33/95/47/241339547.db2.gz NNWSZXUELZILLW-FXAWDEMLSA-N 0 0 325.452 4.647 40 70 EJIBRN CC[C@H](NC(=O)COc1ccc(C)c(C)c1)c1ccc(C)cc1C ZINC000218722933 241340310 /nfs/dbraw/zinc/34/03/10/241340310.db2.gz SBWWLFHQLLPEIP-FQEVSTJZSA-N 0 0 325.452 4.567 40 70 EJIBRN CC[C@@H](NC(=O)Nc1cccc(OC)c1)c1ccc2c(c1)CCCC2 ZINC000217273222 535796795 /nfs/dbraw/zinc/79/67/95/535796795.db2.gz QQSLDCJCBINWQH-HXUWFJFHSA-N 0 0 338.451 4.847 40 70 EJIBRN CCc1ccccc1-n1ccc([C@@H]2OCCN2c2ccccc2OC)c1 ZINC000216722542 535921337 /nfs/dbraw/zinc/92/13/37/535921337.db2.gz HQDKJCWNTCGPPX-QFIPXVFZSA-N 0 0 348.446 4.584 40 70 EJIBRN CCc1ccc(-n2ccc([C@H]3OCCN3c3ccccc3OC)c2)cc1 ZINC000216722253 241205603 /nfs/dbraw/zinc/20/56/03/241205603.db2.gz LNJUAMQFXVBPGI-JOCHJYFZSA-N 0 0 348.446 4.584 40 70 EJIBRN CCOc1ccc(-n2ccc([C@@H]3OCCN3c3ccc(C)cc3)c2)cc1 ZINC000216719438 241205943 /nfs/dbraw/zinc/20/59/43/241205943.db2.gz PAAZGFWBKFMJFT-QFIPXVFZSA-N 0 0 348.446 4.720 40 70 EJIBRN COC(=O)c1cc(C)c(OC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000216726460 241206425 /nfs/dbraw/zinc/20/64/25/241206425.db2.gz IKHIAFOQNKTMRU-UHFFFAOYSA-N 0 0 340.419 4.607 40 70 EJIBRN CCc1ccc(-n2ccc([C@H]3OCCN3c3ccc(C)cc3)c2)cc1 ZINC000216719592 241206470 /nfs/dbraw/zinc/20/64/70/241206470.db2.gz WVDKEZMTQSPIKF-JOCHJYFZSA-N 0 0 332.447 4.884 40 70 EJIBRN Fc1ccc(N2CCO[C@H]2c2ccn(-c3cccc(Cl)c3)c2)cc1 ZINC000216731805 241207115 /nfs/dbraw/zinc/20/71/15/241207115.db2.gz RTYUHJFJJBKWFN-IBGZPJMESA-N 0 0 342.801 4.805 40 70 EJIBRN CCc1ccc(-n2ccc([C@H]3OCCN3Cc3ccccc3)c2)cc1 ZINC000216735807 241207355 /nfs/dbraw/zinc/20/73/55/241207355.db2.gz SMSAHUGDDVTBBB-JOCHJYFZSA-N 0 0 332.447 4.571 40 70 EJIBRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(Cl)c1 ZINC000217852952 241278549 /nfs/dbraw/zinc/27/85/49/241278549.db2.gz YEXQTHIEILZQNU-MRXNPFEDSA-N 0 0 329.827 4.681 40 70 EJIBRN Cc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc(F)cc1)CC(C)(C)O2 ZINC000217913136 241283360 /nfs/dbraw/zinc/28/33/60/241283360.db2.gz WALIHMMCEPQOMQ-JGZYNSJSSA-N 0 0 339.410 4.566 40 70 EJIBRN CC1(C)C[C@H](NC(=O)/C=C/c2ccc(Cl)cc2)c2ccccc2O1 ZINC000217959047 241287169 /nfs/dbraw/zinc/28/71/69/241287169.db2.gz UDAOSAFCLDYJIQ-KQPPXVQYSA-N 0 0 341.838 4.772 40 70 EJIBRN Cc1ccc([C@H](C)NC(=O)CSCc2ccccc2C)cc1C ZINC000218017652 241291746 /nfs/dbraw/zinc/29/17/46/241291746.db2.gz VVLUVKQTRAQHJO-KRWDZBQOSA-N 0 0 327.493 4.722 40 70 EJIBRN CC[C@H](NC(=O)CSCc1ccccc1)c1ccc(C)c(C)c1 ZINC000218011052 241292164 /nfs/dbraw/zinc/29/21/64/241292164.db2.gz GNMKQYJBQRSCLN-IBGZPJMESA-N 0 0 327.493 4.804 40 70 EJIBRN Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)SCc2ccccc2)c1 ZINC000218065335 241295216 /nfs/dbraw/zinc/29/52/16/241295216.db2.gz VGRFLFXMFFDVBM-IAGOWNOFSA-N 0 0 327.493 4.803 40 70 EJIBRN O=C(CCSc1ccccc1)NCCCc1ccc(Cl)cc1 ZINC000218079524 241296236 /nfs/dbraw/zinc/29/62/36/241296236.db2.gz RQEXDZBPULLNSM-UHFFFAOYSA-N 0 0 333.884 4.571 40 70 EJIBRN O=C(NCc1ccc(Cl)cc1)/C(=C/c1ccco1)c1ccccc1 ZINC000218095580 241297757 /nfs/dbraw/zinc/29/77/57/241297757.db2.gz CVGHQLJIYYIIPU-CPNJWEJPSA-N 0 0 337.806 4.790 40 70 EJIBRN Cc1ccc(S[C@H](C)C(=O)NCCCc2ccc(Cl)cc2)cc1 ZINC000218136122 241300403 /nfs/dbraw/zinc/30/04/03/241300403.db2.gz YFGMQNVZHUSAML-OAHLLOKOSA-N 0 0 347.911 4.878 40 70 EJIBRN Cc1ccc(SCCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 ZINC000218150005 241302246 /nfs/dbraw/zinc/30/22/46/241302246.db2.gz NRLZJDSAIPQNGW-KRWDZBQOSA-N 0 0 327.493 4.971 40 70 EJIBRN CC[C@H](NC(=O)c1ccccc1Br)c1ccc(C)cc1C ZINC000218222638 241308118 /nfs/dbraw/zinc/30/81/18/241308118.db2.gz DKQGCOHKRGRPPE-KRWDZBQOSA-N 0 0 346.268 4.947 40 70 EJIBRN CC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc(C)c(C)c1 ZINC000218679279 241338569 /nfs/dbraw/zinc/33/85/69/241338569.db2.gz VHSDCVSKKHDVFZ-KXBFYZLASA-N 0 0 345.870 4.992 40 70 EJIBRN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1C ZINC000218678694 241338608 /nfs/dbraw/zinc/33/86/08/241338608.db2.gz IUAJPZXFFXVCNM-HUUCEWRRSA-N 0 0 331.843 4.602 40 70 EJIBRN CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc(C)c(C)c1 ZINC000218679208 241339784 /nfs/dbraw/zinc/33/97/84/241339784.db2.gz VHSDCVSKKHDVFZ-HNAYVOBHSA-N 0 0 345.870 4.992 40 70 EJIBRN CC[C@@H](NC(=O)COc1ccc(C)c(C)c1)c1ccc(C)c(C)c1 ZINC000218722671 241341952 /nfs/dbraw/zinc/34/19/52/241341952.db2.gz VGKTUXCKPGARQG-HXUWFJFHSA-N 0 0 325.452 4.567 40 70 EJIBRN CCCCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2CC(C)C ZINC000217766522 535327655 /nfs/dbraw/zinc/32/76/55/535327655.db2.gz CELQKFZXBXJBQZ-UHFFFAOYSA-N 0 0 331.456 4.961 40 70 EJIBRN CC(C)c1ccc(CCCNC(=O)COc2ccc(Cl)cc2)cc1 ZINC000217833821 535370967 /nfs/dbraw/zinc/37/09/67/535370967.db2.gz LJMMUFONPICVBN-UHFFFAOYSA-N 0 0 345.870 4.591 40 70 EJIBRN CCc1ccccc1-n1ccc([C@@H]2OCCN2c2cccc(OC)c2)c1 ZINC000216725242 535921598 /nfs/dbraw/zinc/92/15/98/535921598.db2.gz FDWCSANBMFTNLA-QFIPXVFZSA-N 0 0 348.446 4.584 40 70 EJIBRN Cc1cccc(N2CCO[C@H]2c2ccn(-c3cccc(Cl)c3)c2)c1 ZINC000216715610 241204499 /nfs/dbraw/zinc/20/44/99/241204499.db2.gz BLFWEZARTJNPEQ-FQEVSTJZSA-N 0 0 338.838 4.975 40 70 EJIBRN Cc1ccc(-n2ccc([C@H]3OCCN3Cc3cccc(C)c3)c2)cc1 ZINC000216739889 241208092 /nfs/dbraw/zinc/20/80/92/241208092.db2.gz ZUAXPSLNHKQPJW-JOCHJYFZSA-N 0 0 332.447 4.625 40 70 EJIBRN CCOc1cc(C(=O)OC)ccc1OCc1cccc2ccccc21 ZINC000216852937 241214617 /nfs/dbraw/zinc/21/46/17/241214617.db2.gz ZPTNDAQXTNGVLN-UHFFFAOYSA-N 0 0 336.387 4.604 40 70 EJIBRN COc1ccc(CN(C)C(=O)c2cc3c(ccc4ccccc34)o2)cc1 ZINC000218493769 241325914 /nfs/dbraw/zinc/32/59/14/241325914.db2.gz WNEDLPQJGZXRNQ-UHFFFAOYSA-N 0 0 345.398 4.867 40 70 EJIBRN CC[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(C)cc1C ZINC000217832835 241277959 /nfs/dbraw/zinc/27/79/59/241277959.db2.gz MUQLYOYBGUQRST-SFHVURJKSA-N 0 0 331.843 4.603 40 70 EJIBRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(Cl)cc1 ZINC000217850301 241278481 /nfs/dbraw/zinc/27/84/81/241278481.db2.gz STVYCXXGOOKMCC-MRXNPFEDSA-N 0 0 329.827 4.681 40 70 EJIBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(Cl)cc1 ZINC000217850230 241279164 /nfs/dbraw/zinc/27/91/64/241279164.db2.gz STVYCXXGOOKMCC-INIZCTEOSA-N 0 0 329.827 4.681 40 70 EJIBRN CCOc1ccc(CCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000217857941 241279735 /nfs/dbraw/zinc/27/97/35/241279735.db2.gz CUZNOYKTCROFKC-UHFFFAOYSA-N 0 0 339.479 4.745 40 70 EJIBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccccc1 ZINC000217936974 241285220 /nfs/dbraw/zinc/28/52/20/241285220.db2.gz OCYGVDJJKGFWHY-INIZCTEOSA-N 0 0 326.465 4.584 40 70 EJIBRN CC(C)(C)c1ccc(/C=C/C(=O)NCCCc2ccc(F)cc2)cc1 ZINC000217950692 241285527 /nfs/dbraw/zinc/28/55/27/241285527.db2.gz JYQUUAWJVADUGZ-XNTDXEJSSA-N 0 0 339.454 4.885 40 70 EJIBRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSc1ccccc1 ZINC000217972924 241287932 /nfs/dbraw/zinc/28/79/32/241287932.db2.gz WZYVXJYKWFOAFK-QGZVFWFLSA-N 0 0 341.476 4.506 40 70 EJIBRN Cc1ccc(SCC(=O)NCCCc2ccc(C(C)C)cc2)cc1 ZINC000217979737 241288793 /nfs/dbraw/zinc/28/87/93/241288793.db2.gz MQIPMOHUZCVMFK-UHFFFAOYSA-N 0 0 341.520 4.960 40 70 EJIBRN Cc1ccc(C)c([C@@H](C)NC(=O)CSCc2ccccc2C)c1 ZINC000218013848 241292580 /nfs/dbraw/zinc/29/25/80/241292580.db2.gz SWAUCKSDMCXQSD-QGZVFWFLSA-N 0 0 327.493 4.722 40 70 EJIBRN O=C(NCCSc1ccccc1)/C(=C/c1ccco1)c1ccccc1 ZINC000218094725 241297515 /nfs/dbraw/zinc/29/75/15/241297515.db2.gz QPHWPMUUNLJOSP-CAPFRKAQSA-N 0 0 349.455 4.729 40 70 EJIBRN Cc1ccc(S[C@@H](C)C(=O)NCCCc2ccccc2Cl)cc1 ZINC000218135889 241299208 /nfs/dbraw/zinc/29/92/08/241299208.db2.gz CENXBOWFKLXLFE-HNNXBMFYSA-N 0 0 347.911 4.878 40 70 EJIBRN CSc1ccccc1C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000218192823 241303545 /nfs/dbraw/zinc/30/35/45/241303545.db2.gz NFMOAULJHKNXAH-INIZCTEOSA-N 0 0 341.476 4.749 40 70 EJIBRN CSc1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000218192921 241303637 /nfs/dbraw/zinc/30/36/37/241303637.db2.gz NPXVBQUZCBPRSK-MRXNPFEDSA-N 0 0 341.476 4.749 40 70 EJIBRN Cc1cccc(O[C@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)c1 ZINC000218691541 241338883 /nfs/dbraw/zinc/33/88/83/241338883.db2.gz BGNYBMHCIUKFQE-GOSISDBHSA-N 0 0 339.479 4.635 40 70 EJIBRN CCOc1ccccc1-n1ccc([C@@H]2OCCN2c2cccc(C)c2)c1 ZINC000216717495 535483000 /nfs/dbraw/zinc/48/30/00/535483000.db2.gz JDWXUALSIOESFL-QFIPXVFZSA-N 0 0 348.446 4.720 40 70 EJIBRN CCOc1ccccc1-n1ccc([C@H]2OCCN2c2cccc(C)c2)c1 ZINC000216717540 535483302 /nfs/dbraw/zinc/48/33/02/535483302.db2.gz JDWXUALSIOESFL-JOCHJYFZSA-N 0 0 348.446 4.720 40 70 EJIBRN CCc1ccc(N2CCO[C@H]2c2ccn(-c3ccc(C)cc3)c2)cc1 ZINC000216728939 536184611 /nfs/dbraw/zinc/18/46/11/536184611.db2.gz HQUFQCFWFOPVSS-QFIPXVFZSA-N 0 0 332.447 4.884 40 70 EJIBRN CCc1ccc(N2CCO[C@H]2c2ccn(-c3cccc(C)c3)c2)cc1 ZINC000216728843 536184701 /nfs/dbraw/zinc/18/47/01/536184701.db2.gz SHFUTBBBCPILOR-QFIPXVFZSA-N 0 0 332.447 4.884 40 70 EJIBRN Cc1ccccc1-n1ccc([C@H]2SCC(=O)N2Cc2ccccc2)c1 ZINC000216672896 241204129 /nfs/dbraw/zinc/20/41/29/241204129.db2.gz SPZBFAXASQCIJS-OAQYLSRUSA-N 0 0 348.471 4.560 40 70 EJIBRN CCOC(=O)c1c(C)n(CC(C)C)c2ccc(OCC(C)C)cc21 ZINC000217765682 241272416 /nfs/dbraw/zinc/27/24/16/241272416.db2.gz YHVAWMXWPZJPGJ-UHFFFAOYSA-N 0 0 331.456 4.817 40 70 EJIBRN Fc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(Cl)cc3)c2)cc1 ZINC000216731868 241205817 /nfs/dbraw/zinc/20/58/17/241205817.db2.gz XVUYVDQEUQNMSD-LJQANCHMSA-N 0 0 342.801 4.805 40 70 EJIBRN Cc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccc(C)cc3)c2)cc1 ZINC000216737048 241208634 /nfs/dbraw/zinc/20/86/34/241208634.db2.gz CSSRFBZMGXSZMW-JOCHJYFZSA-N 0 0 332.447 4.625 40 70 EJIBRN CCc1ccc(-n2ccc([C@@H]3OCCN3Cc3cccc(C)c3)c2)cc1 ZINC000216741292 241209070 /nfs/dbraw/zinc/20/90/70/241209070.db2.gz KKBZHFSDEYBELY-QHCPKHFHSA-N 0 0 346.474 4.879 40 70 EJIBRN CCCn1c(C)c(C(=O)OCC)c2cc(OC3CCCC3)ccc21 ZINC000217768290 241275822 /nfs/dbraw/zinc/27/58/22/241275822.db2.gz QXNGJYUVBORCAO-UHFFFAOYSA-N 0 0 329.440 4.858 40 70 EJIBRN COc1ccc(CN(C)C(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000217948964 241286300 /nfs/dbraw/zinc/28/63/00/241286300.db2.gz OZPAAWADDKKIAA-XNTDXEJSSA-N 0 0 337.463 4.665 40 70 EJIBRN O=C(/C=C/c1ccc(Cl)cc1)NCCCc1ccc(Cl)cc1 ZINC000217957866 241287423 /nfs/dbraw/zinc/28/74/23/241287423.db2.gz GEZBEORNHHDCPZ-KPKJPENVSA-N 0 0 334.246 4.756 40 70 EJIBRN CC[C@H](NC(=O)CSc1ccc(C)cc1)c1ccc(C)c(C)c1 ZINC000217978229 241288732 /nfs/dbraw/zinc/28/87/32/241288732.db2.gz QZAUHQUKSSDERN-IBGZPJMESA-N 0 0 327.493 4.971 40 70 EJIBRN Cc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 ZINC000218141621 241299834 /nfs/dbraw/zinc/29/98/34/241299834.db2.gz HVWZWFISJIFORP-SJORKVTESA-N 0 0 327.493 4.970 40 70 EJIBRN Cc1ccc(S[C@H](C)C(=O)NCCCc2ccccc2Cl)cc1 ZINC000218135964 241300476 /nfs/dbraw/zinc/30/04/76/241300476.db2.gz CENXBOWFKLXLFE-OAHLLOKOSA-N 0 0 347.911 4.878 40 70 EJIBRN Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000218164479 241301252 /nfs/dbraw/zinc/30/12/52/241301252.db2.gz HDTKYHJUIVJJCF-GOSISDBHSA-N 0 0 345.442 4.859 40 70 EJIBRN Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1C ZINC000218678936 241339023 /nfs/dbraw/zinc/33/90/23/241339023.db2.gz IUAJPZXFFXVCNM-GJZGRUSLSA-N 0 0 331.843 4.602 40 70 EJIBRN CC[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc(C)c(C)c1 ZINC000218689194 241339798 /nfs/dbraw/zinc/33/97/98/241339798.db2.gz UMGJGKLKNQFIQW-XLIONFOSSA-N 0 0 325.452 4.647 40 70 EJIBRN Cc1ccc(C)c([C@H](C)NC(=O)CCCOc2ccc(Cl)cc2)c1 ZINC000218735082 241340645 /nfs/dbraw/zinc/34/06/45/241340645.db2.gz LIOOUELPVUZTBM-INIZCTEOSA-N 0 0 345.870 4.993 40 70 EJIBRN FC(F)(F)c1cncnc1N(Cc1ccccc1)Cc1ccccc1 ZINC000218730001 241342189 /nfs/dbraw/zinc/34/21/89/241342189.db2.gz QKXSPNJPRVVZLA-UHFFFAOYSA-N 0 0 343.352 4.702 40 70 EJIBRN CC(C)c1ccc(CCCNC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000218532044 535370914 /nfs/dbraw/zinc/37/09/14/535370914.db2.gz RMFOYQKUSIDEMV-UHFFFAOYSA-N 0 0 329.871 4.755 40 70 EJIBRN CC[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(C)c(C)c1 ZINC000217870296 535872413 /nfs/dbraw/zinc/87/24/13/535872413.db2.gz SHHCQPTVBSFJKM-KRWDZBQOSA-N 0 0 346.268 4.947 40 70 EJIBRN CCOc1cccc(-n2ccc([C@@H]3OCCN3c3ccc(C)cc3)c2)c1 ZINC000216720323 241206072 /nfs/dbraw/zinc/20/60/72/241206072.db2.gz YHIWUBSYKPGOQP-QFIPXVFZSA-N 0 0 348.446 4.720 40 70 EJIBRN Cc1ccc(CN2CCO[C@@H]2c2ccn(-c3cccc(C)c3)c2)cc1 ZINC000216736938 241208275 /nfs/dbraw/zinc/20/82/75/241208275.db2.gz CRBXSNBUTXIMIJ-JOCHJYFZSA-N 0 0 332.447 4.625 40 70 EJIBRN Cc1ccc(-n2ccc([C@@H]3OCCN3Cc3cccc(C)c3)c2)cc1 ZINC000216739840 241209042 /nfs/dbraw/zinc/20/90/42/241209042.db2.gz ZUAXPSLNHKQPJW-QFIPXVFZSA-N 0 0 332.447 4.625 40 70 EJIBRN COC(=O)c1cc(-c2ccc3c4c(cccc42)CC3)nc2ccccc21 ZINC000216941914 241225731 /nfs/dbraw/zinc/22/57/31/241225731.db2.gz YPCRXNWKEMNXQL-UHFFFAOYSA-N 0 0 339.394 4.940 40 70 EJIBRN Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(Cl)c1)CC(C)(C)O2 ZINC000217852765 241280039 /nfs/dbraw/zinc/28/00/39/241280039.db2.gz XGEQRTAUEUHMCY-MRXNPFEDSA-N 0 0 329.827 4.681 40 70 EJIBRN Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccccc1)CC(C)(C)O2 ZINC000217936790 241285375 /nfs/dbraw/zinc/28/53/75/241285375.db2.gz GIBLRTKSOVARKN-INIZCTEOSA-N 0 0 326.465 4.584 40 70 EJIBRN C[C@@H](SCc1ccccc1)C(=O)NCCCc1ccccc1Cl ZINC000218065677 241296199 /nfs/dbraw/zinc/29/61/99/241296199.db2.gz LBKMBAGWPLFYJY-OAHLLOKOSA-N 0 0 347.911 4.711 40 70 EJIBRN COc1ccc(C)cc1NC(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000218096791 241298594 /nfs/dbraw/zinc/29/85/94/241298594.db2.gz BPWGITFXJBMYEB-NBVRZTHBSA-N 0 0 333.387 4.776 40 70 EJIBRN Cc1ccc(S[C@H](C)C(=O)NCc2cccc(OC(C)C)c2)cc1 ZINC000218135042 241299195 /nfs/dbraw/zinc/29/91/95/241299195.db2.gz AAYVLIZVRCGAMU-MRXNPFEDSA-N 0 0 343.492 4.579 40 70 EJIBRN CSc1ccccc1C(=O)NCCCc1ccc(C(C)C)cc1 ZINC000218194559 241306533 /nfs/dbraw/zinc/30/65/33/241306533.db2.gz YUKHZKVFXRIRFT-UHFFFAOYSA-N 0 0 327.493 4.895 40 70 EJIBRN CC[C@@H](NC(=O)c1ccccc1Br)c1ccc(C)cc1C ZINC000218222563 241307639 /nfs/dbraw/zinc/30/76/39/241307639.db2.gz DKQGCOHKRGRPPE-QGZVFWFLSA-N 0 0 346.268 4.947 40 70 EJIBRN CC[C@@H](NC(=O)c1cc2cccc(OC)c2o1)c1ccc(C)cc1C ZINC000218618011 241335476 /nfs/dbraw/zinc/33/54/76/241335476.db2.gz VPNSWYNUTQAHLM-QGZVFWFLSA-N 0 0 337.419 4.939 40 70 EJIBRN CC[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1)c1ccc(C)cc1C ZINC000218689713 241339481 /nfs/dbraw/zinc/33/94/81/241339481.db2.gz NNWSZXUELZILLW-PXNSSMCTSA-N 0 0 325.452 4.647 40 70 EJIBRN Cc1ccc(OCC(=O)NCCCc2ccc(C(C)C)cc2)cc1C ZINC000218724203 241340565 /nfs/dbraw/zinc/34/05/65/241340565.db2.gz JIEZKJPMCUDIPP-UHFFFAOYSA-N 0 0 339.479 4.555 40 70 EJIBRN CC[C@@H](NC(=O)CCCOc1ccccc1)c1ccc(C)cc1C ZINC000218727889 241341581 /nfs/dbraw/zinc/34/15/81/241341581.db2.gz TWSHQCBFBMZHAU-HXUWFJFHSA-N 0 0 325.452 4.730 40 70 EJIBRN CC[C@H](NC(=O)COc1ccc(C)c(C)c1)c1ccc(C)c(C)c1 ZINC000218722744 241342398 /nfs/dbraw/zinc/34/23/98/241342398.db2.gz VGKTUXCKPGARQG-FQEVSTJZSA-N 0 0 325.452 4.567 40 70 EJIBRN CCOc1ccccc1-n1ccc([C@@H]2OCCN2c2ccc(C)cc2)c1 ZINC000216720207 535482989 /nfs/dbraw/zinc/48/29/89/535482989.db2.gz XUIRYCIURJTHFY-QFIPXVFZSA-N 0 0 348.446 4.720 40 70 EJIBRN CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc(C)c(C)c1 ZINC000218689110 535797586 /nfs/dbraw/zinc/79/75/86/535797586.db2.gz UMGJGKLKNQFIQW-YLJYHZDGSA-N 0 0 325.452 4.647 40 70 EJIBRN CCc1ccccc1-n1ccc([C@H]2OCCN2Cc2cccc(C)c2)c1 ZINC000216742056 535921700 /nfs/dbraw/zinc/92/17/00/535921700.db2.gz TYLFAVUGSCFZOC-HSZRJFAPSA-N 0 0 346.474 4.879 40 70 EJIBRN CCc1ccc(N2CCO[C@H]2c2ccn(-c3cccc(F)c3)c2)cc1 ZINC000216730961 536184627 /nfs/dbraw/zinc/18/46/27/536184627.db2.gz POLASOLQNYSHOS-NRFANRHFSA-N 0 0 336.410 4.714 40 70 EJIBRN CCc1ccc(N2CCO[C@H]2c2ccn(-c3ccc(OC)cc3)c2)cc1 ZINC000216730171 536184954 /nfs/dbraw/zinc/18/49/54/536184954.db2.gz NLWUGEFUQVHKFG-QFIPXVFZSA-N 0 0 348.446 4.584 40 70 EJIBRN Cc1ccc(-n2ccc([C@H]3SCC(=O)N3Cc3ccccc3)c2)cc1 ZINC000216673103 241203835 /nfs/dbraw/zinc/20/38/35/241203835.db2.gz JQDKTCNMLVYKOI-OAQYLSRUSA-N 0 0 348.471 4.560 40 70 EJIBRN Cc1ccccc1-n1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)c1 ZINC000216672859 241204039 /nfs/dbraw/zinc/20/40/39/241204039.db2.gz SPZBFAXASQCIJS-NRFANRHFSA-N 0 0 348.471 4.560 40 70 EJIBRN Cc1cccc(-n2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)c2)c1 ZINC000216672959 241204264 /nfs/dbraw/zinc/20/42/64/241204264.db2.gz ZSXZDMHVTYAHRW-NRFANRHFSA-N 0 0 348.471 4.560 40 70 EJIBRN Cc1cccc(N2CCO[C@H]2c2ccn(-c3ccc(Cl)cc3)c2)c1 ZINC000216715719 241204315 /nfs/dbraw/zinc/20/43/15/241204315.db2.gz VLKHJDVZJGCZPQ-FQEVSTJZSA-N 0 0 338.838 4.975 40 70 EJIBRN CCCCn1c(C)c(C(=O)OCC)c2cc(OCC(C)C)ccc21 ZINC000217765477 241272646 /nfs/dbraw/zinc/27/26/46/241272646.db2.gz ZPZQIWQMIITYFS-UHFFFAOYSA-N 0 0 331.456 4.961 40 70 EJIBRN CC[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(C)cc1C ZINC000217832747 241277075 /nfs/dbraw/zinc/27/70/75/241277075.db2.gz MUQLYOYBGUQRST-GOSISDBHSA-N 0 0 331.843 4.603 40 70 EJIBRN Fc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3Cl)c2)cc1 ZINC000216731655 241206402 /nfs/dbraw/zinc/20/64/02/241206402.db2.gz TZHSFTAKVFSSPG-LJQANCHMSA-N 0 0 342.801 4.805 40 70 EJIBRN Clc1cccc(-n2ccc([C@@H]3OCCN3Cc3ccccc3)c2)c1 ZINC000216734447 241206925 /nfs/dbraw/zinc/20/69/25/241206925.db2.gz IFOJCUURKFYBLW-FQEVSTJZSA-N 0 0 338.838 4.662 40 70 EJIBRN Clc1ccc(-n2ccc([C@H]3OCCN3Cc3ccccc3)c2)cc1 ZINC000216734606 241207045 /nfs/dbraw/zinc/20/70/45/241207045.db2.gz RXBMGVCLBLMAEJ-HXUWFJFHSA-N 0 0 338.838 4.662 40 70 EJIBRN Nc1nnc(/C=C/c2cccc(OCc3cccc4ccccc43)c2)o1 ZINC000216906310 241220641 /nfs/dbraw/zinc/22/06/41/241220641.db2.gz WOOPCEILBJWBGC-VAWYXSNFSA-N 0 0 343.386 4.554 40 70 EJIBRN COC(=O)c1c(C)n(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 ZINC000216950673 241228097 /nfs/dbraw/zinc/22/80/97/241228097.db2.gz QTJARUHCJUQZPE-UHFFFAOYSA-N 0 0 349.430 4.722 40 70 EJIBRN CC[C@@H](NC(=O)Nc1ccccc1OC)c1ccc2c(c1)CCCC2 ZINC000217267992 241244174 /nfs/dbraw/zinc/24/41/74/241244174.db2.gz VWHYJLBIXHBJDA-GOSISDBHSA-N 0 0 338.451 4.847 40 70 EJIBRN O=C(COc1ccc(Cl)cc1)Nc1ccc(OC2CCCC2)cc1 ZINC000217830646 241276303 /nfs/dbraw/zinc/27/63/03/241276303.db2.gz KRWMGIVBJFXASO-UHFFFAOYSA-N 0 0 345.826 4.679 40 70 EJIBRN COc1ccc(CCNC(=O)c2cc3c(ccc4ccccc34)o2)cc1 ZINC000218494190 241326269 /nfs/dbraw/zinc/32/62/69/241326269.db2.gz NEADTXYBMHFTGQ-UHFFFAOYSA-N 0 0 345.398 4.567 40 70 EJIBRN COc1ccccc1/C=C/C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000217965861 241287150 /nfs/dbraw/zinc/28/71/50/241287150.db2.gz ZFTBFEJJXHJOLG-XNTDXEJSSA-N 0 0 337.419 4.669 40 70 EJIBRN Cc1ccc(SCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 ZINC000217976403 241287644 /nfs/dbraw/zinc/28/76/44/241287644.db2.gz HGQZWZYBNMGKQX-QGZVFWFLSA-N 0 0 341.476 4.506 40 70 EJIBRN C[C@@H](Sc1ccccc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000218057233 241293335 /nfs/dbraw/zinc/29/33/35/241293335.db2.gz RBYGOKHYONWXTO-RHSMWYFYSA-N 0 0 341.476 4.586 40 70 EJIBRN Cc1ccc([C@H](C)NC(=O)[C@H](C)SCc2ccccc2)cc1C ZINC000218071568 241295744 /nfs/dbraw/zinc/29/57/44/241295744.db2.gz YMDWSSKBYYLCHU-IRXDYDNUSA-N 0 0 327.493 4.803 40 70 EJIBRN CC1(C)C[C@@H](NC(=O)CCSc2ccccc2)c2ccccc2O1 ZINC000218080729 241295788 /nfs/dbraw/zinc/29/57/88/241295788.db2.gz SWDIIDPVPHZXPY-QGZVFWFLSA-N 0 0 341.476 4.587 40 70 EJIBRN CC1(C)C[C@H](NC(=O)CCSc2ccccc2)c2ccccc2O1 ZINC000218080807 241296680 /nfs/dbraw/zinc/29/66/80/241296680.db2.gz SWDIIDPVPHZXPY-KRWDZBQOSA-N 0 0 341.476 4.587 40 70 EJIBRN Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000218164700 241301821 /nfs/dbraw/zinc/30/18/21/241301821.db2.gz JSTAPCCPCNIOSM-GOSISDBHSA-N 0 0 345.442 4.859 40 70 EJIBRN CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc(C)cc1C ZINC000218679565 241338536 /nfs/dbraw/zinc/33/85/36/241338536.db2.gz WFQLLUUMWFDLSI-HNAYVOBHSA-N 0 0 345.870 4.992 40 70 EJIBRN CC[C@@H](NC(=O)COc1cc(C)cc(C)c1)c1ccc(C)c(C)c1 ZINC000218695055 241339202 /nfs/dbraw/zinc/33/92/02/241339202.db2.gz XPSINFGYWZVFPL-HXUWFJFHSA-N 0 0 325.452 4.567 40 70 EJIBRN CC[C@H](NC(=O)COc1cc(C)cc(C)c1)c1ccc(C)c(C)c1 ZINC000218695136 241339651 /nfs/dbraw/zinc/33/96/51/241339651.db2.gz XPSINFGYWZVFPL-FQEVSTJZSA-N 0 0 325.452 4.567 40 70 EJIBRN Cc1ccc([C@H](C)NC(=O)CCCOc2ccc(Cl)cc2)cc1C ZINC000218737644 241340758 /nfs/dbraw/zinc/34/07/58/241340758.db2.gz YPKKMBOWDCJNRJ-INIZCTEOSA-N 0 0 345.870 4.993 40 70 EJIBRN CC[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(C)c(C)c1 ZINC000217870217 535799924 /nfs/dbraw/zinc/79/99/24/535799924.db2.gz SHHCQPTVBSFJKM-QGZVFWFLSA-N 0 0 346.268 4.947 40 70 EJIBRN CC[C@H](NC(=O)c1cc2cccc(OC)c2o1)c1ccc(C)cc1C ZINC000218618077 535868792 /nfs/dbraw/zinc/86/87/92/535868792.db2.gz VPNSWYNUTQAHLM-KRWDZBQOSA-N 0 0 337.419 4.939 40 70 EJIBRN CCc1ccccc1-n1ccc([C@@H]2OCCN2c2ccc(C)cc2)c1 ZINC000216719887 535921171 /nfs/dbraw/zinc/92/11/71/535921171.db2.gz XGHTXDMCPOFNFW-QFIPXVFZSA-N 0 0 332.447 4.884 40 70 EJIBRN CCc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(OC)cc3)c2)cc1 ZINC000216730126 536184516 /nfs/dbraw/zinc/18/45/16/536184516.db2.gz NLWUGEFUQVHKFG-JOCHJYFZSA-N 0 0 348.446 4.584 40 70 EJIBRN CCc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3C)c2)cc1 ZINC000216728663 536184569 /nfs/dbraw/zinc/18/45/69/536184569.db2.gz CWKHEXNQFRGWCT-JOCHJYFZSA-N 0 0 332.447 4.884 40 70 EJIBRN CCc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3OC)c2)cc1 ZINC000216730083 536184673 /nfs/dbraw/zinc/18/46/73/536184673.db2.gz RLQGXZHBXXSPCD-QFIPXVFZSA-N 0 0 348.446 4.584 40 70 EJIBRN COc1ccc(-c2csc(Nc3ccc(C)c(C)c3)n2)cc1N ZINC000217685928 536499891 /nfs/dbraw/zinc/49/98/91/536499891.db2.gz QHMIADVRMLIJNO-UHFFFAOYSA-N 0 0 325.437 4.761 40 70 EJIBRN Cc1cccc(N2CCO[C@H]2c2ccn(-c3ccccc3Cl)c2)c1 ZINC000216715487 241203420 /nfs/dbraw/zinc/20/34/20/241203420.db2.gz CDRAGVHMTBBDHU-FQEVSTJZSA-N 0 0 338.838 4.975 40 70 EJIBRN CCOc1ccc(-n2ccc([C@H]3OCCN3c3cccc(C)c3)c2)cc1 ZINC000216716754 241204335 /nfs/dbraw/zinc/20/43/35/241204335.db2.gz ULXLCBUPLZVIRS-JOCHJYFZSA-N 0 0 348.446 4.720 40 70 EJIBRN Clc1cccc(-n2ccc([C@H]3OCCN3Cc3ccccc3)c2)c1 ZINC000216734488 241207078 /nfs/dbraw/zinc/20/70/78/241207078.db2.gz IFOJCUURKFYBLW-HXUWFJFHSA-N 0 0 338.838 4.662 40 70 EJIBRN Cc1cccc(CN2CCO[C@H]2c2ccn(-c3ccccc3C)c2)c1 ZINC000216739652 241208244 /nfs/dbraw/zinc/20/82/44/241208244.db2.gz QEPKQLLDONDVRX-QFIPXVFZSA-N 0 0 332.447 4.625 40 70 EJIBRN Cc1cc2nc(C3=CCN(Cc4ccccc4F)CC3)oc2c(C)c1 ZINC000216784430 241210688 /nfs/dbraw/zinc/21/06/88/241210688.db2.gz XGBOORYZBLANOB-UHFFFAOYSA-N 0 0 336.410 4.873 40 70 EJIBRN Nc1nnc(/C=C/c2ccc(OCc3cccc4ccccc43)cc2)o1 ZINC000216893097 241218127 /nfs/dbraw/zinc/21/81/27/241218127.db2.gz VOAUWTVGDDLQHW-JLHYYAGUSA-N 0 0 343.386 4.554 40 70 EJIBRN Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000218529757 241328377 /nfs/dbraw/zinc/32/83/77/241328377.db2.gz YHUYGGXJLWKGEJ-KRWDZBQOSA-N 0 0 343.854 4.610 40 70 EJIBRN CC[C@@H](NC(=O)CSc1ccc(C)cc1)c1ccc(C)cc1C ZINC000217978330 241287480 /nfs/dbraw/zinc/28/74/80/241287480.db2.gz ZTKUDTLXYXNKFH-LJQANCHMSA-N 0 0 327.493 4.971 40 70 EJIBRN C[C@@H](Sc1ccccc1)C(=O)NCCCc1ccc(Cl)cc1 ZINC000218055699 241293495 /nfs/dbraw/zinc/29/34/95/241293495.db2.gz PNSRNVAGXYDJPF-CQSZACIVSA-N 0 0 333.884 4.570 40 70 EJIBRN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)SCc2ccccc2)cc1C ZINC000218071345 241296673 /nfs/dbraw/zinc/29/66/73/241296673.db2.gz YMDWSSKBYYLCHU-IAGOWNOFSA-N 0 0 327.493 4.803 40 70 EJIBRN COc1ccc(CSCC(=O)Nc2cccc3ccccc32)cc1 ZINC000218109864 241298689 /nfs/dbraw/zinc/29/86/89/241298689.db2.gz HLRHYDCYGVVWPM-UHFFFAOYSA-N 0 0 337.444 4.720 40 70 EJIBRN Cc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 ZINC000218141539 241299502 /nfs/dbraw/zinc/29/95/02/241299502.db2.gz HVWZWFISJIFORP-DLBZAZTESA-N 0 0 327.493 4.970 40 70 EJIBRN Cc1ccc(CCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 ZINC000218535278 241330213 /nfs/dbraw/zinc/33/02/13/241330213.db2.gz IELGVRDRHFNHEP-LJQANCHMSA-N 0 0 337.463 4.655 40 70 EJIBRN CCc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccc(C)cc2)c1 ZINC000216738945 535921435 /nfs/dbraw/zinc/92/14/35/535921435.db2.gz QKWBWAUHNUNYIQ-HSZRJFAPSA-N 0 0 346.474 4.879 40 70 EJIBRN CCc1ccccc1-n1ccc([C@@H]2OCCN2c2ccc(F)cc2)c1 ZINC000216733326 535921825 /nfs/dbraw/zinc/92/18/25/535921825.db2.gz MCWPKLDVBVBKPI-NRFANRHFSA-N 0 0 336.410 4.714 40 70 EJIBRN CCc1ccc(N2CCO[C@@H]2c2ccn(-c3cccc(OC)c3)c2)cc1 ZINC000216729580 536184532 /nfs/dbraw/zinc/18/45/32/536184532.db2.gz KDQQMXOOOQIWEF-JOCHJYFZSA-N 0 0 348.446 4.584 40 70 EJIBRN Cc1cccc(N2CCO[C@@H]2c2ccn(-c3ccc(Cl)cc3)c2)c1 ZINC000216715675 241204217 /nfs/dbraw/zinc/20/42/17/241204217.db2.gz VLKHJDVZJGCZPQ-HXUWFJFHSA-N 0 0 338.838 4.975 40 70 EJIBRN Cc1ccc(N2CCO[C@@H]2c2ccn(-c3cccc(Cl)c3)c2)cc1 ZINC000216718275 241206932 /nfs/dbraw/zinc/20/69/32/241206932.db2.gz KUPKURJTQAHBTI-HXUWFJFHSA-N 0 0 338.838 4.975 40 70 EJIBRN CCc1ccc(-n2ccc([C@@H]3OCCN3c3ccc(C)cc3)c2)cc1 ZINC000216719552 241207367 /nfs/dbraw/zinc/20/73/67/241207367.db2.gz WVDKEZMTQSPIKF-QFIPXVFZSA-N 0 0 332.447 4.884 40 70 EJIBRN CCOc1cccc(-n2ccc([C@@H]3OCCN3c3cccc(C)c3)c2)c1 ZINC000216717604 241207516 /nfs/dbraw/zinc/20/75/16/241207516.db2.gz NYNNIMUXVNPPSD-QFIPXVFZSA-N 0 0 348.446 4.720 40 70 EJIBRN CCc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccc(C)cc3)c2)cc1 ZINC000216738569 241209296 /nfs/dbraw/zinc/20/92/96/241209296.db2.gz ITFJQLOQDYQRBV-QHCPKHFHSA-N 0 0 346.474 4.879 40 70 EJIBRN COC(=O)c1c(C)n(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000216950996 241227922 /nfs/dbraw/zinc/22/79/22/241227922.db2.gz QJMBXUJYLUWUJZ-UHFFFAOYSA-N 0 0 343.382 4.578 40 70 EJIBRN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(Cl)cc1)CC(C)(C)O2 ZINC000217850126 241278854 /nfs/dbraw/zinc/27/88/54/241278854.db2.gz WISSURWMHWUXMD-MRXNPFEDSA-N 0 0 329.827 4.681 40 70 EJIBRN Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(Cl)c1)CC(C)(C)O2 ZINC000217852655 241279792 /nfs/dbraw/zinc/27/97/92/241279792.db2.gz XGEQRTAUEUHMCY-INIZCTEOSA-N 0 0 329.827 4.681 40 70 EJIBRN CCOc1ccc(CCCNC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000217900808 241283113 /nfs/dbraw/zinc/28/31/13/241283113.db2.gz BRQHHOZFVFCTCK-SDNWHVSQSA-N 0 0 343.854 4.501 40 70 EJIBRN Cc1ccc(OCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000217951309 241286059 /nfs/dbraw/zinc/28/60/59/241286059.db2.gz PAQSTOHFKUTBEM-NTEUORMPSA-N 0 0 337.463 4.501 40 70 EJIBRN O=C(CSc1ccccc1)Nc1ccccc1C(=O)c1ccccc1 ZINC000217971269 241288690 /nfs/dbraw/zinc/28/86/90/241288690.db2.gz GURDLXPECUPQII-UHFFFAOYSA-N 0 0 347.439 4.648 40 70 EJIBRN C[C@@H](Sc1ccccc1)C(=O)NCCCc1ccccc1Cl ZINC000218055541 241293078 /nfs/dbraw/zinc/29/30/78/241293078.db2.gz AUEUQSVZGAFIMP-CQSZACIVSA-N 0 0 333.884 4.570 40 70 EJIBRN C[C@H](Sc1ccccc1)C(=O)NCCCc1ccccc1Cl ZINC000218055604 241293128 /nfs/dbraw/zinc/29/31/28/241293128.db2.gz AUEUQSVZGAFIMP-AWEZNQCLSA-N 0 0 333.884 4.570 40 70 EJIBRN C[C@H](Sc1ccccc1)C(=O)NCCCc1ccc(Cl)cc1 ZINC000218055755 241293988 /nfs/dbraw/zinc/29/39/88/241293988.db2.gz PNSRNVAGXYDJPF-AWEZNQCLSA-N 0 0 333.884 4.570 40 70 EJIBRN Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)SCc2ccccc2)c1 ZINC000218065405 241295473 /nfs/dbraw/zinc/29/54/73/241295473.db2.gz VGRFLFXMFFDVBM-DLBZAZTESA-N 0 0 327.493 4.803 40 70 EJIBRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)SCc2ccccc2)cc1C ZINC000218071417 241295939 /nfs/dbraw/zinc/29/59/39/241295939.db2.gz YMDWSSKBYYLCHU-DLBZAZTESA-N 0 0 327.493 4.803 40 70 EJIBRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)SCc2ccccc2)cc1C ZINC000218071484 241296170 /nfs/dbraw/zinc/29/61/70/241296170.db2.gz YMDWSSKBYYLCHU-SJORKVTESA-N 0 0 327.493 4.803 40 70 EJIBRN Cc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 ZINC000218141472 241299495 /nfs/dbraw/zinc/29/94/95/241299495.db2.gz HVWZWFISJIFORP-IRXDYDNUSA-N 0 0 327.493 4.970 40 70 EJIBRN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)c1 ZINC000218685705 241338779 /nfs/dbraw/zinc/33/87/79/241338779.db2.gz WFVKMLPWTOUPMN-MRXNPFEDSA-N 0 0 339.435 4.722 40 70 EJIBRN CC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc(C)cc1C ZINC000218679641 241338866 /nfs/dbraw/zinc/33/88/66/241338866.db2.gz WFQLLUUMWFDLSI-KXBFYZLASA-N 0 0 345.870 4.992 40 70 EJIBRN Cc1ccc([C@@H](C)NC(=O)CCCOc2ccc(Cl)cc2)cc1C ZINC000218737594 241340938 /nfs/dbraw/zinc/34/09/38/241340938.db2.gz YPKKMBOWDCJNRJ-MRXNPFEDSA-N 0 0 345.870 4.993 40 70 EJIBRN Cc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 ZINC000218732204 241341342 /nfs/dbraw/zinc/34/13/42/241341342.db2.gz PGMSSEHQSYVDBR-SFHVURJKSA-N 0 0 325.452 4.648 40 70 EJIBRN CC[C@@H](NC(=O)COc1ccc(C)c(C)c1)c1ccc(C)cc1C ZINC000218722853 241342014 /nfs/dbraw/zinc/34/20/14/241342014.db2.gz SBWWLFHQLLPEIP-HXUWFJFHSA-N 0 0 325.452 4.567 40 70 EJIBRN CC(C)c1ccc(CCCNC(=O)CSCc2ccccc2)cc1 ZINC000218013074 535370861 /nfs/dbraw/zinc/37/08/61/535370861.db2.gz ASHBUAXEHDQSPM-UHFFFAOYSA-N 0 0 341.520 4.792 40 70 EJIBRN CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc(C)cc1C ZINC000218689469 535797659 /nfs/dbraw/zinc/79/76/59/535797659.db2.gz NNWSZXUELZILLW-YLJYHZDGSA-N 0 0 325.452 4.647 40 70 EJIBRN CC[C@H](NC(=O)c1cc2cccc(OC)c2o1)c1ccc(C)c(C)c1 ZINC000218617901 535869012 /nfs/dbraw/zinc/86/90/12/535869012.db2.gz DUVCPGKEUBEXQH-KRWDZBQOSA-N 0 0 337.419 4.939 40 70 EJIBRN CC[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(C)cc1C ZINC000217870476 535872236 /nfs/dbraw/zinc/87/22/36/535872236.db2.gz WVIJOFWGPKNRJT-KRWDZBQOSA-N 0 0 346.268 4.947 40 70 EJIBRN CCc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(C)cc3)c2)cc1 ZINC000216728891 536184543 /nfs/dbraw/zinc/18/45/43/536184543.db2.gz HQUFQCFWFOPVSS-JOCHJYFZSA-N 0 0 332.447 4.884 40 70 EJIBRN Cc1cccc(-n2ccc([C@H]3SCC(=O)N3Cc3ccccc3)c2)c1 ZINC000216673001 241203615 /nfs/dbraw/zinc/20/36/15/241203615.db2.gz ZSXZDMHVTYAHRW-OAQYLSRUSA-N 0 0 348.471 4.560 40 70 EJIBRN Cc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3Cl)c2)cc1 ZINC000216718163 241206746 /nfs/dbraw/zinc/20/67/46/241206746.db2.gz OUBAFNLBPSUMMG-HXUWFJFHSA-N 0 0 338.838 4.975 40 70 EJIBRN Cc1ccc(CN2CCO[C@H]2c2ccn(-c3ccc(C)cc3)c2)cc1 ZINC000216737108 241208457 /nfs/dbraw/zinc/20/84/57/241208457.db2.gz CSSRFBZMGXSZMW-QFIPXVFZSA-N 0 0 332.447 4.625 40 70 EJIBRN CCc1ccc(-n2ccc([C@H]3OCCN3Cc3cccc(C)c3)c2)cc1 ZINC000216741332 241208819 /nfs/dbraw/zinc/20/88/19/241208819.db2.gz KKBZHFSDEYBELY-HSZRJFAPSA-N 0 0 346.474 4.879 40 70 EJIBRN Cc1ccc(CN2CCO[C@H]2c2ccn(-c3ccccc3C)c2)cc1 ZINC000216736875 241209230 /nfs/dbraw/zinc/20/92/30/241209230.db2.gz DAPQYRUDVKHFOW-QFIPXVFZSA-N 0 0 332.447 4.625 40 70 EJIBRN CC[C@H](NC(=O)Nc1ccccc1OC)c1ccc2c(c1)CCCC2 ZINC000217267994 241243324 /nfs/dbraw/zinc/24/33/24/241243324.db2.gz VWHYJLBIXHBJDA-SFHVURJKSA-N 0 0 338.451 4.847 40 70 EJIBRN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cl)cc1)CC(C)(C)O2 ZINC000217850047 241279517 /nfs/dbraw/zinc/27/95/17/241279517.db2.gz WISSURWMHWUXMD-INIZCTEOSA-N 0 0 329.827 4.681 40 70 EJIBRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C=C/c1ccc(F)cc1 ZINC000217913312 241284480 /nfs/dbraw/zinc/28/44/80/241284480.db2.gz NINZNJYLJKVFGK-JGZYNSJSSA-N 0 0 339.410 4.566 40 70 EJIBRN S=C(NCCSCc1cccc(Cl)c1)Nc1ccccc1 ZINC000217934379 241285894 /nfs/dbraw/zinc/28/58/94/241285894.db2.gz GLTGDAJKTMBGCF-UHFFFAOYSA-N 0 0 336.913 4.560 40 70 EJIBRN Cc1ccc2c(c1)[C@@H](NC(=O)CSc1ccccc1)CC(C)(C)O2 ZINC000217972670 241287160 /nfs/dbraw/zinc/28/71/60/241287160.db2.gz YZGKEFDKPLFVTH-KRWDZBQOSA-N 0 0 341.476 4.506 40 70 EJIBRN COc1ccccc1/C=C/C(=O)NCCCc1ccc(C(C)C)cc1 ZINC000217970113 241287236 /nfs/dbraw/zinc/28/72/36/241287236.db2.gz QTYNBTCEFZSGAO-CCEZHUSRSA-N 0 0 337.463 4.581 40 70 EJIBRN Cc1ccc2c(c1)[C@H](NC(=O)CSc1ccccc1)CC(C)(C)O2 ZINC000217972751 241288399 /nfs/dbraw/zinc/28/83/99/241288399.db2.gz YZGKEFDKPLFVTH-QGZVFWFLSA-N 0 0 341.476 4.506 40 70 EJIBRN Cc1cccc(CSCCNC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000217956907 241288523 /nfs/dbraw/zinc/28/85/23/241288523.db2.gz DSHNSZSIPKVFKX-JXMROGBWSA-N 0 0 345.895 4.711 40 70 EJIBRN Cc1ccccc1CSCC(=O)NCCCc1ccccc1Cl ZINC000218014046 241291584 /nfs/dbraw/zinc/29/15/84/241291584.db2.gz MRMJBOJSVVAVMR-UHFFFAOYSA-N 0 0 347.911 4.631 40 70 EJIBRN Cc1ccc(CSCC(=O)NCCCc2ccc(Cl)cc2)cc1 ZINC000218020801 241292248 /nfs/dbraw/zinc/29/22/48/241292248.db2.gz CPYHJIHRSRQLDR-UHFFFAOYSA-N 0 0 347.911 4.631 40 70 EJIBRN Cc1ccc(CSCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 ZINC000218024046 241292496 /nfs/dbraw/zinc/29/24/96/241292496.db2.gz OEJZHIJEOUCSDF-KRWDZBQOSA-N 0 0 327.493 4.722 40 70 EJIBRN C[C@H](SCc1ccccc1)C(=O)NCCCc1ccccc1Cl ZINC000218065751 241295824 /nfs/dbraw/zinc/29/58/24/241295824.db2.gz LBKMBAGWPLFYJY-HNNXBMFYSA-N 0 0 347.911 4.711 40 70 EJIBRN C[C@H](SCc1ccccc1)C(=O)NCCCc1ccc(Cl)cc1 ZINC000218065933 241296175 /nfs/dbraw/zinc/29/61/75/241296175.db2.gz HQXKIDDQEZMGQJ-HNNXBMFYSA-N 0 0 347.911 4.711 40 70 EJIBRN Cc1ccc(CCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 ZINC000218535164 241331092 /nfs/dbraw/zinc/33/10/92/241331092.db2.gz BTNBORCNIDZDRA-IBGZPJMESA-N 0 0 337.463 4.655 40 70 EJIBRN CC(C)(C)c1ccc(CCC(=O)NCCCc2ccc(F)cc2)cc1 ZINC000218538666 241331364 /nfs/dbraw/zinc/33/13/64/241331364.db2.gz RVPWFDOXWMZEDQ-UHFFFAOYSA-N 0 0 341.470 4.805 40 70 EJIBRN CC[C@@H](NC(=O)c1cc2cccc(OC)c2o1)c1ccc(C)c(C)c1 ZINC000218617821 241335128 /nfs/dbraw/zinc/33/51/28/241335128.db2.gz DUVCPGKEUBEXQH-QGZVFWFLSA-N 0 0 337.419 4.939 40 70 EJIBRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1C ZINC000218678860 241338075 /nfs/dbraw/zinc/33/80/75/241338075.db2.gz IUAJPZXFFXVCNM-CABCVRRESA-N 0 0 331.843 4.602 40 70 EJIBRN CC[C@H](NC(=O)COc1cc(C)cc(C)c1)c1ccc(C)cc1C ZINC000218695326 241339567 /nfs/dbraw/zinc/33/95/67/241339567.db2.gz JQFUYRGBAYUPAC-FQEVSTJZSA-N 0 0 325.452 4.567 40 70 EJIBRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1C ZINC000218678779 241339578 /nfs/dbraw/zinc/33/95/78/241339578.db2.gz IUAJPZXFFXVCNM-LSDHHAIUSA-N 0 0 331.843 4.602 40 70 EJIBRN Cc1ccc(OCCCC(=O)NCCCc2ccc(Cl)cc2)cc1 ZINC000218729601 241341604 /nfs/dbraw/zinc/34/16/04/241341604.db2.gz URPAIILRVJPPOY-UHFFFAOYSA-N 0 0 345.870 4.556 40 70 EJIBRN CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(C)c(C)c1 ZINC000218679046 535797661 /nfs/dbraw/zinc/79/76/61/535797661.db2.gz VHSDCVSKKHDVFZ-DNVCBOLYSA-N 0 0 345.870 4.992 40 70 EJIBRN CCc1ccccc1-n1ccc([C@@H]2OCCN2c2cccc(C)c2)c1 ZINC000216717144 535921786 /nfs/dbraw/zinc/92/17/86/535921786.db2.gz JEMJIOSLHHZIMP-QFIPXVFZSA-N 0 0 332.447 4.884 40 70 EJIBRN CCc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3OC)c2)cc1 ZINC000216730039 536184956 /nfs/dbraw/zinc/18/49/56/536184956.db2.gz RLQGXZHBXXSPCD-JOCHJYFZSA-N 0 0 348.446 4.584 40 70 EJIBRN Cc1cccc(N2CCO[C@@H]2c2ccn(-c3ccccc3Cl)c2)c1 ZINC000216715438 241204956 /nfs/dbraw/zinc/20/49/56/241204956.db2.gz CDRAGVHMTBBDHU-HXUWFJFHSA-N 0 0 338.838 4.975 40 70 EJIBRN Cc1cccc(CN2CCO[C@@H]2c2ccn(-c3cccc(C)c3)c2)c1 ZINC000216739727 241208193 /nfs/dbraw/zinc/20/81/93/241208193.db2.gz FBXSOPPGRMSUIB-JOCHJYFZSA-N 0 0 332.447 4.625 40 70 EJIBRN Cc1ccc(CN2CCO[C@H]2c2ccn(-c3cccc(C)c3)c2)cc1 ZINC000216736982 241208836 /nfs/dbraw/zinc/20/88/36/241208836.db2.gz CRBXSNBUTXIMIJ-QFIPXVFZSA-N 0 0 332.447 4.625 40 70 EJIBRN Cc1cc2nc(C3=CCN(Cc4ccccc4F)CC3)oc2cc1C ZINC000216784359 241211265 /nfs/dbraw/zinc/21/12/65/241211265.db2.gz NACGQVKYJCMDBM-UHFFFAOYSA-N 0 0 336.410 4.873 40 70 EJIBRN O=C(OC1CCCCC1)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000216937256 241224771 /nfs/dbraw/zinc/22/47/71/241224771.db2.gz GQFYLSQKRPJXOB-UHFFFAOYSA-N 0 0 348.398 4.950 40 70 EJIBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C=C/c1ccc(F)cc1 ZINC000217913239 241282925 /nfs/dbraw/zinc/28/29/25/241282925.db2.gz NINZNJYLJKVFGK-DBEXCURXSA-N 0 0 339.410 4.566 40 70 EJIBRN CC[C@H](NC(=O)CSc1ccc(C)cc1)c1ccc(C)cc1C ZINC000217978402 241287068 /nfs/dbraw/zinc/28/70/68/241287068.db2.gz ZTKUDTLXYXNKFH-IBGZPJMESA-N 0 0 327.493 4.971 40 70 EJIBRN Cc1ccc(S[C@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 ZINC000218135790 241300615 /nfs/dbraw/zinc/30/06/15/241300615.db2.gz CPEPNYVVNRGEGX-IAGOWNOFSA-N 0 0 327.493 4.970 40 70 EJIBRN Cc1ccc(/C=C/C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 ZINC000218180033 241303053 /nfs/dbraw/zinc/30/30/53/241303053.db2.gz MSDBVKIWIYXJEV-FMAYLGMYSA-N 0 0 335.447 4.735 40 70 EJIBRN Cc1ccc(/C=C/C(=O)NCCCc2cccc(OC(C)C)c2)cc1 ZINC000218178343 241304190 /nfs/dbraw/zinc/30/41/90/241304190.db2.gz VDDGDHQOSVKXKA-BUHFOSPRSA-N 0 0 337.463 4.544 40 70 EJIBRN CC(C)c1ccc(CCCNC(=O)CSc2ccccc2)cc1 ZINC000217974713 535370956 /nfs/dbraw/zinc/37/09/56/535370956.db2.gz MSELZSIUSBWSQS-UHFFFAOYSA-N 0 0 327.493 4.651 40 70 EJIBRN CC(C)c1ccc(CCCNC(=O)CCCOc2ccccc2)cc1 ZINC000218728892 535371042 /nfs/dbraw/zinc/37/10/42/535371042.db2.gz SFHQLGHTICTRPW-UHFFFAOYSA-N 0 0 339.479 4.718 40 70 EJIBRN CCOc1ccccc1-n1ccc([C@H]2OCCN2c2ccc(C)cc2)c1 ZINC000216720249 535483094 /nfs/dbraw/zinc/48/30/94/535483094.db2.gz XUIRYCIURJTHFY-JOCHJYFZSA-N 0 0 348.446 4.720 40 70 EJIBRN CCc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccccc2)c1 ZINC000216736164 535921626 /nfs/dbraw/zinc/92/16/26/535921626.db2.gz FWYBCSJNZHQWCH-JOCHJYFZSA-N 0 0 332.447 4.571 40 70 EJIBRN CCc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3F)c2)cc1 ZINC000216729399 536184762 /nfs/dbraw/zinc/18/47/62/536184762.db2.gz VZLSJQIITGEDQJ-NRFANRHFSA-N 0 0 336.410 4.714 40 70 EJIBRN COc1ccc2cc(-c3nnc(-c4ccccc4C)o3)c(C)nc2c1 ZINC000216665186 537030478 /nfs/dbraw/zinc/03/04/78/537030478.db2.gz OCOKJBFVNUVVEG-UHFFFAOYSA-N 0 0 331.375 4.577 40 70 EJIBRN Cc1cccc(N2CCO[C@@H]2c2ccn(-c3cccc(Cl)c3)c2)c1 ZINC000216715560 241204712 /nfs/dbraw/zinc/20/47/12/241204712.db2.gz BLFWEZARTJNPEQ-HXUWFJFHSA-N 0 0 338.838 4.975 40 70 EJIBRN Cc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3Cl)c2)cc1 ZINC000216718209 241205827 /nfs/dbraw/zinc/20/58/27/241205827.db2.gz OUBAFNLBPSUMMG-FQEVSTJZSA-N 0 0 338.838 4.975 40 70 EJIBRN CCc1ccc(-n2ccc([C@H]3OCCN3c3ccc(F)cc3)c2)cc1 ZINC000216733033 241206029 /nfs/dbraw/zinc/20/60/29/241206029.db2.gz MQKMGVJTDCFRAN-OAQYLSRUSA-N 0 0 336.410 4.714 40 70 EJIBRN CCOc1ccc(-n2ccc([C@H]3OCCN3c3ccc(C)cc3)c2)cc1 ZINC000216719480 241206508 /nfs/dbraw/zinc/20/65/08/241206508.db2.gz PAAZGFWBKFMJFT-JOCHJYFZSA-N 0 0 348.446 4.720 40 70 EJIBRN Clc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccccc2)c1 ZINC000216734376 241207476 /nfs/dbraw/zinc/20/74/76/241207476.db2.gz XOBXSKWBFNFRRI-HXUWFJFHSA-N 0 0 338.838 4.662 40 70 EJIBRN Cc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3C)c2)cc1 ZINC000216736826 241209267 /nfs/dbraw/zinc/20/92/67/241209267.db2.gz DAPQYRUDVKHFOW-JOCHJYFZSA-N 0 0 332.447 4.625 40 70 EJIBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(Cl)c1 ZINC000217852854 241278778 /nfs/dbraw/zinc/27/87/78/241278778.db2.gz YEXQTHIEILZQNU-INIZCTEOSA-N 0 0 329.827 4.681 40 70 EJIBRN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1Cl)CC(C)(C)O2 ZINC000217846997 241279361 /nfs/dbraw/zinc/27/93/61/241279361.db2.gz RFPCJFXKFNFDKA-INIZCTEOSA-N 0 0 329.827 4.681 40 70 EJIBRN O=C(CSCc1ccccc1)Nc1ccc(OC2CCCC2)cc1 ZINC000218008990 241290609 /nfs/dbraw/zinc/29/06/09/241290609.db2.gz ZKPAFJFERQRHKM-UHFFFAOYSA-N 0 0 341.476 4.880 40 70 EJIBRN C[C@H](Sc1ccccc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000218057281 241293598 /nfs/dbraw/zinc/29/35/98/241293598.db2.gz RBYGOKHYONWXTO-WMLDXEAASA-N 0 0 341.476 4.586 40 70 EJIBRN Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)SCc2ccccc2)c1 ZINC000218065491 241295193 /nfs/dbraw/zinc/29/51/93/241295193.db2.gz VGRFLFXMFFDVBM-SJORKVTESA-N 0 0 327.493 4.803 40 70 EJIBRN Cc1ccc(S[C@@H](C)C(=O)NCc2cccc(OC(C)C)c2)cc1 ZINC000218134959 241300557 /nfs/dbraw/zinc/30/05/57/241300557.db2.gz AAYVLIZVRCGAMU-INIZCTEOSA-N 0 0 343.492 4.579 40 70 EJIBRN Cc1ccc(/C=C/C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 ZINC000218180185 241303393 /nfs/dbraw/zinc/30/33/93/241303393.db2.gz HPZRAGITNNLOIZ-FMAYLGMYSA-N 0 0 335.447 4.735 40 70 EJIBRN CCCOc1ccccc1CCCNC(=O)c1ccccc1SC ZINC000218192032 241303726 /nfs/dbraw/zinc/30/37/26/241303726.db2.gz USEAQMAXTUODNG-UHFFFAOYSA-N 0 0 343.492 4.560 40 70 EJIBRN Cc1ccc(/C=C/C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 ZINC000218180269 241304227 /nfs/dbraw/zinc/30/42/27/241304227.db2.gz HPZRAGITNNLOIZ-RDELFYGPSA-N 0 0 335.447 4.735 40 70 EJIBRN Cc1ccc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)cc1C ZINC000218720865 241340256 /nfs/dbraw/zinc/34/02/56/241340256.db2.gz NOPGKNSHYUNFOC-UHFFFAOYSA-N 0 0 339.435 4.642 40 70 EJIBRN Cc1ccc(OCCCC(=O)N[C@H](C)c2cc(C)ccc2C)cc1 ZINC000218729436 241341032 /nfs/dbraw/zinc/34/10/32/241341032.db2.gz RVQONRHHUHSYHE-GOSISDBHSA-N 0 0 325.452 4.648 40 70 EJIBRN O=C(CCCOc1ccccc1)Nc1ccc(OC2CCCC2)cc1 ZINC000218725736 241341756 /nfs/dbraw/zinc/34/17/56/241341756.db2.gz PYZMNHCXBOVNAW-UHFFFAOYSA-N 0 0 339.435 4.806 40 70 EJIBRN CC[C@H](NC(=O)CCCOc1ccccc1)c1ccc(C)c(C)c1 ZINC000218727793 241341821 /nfs/dbraw/zinc/34/18/21/241341821.db2.gz RABKVUKZNLNOPN-FQEVSTJZSA-N 0 0 325.452 4.730 40 70 EJIBRN Cc1ccc(OCCCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 ZINC000218729370 241341870 /nfs/dbraw/zinc/34/18/70/241341870.db2.gz RVQONRHHUHSYHE-SFHVURJKSA-N 0 0 325.452 4.648 40 70 EJIBRN CCc1ccccc1-n1ccc([C@H]2OCCN2c2cccc(OC)c2)c1 ZINC000216725284 535921318 /nfs/dbraw/zinc/92/13/18/535921318.db2.gz FDWCSANBMFTNLA-JOCHJYFZSA-N 0 0 348.446 4.584 40 70 EJIBRN CCc1ccc(N2CCO[C@H]2c2ccn(-c3ccc(F)cc3)c2)cc1 ZINC000216729516 536184561 /nfs/dbraw/zinc/18/45/61/536184561.db2.gz JOWGQOVZWPMMAJ-NRFANRHFSA-N 0 0 336.410 4.714 40 70 EJIBRN CCc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3F)c2)cc1 ZINC000216729351 536184620 /nfs/dbraw/zinc/18/46/20/536184620.db2.gz VZLSJQIITGEDQJ-OAQYLSRUSA-N 0 0 336.410 4.714 40 70 EJIBRN CCc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3C)c2)cc1 ZINC000216728714 536184732 /nfs/dbraw/zinc/18/47/32/536184732.db2.gz CWKHEXNQFRGWCT-QFIPXVFZSA-N 0 0 332.447 4.884 40 70 EJIBRN COc1ccccc1CCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000218164156 537031206 /nfs/dbraw/zinc/03/12/06/537031206.db2.gz UXCMAWNWWIGYRC-UHFFFAOYSA-N 0 0 345.442 4.725 40 70 EJIBRN Clc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccccc3)c2)cc1 ZINC000216734558 241206558 /nfs/dbraw/zinc/20/65/58/241206558.db2.gz RXBMGVCLBLMAEJ-FQEVSTJZSA-N 0 0 338.838 4.662 40 70 EJIBRN CCc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccccc3)c2)cc1 ZINC000216735761 241207277 /nfs/dbraw/zinc/20/72/77/241207277.db2.gz SMSAHUGDDVTBBB-QFIPXVFZSA-N 0 0 332.447 4.571 40 70 EJIBRN Cc1cccc(CN2CCO[C@H]2c2ccn(-c3cccc(C)c3)c2)c1 ZINC000216739768 241208255 /nfs/dbraw/zinc/20/82/55/241208255.db2.gz FBXSOPPGRMSUIB-QFIPXVFZSA-N 0 0 332.447 4.625 40 70 EJIBRN COC(=O)c1c(C)n(C(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000216951261 241227645 /nfs/dbraw/zinc/22/76/45/241227645.db2.gz IGZSRTDPGTZLID-UHFFFAOYSA-N 0 0 343.382 4.578 40 70 EJIBRN O=C(Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)c1ccccc1 ZINC000218528697 241327848 /nfs/dbraw/zinc/32/78/48/241327848.db2.gz WBKWJMPJHJMZKL-UHFFFAOYSA-N 0 0 349.817 4.752 40 70 EJIBRN O=C(/C=C/c1ccccc1Cl)NCCCc1ccc(Cl)cc1 ZINC000217899443 241282569 /nfs/dbraw/zinc/28/25/69/241282569.db2.gz PRGXFUYALUDFDM-FMIVXFBMSA-N 0 0 334.246 4.756 40 70 EJIBRN O=C(/C=C/c1ccccc1Cl)NCCCc1ccccc1Cl ZINC000217899327 241283493 /nfs/dbraw/zinc/28/34/93/241283493.db2.gz IGFVEVFAFZSMGF-VAWYXSNFSA-N 0 0 334.246 4.756 40 70 EJIBRN O=C(/C=C/c1ccc(F)cc1)Nc1ccc(OC2CCCC2)cc1 ZINC000217911840 241283998 /nfs/dbraw/zinc/28/39/98/241283998.db2.gz XJLUGPZSLDWYPX-VGOFMYFVSA-N 0 0 325.383 4.799 40 70 EJIBRN O=C(/C=C/c1ccc(Cl)cc1)NCCCc1ccccc1Cl ZINC000217957754 241287218 /nfs/dbraw/zinc/28/72/18/241287218.db2.gz ZJAADLQFEPYRCK-FMIVXFBMSA-N 0 0 334.246 4.756 40 70 EJIBRN CC[C@@H](NC(=O)CSCc1ccccc1)c1ccc(C)cc1C ZINC000218011159 241291874 /nfs/dbraw/zinc/29/18/74/241291874.db2.gz QINFWJYIOKLHMF-LJQANCHMSA-N 0 0 327.493 4.804 40 70 EJIBRN C[C@@H](SCc1ccccc1)C(=O)NCCCc1ccc(Cl)cc1 ZINC000218065843 241295861 /nfs/dbraw/zinc/29/58/61/241295861.db2.gz HQXKIDDQEZMGQJ-OAHLLOKOSA-N 0 0 347.911 4.711 40 70 EJIBRN Cc1ccc(SCCC(=O)NCCCc2ccccc2Cl)cc1 ZINC000218146853 241302663 /nfs/dbraw/zinc/30/26/63/241302663.db2.gz NLYUBACBKGIYDY-UHFFFAOYSA-N 0 0 347.911 4.880 40 70 EJIBRN CC[C@H](NC(=O)c1ccccc1Br)c1ccc(C)c(C)c1 ZINC000218222454 241307741 /nfs/dbraw/zinc/30/77/41/241307741.db2.gz HTYMSJJPTCSGNS-KRWDZBQOSA-N 0 0 346.268 4.947 40 70 EJIBRN CC[C@@H](NC(=O)COc1cc(C)cc(C)c1)c1ccc(C)cc1C ZINC000218695250 241338496 /nfs/dbraw/zinc/33/84/96/241338496.db2.gz JQFUYRGBAYUPAC-HXUWFJFHSA-N 0 0 325.452 4.567 40 70 EJIBRN CC[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1)c1ccc(C)c(C)c1 ZINC000218689274 241338685 /nfs/dbraw/zinc/33/86/85/241338685.db2.gz UMGJGKLKNQFIQW-FXAWDEMLSA-N 0 0 325.452 4.647 40 70 EJIBRN Cc1ccc(OCCCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 ZINC000218732260 241341731 /nfs/dbraw/zinc/34/17/31/241341731.db2.gz PGMSSEHQSYVDBR-GOSISDBHSA-N 0 0 325.452 4.648 40 70 EJIBRN CCc1ccc2oc(C3=CCN(Cc4ccccc4F)CC3)nc2c1 ZINC000216784297 535832815 /nfs/dbraw/zinc/83/28/15/535832815.db2.gz LOFFNIAXCFIBCC-UHFFFAOYSA-N 0 0 336.410 4.819 40 70 EJIBRN CCc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccc(C)cc2)c1 ZINC000216738898 535921697 /nfs/dbraw/zinc/92/16/97/535921697.db2.gz QKWBWAUHNUNYIQ-QHCPKHFHSA-N 0 0 346.474 4.879 40 70 EJIBRN CCOc1ccc(-n2ccc([C@@H]3OCCN3c3cccc(C)c3)c2)cc1 ZINC000216716710 241203926 /nfs/dbraw/zinc/20/39/26/241203926.db2.gz ULXLCBUPLZVIRS-QFIPXVFZSA-N 0 0 348.446 4.720 40 70 EJIBRN Cc1ccc(-n2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)c2)cc1 ZINC000216673060 241205074 /nfs/dbraw/zinc/20/50/74/241205074.db2.gz JQDKTCNMLVYKOI-NRFANRHFSA-N 0 0 348.471 4.560 40 70 EJIBRN Cc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(Cl)cc3)c2)cc1 ZINC000216718387 241205653 /nfs/dbraw/zinc/20/56/53/241205653.db2.gz YHZSUGPZLOOTEW-HXUWFJFHSA-N 0 0 338.838 4.975 40 70 EJIBRN CCc1ccc(-n2ccc([C@@H]3OCCN3c3cccc(OC)c3)c2)cc1 ZINC000216724906 241206315 /nfs/dbraw/zinc/20/63/15/241206315.db2.gz LUGSVJFNEJXRPR-QFIPXVFZSA-N 0 0 348.446 4.584 40 70 EJIBRN Fc1ccc(N2CCO[C@@H]2c2ccn(-c3cccc(Cl)c3)c2)cc1 ZINC000216731763 241207295 /nfs/dbraw/zinc/20/72/95/241207295.db2.gz RTYUHJFJJBKWFN-LJQANCHMSA-N 0 0 342.801 4.805 40 70 EJIBRN Cc1ccc(CCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 ZINC000218535079 241330905 /nfs/dbraw/zinc/33/09/05/241330905.db2.gz BTNBORCNIDZDRA-LJQANCHMSA-N 0 0 337.463 4.655 40 70 EJIBRN Cc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccc(F)cc1)CC(C)(C)O2 ZINC000217913057 241282718 /nfs/dbraw/zinc/28/27/18/241282718.db2.gz WALIHMMCEPQOMQ-DBEXCURXSA-N 0 0 339.410 4.566 40 70 EJIBRN COc1ccc(/C=C/C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 ZINC000217917961 241283100 /nfs/dbraw/zinc/28/31/00/241283100.db2.gz MNXQRHMTAHAAES-OVCLIPMQSA-N 0 0 337.419 4.669 40 70 EJIBRN CC(C)(C)c1ccc(/C=C/C(=O)NCCSCc2ccco2)cc1 ZINC000217949723 241286160 /nfs/dbraw/zinc/28/61/60/241286160.db2.gz BSNWJKBBHMRJKM-DHZHZOJOSA-N 0 0 343.492 4.640 40 70 EJIBRN CC[C@H](NC(=O)CSCc1ccccc1)c1ccc(C)cc1C ZINC000218011243 241291729 /nfs/dbraw/zinc/29/17/29/241291729.db2.gz QINFWJYIOKLHMF-IBGZPJMESA-N 0 0 327.493 4.804 40 70 EJIBRN Cc1ccccc1CSCC(=O)NCCCc1ccc(Cl)cc1 ZINC000218014159 241292574 /nfs/dbraw/zinc/29/25/74/241292574.db2.gz WKIXRZBHNNGPQV-UHFFFAOYSA-N 0 0 347.911 4.631 40 70 EJIBRN C[C@H](Sc1ccccc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000218057419 241293016 /nfs/dbraw/zinc/29/30/16/241293016.db2.gz RBYGOKHYONWXTO-YOEHRIQHSA-N 0 0 341.476 4.586 40 70 EJIBRN Cc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 ZINC000218135712 241299683 /nfs/dbraw/zinc/29/96/83/241299683.db2.gz CPEPNYVVNRGEGX-SJORKVTESA-N 0 0 327.493 4.970 40 70 EJIBRN Cc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 ZINC000218141702 241300547 /nfs/dbraw/zinc/30/05/47/241300547.db2.gz HVWZWFISJIFORP-IAGOWNOFSA-N 0 0 327.493 4.970 40 70 EJIBRN Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000218164564 241302112 /nfs/dbraw/zinc/30/21/12/241302112.db2.gz HDTKYHJUIVJJCF-SFHVURJKSA-N 0 0 345.442 4.859 40 70 EJIBRN CCCOc1ccccc1CCCNC(=O)/C=C/c1ccc(C)cc1 ZINC000218179079 241303015 /nfs/dbraw/zinc/30/30/15/241303015.db2.gz ACEZISLHDRNMJF-CCEZHUSRSA-N 0 0 337.463 4.546 40 70 EJIBRN Cc1ccc(CCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 ZINC000218535369 241331492 /nfs/dbraw/zinc/33/14/92/241331492.db2.gz IELGVRDRHFNHEP-IBGZPJMESA-N 0 0 337.463 4.655 40 70 EJIBRN Cc1cccc(O[C@@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)c1 ZINC000218691465 241338442 /nfs/dbraw/zinc/33/84/42/241338442.db2.gz BGNYBMHCIUKFQE-SFHVURJKSA-N 0 0 339.479 4.635 40 70 EJIBRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)c1 ZINC000218685627 241339789 /nfs/dbraw/zinc/33/97/89/241339789.db2.gz WFVKMLPWTOUPMN-INIZCTEOSA-N 0 0 339.435 4.722 40 70 EJIBRN CC[C@H](NC(=O)CCCOc1ccccc1)c1ccc(C)cc1C ZINC000218727963 241340784 /nfs/dbraw/zinc/34/07/84/241340784.db2.gz TWSHQCBFBMZHAU-FQEVSTJZSA-N 0 0 325.452 4.730 40 70 EJIBRN CC[C@@H](NC(=O)CCCOc1ccccc1)c1ccc(C)c(C)c1 ZINC000218727717 241341177 /nfs/dbraw/zinc/34/11/77/241341177.db2.gz RABKVUKZNLNOPN-HXUWFJFHSA-N 0 0 325.452 4.730 40 70 EJIBRN CCc1ccccc1-n1ccc([C@@H]2OCCN2Cc2cccc(C)c2)c1 ZINC000216742013 535921705 /nfs/dbraw/zinc/92/17/05/535921705.db2.gz TYLFAVUGSCFZOC-QHCPKHFHSA-N 0 0 346.474 4.879 40 70 EJIBRN CCc1ccc(-n2ccc([C@@H]3OCCN3c3ccccc3OC)c2)cc1 ZINC000216722210 241206342 /nfs/dbraw/zinc/20/63/42/241206342.db2.gz LNJUAMQFXVBPGI-QFIPXVFZSA-N 0 0 348.446 4.584 40 70 EJIBRN CCc1ccc(-n2ccc([C@@H]3OCCN3c3ccc(F)cc3)c2)cc1 ZINC000216732989 241206410 /nfs/dbraw/zinc/20/64/10/241206410.db2.gz MQKMGVJTDCFRAN-NRFANRHFSA-N 0 0 336.410 4.714 40 70 EJIBRN CC(C)c1ccc(-c2nn3c(Cc4ccccc4)nnc3s2)cc1 ZINC000216756673 241208824 /nfs/dbraw/zinc/20/88/24/241208824.db2.gz GNMLMDDIFKMDNU-UHFFFAOYSA-N 0 0 334.448 4.567 40 70 EJIBRN CC[C@H](NC(=O)Nc1cccc(OC)c1)c1ccc2c(c1)CCCC2 ZINC000217273224 241244978 /nfs/dbraw/zinc/24/49/78/241244978.db2.gz QQSLDCJCBINWQH-FQEVSTJZSA-N 0 0 338.451 4.847 40 70 EJIBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1Cl ZINC000217847163 241278683 /nfs/dbraw/zinc/27/86/83/241278683.db2.gz HPWWTAPPFBKISS-INIZCTEOSA-N 0 0 329.827 4.681 40 70 EJIBRN CC1(C)C[C@@H](NC(=O)/C=C/c2ccccc2Cl)c2ccccc2O1 ZINC000217900617 241284037 /nfs/dbraw/zinc/28/40/37/241284037.db2.gz DJSAOYAXGMFKIK-FMQWLBJXSA-N 0 0 341.838 4.772 40 70 EJIBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSc1ccccc1 ZINC000217972843 241288370 /nfs/dbraw/zinc/28/83/70/241288370.db2.gz WZYVXJYKWFOAFK-KRWDZBQOSA-N 0 0 341.476 4.506 40 70 EJIBRN CC[C@@H](NC(=O)CSc1ccc(C)cc1)c1ccc(C)c(C)c1 ZINC000217978154 241288383 /nfs/dbraw/zinc/28/83/83/241288383.db2.gz QZAUHQUKSSDERN-LJQANCHMSA-N 0 0 327.493 4.971 40 70 EJIBRN Cc1ccc(CSCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 ZINC000218024128 241292376 /nfs/dbraw/zinc/29/23/76/241292376.db2.gz OEJZHIJEOUCSDF-QGZVFWFLSA-N 0 0 327.493 4.722 40 70 EJIBRN O=C(NCCCc1ccc(F)cc1)/C(=C/c1ccco1)c1ccccc1 ZINC000218102265 241298616 /nfs/dbraw/zinc/29/86/16/241298616.db2.gz VNUUXMDAOHMZBO-LTGZKZEYSA-N 0 0 349.405 4.708 40 70 EJIBRN Cc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 ZINC000218135535 241299736 /nfs/dbraw/zinc/29/97/36/241299736.db2.gz CPEPNYVVNRGEGX-IRXDYDNUSA-N 0 0 327.493 4.970 40 70 EJIBRN Cc1ccc(CCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000218533497 241331604 /nfs/dbraw/zinc/33/16/04/241331604.db2.gz GSAVIJDSCAJCGQ-UHFFFAOYSA-N 0 0 343.426 4.797 40 70 EJIBRN Cc1cc(C)cc(OCC(=O)NCCCc2ccc(C(C)C)cc2)c1 ZINC000218697171 241338704 /nfs/dbraw/zinc/33/87/04/241338704.db2.gz UCFAXUBGEIFZIK-UHFFFAOYSA-N 0 0 339.479 4.555 40 70 EJIBRN CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(C)cc1C ZINC000218679407 535797628 /nfs/dbraw/zinc/79/76/28/535797628.db2.gz WFQLLUUMWFDLSI-DNVCBOLYSA-N 0 0 345.870 4.992 40 70 EJIBRN CCc1ccccc1-n1ccc([C@H]2OCCN2c2ccc(C)cc2)c1 ZINC000216719930 535920916 /nfs/dbraw/zinc/92/09/16/535920916.db2.gz XGHTXDMCPOFNFW-JOCHJYFZSA-N 0 0 332.447 4.884 40 70 EJIBRN CCc1ccccc1-n1ccc([C@H]2OCCN2c2ccccc2OC)c1 ZINC000216722585 535921242 /nfs/dbraw/zinc/92/12/42/535921242.db2.gz HQDKJCWNTCGPPX-JOCHJYFZSA-N 0 0 348.446 4.584 40 70 EJIBRN CCc1ccc(N2CCO[C@@H]2c2ccn(-c3cccc(C)c3)c2)cc1 ZINC000216728796 536184603 /nfs/dbraw/zinc/18/46/03/536184603.db2.gz SHFUTBBBCPILOR-JOCHJYFZSA-N 0 0 332.447 4.884 40 70 EJIBRN CCc1ccc(N2CCO[C@@H]2c2ccn(-c3cccc(F)c3)c2)cc1 ZINC000216730911 536184771 /nfs/dbraw/zinc/18/47/71/536184771.db2.gz POLASOLQNYSHOS-OAQYLSRUSA-N 0 0 336.410 4.714 40 70 EJIBRN COc1ccc(/C=C/C(=O)NCCCc2ccc(C(C)C)cc2)cc1 ZINC000217922124 536584674 /nfs/dbraw/zinc/58/46/74/536584674.db2.gz DGXHFZHOTHRNNY-XNTDXEJSSA-N 0 0 337.463 4.581 40 70 EJIBRN Cc1ccc(N2CCO[C@H]2c2ccn(-c3cccc(Cl)c3)c2)cc1 ZINC000216718318 241205684 /nfs/dbraw/zinc/20/56/84/241205684.db2.gz KUPKURJTQAHBTI-FQEVSTJZSA-N 0 0 338.838 4.975 40 70 EJIBRN Fc1ccc(N2CCO[C@H]2c2ccn(-c3ccc(Cl)cc3)c2)cc1 ZINC000216731915 241206322 /nfs/dbraw/zinc/20/63/22/241206322.db2.gz XVUYVDQEUQNMSD-IBGZPJMESA-N 0 0 342.801 4.805 40 70 EJIBRN Fc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3Cl)c2)cc1 ZINC000216731701 241206448 /nfs/dbraw/zinc/20/64/48/241206448.db2.gz TZHSFTAKVFSSPG-IBGZPJMESA-N 0 0 342.801 4.805 40 70 EJIBRN Cc1cccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3C)c2)c1 ZINC000216739606 241209327 /nfs/dbraw/zinc/20/93/27/241209327.db2.gz QEPKQLLDONDVRX-JOCHJYFZSA-N 0 0 332.447 4.625 40 70 EJIBRN CCc1ccc(-n2ccc([C@H]3OCCN3Cc3ccc(C)cc3)c2)cc1 ZINC000216738611 241209372 /nfs/dbraw/zinc/20/93/72/241209372.db2.gz ITFJQLOQDYQRBV-HSZRJFAPSA-N 0 0 346.474 4.879 40 70 EJIBRN CCOC(=O)c1ccc(OC)c(OCc2cccc3ccccc32)c1 ZINC000216850190 241214428 /nfs/dbraw/zinc/21/44/28/241214428.db2.gz XSCGKOKKEABFJF-UHFFFAOYSA-N 0 0 336.387 4.604 40 70 EJIBRN CCOC(=O)c1ccc(OCc2cccc3ccccc32)c(OC)c1 ZINC000216852764 241215705 /nfs/dbraw/zinc/21/57/05/241215705.db2.gz PBVHKBDSIKKRNY-UHFFFAOYSA-N 0 0 336.387 4.604 40 70 EJIBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Cc1ccc(Cl)cc1 ZINC000218529965 241328203 /nfs/dbraw/zinc/32/82/03/241328203.db2.gz XCUMDCYPUYHZSC-KRWDZBQOSA-N 0 0 343.854 4.610 40 70 EJIBRN CC[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(C)c(C)c1 ZINC000217832566 241277994 /nfs/dbraw/zinc/27/79/94/241277994.db2.gz UVKGZPYAEDFNDL-GOSISDBHSA-N 0 0 331.843 4.603 40 70 EJIBRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1Cl ZINC000217847255 241278740 /nfs/dbraw/zinc/27/87/40/241278740.db2.gz HPWWTAPPFBKISS-MRXNPFEDSA-N 0 0 329.827 4.681 40 70 EJIBRN Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CC(C)(C)O2 ZINC000217847068 241278840 /nfs/dbraw/zinc/27/88/40/241278840.db2.gz RFPCJFXKFNFDKA-MRXNPFEDSA-N 0 0 329.827 4.681 40 70 EJIBRN CC1(C)C[C@H](NC(=O)/C=C/c2ccccc2Cl)c2ccccc2O1 ZINC000217900706 241283742 /nfs/dbraw/zinc/28/37/42/241283742.db2.gz DJSAOYAXGMFKIK-FLVLSHQESA-N 0 0 341.838 4.772 40 70 EJIBRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cc1ccc(Cl)cc1 ZINC000218530033 241329408 /nfs/dbraw/zinc/32/94/08/241329408.db2.gz XCUMDCYPUYHZSC-QGZVFWFLSA-N 0 0 343.854 4.610 40 70 EJIBRN Cc1ccc(SCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 ZINC000217976477 241287717 /nfs/dbraw/zinc/28/77/17/241287717.db2.gz HGQZWZYBNMGKQX-KRWDZBQOSA-N 0 0 341.476 4.506 40 70 EJIBRN Cc1ccc(CSCC(=O)NCCCc2ccccc2Cl)cc1 ZINC000218020714 241292190 /nfs/dbraw/zinc/29/21/90/241292190.db2.gz MFRPCSMCZWDOKS-UHFFFAOYSA-N 0 0 347.911 4.631 40 70 EJIBRN Cc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 ZINC000218135620 241299181 /nfs/dbraw/zinc/29/91/81/241299181.db2.gz CPEPNYVVNRGEGX-DLBZAZTESA-N 0 0 327.493 4.970 40 70 EJIBRN Cc1ccc(S[C@@H](C)C(=O)NCCCc2ccc(Cl)cc2)cc1 ZINC000218136050 241299444 /nfs/dbraw/zinc/29/94/44/241299444.db2.gz YFGMQNVZHUSAML-HNNXBMFYSA-N 0 0 347.911 4.878 40 70 EJIBRN CN(CCCNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000218167471 241301582 /nfs/dbraw/zinc/30/15/82/241301582.db2.gz JONXFFINUZXLMU-UHFFFAOYSA-N 0 0 344.458 4.610 40 70 EJIBRN Cc1ccc(SCCC(=O)NCCCc2ccc(Cl)cc2)cc1 ZINC000218146921 241301770 /nfs/dbraw/zinc/30/17/70/241301770.db2.gz SPLXKQMWBQPPAX-UHFFFAOYSA-N 0 0 347.911 4.880 40 70 EJIBRN CSc1ccccc1C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000218191863 241303593 /nfs/dbraw/zinc/30/35/93/241303593.db2.gz PCXWARUWHAADTG-UHFFFAOYSA-N 0 0 347.439 4.892 40 70 EJIBRN Cc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000218178269 241304468 /nfs/dbraw/zinc/30/44/68/241304468.db2.gz JZQLGYAOFSDPCY-FOCLMDBBSA-N 0 0 341.410 4.878 40 70 EJIBRN Cc1ccc(OCCCC(=O)NCCCc2ccccc2Cl)cc1 ZINC000218729527 241342161 /nfs/dbraw/zinc/34/21/61/241342161.db2.gz DFMFEFQBYPXRFX-UHFFFAOYSA-N 0 0 345.870 4.556 40 70 EJIBRN CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(C)c(C)c1 ZINC000218679125 535826107 /nfs/dbraw/zinc/82/61/07/535826107.db2.gz VHSDCVSKKHDVFZ-BEFAXECRSA-N 0 0 345.870 4.992 40 70 EJIBRN CCc1ccc(-n2ccc([C@H]3OCCN3c3cccc(C)c3)c2)cc1 ZINC000216716865 241204843 /nfs/dbraw/zinc/20/48/43/241204843.db2.gz FXVJRXXKWUTJRI-JOCHJYFZSA-N 0 0 332.447 4.884 40 70 EJIBRN CCc1ccc(-n2ccc([C@@H]3OCCN3c3cccc(C)c3)c2)cc1 ZINC000216716813 241205167 /nfs/dbraw/zinc/20/51/67/241205167.db2.gz FXVJRXXKWUTJRI-QFIPXVFZSA-N 0 0 332.447 4.884 40 70 EJIBRN CCOc1cccc(-n2ccc([C@H]3OCCN3c3cccc(C)c3)c2)c1 ZINC000216717642 241206034 /nfs/dbraw/zinc/20/60/34/241206034.db2.gz NYNNIMUXVNPPSD-JOCHJYFZSA-N 0 0 348.446 4.720 40 70 EJIBRN CCOc1cccc(-n2ccc([C@H]3OCCN3c3ccc(C)cc3)c2)c1 ZINC000216720365 241206881 /nfs/dbraw/zinc/20/68/81/241206881.db2.gz YHIWUBSYKPGOQP-JOCHJYFZSA-N 0 0 348.446 4.720 40 70 EJIBRN CCc1ccc(-n2ccc([C@H]3OCCN3c3cccc(OC)c3)c2)cc1 ZINC000216724950 241206912 /nfs/dbraw/zinc/20/69/12/241206912.db2.gz LUGSVJFNEJXRPR-JOCHJYFZSA-N 0 0 348.446 4.584 40 70 EJIBRN Clc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccccc2)c1 ZINC000216734334 241207437 /nfs/dbraw/zinc/20/74/37/241207437.db2.gz XOBXSKWBFNFRRI-FQEVSTJZSA-N 0 0 338.838 4.662 40 70 EJIBRN Cc1ccc(OCCNC(=O)c2cc3c(ccc4ccccc34)o2)cc1 ZINC000218497184 241326560 /nfs/dbraw/zinc/32/65/60/241326560.db2.gz KBVVWRQPZOUPGN-UHFFFAOYSA-N 0 0 345.398 4.703 40 70 EJIBRN Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccccc1)CC(C)(C)O2 ZINC000217936880 241285624 /nfs/dbraw/zinc/28/56/24/241285624.db2.gz GIBLRTKSOVARKN-MRXNPFEDSA-N 0 0 326.465 4.584 40 70 EJIBRN CCOc1ccc(CCCNC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000217959158 241288135 /nfs/dbraw/zinc/28/81/35/241288135.db2.gz LJULRTORQUDYBO-NTEUORMPSA-N 0 0 343.854 4.501 40 70 EJIBRN Cc1ccc(C)c([C@H](C)NC(=O)CSCc2ccccc2C)c1 ZINC000218013934 241292731 /nfs/dbraw/zinc/29/27/31/241292731.db2.gz SWAUCKSDMCXQSD-KRWDZBQOSA-N 0 0 327.493 4.722 40 70 EJIBRN C[C@@H](Sc1ccccc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000218057349 241293440 /nfs/dbraw/zinc/29/34/40/241293440.db2.gz RBYGOKHYONWXTO-PBHICJAKSA-N 0 0 341.476 4.586 40 70 EJIBRN Cc1ccc(OC[C@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000218164754 241301844 /nfs/dbraw/zinc/30/18/44/241301844.db2.gz JSTAPCCPCNIOSM-SFHVURJKSA-N 0 0 345.442 4.859 40 70 EJIBRN Cc1ccc(SCCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 ZINC000218150084 241302137 /nfs/dbraw/zinc/30/21/37/241302137.db2.gz NRLZJDSAIPQNGW-QGZVFWFLSA-N 0 0 327.493 4.971 40 70 EJIBRN CSc1ccccc1C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000218192988 241304324 /nfs/dbraw/zinc/30/43/24/241304324.db2.gz NPXVBQUZCBPRSK-INIZCTEOSA-N 0 0 341.476 4.749 40 70 EJIBRN CC[C@@H](NC(=O)c1ccccc1Br)c1ccc(C)c(C)c1 ZINC000218222381 241307288 /nfs/dbraw/zinc/30/72/88/241307288.db2.gz HTYMSJJPTCSGNS-QGZVFWFLSA-N 0 0 346.268 4.947 40 70 EJIBRN Cc1cc(C)cc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)c1 ZINC000218693117 241338054 /nfs/dbraw/zinc/33/80/54/241338054.db2.gz FXDWDVAPALZLRT-UHFFFAOYSA-N 0 0 339.435 4.642 40 70 EJIBRN CC[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc(C)cc1C ZINC000218689543 241338200 /nfs/dbraw/zinc/33/82/00/241338200.db2.gz NNWSZXUELZILLW-XLIONFOSSA-N 0 0 325.452 4.647 40 70 EJIBRN CC[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1)c1ccc(C)c(C)c1 ZINC000218689362 241338447 /nfs/dbraw/zinc/33/84/47/241338447.db2.gz UMGJGKLKNQFIQW-PXNSSMCTSA-N 0 0 325.452 4.647 40 70 EJIBRN Cc1ccc(C)c([C@@H](C)NC(=O)CCCOc2ccc(Cl)cc2)c1 ZINC000218735022 241341572 /nfs/dbraw/zinc/34/15/72/241341572.db2.gz LIOOUELPVUZTBM-MRXNPFEDSA-N 0 0 345.870 4.993 40 70 EJIBRN CC(C)c1ccc(CCCNC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000217916472 535370891 /nfs/dbraw/zinc/37/08/91/535370891.db2.gz LWBUJYIZAMNUCC-NTEUORMPSA-N 0 0 325.427 4.711 40 70 EJIBRN CC[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(C)cc1C ZINC000217870395 535799839 /nfs/dbraw/zinc/79/98/39/535799839.db2.gz WVIJOFWGPKNRJT-QGZVFWFLSA-N 0 0 346.268 4.947 40 70 EJIBRN CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(C)cc1C ZINC000218679488 535825737 /nfs/dbraw/zinc/82/57/37/535825737.db2.gz WFQLLUUMWFDLSI-BEFAXECRSA-N 0 0 345.870 4.992 40 70 EJIBRN CCc1ccccc1-n1ccc([C@H]2OCCN2c2ccc(F)cc2)c1 ZINC000216733369 535920868 /nfs/dbraw/zinc/92/08/68/535920868.db2.gz MCWPKLDVBVBKPI-OAQYLSRUSA-N 0 0 336.410 4.714 40 70 EJIBRN CCc1ccccc1-n1ccc([C@H]2OCCN2c2cccc(C)c2)c1 ZINC000216717188 535921774 /nfs/dbraw/zinc/92/17/74/535921774.db2.gz JEMJIOSLHHZIMP-JOCHJYFZSA-N 0 0 332.447 4.884 40 70 EJIBRN CCc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccccc2)c1 ZINC000216736117 535921839 /nfs/dbraw/zinc/92/18/39/535921839.db2.gz FWYBCSJNZHQWCH-QFIPXVFZSA-N 0 0 332.447 4.571 40 70 EJIBRN CCc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(F)cc3)c2)cc1 ZINC000216729467 536184557 /nfs/dbraw/zinc/18/45/57/536184557.db2.gz JOWGQOVZWPMMAJ-OAQYLSRUSA-N 0 0 336.410 4.714 40 70 EJIBRN CCc1ccc(N2CCO[C@H]2c2ccn(-c3cccc(OC)c3)c2)cc1 ZINC000216729634 536184921 /nfs/dbraw/zinc/18/49/21/536184921.db2.gz KDQQMXOOOQIWEF-QFIPXVFZSA-N 0 0 348.446 4.584 40 70 EJIBRN COc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1N ZINC000217684141 536500672 /nfs/dbraw/zinc/50/06/72/536500672.db2.gz YKTRGSWOLNRKAT-UHFFFAOYSA-N 0 0 331.828 4.798 40 70 EJIBRN CCCCCn1nc(C(=O)NC(C)(C)c2ccccc2)c2ccccc21 ZINC000218735836 564160824 /nfs/dbraw/zinc/16/08/24/564160824.db2.gz LCBASRYREGWIJT-UHFFFAOYSA-N 0 0 349.478 4.892 40 70 in-vitro EJIBRN