smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(Cc1cccc(F)c1)C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000302831626 971339192 /nfs/dbraw/zinc/33/91/92/971339192.db2.gz CCSOMHVHWAJDIO-OAQYLSRUSA-N 0 1 400.494 3.561 20 10 HHCDMN CCN1CCN(c2ccc(CNC(=O)Cc3c(F)cccc3Cl)cc2F)CC1 ZINC000303250565 971580153 /nfs/dbraw/zinc/58/01/53/971580153.db2.gz ASSAUZQXCSXXHP-UHFFFAOYSA-N 0 1 407.892 3.619 20 10 HHCDMN COc1ccc(N2CCN(CCCNC(=O)N[C@@H](C)c3cccc(C)c3C)CC2)cc1 ZINC000303738934 971993307 /nfs/dbraw/zinc/99/33/07/971993307.db2.gz XSOHQVYMEBPNNS-NRFANRHFSA-N 0 1 424.589 3.885 20 10 HHCDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NCc3ccc(N4CCOCC4)cc3)[nH]c2c1 ZINC000141148348 970100641 /nfs/dbraw/zinc/10/06/41/970100641.db2.gz VMDJOKVCPFVXOK-QFIPXVFZSA-N 0 1 419.529 3.755 20 10 HHCDMN COc1cccc(CN[C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)c1O ZINC000237412360 970280280 /nfs/dbraw/zinc/28/02/80/970280280.db2.gz JLFZESOFBHXRES-QFIPXVFZSA-N 0 1 411.523 3.992 20 10 HHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2nnc(C(F)(F)F)s2)C1 ZINC000435628065 980967175 /nfs/dbraw/zinc/96/71/75/980967175.db2.gz PHBMXXIZHOHGRF-UHFFFAOYSA-N 0 1 423.464 3.917 20 10 HHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCCCNc2ccccn2)C1 ZINC000444177520 986355420 /nfs/dbraw/zinc/35/54/20/986355420.db2.gz WZDAVBAGEBHYBT-UHFFFAOYSA-N 0 1 419.573 3.811 20 10 HHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)CC(=O)c2ccco2)C1 ZINC000444300713 986486216 /nfs/dbraw/zinc/48/62/16/986486216.db2.gz ANKBGAOLWLWYPG-KRWDZBQOSA-N 0 1 407.514 3.779 20 10 HHCDMN COc1ccc([C@H](CNC(=O)NCc2c(C)c3ccccc3n2C)N(C)C)cc1OC ZINC000471496526 989694099 /nfs/dbraw/zinc/69/40/99/989694099.db2.gz PURQJSDQNPXJOE-NRFANRHFSA-N 0 1 424.545 3.606 20 10 HHCDMN CSc1nc(Cl)cc(N2CCC[N@@H+](Cc3cc(F)c(F)cc3[O-])CC2)n1 ZINC001142530391 1072425473 /nfs/dbraw/zinc/42/54/73/1072425473.db2.gz HBCPICCSGSFIBW-UHFFFAOYSA-N 0 1 400.882 3.548 20 10 HHCDMN CC[C@H](OC1CCCCC1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000760521443 1072503451 /nfs/dbraw/zinc/50/34/51/1072503451.db2.gz VHAURTYRKAAWDK-QFIPXVFZSA-N 0 1 405.558 3.712 20 10 HHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)C1 ZINC000571083010 1072557182 /nfs/dbraw/zinc/55/71/82/1072557182.db2.gz ZHBHDKAPRNWIKA-JWQCQUIFSA-N 0 1 407.558 3.578 20 10 HHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@H]2c2cc[nH]n2)C1 ZINC000571308499 1072600582 /nfs/dbraw/zinc/60/05/82/1072600582.db2.gz KPNITBUVLGJKTM-QHCPKHFHSA-N 0 1 405.546 3.885 20 10 HHCDMN COc1cnccc1-c1noc(Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000571721473 1072711232 /nfs/dbraw/zinc/71/12/32/1072711232.db2.gz TXZARRZZSLFNEL-UHFFFAOYSA-N 0 1 403.486 3.910 20 10 HHCDMN COc1cc(Cl)cc(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1O ZINC000761216398 1075632987 /nfs/dbraw/zinc/63/29/87/1075632987.db2.gz QKWABEIELWJUJL-OALUTQOASA-N 0 1 411.329 3.869 20 10 HHCDMN CCN(CC)[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1 ZINC000303162519 971535739 /nfs/dbraw/zinc/53/57/39/971535739.db2.gz AAXFLAOYWQUZAA-XMMPIXPASA-N 0 1 409.574 3.595 20 10 HHCDMN COc1ccc(N2CCN(CCCNC(=S)Nc3cccc(C)c3C)CC2)cc1 ZINC000007027531 960982571 /nfs/dbraw/zinc/98/25/71/960982571.db2.gz GSDOZARQIDERSJ-UHFFFAOYSA-N 0 1 412.603 3.811 20 10 HHCDMN COc1ccc(N2CCN(CCCNC(=S)Nc3cccc(Cl)c3)CC2)cc1 ZINC000018169102 963282382 /nfs/dbraw/zinc/28/23/82/963282382.db2.gz CTEKMZDKQCWWOJ-UHFFFAOYSA-N 0 1 418.994 3.847 20 10 HHCDMN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cccc2c1OCCO2 ZINC000054175786 965409877 /nfs/dbraw/zinc/40/98/77/965409877.db2.gz RPGJWRVEOGVTAA-UHFFFAOYSA-N 0 1 408.420 3.603 20 10 HHCDMN CN(C)c1ccc(CNC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000054401650 965504890 /nfs/dbraw/zinc/50/48/90/965504890.db2.gz OOEXOEHNOCBXFN-UHFFFAOYSA-N 0 1 400.954 3.870 20 10 HHCDMN CCN(CC)c1ccc(CNCc2ccccc2S(=O)(=O)N2CCCCC2)cc1 ZINC000030659748 965758160 /nfs/dbraw/zinc/75/81/60/965758160.db2.gz YIBRWUXJHNGTGI-UHFFFAOYSA-N 0 1 415.603 3.997 20 10 HHCDMN COc1ccc(N2CCCN(CC(=O)N[C@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000097476964 969143638 /nfs/dbraw/zinc/14/36/38/969143638.db2.gz BGEAMOLGHYVUSC-QGZVFWFLSA-N 0 1 401.938 3.738 20 10 HHCDMN COc1ccc(N2CCCN([C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000097494617 969147739 /nfs/dbraw/zinc/14/77/39/969147739.db2.gz XEYQWCMPSIRDIQ-YHLJFGAHSA-N 0 1 411.590 3.681 20 10 HHCDMN Fc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1F ZINC000139819194 970047558 /nfs/dbraw/zinc/04/75/58/970047558.db2.gz GHCLOPJDTRSFIL-UHFFFAOYSA-N 0 1 413.447 3.510 20 10 HHCDMN COc1ccc(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)c(OC)c1 ZINC000435616911 980963897 /nfs/dbraw/zinc/96/38/97/980963897.db2.gz UPJRSPWEWMDGFY-UHFFFAOYSA-N 0 1 421.541 3.741 20 10 HHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1 ZINC000435635933 980969863 /nfs/dbraw/zinc/96/98/63/980969863.db2.gz LLPYABIROYCKBA-UHFFFAOYSA-N 0 1 418.541 3.748 20 10 HHCDMN COc1ccc(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)cc1OC ZINC000435660135 980977163 /nfs/dbraw/zinc/97/71/63/980977163.db2.gz RUBQZUPUEXGYBG-UHFFFAOYSA-N 0 1 421.541 3.741 20 10 HHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)C1 ZINC000435823885 981046603 /nfs/dbraw/zinc/04/66/03/981046603.db2.gz BJGSIFDJOZBESN-URXFXBBRSA-N 0 1 419.573 3.904 20 10 HHCDMN Cc1cc(C2CCN(C(=O)Cn3c4ccccc4c4c3CCN(C(C)C)C4)CC2)[nH]n1 ZINC000444351876 986533980 /nfs/dbraw/zinc/53/39/80/986533980.db2.gz LIVVEUBMWUWYIZ-UHFFFAOYSA-N 0 1 419.573 3.846 20 10 HHCDMN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000471125295 989232169 /nfs/dbraw/zinc/23/21/69/989232169.db2.gz PSGQTVZZAQPKBE-UHFFFAOYSA-N 0 1 405.546 3.869 20 10 HHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cc([C@H]3CCCO3)[nH]n2)C1 ZINC000473849770 994786884 /nfs/dbraw/zinc/78/68/84/994786884.db2.gz LKZAGPDNUSQZLP-OAQYLSRUSA-N 0 1 407.518 3.621 20 10 HHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000512560143 1004385612 /nfs/dbraw/zinc/38/56/12/1004385612.db2.gz RZQBOQPAWRLFFF-LJQANCHMSA-N 0 1 419.573 3.548 20 10 HHCDMN Cc1nnc([C@H]2CCCCN2C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)[nH]1 ZINC000513939458 1005196042 /nfs/dbraw/zinc/19/60/42/1005196042.db2.gz FNPHFNBDKDWDNT-JOCHJYFZSA-N 0 1 420.561 3.588 20 10 HHCDMN Cc1cc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)cc2nc[nH]c21 ZINC000545731059 1008820179 /nfs/dbraw/zinc/82/01/79/1008820179.db2.gz SMIOCSKWLRDVCV-UHFFFAOYSA-N 0 1 401.451 3.804 20 10 HHCDMN CC(C)(C)OC(=O)N1CCC2(CC1)COCC[N@@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001142508784 1072404745 /nfs/dbraw/zinc/40/47/45/1072404745.db2.gz LJQLYKOAVFSWJJ-UHFFFAOYSA-N 0 1 412.477 3.520 20 10 HHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)C1 ZINC000571083011 1072557335 /nfs/dbraw/zinc/55/73/35/1072557335.db2.gz ZHBHDKAPRNWIKA-LOSJGSFVSA-N 0 1 407.558 3.578 20 10 HHCDMN COC(=O)c1ccc(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)cc1 ZINC000555851767 1073902944 /nfs/dbraw/zinc/90/29/44/1073902944.db2.gz QAQSTRASMKGRBA-UHFFFAOYSA-N 0 1 419.525 3.511 20 10 HHCDMN CC1CCN(c2ccc(CNC(=O)NC3CCN(Cc4ccccn4)CC3)cc2)CC1 ZINC000303372448 971667070 /nfs/dbraw/zinc/66/70/70/971667070.db2.gz KLUIBTAHEYCMBQ-UHFFFAOYSA-N 0 1 421.589 3.782 20 10 HHCDMN COc1ccc(N2CCN(CCCNC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000011853459 962201761 /nfs/dbraw/zinc/20/17/61/962201761.db2.gz NKJVVXWCRRDPEK-UHFFFAOYSA-N 0 1 409.574 3.935 20 10 HHCDMN O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000021997430 963574630 /nfs/dbraw/zinc/57/46/30/963574630.db2.gz WELASLOJOJSTBF-UHFFFAOYSA-N 0 1 405.454 3.520 20 10 HHCDMN CN(Cc1c(F)cccc1Cl)C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000096971039 969068349 /nfs/dbraw/zinc/06/83/49/969068349.db2.gz PPBULQUPLJESNK-KRWDZBQOSA-N 0 1 420.912 3.824 20 10 HHCDMN CCCN(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)Cc1ccccc1O ZINC000110078762 969620182 /nfs/dbraw/zinc/62/01/82/969620182.db2.gz KIHWHABAQVLSPV-UHFFFAOYSA-N 0 1 421.497 3.766 20 10 HHCDMN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)cc1 ZINC000110707846 969711425 /nfs/dbraw/zinc/71/14/25/969711425.db2.gz ONOKUJIVCZFTND-VWLOTQADSA-N 0 1 416.569 3.813 20 10 HHCDMN C[C@H](c1ccccc1)N(CC(=O)NC(=O)NCc1ccco1)Cc1ccccc1O ZINC000216482786 970075297 /nfs/dbraw/zinc/07/52/97/970075297.db2.gz BJOPWLAHEBKVGL-QGZVFWFLSA-N 0 1 407.470 3.574 20 10 HHCDMN CS(=O)(=O)c1cccc(Oc2ncccc2CNCc2ccc3c(c2)CCO3)c1 ZINC000237478209 970295333 /nfs/dbraw/zinc/29/53/33/970295333.db2.gz HUHJMSMUKQAUJI-UHFFFAOYSA-N 0 1 410.495 3.502 20 10 HHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cc(C(N)=O)ccc2Cl)C1 ZINC000435625646 980966036 /nfs/dbraw/zinc/96/60/36/980966036.db2.gz HBNZHTSINOTCOE-UHFFFAOYSA-N 0 1 424.932 3.799 20 10 HHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(-n3ccnn3)cc2)C1 ZINC000435715412 980998116 /nfs/dbraw/zinc/99/81/16/980998116.db2.gz BEASLIUEIAVQMQ-UHFFFAOYSA-N 0 1 414.513 3.627 20 10 HHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccc3nc[nH]c(=O)c3c2)C1 ZINC000435755057 981017483 /nfs/dbraw/zinc/01/74/83/981017483.db2.gz ZNVANIHZUFMGTK-UHFFFAOYSA-N 0 1 415.497 3.695 20 10 HHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)C1 ZINC000435823887 981046364 /nfs/dbraw/zinc/04/63/64/981046364.db2.gz BJGSIFDJOZBESN-ZJSXRUAMSA-N 0 1 419.573 3.904 20 10 HHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000435905924 981085726 /nfs/dbraw/zinc/08/57/26/981085726.db2.gz DAXTYQLNPGSODM-WVQWTBLQSA-N 0 1 421.585 3.872 20 10 HHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCCc2ccc(O)cc2)C1 ZINC000444261333 986458762 /nfs/dbraw/zinc/45/87/62/986458762.db2.gz RBXOEDUEYQEVRG-UHFFFAOYSA-N 0 1 405.542 3.862 20 10 HHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCc2c[nH]c3ncccc23)C1 ZINC000444267305 986462424 /nfs/dbraw/zinc/46/24/24/986462424.db2.gz JYKQVJHSQKQGFL-UHFFFAOYSA-N 0 1 415.541 3.643 20 10 HHCDMN CC(=O)c1ccc(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)nc1C ZINC000444318104 986499379 /nfs/dbraw/zinc/49/93/79/986499379.db2.gz XEHSUEJVYRCMMM-UHFFFAOYSA-N 0 1 418.541 3.630 20 10 HHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H]2C2CCOCC2)C1 ZINC000444347248 986530490 /nfs/dbraw/zinc/53/04/90/986530490.db2.gz XFHNFYPVJFXYBG-JOCHJYFZSA-N 0 1 409.574 3.825 20 10 HHCDMN Cc1cc(-c2nc(-c3ccc4[nH]cnc4c3)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000546443924 1009461900 /nfs/dbraw/zinc/46/19/00/1009461900.db2.gz SNWNMTCKNQFNTN-UHFFFAOYSA-N 0 1 401.451 3.804 20 10 HHCDMN COc1ccc2ccc(O)c(CN3CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)c2c1 ZINC000760430427 1072349695 /nfs/dbraw/zinc/34/96/95/1072349695.db2.gz ZXQJDYKRMURNBN-QVKFZJNVSA-N 0 1 416.518 3.668 20 10 HHCDMN COc1ccc2ccc(O)c(CN3CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)c2c1 ZINC000760430434 1072349738 /nfs/dbraw/zinc/34/97/38/1072349738.db2.gz ZXQJDYKRMURNBN-YCRPNKLZSA-N 0 1 416.518 3.668 20 10 HHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001142520672 1072415395 /nfs/dbraw/zinc/41/53/95/1072415395.db2.gz NOEIKAGFZDOQOZ-YADHBBJMSA-N 0 1 404.457 3.653 20 10 HHCDMN C[N@@H+](CCc1ccncc1)Cc1cc(Br)cc(Br)c1[O-] ZINC000757886994 1073411506 /nfs/dbraw/zinc/41/15/06/1073411506.db2.gz IIKZXNFGFRFKPM-UHFFFAOYSA-N 0 1 400.114 3.987 20 10 HHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)COc1cccc2[nH]ccc21 ZINC000760869939 1074493645 /nfs/dbraw/zinc/49/36/45/1074493645.db2.gz YGGSPZMVXCKYGJ-INIZCTEOSA-N 0 1 419.319 3.898 20 10 HHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)COc1cccc2[nH]ccc21 ZINC000760869939 1074493647 /nfs/dbraw/zinc/49/36/47/1074493647.db2.gz YGGSPZMVXCKYGJ-INIZCTEOSA-N 0 1 419.319 3.898 20 10 HHCDMN CCN(CC)c1ccc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000761220189 1075651126 /nfs/dbraw/zinc/65/11/26/1075651126.db2.gz VTHPCFPUEVKCQY-UHFFFAOYSA-N 0 1 413.562 3.881 20 10 HHCDMN CCOc1ccc([C@H]2CCCN2CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000302758232 971305760 /nfs/dbraw/zinc/30/57/60/971305760.db2.gz NGONXGMXUCMHPU-XMMPIXPASA-N 0 1 423.557 3.580 20 10 HHCDMN CCN(Cc1cccs1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000303277796 971593869 /nfs/dbraw/zinc/59/38/69/971593869.db2.gz HRWIYUHYSXUIGT-UHFFFAOYSA-N 0 1 404.555 3.761 20 10 HHCDMN CCN1CCN(c2ccc(CNC(=O)Cc3ccc(C(F)(F)F)cc3)cc2F)CC1 ZINC000303284757 971598437 /nfs/dbraw/zinc/59/84/37/971598437.db2.gz JOHACONVSDJBGI-UHFFFAOYSA-N 0 1 423.454 3.845 20 10 HHCDMN C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000010056339 961735250 /nfs/dbraw/zinc/73/52/50/961735250.db2.gz QXWOQVIKQLGEFA-JOCHJYFZSA-N 0 1 420.601 3.846 20 10 HHCDMN COc1ccc(N2CCN(CCCNC(=S)Nc3ccc(C)cc3C)CC2)cc1 ZINC000018169105 963282501 /nfs/dbraw/zinc/28/25/01/963282501.db2.gz PWKUPPJAYLDZSS-UHFFFAOYSA-N 0 1 412.603 3.811 20 10 HHCDMN COc1ccc(N2CCN(CCCNc3ccc4ncccc4c3[N+](=O)[O-])CC2)cc1 ZINC000059376270 966018774 /nfs/dbraw/zinc/01/87/74/966018774.db2.gz OBVYAZKMXZCOHL-UHFFFAOYSA-N 0 1 421.501 3.776 20 10 HHCDMN CC[C@@H]([NH2+]CCn1cc(Br)cn1)c1cc(Br)ccc1[O-] ZINC000380443083 972776883 /nfs/dbraw/zinc/77/68/83/972776883.db2.gz CKCULTUEITWPCS-CYBMUJFWSA-N 0 1 403.118 3.855 20 10 HHCDMN Cc1noc([C@H]2CCCN(C(=O)Cn3c4ccccc4c4c3CCN(C(C)C)C4)C2)n1 ZINC000435492094 980901153 /nfs/dbraw/zinc/90/11/53/980901153.db2.gz DATUILFOAXEZPZ-SFHVURJKSA-N 0 1 421.545 3.505 20 10 HHCDMN CNC(=O)c1cccc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)c1C ZINC000435550142 980936428 /nfs/dbraw/zinc/93/64/28/980936428.db2.gz XMHIWIBPCGDYJH-UHFFFAOYSA-N 0 1 418.541 3.715 20 10 HHCDMN COCc1ccc(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)cc1 ZINC000435630000 980967209 /nfs/dbraw/zinc/96/72/09/980967209.db2.gz VPYWVTIXDPMXNN-UHFFFAOYSA-N 0 1 405.542 3.871 20 10 HHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)c2cccnc2N(C)C)C1 ZINC000435822858 981046449 /nfs/dbraw/zinc/04/64/49/981046449.db2.gz VUYLZIODEYRQHI-UHFFFAOYSA-N 0 1 405.546 3.532 20 10 HHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCCC[C@H]2n2cccn2)C1 ZINC000435823886 981046494 /nfs/dbraw/zinc/04/64/94/981046494.db2.gz BJGSIFDJOZBESN-XUZZJYLKSA-N 0 1 419.573 3.904 20 10 HHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(-c3nc[nH]n3)cc2)C1 ZINC000435862435 981064605 /nfs/dbraw/zinc/06/46/05/981064605.db2.gz ZFQXEPUXAVEAJY-UHFFFAOYSA-N 0 1 414.513 3.832 20 10 HHCDMN Cc1noc(C)c1[C@@H](C)CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435909733 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