smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2c(C)nc(N3CCC(C(=O)NCc4ccc(F)c(F)c4)CC3)nc2c1 ZINC000012167061 132355696 /nfs/dbraw/zinc/35/56/96/132355696.db2.gz QDBYUFKDKXGKPQ-UHFFFAOYSA-N 0 0 410.468 4.058 10 0 HIAERN CCOc1ccc(CCN2C(=O)C(=Cc3ccc(C)o3)NC2=S)cc1OCC ZINC000020177324 520947293 /nfs/dbraw/zinc/94/72/93/520947293.db2.gz JLULPLNNGSCFAT-LGMDPLHJSA-N 0 0 400.500 4.097 10 0 HIAERN CCOc1ccc(NC(=O)c2c(-c3ccc(F)cc3)nnn2CSCC)cc1 ZINC000032611807 521112684 /nfs/dbraw/zinc/11/26/84/521112684.db2.gz GIHMHTLBLOXFSI-UHFFFAOYSA-N 0 0 400.479 4.446 10 0 HIAERN CCCCc1ccc(NC(=O)Cn2c3sc(C)nc3c(-c3ccco3)nc2=O)cc1 ZINC000041105073 521279147 /nfs/dbraw/zinc/27/91/47/521279147.db2.gz PRUGLQBRWWISEA-UHFFFAOYSA-N 0 0 422.510 4.403 10 0 HIAERN COc1cc(C(=O)Nc2cnn(Cc3cccc4ccccc43)c2)cc(OC)c1OC ZINC000032609611 522164838 /nfs/dbraw/zinc/16/48/38/522164838.db2.gz MVHUJGFBUKNLJE-UHFFFAOYSA-N 0 0 417.465 4.363 10 0 HIAERN COc1ccc(-c2nc(SCC(=O)Nc3cccc(Br)c3)no2)cc1 ZINC000032612004 523223198 /nfs/dbraw/zinc/22/31/98/523223198.db2.gz RDRPNRPLVGPMTP-UHFFFAOYSA-N 0 0 420.288 4.239 10 0 HIAERN Cc1ccc(N(Cc2nnc3n2c2ccccc2c(=O)n3C)Cc2ccccc2)cc1 ZINC000032836201 524902357 /nfs/dbraw/zinc/90/23/57/524902357.db2.gz SLWXCXCJIBOSQC-UHFFFAOYSA-N 0 0 409.493 4.096 10 0 HIAERN O=C([C@H]1CCCN(c2nccc3sccc32)C1)N1CCN(c2ccccc2F)CC1 ZINC000033299694 526538977 /nfs/dbraw/zinc/53/89/77/526538977.db2.gz HVYUAMROEVDEIZ-KRWDZBQOSA-N 0 0 424.545 4.001 10 0 HIAERN Nc1nnc(CCNC(=O)c2ccccc2SCc2ccc(Cl)cc2)s1 ZINC000020202431 527577927 /nfs/dbraw/zinc/57/79/27/527577927.db2.gz MXKZLQNQDPJCRJ-UHFFFAOYSA-N 0 0 404.948 4.039 10 0 HIAERN Cc1ccc(-c2nc3s/c(=C\c4cccc(Oc5ccccc5)c4)c(=O)n3n2)cc1 ZINC000006503649 557705657 /nfs/dbraw/zinc/70/56/57/557705657.db2.gz WNCOTXVRVXAUKF-QNGOZBTKSA-N 0 0 411.486 4.466 10 0 HIAERN Cc1c(C(=O)NCc2ccco2)sc2ncnc(NCCc3ccccc3F)c12 ZINC000014958146 558683189 /nfs/dbraw/zinc/68/31/89/558683189.db2.gz ICCGFYDFBYZQCX-UHFFFAOYSA-N 0 0 410.474 4.316 10 0 HIAERN O=C(N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1)c1cc(=O)c2ccccc2o1 ZINC000014961562 558684048 /nfs/dbraw/zinc/68/40/48/558684048.db2.gz RZDFBKPZCKGVPA-SFHVURJKSA-N 0 0 421.403 4.064 10 0 HIAERN Cc1cccc2c(NCc3ccccc3F)nc(CNC(=O)c3cncs3)nc12 ZINC000012209786 560891860 /nfs/dbraw/zinc/89/18/60/560891860.db2.gz SZNLIQBEYUBMPX-UHFFFAOYSA-N 0 0 407.474 4.076 10 0 HIAERN Cc1cccc(-c2ccc(C(=O)NC3CCCCCC3)c(N3CCC(O)CC3)n2)c1 ZINC000014978207 568519716 /nfs/dbraw/zinc/51/97/16/568519716.db2.gz VWTPNAQAWXOZGN-UHFFFAOYSA-N 0 0 407.558 4.471 10 0 HIAERN CCC(=O)NCCc1csc(C2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)n1 ZINC000096373000 568684467 /nfs/dbraw/zinc/68/44/67/568684467.db2.gz GVLKPFFSHVOYNM-UHFFFAOYSA-N 0 0 418.538 4.071 10 0 HIAERN CC[C@H](C)N(CCc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)CCc1ccccc1 ZINC000096293537 568721794 /nfs/dbraw/zinc/72/17/94/568721794.db2.gz PNHKXGZCLLGKSK-KRWDZBQOSA-N 0 0 421.497 4.268 10 0 HIAERN CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccc(C)cc3)c(C)c2c1 ZINC000002459863 568771964 /nfs/dbraw/zinc/77/19/64/568771964.db2.gz IWCIOFDUBLCTDD-UHFFFAOYSA-N 0 0 414.527 4.010 10 0 HIAERN COc1cc(OC)c(NC(=O)CCc2nc(-c3ccccc3F)no2)cc1Cl ZINC000004921280 568947140 /nfs/dbraw/zinc/94/71/40/568947140.db2.gz DHYOJAQCYKCBII-UHFFFAOYSA-N 0 0 405.813 4.118 10 0 HIAERN CC(C)(C)c1ccc(C(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1 ZINC000224256882 569056609 /nfs/dbraw/zinc/05/66/09/569056609.db2.gz BOWXVRFYMASJGM-UHFFFAOYSA-N 0 0 415.541 4.353 10 0 HIAERN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)NCc3ccccc3C)C2)cc1 ZINC000064452407 569062944 /nfs/dbraw/zinc/06/29/44/569062944.db2.gz YZCOKEAVFBDVMA-NRFANRHFSA-N 0 0 416.525 4.419 10 0 HIAERN COc1ccc(CNC(=O)CCc2c(C)nc3c(c(C)nn3C(C)(C)C)c2C)cc1 ZINC000006809028 569133040 /nfs/dbraw/zinc/13/30/40/569133040.db2.gz WMIXCFAPJVSOEM-UHFFFAOYSA-N 0 0 408.546 4.369 10 0 HIAERN COc1ccccc1NC(=O)Nc1nc2c(s1)CN(Cc1ccc(F)cc1)C2=O ZINC000065273981 569214752 /nfs/dbraw/zinc/21/47/52/569214752.db2.gz SUOQTCRLTBMNMS-UHFFFAOYSA-N 0 0 412.446 4.091 10 0 HIAERN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCc2nc(N3CCCCC3)ncc2C1 ZINC000065289453 569217819 /nfs/dbraw/zinc/21/78/19/569217819.db2.gz HSWSOQZTSROFPE-AWEZNQCLSA-N 0 0 404.436 4.229 10 0 HIAERN Cc1cc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)cc(Br)c1O ZINC000226243915 569278749 /nfs/dbraw/zinc/27/87/49/569278749.db2.gz VODQMBOKTMZVDZ-UHFFFAOYSA-N 0 0 423.332 4.377 10 0 HIAERN CCc1cc(I)ccc1NC(=O)c1ccc(Cl)c(N)c1 ZINC000226268948 569278939 /nfs/dbraw/zinc/27/89/39/569278939.db2.gz PCZOKTAZEKTVTK-UHFFFAOYSA-N 0 0 400.647 4.342 10 0 HIAERN Cc1cc(NC(=O)c2cc(N)ccc2Cl)c(C)cc1I ZINC000226269155 569278960 /nfs/dbraw/zinc/27/89/60/569278960.db2.gz INXSGFVYBHXIDZ-UHFFFAOYSA-N 0 0 400.647 4.396 10 0 HIAERN O=C(Nc1ccc(F)cc1F)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000015734741 571261801 /nfs/dbraw/zinc/26/18/01/571261801.db2.gz HDOMPSLNGGWDPQ-UHFFFAOYSA-N 0 0 400.454 4.338 10 0 HIAERN O=S(=O)(c1ccccc1)N(c1ccc(F)cc1)C1CCN(Cc2ccco2)CC1 ZINC000034683683 571313544 /nfs/dbraw/zinc/31/35/44/571313544.db2.gz ZUONNPKSFKBZLK-UHFFFAOYSA-N 0 0 414.502 4.279 10 0 HIAERN CCN(Cc1nn(-c2ccccc2)c2c1CN(Cc1ccccc1)CC2)C(=O)C(C)C ZINC000037377113 571313924 /nfs/dbraw/zinc/31/39/24/571313924.db2.gz QBACKXOJUPUWDN-UHFFFAOYSA-N 0 0 416.569 4.435 10 0 HIAERN CC(=O)N1CCC[C@H](C(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)C1 ZINC000028572124 581096533 /nfs/dbraw/zinc/09/65/33/581096533.db2.gz QSYYXXNSCFXCDV-FQEVSTJZSA-N 0 0 415.497 4.084 10 0 HIAERN Cc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)N[C@H]2CCCC[C@@H]2C)cc1C ZINC000004575624 132279055 /nfs/dbraw/zinc/27/90/55/132279055.db2.gz CQVFCGVLBDGSMN-GSMBIVSISA-N 0 0 407.514 4.196 10 0 HIAERN Cc1nc(N2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)nc2ccccc12 ZINC000014998926 132460890 /nfs/dbraw/zinc/46/08/90/132460890.db2.gz FMQKLKJDCWPIIN-QHCPKHFHSA-N 0 0 400.526 4.348 10 0 HIAERN CC[C@@H](C)NC(=O)C1CCN(c2ccc(NC(=O)Nc3ccc(C)cc3C)cn2)CC1 ZINC000040455496 522143371 /nfs/dbraw/zinc/14/33/71/522143371.db2.gz PGKOILHVOHWTQU-GOSISDBHSA-N 0 0 423.561 4.474 10 0 HIAERN CC[C@H](C(=O)Nc1cc(C)ccc1OC)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944747 523797449 /nfs/dbraw/zinc/79/74/49/523797449.db2.gz PSJCXQRUXFOFMF-OAHLLOKOSA-N 0 0 419.403 4.322 10 0 HIAERN Cc1ccc(OCc2nnc(SCc3cc(=O)c4cccc(F)c4[nH]3)n2C)cc1C ZINC000041077352 525452716 /nfs/dbraw/zinc/45/27/16/525452716.db2.gz AVPXUHLLRZDCFY-UHFFFAOYSA-N 0 0 424.501 4.284 10 0 HIAERN O=C(NN1C(=O)c2ccccc2N[C@H]1c1ccccc1)c1ccc(Br)cc1 ZINC000001438630 557263244 /nfs/dbraw/zinc/26/32/44/557263244.db2.gz HQADZWJIQXNICD-LJQANCHMSA-N 0 0 422.282 4.361 10 0 HIAERN COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)C(C)C)N(Cc1cccc(F)c1)CC2 ZINC000034855755 557477349 /nfs/dbraw/zinc/47/73/49/557477349.db2.gz GSMFCAOVTQWUFI-WAIKUNEKSA-N 0 0 414.521 4.103 10 0 HIAERN O=C(N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1)c1cc(=O)c2ccccc2o1 ZINC000014961566 558684053 /nfs/dbraw/zinc/68/40/53/558684053.db2.gz RZDFBKPZCKGVPA-GOSISDBHSA-N 0 0 421.403 4.064 10 0 HIAERN C[C@H]1S[C@@]2(c3ccccc3N(CN3CCC(C)CC3)C2=O)N(c2ccccc2)C1=O ZINC000016609276 558796564 /nfs/dbraw/zinc/79/65/64/558796564.db2.gz UTCRHBORNRXUAI-HOYKHHGWSA-N 0 0 421.566 4.044 10 0 HIAERN C[C@@H]1S[C@@]2(c3ccccc3N(CN3CCC(C)CC3)C2=O)N(c2ccccc2)C1=O ZINC000016609272 558796654 /nfs/dbraw/zinc/79/66/54/558796654.db2.gz UTCRHBORNRXUAI-MHECFPHRSA-N 0 0 421.566 4.044 10 0 HIAERN COC(=O)c1cc2c([nH]1)[C@@H](NC(=O)OCC1c3ccccc3-c3ccccc31)CC2 ZINC000725245437 559074864 /nfs/dbraw/zinc/07/48/64/559074864.db2.gz HDAWCZDBTPOHTA-FQEVSTJZSA-N 0 0 402.450 4.327 10 0 HIAERN CCc1cc(=O)n(CC(=O)NCc2ccccc2Cl)c(-c2cccc(Cl)c2)n1 ZINC000057527440 568850785 /nfs/dbraw/zinc/85/07/85/568850785.db2.gz FBASMVVXCSCDDG-UHFFFAOYSA-N 0 0 416.308 4.096 10 0 HIAERN CC(C)(C)OC(=O)NCCN1Sc2ccc(I)cc2S1 ZINC000521400019 568998093 /nfs/dbraw/zinc/99/80/93/568998093.db2.gz PWZNBDAVURHPRS-UHFFFAOYSA-N 0 0 424.329 4.146 10 0 HIAERN CC[C@H](C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000035724392 569053349 /nfs/dbraw/zinc/05/33/49/569053349.db2.gz XCABYOKIEPFHKC-YOEHRIQHSA-N 0 0 409.515 4.380 10 0 HIAERN CCOC(=O)[C@H]1CCCN(C(=O)c2c(C)c(CC)c(C)n2Cc2ccc(C)cc2)C1 ZINC000006801567 569129195 /nfs/dbraw/zinc/12/91/95/569129195.db2.gz MESVTLDYURMNAB-NRFANRHFSA-N 0 0 410.558 4.439 10 0 HIAERN Cc1cccc(-c2noc(N3CCOCC3)c2CN(C(=O)c2ccccc2)C2CC2)c1 ZINC000036314263 569133944 /nfs/dbraw/zinc/13/39/44/569133944.db2.gz GTYPKSQZFLKTRN-UHFFFAOYSA-N 0 0 417.509 4.291 10 0 HIAERN C[C@H](CCc1ccccc1)NC(=O)c1cccc(-c2cnc(N3CCCC3)nc2)c1 ZINC000065025698 569156412 /nfs/dbraw/zinc/15/64/12/569156412.db2.gz VHCYTUSRHWEYLU-LJQANCHMSA-N 0 0 400.526 4.495 10 0 HIAERN C[C@@H](CCc1ccccc1)NC(=O)c1cccc(-c2cnc(N3CCCC3)nc2)c1 ZINC000065025697 569156457 /nfs/dbraw/zinc/15/64/57/569156457.db2.gz VHCYTUSRHWEYLU-IBGZPJMESA-N 0 0 400.526 4.495 10 0 HIAERN CC(C)NC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)NCc2ccco2)c1 ZINC000037600787 569309066 /nfs/dbraw/zinc/30/90/66/569309066.db2.gz BFVFWFHIZIFBFI-UHFFFAOYSA-N 0 0 423.488 4.402 10 0 HIAERN O=C(Nc1ccccc1)c1nnc([C@@H]2CCCN(C(=O)NC3CCCCC3)C2)s1 ZINC000033113561 571309092 /nfs/dbraw/zinc/30/90/92/571309092.db2.gz DEJOYXBFZJGPOO-OAHLLOKOSA-N 0 0 413.547 4.012 10 0 HIAERN Cc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(C)c(F)c3)C(=O)C2)cc1 ZINC000101881337 571314156 /nfs/dbraw/zinc/31/41/56/571314156.db2.gz JQWJACWIRCQBKU-UHFFFAOYSA-N 0 0 416.456 4.334 10 0 HIAERN CCCCC(=O)NCc1ccc(-c2nc(-c3ccc(N4CCOCC4)cc3)c[nH]2)cc1 ZINC000023315989 571315401 /nfs/dbraw/zinc/31/54/01/571315401.db2.gz JSWWGFBRQYXNSG-UHFFFAOYSA-N 0 0 418.541 4.387 10 0 HIAERN Cc1nc(-c2cccc(F)c2)nc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1C ZINC000006836429 132318492 /nfs/dbraw/zinc/31/84/92/132318492.db2.gz JCRFYVDXKOWYSP-UHFFFAOYSA-N 0 0 408.452 4.001 10 0 HIAERN CCOC(=O)N1Cc2c(C(F)(F)F)nc(=O)[nH]c2C(=Cc2ccc(Cl)cc2)C1 ZINC000043464093 520971917 /nfs/dbraw/zinc/97/19/17/520971917.db2.gz NDZSFNCKBQUIKI-YRNVUSSQSA-N 0 0 413.783 4.367 10 0 HIAERN CC[C@H](C(=O)N(CC)c1ccccc1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944731 523754897 /nfs/dbraw/zinc/75/48/97/523754897.db2.gz KUYWSOPQEUEILQ-MRXNPFEDSA-N 0 0 403.404 4.420 10 0 HIAERN Cc1cccc(NC(=O)N2CCN(C(=O)Cc3csc4ccccc34)CC2)c1C ZINC000032971513 524620595 /nfs/dbraw/zinc/62/05/95/524620595.db2.gz LRXFATIUQIZKDB-UHFFFAOYSA-N 0 0 407.539 4.437 10 0 HIAERN Cc1csc2nc(COc3ccc(NC(=O)c4cccc(C)c4)cc3)cc(=O)n12 ZINC000041077416 526455476 /nfs/dbraw/zinc/45/54/76/526455476.db2.gz HHTCNCONDKAVTD-UHFFFAOYSA-N 0 0 405.479 4.204 10 0 HIAERN Cc1nc2c(s1)n(CC(=O)Nc1cc(C)cc(C)c1)c(=O)nc2-c1cccs1 ZINC000032615824 527113488 /nfs/dbraw/zinc/11/34/88/527113488.db2.gz FIXDIDHRSXUKJZ-UHFFFAOYSA-N 0 0 410.524 4.145 10 0 HIAERN COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)C(C)C)N(Cc1ccc(F)cc1)CC2 ZINC000034855751 557477099 /nfs/dbraw/zinc/47/70/99/557477099.db2.gz OXCSTBMTNIMBRJ-MWTRTKDXSA-N 0 0 414.521 4.103 10 0 HIAERN CCc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000020112330 558336305 /nfs/dbraw/zinc/33/63/05/558336305.db2.gz HXNIYSTZWAOFPS-PTUXEOADSA-N 0 0 421.541 4.387 10 0 HIAERN CCn1ncc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)c1C ZINC000012320701 558382575 /nfs/dbraw/zinc/38/25/75/558382575.db2.gz RDOGDCWLHPYONN-QFIPXVFZSA-N 0 0 419.529 4.392 10 0 HIAERN CCOc1ccccc1-c1nc(Cn2cnc3nc4c(cc3c2=O)CCCC4)c(C)o1 ZINC000033059674 558953767 /nfs/dbraw/zinc/95/37/67/558953767.db2.gz DVRCQZCUXZKARV-UHFFFAOYSA-N 0 0 416.481 4.081 10 0 HIAERN CCN(Cc1ccncc1)C(=O)c1ccc(-c2ccc(OC)c(OC)c2OC)s1 ZINC000023336863 559172610 /nfs/dbraw/zinc/17/26/10/559172610.db2.gz GXXJMAJKGWZXTR-UHFFFAOYSA-N 0 0 412.511 4.498 10 0 HIAERN O=C(CCN1C(=O)S/C(=C/c2ccccc2)C1=O)N1CCCC[C@H]1c1cccnc1 ZINC000033543341 559209384 /nfs/dbraw/zinc/20/93/84/559209384.db2.gz NQXVAAVYBPPKFT-AZGFIHASSA-N 0 0 421.522 4.262 10 0 HIAERN Cc1ccc2c(=O)c(S(=O)(=O)c3ccccc3)cn(Cc3cccc(Cl)c3)c2n1 ZINC000045994952 568423178 /nfs/dbraw/zinc/42/31/78/568423178.db2.gz YJFIAFFJVAUWGU-UHFFFAOYSA-N 0 0 424.909 4.239 10 0 HIAERN CC(C)CC(=O)Nc1c2ccccc2oc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000020464690 568610142 /nfs/dbraw/zinc/61/01/42/568610142.db2.gz FZVZAUYEOUSGIT-UHFFFAOYSA-N 0 0 419.525 4.375 10 0 HIAERN O=C(N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)Nc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000097111966 568713960 /nfs/dbraw/zinc/71/39/60/568713960.db2.gz LZMHYQKNQSCPER-CQDKDKBSSA-N 0 0 409.433 4.192 10 0 HIAERN Cc1cc(OC[C@H]2CN(C(=O)[C@@H](C)Oc3ccccc3Cl)CCO2)ccc1Cl ZINC000022625111 568756605 /nfs/dbraw/zinc/75/66/05/568756605.db2.gz XGLOUJYYBZNOAD-NVXWUHKLSA-N 0 0 424.324 4.376 10 0 HIAERN CC(=O)Nc1nc2ccc(NC(=O)CCc3nc(-c4ccc(C)cc4)no3)cc2s1 ZINC000021883044 568757839 /nfs/dbraw/zinc/75/78/39/568757839.db2.gz KRPHKKGHBWPBBX-UHFFFAOYSA-N 0 0 421.482 4.184 10 0 HIAERN Cc1nc2ccccn2c1-c1nnc2sc(Cc3ccc4c(c3)CCCC4)nn21 ZINC000227143299 568828012 /nfs/dbraw/zinc/82/80/12/568828012.db2.gz KDOYRZIDTJVQRQ-UHFFFAOYSA-N 0 0 400.511 4.279 10 0 HIAERN CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2cnn(-c3ccccc3C)c2C)c1C ZINC000012596753 568869126 /nfs/dbraw/zinc/86/91/26/568869126.db2.gz SQCLBRULDWNGON-HNNXBMFYSA-N 0 0 408.502 4.102 10 0 HIAERN O=C(NCCc1ccccc1)c1ccc(C[S@](=O)Cc2ccccc2Cl)o1 ZINC000006895847 569175770 /nfs/dbraw/zinc/17/57/70/569175770.db2.gz OKNUMOYTLHJLKN-MHZLTWQESA-N 0 0 401.915 4.354 10 0 HIAERN COc1cc(-c2nc3cc(NC(=O)C(F)(F)F)cc(C)c3o2)cc(OC)c1OC ZINC000226272232 569279033 /nfs/dbraw/zinc/27/90/33/569279033.db2.gz BPYBRULNHGTTSX-UHFFFAOYSA-N 0 0 410.348 4.330 10 0 HIAERN CC(C)CN(C[C@@H]1CN(C(=O)c2ccco2)CCO1)C(=O)c1cccc2ccccc21 ZINC000037607934 569309767 /nfs/dbraw/zinc/30/97/67/569309767.db2.gz DZEWJQHAWUJMAQ-FQEVSTJZSA-N 0 0 420.509 4.072 10 0 HIAERN O=S(=O)(NCc1cccn1Cc1ccc(Cl)cc1)c1ccc(F)c(Cl)c1 ZINC000009527454 571266214 /nfs/dbraw/zinc/26/62/14/571266214.db2.gz ORTMCTGQZMBPKC-UHFFFAOYSA-N 0 0 413.301 4.461 10 0 HIAERN COc1ccc(C)cc1N1CCN(C(=O)c2ccc(Cl)cc2Cl)[C@@H](C)C1=O ZINC000037520500 571313968 /nfs/dbraw/zinc/31/39/68/571313968.db2.gz XLXGGWWWOKPBKN-ZDUSSCGKSA-N 0 0 407.297 4.188 10 0 HIAERN O=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OCCN1Cc1ncccn1 ZINC000206191652 571317126 /nfs/dbraw/zinc/31/71/26/571317126.db2.gz YNUAEEJQYHYLMS-UHFFFAOYSA-N 0 0 415.371 4.077 10 0 investigational HIAERN Cc1cc(OCc2cccnc2)c(C)c2c1CC[C@@H]([C@H](C)C(=O)N1CCCC1)[C@H]2O ZINC000003841686 291267856 /nfs/dbraw/zinc/26/78/56/291267856.db2.gz CUFCOCGMBYDLRX-CODAWKSHSA-N 0 0 408.542 4.132 10 0 HIAERN C[C@H]1CCCC[C@@H]1NC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000002457789 132254924 /nfs/dbraw/zinc/25/49/24/132254924.db2.gz DIKVPKKFSRNKHD-SDYXESRWSA-N 0 0 413.905 4.232 10 0 HIAERN Cc1cccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000006739961 132314357 /nfs/dbraw/zinc/31/43/57/132314357.db2.gz BCLHHSHZHHPFPG-UHFFFAOYSA-N 0 0 406.574 4.222 10 0 HIAERN CN(Cc1ccon1)C1CCN(c2ccc(NC(=O)Cc3cccc(F)c3)cc2)CC1 ZINC000012191703 132356405 /nfs/dbraw/zinc/35/64/05/132356405.db2.gz NASXYQZZCROZFY-UHFFFAOYSA-N 0 0 422.504 4.096 10 0 HIAERN COc1cccc(NC(=O)Nc2nn(Cc3ccccc3F)cc2Br)c1 ZINC000032609987 526195955 /nfs/dbraw/zinc/19/59/55/526195955.db2.gz KWAXUNMAIBGPLU-UHFFFAOYSA-N 0 0 419.254 4.486 10 0 HIAERN Cc1cc([C@@H]2CC[C@H](C(=O)NC3CC3)CN2C(=O)NCc2ccccc2)ccc1F ZINC000034716492 557429817 /nfs/dbraw/zinc/42/98/17/557429817.db2.gz NZSMXGRGDRQNOZ-UGKGYDQZSA-N 0 0 409.505 4.076 10 0 HIAERN Cc1cc([C@@H]2CC[C@@H](C(=O)NC3CC3)CN2C(=O)NCc2ccccc2)ccc1F ZINC000034716496 557429894 /nfs/dbraw/zinc/42/98/94/557429894.db2.gz NZSMXGRGDRQNOZ-KNQAVFIVSA-N 0 0 409.505 4.076 10 0 HIAERN COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)C(C)C)N(Cc1ccc(F)cc1)CC2 ZINC000034855750 557477155 /nfs/dbraw/zinc/47/71/55/557477155.db2.gz OXCSTBMTNIMBRJ-HJPURHCSSA-N 0 0 414.521 4.103 10 0 HIAERN CCn1nc(C(=O)N2CCN([C@@H](C)c3ccccc3)CC2)cc1-c1ccc(F)c(F)c1 ZINC000034901930 557481522 /nfs/dbraw/zinc/48/15/22/557481522.db2.gz ZCBNLDFBLQOPMC-KRWDZBQOSA-N 0 0 424.495 4.367 10 0 HIAERN Cc1c(C(=O)NCc2cccc(Cl)c2)sc2ncnc(NC[C@@H]3CCCO3)c12 ZINC000012030071 558310945 /nfs/dbraw/zinc/31/09/45/558310945.db2.gz HSIBVILSYAANQC-HNNXBMFYSA-N 0 0 416.934 4.174 10 0 HIAERN CCC(=O)N1CCN(C(=O)c2cc3ccsc3n2[C@H](C)c2ccccc2)C[C@H]1C ZINC000004527396 558653860 /nfs/dbraw/zinc/65/38/60/558653860.db2.gz XYINSWNATDLYHP-IAGOWNOFSA-N 0 0 409.555 4.395 10 0 HIAERN CC(C)c1ccc(NC(=O)N2CCc3nc(Cc4ccccc4F)[nH]c(=O)c3C2)cc1 ZINC000004719175 558918784 /nfs/dbraw/zinc/91/87/84/558918784.db2.gz PWKOUACGSRIKJM-UHFFFAOYSA-N 0 0 420.488 4.213 10 0 HIAERN COc1ccc(CNC(=O)c2cn(CC(C)C)c(=O)c3c2c2ccccc2n3C)cc1 ZINC000004788550 559064136 /nfs/dbraw/zinc/06/41/36/559064136.db2.gz MSQDZBNBMKITRR-UHFFFAOYSA-N 0 0 417.509 4.088 10 0 HIAERN CCCCC(=O)N(CCCOC)CC(=O)N(Cc1cccs1)Cc1ccccc1 ZINC000004796554 559066162 /nfs/dbraw/zinc/06/61/62/559066162.db2.gz KNIPRNMKCFWPOP-UHFFFAOYSA-N 0 0 416.587 4.332 10 0 HIAERN Cc1noc(C)c1CC(=O)NC[C@@H]1Cc2c(ccc3cc(-c4cccnc4)ccc23)O1 ZINC000011913079 559267066 /nfs/dbraw/zinc/26/70/66/559267066.db2.gz NOBUJNBJNRAKSA-FQEVSTJZSA-N 0 0 413.477 4.169 10 0 HIAERN Cc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1C ZINC000169691938 560765581 /nfs/dbraw/zinc/76/55/81/560765581.db2.gz UMRYMGLLFZSQLW-ZQWNRZOVSA-N 0 0 421.541 4.442 10 0 HIAERN O=C(c1cc2ccccc2[nH]c1=O)N1CCCC[C@H]1c1nnc(-c2ccccc2F)o1 ZINC000583621919 560777178 /nfs/dbraw/zinc/77/71/78/560777178.db2.gz SOWLEKUPPDEYFB-IBGZPJMESA-N 0 0 418.428 4.497 10 0 HIAERN CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C ZINC000096028587 560870716 /nfs/dbraw/zinc/87/07/16/560870716.db2.gz BGOHUONBRPEIPD-CJNGLKHVSA-N 0 0 414.340 4.474 10 0 HIAERN O=c1c2ccccc2n2c(-c3ccc(F)c(F)c3)nnc2n1CCc1ccccc1 ZINC000006781257 568459243 /nfs/dbraw/zinc/45/92/43/568459243.db2.gz BKJZQZFHRCYIJD-UHFFFAOYSA-N 0 0 402.404 4.232 10 0 HIAERN CC[C@@H](C(=O)Nc1c(C)cccc1C)n1nc(C)n2c(cc3cc(C)ccc32)c1=O ZINC000006803393 568459926 /nfs/dbraw/zinc/45/99/26/568459926.db2.gz KNIAIYYRQRHPQS-IBGZPJMESA-N 0 0 402.498 4.473 10 0 HIAERN CSc1ncccc1C(=O)N1CCOc2ccc([C@H](O)C3CCCCC3)cc2C1 ZINC000014972534 568499875 /nfs/dbraw/zinc/49/98/75/568499875.db2.gz CCCSVGAALWBZAY-OAQYLSRUSA-N 0 0 412.555 4.452 10 0 HIAERN O=C(NC[C@@H]1Cc2cccc(-c3cncnc3)c2O1)[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000014991301 568718429 /nfs/dbraw/zinc/71/84/29/568718429.db2.gz PRVBRKFBULTYQV-PGRDOPGGSA-N 0 0 424.504 4.165 10 0 HIAERN CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2cnn(-c3ccccc3C)c2C)c1C ZINC000012596757 568869178 /nfs/dbraw/zinc/86/91/78/568869178.db2.gz SQCLBRULDWNGON-OAHLLOKOSA-N 0 0 408.502 4.102 10 0 HIAERN O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCN(c2nccnc2Oc2ccccc2)C1 ZINC000064452460 569062922 /nfs/dbraw/zinc/06/29/22/569062922.db2.gz PUVYVDLHBSQARB-OAHLLOKOSA-N 0 0 410.424 4.402 10 0 HIAERN O=C(Nc1cc(F)cc(F)c1)[C@H]1CCCN(c2nccnc2Oc2ccccc2)C1 ZINC000064452459 569062931 /nfs/dbraw/zinc/06/29/31/569062931.db2.gz PUVYVDLHBSQARB-HNNXBMFYSA-N 0 0 410.424 4.402 10 0 HIAERN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)NCc3ccccc3C)C2)cc1 ZINC000064452409 569062933 /nfs/dbraw/zinc/06/29/33/569062933.db2.gz YZCOKEAVFBDVMA-OAQYLSRUSA-N 0 0 416.525 4.419 10 0 HIAERN Cc1ccc(S(=O)(=O)C2C(=O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000064558266 569066949 /nfs/dbraw/zinc/06/69/49/569066949.db2.gz GKOKFBCYHYOZGN-NRFANRHFSA-N 0 0 419.502 4.322 10 0 HIAERN CCn1c(CN(C)C(=O)Nc2cc(C)cc(C)c2)nc2cc(C(=O)N(C)C)ccc21 ZINC000065008243 569152874 /nfs/dbraw/zinc/15/28/74/569152874.db2.gz XBVJDGPLYNUNOY-UHFFFAOYSA-N 0 0 407.518 4.039 10 0 HIAERN COc1cc(NC(=O)c2cc(NC(=O)C(C)C)cc3nc(C)ccc32)cc(OC)c1 ZINC000065135975 569184127 /nfs/dbraw/zinc/18/41/27/569184127.db2.gz VTOUSDOKLIHHIO-UHFFFAOYSA-N 0 0 407.470 4.407 10 0 HIAERN O=C(Cc1cccc(F)c1)N1CCC[C@H](c2ccnc(Nc3ccc(F)cc3)n2)C1 ZINC000065148264 569184355 /nfs/dbraw/zinc/18/43/55/569184355.db2.gz UHEDJYQUKSLGHU-KRWDZBQOSA-N 0 0 408.452 4.447 10 0 HIAERN O=C(NCc1ccc(F)c(Cl)c1)C1CCN(c2nnc(-c3ccccc3)o2)CC1 ZINC000065229416 569200454 /nfs/dbraw/zinc/20/04/54/569200454.db2.gz OSHZUVLGSGMFEQ-UHFFFAOYSA-N 0 0 414.868 4.062 10 0 HIAERN CC[C@H](C(=O)N1CCOCC1)N(c1nc(C(C)(C)C)cs1)c1ccc(OC)cc1 ZINC000037439370 569299492 /nfs/dbraw/zinc/29/94/92/569299492.db2.gz LAJBJRHKKZESRX-GOSISDBHSA-N 0 0 417.575 4.225 10 0 HIAERN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@@H](O)C[C@@H](c3ccc(SC)cc3)N21 ZINC000012603212 291264132 /nfs/dbraw/zinc/26/41/32/291264132.db2.gz HFSHGDJQQTZPEE-RWXMBLCBSA-N 0 0 422.550 4.227 10 0 HIAERN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)NCc3ccco3)cc12 ZINC000004881591 132291482 /nfs/dbraw/zinc/29/14/82/132291482.db2.gz IJMAKMZVLIPPNB-UHFFFAOYSA-N 0 0 420.513 4.162 10 0 HIAERN Cc1ccc2c(C)nc(N3CCC[C@@H](C(=O)N4CCc5sccc5C4)C3)nc2c1 ZINC000012150815 132355270 /nfs/dbraw/zinc/35/52/70/132355270.db2.gz IYDKLWSKOYCTBW-GOSISDBHSA-N 0 0 406.555 4.109 10 0 HIAERN Cc1nnc(-c2ccc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)nn2)s1 ZINC000034885724 132799823 /nfs/dbraw/zinc/79/98/23/132799823.db2.gz NVUJDKDVOZVALT-UHFFFAOYSA-N 0 0 421.448 4.370 10 0 in-vivo HIAERN COc1cc(/C=C2/SC(=N)NC2=O)ccc1OCCCOc1cc(C)ccc1C ZINC000041077979 521951552 /nfs/dbraw/zinc/95/15/52/521951552.db2.gz ZKDUTXUCRPPZQD-DEDYPNTBSA-N 0 0 412.511 4.299 10 0 HIAERN Cc1cccc(NC(=O)CSc2cc(C(=O)c3nccn3C)c3ccccc3n2)c1 ZINC000012615651 524602612 /nfs/dbraw/zinc/60/26/12/524602612.db2.gz YGCVFNLGCDQOKK-UHFFFAOYSA-N 0 0 416.506 4.239 10 0 HIAERN O=c1/c(=C/c2cccs2)sc2n1[C@H](c1ccccc1)C=C(c1ccccc1)N=2 ZINC000020509946 527433340 /nfs/dbraw/zinc/43/33/40/527433340.db2.gz QSYLZYXIUVJCNF-RUAJRXAUSA-N 0 0 400.528 4.064 10 0 HIAERN Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Sc1nnc(C(F)(F)F)n1C ZINC000001047889 527574517 /nfs/dbraw/zinc/57/45/17/527574517.db2.gz NXYIRCVORAGIKY-UHFFFAOYSA-N 0 0 415.828 4.140 10 0 HIAERN COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)C(C)C)N(Cc1cccc(F)c1)CC2 ZINC000034855754 557477252 /nfs/dbraw/zinc/47/72/52/557477252.db2.gz GSMFCAOVTQWUFI-QMHKHESXSA-N 0 0 414.521 4.103 10 0 HIAERN CCOC(=O)c1cc(C(C)(C)C)n(C2CCN(C(=O)c3cc(F)ccc3C)CC2)n1 ZINC000022642129 557488718 /nfs/dbraw/zinc/48/87/18/557488718.db2.gz CTRFTGYTWSDPFM-UHFFFAOYSA-N 0 0 415.509 4.282 10 0 HIAERN O=C(NCCCc1ccccc1)[C@@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1 ZINC000064929175 558535331 /nfs/dbraw/zinc/53/53/31/558535331.db2.gz BBUQJVFMAUZVCN-JOCHJYFZSA-N 0 0 400.526 4.109 10 0 HIAERN CCN(Cc1ccccc1)C(=O)c1sc2ncnc(NC[C@@H]3CCCO3)c2c1C ZINC000014985282 558692630 /nfs/dbraw/zinc/69/26/30/558692630.db2.gz CIPKAAMSXVJGBO-KRWDZBQOSA-N 0 0 410.543 4.253 10 0 HIAERN Cc1ccc(NC(=S)N(CCCN2CCOCC2)Cc2ccc(F)cc2)c(C)c1 ZINC000017090400 558818986 /nfs/dbraw/zinc/81/89/86/558818986.db2.gz YKXOGEGYINUDTH-UHFFFAOYSA-N 0 0 415.578 4.364 10 0 HIAERN CC(C)[NH+]1CCC(CNC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])CC1 ZINC000725245629 559075452 /nfs/dbraw/zinc/07/54/52/559075452.db2.gz WQKVDOCMXWBYCF-UHFFFAOYSA-N 0 0 422.525 4.100 10 0 HIAERN O=C(NC12CC3CC(CC(C3)C1)C2)N1CCS[C@@H]1c1ccc2c(c1)OCCO2 ZINC000004930079 559209056 /nfs/dbraw/zinc/20/90/56/559209056.db2.gz RZFTTXHJRKNSKS-AIRYCRCHSA-N 0 0 400.544 4.184 10 0 HIAERN O=C([C@@H]1CC=CCC1)N1CCOc2ccc(CN3CCc4sccc4C3)cc2C1 ZINC000012149814 560890365 /nfs/dbraw/zinc/89/03/65/560890365.db2.gz SZWLXCZYJQNUHW-LJQANCHMSA-N 0 0 408.567 4.384 10 0 HIAERN CCN(CC)c1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000002467383 568417884 /nfs/dbraw/zinc/41/78/84/568417884.db2.gz SHBUGXJZOKKBRD-UHFFFAOYSA-N 0 0 420.962 4.440 10 0 HIAERN COc1ccccc1NC(=O)COc1cc(C)nc2ccc(Br)cc21 ZINC000227149107 568828009 /nfs/dbraw/zinc/82/80/09/568828009.db2.gz WJDDNMWOQLDCMX-UHFFFAOYSA-N 0 0 401.260 4.332 10 0 HIAERN Cc1ccc(-c2nc(C(=O)NCc3ccc4c(c3)OCO4)c3n2CCCCC3)cc1 ZINC000015677694 568966139 /nfs/dbraw/zinc/96/61/39/568966139.db2.gz QQBIFTYSGLLIMO-UHFFFAOYSA-N 0 0 403.482 4.244 10 0 HIAERN CCOc1ccc2nc(N3CCC[C@@H](C(=O)N4C[C@H](C)C[C@H](C)C4)C3)sc2c1 ZINC000005106526 568979474 /nfs/dbraw/zinc/97/94/74/568979474.db2.gz YBFKXHBXKSXCTD-IXDOHACOSA-N 0 0 401.576 4.416 10 0 HIAERN CN(C)c1nc(N2CCCCC2)ncc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000224356005 569059783 /nfs/dbraw/zinc/05/97/83/569059783.db2.gz IYIPFPAEEYZHKR-UHFFFAOYSA-N 0 0 401.514 4.452 10 0 HIAERN CC(C)CCNC(=O)[C@H]1CN(C(=O)CC(C)C)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000036042145 569082413 /nfs/dbraw/zinc/08/24/13/569082413.db2.gz GFCZUCSQEMXXRA-OALUTQOASA-N 0 0 412.496 4.456 10 0 HIAERN C[C@H](NC(=O)CCNc1c(-c2cccc(F)c2)nc2cnccn21)c1cccs1 ZINC000064759319 569090737 /nfs/dbraw/zinc/09/07/37/569090737.db2.gz DDZQPLCFCDZYHO-AWEZNQCLSA-N 0 0 409.490 4.276 10 0 HIAERN CCn1cc([C@H](CC(=O)NCCCOC)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000006724314 569100091 /nfs/dbraw/zinc/10/00/91/569100091.db2.gz BFRQHJLPFMISAW-LJQANCHMSA-N 0 0 408.498 4.065 10 0 HIAERN CC[C@H](C)N(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C(=O)C(C)C ZINC000036313218 569133058 /nfs/dbraw/zinc/13/30/58/569133058.db2.gz ZZTKIKQWCAKCEN-INIZCTEOSA-N 0 0 403.498 4.100 10 0 HIAERN O=C(CC[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000065136862 569183491 /nfs/dbraw/zinc/18/34/91/569183491.db2.gz NJVAEXAHYYJZIE-NRFANRHFSA-N 0 0 420.557 4.060 10 0 HIAERN CCCOc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(Br)c2)cc1 ZINC000226244072 569278786 /nfs/dbraw/zinc/27/87/86/569278786.db2.gz RBNKUUPMZVPQJE-UHFFFAOYSA-N 0 0 423.332 4.379 10 0 HIAERN COc1ccc(OC)c([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000003098450 569356773 /nfs/dbraw/zinc/35/67/73/569356773.db2.gz NEBTZYWFQXGDAE-QFIPXVFZSA-N 0 0 411.498 4.158 10 0 HIAERN Cc1cccn2c(CN3CCC[C@@H]3c3nccs3)c(C(=O)N3CCCCC3)nc12 ZINC000019790928 569429824 /nfs/dbraw/zinc/42/98/24/569429824.db2.gz AEIYXIHOQYGADL-QGZVFWFLSA-N 0 0 409.559 4.062 10 0 HIAERN O=C(Nc1ccccc1)c1nnc([C@H]2CCCN(C(=O)NC3CCCCC3)C2)s1 ZINC000033113562 571309073 /nfs/dbraw/zinc/30/90/73/571309073.db2.gz DEJOYXBFZJGPOO-HNNXBMFYSA-N 0 0 413.547 4.012 10 0 HIAERN O=C(Cc1cccc(N(Cc2ccc(F)cc2)C(=O)c2ccccc2)c1)NC1CC1 ZINC000037600735 571313961 /nfs/dbraw/zinc/31/39/61/571313961.db2.gz UCWJCRUVQQVAFZ-UHFFFAOYSA-N 0 0 402.469 4.494 10 0 HIAERN CC1=C[C@@H](CNS(=O)(=O)C(C)C)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2[nH]1 ZINC000072320799 291262655 /nfs/dbraw/zinc/26/26/55/291262655.db2.gz OARLWHMWCGNGRX-FHWLQOOXSA-N 0 0 403.592 4.288 10 0 HIAERN Cc1ccc(N2C(=O)N(CC(=O)C(C)(C)C)c3ccccc3S2(=O)=O)cc1Cl ZINC000006918373 132320841 /nfs/dbraw/zinc/32/08/41/132320841.db2.gz NAZMLVPBHSJOPM-UHFFFAOYSA-N 0 0 420.918 4.399 10 0 HIAERN CCOC(=O)c1c(C)c(C(=O)[C@H](C)N(CCC(C)C)C(=O)C2CCC2)c(C)n1C ZINC000040392286 521388232 /nfs/dbraw/zinc/38/82/32/521388232.db2.gz NUHIKFNNVTYLGB-KRWDZBQOSA-N 0 0 404.551 4.065 10 0 HIAERN CCc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000020112324 558336233 /nfs/dbraw/zinc/33/62/33/558336233.db2.gz HXNIYSTZWAOFPS-KCLXPQBDSA-N 0 0 421.541 4.387 10 0 HIAERN O=C(c1cccs1)N(Cc1ccc(OCc2nc(CO)cs2)cc1)C1CC1 ZINC000036094236 558858454 /nfs/dbraw/zinc/85/84/54/558858454.db2.gz DHWBXNDFCGCEIX-UHFFFAOYSA-N 0 0 400.525 4.081 10 0 HIAERN CCN(C(=O)[C@H](C)n1c2ccccc2nc(C(F)(F)F)c1=O)c1cccc(C)c1 ZINC000033251033 558919506 /nfs/dbraw/zinc/91/95/06/558919506.db2.gz MOLZZEGFHMRVCU-AWEZNQCLSA-N 0 0 403.404 4.338 10 0 HIAERN COc1c(C)cnc(C[S@](=O)c2nc3cc(OCc4ccccc4)ccc3[nH]2)c1C ZINC000022051310 558985769 /nfs/dbraw/zinc/98/57/69/558985769.db2.gz ZUFHBARHZCYCPS-SSEXGKCCSA-N 0 0 421.522 4.470 10 0 in-vitro HIAERN COc1ccc(F)c(-c2nc(CN(C)Cc3nc(-c4ccccc4)no3)c(C)o2)c1 ZINC000023338913 559173014 /nfs/dbraw/zinc/17/30/14/559173014.db2.gz FIVQYWJFUZMFHA-UHFFFAOYSA-N 0 0 408.433 4.480 10 0 HIAERN O=C(NC1CCCCC1)C1(N(C(=O)c2cnccn2)c2ccccc2)CCCCC1 ZINC000003626063 568920877 /nfs/dbraw/zinc/92/08/77/568920877.db2.gz HYJSLOZPKHZHRG-UHFFFAOYSA-N 0 0 406.530 4.275 10 0 HIAERN CC(C)N(C)C(=O)[C@H]1CN(C(=O)c2cccs2)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000036042259 569082388 /nfs/dbraw/zinc/08/23/88/569082388.db2.gz JPZUIWGJIYRMEG-SJORKVTESA-N 0 0 424.488 4.490 10 0 HIAERN CC(C)CCNC(=O)[C@@H]1CN(C(=O)CC(C)C)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000036042142 569082428 /nfs/dbraw/zinc/08/24/28/569082428.db2.gz GFCZUCSQEMXXRA-RTBURBONSA-N 0 0 412.496 4.456 10 0 HIAERN Cc1ccccc1CNC(=O)CCC(=O)N1Cc2ccccc2Oc2ncccc21 ZINC000006902103 569178084 /nfs/dbraw/zinc/17/80/84/569178084.db2.gz WKBBPUXDMZTKMT-UHFFFAOYSA-N 0 0 401.466 4.126 10 0 HIAERN COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCc3ccco3)o2)cc1 ZINC000007002494 569198943 /nfs/dbraw/zinc/19/89/43/569198943.db2.gz NSYOEYNIYITOFB-UHFFFAOYSA-N 0 0 410.451 4.388 10 0 HIAERN Cc1[nH]c2ccccc2c1C1CCN(C(=O)C2CCN(C(=O)NC(C)C)CC2)CC1 ZINC000065609751 569237529 /nfs/dbraw/zinc/23/75/29/569237529.db2.gz KPDBGHHWFUEESQ-UHFFFAOYSA-N 0 0 410.562 4.012 10 0 HIAERN Nc1ccc(N2CCCCC2)c(NC(=O)c2ccc(I)cc2)c1 ZINC000226259014 569278652 /nfs/dbraw/zinc/27/86/52/569278652.db2.gz JQFUAPKALLBGHC-UHFFFAOYSA-N 0 0 421.282 4.116 10 0 HIAERN Nc1ccc(NC(=S)NC(=O)c2cccc3ccccc32)c(Br)c1 ZINC000226238561 569278717 /nfs/dbraw/zinc/27/87/17/569278717.db2.gz NDEAKDAIVRAOJO-UHFFFAOYSA-N 0 0 400.301 4.311 10 0 HIAERN CC(C)CN(C[C@H]1CN(C(=O)c2ccco2)CCO1)C(=O)c1cccc2ccccc21 ZINC000037607937 569309736 /nfs/dbraw/zinc/30/97/36/569309736.db2.gz DZEWJQHAWUJMAQ-HXUWFJFHSA-N 0 0 420.509 4.072 10 0 HIAERN O=C(Nc1ccc(F)c(Cl)c1)N1CCC(n2cnc3ccc(F)cc3c2=O)CC1 ZINC000033278380 571309293 /nfs/dbraw/zinc/30/92/93/571309293.db2.gz HPIXSJCKRBKMCL-UHFFFAOYSA-N 0 0 418.831 4.197 10 0 HIAERN CCCN(CCC)C(=O)[C@@H]1COC2(CCC(C)CC2)N1C(=O)c1ccccc1F ZINC000034920952 571313793 /nfs/dbraw/zinc/31/37/93/571313793.db2.gz ZXVWRLOAJAKOIA-GTPZEUEISA-N 0 0 404.526 4.222 10 0 HIAERN CC1(C)[C@H](Cc2cc(COC(=O)c3ccccc3)on2)C[C@@H]1NC(=O)c1ccccc1 ZINC000067889696 291262111 /nfs/dbraw/zinc/26/21/11/291262111.db2.gz ZHDLFEWQHYLJFR-KNQAVFIVSA-N 0 0 418.493 4.419 10 0 HIAERN Cc1nc(N2CCC(C(=O)N(C)Cc3ccsc3)CC2)nc2cc3c(cc12)CCC3 ZINC000012150062 132355258 /nfs/dbraw/zinc/35/52/58/132355258.db2.gz VGVBCKOHLMIKDT-UHFFFAOYSA-N 0 0 420.582 4.363 10 0 HIAERN CC(=O)c1ccc(NC(=O)CCN2c3cccnc3Sc3ccccc3C2=O)cc1 ZINC000020512071 518358111 /nfs/dbraw/zinc/35/81/11/518358111.db2.gz MXTNWRKSFZGAFI-UHFFFAOYSA-N 0 0 417.490 4.424 10 0 HIAERN CCc1ccccc1OCc1nnc(SCc2cc(=O)c3ccc(C)cc3[nH]2)n1C ZINC000041108694 521923295 /nfs/dbraw/zinc/92/32/95/521923295.db2.gz ICFIQJVCPCHRRP-UHFFFAOYSA-N 0 0 420.538 4.399 10 0 HIAERN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)NCc1cc(F)ccc1F ZINC000033312557 526899136 /nfs/dbraw/zinc/89/91/36/526899136.db2.gz DKVACEYMXCDYFE-UHFFFAOYSA-N 0 0 402.470 4.198 10 0 HIAERN COCCCNC(=O)c1cn2c(n1)CC[C@@H](c1ccc(Oc3ccccc3)cc1)C2 ZINC000034898968 557480749 /nfs/dbraw/zinc/48/07/49/557480749.db2.gz FZNJPGVSOLGIQP-LJQANCHMSA-N 0 0 405.498 4.172 10 0 HIAERN O=C(CN1c2ccccc2S[C@H](c2ccco2)CC1=O)NCc1ccc(F)cc1 ZINC000005053360 557630893 /nfs/dbraw/zinc/63/08/93/557630893.db2.gz CDXZQTVMGLGNRP-FQEVSTJZSA-N 0 0 410.470 4.305 10 0 HIAERN O=C(CN1c2ccccc2S[C@@H](c2ccco2)CC1=O)NCc1ccc(F)cc1 ZINC000005053357 557630981 /nfs/dbraw/zinc/63/09/81/557630981.db2.gz CDXZQTVMGLGNRP-HXUWFJFHSA-N 0 0 410.470 4.305 10 0 HIAERN Cc1ccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000064662124 558964918 /nfs/dbraw/zinc/96/49/18/558964918.db2.gz JINIQAMGAUZHJE-QHCPKHFHSA-N 0 0 407.539 4.489 10 0 HIAERN CCn1nc(C)c2ccnc(N3CCC(C(=O)N[C@@H](C)c4ccc(C)c(C)c4)CC3)c21 ZINC000033299116 559048352 /nfs/dbraw/zinc/04/83/52/559048352.db2.gz QFAYZZXZAVLBOM-SFHVURJKSA-N 0 0 419.573 4.470 10 0 HIAERN CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725241043 559068047 /nfs/dbraw/zinc/06/80/47/559068047.db2.gz SXPGGRXGGIDBPU-GOSISDBHSA-N 0 0 422.525 4.197 10 0 HIAERN CCNc1nc(NC(C)C)nc(SCCOc2ccc(Br)cc2)n1 ZINC000002483294 560775736 /nfs/dbraw/zinc/77/57/36/560775736.db2.gz UZRNCKVMRHLIDL-UHFFFAOYSA-N 0 0 412.357 4.057 10 0 HIAERN Cc1ccc(C(=O)N2CCC(c3nc(CNC(=O)C4CCC4)cs3)CC2)c(C)c1 ZINC000096372640 568740015 /nfs/dbraw/zinc/74/00/15/568740015.db2.gz YCMRMAINPNSRJN-UHFFFAOYSA-N 0 0 411.571 4.196 10 0 HIAERN CC(C)(C)OC(=O)NCCN1Sc2cccc(I)c2S1 ZINC000521400018 568998045 /nfs/dbraw/zinc/99/80/45/568998045.db2.gz PHVYFSNIJFCNDW-UHFFFAOYSA-N 0 0 424.329 4.146 10 0 HIAERN CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(O)cc3O)SC2=S)cc1 ZINC000005521438 569019614 /nfs/dbraw/zinc/01/96/14/569019614.db2.gz GVFXXTGBXKLIAH-WQRHYEAKSA-N 0 0 400.525 4.350 10 0 HIAERN O=C1c2ccccc2Sc2cc(-c3noc(-c4cnccn4)n3)ccc2N1C1CC1 ZINC000035453841 569037809 /nfs/dbraw/zinc/03/78/09/569037809.db2.gz ASTXHKRSUWDWQE-UHFFFAOYSA-N 0 0 413.462 4.467 10 0 HIAERN COc1ccc(CN(c2ccc(OC)cc2)S(=O)(=O)c2cccc(OC)c2)cc1 ZINC000036248394 569117424 /nfs/dbraw/zinc/11/74/24/569117424.db2.gz ANVMEEYULAZNON-UHFFFAOYSA-N 0 0 413.495 4.108 10 0 HIAERN O=C(CC[C@H]1CCCN(C(=O)Nc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000065136861 569183514 /nfs/dbraw/zinc/18/35/14/569183514.db2.gz NJVAEXAHYYJZIE-OAQYLSRUSA-N 0 0 420.557 4.060 10 0 HIAERN COc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)cc1Br ZINC000226268777 569278936 /nfs/dbraw/zinc/27/89/36/569278936.db2.gz NMNOAKGZSDBNCA-UHFFFAOYSA-N 0 0 404.308 4.283 10 0 HIAERN Nc1cc(NC(=O)c2ccccc2I)ccc1N1CCCCC1 ZINC000226266218 569278968 /nfs/dbraw/zinc/27/89/68/569278968.db2.gz IBQBYUJNICWRJM-UHFFFAOYSA-N 0 0 421.282 4.116 10 0 HIAERN CCCCNC(=O)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 ZINC000013355329 569411391 /nfs/dbraw/zinc/41/13/91/569411391.db2.gz CQTSIVRREPJNEG-UHFFFAOYSA-N 0 0 422.550 4.362 10 0 HIAERN Cc1ccc(CN2C[C@H]3CN(Cc4cccc(OC(F)(F)F)c4)CCN3C2=O)cc1 ZINC000096269150 291268107 /nfs/dbraw/zinc/26/81/07/291268107.db2.gz INBXYDBWBQXAQB-LJQANCHMSA-N 0 0 419.447 4.016 10 0 HIAERN Cc1cc(N2CCOCC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12 ZINC000003649835 132267655 /nfs/dbraw/zinc/26/76/55/132267655.db2.gz RZMABJIIBFYCCM-UHFFFAOYSA-N 0 0 411.889 4.051 10 0 HIAERN COc1ccc(CN2CCN(c3ncnc4sc5c(c43)C[C@@H](C)CC5)CC2)cc1 ZINC000006728502 132313879 /nfs/dbraw/zinc/31/38/79/132313879.db2.gz KFMCQPOXKWYEHI-INIZCTEOSA-N 0 0 408.571 4.147 10 0 HIAERN CCOc1ccccc1N1CCN(C(=O)c2cc(C[C@H](C)c3ccccc3)no2)CC1 ZINC000011909206 132352110 /nfs/dbraw/zinc/35/21/10/132352110.db2.gz WUUKWJJNWKFVKB-IBGZPJMESA-N 0 0 419.525 4.382 10 0 HIAERN COc1ccc(Cc2nc(-c3cccc(NC(=O)COc4ccccc4)c3)no2)cc1 ZINC000032647512 524164936 /nfs/dbraw/zinc/16/49/36/524164936.db2.gz DGGBGHDAPYJMPU-UHFFFAOYSA-N 0 0 415.449 4.354 10 0 HIAERN CC(=O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)o2)cc1 ZINC000027976680 534871146 /nfs/dbraw/zinc/87/11/46/534871146.db2.gz OELULSWFRSHZEV-UHFFFAOYSA-N 0 0 422.456 4.163 10 0 HIAERN C[C@H]1CCCCN1CN1c2ccccc2C2(OCC(C)(c3ccccc3)CO2)C1=O ZINC000020569931 526250428 /nfs/dbraw/zinc/25/04/28/526250428.db2.gz NPHMEKFBMIWLEY-CCYWVKEMSA-N 0 0 406.526 4.023 10 0 HIAERN COc1ccc(CC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 ZINC000005383763 557649867 /nfs/dbraw/zinc/64/98/67/557649867.db2.gz ACJCKOSUHVHLJO-AWEZNQCLSA-N 0 0 400.544 4.188 10 0 HIAERN O=C(/C=C/c1cccc(F)c1)N1CC[C@H]2[C@H](CCC(=O)N2CCc2ccccc2F)C1 ZINC000012157500 558340683 /nfs/dbraw/zinc/34/06/83/558340683.db2.gz RNAOSSRAIYRJBR-VVJVDFIWSA-N 0 0 424.491 4.060 10 0 HIAERN O=C(c1noc2c1CCCC2)N1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1 ZINC000012596160 558437728 /nfs/dbraw/zinc/43/77/28/558437728.db2.gz AZCYZQSGIKBSTN-UHFFFAOYSA-N 0 0 422.447 4.030 10 0 HIAERN CCC(=O)N1CCN(C(=O)c2cc3ccsc3n2[C@@H](C)c2ccccc2)C[C@H]1C ZINC000004527394 558653847 /nfs/dbraw/zinc/65/38/47/558653847.db2.gz XYINSWNATDLYHP-SJORKVTESA-N 0 0 409.555 4.395 10 0 HIAERN CCOC(=O)[C@@]1(c2ccccc2)CCC=C[C@H]1NC(=O)OCC(Cl)(Cl)Cl ZINC000065748943 558981632 /nfs/dbraw/zinc/98/16/32/558981632.db2.gz GHYAZUKUMSATHJ-RHSMWYFYSA-N 0 0 420.720 4.303 10 0 in-vitro HIAERN Cc1oc(-c2ccccc2NC(=O)[C@@H]2CCCO2)nc1CNC(=O)CC1=CCCCC1 ZINC000014881587 560892252 /nfs/dbraw/zinc/89/22/52/560892252.db2.gz VQXGNWKWOIZYAC-NRFANRHFSA-N 0 0 423.513 4.274 10 0 HIAERN Cc1c2ccccc2oc1-c1nnc2sc(Cc3ccc4c(c3)OCCO4)nn21 ZINC000096194408 568703906 /nfs/dbraw/zinc/70/39/06/568703906.db2.gz MXHIZQSFPMFEES-UHFFFAOYSA-N 0 0 404.451 4.269 10 0 HIAERN COc1ccc(C2(CNC(=O)c3cc(COc4ccc(C)nc4)on3)CCCC2)cc1 ZINC000015067142 568748959 /nfs/dbraw/zinc/74/89/59/568748959.db2.gz ZGEBWUHJECBTCV-UHFFFAOYSA-N 0 0 421.497 4.207 10 0 HIAERN Cc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NCCC(C)C)cc1 ZINC000021862874 568755528 /nfs/dbraw/zinc/75/55/28/568755528.db2.gz JKALGSQPPRQBQR-DEOSSOPVSA-N 0 0 410.562 4.070 10 0 HIAERN COc1ccc([C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)c3ccccc3C(=O)N2C)cc1 ZINC000003657702 568923047 /nfs/dbraw/zinc/92/30/47/568923047.db2.gz XQOFNSHQYSDYLK-GOTSBHOMSA-N 0 0 416.477 4.253 10 0 HIAERN CC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)c(C)c1)C(C)C ZINC000036049406 569082927 /nfs/dbraw/zinc/08/29/27/569082927.db2.gz VPRAFFMLTMIGMC-UHFFFAOYSA-N 0 0 404.514 4.352 10 0 HIAERN COc1cccc(-c2nc3cnccn3c2NCCC(=O)Nc2cc(F)ccc2C)c1 ZINC000064759179 569090596 /nfs/dbraw/zinc/09/05/96/569090596.db2.gz PFBKFICGODGVDA-UHFFFAOYSA-N 0 0 419.460 4.293 10 0 HIAERN CN(C)c1ccc(NC(=O)c2ccco2)cc1CN(Cc1ccco1)C(=O)C1CC1 ZINC000006722524 569099701 /nfs/dbraw/zinc/09/97/01/569099701.db2.gz GSHAIFORHMCBMS-UHFFFAOYSA-N 0 0 407.470 4.130 10 0 HIAERN CN(C)C(=O)c1ccc2c(c1)nc(CN(C)C(=O)Nc1ccc3ccccc3c1)n2C ZINC000064957055 569134551 /nfs/dbraw/zinc/13/45/51/569134551.db2.gz JKFZUZJZMDEOHN-UHFFFAOYSA-N 0 0 415.497 4.092 10 0 HIAERN COc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)C(C)C)cc2)c(OC)c1 ZINC000006834667 569148693 /nfs/dbraw/zinc/14/86/93/569148693.db2.gz RPHFEXUKDIQFET-NRFANRHFSA-N 0 0 400.500 4.077 10 0 HIAERN CC1=C(C(=O)Nc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)SCCO1 ZINC000006895055 569175169 /nfs/dbraw/zinc/17/51/69/569175169.db2.gz FDMPHCCKKZGZFB-HXUWFJFHSA-N 0 0 408.523 4.427 10 0 HIAERN CCCS(=O)(=O)n1c2ccccc2nc1SCC(=O)c1ccc(Cl)cc1 ZINC000006919031 569181657 /nfs/dbraw/zinc/18/16/57/569181657.db2.gz XDDKLCJHANIZGY-UHFFFAOYSA-N 0 0 408.932 4.253 10 0 HIAERN FC(F)(F)c1n[nH]c(I)c1-c1ccc(Br)cc1 ZINC000675076907 569263026 /nfs/dbraw/zinc/26/30/26/569263026.db2.gz UGXPBXJJEBZIRH-UHFFFAOYSA-N 0 0 416.966 4.463 10 0 HIAERN CC(C)Cn1ccc2cc(NC(=O)N3CCC[C@@H](c4n[nH]cc4C(N)=O)C3)ccc21 ZINC000328607768 569419144 /nfs/dbraw/zinc/41/91/44/569419144.db2.gz XANVDQPYGZOARP-MRXNPFEDSA-N 0 0 408.506 4.315 10 0 HIAERN C[C@@H](NC(=O)c1cn(-c2ncccc2-c2nc(C(C)(C)C)no2)cn1)c1ccccc1 ZINC000071768618 571299940 /nfs/dbraw/zinc/29/99/40/571299940.db2.gz LLHILNUWJKBCQI-OAHLLOKOSA-N 0 0 416.485 4.106 10 0 HIAERN O=C([O-])c1cc(NC(=O)c2cccs2)ccc1N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000046053584 571314297 /nfs/dbraw/zinc/31/42/97/571314297.db2.gz BHMRUCNFPFSHLV-MRXNPFEDSA-N 0 0 413.543 4.011 10 0 HIAERN Cc1ccccc1CNC(=O)C1CCN(C(=O)c2ccnc(-c3ccccc3)c2)CC1 ZINC000021886884 571315122 /nfs/dbraw/zinc/31/51/22/571315122.db2.gz HMRKCCCUZXSTFW-UHFFFAOYSA-N 0 0 413.521 4.226 10 0 HIAERN O=C(CN1c2ccccc2S(=O)(=O)c2ccccc21)Nc1ccc(F)c(Cl)c1 ZINC000009683227 132342475 /nfs/dbraw/zinc/34/24/75/132342475.db2.gz MREJHICLRARKOH-UHFFFAOYSA-N 0 0 416.861 4.402 10 0 HIAERN CCOc1ccccc1N1CCN(C(=O)c2cc(C[C@@H](C)c3ccccc3)no2)CC1 ZINC000011909205 132352083 /nfs/dbraw/zinc/35/20/83/132352083.db2.gz WUUKWJJNWKFVKB-LJQANCHMSA-N 0 0 419.525 4.382 10 0 HIAERN CCCCS(=O)(=O)Nc1cccc(-c2noc(-c3ccc(OCC)cc3)n2)c1 ZINC000032609956 520942984 /nfs/dbraw/zinc/94/29/84/520942984.db2.gz MDQOKSORAPONJH-UHFFFAOYSA-N 0 0 401.488 4.344 10 0 HIAERN CC[C@@H](C(=O)Nc1cc(C)ccc1OC)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944746 521864770 /nfs/dbraw/zinc/86/47/70/521864770.db2.gz PSJCXQRUXFOFMF-HNNXBMFYSA-N 0 0 419.403 4.322 10 0 HIAERN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCN(Cc2ccon2)CC1 ZINC000020535087 527141756 /nfs/dbraw/zinc/14/17/56/527141756.db2.gz XPVVDRXFRILOIH-UHFFFAOYSA-N 0 0 402.454 4.334 10 0 HIAERN Cc1c(CCNC(=O)CC[C@]2(C)CCC(=O)N2)c2ccccc2n1-c1ccccc1 ZINC000014999449 558696990 /nfs/dbraw/zinc/69/69/90/558696990.db2.gz FQWHBJBRDJEJKG-RUZDIDTESA-N 0 0 403.526 4.047 10 0 HIAERN CCn1nc(C)c2ccnc(N3CCC(C(=O)N[C@H](C)c4ccc(C)c(C)c4)CC3)c21 ZINC000033299117 559048402 /nfs/dbraw/zinc/04/84/02/559048402.db2.gz QFAYZZXZAVLBOM-GOSISDBHSA-N 0 0 419.573 4.470 10 0 HIAERN Cc1ccccc1NC(=O)NC(=O)N(C1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000005165314 559278872 /nfs/dbraw/zinc/27/88/72/559278872.db2.gz YTSBBDIAVVAWOZ-UHFFFAOYSA-N 0 0 415.515 4.260 10 0 HIAERN CCOc1ccc(CCNC(=O)[C@H](c2ccccc2)N2Cc3ccccc3C2=O)cc1 ZINC000020531103 560728257 /nfs/dbraw/zinc/72/82/57/560728257.db2.gz LORHVGSXSRWDOJ-DEOSSOPVSA-N 0 0 414.505 4.141 10 0 HIAERN CCCCN(CCc1nc(-c2cccc(OC)c2)no1)C(=O)COCc1ccccc1 ZINC000096278777 568671473 /nfs/dbraw/zinc/67/14/73/568671473.db2.gz MDDUQLLCPULNEL-UHFFFAOYSA-N 0 0 423.513 4.133 10 0 HIAERN Cc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1F ZINC000003023410 568840735 /nfs/dbraw/zinc/84/07/35/568840735.db2.gz OOZNWTVDRFRWTC-UHFFFAOYSA-N 0 0 422.865 4.111 10 0 HIAERN COc1ccc([C@H]2[C@H](C(=O)Nc3cccc(OC)c3)c3ccccc3C(=O)N2C)cc1 ZINC000003657703 568923143 /nfs/dbraw/zinc/92/31/43/568923143.db2.gz XQOFNSHQYSDYLK-PKTZIBPZSA-N 0 0 416.477 4.253 10 0 HIAERN O=C(CCc1ccc(C(F)(F)F)cc1)N1CCC(NC(=O)Oc2ccccc2)CC1 ZINC000084553517 568950993 /nfs/dbraw/zinc/95/09/93/568950993.db2.gz WQEXLTXWGRWETK-UHFFFAOYSA-N 0 0 420.431 4.418 10 0 HIAERN COc1cnc(CSc2ccc(Cl)cc2)cc1OCC(=O)Nc1cc(C)on1 ZINC000015824610 569011361 /nfs/dbraw/zinc/01/13/61/569011361.db2.gz ZNRSLPGDYJRKMJ-UHFFFAOYSA-N 0 0 419.890 4.350 10 0 HIAERN COc1cccc([C@@H]2SCCN2S(=O)(=O)c2ccc3ccccc3c2)c1OC ZINC000035817055 569061444 /nfs/dbraw/zinc/06/14/44/569061444.db2.gz OSPOYVYVKFNFMZ-NRFANRHFSA-N 0 0 415.536 4.293 10 0 HIAERN CC(C)CCNC(=O)[C@@H]1CN(C(=O)CC(C)C)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000036042144 569082392 /nfs/dbraw/zinc/08/23/92/569082392.db2.gz GFCZUCSQEMXXRA-RBUKOAKNSA-N 0 0 412.496 4.456 10 0 HIAERN CCOC(=O)[C@@H]1CCCN(C(=O)c2c(C)c(CC)c(C)n2Cc2ccc(C)cc2)C1 ZINC000006801568 569128775 /nfs/dbraw/zinc/12/87/75/569128775.db2.gz MESVTLDYURMNAB-OAQYLSRUSA-N 0 0 410.558 4.439 10 0 HIAERN COc1ccc(-c2nc(C)cc(C)c2CNS(=O)(=O)Cc2cccc(F)c2)cc1 ZINC000065171484 569188771 /nfs/dbraw/zinc/18/87/71/569188771.db2.gz DSELSWPKWFXDST-UHFFFAOYSA-N 0 0 414.502 4.133 10 0 HIAERN CC(C)Cn1cc(NC(=O)NC2=NN(c3ccccc3)CC2)c2ccccc2c1=O ZINC000007001177 569198806 /nfs/dbraw/zinc/19/88/06/569198806.db2.gz ULXBRKPKWZGCDC-UHFFFAOYSA-N 0 0 403.486 4.003 10 0 HIAERN Cc1cc(NC(=O)c2ccc(Cl)c(N)c2)c(C)cc1I ZINC000226269141 569278925 /nfs/dbraw/zinc/27/89/25/569278925.db2.gz MVBMRTDMZBEOON-UHFFFAOYSA-N 0 0 400.647 4.396 10 0 HIAERN COc1ccc(C(=O)N[C@@H]2C=C[C@@H](c3c(C)nn(-c4ccc(F)cc4)c3C)C2)cc1 ZINC000015673917 291266050 /nfs/dbraw/zinc/26/60/50/291266050.db2.gz JMRYIDACEIISBX-UYAOXDASSA-N 0 0 405.473 4.479 10 0 HIAERN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(Cc3ccc(F)cc3)no2)CC1 ZINC000011840011 132351365 /nfs/dbraw/zinc/35/13/65/132351365.db2.gz RBBZLZVYCMEILL-UHFFFAOYSA-N 0 0 413.880 4.329 10 0 HIAERN CCOc1c(Br)cc(Br)cc1C[NH2+][C@H](CC(C)C)C(=O)[O-] ZINC000043433746 520591103 /nfs/dbraw/zinc/59/11/03/520591103.db2.gz SWYUWLFBXOFORW-CYBMUJFWSA-N 0 0 423.145 4.199 10 0 HIAERN CCCCn1c(CN(C)Cc2cc3ccccc3s2)cnc1S(=O)(=O)CC ZINC000020541428 521361458 /nfs/dbraw/zinc/36/14/58/521361458.db2.gz PAHCOBYSTYKKRN-UHFFFAOYSA-N 0 0 405.589 4.324 10 0 HIAERN COc1ccc(C)cc1-n1c2nnc(SCCC(C)C)n2c2ccccc2c1=O ZINC000031612099 523799790 /nfs/dbraw/zinc/79/97/90/523799790.db2.gz AXWWAIIPQXOSOW-UHFFFAOYSA-N 0 0 408.527 4.489 10 0 HIAERN COc1ccc(CC(=O)Nc2c(C)nn(COc3ccc(F)cc3F)c2C)cc1 ZINC000032610166 523907892 /nfs/dbraw/zinc/90/78/92/523907892.db2.gz LTXRELCJOHKQCP-UHFFFAOYSA-N 0 0 401.413 4.004 10 0 HIAERN COc1cccc(C(=O)Nc2nn(Cc3ccccc3F)cc2Br)c1 ZINC000028305869 525837875 /nfs/dbraw/zinc/83/78/75/525837875.db2.gz PATUCCWPTFXYEX-UHFFFAOYSA-N 0 0 404.239 4.094 10 0 HIAERN Cc1ccc2c(=O)cc(CSc3nnc(COc4cccc(C)c4C)n3C)[nH]c2c1 ZINC000041108692 526118238 /nfs/dbraw/zinc/11/82/38/526118238.db2.gz KATYQEWVWIZWHZ-UHFFFAOYSA-N 0 0 420.538 4.453 10 0 HIAERN O=C(Nc1ccccc1OCc1cc(=O)n2cc(Cl)ccc2n1)C1CCCCC1 ZINC000041086348 527433530 /nfs/dbraw/zinc/43/35/30/527433530.db2.gz PVKWHEXCRGSNAE-UHFFFAOYSA-N 0 0 411.889 4.446 10 0 HIAERN O=c1nc(-c2ccco2)c2nc(N3CCCC3)sc2n1Cc1cccc(Cl)c1 ZINC000032615513 527496020 /nfs/dbraw/zinc/49/60/20/527496020.db2.gz PSCVKPZALYDFPM-UHFFFAOYSA-N 0 0 412.902 4.415 10 0 HIAERN CC(C)[C@H](C(=O)N1CCN(c2nccc(-c3ccco3)n2)CC1)c1ccc(Cl)cc1 ZINC000035800992 535321956 /nfs/dbraw/zinc/32/19/56/535321956.db2.gz JNDRMFSVYDIXPE-NRFANRHFSA-N 0 0 424.932 4.478 10 0 HIAERN Cc1cc(C)nc(N(C#N)CC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)n1 ZINC000001460237 557268499 /nfs/dbraw/zinc/26/84/99/557268499.db2.gz DZTBRHUNVOVOPS-UHFFFAOYSA-N 0 0 424.464 4.342 10 0 HIAERN CCNC(=O)c1csc(-c2ccc(OCc3ccc(F)c(F)c3)c(OC)c2)n1 ZINC000034712460 557392137 /nfs/dbraw/zinc/39/21/37/557392137.db2.gz VJXKCUGHQXKFIC-UHFFFAOYSA-N 0 0 404.438 4.426 10 0 HIAERN Cc1cc([C@H]2CC[C@@H](C(=O)NC3CC3)CN2C(=O)NCc2ccccc2)ccc1F ZINC000034716497 557429964 /nfs/dbraw/zinc/42/99/64/557429964.db2.gz NZSMXGRGDRQNOZ-DENIHFKCSA-N 0 0 409.505 4.076 10 0 HIAERN c1ccc(Oc2nc(N3CCCCC3)nc3c2CN(Cc2cccnc2)CC3)cc1 ZINC000034755974 557458308 /nfs/dbraw/zinc/45/83/08/557458308.db2.gz RIZQMYRTVLVYFS-UHFFFAOYSA-N 0 0 401.514 4.213 10 0 HIAERN CC(C)(C)c1ccc2oc(=O)n(C3CCN(C(=O)c4ccnc(Cl)c4)CC3)c2c1 ZINC000022649073 557606260 /nfs/dbraw/zinc/60/62/60/557606260.db2.gz POALIVXLJUGRDB-UHFFFAOYSA-N 0 0 413.905 4.418 10 0 HIAERN CCn1ccnc1CN1CCC[C@@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000012316519 558379911 /nfs/dbraw/zinc/37/99/11/558379911.db2.gz SBCKLVMLWQHTQF-INIZCTEOSA-N 0 0 404.942 4.196 10 0 HIAERN Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCC4)CC3)cc2)cc1C ZINC000033115414 558761613 /nfs/dbraw/zinc/76/16/13/558761613.db2.gz OSMJGNKCDIHKIL-UHFFFAOYSA-N 0 0 412.555 4.195 10 0 HIAERN COc1ccc(Cn2c3nnc(-c4ccc(Cl)cc4)n3c3ccccc3c2=O)cc1 ZINC000006781221 568459205 /nfs/dbraw/zinc/45/92/05/568459205.db2.gz TUAIGWRNSCAXIN-UHFFFAOYSA-N 0 0 416.868 4.422 10 0 HIAERN O=C(NC[C@H]1Cc2cccc(-c3cncnc3)c2O1)[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000014991307 568718608 /nfs/dbraw/zinc/71/86/08/568718608.db2.gz PRVBRKFBULTYQV-GCJKJVERSA-N 0 0 424.504 4.165 10 0 HIAERN CCC(=O)NCCc1csc(C2CCN(C(=O)Nc3cc(C)cc(C)c3)CC2)n1 ZINC000096372996 568740495 /nfs/dbraw/zinc/74/04/95/568740495.db2.gz DOOJYGDEPOQQJG-UHFFFAOYSA-N 0 0 414.575 4.240 10 0 HIAERN COc1ccccc1CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1cccc(Cl)c1 ZINC000021716589 568750047 /nfs/dbraw/zinc/75/00/47/568750047.db2.gz FOWLOLIDYLGIJO-JOCHJYFZSA-N 0 0 420.896 4.362 10 0 HIAERN Cc1nnc(-c2cc(C3CC3)n(-c3cccc(C(=O)NCCc4cccs4)c3)n2)o1 ZINC000023452744 568826258 /nfs/dbraw/zinc/82/62/58/568826258.db2.gz BUEPEMTZGPQRNY-UHFFFAOYSA-N 0 0 419.510 4.142 10 0 HIAERN COc1cccc(-c2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)C3CC3)no2)c1 ZINC000036012314 569075788 /nfs/dbraw/zinc/07/57/88/569075788.db2.gz XOVLXKVUYGXHKX-UHFFFAOYSA-N 0 0 406.438 4.018 10 0 HIAERN CC(C)N(C)C(=O)[C@@H]1CN(C(=O)c2cccs2)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000036042257 569082418 /nfs/dbraw/zinc/08/24/18/569082418.db2.gz JPZUIWGJIYRMEG-IAGOWNOFSA-N 0 0 424.488 4.490 10 0 HIAERN COc1cc(OC)cc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246300 569116526 /nfs/dbraw/zinc/11/65/26/569116526.db2.gz WMAOOYPUUTUAIQ-UHFFFAOYSA-N 0 0 419.449 4.378 10 0 HIAERN COc1ccc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccccc2C)cc1 ZINC000065075018 569169342 /nfs/dbraw/zinc/16/93/42/569169342.db2.gz IAQGFDJLQAEYRC-SANMLTNESA-N 0 0 414.505 4.282 10 0 HIAERN O=C(NCCc1ccccc1)c1ccc(C[S@@](=O)Cc2cccc(Cl)c2)o1 ZINC000006895892 569175797 /nfs/dbraw/zinc/17/57/97/569175797.db2.gz KDJQSFOYOGMMHO-HHHXNRCGSA-N 0 0 401.915 4.354 10 0 HIAERN Cc1cccc(-c2[nH]c(Cc3cccc(C(N)=O)c3)nc2-c2ccc3nccnc3c2)n1 ZINC000013985930 569258360 /nfs/dbraw/zinc/25/83/60/569258360.db2.gz RYKSGWSKILPDDY-UHFFFAOYSA-N 0 0 420.476 4.080 10 0 in-vivo HIAERN C[C@H](O)c1ccc(NC(=O)c2cc(I)ccc2Cl)cc1 ZINC000226273193 569279037 /nfs/dbraw/zinc/27/90/37/569279037.db2.gz PRTANXQZRZRWPQ-VIFPVBQESA-N 0 0 401.631 4.250 10 0 HIAERN CC(C)(C)CC(=O)N1CCN([C@H](C(=O)Nc2ccc(F)cc2F)C2CCCC2)CC1 ZINC000036312054 571313851 /nfs/dbraw/zinc/31/38/51/571313851.db2.gz FTKLBGWJZRRHBU-NRFANRHFSA-N 0 0 421.532 4.043 10 0 HIAERN Nc1nnc(CCCNC(=O)c2ccccc2SCc2ccc(Cl)cc2)s1 ZINC000020202434 571314630 /nfs/dbraw/zinc/31/46/30/571314630.db2.gz CODWQAYMWZSSFT-UHFFFAOYSA-N 0 0 418.975 4.429 10 0 HIAERN O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(c2nc3ncccc3n3cccc23)C1 ZINC000033018640 132500310 /nfs/dbraw/zinc/50/03/10/132500310.db2.gz VYSOBXAUTFHPPL-QGZVFWFLSA-N 0 0 419.916 4.069 10 0 HIAERN COC(=O)c1cc(OCc2ccccc2)cc(Oc2ccc(S(C)(=O)=O)cc2)c1 ZINC000040435090 521902664 /nfs/dbraw/zinc/90/26/64/521902664.db2.gz SWKWYHIDRFJNOI-UHFFFAOYSA-N 0 0 412.463 4.248 10 0 HIAERN CCn1nc(C(=O)N2CCN([C@H](C)c3ccccc3)CC2)cc1-c1ccc(F)c(F)c1 ZINC000034901932 557481516 /nfs/dbraw/zinc/48/15/16/557481516.db2.gz ZCBNLDFBLQOPMC-QGZVFWFLSA-N 0 0 424.495 4.367 10 0 HIAERN Cc1csc([C@H](C)N(C)C(=O)c2cc(-c3cnn(C)c3)nc3cc(F)ccc32)n1 ZINC000023250365 558545998 /nfs/dbraw/zinc/54/59/98/558545998.db2.gz TYFWHQJRZYZTSC-ZDUSSCGKSA-N 0 0 409.490 4.373 10 0 HIAERN CCN(C(=O)[C@@H](C)n1c2ccccc2nc(C(F)(F)F)c1=O)c1cccc(C)c1 ZINC000033251032 558919358 /nfs/dbraw/zinc/91/93/58/558919358.db2.gz MOLZZEGFHMRVCU-CQSZACIVSA-N 0 0 403.404 4.338 10 0 HIAERN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)COCc3ccccc3)CC2)cc1 ZINC000023307700 559110237 /nfs/dbraw/zinc/11/02/37/559110237.db2.gz DJTCBOVJSCDEEH-MHZLTWQESA-N 0 0 414.549 4.445 10 0 HIAERN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)COCc3ccccc3)CC2)cc1 ZINC000023307702 559110246 /nfs/dbraw/zinc/11/02/46/559110246.db2.gz DJTCBOVJSCDEEH-HHHXNRCGSA-N 0 0 414.549 4.445 10 0 HIAERN CSc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1Br ZINC000097673626 559119547 /nfs/dbraw/zinc/11/95/47/559119547.db2.gz YLFJONXYAJFCAU-UHFFFAOYSA-N 0 0 408.325 4.332 10 0 HIAERN N=C1NC(=O)/C(=C\c2cccc(OCCOc3ccc(Br)cc3)c2)S1 ZINC000033417760 559167711 /nfs/dbraw/zinc/16/77/11/559167711.db2.gz YNVHTCLRRAUSLQ-LFIBNONCSA-N 0 0 419.300 4.046 10 0 HIAERN Cc1ccc(Cn2c3nnc(-c4ccc(F)c(F)c4)n3c3ccccc3c2=O)cc1 ZINC000006781174 568459236 /nfs/dbraw/zinc/45/92/36/568459236.db2.gz XYJRJVRIWRQMBF-UHFFFAOYSA-N 0 0 402.404 4.346 10 0 HIAERN COc1ccccc1CNC(=O)c1c(C)oc2ccn(Cc3ccc(F)cc3)c(=O)c21 ZINC000096396446 568744911 /nfs/dbraw/zinc/74/49/11/568744911.db2.gz WJXSYHWTLJWKSQ-UHFFFAOYSA-N 0 0 420.440 4.029 10 0 HIAERN Cc1nc(-c2ncc(-c3nc4ccc(C)cc4c(C(=O)N(C)C)c3C)cn2)cs1 ZINC000063856004 569031829 /nfs/dbraw/zinc/03/18/29/569031829.db2.gz YEBHIVAJZXJLAC-UHFFFAOYSA-N 0 0 403.511 4.442 10 0 HIAERN CC[C@H](C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000035724398 569053364 /nfs/dbraw/zinc/05/33/64/569053364.db2.gz XCABYOKIEPFHKC-WMLDXEAASA-N 0 0 409.515 4.380 10 0 HIAERN O=C(Nc1cccc(Cl)c1)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1 ZINC000224267738 569056696 /nfs/dbraw/zinc/05/66/96/569056696.db2.gz QNSTWZAKBBHRPY-UHFFFAOYSA-N 0 0 408.893 4.101 10 0 HIAERN CC(C)N(C)C(=O)[C@@H]1CN(C(=O)c2cccs2)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000036042260 569082399 /nfs/dbraw/zinc/08/23/99/569082399.db2.gz JPZUIWGJIYRMEG-DLBZAZTESA-N 0 0 424.488 4.490 10 0 HIAERN Cc1cccc(C)c1NC(=O)COc1nc(C)nc2onc(-c3cccc(F)c3)c21 ZINC000065024832 569155528 /nfs/dbraw/zinc/15/55/28/569155528.db2.gz XVDUZJQEYSGRPR-UHFFFAOYSA-N 0 0 406.417 4.367 10 0 HIAERN COc1cc(-c2nc3cc(N(C)C(=O)C(F)(F)F)cc(C)c3o2)cc(OC)c1OC ZINC000226272239 569279052 /nfs/dbraw/zinc/27/90/52/569279052.db2.gz SNUFXDJDUNSNQG-UHFFFAOYSA-N 0 0 424.375 4.354 10 0 HIAERN Cc1ccc(C(=O)N2CCC(COc3ccccc3C(=O)N3CCCC3)CC2)s1 ZINC000033310365 571309379 /nfs/dbraw/zinc/30/93/79/571309379.db2.gz SJSJPCKEBYDILI-UHFFFAOYSA-N 0 0 412.555 4.224 10 0 HIAERN O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)cc1 ZINC000028527093 132227611 /nfs/dbraw/zinc/22/76/11/132227611.db2.gz AGUZAIMBKPZTGP-UHFFFAOYSA-N 0 0 424.347 4.465 10 0 HIAERN Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2ncnc(N3CCC(C)CC3)c12 ZINC000002924494 132259934 /nfs/dbraw/zinc/25/99/34/132259934.db2.gz HWJXUUMJOXMQQT-UHFFFAOYSA-N 0 0 424.526 4.260 10 0 HIAERN O=C(N[C@@H]1CCCc2ccccc21)[C@@]1(O)c2ccccc2NC(=O)N1c1ccccc1 ZINC000003670145 132268337 /nfs/dbraw/zinc/26/83/37/132268337.db2.gz BYLCPPHWKZBWFF-BWKNWUBXSA-N 0 0 413.477 4.078 10 0 HIAERN C[C@H]1CCCC[C@@H]1NC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000004575626 132279052 /nfs/dbraw/zinc/27/90/52/132279052.db2.gz DIKVPKKFSRNKHD-VELBRHGASA-N 0 0 413.905 4.232 10 0 HIAERN Cc1ccc2nc(N3CCC(C(=O)NC[C@H](C)c4ccccc4)CC3)nc(C)c2c1 ZINC000012166355 132355705 /nfs/dbraw/zinc/35/57/05/132355705.db2.gz NQIJXIWRNBNVDD-SFHVURJKSA-N 0 0 402.542 4.383 10 0 HIAERN CC(=O)Nc1ccc(C(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c(F)c1 ZINC000042980330 519709329 /nfs/dbraw/zinc/70/93/29/519709329.db2.gz IWCUJOBHCRWFMW-UHFFFAOYSA-N 0 0 408.216 4.296 10 0 HIAERN COc1cc(C)ccc1OCCOc1ccc(/C=C2/SC(=N)NC2=O)cc1Cl ZINC000041078038 522279119 /nfs/dbraw/zinc/27/91/19/522279119.db2.gz RORJDMXEPWDTHV-WOJGMQOQSA-N 0 0 418.902 4.253 10 0 HIAERN Cc1cccc(-c2nc3n(c2-c2ccc4nccnc4c2)CCC32CCC(O)CC2)n1 ZINC000043154218 524120328 /nfs/dbraw/zinc/12/03/28/524120328.db2.gz MVNULEWQIUFHAR-UHFFFAOYSA-N 0 0 411.509 4.440 10 0 HIAERN Cc1c2c(N)c(C(=O)c3ccc(F)cc3)sc2nc(N)c1C(=O)Nc1ccccc1 ZINC000040486462 525932440 /nfs/dbraw/zinc/93/24/40/525932440.db2.gz SWGCPRPPQBPIRU-UHFFFAOYSA-N 0 0 420.469 4.392 10 0 HIAERN O=c1nc(-c2cccs2)c2nc(N3CCCC3)sc2n1Cc1cccc(F)c1 ZINC000032615552 527496607 /nfs/dbraw/zinc/49/66/07/527496607.db2.gz DNULMRBWOMNWPD-UHFFFAOYSA-N 0 0 412.515 4.369 10 0 HIAERN Nc1nnc(CCCNC(=O)c2ccccc2SCc2ccccc2Cl)s1 ZINC000020202426 527577797 /nfs/dbraw/zinc/57/77/97/527577797.db2.gz AZFGOESGKPWFBH-UHFFFAOYSA-N 0 0 418.975 4.429 10 0 HIAERN CCc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000004575641 536184098 /nfs/dbraw/zinc/18/40/98/536184098.db2.gz HXNIYSTZWAOFPS-YYKRDJLJSA-N 0 0 421.541 4.387 10 0 HIAERN COc1ccc(CN(CCCn2ccnc2)C(=S)Nc2ccc(C(C)=O)cc2)cc1 ZINC000005917104 557680852 /nfs/dbraw/zinc/68/08/52/557680852.db2.gz FFWZAZYSQAJNEZ-UHFFFAOYSA-N 0 0 422.554 4.384 10 0 HIAERN Cc1c(C(=O)NCc2cccc(Cl)c2)sc2ncnc(NC[C@H]3CCCO3)c12 ZINC000012030078 558311009 /nfs/dbraw/zinc/31/10/09/558311009.db2.gz HSIBVILSYAANQC-OAHLLOKOSA-N 0 0 416.934 4.174 10 0 HIAERN CSc1nnc(CNC(=O)c2cccc3c(C)c(C)[nH]c32)n1-c1ccccc1C ZINC000012132543 558333300 /nfs/dbraw/zinc/33/33/00/558333300.db2.gz KUIRQDHMQVDVCO-UHFFFAOYSA-N 0 0 405.527 4.326 10 0 HIAERN CCn1ncc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)c1C ZINC000012320700 558382602 /nfs/dbraw/zinc/38/26/02/558382602.db2.gz RDOGDCWLHPYONN-JOCHJYFZSA-N 0 0 419.529 4.392 10 0 HIAERN COc1ccc(-c2ccnc(-n3ncc(C(=O)N(C)CC(C)C)c3C3CC3)n2)cc1F ZINC000014989190 558693741 /nfs/dbraw/zinc/69/37/41/558693741.db2.gz MHRMFIMKHMJQGC-UHFFFAOYSA-N 0 0 423.492 4.082 10 0 HIAERN O=C(Nc1ccccc1)Nc1ccc2c(c1)C[C@H](C(=O)NCc1ccc(F)cc1)CO2 ZINC000033121661 558878610 /nfs/dbraw/zinc/87/86/10/558878610.db2.gz XABHPIPTGVXUEV-SFHVURJKSA-N 0 0 419.456 4.337 10 0 HIAERN O=C(CCN1C(=O)S/C(=C/c2ccccc2)C1=O)N1CCCC[C@@H]1c1cccnc1 ZINC000033543340 559209391 /nfs/dbraw/zinc/20/93/91/559209391.db2.gz NQXVAAVYBPPKFT-NGYXKBBWSA-N 0 0 421.522 4.262 10 0 HIAERN Cc1cnc(SCc2ccccn2)nc1[C@@H]1CCCN(C(=O)CCc2ccco2)C1 ZINC000012158983 560890412 /nfs/dbraw/zinc/89/04/12/560890412.db2.gz FKCAVHDNGZPPNE-GOSISDBHSA-N 0 0 422.554 4.404 10 0 HIAERN Cc1cc(-c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)s2)n[nH]1 ZINC000020991929 568655986 /nfs/dbraw/zinc/65/59/86/568655986.db2.gz ZMVLRIFGSDHFTL-UHFFFAOYSA-N 0 0 401.557 4.090 10 0 HIAERN O=C(NCc1nc2ccccc2c(NCCCc2ccccc2)n1)c1cscn1 ZINC000014989520 568718218 /nfs/dbraw/zinc/71/82/18/568718218.db2.gz OUUYJDYQLQCWHM-UHFFFAOYSA-N 0 0 403.511 4.061 10 0 HIAERN CCOC(=O)c1ccc(NC(=O)c2sc3ncnc(N4CCCC4)c3c2C)cc1 ZINC000021717148 568749974 /nfs/dbraw/zinc/74/99/74/568749974.db2.gz OWYRMZSFITVKDC-UHFFFAOYSA-N 0 0 410.499 4.029 10 0 HIAERN CCOC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000003028351 568842123 /nfs/dbraw/zinc/84/21/23/568842123.db2.gz MUCOZQCVEJFHMQ-UHFFFAOYSA-N 0 0 423.962 4.392 10 0 HIAERN CCCC1=Nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2Sc2ccccc21 ZINC000004930497 568948749 /nfs/dbraw/zinc/94/87/49/568948749.db2.gz LIRCXZFVJTWOOK-UHFFFAOYSA-N 0 0 407.539 4.410 10 0 HIAERN CCOc1ccc2nc(N3CCC[C@H](C(=O)N4C[C@H](C)C[C@H](C)C4)C3)sc2c1 ZINC000005106515 568979228 /nfs/dbraw/zinc/97/92/28/568979228.db2.gz YBFKXHBXKSXCTD-BBWFWOEESA-N 0 0 401.576 4.416 10 0 HIAERN COc1ccc(C(=O)N2CC(C)(C)S[C@@]23C(=O)Nc2ccc(Cl)cc23)cc1 ZINC000036153398 569101336 /nfs/dbraw/zinc/10/13/36/569101336.db2.gz OARFDKGHGLCYPB-FQEVSTJZSA-N 0 0 402.903 4.121 10 0 HIAERN CC[C@@H](C)N(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C(=O)C(C)C ZINC000036313217 569132991 /nfs/dbraw/zinc/13/29/91/569132991.db2.gz ZZTKIKQWCAKCEN-MRXNPFEDSA-N 0 0 403.498 4.100 10 0 HIAERN CCCN(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C(=O)C1CCCC1 ZINC000036313275 569133354 /nfs/dbraw/zinc/13/33/54/569133354.db2.gz YRGNLPSKMFUPNE-UHFFFAOYSA-N 0 0 415.509 4.246 10 0 HIAERN CCCOc1ccc([C@@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2CCC)cc1OC ZINC000004672812 569255545 /nfs/dbraw/zinc/25/55/45/569255545.db2.gz FSHMUEWAIABKGM-MCSCQSGASA-N 0 0 416.562 4.185 10 0 HIAERN CC(C)C[C@@H](CO)Nc1nc(S[C@H](C)c2ccccc2)nc2nc(N)sc21 ZINC000207097738 571309001 /nfs/dbraw/zinc/30/90/01/571309001.db2.gz ZMQSLMZOWVGBSM-OCCSQVGLSA-N 0 0 403.577 4.341 10 0 HIAERN O=C(c1ccccc1)N1CCC[C@H](COc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000033311253 571309345 /nfs/dbraw/zinc/30/93/45/571309345.db2.gz YNSSGDFDGGNQQF-FQEVSTJZSA-N 0 0 406.526 4.244 10 0 HIAERN Cc1nn(Cc2cccc(C(=O)N3CCN(c4ccccc4)CC3)c2)c(C)c1Cl ZINC000002746890 132257539 /nfs/dbraw/zinc/25/75/39/132257539.db2.gz CGVCDQKCWMTRIM-UHFFFAOYSA-N 0 0 408.933 4.164 10 0 HIAERN O=C(N[C@@H]1CCCc2ccccc21)[C@]1(O)c2ccccc2NC(=O)N1c1ccccc1 ZINC000003670144 132268387 /nfs/dbraw/zinc/26/83/87/132268387.db2.gz BYLCPPHWKZBWFF-PXDATVDWSA-N 0 0 413.477 4.078 10 0 HIAERN CCOc1c(Br)cc(Br)cc1C[NH2+][C@@H](CC(C)C)C(=O)[O-] ZINC000043433744 520591926 /nfs/dbraw/zinc/59/19/26/520591926.db2.gz SWYUWLFBXOFORW-ZDUSSCGKSA-N 0 0 423.145 4.199 10 0 HIAERN CC[C@H](C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccccc3C)cc2)CCC1 ZINC000040454925 523964195 /nfs/dbraw/zinc/96/41/95/523964195.db2.gz GGHOQIWQAVQLRZ-KRWDZBQOSA-N 0 0 400.544 4.132 10 0 HIAERN COc1ccc(NC(=O)C2CCC2)cc1N1CCCN(Cc2ccccc2F)C1=O ZINC000040425794 524471989 /nfs/dbraw/zinc/47/19/89/524471989.db2.gz KKDMPOONVBRUFF-UHFFFAOYSA-N 0 0 411.477 4.405 10 0 HIAERN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccco2)cc1)NCC1CC1 ZINC000034679922 557360887 /nfs/dbraw/zinc/36/08/87/557360887.db2.gz DDTKSZSAQBMQBT-UHFFFAOYSA-N 0 0 406.457 4.334 10 0 HIAERN O=C(c1cccs1)N1CCc2nc(N3CCCC3)nc(Oc3ccccc3F)c2C1 ZINC000034757915 557459454 /nfs/dbraw/zinc/45/94/54/557459454.db2.gz REQJZUJZJGOGHY-UHFFFAOYSA-N 0 0 424.501 4.268 10 0 HIAERN COc1ccc(CC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000005383719 557649963 /nfs/dbraw/zinc/64/99/63/557649963.db2.gz ACJCKOSUHVHLJO-CQSZACIVSA-N 0 0 400.544 4.188 10 0 HIAERN FC(F)(F)c1cccc(Cc2noc(CN3CCC(Oc4cccnc4)CC3)n2)c1 ZINC000012318739 558381500 /nfs/dbraw/zinc/38/15/00/558381500.db2.gz CIDVYENYGPVCJH-UHFFFAOYSA-N 0 0 418.419 4.118 10 0 HIAERN CSc1ccccc1N1C(=O)[C@@H]2C[C@H]1CN2Cc1ccc(OC(F)(F)F)cc1 ZINC000014986202 558692780 /nfs/dbraw/zinc/69/27/80/558692780.db2.gz AVLMBCNXUQGMAC-YOEHRIQHSA-N 0 0 408.445 4.297 10 0 HIAERN CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2)nc2nc(N)sc21 ZINC000043132600 558832181 /nfs/dbraw/zinc/83/21/81/558832181.db2.gz ZMQSLMZOWVGBSM-GXTWGEPZSA-N 0 0 403.577 4.341 10 0 HIAERN O=C(c1cc2ccccc2[nH]c1=O)N1CCCC[C@@H]1c1nnc(-c2ccccc2F)o1 ZINC000583621920 560777173 /nfs/dbraw/zinc/77/71/73/560777173.db2.gz SOWLEKUPPDEYFB-LJQANCHMSA-N 0 0 418.428 4.497 10 0 HIAERN CCc1ccccc1NC(=O)[C@@H](CC)n1nc(C)n2c(cc3cc(C)ccc32)c1=O ZINC000006803373 568459812 /nfs/dbraw/zinc/45/98/12/568459812.db2.gz AIZKABSCNWIGRP-HXUWFJFHSA-N 0 0 402.498 4.418 10 0 HIAERN CCc1ccccc1NC(=O)[C@H](CC)n1nc(C)n2c(cc3cc(C)ccc32)c1=O ZINC000006803375 568459814 /nfs/dbraw/zinc/45/98/14/568459814.db2.gz AIZKABSCNWIGRP-FQEVSTJZSA-N 0 0 402.498 4.418 10 0 HIAERN O=C(NC1CCCCC1)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1 ZINC000033258244 568512802 /nfs/dbraw/zinc/51/28/02/568512802.db2.gz ZLSQEPHLRLYGAN-UHFFFAOYSA-N 0 0 409.534 4.168 10 0 HIAERN CNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccc(F)cc2)cc1 ZINC000020532329 568628156 /nfs/dbraw/zinc/62/81/56/568628156.db2.gz MGCWVCLOFUVQKD-UHFFFAOYSA-N 0 0 406.486 4.271 10 0 HIAERN CCCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)C1 ZINC000021709426 568748161 /nfs/dbraw/zinc/74/81/61/568748161.db2.gz JGNPBJUAKDRNKH-NRFANRHFSA-N 0 0 421.541 4.016 10 0 HIAERN COc1cc(-c2cc(CN(Cc3ccco3)C(=O)C(C)C)no2)cc(OC)c1OC ZINC000036012013 569075719 /nfs/dbraw/zinc/07/57/19/569075719.db2.gz RNSPFAIERREYQO-UHFFFAOYSA-N 0 0 414.458 4.145 10 0 HIAERN COc1ccc(CN(C(=O)C2CCCC2)C(C)C)cc1OCc1nc(CO)cs1 ZINC000036094307 569089573 /nfs/dbraw/zinc/08/95/73/569089573.db2.gz XNUSKLRVHPCGNH-UHFFFAOYSA-N 0 0 418.559 4.150 10 0 HIAERN O=S(=O)(c1cccc(F)c1)N(Cc1cccc(F)c1)c1ccc2c(c1)OCO2 ZINC000036248256 569117342 /nfs/dbraw/zinc/11/73/42/569117342.db2.gz CFMYFSNOAIBOFQ-UHFFFAOYSA-N 0 0 403.406 4.089 10 0 HIAERN CCOc1ccc2c(c1)[C@@H](OC(=O)c1cn(C)c(=O)c3ccccc13)CC(C)(C)O2 ZINC000064977244 569139999 /nfs/dbraw/zinc/13/99/99/569139999.db2.gz QKBRLYXYFVLIAS-NRFANRHFSA-N 0 0 407.466 4.396 10 0 HIAERN Cc1cccc(NC(=O)c2ccccc2NC(=O)CCS(=O)(=O)c2ccccc2)c1 ZINC000009882782 569251388 /nfs/dbraw/zinc/25/13/88/569251388.db2.gz OTOKSCMUFYQGNV-UHFFFAOYSA-N 0 0 422.506 4.050 10 0 HIAERN CCCOc1ccc([C@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2CCC)cc1OC ZINC000004672813 569255569 /nfs/dbraw/zinc/25/55/69/569255569.db2.gz FSHMUEWAIABKGM-WFHLNLCJSA-N 0 0 416.562 4.185 10 0 HIAERN Nc1ccc(N2CCCCC2)c(NC(=O)c2ccccc2I)c1 ZINC000226259213 569278601 /nfs/dbraw/zinc/27/86/01/569278601.db2.gz CUEDQKAUOMKORD-UHFFFAOYSA-N 0 0 421.282 4.116 10 0 HIAERN COc1ccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccc(O)cc2)C3)cc1OC ZINC000055131731 569390270 /nfs/dbraw/zinc/39/02/70/569390270.db2.gz UBZQZQVAARFYRS-UHFFFAOYSA-N 0 0 421.493 4.480 10 0 HIAERN COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@@H](C)[C@@H](C)C2=O ZINC000014692488 291265363 /nfs/dbraw/zinc/26/53/63/291265363.db2.gz IGSKKMAOJMXOII-VXGBXAGGSA-N 0 0 414.454 4.128 10 0 HIAERN O=C(N[C@H]1CCCc2ccccc21)[C@@]1(O)c2ccccc2NC(=O)N1c1ccccc1 ZINC000003670143 132268381 /nfs/dbraw/zinc/26/83/81/132268381.db2.gz BYLCPPHWKZBWFF-OFVILXPXSA-N 0 0 413.477 4.078 10 0 HIAERN Cc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)cc1C ZINC000004575646 132279047 /nfs/dbraw/zinc/27/90/47/132279047.db2.gz UMRYMGLLFZSQLW-OQVBRWGRSA-N 0 0 421.541 4.442 10 0 HIAERN Cc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1C ZINC000004575644 132279056 /nfs/dbraw/zinc/27/90/56/132279056.db2.gz UMRYMGLLFZSQLW-LRSJILKTSA-N 0 0 421.541 4.442 10 0 HIAERN CCc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000004575638 132279080 /nfs/dbraw/zinc/27/90/80/132279080.db2.gz HXNIYSTZWAOFPS-MPSIIDQTSA-N 0 0 421.541 4.387 10 0 HIAERN CCC(=O)N(CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1Cl)C(C)(C)C ZINC000040388305 521085321 /nfs/dbraw/zinc/08/53/21/521085321.db2.gz FCKGEOHWYPGBEO-NRFANRHFSA-N 0 0 401.938 4.110 10 0 HIAERN CCc1ccc(-c2nc(=O)n(CC(=O)Nc3cccc(F)c3)c3sc(C)nc32)cc1 ZINC000032641639 523859897 /nfs/dbraw/zinc/85/98/97/523859897.db2.gz FDCMAPWPPLZMNS-UHFFFAOYSA-N 0 0 422.485 4.169 10 0 HIAERN COc1ccc(OC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000041077663 524781899 /nfs/dbraw/zinc/78/18/99/524781899.db2.gz AZPRTCXGHXNRAU-UHFFFAOYSA-N 0 0 421.272 4.205 10 0 HIAERN CCc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000004575637 536184444 /nfs/dbraw/zinc/18/44/44/536184444.db2.gz HXNIYSTZWAOFPS-STSPMOIFSA-N 0 0 421.541 4.387 10 0 HIAERN O=C(NN1C(=O)c2ccccc2N[C@@H]1c1ccccc1)c1ccc(Br)cc1 ZINC000001438629 557263239 /nfs/dbraw/zinc/26/32/39/557263239.db2.gz HQADZWJIQXNICD-IBGZPJMESA-N 0 0 422.282 4.361 10 0 HIAERN O=C(c1ccc(Cl)cc1)N1CCSc2nnc(COc3cccc(Cl)c3)n21 ZINC000034812355 557464742 /nfs/dbraw/zinc/46/47/42/557464742.db2.gz AWPIXEWQJZJTRM-UHFFFAOYSA-N 0 0 421.309 4.048 10 0 HIAERN COCCCNC(=O)c1cc(NC(=O)/C=C/c2ccccc2)ccc1N1CCCCC1 ZINC000004367282 558462044 /nfs/dbraw/zinc/46/20/44/558462044.db2.gz JCVSVSDYTPYPOZ-SDNWHVSQSA-N 0 0 421.541 4.095 10 0 HIAERN C[C@@H]1S[C@]2(c3ccccc3N(CN3CCC(C)CC3)C2=O)N(c2ccccc2)C1=O ZINC000016609269 558796629 /nfs/dbraw/zinc/79/66/29/558796629.db2.gz UTCRHBORNRXUAI-UUOWRZLLSA-N 0 0 421.566 4.044 10 0 HIAERN Cc1oc(-c2ccccc2)nc1Cn1nnc(-c2nc(-c3cccs3)no2)c1C ZINC000033170785 558903977 /nfs/dbraw/zinc/90/39/77/558903977.db2.gz VFQHJEVHCJRZFJ-UHFFFAOYSA-N 0 0 404.455 4.377 10 0 HIAERN COc1c(C)cnc(C[S@@](=O)c2nc3cc(OCc4ccccc4)ccc3[nH]2)c1C ZINC000022051305 558985815 /nfs/dbraw/zinc/98/58/15/558985815.db2.gz ZUFHBARHZCYCPS-PMERELPUSA-N 0 0 421.522 4.470 10 0 in-vitro HIAERN CCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)CCC1 ZINC000033277565 559040996 /nfs/dbraw/zinc/04/09/96/559040996.db2.gz ZVNTYKSDIZFICN-UHFFFAOYSA-N 0 0 400.544 4.052 10 0 HIAERN COc1ccc(N2Cc3cccc(C(=O)N[C@H](C)CCc4ccco4)c3C2=O)cc1 ZINC000005006056 559227204 /nfs/dbraw/zinc/22/72/04/559227204.db2.gz RRAHONTZUQKQPP-MRXNPFEDSA-N 0 0 404.466 4.200 10 0 HIAERN Cc1oc(-c2ccccc2NC(=O)[C@H]2CCCO2)nc1CNC(=O)CC1=CCCCC1 ZINC000014881588 560892410 /nfs/dbraw/zinc/89/24/10/560892410.db2.gz VQXGNWKWOIZYAC-OAQYLSRUSA-N 0 0 423.513 4.274 10 0 HIAERN O=S(=O)(Cc1ccc(Cl)cc1)c1nc2ccccc2nc1NCc1ccco1 ZINC000033114412 568416644 /nfs/dbraw/zinc/41/66/44/568416644.db2.gz YUTBRTVCZMKIFZ-UHFFFAOYSA-N 0 0 413.886 4.462 10 0 HIAERN CCc1nn(CC(=O)Nc2ccc(C)cc2Cl)c(=O)c2cc3cc(C)ccc3n21 ZINC000006803425 568459908 /nfs/dbraw/zinc/45/99/08/568459908.db2.gz BUVYKGCMNFXIGG-UHFFFAOYSA-N 0 0 408.889 4.121 10 0 HIAERN COc1ccc(C)cc1NC(=O)N1CC[C@H](Cc2nc3cccnc3n2C(C)C)C1 ZINC000096124971 568639194 /nfs/dbraw/zinc/63/91/94/568639194.db2.gz SGSUOOSZZLQBDW-QGZVFWFLSA-N 0 0 407.518 4.426 10 0 HIAERN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)c2ocnc2C)C3)c1 ZINC000015001796 568729531 /nfs/dbraw/zinc/72/95/31/568729531.db2.gz FAMORTVEPJABMM-QGZVFWFLSA-N 0 0 408.429 4.034 10 0 HIAERN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCC(C)CC4)cc3n2)cc1 ZINC000003629324 568735757 /nfs/dbraw/zinc/73/57/57/568735757.db2.gz QTNZRIRDNUPBPH-UHFFFAOYSA-N 0 0 418.419 4.296 10 0 HIAERN CCCCn1ccnc1C(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000003287449 568852307 /nfs/dbraw/zinc/85/23/07/568852307.db2.gz BEMGGMHRNBEBHI-KRWDZBQOSA-N 0 0 423.538 4.054 10 0 HIAERN Cc1ccc(S(=O)(=O)C2C(=O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000064558264 569066906 /nfs/dbraw/zinc/06/69/06/569066906.db2.gz GKOKFBCYHYOZGN-OAQYLSRUSA-N 0 0 419.502 4.322 10 0 HIAERN Cc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000064558477 569066936 /nfs/dbraw/zinc/06/69/36/569066936.db2.gz WRKSRDBVJPKGSC-FQEVSTJZSA-N 0 0 423.490 4.223 10 0 HIAERN O=C(NCCc1ccccc1)c1ccc(C[S@](=O)Cc2cccc(Cl)c2)o1 ZINC000006895893 569175758 /nfs/dbraw/zinc/17/57/58/569175758.db2.gz KDJQSFOYOGMMHO-MHZLTWQESA-N 0 0 401.915 4.354 10 0 HIAERN FC(F)(F)c1n[nH]c(I)c1-c1cccc(Br)c1 ZINC000675076732 569263084 /nfs/dbraw/zinc/26/30/84/569263084.db2.gz QFPJNKCYZNGQFG-UHFFFAOYSA-N 0 0 416.966 4.463 10 0 HIAERN COc1ccc(C)cc1N1CCN(C(=O)c2ccc(Cl)cc2Cl)[C@H](C)C1=O ZINC000037520499 571314028 /nfs/dbraw/zinc/31/40/28/571314028.db2.gz XLXGGWWWOKPBKN-CYBMUJFWSA-N 0 0 407.297 4.188 10 0 HIAERN c1ccc2nc(COc3ccc(OCc4ccccc4Cc4nn[nH]n4)cc3)ccc2c1 ZINC000003782943 571316267 /nfs/dbraw/zinc/31/62/67/571316267.db2.gz JELDFLOBXROBFH-UHFFFAOYSA-N 0 0 423.476 4.497 10 0 HIAERN Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)N4CCOCC4)C=C3C)nc21 ZINC000072320967 291262207 /nfs/dbraw/zinc/26/22/07/291262207.db2.gz LCNKHXFVHFOBSN-ACRUOGEOSA-N 0 0 424.589 4.310 10 0 HIAERN Cc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)N2C[C@H](C)C[C@H](C)C2)cc1C ZINC000009546132 132340974 /nfs/dbraw/zinc/34/09/74/132340974.db2.gz UMOAJAWPEAZTLM-JRLRZGBRSA-N 0 0 407.514 4.005 10 0 HIAERN Cc1ccc2c(C)nc(N3CCC(C(=O)N[C@@H](C)Cc4cccs4)CC3)nc2c1 ZINC000012212632 132356772 /nfs/dbraw/zinc/35/67/72/132356772.db2.gz XADDKNIMHJSMIO-INIZCTEOSA-N 0 0 408.571 4.272 10 0 HIAERN O=C(c1ccc(COc2ccc3c(c2)CCC3)o1)N1CCN(c2ccccc2F)CC1 ZINC000027983261 132492296 /nfs/dbraw/zinc/49/22/96/132492296.db2.gz WHYYVJGSIMIZOA-UHFFFAOYSA-N 0 0 420.484 4.449 10 0 HIAERN CCOc1ccc(NC(=O)Cn2nc(Cc3ccccc3)c3ccccc3c2=O)cc1 ZINC000032647215 521077588 /nfs/dbraw/zinc/07/75/88/521077588.db2.gz WPWBUTHHQGXANJ-UHFFFAOYSA-N 0 0 413.477 4.025 10 0 HIAERN COc1cc(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)CC(C)C)cc(OC)c1 ZINC000041076977 522681043 /nfs/dbraw/zinc/68/10/43/522681043.db2.gz PIMVQQYJQAJDSF-UHFFFAOYSA-N 0 0 409.486 4.235 10 0 HIAERN COc1ccc(-c2nnn(CSC)c2C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000032611877 523270286 /nfs/dbraw/zinc/27/02/86/523270286.db2.gz RTSGPPZBVDRRHJ-UHFFFAOYSA-N 0 0 402.907 4.488 10 0 HIAERN Cc1ccc(C)c(NC(=O)CSc2nnnn2-c2cccc(C(F)(F)F)c2)c1 ZINC000041124433 524139388 /nfs/dbraw/zinc/13/93/88/524139388.db2.gz XILJVIPGNXYXAI-UHFFFAOYSA-N 0 0 407.421 4.029 10 0 HIAERN O=C([C@@H]1CCCN(c2nccc3sccc32)C1)N1CCN(c2ccccc2F)CC1 ZINC000033299691 526471284 /nfs/dbraw/zinc/47/12/84/526471284.db2.gz HVYUAMROEVDEIZ-QGZVFWFLSA-N 0 0 424.545 4.001 10 0 HIAERN CCNC(=O)N1CCN(C2=Nc3ccc(C(F)(F)F)cc3Oc3ccccc32)CC1 ZINC000034813986 557465643 /nfs/dbraw/zinc/46/56/43/557465643.db2.gz UTXXGSGALSHFJI-UHFFFAOYSA-N 0 0 418.419 4.237 10 0 HIAERN COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)C1CC1)N(Cc1ccc(C)cc1)CC2 ZINC000034855569 557476965 /nfs/dbraw/zinc/47/69/65/557476965.db2.gz FYWWXFUVMITIEU-MZNJEOGPSA-N 0 0 408.542 4.026 10 0 HIAERN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@@H]1CC(=O)N(Cc2ccccc2F)C1 ZINC000034918203 557483088 /nfs/dbraw/zinc/48/30/88/557483088.db2.gz MBAWLZDRJCTMOK-VWNXMTODSA-N 0 0 416.496 4.274 10 0 HIAERN CCOc1ccccc1C(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1 ZINC000008186892 557774760 /nfs/dbraw/zinc/77/47/60/557774760.db2.gz BYRAFLVSMWCMJH-UHFFFAOYSA-N 0 0 402.406 4.014 10 0 HIAERN CC(C)(C)OC(=O)n1c(Br)cc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000095942479 559089337 /nfs/dbraw/zinc/08/93/37/559089337.db2.gz OMBHTIXAJYMFNY-UHFFFAOYSA-N 0 0 401.301 4.327 10 0 HIAERN CC1=C(C(=O)OC(C)C)[C@H](c2cccc(NC(=O)CC(C)(C)C)c2)NC(=S)N1C ZINC000004926416 559207829 /nfs/dbraw/zinc/20/78/29/559207829.db2.gz YJLSNHLAHXTUOP-IBGZPJMESA-N 0 0 417.575 4.148 10 0 HIAERN O=S(=O)(Oc1ccc2ccccc2c1)c1ccc(I)cc1 ZINC000226855264 559274144 /nfs/dbraw/zinc/27/41/44/559274144.db2.gz AVVSMVRWIBZVQG-UHFFFAOYSA-N 0 0 410.232 4.212 10 0 HIAERN COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)Cc2ccncn2)cc1F ZINC000055576061 568779799 /nfs/dbraw/zinc/77/97/99/568779799.db2.gz JSJTVFYIKIDFCG-UHFFFAOYSA-N 0 0 417.488 4.417 10 0 HIAERN COC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc(C)c1-c1ccc(Br)cc1 ZINC000028284572 568783925 /nfs/dbraw/zinc/78/39/25/568783925.db2.gz WHMNKWQSAWCLJU-ZDUSSCGKSA-N 0 0 424.316 4.390 10 0 HIAERN COc1ccccc1OCc1csc(NC(=O)c2cc(=O)c3ccccc3o2)n1 ZINC000003312709 568878638 /nfs/dbraw/zinc/87/86/38/568878638.db2.gz QJYBJRBVFSXRAS-UHFFFAOYSA-N 0 0 408.435 4.089 10 0 HIAERN Cc1cccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc5c(c4)OCO5)C3)nn2)c1 ZINC000035398235 569035077 /nfs/dbraw/zinc/03/50/77/569035077.db2.gz OYXYORAQVXKKKW-GOSISDBHSA-N 0 0 416.481 4.036 10 0 HIAERN Cc1cc(C)cc(NC(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)c1 ZINC000224269737 569056694 /nfs/dbraw/zinc/05/66/94/569056694.db2.gz QFLKEBGFIMSYSA-UHFFFAOYSA-N 0 0 402.502 4.064 10 0 HIAERN CC(C)N(C)C(=O)[C@H]1CN(C(=O)c2cccs2)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000036042261 569082403 /nfs/dbraw/zinc/08/24/03/569082403.db2.gz JPZUIWGJIYRMEG-IRXDYDNUSA-N 0 0 424.488 4.490 10 0 HIAERN Cc1ccc(CC(=O)N2CCC(COc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1 ZINC000065179828 569190548 /nfs/dbraw/zinc/19/05/48/569190548.db2.gz PQIFMLHSXACJOD-UHFFFAOYSA-N 0 0 420.553 4.091 10 0 HIAERN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(N)cc2Br)cc1 ZINC000226238213 569278676 /nfs/dbraw/zinc/27/86/76/569278676.db2.gz XBLJLGIYPMZMAH-UHFFFAOYSA-N 0 0 406.349 4.456 10 0 HIAERN COc1cc(-c2nc3cc(N(C)C(=O)C(F)(F)F)ccc3o2)cc(OC)c1OC ZINC000226272247 569279056 /nfs/dbraw/zinc/27/90/56/569279056.db2.gz JXTSAOCZOXNSPP-UHFFFAOYSA-N 0 0 410.348 4.046 10 0 HIAERN CC[C@@H](C(=O)N1CCOCC1)N(c1nc(C(C)(C)C)cs1)c1ccc(OC)cc1 ZINC000037439368 569299528 /nfs/dbraw/zinc/29/95/28/569299528.db2.gz LAJBJRHKKZESRX-SFHVURJKSA-N 0 0 417.575 4.225 10 0 HIAERN COCCCNC(=O)C1(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CCC1 ZINC000013350822 569411181 /nfs/dbraw/zinc/41/11/81/569411181.db2.gz IXMGQCMWIWQCEN-UHFFFAOYSA-N 0 0 400.906 4.167 10 0 HIAERN CCn1c(-c2ccc(OC)c(OC)c2)c/c(=N\c2c(C)cc(C)cc2C)n(C)c1=O ZINC000013883218 569413975 /nfs/dbraw/zinc/41/39/75/569413975.db2.gz OYGHXRNCHYRYRR-YYDJUVGSSA-N 0 0 407.514 4.049 10 0 HIAERN CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)N(c2ccccc2)c2ccccc2)C1 ZINC000328607897 569419253 /nfs/dbraw/zinc/41/92/53/569419253.db2.gz XFCVYXWIIGCCDN-GOSISDBHSA-N 0 0 417.513 4.249 10 0 HIAERN Cc1cccc(-c2ncc(C(=O)NC[C@H]3CCCO3)c(N(C)c3ccccc3)n2)c1 ZINC000035988754 571313933 /nfs/dbraw/zinc/31/39/33/571313933.db2.gz FGRKVMJNSSHLDW-HXUWFJFHSA-N 0 0 402.498 4.129 10 0 HIAERN O=C(CN1C(=O)CCc2cc(Br)ccc21)Nc1cccc2c1CCCC2 ZINC000015785410 132462760 /nfs/dbraw/zinc/46/27/60/132462760.db2.gz HESVCBVTZANOEA-UHFFFAOYSA-N 0 0 413.315 4.246 10 0 HIAERN CCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1F)C(=O)c1ccc(C)cc1 ZINC000006775423 520320848 /nfs/dbraw/zinc/32/08/48/520320848.db2.gz FRQLQJRPZLGKQM-DEOSSOPVSA-N 0 0 419.500 4.030 10 0 HIAERN CCOc1ccc(NC(=O)[C@H]2CCCN(c3nc(C)nc4oc(C)c(C)c43)C2)cc1 ZINC000032960264 521110257 /nfs/dbraw/zinc/11/02/57/521110257.db2.gz YGAHELCUSAVEMR-KRWDZBQOSA-N 0 0 408.502 4.402 10 0 HIAERN CCOc1ccccc1C(=O)Nc1nn(Cc2ccccc2F)cc1Br ZINC000032609643 521462750 /nfs/dbraw/zinc/46/27/50/521462750.db2.gz SYJMFSOPGNCNFH-UHFFFAOYSA-N 0 0 418.266 4.484 10 0 HIAERN Cc1ccc(F)c(CC(=O)N2CCO[C@H](COc3ccc4c(c3)CCCC4)C2)c1F ZINC000022633006 557299187 /nfs/dbraw/zinc/29/91/87/557299187.db2.gz YFMDMVCWYMQNBA-FQEVSTJZSA-N 0 0 415.480 4.001 10 0 HIAERN Cc1ccccc1NC(=O)C(C(=O)Nc1ccccc1C)C(=O)Nc1ccccc1C ZINC000003147437 557451324 /nfs/dbraw/zinc/45/13/24/557451324.db2.gz OBOOBUSGNSPJFU-UHFFFAOYSA-N 0 0 415.493 4.444 10 0 HIAERN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2F)C1 ZINC000034918207 557483067 /nfs/dbraw/zinc/48/30/67/557483067.db2.gz MBAWLZDRJCTMOK-UPVQGACJSA-N 0 0 416.496 4.274 10 0 HIAERN Cc1noc(C)c1CC(=O)NC[C@H]1Cc2c(ccc3cc(-c4cccnc4)ccc23)O1 ZINC000011913080 559267060 /nfs/dbraw/zinc/26/70/60/559267060.db2.gz NOBUJNBJNRAKSA-HXUWFJFHSA-N 0 0 413.477 4.169 10 0 HIAERN CC(=O)Oc1ccc2c(c1)[C@H](OC(C)=O)C[C@H]1[C@@H]3CC[C@H](OC(C)=O)[C@@]3(C)CC[C@H]21 ZINC000004727168 560199796 /nfs/dbraw/zinc/19/97/96/560199796.db2.gz LMXGPAGGDXVARU-LSLXWZMWSA-N 0 0 414.498 4.461 10 0 in-vitro HIAERN COc1ccc(Cn2c3nnc(-c4cccc(Cl)c4)n3c3ccccc3c2=O)cc1 ZINC000006781231 568459181 /nfs/dbraw/zinc/45/91/81/568459181.db2.gz CSFGPDWNCMGWDD-UHFFFAOYSA-N 0 0 416.868 4.422 10 0 HIAERN O=c1c2ccccc2n2c(-c3c[nH]c4ccccc34)nnc2n1Cc1ccc(F)cc1 ZINC000006781215 568459226 /nfs/dbraw/zinc/45/92/26/568459226.db2.gz NKBUXUABSMKRGN-UHFFFAOYSA-N 0 0 409.424 4.380 10 0 HIAERN CCc1ccccc1NC(=O)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1 ZINC000224269195 569056672 /nfs/dbraw/zinc/05/66/72/569056672.db2.gz ZMKUKGUSTNKIPM-UHFFFAOYSA-N 0 0 402.502 4.010 10 0 HIAERN Cc1ccc(NC(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1Cl ZINC000224268167 569056686 /nfs/dbraw/zinc/05/66/86/569056686.db2.gz SGLUSHTYZUFKHZ-UHFFFAOYSA-N 0 0 422.920 4.409 10 0 HIAERN Cc1ccc(-c2ncc(C(=O)NCc3cccnc3)c(N3CCCC[C@H]3C)n2)cc1 ZINC000035987983 569074199 /nfs/dbraw/zinc/07/41/99/569074199.db2.gz FPZHXWQKTJACNI-GOSISDBHSA-N 0 0 401.514 4.156 10 0 HIAERN Cn1c(C[C@H]2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)C2)nc2cccnc21 ZINC000065292572 569218269 /nfs/dbraw/zinc/21/82/69/569218269.db2.gz JOQJJPMJBHKULH-CYBMUJFWSA-N 0 0 403.408 4.084 10 0 HIAERN Cc1c(C(=O)N2CCC(C)CC2)sc2ncnc(N3CCc4ccccc4C3)c12 ZINC000002931567 132259913 /nfs/dbraw/zinc/25/99/13/132259913.db2.gz NDAYXGDIUUMYBW-UHFFFAOYSA-N 0 0 406.555 4.435 10 0 HIAERN O=C(N[C@H]1CCCc2ccccc21)[C@]1(O)c2ccccc2NC(=O)N1c1ccccc1 ZINC000003670142 132268357 /nfs/dbraw/zinc/26/83/57/132268357.db2.gz BYLCPPHWKZBWFF-SQJMNOBHSA-N 0 0 413.477 4.078 10 0 HIAERN COc1ccc(-c2nc(SCC(=O)Nc3ccc(Br)cc3)no2)cc1 ZINC000032612005 523224005 /nfs/dbraw/zinc/22/40/05/523224005.db2.gz OMQOBPQXMOYKOB-UHFFFAOYSA-N 0 0 420.288 4.239 10 0 HIAERN Clc1ccc(I)cc1-c1nc2ccc(-n3cnnc3)cc2o1 ZINC000073640082 526954378 /nfs/dbraw/zinc/95/43/78/526954378.db2.gz FVZRRRLCZVGLBF-UHFFFAOYSA-N 0 0 422.613 4.334 10 0 HIAERN Cc1nc2c(s1)n(CC(=O)Nc1ccc(C)cc1C)c(=O)nc2-c1cccs1 ZINC000032615821 527113625 /nfs/dbraw/zinc/11/36/25/527113625.db2.gz SAVGNHHGSCJIQG-UHFFFAOYSA-N 0 0 410.524 4.145 10 0 HIAERN COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)C(C)C)N(Cc1cccc(F)c1)CC2 ZINC000034855756 557477234 /nfs/dbraw/zinc/47/72/34/557477234.db2.gz GSMFCAOVTQWUFI-HJPURHCSSA-N 0 0 414.521 4.103 10 0 HIAERN CN(Cc1ccco1)C(=O)Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000020939685 558424529 /nfs/dbraw/zinc/42/45/29/558424529.db2.gz OZPCOQDUPTZABP-UHFFFAOYSA-N 0 0 422.510 4.020 10 0 HIAERN CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3ccc(CO)nc32)CC1 ZINC000022060836 558460811 /nfs/dbraw/zinc/46/08/11/558460811.db2.gz XTEULJRKHVVHLA-UHFFFAOYSA-N 0 0 412.917 4.380 10 0 in-vitro HIAERN O=C(Nc1ccc(F)cc1Cl)c1csc(-c2ccnc(N3CCOCC3)c2)n1 ZINC000065062609 558598932 /nfs/dbraw/zinc/59/89/32/558598932.db2.gz YFXIWCJAMXRKGZ-UHFFFAOYSA-N 0 0 418.881 4.087 10 0 HIAERN CC[C@@H](C(=O)Nc1cc(C)ccc1C)n1nc(C)n2c(cc3cc(C)ccc32)c1=O ZINC000006803380 568459807 /nfs/dbraw/zinc/45/98/07/568459807.db2.gz DPBJVNSJCRPJTE-FQEVSTJZSA-N 0 0 402.498 4.473 10 0 HIAERN CSc1ncccc1C(=O)N1CCOc2ccc([C@@H](O)C3CCCCC3)cc2C1 ZINC000014972530 568499830 /nfs/dbraw/zinc/49/98/30/568499830.db2.gz CCCSVGAALWBZAY-NRFANRHFSA-N 0 0 412.555 4.452 10 0 HIAERN Cc1cc(C)n2nc(C(=O)N(Cc3ccc(OCC4CCC4)cc3)C3CC3)cc2n1 ZINC000012455642 568753833 /nfs/dbraw/zinc/75/38/33/568753833.db2.gz ODFPYQQRIVPVAQ-UHFFFAOYSA-N 0 0 404.514 4.330 10 0 HIAERN Cc1cc(OC[C@H]2CN(C(=O)[C@H](C)Oc3ccccc3Cl)CCO2)ccc1Cl ZINC000022625114 568756625 /nfs/dbraw/zinc/75/66/25/568756625.db2.gz XGLOUJYYBZNOAD-DOTOQJQBSA-N 0 0 424.324 4.376 10 0 HIAERN CCOC(=O)c1ccccc1NC(=O)COc1c(C)cc(Br)cc1C ZINC000028284381 568783973 /nfs/dbraw/zinc/78/39/73/568783973.db2.gz FMBIMIHTIBNLCE-UHFFFAOYSA-N 0 0 406.276 4.260 10 0 HIAERN CCCC1([C@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@H]2CCCCCCC(=O)OC)CCC1 ZINC000090416896 569040037 /nfs/dbraw/zinc/04/00/37/569040037.db2.gz XRISENIKJUKIHD-CHKVMVMXSA-N 0 0 408.579 4.344 10 0 HIAERN O=C(NCc1nccc(N2CCCCC2)n1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000224164222 569053316 /nfs/dbraw/zinc/05/33/16/569053316.db2.gz IVRULSXRVBDGDQ-UHFFFAOYSA-N 0 0 413.831 4.461 10 0 HIAERN O=C(c1cccc(Br)c1)N(CCc1cscn1)Cc1cccnc1 ZINC000064612483 569074447 /nfs/dbraw/zinc/07/44/47/569074447.db2.gz ZSCFLMFBCPISDZ-UHFFFAOYSA-N 0 0 402.317 4.186 10 0 HIAERN COc1cccc(CN2C(=O)Cc3c2nc(-c2ccc(Cl)cc2)nc3C)c1OC ZINC000064755909 569089790 /nfs/dbraw/zinc/08/97/90/569089790.db2.gz AAEFDFIUHIGIOO-UHFFFAOYSA-N 0 0 409.873 4.212 10 0 HIAERN CCNC(=O)c1cccc(CSc2nc(C)cc(N(C)Cc3ccccc3)n2)c1 ZINC000006695703 569091544 /nfs/dbraw/zinc/09/15/44/569091544.db2.gz LOVGKMMGNJGJKI-UHFFFAOYSA-N 0 0 406.555 4.463 10 0 HIAERN CC(C)CN(Cc1cc(NC(=O)c2ccco2)ccc1N(C)C)C(=O)c1ccco1 ZINC000006696001 569091739 /nfs/dbraw/zinc/09/17/39/569091739.db2.gz VADXULQDXGMRSS-UHFFFAOYSA-N 0 0 409.486 4.489 10 0 HIAERN COc1ccc(-c2ncc(C(=O)Nc3cccc(OC)c3)c(-c3ccncc3)n2)cc1 ZINC000065153934 569187657 /nfs/dbraw/zinc/18/76/57/569187657.db2.gz KKQCAMFWUGABCF-UHFFFAOYSA-N 0 0 412.449 4.475 10 0 HIAERN O=C(N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000065266639 569213224 /nfs/dbraw/zinc/21/32/24/569213224.db2.gz FHTICSBBDWNPGW-MPGHIAIKSA-N 0 0 403.404 4.130 10 0 HIAERN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCc2nc(N3CCCCC3)ncc2C1 ZINC000065289452 569217926 /nfs/dbraw/zinc/21/79/26/569217926.db2.gz HSWSOQZTSROFPE-CQSZACIVSA-N 0 0 404.436 4.229 10 0 HIAERN CC(=O)N1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc(Cl)cc2)CC1 ZINC000035769014 571313688 /nfs/dbraw/zinc/31/36/88/571313688.db2.gz RTNKRQBSDSQROA-UHFFFAOYSA-N 0 0 420.944 4.365 10 0 HIAERN O=C([O-])c1cc(NC(=O)c2cccs2)ccc1N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000046053585 571314307 /nfs/dbraw/zinc/31/43/07/571314307.db2.gz BHMRUCNFPFSHLV-INIZCTEOSA-N 0 0 413.543 4.011 10 0 HIAERN O=C(c1cccs1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3ccc(Cl)cc3)ccc12 ZINC000004237109 291270086 /nfs/dbraw/zinc/27/00/86/291270086.db2.gz OEKQRNZWXMYVEC-GOEBONIOSA-N 0 0 410.926 4.490 10 0 HIAERN Cc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NCCC(C)C)cc1 ZINC000021862870 132473713 /nfs/dbraw/zinc/47/37/13/132473713.db2.gz JKALGSQPPRQBQR-XMMPIXPASA-N 0 0 410.562 4.070 10 0 HIAERN O=C(Nc1ccc(N2CCCN(Cc3ccc4c(c3)OCO4)C2=O)cc1)C1CCCC1 ZINC000034734535 132797131 /nfs/dbraw/zinc/79/71/31/132797131.db2.gz CJXYEPPZXVFNPU-UHFFFAOYSA-N 0 0 421.497 4.376 10 0 HIAERN CN(Cc1ccccc1)C(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CO2 ZINC000035377535 132801385 /nfs/dbraw/zinc/80/13/85/132801385.db2.gz IBGZXBFPNHGLKI-UHFFFAOYSA-N 0 0 404.441 4.024 10 0 HIAERN COc1ccc(-c2nnn(CSC)c2C(=O)Nc2cccc(C)c2C)cc1OC ZINC000032611825 523269904 /nfs/dbraw/zinc/26/99/04/523269904.db2.gz PNVGDAIHZLHCOD-UHFFFAOYSA-N 0 0 412.515 4.152 10 0 HIAERN CCC(=O)N(Cc1ccco1)Cc1cc2ccc(C)cc2nc1N1CCC[C@@H](O)C1 ZINC000019595197 535295739 /nfs/dbraw/zinc/29/57/39/535295739.db2.gz YBKBCHLYTJJZEB-HXUWFJFHSA-N 0 0 407.514 4.036 10 0 HIAERN O=C(N[C@H](Cc1ccccc1)c1ccccc1)[C@@H]1CC(=O)N(Cc2ccccc2F)C1 ZINC000034918205 557483080 /nfs/dbraw/zinc/48/30/80/557483080.db2.gz MBAWLZDRJCTMOK-ISKFKSNPSA-N 0 0 416.496 4.274 10 0 HIAERN O=C(Nc1cc(Br)ccc1Br)[C@@H]1CC(F)(F)C1(F)F ZINC000005749386 557672719 /nfs/dbraw/zinc/67/27/19/557672719.db2.gz CVGCPCGJKKZXBU-LURJTMIESA-N 0 0 404.983 4.441 10 0 HIAERN COc1cc(CN/C(C)=C/c2nsc(Nc3ccccc3)n2)cc(OC)c1OC ZINC000005909415 557680613 /nfs/dbraw/zinc/68/06/13/557680613.db2.gz JCXMHNAVUYJBQH-GXDHUFHOSA-N 0 0 412.515 4.458 10 0 HIAERN COC(=O)c1c2c(sc1NC(=O)CCSc1nc3ccccc3n1C)CCC2 ZINC000020290456 558353891 /nfs/dbraw/zinc/35/38/91/558353891.db2.gz HLXWTPVSEKKVFN-UHFFFAOYSA-N 0 0 415.540 4.031 10 0 HIAERN COc1cccc(-c2cc(CN(C(C)C)S(=O)(=O)c3ccc(F)cc3)no2)c1 ZINC000034922456 558787829 /nfs/dbraw/zinc/78/78/29/558787829.db2.gz RWHSYPKCKRMMFD-UHFFFAOYSA-N 0 0 404.463 4.089 10 0 HIAERN C[C@@]12C(=O)N(c3ccc(C(=O)Nc4cccc5cccnc54)cc3)C(=O)[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000095616571 558886320 /nfs/dbraw/zinc/88/63/20/558886320.db2.gz JLUGUZSHOFCGPZ-SJGOCFNWSA-N 0 0 423.472 4.189 10 0 HIAERN CCCN(CCC)C(=O)c1ccc(-n2nc(-c3nnc(C)o3)c(Cl)c2C)cc1 ZINC000023321519 559126244 /nfs/dbraw/zinc/12/62/44/559126244.db2.gz LFXMQUHWZJBJHN-UHFFFAOYSA-N 0 0 401.898 4.455 10 0 HIAERN Cc1cc2nc(N3CCCN(Cc4nc5ccccc5[nH]4)CC3)nc(C)c2cc1C ZINC000023338378 559172989 /nfs/dbraw/zinc/17/29/89/559172989.db2.gz OWPBAYOJLLWPCW-UHFFFAOYSA-N 0 0 400.530 4.144 10 0 HIAERN CCOc1ccc(CCNC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)cc1 ZINC000020531104 560728197 /nfs/dbraw/zinc/72/81/97/560728197.db2.gz LORHVGSXSRWDOJ-XMMPIXPASA-N 0 0 414.505 4.141 10 0 HIAERN COc1cccc(OC)c1-c1cnnc(N(C)C[C@@]2(c3ccccc3)CC2(C)C)n1 ZINC000014968221 568493871 /nfs/dbraw/zinc/49/38/71/568493871.db2.gz WDOWHHGLRUGYAM-XMMPIXPASA-N 0 0 404.514 4.360 10 0 HIAERN Cc1c2ccccc2oc1-c1nnc2sc(COc3ccc4c(c3)OCCO4)nn21 ZINC000096194368 568703773 /nfs/dbraw/zinc/70/37/73/568703773.db2.gz FKZJRWWDBZNBGY-UHFFFAOYSA-N 0 0 420.450 4.258 10 0 HIAERN O=C(NC[C@@H]1Cc2cccc(-c3cncnc3)c2O1)[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000014991305 568718406 /nfs/dbraw/zinc/71/84/06/568718406.db2.gz PRVBRKFBULTYQV-AVRDEDQJSA-N 0 0 424.504 4.165 10 0 HIAERN Cc1cccc(CNC(=O)CCC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000021872331 568756342 /nfs/dbraw/zinc/75/63/42/568756342.db2.gz JBBTUSPUFMLHRX-UHFFFAOYSA-N 0 0 401.510 4.189 10 0 HIAERN Cc1cc(OC[C@@H]2CN(C(=O)[C@@H](C)Oc3ccccc3Cl)CCO2)ccc1Cl ZINC000022625117 568756535 /nfs/dbraw/zinc/75/65/35/568756535.db2.gz XGLOUJYYBZNOAD-WBVHZDCISA-N 0 0 424.324 4.376 10 0 HIAERN CC[C@H]1CCCCN1C(=O)c1sc2ncn(Cc3ccccc3F)c(=O)c2c1C ZINC000002911037 568815874 /nfs/dbraw/zinc/81/58/74/568815874.db2.gz JVJNNMKFTYAMDC-INIZCTEOSA-N 0 0 413.518 4.359 10 0 HIAERN Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(N(C)Cc2ccccc2)s1 ZINC000005133080 568984601 /nfs/dbraw/zinc/98/46/01/568984601.db2.gz YMSXBNHVSWFGAV-UHFFFAOYSA-N 0 0 405.483 4.390 10 0 aggregator HIAERN Cc1cccn2c([C@@H](CC(=O)NC3CCCCC3)c3ccc4c(c3)OCO4)cnc12 ZINC000035517002 569043326 /nfs/dbraw/zinc/04/33/26/569043326.db2.gz YKWUYWROHBKIQP-IBGZPJMESA-N 0 0 405.498 4.342 10 0 HIAERN O=C(Nc1ccc(Cl)cc1)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1 ZINC000224267812 569056706 /nfs/dbraw/zinc/05/67/06/569056706.db2.gz KDTPPLSOTXKHRN-UHFFFAOYSA-N 0 0 408.893 4.101 10 0 HIAERN CCOC(=O)c1ccc(NC(=O)CN2c3ccccc3SC(C)(C)CC2=O)cc1 ZINC000006820206 569139327 /nfs/dbraw/zinc/13/93/27/569139327.db2.gz KZHJMVWWECVFMD-UHFFFAOYSA-N 0 0 412.511 4.109 10 0 HIAERN C[C@H]1CCCN(C(=O)c2cc3c(s2)CCN(C(=O)c2ccc(Cl)cc2)C3)C1 ZINC000065201490 569195710 /nfs/dbraw/zinc/19/57/10/569195710.db2.gz MFCFIXIIVBIOLP-AWEZNQCLSA-N 0 0 402.947 4.472 10 0 HIAERN CCNC(=O)c1ccc(Cn2c(C)c(C)s/c2=N\C(=O)c2cccc(C)c2)cc1 ZINC000037427883 569298810 /nfs/dbraw/zinc/29/88/10/569298810.db2.gz XJMZRYDHDJMXLI-BZZOAKBMSA-N 0 0 407.539 4.014 10 0 HIAERN Cc1nc(C)c(Cc2c(F)cccc2Cl)c(N2CCN(C(=O)CC(C)C)CC2)n1 ZINC000006775878 132315583 /nfs/dbraw/zinc/31/55/83/132315583.db2.gz UTGWJOPONDKZBN-UHFFFAOYSA-N 0 0 418.944 4.171 10 0 HIAERN COc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)cc1OC ZINC000022481110 132474626 /nfs/dbraw/zinc/47/46/26/132474626.db2.gz PQECXRDWMVUZGC-GOSISDBHSA-N 0 0 418.497 4.016 10 0 HIAERN CCCCS(=O)(=O)Nc1c(C)nn(COc2ccc(Cl)cc2Cl)c1C ZINC000032611731 520940170 /nfs/dbraw/zinc/94/01/70/520940170.db2.gz QKBLSXPHJLAMQP-UHFFFAOYSA-N 0 0 406.335 4.385 10 0 HIAERN CCOc1ccc(NC(=O)c2c(-c3ccc(OC)cc3)nnn2CSCC)cc1 ZINC000032611863 521113514 /nfs/dbraw/zinc/11/35/14/521113514.db2.gz PDTONLNVQNSUNP-UHFFFAOYSA-N 0 0 412.515 4.315 10 0 HIAERN CN(C(=O)CSc1nc2ccccc2n1Cc1cccnc1)c1ccc(F)cc1 ZINC000033050520 523840061 /nfs/dbraw/zinc/84/00/61/523840061.db2.gz ZEESKPMJIUFCRQ-UHFFFAOYSA-N 0 0 406.486 4.374 10 0 HIAERN CCc1ccc(-c2nc(=O)n(CC(=O)Nc3ccccc3F)c3sc(C)nc32)cc1 ZINC000032641637 523859935 /nfs/dbraw/zinc/85/99/35/523859935.db2.gz IGKYSLREWSRFMD-UHFFFAOYSA-N 0 0 422.485 4.169 10 0 HIAERN Cc1cc2nc(COc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cc(=O)n2o1 ZINC000041085627 525674418 /nfs/dbraw/zinc/67/44/18/525674418.db2.gz BTQKFZWVFNCTPN-UHFFFAOYSA-N 0 0 409.829 4.081 10 0 HIAERN Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NS(=O)(=O)Cc1ccccc1 ZINC000028305200 526292049 /nfs/dbraw/zinc/29/20/49/526292049.db2.gz RZNPCRBPGYNOOS-UHFFFAOYSA-N 0 0 407.898 4.283 10 0 HIAERN Cc1nc2c(s1)n(CC(=O)Nc1cccc(C)c1C)c(=O)nc2-c1cccs1 ZINC000032615818 527113429 /nfs/dbraw/zinc/11/34/29/527113429.db2.gz DQEHKLATUWTIIP-UHFFFAOYSA-N 0 0 410.524 4.145 10 0 HIAERN O=C(Nc1ccccc1SCc1cc(=O)n2ccsc2n1)c1ccccc1F ZINC000041076609 527435319 /nfs/dbraw/zinc/43/53/19/527435319.db2.gz ULVOXDXMQCYKDT-UHFFFAOYSA-N 0 0 411.483 4.440 10 0 HIAERN COc1c(C)cc(-c2ccc3nc(C(=O)NCCOc4ccccc4)cn3c2)cc1C ZINC000034831184 557466464 /nfs/dbraw/zinc/46/64/64/557466464.db2.gz HCOXMZCCQSNZNU-UHFFFAOYSA-N 0 0 415.493 4.436 10 0 HIAERN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000015869112 558759714 /nfs/dbraw/zinc/75/97/14/558759714.db2.gz BJELZJJRCRDJPZ-UHFFFAOYSA-N 0 0 419.462 4.407 10 0 HIAERN COC(=O)c1cc2c([nH]1)[C@H](NC(=O)OCC1c3ccccc3-c3ccccc31)CC2 ZINC000725245442 559075084 /nfs/dbraw/zinc/07/50/84/559075084.db2.gz HDAWCZDBTPOHTA-HXUWFJFHSA-N 0 0 402.450 4.327 10 0 HIAERN Cc1ccc(S(=O)(=O)n2cc(C(F)(F)F)c3cc(Br)cnc32)cc1 ZINC000095830095 559088588 /nfs/dbraw/zinc/08/85/88/559088588.db2.gz CEDHAEPABHHQBI-UHFFFAOYSA-N 0 0 419.222 4.363 10 0 HIAERN CCC[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2ON1c1ccc(Cl)c(Cl)c1 ZINC000100208388 559131875 /nfs/dbraw/zinc/13/18/75/559131875.db2.gz XOGPKSZIPVZNBU-BZSNNMDCSA-N 0 0 405.281 4.472 10 0 HIAERN CCc1ccc(Nc2cc(C(=O)NCCCN3CCCC3=O)c3ccccc3n2)cc1 ZINC000004910465 559202168 /nfs/dbraw/zinc/20/21/68/559202168.db2.gz XFIFKPLLUFWVGC-UHFFFAOYSA-N 0 0 416.525 4.283 10 0 HIAERN O=C(NC12CC3CC(CC(C3)C1)C2)N1CCS[C@H]1c1ccc2c(c1)OCCO2 ZINC000004930080 559209026 /nfs/dbraw/zinc/20/90/26/559209026.db2.gz RZFTTXHJRKNSKS-KNBKFLTOSA-N 0 0 400.544 4.184 10 0 HIAERN Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NCCCOC(C)C ZINC000004935626 559210520 /nfs/dbraw/zinc/21/05/20/559210520.db2.gz HUMJNMFCDOJJSG-UHFFFAOYSA-N 0 0 412.509 4.016 10 0 HIAERN COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)C1CC1)N(Cc1ccc(C)cc1)CC2 ZINC000103051866 560852843 /nfs/dbraw/zinc/85/28/43/560852843.db2.gz FYWWXFUVMITIEU-BXKMTCNYSA-N 0 0 408.542 4.026 10 0 HIAERN C[C@@H](Cc1cc(C(=O)NCc2cnn(-c3ccc(F)cc3)c2)on1)c1ccccc1 ZINC000014878766 560884418 /nfs/dbraw/zinc/88/44/18/560884418.db2.gz MJKNLTXRNFJFSB-INIZCTEOSA-N 0 0 404.445 4.276 10 0 HIAERN O=C(Nc1ccccc1Br)N1CCS[C@@H]1c1ccc2c(c1)OCCO2 ZINC000000699973 568462458 /nfs/dbraw/zinc/46/24/58/568462458.db2.gz JANZZVXJGRYMOT-QGZVFWFLSA-N 0 0 421.316 4.500 10 0 HIAERN O=C(NC[C@H]1Cc2cccc(-c3cncnc3)c2O1)[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000014991303 568718581 /nfs/dbraw/zinc/71/85/81/568718581.db2.gz PRVBRKFBULTYQV-XMSQKQJNSA-N 0 0 424.504 4.165 10 0 HIAERN Cc1cc(OC[C@@H]2CN(C(=O)[C@H](C)Oc3ccccc3Cl)CCO2)ccc1Cl ZINC000022625122 568756584 /nfs/dbraw/zinc/75/65/84/568756584.db2.gz XGLOUJYYBZNOAD-RDJZCZTQSA-N 0 0 424.324 4.376 10 0 HIAERN COc1ccc([C@@H]2[C@H](C(=O)Nc3cccc(OC)c3)c3ccccc3C(=O)N2C)cc1 ZINC000003657705 568923162 /nfs/dbraw/zinc/92/31/62/568923162.db2.gz XQOFNSHQYSDYLK-DHIUTWEWSA-N 0 0 416.477 4.253 10 0 HIAERN Nc1nc(N)c(-c2nc3ccccc3s2)c(CCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000000634454 569032848 /nfs/dbraw/zinc/03/28/48/569032848.db2.gz VCTKQBHRSDBKHU-UHFFFAOYSA-N 0 0 424.917 4.142 10 0 HIAERN CN(C)c1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(Cc1ccccc1)C3 ZINC000669385201 569040378 /nfs/dbraw/zinc/04/03/78/569040378.db2.gz KYMULGKCDMAGAD-UHFFFAOYSA-N 0 0 416.550 4.072 10 0 HIAERN O=C(NCc1ccnc(N2CCCCC2)n1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000224211559 569056429 /nfs/dbraw/zinc/05/64/29/569056429.db2.gz QMWWTOGFRKGVCK-UHFFFAOYSA-N 0 0 413.831 4.461 10 0 HIAERN O=C(Nc1ccc2c(c1)CN(CCc1ccc(F)cc1)C(=O)CO2)c1ccccc1F ZINC000035909447 569065632 /nfs/dbraw/zinc/06/56/32/569065632.db2.gz SWTUYFFWHBSTSI-UHFFFAOYSA-N 0 0 422.431 4.181 10 0 HIAERN Nc1ccc(N2CCCCC2)c(NC(=O)c2cccc(I)c2)c1 ZINC000226259137 569278696 /nfs/dbraw/zinc/27/86/96/569278696.db2.gz ITQUKWBJWKBUJA-UHFFFAOYSA-N 0 0 421.282 4.116 10 0 HIAERN CC(=O)NCCc1cn(C(=O)OC(C)(C)C)c2ccc(OC(=O)OC(C)(C)C)cc12 ZINC000065733999 569393159 /nfs/dbraw/zinc/39/31/59/569393159.db2.gz YVQMPLGGLYQKHM-UHFFFAOYSA-N 0 0 418.490 4.417 10 0 in-vitro HIAERN COCCCN(Cc1csc(COc2ccccc2)n1)C(=O)c1cccs1 ZINC000036114590 571317324 /nfs/dbraw/zinc/31/73/24/571317324.db2.gz WOMPYQWZQZAZSD-UHFFFAOYSA-N 0 0 402.541 4.463 10 0 HIAERN COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(C)c(C)sc2-n2c(C)nnc21 ZINC000095921068 341977364 /nfs/dbraw/zinc/97/73/64/341977364.db2.gz GGRCIHACOIMRKY-HNNXBMFYSA-N 0 0 414.918 4.363 10 0 in-vitro HIAERN Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)c2ccc3c(c2)OCO3)C1 ZINC000015673919 291268543 /nfs/dbraw/zinc/26/85/43/291268543.db2.gz GEDABIMMVKQDAQ-VQIMIIECSA-N 0 0 419.456 4.199 10 0 HIAERN Cc1ccc2c(C)nc(N3CCC(C(=O)NCc4ccccc4Cl)CC3)nc2c1 ZINC000012280376 132357949 /nfs/dbraw/zinc/35/79/49/132357949.db2.gz XZHKKHASNKTENG-UHFFFAOYSA-N 0 0 408.933 4.433 10 0 HIAERN CCN(C(=O)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1)c1ccccc1 ZINC000020585149 520047838 /nfs/dbraw/zinc/04/78/38/520047838.db2.gz JDVXSBJJBMLZPJ-KRWDZBQOSA-N 0 0 409.917 4.265 10 0 HIAERN O=C(Nc1cc(F)cc(F)c1)C1CCN(c2nccnc2Oc2ccccc2)CC1 ZINC000033141982 527121737 /nfs/dbraw/zinc/12/17/37/527121737.db2.gz QTOJMYVYHSIWRC-UHFFFAOYSA-N 0 0 410.424 4.402 10 0 HIAERN Cc1nc2cccnc2n1-c1cc(C(=O)NCCc2c[nH]c3ccccc23)ccc1C ZINC000032932013 527181422 /nfs/dbraw/zinc/18/14/22/527181422.db2.gz JPLJUVFYHXRLGX-UHFFFAOYSA-N 0 0 409.493 4.491 10 0 HIAERN O=S(=O)(c1ccccc1)N(c1ccc(F)cc1)C1CCN(Cc2ccoc2)CC1 ZINC000034683908 557387022 /nfs/dbraw/zinc/38/70/22/557387022.db2.gz LKRLEXPFZUFIPK-UHFFFAOYSA-N 0 0 414.502 4.279 10 0 HIAERN O=C(Nc1cc(Br)ccc1Br)[C@H]1CC(F)(F)C1(F)F ZINC000005749388 557672731 /nfs/dbraw/zinc/67/27/31/557672731.db2.gz CVGCPCGJKKZXBU-ZCFIWIBFSA-N 0 0 404.983 4.441 10 0 HIAERN CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3c(CO)ccnc32)CC1 ZINC000006709754 557716737 /nfs/dbraw/zinc/71/67/37/557716737.db2.gz BCKYTUFUNAGTDV-UHFFFAOYSA-N 0 0 412.917 4.380 10 0 in-vitro HIAERN COCCN(C)C(=O)c1sc2ncnc(N[C@H]3CCCc4ccccc43)c2c1C ZINC000015007748 558699247 /nfs/dbraw/zinc/69/92/47/558699247.db2.gz LVQWDCYVOARKSO-KRWDZBQOSA-N 0 0 410.543 4.208 10 0 HIAERN CC[C@H](C(=O)Nc1c(C)cccc1C)n1nc(C)n2c(cc3cc(C)ccc32)c1=O ZINC000006803395 568459918 /nfs/dbraw/zinc/45/99/18/568459918.db2.gz KNIAIYYRQRHPQS-LJQANCHMSA-N 0 0 402.498 4.473 10 0 HIAERN COc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2cccc(F)c2)c(OC)n1 ZINC000096247547 568709877 /nfs/dbraw/zinc/70/98/77/568709877.db2.gz YWEJAXUEPLMNGO-UHFFFAOYSA-N 0 0 418.428 4.343 10 0 HIAERN O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCCN(C(=O)c2cncs2)C1 ZINC000012429726 568722051 /nfs/dbraw/zinc/72/20/51/568722051.db2.gz PYUZUMCBOFOUIX-QGZVFWFLSA-N 0 0 409.486 4.440 10 0 HIAERN COc1c(C)cc(C(=O)N2CCO[C@@H](COc3ccc(Cl)c(C)c3)C2)cc1C ZINC000022627812 568756573 /nfs/dbraw/zinc/75/65/73/568756573.db2.gz AANUYADQHOHSNT-LJQANCHMSA-N 0 0 403.906 4.194 10 0 HIAERN CCCCn1ccnc1C(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000003287445 568872644 /nfs/dbraw/zinc/87/26/44/568872644.db2.gz BEMGGMHRNBEBHI-QGZVFWFLSA-N 0 0 423.538 4.054 10 0 HIAERN Cc1cc(C(=O)N(CCC(=O)NCCc2ccccc2)Cc2ccc(F)cc2)c(C)o1 ZINC000004793303 568937154 /nfs/dbraw/zinc/93/71/54/568937154.db2.gz WYHPICRDTQIABW-UHFFFAOYSA-N 0 0 422.500 4.427 10 0 HIAERN CCOCCCNC(=O)c1cc(NC(=O)/C=C/c2ccccc2)ccc1N1CCCC1 ZINC000004191595 568950344 /nfs/dbraw/zinc/95/03/44/568950344.db2.gz OCBGTTUZMIUCRD-SDNWHVSQSA-N 0 0 421.541 4.095 10 0 HIAERN O=C(NCCNc1nc(-c2ccc(F)cc2)nc2ccccc21)c1cccc(F)c1 ZINC000006774383 569118314 /nfs/dbraw/zinc/11/83/14/569118314.db2.gz OGCFDPHBVTWHLO-UHFFFAOYSA-N 0 0 404.420 4.417 10 0 HIAERN COc1cccc(NC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)c1 ZINC000006799393 569126406 /nfs/dbraw/zinc/12/64/06/569126406.db2.gz CYTGCGDEJFXVLA-UHFFFAOYSA-N 0 0 407.495 4.347 10 0 HIAERN COc1ccc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccccc2C)cc1 ZINC000065075019 569169328 /nfs/dbraw/zinc/16/93/28/569169328.db2.gz IAQGFDJLQAEYRC-AREMUKBSSA-N 0 0 414.505 4.282 10 0 HIAERN CCc1cc(I)ccc1NC(=O)c1cc(N)ccc1Cl ZINC000226268922 569278958 /nfs/dbraw/zinc/27/89/58/569278958.db2.gz ZIKCKNUXBTUKLL-UHFFFAOYSA-N 0 0 400.647 4.342 10 0 HIAERN Cc1cc(NC(=O)[C@H]2CCO[C@@H]2c2cnn(C(C)C)c2)ccc1OCC(F)(F)F ZINC000328603331 569416894 /nfs/dbraw/zinc/41/68/94/569416894.db2.gz FRPMKEYJPLVYEQ-FUHWJXTLSA-N 0 0 411.424 4.430 10 0 HIAERN C[C@H](NC(=O)c1cn(-c2ncccc2-c2nc(C(C)(C)C)no2)cn1)c1ccccc1 ZINC000071768617 571299912 /nfs/dbraw/zinc/29/99/12/571299912.db2.gz LLHILNUWJKBCQI-HNNXBMFYSA-N 0 0 416.485 4.106 10 0 HIAERN CCOC(=O)[C@@H]1CCCN(c2nc3ccccc3c3nnc(-c4cccc(C)c4)n32)C1 ZINC000037554556 571313958 /nfs/dbraw/zinc/31/39/58/571313958.db2.gz VEPJUSGNZYAGTQ-GOSISDBHSA-N 0 0 415.497 4.032 10 0 HIAERN CC(=O)N1CCC[C@@H](C(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)C1 ZINC000028572123 581096467 /nfs/dbraw/zinc/09/64/67/581096467.db2.gz QSYYXXNSCFXCDV-HXUWFJFHSA-N 0 0 415.497 4.084 10 0 HIAERN Cc1ccc(Nc2nc3nc(Nc4ccc(C)cc4)nc(N4CCOCC4)c3[nH]2)cc1 ZINC000033988724 132227825 /nfs/dbraw/zinc/22/78/25/132227825.db2.gz YWUNYRXROJHTSA-UHFFFAOYSA-N 0 0 415.501 4.294 10 0 HIAERN CC[C@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)n1sc2ccccc2c1=O ZINC000006780780 132315933 /nfs/dbraw/zinc/31/59/33/132315933.db2.gz SRVHNVHMCRCQCE-GOSISDBHSA-N 0 0 415.946 4.016 10 0 HIAERN C[C@@H]1CCCCN1C(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000012112105 132354117 /nfs/dbraw/zinc/35/41/17/132354117.db2.gz WUXGNHXEOJTCRA-GOSISDBHSA-N 0 0 404.558 4.250 10 0 HIAERN CC[C@@H](C(=O)N(CC)c1ccccc1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944730 521807265 /nfs/dbraw/zinc/80/72/65/521807265.db2.gz KUYWSOPQEUEILQ-INIZCTEOSA-N 0 0 403.404 4.420 10 0 HIAERN CC[C@H](C)NC(=O)C1CCN(c2ccc(NC(=O)Nc3ccc(C)cc3C)cn2)CC1 ZINC000040455500 523964212 /nfs/dbraw/zinc/96/42/12/523964212.db2.gz PGKOILHVOHWTQU-SFHVURJKSA-N 0 0 423.561 4.474 10 0 HIAERN CSc1cccc(NC(=O)COc2cc(C(F)(F)F)c3c(C)nn(C)c3n2)c1 ZINC000045991495 526115031 /nfs/dbraw/zinc/11/50/31/526115031.db2.gz IKXCUOSKKOYPCW-UHFFFAOYSA-N 0 0 410.421 4.035 10 0 HIAERN Cn1cc(Br)c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000003045644 557442871 /nfs/dbraw/zinc/44/28/71/557442871.db2.gz UDNHFBMTVSGDLC-UHFFFAOYSA-N 0 0 416.119 4.473 10 0 HIAERN COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)C1CC1)N(Cc1ccc(C)cc1)CC2 ZINC000034855570 557476826 /nfs/dbraw/zinc/47/68/26/557476826.db2.gz FYWWXFUVMITIEU-OSPHWJPCSA-N 0 0 408.542 4.026 10 0 HIAERN COCCCNC(=O)c1cn2c(n1)CC[C@H](c1ccc(Oc3ccccc3)cc1)C2 ZINC000034898967 557480791 /nfs/dbraw/zinc/48/07/91/557480791.db2.gz FZNJPGVSOLGIQP-IBGZPJMESA-N 0 0 405.498 4.172 10 0 HIAERN CCc1nc(-c2ccc(-c3noc(CNC(=O)Cc4ccccc4)n3)cc2)cs1 ZINC000065032332 558596848 /nfs/dbraw/zinc/59/68/48/558596848.db2.gz DRYJVQGVNSQDLF-UHFFFAOYSA-N 0 0 404.495 4.281 10 0 HIAERN COc1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](C(=O)NC2CCC(C)CC2)CO3)cc1 ZINC000065082697 558615469 /nfs/dbraw/zinc/61/54/69/558615469.db2.gz JMLZCFCGQYDDJW-NQKNOSNGSA-N 0 0 422.525 4.194 10 0 HIAERN COc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C(=O)NC2CCC(C)CC2)CO3)cc1 ZINC000065082699 558615518 /nfs/dbraw/zinc/61/55/18/558615518.db2.gz JMLZCFCGQYDDJW-AJPWXKBRSA-N 0 0 422.525 4.194 10 0 HIAERN COc1ccc(OC)c(NC(=O)c2ccc3oc(=O)n(Cc4ccc(F)cc4)c3c2)c1 ZINC000064894138 558967220 /nfs/dbraw/zinc/96/72/20/558967220.db2.gz FOCNWBNMVXDOHI-UHFFFAOYSA-N 0 0 422.412 4.051 10 0 HIAERN CCC[NH+]1CCC(CNC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])CC1 ZINC000725244396 559073366 /nfs/dbraw/zinc/07/33/66/559073366.db2.gz IREMTWOTCMOHQK-UHFFFAOYSA-N 0 0 422.525 4.102 10 0 HIAERN COc1ccc(C(=O)COc2ccc(-c3noc(-c4ccco4)n3)cc2OC)cc1 ZINC000034680390 568733725 /nfs/dbraw/zinc/73/37/25/568733725.db2.gz JAYRFHBUXIRSMB-UHFFFAOYSA-N 0 0 406.394 4.276 10 0 HIAERN COC(=O)c1c(NC(=O)[C@H]2CCCO2)sc(C)c1-c1ccc(Br)cc1 ZINC000028284574 568783950 /nfs/dbraw/zinc/78/39/50/568783950.db2.gz WHMNKWQSAWCLJU-CYBMUJFWSA-N 0 0 424.316 4.390 10 0 HIAERN CC(C)(C)OC(=O)O[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1OC(=O)OC(C)(C)C ZINC000669370966 569039172 /nfs/dbraw/zinc/03/91/72/569039172.db2.gz FWHAIOXGSFDZGS-KBPBESRZSA-N 0 0 417.499 4.268 10 0 HIAERN CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3[nH]ccc3c2)cc1 ZINC000669385203 569040358 /nfs/dbraw/zinc/04/03/58/569040358.db2.gz LMRKBTYVCWEUSB-QFIPXVFZSA-N 0 0 419.481 4.328 10 0 HIAERN CC(C)c1ccc(O)c(NC(=O)c2cc(-n3cnnc3)ccc2Br)c1 ZINC000035684141 569049080 /nfs/dbraw/zinc/04/90/80/569049080.db2.gz LRYXTHWZJNSVDQ-UHFFFAOYSA-N 0 0 401.264 4.111 10 0 HIAERN Cc1c(Cl)cccc1NC(=O)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1 ZINC000224269654 569056691 /nfs/dbraw/zinc/05/66/91/569056691.db2.gz DSNHFGZKGDXRDD-UHFFFAOYSA-N 0 0 422.920 4.409 10 0 HIAERN Cc1ccc(-c2ncc(C(=O)NCc3cccnc3)c(N3CCCC[C@@H]3C)n2)cc1 ZINC000035987982 569074174 /nfs/dbraw/zinc/07/41/74/569074174.db2.gz FPZHXWQKTJACNI-SFHVURJKSA-N 0 0 401.514 4.156 10 0 HIAERN COCC(=O)N(Cc1csc(COc2cc(Cl)ccc2Cl)n1)C(C)C ZINC000036124530 569095554 /nfs/dbraw/zinc/09/55/54/569095554.db2.gz WSSFQLSPYITVHH-UHFFFAOYSA-N 0 0 403.331 4.412 10 0 HIAERN COc1ccc(C(=O)N2CC(C)(C)S[C@]23C(=O)Nc2ccc(Cl)cc23)cc1 ZINC000036153396 569101367 /nfs/dbraw/zinc/10/13/67/569101367.db2.gz OARFDKGHGLCYPB-HXUWFJFHSA-N 0 0 402.903 4.121 10 0 HIAERN COc1cc(OC)cc(N(Cc2ccccc2OC)S(=O)(=O)c2ccccc2)c1 ZINC000036246528 569116765 /nfs/dbraw/zinc/11/67/65/569116765.db2.gz APYJSEPAJOBPKR-UHFFFAOYSA-N 0 0 413.495 4.108 10 0 HIAERN C[C@H](NC(=O)c1ccccc1N1CCC(NC(=O)C2CCC2)CC1)c1ccccc1 ZINC000037276497 569245899 /nfs/dbraw/zinc/24/58/99/569245899.db2.gz WISYTMRUKUZATK-SFHVURJKSA-N 0 0 405.542 4.063 10 0 HIAERN C[C@@H](NC(=O)c1ccccc1N1CCC(NC(=O)C2CCC2)CC1)c1ccccc1 ZINC000037276500 569245932 /nfs/dbraw/zinc/24/59/32/569245932.db2.gz WISYTMRUKUZATK-GOSISDBHSA-N 0 0 405.542 4.063 10 0 HIAERN C[C@@H](O)c1cccc(NC(=O)c2cc(I)ccc2Cl)c1 ZINC000226274257 569279055 /nfs/dbraw/zinc/27/90/55/569279055.db2.gz ZEDOTTJUQOGBOQ-SECBINFHSA-N 0 0 401.631 4.250 10 0 HIAERN CC(=O)Nc1ccc(S(=O)(=O)N(Cc2cccc(F)c2)c2cccc(F)c2)cc1 ZINC000036247303 571313921 /nfs/dbraw/zinc/31/39/21/571313921.db2.gz UWWYDCFCVOMKAJ-UHFFFAOYSA-N 0 0 416.449 4.319 10 0 HIAERN Cc1cccc(-c2ncc(C(=O)NC[C@@H]3CCCO3)c(N(C)c3ccccc3)n2)c1 ZINC000035988753 571313932 /nfs/dbraw/zinc/31/39/32/571313932.db2.gz FGRKVMJNSSHLDW-FQEVSTJZSA-N 0 0 402.498 4.129 10 0 HIAERN Nc1nnc(CCCNC(=O)c2ccccc2SCCCc2ccccc2)s1 ZINC000020202443 571314666 /nfs/dbraw/zinc/31/46/66/571314666.db2.gz WRQFJOVJWOISIP-UHFFFAOYSA-N 0 0 412.584 4.208 10 0 HIAERN CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000052956332 581095250 /nfs/dbraw/zinc/09/52/50/581095250.db2.gz ZKZFPRUSWCYSGT-UHFFFAOYSA-N 0 0 421.585 4.422 10 0 in-man HIAERN Cc1cc(OCc2cccnc2)c(C)c2c1CC[C@H]([C@H](C)C(=O)N1CCCC1)[C@H]2O ZINC000003841685 291267891 /nfs/dbraw/zinc/26/78/91/291267891.db2.gz CUFCOCGMBYDLRX-XVWGUNQUSA-N 0 0 408.542 4.132 10 0 HIAERN Cc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1C ZINC000003670171 132268373 /nfs/dbraw/zinc/26/83/73/132268373.db2.gz CQVFCGVLBDGSMN-LZBHBKQYSA-N 0 0 407.514 4.196 10 0 HIAERN Cc1ccc2nc(N3CCC(C(=O)NC[C@@H](C)c4ccccc4)CC3)nc(C)c2c1 ZINC000012166361 132355722 /nfs/dbraw/zinc/35/57/22/132355722.db2.gz NQIJXIWRNBNVDD-GOSISDBHSA-N 0 0 402.542 4.383 10 0 HIAERN CC(=O)OCc1c(OC(C)=O)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc21 ZINC000045919466 519756827 /nfs/dbraw/zinc/75/68/27/519756827.db2.gz BRUGQTSINVYABG-UHFFFAOYSA-N 0 0 400.814 4.410 10 0 HIAERN CC[C@@H](C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccccc3C)cc2)CCC1 ZINC000040454921 522143393 /nfs/dbraw/zinc/14/33/93/522143393.db2.gz GGHOQIWQAVQLRZ-QGZVFWFLSA-N 0 0 400.544 4.132 10 0 HIAERN COc1ccc(-c2nc(-c3cccc(NC(=O)c4ccccn4)c3)no2)cc1OC ZINC000028304115 523185605 /nfs/dbraw/zinc/18/56/05/523185605.db2.gz CKNBGAHZPPCFHL-UHFFFAOYSA-N 0 0 402.410 4.068 10 0 HIAERN CN(Cc1csc(-c2ccccc2)n1)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020453760 523520952 /nfs/dbraw/zinc/52/09/52/523520952.db2.gz RCFUGMXAJCMLEC-UHFFFAOYSA-N 0 0 406.467 4.221 10 0 HIAERN Cc1nc2c(s1)n(CC(=O)Nc1cccc(Cl)c1)c(=O)nc2-c1cccs1 ZINC000032616322 527112968 /nfs/dbraw/zinc/11/29/68/527112968.db2.gz BOMQQEKNKISQCK-UHFFFAOYSA-N 0 0 416.915 4.182 10 0 HIAERN O=C(Cc1cc(Br)cs1)NCCc1cccc(OC(F)(F)F)c1 ZINC000042750455 527207538 /nfs/dbraw/zinc/20/75/38/527207538.db2.gz USRXWNKFKBVRPD-UHFFFAOYSA-N 0 0 408.239 4.311 10 0 HIAERN O=c1nc(-c2ccccc2)c2nc(N3CCCC3)sc2n1Cc1cccc(F)c1 ZINC000032615308 527496246 /nfs/dbraw/zinc/49/62/46/527496246.db2.gz LLFZOZQPXPUTTE-UHFFFAOYSA-N 0 0 406.486 4.308 10 0 HIAERN COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)C(C)C)N(Cc1cccc(F)c1)CC2 ZINC000034855757 557477109 /nfs/dbraw/zinc/47/71/09/557477109.db2.gz GSMFCAOVTQWUFI-MWTRTKDXSA-N 0 0 414.521 4.103 10 0 HIAERN Cc1ccc(CNC(=O)c2ccc(Cn3c4cc(C)c(C)cc4nc(C)c3=O)cc2)o1 ZINC000033006049 558827755 /nfs/dbraw/zinc/82/77/55/558827755.db2.gz SGEIXIDSZMLNAK-UHFFFAOYSA-N 0 0 415.493 4.201 10 0 HIAERN Cc1ccc(-c2noc3c2ncn(CCC(=O)Nc2c(C)cccc2C)c3=O)cc1 ZINC000033277581 559041030 /nfs/dbraw/zinc/04/10/30/559041030.db2.gz QOFKQTGEIXWVLD-UHFFFAOYSA-N 0 0 402.454 4.006 10 0 HIAERN O=C([O-])C1CC[NH+](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000725240782 559067661 /nfs/dbraw/zinc/06/76/61/559067661.db2.gz BZKJNRKVTTWTKW-UHFFFAOYSA-N 0 0 422.525 4.102 10 0 HIAERN C[C@H]1CCCC[C@H]1NC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000103581459 559156373 /nfs/dbraw/zinc/15/63/73/559156373.db2.gz DIKVPKKFSRNKHD-OHOGDBNVSA-N 0 0 413.905 4.232 10 0 HIAERN CCOc1cc(/C=C2/SC(=N)NC2=O)ccc1OCCOc1ccccc1Cl ZINC000033419800 559190567 /nfs/dbraw/zinc/19/05/67/559190567.db2.gz MQPRVUZSKQCXLE-LDADJPATSA-N 0 0 418.902 4.335 10 0 HIAERN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(NC(=O)CC(C)(C)C)c2)NC(=S)N1C ZINC000004926418 559207876 /nfs/dbraw/zinc/20/78/76/559207876.db2.gz YJLSNHLAHXTUOP-LJQANCHMSA-N 0 0 417.575 4.148 10 0 HIAERN CCN1c2cc(C(=O)N(C)C3CCCCC3)ccc2[S@](=O)c2ccccc2C1=O ZINC000005058536 559238834 /nfs/dbraw/zinc/23/88/34/559238834.db2.gz ZUDJFBVICUDVEE-LJAQVGFWSA-N 0 0 410.539 4.238 10 0 HIAERN CCCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1 ZINC000226855340 559274111 /nfs/dbraw/zinc/27/41/11/559274111.db2.gz LRTFUHOOYWKIBT-UHFFFAOYSA-N 0 0 415.296 4.435 10 0 HIAERN Cc1ccc(C)c(NC(=O)NCCn2cnc3cc(C(=O)NC4CCCC4)ccc32)c1 ZINC000021653740 568730831 /nfs/dbraw/zinc/73/08/31/568730831.db2.gz JJUBJIWMRPIIRO-UHFFFAOYSA-N 0 0 419.529 4.147 10 0 HIAERN COc1c(C)cc(C(=O)N2CCO[C@H](COc3ccc(Cl)c(C)c3)C2)cc1C ZINC000022627816 568756629 /nfs/dbraw/zinc/75/66/29/568756629.db2.gz AANUYADQHOHSNT-IBGZPJMESA-N 0 0 403.906 4.194 10 0 HIAERN Cc1cccc(-c2ccc(N3CCC[C@H](C(=O)Nc4ccc5c(c4)OCO5)C3)nn2)c1 ZINC000035398234 569035109 /nfs/dbraw/zinc/03/51/09/569035109.db2.gz OYXYORAQVXKKKW-SFHVURJKSA-N 0 0 416.481 4.036 10 0 HIAERN COc1cccc([C@H]2SCCN2S(=O)(=O)c2ccc3ccccc3c2)c1OC ZINC000035817053 569061418 /nfs/dbraw/zinc/06/14/18/569061418.db2.gz OSPOYVYVKFNFMZ-OAQYLSRUSA-N 0 0 415.536 4.293 10 0 HIAERN COc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)C(C)C)cc2)c(OC)c1 ZINC000006834665 569148719 /nfs/dbraw/zinc/14/87/19/569148719.db2.gz RPHFEXUKDIQFET-OAQYLSRUSA-N 0 0 400.500 4.077 10 0 HIAERN COc1ccc(NC(=O)c2cc3c(n2C)CCN(Cc2cccc(C)c2)C3)c(OC)c1 ZINC000065210882 569196307 /nfs/dbraw/zinc/19/63/07/569196307.db2.gz YMRXMRDZHQSTNB-UHFFFAOYSA-N 0 0 419.525 4.161 10 0 HIAERN CCNC(=O)CCc1c(C)nn(-c2ccc(OC)cc2)c1Oc1ccc(OC)cc1 ZINC000037278639 569246041 /nfs/dbraw/zinc/24/60/41/569246041.db2.gz SUUYFPPKVORGJK-UHFFFAOYSA-N 0 0 409.486 4.059 10 0 HIAERN Cc1cc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc(Br)c1O ZINC000226243538 569278858 /nfs/dbraw/zinc/27/88/58/569278858.db2.gz FDWOUVNSCRBCEI-UHFFFAOYSA-N 0 0 413.724 4.172 10 0 HIAERN CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3cc(OC)c(OC)c(OC)c3)nc2c1 ZINC000226283818 569279051 /nfs/dbraw/zinc/27/90/51/569279051.db2.gz HPTVPCVSTFATSA-UHFFFAOYSA-N 0 0 424.375 4.436 10 0 HIAERN COc1ccc(OC)c([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000003098449 569356767 /nfs/dbraw/zinc/35/67/67/569356767.db2.gz NEBTZYWFQXGDAE-JOCHJYFZSA-N 0 0 411.498 4.158 10 0 HIAERN CC(C)C(=O)Nc1ccc(NC(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3)c2)cc1 ZINC000328606314 569418420 /nfs/dbraw/zinc/41/84/20/569418420.db2.gz RATJCXZMERZJHH-FCHUYYIVSA-N 0 0 418.497 4.183 10 0 HIAERN Cn1cc(C(N)=O)c([C@@H]2CCCN(C(=O)c3ccccc3Nc3ccccc3)C2)n1 ZINC000328607332 569418850 /nfs/dbraw/zinc/41/88/50/569418850.db2.gz VQELJROTGSYARM-MRXNPFEDSA-N 0 0 403.486 4.067 10 0 HIAERN Cn1cc(C(N)=O)c([C@H]2CCCN(C(=O)c3ccccc3Nc3ccccc3)C2)n1 ZINC000328607331 569418967 /nfs/dbraw/zinc/41/89/67/569418967.db2.gz VQELJROTGSYARM-INIZCTEOSA-N 0 0 403.486 4.067 10 0 HIAERN CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)N(c2ccccc2)c2ccccc2)C1 ZINC000328607898 569419212 /nfs/dbraw/zinc/41/92/12/569419212.db2.gz XFCVYXWIIGCCDN-SFHVURJKSA-N 0 0 417.513 4.249 10 0 HIAERN Cc1cccn2c(CN3CCC[C@H]3c3nccs3)c(C(=O)N3CCCCC3)nc12 ZINC000019790929 569429808 /nfs/dbraw/zinc/42/98/08/569429808.db2.gz AEIYXIHOQYGADL-KRWDZBQOSA-N 0 0 409.559 4.062 10 0 HIAERN CC(C)n1c(=O)c(-c2ccc(C(=O)Nc3ccccc3F)cc2)nc2cccnc21 ZINC000033170304 571309062 /nfs/dbraw/zinc/30/90/62/571309062.db2.gz ZEIWODNJRRGPON-UHFFFAOYSA-N 0 0 402.429 4.431 10 0 HIAERN COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)N(Cc2cccs2)C3)cc1 ZINC000096111889 291266310 /nfs/dbraw/zinc/26/63/10/291266310.db2.gz XPJARSZBLOYOKM-UGKGYDQZSA-N 0 0 420.534 4.325 10 0 HIAERN C[C@H]1CCCCN1C(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000012112106 132354108 /nfs/dbraw/zinc/35/41/08/132354108.db2.gz WUXGNHXEOJTCRA-SFHVURJKSA-N 0 0 404.558 4.250 10 0 HIAERN O=S(=O)(Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)c1ccc(F)cc1 ZINC000032609953 527251373 /nfs/dbraw/zinc/25/13/73/527251373.db2.gz AGPZRARYQOYFND-UHFFFAOYSA-N 0 0 413.405 4.483 10 0 HIAERN Cc1cc([C@H]2CC[C@H](C(=O)NC3CC3)CN2C(=O)NCc2ccccc2)ccc1F ZINC000034716494 557429871 /nfs/dbraw/zinc/42/98/71/557429871.db2.gz NZSMXGRGDRQNOZ-SIKLNZKXSA-N 0 0 409.505 4.076 10 0 HIAERN COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)C(C)C)N(Cc1ccc(F)cc1)CC2 ZINC000034855748 557477090 /nfs/dbraw/zinc/47/70/90/557477090.db2.gz OXCSTBMTNIMBRJ-QMHKHESXSA-N 0 0 414.521 4.103 10 0 HIAERN Cc1ccc2[nH]c(SCC(=O)OCC(=O)c3ccc(Br)cc3)nc2c1 ZINC000020407762 558360390 /nfs/dbraw/zinc/36/03/90/558360390.db2.gz STFDWRGFEMPCDZ-UHFFFAOYSA-N 0 0 419.300 4.152 10 0 HIAERN CCC[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2ON1c1ccc(Cl)c(Cl)c1 ZINC000013467548 558533483 /nfs/dbraw/zinc/53/34/83/558533483.db2.gz XOGPKSZIPVZNBU-KSZLIROESA-N 0 0 405.281 4.472 10 0 HIAERN CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc32)c1CNCc1ccco1 ZINC000014984425 558692609 /nfs/dbraw/zinc/69/26/09/558692609.db2.gz PWNDXPHJMRBXOR-UHFFFAOYSA-N 0 0 410.861 4.133 10 0 HIAERN O=C(c1cccc(-c2ccco2)c1)N1CCC(=O)N(Cc2ccccc2Cl)CC1 ZINC000014989548 558693696 /nfs/dbraw/zinc/69/36/96/558693696.db2.gz LSYWUPAINURQBR-UHFFFAOYSA-N 0 0 408.885 4.475 10 0 HIAERN CCOc1cc([C@H]2c3c(C)[nH]nc3NC(C)=C2C(=O)Nc2ccccc2)ccc1O ZINC000072332686 558892801 /nfs/dbraw/zinc/89/28/01/558892801.db2.gz SHCSNZGUAOAFEN-NRFANRHFSA-N 0 0 404.470 4.293 10 0 HIAERN CC[N@@H+]1CCC[C@H]1CN(CCC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725241044 559068040 /nfs/dbraw/zinc/06/80/40/559068040.db2.gz SXPGGRXGGIDBPU-SFHVURJKSA-N 0 0 422.525 4.197 10 0 HIAERN Fc1ccc2[nH]c([C@@H]3CCCN3Cc3c[nH]nc3-c3ccc4c(c3)OCO4)nc2c1 ZINC000011936661 559268746 /nfs/dbraw/zinc/26/87/46/559268746.db2.gz KIQFODCWSTZAJV-SFHVURJKSA-N 0 0 405.433 4.158 10 0 HIAERN COc1ccc(C)cc1NC(=O)N1CC[C@@H](c2nc3ccncc3n2CC(C)C)C1 ZINC000096125392 568639811 /nfs/dbraw/zinc/63/98/11/568639811.db2.gz MBSFDLOXTBFEFS-QGZVFWFLSA-N 0 0 407.518 4.426 10 0 HIAERN Cc1ccc2ncc(C(=O)c3ccc(C)c(C)c3)c(N3CCC(C(N)=O)CC3)c2c1 ZINC000036058130 569084648 /nfs/dbraw/zinc/08/46/48/569084648.db2.gz VTLNFCRFRSVSSU-UHFFFAOYSA-N 0 0 401.510 4.093 10 0 HIAERN CCOc1ccc2c(c1)[C@H](OC(=O)c1cn(C)c(=O)c3ccccc13)CC(C)(C)O2 ZINC000064977243 569140037 /nfs/dbraw/zinc/14/00/37/569140037.db2.gz QKBRLYXYFVLIAS-OAQYLSRUSA-N 0 0 407.466 4.396 10 0 HIAERN C[C@@H](O)c1ccc(NC(=O)c2cc(I)ccc2Cl)cc1 ZINC000226273185 569279070 /nfs/dbraw/zinc/27/90/70/569279070.db2.gz PRTANXQZRZRWPQ-SECBINFHSA-N 0 0 401.631 4.250 10 0 HIAERN O=C1c2ccccc2CN1c1ccc(-c2nn3c(nnc3C(F)(F)F)s2)cc1 ZINC000226287133 569279181 /nfs/dbraw/zinc/27/91/81/569279181.db2.gz CSXNNQNYESQMMH-UHFFFAOYSA-N 0 0 401.373 4.032 10 0 HIAERN O=C(CCC1CCCC1)N1CCN(c2cc(Oc3ccc(F)c(F)c3)ncn2)CC1 ZINC000037356400 571313862 /nfs/dbraw/zinc/31/38/62/571313862.db2.gz VCCZPBWARLUDFJ-UHFFFAOYSA-N 0 0 416.472 4.166 10 0 HIAERN COc1ccccc1OCc1nc(CN(C(=O)Cc2ccccc2)C2CC2)cs1 ZINC000036105826 571313876 /nfs/dbraw/zinc/31/38/76/571313876.db2.gz FNXABYMKINXWAC-UHFFFAOYSA-N 0 0 408.523 4.464 10 0 HIAERN C[C@@H]1CCCCN1CN1c2ccccc2C2(OCC(C)(c3ccccc3)CO2)C1=O ZINC000020569929 524112361 /nfs/dbraw/zinc/11/23/61/524112361.db2.gz NPHMEKFBMIWLEY-PNEAOOGRSA-N 0 0 406.526 4.023 10 0 HIAERN COc1cccc(/C=C2/SC(=N)NC2=O)c1OCCCOc1cccc(C)c1C ZINC000041078001 525766445 /nfs/dbraw/zinc/76/64/45/525766445.db2.gz FQPFFRMWJZGGFY-CPNJWEJPSA-N 0 0 412.511 4.299 10 0 HIAERN COc1cccc(OC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c1 ZINC000041077660 526213440 /nfs/dbraw/zinc/21/34/40/526213440.db2.gz OSOKBOLWBICKLA-UHFFFAOYSA-N 0 0 421.272 4.205 10 0 HIAERN O=C(Cn1nc(Cc2ccccc2)c2ccccc2c1=O)Nc1ccccc1Cl ZINC000032647197 527415240 /nfs/dbraw/zinc/41/52/40/527415240.db2.gz DWZXEEUTULVZOH-UHFFFAOYSA-N 0 0 403.869 4.279 10 0 HIAERN Cn1nc(NC2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Br)cc21 ZINC000089197421 527557270 /nfs/dbraw/zinc/55/72/70/527557270.db2.gz LAAMCOXIDCSIFW-UHFFFAOYSA-N 0 0 409.328 4.147 10 0 HIAERN CC[C@@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)n1sc2ccccc2c1=O ZINC000006780778 535403466 /nfs/dbraw/zinc/40/34/66/535403466.db2.gz SRVHNVHMCRCQCE-SFHVURJKSA-N 0 0 415.946 4.016 10 0 HIAERN Cc1ccc(F)c(CC(=O)N2CCO[C@@H](COc3ccc4c(c3)CCCC4)C2)c1F ZINC000022633000 557299204 /nfs/dbraw/zinc/29/92/04/557299204.db2.gz YFMDMVCWYMQNBA-HXUWFJFHSA-N 0 0 415.480 4.001 10 0 HIAERN COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)C(C)C)N(Cc1ccc(F)cc1)CC2 ZINC000034855749 557477120 /nfs/dbraw/zinc/47/71/20/557477120.db2.gz OXCSTBMTNIMBRJ-WAIKUNEKSA-N 0 0 414.521 4.103 10 0 HIAERN CCN(Cc1ccccc1)C(=O)c1sc2ncnc(NC[C@H]3CCCO3)c2c1C ZINC000014985285 558692615 /nfs/dbraw/zinc/69/26/15/558692615.db2.gz CIPKAAMSXVJGBO-QGZVFWFLSA-N 0 0 410.543 4.253 10 0 HIAERN Cc1c(CCNC(=O)CC[C@@]2(C)CCC(=O)N2)c2ccccc2n1-c1ccccc1 ZINC000014999446 558696960 /nfs/dbraw/zinc/69/69/60/558696960.db2.gz FQWHBJBRDJEJKG-VWLOTQADSA-N 0 0 403.526 4.047 10 0 HIAERN COc1ccc(-c2cnn3c2ncc(C(=O)NCCCCc2ccccc2)c3C)cc1 ZINC000023436441 559174187 /nfs/dbraw/zinc/17/41/87/559174187.db2.gz BXJXRSZKWPORLF-UHFFFAOYSA-N 0 0 414.509 4.466 10 0 HIAERN Cc1nc2ccccn2c1-c1nnc2sc(Cc3cccc(C(F)(F)F)c3)nn21 ZINC000227143248 559274210 /nfs/dbraw/zinc/27/42/10/559274210.db2.gz XHNWKONZXCTRPN-UHFFFAOYSA-N 0 0 414.416 4.419 10 0 HIAERN O=c1c2ccccc2n2c(-c3ccc(F)c(F)c3)nnc2n1Cc1ccc(F)cc1 ZINC000006781213 568459246 /nfs/dbraw/zinc/45/92/46/568459246.db2.gz CPQRYTWODZIVDI-UHFFFAOYSA-N 0 0 406.367 4.177 10 0 HIAERN Cn1c2oc(NC3CCCCC3)c(-c3c(F)cccc3Cl)c2c(=O)n(C)c1=O ZINC000095116705 568596092 /nfs/dbraw/zinc/59/60/92/568596092.db2.gz SOFYSPMMPYNXQX-UHFFFAOYSA-N 0 0 405.857 4.034 10 0 HIAERN COc1cc(Nc2nc(C(=O)N3CCCCC3)cc3occc32)cc(OC)c1OC ZINC000096323741 568732740 /nfs/dbraw/zinc/73/27/40/568732740.db2.gz TYMUAWFFLDTMCO-UHFFFAOYSA-N 0 0 411.458 4.223 10 0 HIAERN O=S(=O)(Nc1ccc2ccccc2c1)c1ccc(I)cc1 ZINC000226855416 568824508 /nfs/dbraw/zinc/82/45/08/568824508.db2.gz SHQVQLLJDROYBR-UHFFFAOYSA-N 0 0 409.248 4.245 10 0 HIAERN COc1ccc([C@@H]2[C@@H](C(=O)Nc3cccc(OC)c3)c3ccccc3C(=O)N2C)cc1 ZINC000003657704 568923103 /nfs/dbraw/zinc/92/31/03/568923103.db2.gz XQOFNSHQYSDYLK-XZOQPEGZSA-N 0 0 416.477 4.253 10 0 HIAERN O=C(CCOC(=O)c1ccccc1C(=O)c1ccc(F)cc1)OCc1ccccc1 ZINC000583653032 569009379 /nfs/dbraw/zinc/00/93/79/569009379.db2.gz XIIAONGQDGNDBQ-UHFFFAOYSA-N 0 0 406.409 4.347 10 0 HIAERN O=C(Nc1ccccc1C(F)(F)F)c1cc(-n2cnnc2)ccc1Br ZINC000035684126 569049090 /nfs/dbraw/zinc/04/90/90/569049090.db2.gz XGSOOUNYXWCPAU-UHFFFAOYSA-N 0 0 411.181 4.301 10 0 HIAERN CN(C)c1nc(N2CCCCC2)ncc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000224145325 569052846 /nfs/dbraw/zinc/05/28/46/569052846.db2.gz XVRSWVSSWNAZFS-UHFFFAOYSA-N 0 0 408.428 4.196 10 0 HIAERN CC[C@@H](C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000035724395 569053331 /nfs/dbraw/zinc/05/33/31/569053331.db2.gz XCABYOKIEPFHKC-RHSMWYFYSA-N 0 0 409.515 4.380 10 0 HIAERN Cc1ccc(NC(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1C ZINC000224268889 569056676 /nfs/dbraw/zinc/05/66/76/569056676.db2.gz PZEHYVSQIQKRGA-UHFFFAOYSA-N 0 0 402.502 4.064 10 0 HIAERN COCCNc1c(-c2cccc(F)c2)nc2sc(C(=O)NC3CCCC3)c(C)n21 ZINC000064761189 569091185 /nfs/dbraw/zinc/09/11/85/569091185.db2.gz MEGUGXBKFFCVTG-UHFFFAOYSA-N 0 0 416.522 4.241 10 0 HIAERN CCc1cc(I)ccc1NC(=O)c1ccc(N)cc1Cl ZINC000226269040 569278914 /nfs/dbraw/zinc/27/89/14/569278914.db2.gz NHYOXVUNNFZGNB-UHFFFAOYSA-N 0 0 400.647 4.342 10 0 HIAERN COc1cc(-c2nc3ccc(N(C)C(=O)C(F)(F)F)cc3o2)cc(OC)c1OC ZINC000226271847 569279032 /nfs/dbraw/zinc/27/90/32/569279032.db2.gz RMNJJCQWSNWXBZ-UHFFFAOYSA-N 0 0 410.348 4.046 10 0 HIAERN O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CCN(Cc2cccnc2)CC1 ZINC000019771203 569429675 /nfs/dbraw/zinc/42/96/75/569429675.db2.gz RSWDHCPPRZEURR-UHFFFAOYSA-N 0 0 404.514 4.229 10 0 HIAERN O=C(c1ccccc1)N1CCC[C@@H](COc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000033311248 571309347 /nfs/dbraw/zinc/30/93/47/571309347.db2.gz YNSSGDFDGGNQQF-HXUWFJFHSA-N 0 0 406.526 4.244 10 0 HIAERN COc1ccc(Sc2ccc(Cl)cc2N2CC[N@H+](CC(=O)[O-])[C@H](C)C2)cc1 ZINC000003961882 132269542 /nfs/dbraw/zinc/26/95/42/132269542.db2.gz RXLKHTMQOSDEFY-CQSZACIVSA-N 0 0 406.935 4.095 10 0 HIAERN CCOc1ccc(NC(=O)[C@@H]2CCCN(c3nc(C)nc4oc(C)c(C)c43)C2)cc1 ZINC000032960263 521105277 /nfs/dbraw/zinc/10/52/77/521105277.db2.gz YGAHELCUSAVEMR-QGZVFWFLSA-N 0 0 408.502 4.402 10 0 HIAERN Cc1ccccc1Cn1c2sc(N3CCCC3)nc2c(-c2ccccc2)nc1=O ZINC000032615268 525211187 /nfs/dbraw/zinc/21/11/87/525211187.db2.gz RZLWBFHYECENRN-UHFFFAOYSA-N 0 0 402.523 4.477 10 0 HIAERN Cc1ccc(Nc2nc(Nc3ccc4ncccc4c3)nc(N3CCOCC3)n2)cc1 ZINC000032603968 525326696 /nfs/dbraw/zinc/32/66/96/525326696.db2.gz AZHMUISRKCAHJN-UHFFFAOYSA-N 0 0 413.485 4.052 10 0 HIAERN Cc1c(Cl)c(C(=O)Nc2ccc(Br)cc2Br)nn1C ZINC000032610669 525743519 /nfs/dbraw/zinc/74/35/19/525743519.db2.gz IOORVBMFRGJTLW-UHFFFAOYSA-N 0 0 407.493 4.159 10 0 HIAERN COc1ccc([C@@H]2CC(=O)N(CC(=O)NCc3ccco3)c3ccccc3S2)cc1 ZINC000020355837 558357153 /nfs/dbraw/zinc/35/71/53/558357153.db2.gz GCYHCRKJQDSZSU-NRFANRHFSA-N 0 0 422.506 4.175 10 0 HIAERN CCc1ccccc1NC(=O)N1CCC(N2CCN(Cc3ccccc3)C2=O)CC1 ZINC000064988950 558545717 /nfs/dbraw/zinc/54/57/17/558545717.db2.gz QLXIPKNPYBPRTK-UHFFFAOYSA-N 0 0 406.530 4.183 10 0 HIAERN Cc1csc([C@@H](C)N(C)C(=O)c2cc(-c3cnn(C)c3)nc3cc(F)ccc32)n1 ZINC000023250362 558545964 /nfs/dbraw/zinc/54/59/64/558545964.db2.gz TYFWHQJRZYZTSC-CYBMUJFWSA-N 0 0 409.490 4.373 10 0 HIAERN COCCn1cc2c3c1cccc3CN(C(=O)c1ccc(Br)cc1)CC2 ZINC000065148697 558640085 /nfs/dbraw/zinc/64/00/85/558640085.db2.gz SNRWUULSROQGSV-UHFFFAOYSA-N 0 0 413.315 4.249 10 0 HIAERN CCC(=O)N1CCN(C(=O)c2cc3ccsc3n2[C@H](C)c2ccccc2)C[C@@H]1C ZINC000004527395 558653875 /nfs/dbraw/zinc/65/38/75/558653875.db2.gz XYINSWNATDLYHP-DLBZAZTESA-N 0 0 409.555 4.395 10 0 HIAERN COc1cccc([C@H]2Nc3ccccc3C(=O)N2CCOc2ccccc2)c1OC ZINC000016228194 558780121 /nfs/dbraw/zinc/78/01/21/558780121.db2.gz NBLYXWZSUMSDIC-QHCPKHFHSA-N 0 0 404.466 4.349 10 0 HIAERN O=C(Nc1cc(F)cc(F)c1)C1CCN(c2ccnc(-c3cccc(F)c3)n2)CC1 ZINC000033025077 558844973 /nfs/dbraw/zinc/84/49/73/558844973.db2.gz DOSWQGAYCWMJJG-UHFFFAOYSA-N 0 0 412.415 4.416 10 0 HIAERN COc1cc(CNC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc(OC)c1 ZINC000023334509 559172586 /nfs/dbraw/zinc/17/25/86/559172586.db2.gz SCJNWQYINPHQBL-UHFFFAOYSA-N 0 0 411.479 4.134 10 0 HIAERN CCOc1cc(/C=C2/SC(=N)NC2=O)ccc1OCCOc1cc(C)cc(C)c1 ZINC000033419768 559190548 /nfs/dbraw/zinc/19/05/48/559190548.db2.gz FGEMCJMZDXPSNF-DEDYPNTBSA-N 0 0 412.511 4.299 10 0 HIAERN COc1ccccc1[S@](=O)Cc1ccc(C(=O)NCc2ccccc2Cl)o1 ZINC000005042418 559235921 /nfs/dbraw/zinc/23/59/21/559235921.db2.gz BJZHTCXXJVVXAR-MHZLTWQESA-N 0 0 403.887 4.179 10 0 aggregator HIAERN COC(=O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc21 ZINC000113388664 568450142 /nfs/dbraw/zinc/45/01/42/568450142.db2.gz OVYPPWNJXUSRPH-UHFFFAOYSA-N 0 0 418.316 4.326 10 0 HIAERN CCc1c(C(=O)N2CCN(CC)CC2)c(CC(C)C)nn1-c1cccc(Cl)c1 ZINC000096299838 568722915 /nfs/dbraw/zinc/72/29/15/568722915.db2.gz ATVJFAHYWRQIMC-UHFFFAOYSA-N 0 0 402.970 4.064 10 0 HIAERN O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(-n2cnnc2)ccc1Br ZINC000035684125 569049106 /nfs/dbraw/zinc/04/91/06/569049106.db2.gz MHQOUFUFTPOKSJ-UHFFFAOYSA-N 0 0 411.181 4.301 10 0 HIAERN COc1ccc(Cl)cc1NC(=O)NCCc1nc2cccnc2n1CC(C)C ZINC000064714720 569085337 /nfs/dbraw/zinc/08/53/37/569085337.db2.gz KOCATEMADUPVEE-UHFFFAOYSA-N 0 0 401.898 4.114 10 0 HIAERN C[C@@H](NC(=O)CCNc1c(-c2cccc(F)c2)nc2cnccn21)c1cccs1 ZINC000064759320 569090707 /nfs/dbraw/zinc/09/07/07/569090707.db2.gz DDZQPLCFCDZYHO-CQSZACIVSA-N 0 0 409.490 4.276 10 0 HIAERN CCCOc1cccc(C(=O)NC(=S)Nc2cc(C)c(O)c(Br)c2)c1 ZINC000226243886 569278769 /nfs/dbraw/zinc/27/87/69/569278769.db2.gz LDGHANSCNGVUIH-UHFFFAOYSA-N 0 0 423.332 4.379 10 0 HIAERN Cc1cc(N)c(N2CCOCC2)cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000226264082 569278924 /nfs/dbraw/zinc/27/89/24/569278924.db2.gz HBOBVSBMOAJVCD-UHFFFAOYSA-N 0 0 401.510 4.184 10 0 HIAERN CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3cc(OC)c(OC)c(OC)c3)oc2c1 ZINC000226284057 569279190 /nfs/dbraw/zinc/27/91/90/569279190.db2.gz NZCUSPORRVCIGI-UHFFFAOYSA-N 0 0 424.375 4.436 10 0 HIAERN CC(C)=CCc1cc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)cc(CC=C(C)C)c1O ZINC000140338331 291261581 /nfs/dbraw/zinc/26/15/81/291261581.db2.gz HWOOKQWPXZROBV-LOSJGSFVSA-N 0 0 424.493 4.498 10 0 HIAERN Cc1ccccc1Nc1nc2nc(Nc3ccccc3C)nc(N3CCOCC3)c2[nH]1 ZINC000036401815 132227936 /nfs/dbraw/zinc/22/79/36/132227936.db2.gz MBHNXRCLNUGYBZ-UHFFFAOYSA-N 0 0 415.501 4.294 10 0 HIAERN Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2nc(C)nc(N3CCCCC3)c12 ZINC000002924085 132259716 /nfs/dbraw/zinc/25/97/16/132259716.db2.gz JNKLPVCUGKIWTK-UHFFFAOYSA-N 0 0 424.526 4.322 10 0 HIAERN Cc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)cc1C ZINC000004575648 132279332 /nfs/dbraw/zinc/27/93/32/132279332.db2.gz UMRYMGLLFZSQLW-ZONQUTDGSA-N 0 0 421.541 4.442 10 0 HIAERN Cc1nc(N2CCC(C(=O)NCCc3ccccc3)CC2)nc2cc3c(cc12)CCC3 ZINC000012182688 132355929 /nfs/dbraw/zinc/35/59/29/132355929.db2.gz BDKZMHOQOZSMFV-UHFFFAOYSA-N 0 0 414.553 4.002 10 0 HIAERN Cc1ccc2c(C)nc(N3CCC(C(=O)N[C@H](C)Cc4cccs4)CC3)nc2c1 ZINC000012212634 132356912 /nfs/dbraw/zinc/35/69/12/132356912.db2.gz XADDKNIMHJSMIO-MRXNPFEDSA-N 0 0 408.571 4.272 10 0 HIAERN Cc1nc(N2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)nc2ccccc12 ZINC000014998923 132460897 /nfs/dbraw/zinc/46/08/97/132460897.db2.gz FMQKLKJDCWPIIN-HSZRJFAPSA-N 0 0 400.526 4.348 10 0 HIAERN Cc1cccc(-c2nnc(NC(=O)CCNC(=O)c3cccc4ccccc43)s2)c1 ZINC000040368297 524123660 /nfs/dbraw/zinc/12/36/60/524123660.db2.gz VPICYMMCIQWWEP-UHFFFAOYSA-N 0 0 416.506 4.425 10 0 HIAERN COc1ccc(OC)c(NC(=O)Nc2cnn(Cc3ccc(F)cc3Cl)c2)c1 ZINC000028305097 524862175 /nfs/dbraw/zinc/86/21/75/524862175.db2.gz LPAMMWQTEHEZPC-UHFFFAOYSA-N 0 0 404.829 4.385 10 0 HIAERN Cc1nc2c(s1)n(CC(=O)Nc1cccc(C)c1C)c(=O)nc2-c1ccccc1 ZINC000032616553 527113540 /nfs/dbraw/zinc/11/35/40/527113540.db2.gz KYJSWLVPELOBCQ-UHFFFAOYSA-N 0 0 404.495 4.084 10 0 HIAERN O=C(NC1CCCCC1)[C@@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c32)C1 ZINC000020575227 527515505 /nfs/dbraw/zinc/51/55/05/527515505.db2.gz UUNKWJXWSUFLJE-MRXNPFEDSA-N 0 0 423.492 4.089 10 0 HIAERN Cc1ccc(N2CCN(Cc3cccc(C(=O)NCc4ccc(F)cc4)c3)CC2)cc1 ZINC000034668287 557362040 /nfs/dbraw/zinc/36/20/40/557362040.db2.gz YAZTUULDGVMHOQ-UHFFFAOYSA-N 0 0 417.528 4.386 10 0 HIAERN CCn1ccnc1CN1CCC[C@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000012316520 558380005 /nfs/dbraw/zinc/38/00/05/558380005.db2.gz SBCKLVMLWQHTQF-MRXNPFEDSA-N 0 0 404.942 4.196 10 0 HIAERN Cc1cc(C)c2c(c1)nc(C)cc2C(=O)N1CCC(=O)N(Cc2ccccc2C)CC1 ZINC000014991708 558694752 /nfs/dbraw/zinc/69/47/52/558694752.db2.gz CRYLZWZSKWKQMZ-UHFFFAOYSA-N 0 0 415.537 4.343 10 0 HIAERN O=C(Nc1ccccc1)Nc1ccc2c(c1)C[C@@H](C(=O)NCc1ccc(F)cc1)CO2 ZINC000033121663 558878648 /nfs/dbraw/zinc/87/86/48/558878648.db2.gz XABHPIPTGVXUEV-GOSISDBHSA-N 0 0 419.456 4.337 10 0 HIAERN CCOc1ccc(NC(=O)CSc2ccc(=O)n(-c3ccc(C(C)C)cc3)n2)cc1 ZINC000033128426 558882286 /nfs/dbraw/zinc/88/22/86/558882286.db2.gz UUCBGDGXNNYJQF-UHFFFAOYSA-N 0 0 423.538 4.485 10 0 HIAERN CCOc1cc([C@@H]2c3c(C)[nH]nc3NC(C)=C2C(=O)Nc2ccccc2)ccc1O ZINC000072332685 558892897 /nfs/dbraw/zinc/89/28/97/558892897.db2.gz SHCSNZGUAOAFEN-OAQYLSRUSA-N 0 0 404.470 4.293 10 0 HIAERN Cc1cc(C)nc(S[C@H]2C[C@@H](C(=O)NC(C)C)N(Cc3cccc(Cl)c3)C2)n1 ZINC000064084050 558961958 /nfs/dbraw/zinc/96/19/58/558961958.db2.gz RLQKAAZKFDNABD-OALUTQOASA-N 0 0 418.994 4.007 10 0 HIAERN Fc1ccc2[nH]c([C@H]3CCCN3Cc3c[nH]nc3-c3ccc4c(c3)OCO4)nc2c1 ZINC000011936662 559268767 /nfs/dbraw/zinc/26/87/67/559268767.db2.gz KIQFODCWSTZAJV-GOSISDBHSA-N 0 0 405.433 4.158 10 0 HIAERN O=C([C@H]1CC=CCC1)N1CCOc2ccc(CN3CCc4sccc4C3)cc2C1 ZINC000012149813 560890416 /nfs/dbraw/zinc/89/04/16/560890416.db2.gz SZWLXCZYJQNUHW-IBGZPJMESA-N 0 0 408.567 4.384 10 0 HIAERN Cc1ccc(NC(=O)c2c(C)nc3sc(C(N)=O)c(N)c3c2-c2ccco2)c(C)c1 ZINC000004176475 568948857 /nfs/dbraw/zinc/94/88/57/568948857.db2.gz HBAWGATVKSBJBV-UHFFFAOYSA-N 0 0 420.494 4.415 10 0 HIAERN O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CO2)N1CCCc2ccccc21 ZINC000035377577 569034477 /nfs/dbraw/zinc/03/44/77/569034477.db2.gz ZIQIZGCUFKUUDD-UHFFFAOYSA-N 0 0 416.452 4.344 10 0 HIAERN O=C(Nc1ccc(Br)cc1)c1cc(-n2cnnc2)ccc1Br ZINC000035684124 569049136 /nfs/dbraw/zinc/04/91/36/569049136.db2.gz RQGZPTHMXMFPGO-UHFFFAOYSA-N 0 0 422.080 4.045 10 0 HIAERN Cc1ccc(CSc2nc(CC(=O)NCc3cccc(Cl)c3)cc(=O)[nH]2)cc1 ZINC000064567238 569067332 /nfs/dbraw/zinc/06/73/32/569067332.db2.gz MHGKFBYILOSQKB-UHFFFAOYSA-N 0 0 413.930 4.295 10 0 HIAERN O=C(CCC(=O)N1CCc2ccccc2C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000006750795 569109970 /nfs/dbraw/zinc/10/99/70/569109970.db2.gz RBCGSDWAOJRUOL-UHFFFAOYSA-N 0 0 413.521 4.149 10 0 HIAERN COc1ccc(CCNC(=O)c2c(C)cc(C)n2Cc2cccc(F)c2)cc1OC ZINC000006801315 569129061 /nfs/dbraw/zinc/12/90/61/569129061.db2.gz FRRYMBDSUBMTJO-UHFFFAOYSA-N 0 0 410.489 4.282 10 0 HIAERN O=C(COCc1ccccc1)NCCNc1nc(-c2ccccc2)nc2ccccc21 ZINC000006773255 569260278 /nfs/dbraw/zinc/26/02/78/569260278.db2.gz XONYFNBHWRDTMY-UHFFFAOYSA-N 0 0 412.493 4.042 10 0 HIAERN C[C@H](O)c1cccc(NC(=O)c2cc(I)ccc2Cl)c1 ZINC000226274262 569279036 /nfs/dbraw/zinc/27/90/36/569279036.db2.gz ZEDOTTJUQOGBOQ-VIFPVBQESA-N 0 0 401.631 4.250 10 0 HIAERN CCOC(=O)c1c(=O)[nH]c2c(C(=O)c3ccccc3)ccc3c2c1-c1ccccc1C3=O ZINC000008870473 571130287 /nfs/dbraw/zinc/13/02/87/571130287.db2.gz ZOBYRKNQTAWERO-UHFFFAOYSA-N 0 0 423.424 4.147 10 0 HIAERN CCCN(CCC)C(=O)[C@H]1COC2(CCC(C)CC2)N1C(=O)c1ccccc1F ZINC000034920954 571313722 /nfs/dbraw/zinc/31/37/22/571313722.db2.gz ZXVWRLOAJAKOIA-WEQDKIBNSA-N 0 0 404.526 4.222 10 0 HIAERN Nc1nnc(CCNC(=O)c2ccccc2SCc2ccccc2Cl)s1 ZINC000020202424 571314724 /nfs/dbraw/zinc/31/47/24/571314724.db2.gz SISCVIXGHWKTRY-UHFFFAOYSA-N 0 0 404.948 4.039 10 0 HIAERN CC1(C)[C@H](O)CC[C@@]2(C)[C@H](COc3ccc4ccc(=O)oc4c3)[C@](C)(O)CC[C@H]12 ZINC000001634552 291262140 /nfs/dbraw/zinc/26/21/40/291262140.db2.gz WNANPKYNOALKIV-KUNFZNJOSA-N 0 0 400.515 4.136 10 0 biogenic,in-vitro HIAERN CCC(=O)N(CC(=O)N1CCn2cccc2[C@H]1c1ccccc1Cl)C(C)(C)C ZINC000040388307 521085235 /nfs/dbraw/zinc/08/52/35/521085235.db2.gz FCKGEOHWYPGBEO-OAQYLSRUSA-N 0 0 401.938 4.110 10 0 HIAERN Cc1ccc([C@@H](C)NC(=O)c2cn(-c3ccc(NC(=O)CC(C)C)cn3)cn2)cc1 ZINC000033312511 525720862 /nfs/dbraw/zinc/72/08/62/525720862.db2.gz KVIPCRQGIFKYQR-QGZVFWFLSA-N 0 0 405.502 4.051 10 0 HIAERN COc1cccc(Cn2nc(C)c(NC(=O)c3ccc(Br)o3)c2C)c1 ZINC000032609750 526112374 /nfs/dbraw/zinc/11/23/74/526112374.db2.gz YSTVRAGDYBAKHG-UHFFFAOYSA-N 0 0 404.264 4.165 10 0 HIAERN Cc1nc2c(s1)n(CC(=O)Nc1ccc(Cl)cc1)c(=O)nc2-c1cccs1 ZINC000032616320 527113548 /nfs/dbraw/zinc/11/35/48/527113548.db2.gz ODAIWFJTWYJUOS-UHFFFAOYSA-N 0 0 416.915 4.182 10 0 HIAERN Cc1cccc(NC(=O)C(C(=O)Nc2cccc(C)c2)C(=O)Nc2cccc(C)c2)c1 ZINC000003147438 557451371 /nfs/dbraw/zinc/45/13/71/557451371.db2.gz GKJJOHXFSFXJLI-UHFFFAOYSA-N 0 0 415.493 4.444 10 0 HIAERN O=C(CC1CCCC1)N1CCC(c2ccn3ncc(C(=O)N4CCCCC4)c3c2)CC1 ZINC000065315665 558259766 /nfs/dbraw/zinc/25/97/66/558259766.db2.gz AYHLADWVSNDGDD-UHFFFAOYSA-N 0 0 422.573 4.247 10 0 HIAERN COCc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)c2cncs2)CC1 ZINC000299770807 558787568 /nfs/dbraw/zinc/78/75/68/558787568.db2.gz MTVJDNWZZFXMON-UHFFFAOYSA-N 0 0 424.448 4.135 10 0 HIAERN CCCN(CC(=O)Nc1nc(-c2ccccc2)cs1)C(=O)Cc1ccc(OC)cc1 ZINC000035450181 558792100 /nfs/dbraw/zinc/79/21/00/558792100.db2.gz WGGDKUWFBQBOOF-UHFFFAOYSA-N 0 0 423.538 4.239 10 0 HIAERN C[C@H]1S[C@]2(c3ccccc3N(CN3CCC(C)CC3)C2=O)N(c2ccccc2)C1=O ZINC000016609274 558796618 /nfs/dbraw/zinc/79/66/18/558796618.db2.gz UTCRHBORNRXUAI-KOSHJBKYSA-N 0 0 421.566 4.044 10 0 HIAERN COc1ccccc1CNC(=O)c1cn(CC(C)C)c(=O)c2c1c1ccccc1n2C ZINC000004788349 559064177 /nfs/dbraw/zinc/06/41/77/559064177.db2.gz HSNKTQNGCHIXLG-UHFFFAOYSA-N 0 0 417.509 4.088 10 0 HIAERN Cc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1C ZINC000169691936 560765585 /nfs/dbraw/zinc/76/55/85/560765585.db2.gz UMRYMGLLFZSQLW-ZSZPVPIUSA-N 0 0 421.541 4.442 10 0 HIAERN CCCC1([C@H](O)C/C=C/[C@H]2[C@@H](O)CC(=O)[C@H]2CCCCCCC(=O)OC)CCC1 ZINC000583439919 560774809 /nfs/dbraw/zinc/77/48/09/560774809.db2.gz XRISENIKJUKIHD-ZBTXBURRSA-N 0 0 408.579 4.344 10 0 HIAERN CC(C)c1ccc2c(c1)[C@@]1(C[C@H]1C(=O)Nc1c[nH]c(C(=O)N3CCCC3)c1)CCO2 ZINC000583623068 560776556 /nfs/dbraw/zinc/77/65/56/560776556.db2.gz OMDHBIPSUGMVJY-CYFREDJKSA-N 0 0 407.514 4.053 10 0 HIAERN COc1ccccc1CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1cccc(Cl)c1 ZINC000021716591 568749995 /nfs/dbraw/zinc/74/99/95/568749995.db2.gz FOWLOLIDYLGIJO-QFIPXVFZSA-N 0 0 420.896 4.362 10 0 HIAERN CCCCCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000003022139 568840597 /nfs/dbraw/zinc/84/05/97/568840597.db2.gz MVEPIOFHMHQQRN-UHFFFAOYSA-N 0 0 408.951 4.129 10 0 HIAERN COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)N1CC=C(c2ccccc2)CC1 ZINC000035453144 569037814 /nfs/dbraw/zinc/03/78/14/569037814.db2.gz FPSPYOWSMLVXAO-UHFFFAOYSA-N 0 0 410.495 4.137 10 0 HIAERN CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3[nH]ccc3c2)cc1 ZINC000669385202 569040376 /nfs/dbraw/zinc/04/03/76/569040376.db2.gz LMRKBTYVCWEUSB-JOCHJYFZSA-N 0 0 419.481 4.328 10 0 HIAERN CCSc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Br)cc1 ZINC000035684171 569049104 /nfs/dbraw/zinc/04/91/04/569049104.db2.gz XXNFKYNTZUETDM-UHFFFAOYSA-N 0 0 403.305 4.394 10 0 HIAERN Cc1ccc(NC(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)c(Cl)c1 ZINC000224270455 569056811 /nfs/dbraw/zinc/05/68/11/569056811.db2.gz RLZHLJMLPBBDFR-UHFFFAOYSA-N 0 0 422.920 4.409 10 0 HIAERN CC1=C(C(=O)Nc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)SCCO1 ZINC000006895056 569175168 /nfs/dbraw/zinc/17/51/68/569175168.db2.gz FDMPHCCKKZGZFB-FQEVSTJZSA-N 0 0 408.523 4.427 10 0 HIAERN O=C(Cc1cccc(F)c1)N1CCC[C@@H](c2ccnc(Nc3ccc(F)cc3)n2)C1 ZINC000065148265 569184387 /nfs/dbraw/zinc/18/43/87/569184387.db2.gz UHEDJYQUKSLGHU-QGZVFWFLSA-N 0 0 408.452 4.447 10 0 HIAERN COc1ccc2cc3cc(C(=O)N4CCN(c5ccccc5F)CC4)oc3nc2c1 ZINC000004907915 132292792 /nfs/dbraw/zinc/29/27/92/132292792.db2.gz DBPJGXRITLVYNO-UHFFFAOYSA-N 0 0 405.429 4.091 10 0 HIAERN Cc1ccc2c(C)nc(N3CCC[C@H](C(=O)N4CCc5sccc5C4)C3)nc2c1 ZINC000012150816 132355212 /nfs/dbraw/zinc/35/52/12/132355212.db2.gz IYDKLWSKOYCTBW-SFHVURJKSA-N 0 0 406.555 4.109 10 0 HIAERN CCN(C(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1)c1ccccc1 ZINC000020585151 520021450 /nfs/dbraw/zinc/02/14/50/520021450.db2.gz JDVXSBJJBMLZPJ-QGZVFWFLSA-N 0 0 409.917 4.265 10 0 HIAERN CCOc1cc(/C=C2/SC(=N)NC2=O)ccc1OCCCOc1ccccc1C ZINC000041077984 520623856 /nfs/dbraw/zinc/62/38/56/520623856.db2.gz AHHHCQZPWGOZJV-XSFVSMFZSA-N 0 0 412.511 4.380 10 0 HIAERN CCCCS(=O)(=O)Nc1c(C)nn(COc2cccc(C(F)(F)F)c2)c1C ZINC000032610210 520940291 /nfs/dbraw/zinc/94/02/91/520940291.db2.gz ZPSARUOCNMHKGH-UHFFFAOYSA-N 0 0 405.442 4.097 10 0 HIAERN COC(=O)c1ccc(-c2noc(CN3CCC[C@H]3c3nc4ccccc4s3)n2)cc1 ZINC000020540350 521931829 /nfs/dbraw/zinc/93/18/29/521931829.db2.gz SCSSJMVBCFDSAN-KRWDZBQOSA-N 0 0 420.494 4.470 10 0 HIAERN COc1cc2c(=O)[nH]c3c(C(=O)N4CCCCCC4)sc(=S)n3c2cc1OC ZINC000032946483 522991446 /nfs/dbraw/zinc/99/14/46/522991446.db2.gz APCJBPCRLHKOMH-UHFFFAOYSA-N 0 0 419.528 4.017 10 0 HIAERN COc1ccc(-c2nnn(CSC)c2C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000032611820 523269680 /nfs/dbraw/zinc/26/96/80/523269680.db2.gz ZXMWOTXKNCDXDM-UHFFFAOYSA-N 0 0 418.906 4.189 10 0 HIAERN Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000032946572 526217660 /nfs/dbraw/zinc/21/76/60/526217660.db2.gz FAQAUFODWQSQIP-UHFFFAOYSA-N 0 0 421.541 4.400 10 0 HIAERN Cc1nn(COc2cccc(F)c2)c(C)c1NC(=O)c1ccc(Br)o1 ZINC000032610186 526283942 /nfs/dbraw/zinc/28/39/42/526283942.db2.gz BTKLGSDIVJOOIL-UHFFFAOYSA-N 0 0 408.227 4.283 10 0 HIAERN O=C([O-])c1cccc(-c2cccc(NCC[NH2+]C[C@H](O)c3cccc(Cl)c3)c2)c1 ZINC000001547346 557271797 /nfs/dbraw/zinc/27/17/97/557271797.db2.gz LLDXOPKUNJTIRF-QFIPXVFZSA-N 0 0 410.901 4.440 10 0 investigational HIAERN Cc1cccc(CN2CCN(Cc3nc(C(=O)Nc4cc(C)ccc4F)co3)CC2)c1 ZINC000034678202 557366284 /nfs/dbraw/zinc/36/62/84/557366284.db2.gz BPGKCIZDGGCHHP-UHFFFAOYSA-N 0 0 422.504 4.001 10 0 HIAERN O=C(N[C@H](Cc1ccccc1)c1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2F)C1 ZINC000034918210 557483032 /nfs/dbraw/zinc/48/30/32/557483032.db2.gz MBAWLZDRJCTMOK-LADGPHEKSA-N 0 0 416.496 4.274 10 0 HIAERN C/C=C(\C)CN1C[C@H](Sc2ccccn2)C[C@H]1C(=O)Nc1ccc2nccnc2c1 ZINC000012030621 558311193 /nfs/dbraw/zinc/31/11/93/558311193.db2.gz UWQNATBWBSSIIY-BWJAFNJXSA-N 0 0 419.554 4.165 10 0 HIAERN C[C@H]([NH2+]C[C@H](O)C[P@](=O)([O-])Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000031393671 558750294 /nfs/dbraw/zinc/75/02/94/558750294.db2.gz ZODSPDOOCZZEIM-BBRMVZONSA-N 0 0 402.258 4.476 10 0 in-vitro HIAERN COC(=O)c1cc2sc(-c3ccc(Br)cc3)nc2c(C(=O)OC)c1 ZINC000073635644 558849199 /nfs/dbraw/zinc/84/91/99/558849199.db2.gz TUNKERIFBIADPB-UHFFFAOYSA-N 0 0 406.257 4.299 10 0 HIAERN O=C(Nc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 ZINC000077312930 558863112 /nfs/dbraw/zinc/86/31/12/558863112.db2.gz PCGSQNPMMSALEJ-UHFFFAOYSA-N 0 0 419.211 4.269 10 0 world HIAERN Cc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1C ZINC000103231007 559155005 /nfs/dbraw/zinc/15/50/05/559155005.db2.gz UMRYMGLLFZSQLW-CQIZUEJFSA-N 0 0 421.541 4.442 10 0 HIAERN Cc1cc(C(=O)OC(C)(C)C)cc2c1[C@H]([NH3+])C[C@@]1(CCN(C(=O)OC(C)(C)C)C1)O2 ZINC000725260895 559165934 /nfs/dbraw/zinc/16/59/34/559165934.db2.gz ZCUNEKWAJLRTPA-WAIKUNEKSA-N 0 0 418.534 4.112 10 0 HIAERN CC(C)N(CCc1nc(-c2ccc(Br)cc2)no1)C(=O)c1ccco1 ZINC000101086211 560775168 /nfs/dbraw/zinc/77/51/68/560775168.db2.gz AYCLMUVFEZMELT-UHFFFAOYSA-N 0 0 404.264 4.185 10 0 HIAERN COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)C1CC1)N(Cc1ccc(C)cc1)CC2 ZINC000103051868 560852837 /nfs/dbraw/zinc/85/28/37/560852837.db2.gz FYWWXFUVMITIEU-XDHUDOTRSA-N 0 0 408.542 4.026 10 0 HIAERN COc1cccc(OC)c1-c1cnnc(N(C)C[C@]2(c3ccccc3)CC2(C)C)n1 ZINC000014968225 568493912 /nfs/dbraw/zinc/49/39/12/568493912.db2.gz WDOWHHGLRUGYAM-DEOSSOPVSA-N 0 0 404.514 4.360 10 0 HIAERN CC[C@@H](C)N(CCc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)CCc1ccccc1 ZINC000096293536 568721803 /nfs/dbraw/zinc/72/18/03/568721803.db2.gz PNHKXGZCLLGKSK-QGZVFWFLSA-N 0 0 421.497 4.268 10 0 HIAERN COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)Cc2ncc[nH]2)cc1F ZINC000012433873 568722433 /nfs/dbraw/zinc/72/24/33/568722433.db2.gz WYSXXHSXJYPOSB-UHFFFAOYSA-N 0 0 405.477 4.351 10 0 HIAERN Clc1ccc(CN2CCc3nc(N4CCN(c5ccccc5)CC4)ncc3C2)cc1 ZINC000021640331 568727473 /nfs/dbraw/zinc/72/74/73/568727473.db2.gz LDAZWSVZRHYSOL-UHFFFAOYSA-N 0 0 419.960 4.015 10 0 HIAERN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)c2ocnc2C)C3)c1 ZINC000015001794 568729366 /nfs/dbraw/zinc/72/93/66/568729366.db2.gz FAMORTVEPJABMM-KRWDZBQOSA-N 0 0 408.429 4.034 10 0 HIAERN CCc1cccc(NC(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)c1 ZINC000224268731 569056656 /nfs/dbraw/zinc/05/66/56/569056656.db2.gz HGYSDWLZGUMWJV-UHFFFAOYSA-N 0 0 402.502 4.010 10 0 HIAERN COc1cccc(C(=O)N2CCC(c3cnn(-c4cccc(F)c4)c3)CC2)c1OC ZINC000065173103 569190097 /nfs/dbraw/zinc/19/00/97/569190097.db2.gz KODOUNHMFZJYGF-UHFFFAOYSA-N 0 0 409.461 4.048 10 0 HIAERN Cc1ccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2Cl)cc1 ZINC000003015276 569233720 /nfs/dbraw/zinc/23/37/20/569233720.db2.gz IVQJIBYZGCKXEH-UHFFFAOYSA-N 0 0 414.914 4.379 10 0 HIAERN O=C(Nc1ccc(F)cc1)c1coc(CN2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000034684696 571313610 /nfs/dbraw/zinc/31/36/10/571313610.db2.gz DYOKDRVRCWSVDU-UHFFFAOYSA-N 0 0 414.868 4.042 10 0 HIAERN O=C(Nc1nc2ccccc2s1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CO2 ZINC000035377206 132801351 /nfs/dbraw/zinc/80/13/51/132801351.db2.gz ZERSLLXBLAVSMX-UHFFFAOYSA-N 0 0 415.474 4.474 10 0 HIAERN CCOc1cc(/C=C2/N=C3CCCCCN3C2=O)ccc1OC(=O)c1ccccc1 ZINC000032611750 520624852 /nfs/dbraw/zinc/62/48/52/520624852.db2.gz GLZYHJDZMLRTKP-XDJHFCHBSA-N 0 0 404.466 4.460 10 0 HIAERN COC(=O)c1ccc(-c2noc(CN3CCC[C@@H]3c3nc4ccccc4s3)n2)cc1 ZINC000020540348 521930139 /nfs/dbraw/zinc/93/01/39/521930139.db2.gz SCSSJMVBCFDSAN-QGZVFWFLSA-N 0 0 420.494 4.470 10 0 HIAERN COc1ccc(-c2nc(CN3CCN(c4cccc(C)n4)CC3)c(C)o2)c(OC)c1C ZINC000020233924 523204496 /nfs/dbraw/zinc/20/44/96/523204496.db2.gz SPWMARXXQXUZJM-UHFFFAOYSA-N 0 0 422.529 4.001 10 0 HIAERN COc1ccc(-c2nc(SCC(=O)Nc3ccc(OC)c(Cl)c3)no2)cc1 ZINC000032611999 523223156 /nfs/dbraw/zinc/22/31/56/523223156.db2.gz YQWOKKLAWXDHRX-UHFFFAOYSA-N 0 0 405.863 4.138 10 0 HIAERN Cc1sc2ncnc(N3CCCC3)c2c1C(=O)NCc1ccc(F)cc1Cl ZINC000033312532 526899422 /nfs/dbraw/zinc/89/94/22/526899422.db2.gz PADSHUIWTMUUHC-UHFFFAOYSA-N 0 0 404.898 4.322 10 0 HIAERN O=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)c1ccc(Br)o1 ZINC000032609897 527490759 /nfs/dbraw/zinc/49/07/59/527490759.db2.gz LLGSJGADVIUGFI-UHFFFAOYSA-N 0 0 414.618 4.320 10 0 HIAERN Cc1ccccc1CN(CCCN1CCOCC1)C(=S)Nc1ccccc1F ZINC000020418461 558361472 /nfs/dbraw/zinc/36/14/72/558361472.db2.gz SVFJPKPFGHPUAO-UHFFFAOYSA-N 0 0 401.551 4.055 10 0 HIAERN Cc1ccc(F)c(Oc2cc(N3CCN(C(=O)C4CCCCC4)[C@@H](C)C3)ncn2)c1 ZINC000037356229 558804298 /nfs/dbraw/zinc/80/42/98/558804298.db2.gz GYICKMCECGSAFK-KRWDZBQOSA-N 0 0 412.509 4.334 10 0 HIAERN COc1ccc(N2Cc3cccc(C(=O)N[C@@H](C)CCc4ccco4)c3C2=O)cc1 ZINC000005006053 559227211 /nfs/dbraw/zinc/22/72/11/559227211.db2.gz RRAHONTZUQKQPP-INIZCTEOSA-N 0 0 404.466 4.200 10 0 HIAERN CCN1c2cc(C(=O)N(C)C3CCCCC3)ccc2[S@@](=O)c2ccccc2C1=O ZINC000005058535 559238855 /nfs/dbraw/zinc/23/88/55/559238855.db2.gz ZUDJFBVICUDVEE-GDLZYMKVSA-N 0 0 410.539 4.238 10 0 HIAERN Cc1cnc(SCc2ccccn2)nc1[C@H]1CCCN(C(=O)CCc2ccco2)C1 ZINC000012158986 560890394 /nfs/dbraw/zinc/89/03/94/560890394.db2.gz FKCAVHDNGZPPNE-SFHVURJKSA-N 0 0 422.554 4.404 10 0 HIAERN O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCCN(C(=O)c2cncs2)C1 ZINC000012429727 568721901 /nfs/dbraw/zinc/72/19/01/568721901.db2.gz PYUZUMCBOFOUIX-KRWDZBQOSA-N 0 0 409.486 4.440 10 0 HIAERN O=S(=O)(c1ccc2nc(Nc3ccc(-c4ccno4)cc3)ccc2c1)N1CCCC1 ZINC000021881962 568725073 /nfs/dbraw/zinc/72/50/73/568725073.db2.gz LRVDBQWBPGWZGV-UHFFFAOYSA-N 0 0 420.494 4.418 10 0 HIAERN COc1cccc2c(OCC(=O)Nc3ccc(Br)cc3)cc(C)nc12 ZINC000227149032 568827991 /nfs/dbraw/zinc/82/79/91/568827991.db2.gz HVQYINMTQJQXLH-UHFFFAOYSA-N 0 0 401.260 4.332 10 0 HIAERN Cc1cccn2c([C@H](CC(=O)NC3CCCCC3)c3ccc4c(c3)OCO4)cnc12 ZINC000035517004 569043372 /nfs/dbraw/zinc/04/33/72/569043372.db2.gz YKWUYWROHBKIQP-LJQANCHMSA-N 0 0 405.498 4.342 10 0 HIAERN O=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1ccc2ccccc2c1 ZINC000224258210 569056628 /nfs/dbraw/zinc/05/66/28/569056628.db2.gz DHYNRJSWLQUBCT-UHFFFAOYSA-N 0 0 409.493 4.209 10 0 HIAERN CCc1ccc(NC(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1 ZINC000224269111 569056674 /nfs/dbraw/zinc/05/66/74/569056674.db2.gz XPWJYECGYAOSAP-UHFFFAOYSA-N 0 0 402.502 4.010 10 0 HIAERN Cc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000064558475 569066944 /nfs/dbraw/zinc/06/69/44/569066944.db2.gz WRKSRDBVJPKGSC-HXUWFJFHSA-N 0 0 423.490 4.223 10 0 HIAERN CCc1ccc(CNC(=O)Cc2ccc(NC(=O)C3=C(C)OCCS3)cc2)cc1 ZINC000006751544 569110131 /nfs/dbraw/zinc/11/01/31/569110131.db2.gz YSZKUJWSAWFSGE-UHFFFAOYSA-N 0 0 410.539 4.041 10 0 HIAERN CC(C)C(=O)NCCc1csc(C2CCN(C(=O)Nc3ccccc3F)CC2)n1 ZINC000065173442 569190171 /nfs/dbraw/zinc/19/01/71/569190171.db2.gz CCBGHFHIJNWSCB-UHFFFAOYSA-N 0 0 418.538 4.008 10 0 HIAERN Cn1c(C[C@@H]2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)C2)nc2cccnc21 ZINC000065292571 569218345 /nfs/dbraw/zinc/21/83/45/569218345.db2.gz JOQJJPMJBHKULH-ZDUSSCGKSA-N 0 0 403.408 4.084 10 0 HIAERN Cc1cc(NC(=O)c2ccc(N)cc2Cl)c(C)cc1I ZINC000226269061 569278940 /nfs/dbraw/zinc/27/89/40/569278940.db2.gz HRDCNUGUASIKHF-UHFFFAOYSA-N 0 0 400.647 4.396 10 0 HIAERN Nc1cc(NC(=O)c2cccc(I)c2)ccc1N1CCCCC1 ZINC000226266276 569278965 /nfs/dbraw/zinc/27/89/65/569278965.db2.gz OXFPLHRHLVSBQN-UHFFFAOYSA-N 0 0 421.282 4.116 10 0 HIAERN O=C1c2ccccc2CN1c1cccc(-c2nn3c(nnc3C(F)(F)F)s2)c1 ZINC000226287144 569279201 /nfs/dbraw/zinc/27/92/01/569279201.db2.gz BUGMAMDPPYVAGD-UHFFFAOYSA-N 0 0 401.373 4.032 10 0 HIAERN O=C(Nc1ccc(-n2cccn2)cc1)C1CCN(Cc2nc3c(s2)CCCC3)CC1 ZINC000019226661 569414493 /nfs/dbraw/zinc/41/44/93/569414493.db2.gz QIMKAIUCIBXWDR-UHFFFAOYSA-N 0 0 421.570 4.058 10 0 HIAERN CC(C)(C)CC(=O)N1CCN([C@@H](C(=O)Nc2ccc(F)cc2F)C2CCCC2)CC1 ZINC000036312055 571313825 /nfs/dbraw/zinc/31/38/25/571313825.db2.gz FTKLBGWJZRRHBU-OAQYLSRUSA-N 0 0 421.532 4.043 10 0 HIAERN COc1ccccc1NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(-c2cccs2)c1=O ZINC000004237159 291267182 /nfs/dbraw/zinc/26/71/82/291267182.db2.gz IAUSOWDNWPPVAN-JKSUJKDBSA-N 0 0 421.522 4.237 10 0 HIAERN CC(=O)c1cccc(Nc2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)c1 ZINC000032943546 518446265 /nfs/dbraw/zinc/44/62/65/518446265.db2.gz BBVMDZPKJMOENB-UHFFFAOYSA-N 0 0 409.511 4.356 10 0 HIAERN CCc1ccc(-c2nc(=O)n(CC(=O)Nc3ccc(F)cc3)c3sc(C)nc32)cc1 ZINC000032641642 523859094 /nfs/dbraw/zinc/85/90/94/523859094.db2.gz KHOULMIWOWYBLD-UHFFFAOYSA-N 0 0 422.485 4.169 10 0 HIAERN CCc1ccc(NC(=O)c2c(-c3ccc(OC)c(OC)c3)nnn2CSC)cc1 ZINC000032611818 523991246 /nfs/dbraw/zinc/99/12/46/523991246.db2.gz CRMNWIHRYIATIV-UHFFFAOYSA-N 0 0 412.515 4.098 10 0 HIAERN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(NC(=O)[C@@H]2CC(=O)OC23CCCCC3)cc1 ZINC000020443808 524361835 /nfs/dbraw/zinc/36/18/35/524361835.db2.gz LHMKZDZUFLTGAS-QKLQHJQFSA-N 0 0 412.530 4.294 10 0 HIAERN Cc1ccc(Nc2nc(Nc3cccc4cnccc43)nc(N3CCOCC3)n2)cc1 ZINC000032604834 525326477 /nfs/dbraw/zinc/32/64/77/525326477.db2.gz JSVLGKNMCCJLJA-UHFFFAOYSA-N 0 0 413.485 4.052 10 0 HIAERN Cc1ccc([C@H](C)NC(=O)c2cn(-c3ccc(NC(=O)CC(C)C)cn3)cn2)cc1 ZINC000033312510 525915315 /nfs/dbraw/zinc/91/53/15/525915315.db2.gz KVIPCRQGIFKYQR-KRWDZBQOSA-N 0 0 405.502 4.051 10 0 HIAERN O=C(NC1CCCCC1)[C@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c32)C1 ZINC000020575228 527516210 /nfs/dbraw/zinc/51/62/10/527516210.db2.gz UUNKWJXWSUFLJE-INIZCTEOSA-N 0 0 423.492 4.089 10 0 HIAERN O[C@@H](COc1ccc2ccccc2c1)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000032704030 527660741 /nfs/dbraw/zinc/66/07/41/527660741.db2.gz QQOGIKZYOUZJQV-HSZRJFAPSA-N 0 0 410.945 4.051 10 0 HIAERN CCC[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2ON1c1ccc(Cl)c(Cl)c1 ZINC000102924712 559153589 /nfs/dbraw/zinc/15/35/89/559153589.db2.gz XOGPKSZIPVZNBU-RCCFBDPRSA-N 0 0 405.281 4.472 10 0 HIAERN CC(C)N(CCCCOCC(N)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000146543073 559169000 /nfs/dbraw/zinc/16/90/00/559169000.db2.gz LMFFHJRXWFWVSH-UHFFFAOYSA-N 0 0 418.541 4.308 10 0 HIAERN CC[C@H](C(=O)Nc1cc(C)ccc1C)n1nc(C)n2c(cc3cc(C)ccc32)c1=O ZINC000006803382 568459903 /nfs/dbraw/zinc/45/99/03/568459903.db2.gz DPBJVNSJCRPJTE-HXUWFJFHSA-N 0 0 402.498 4.473 10 0 HIAERN O=C(CCN1c2cccnc2Sc2ccccc2C1=O)NCc1ccc(F)cc1 ZINC000020512170 568622007 /nfs/dbraw/zinc/62/20/07/568622007.db2.gz LDUBFXUBQKAFTH-UHFFFAOYSA-N 0 0 407.470 4.039 10 0 HIAERN CC[C@@H]1CCCCN1C(=O)c1sc2ncn(Cc3ccccc3F)c(=O)c2c1C ZINC000002911039 568815848 /nfs/dbraw/zinc/81/58/48/568815848.db2.gz JVJNNMKFTYAMDC-MRXNPFEDSA-N 0 0 413.518 4.359 10 0 HIAERN Cc1cccc(NC(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)c1C ZINC000224269417 569056713 /nfs/dbraw/zinc/05/67/13/569056713.db2.gz IGRDDZAQGGWMCW-UHFFFAOYSA-N 0 0 402.502 4.064 10 0 HIAERN Cc1csc2nc(C)c(NC(=O)c3c(C)onc3-c3ccccc3Cl)c(=O)n12 ZINC000064566975 569067241 /nfs/dbraw/zinc/06/72/41/569067241.db2.gz FYOMNHVNSZCOBC-UHFFFAOYSA-N 0 0 414.874 4.242 10 0 HIAERN CC(C)CCNC(=O)[C@H]1CN(C(=O)CC(C)C)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000036042143 569082445 /nfs/dbraw/zinc/08/24/45/569082445.db2.gz GFCZUCSQEMXXRA-MOPGFXCFSA-N 0 0 412.496 4.456 10 0 HIAERN CCn1cc([C@@H](CC(=O)NCCCOC)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000006724313 569100046 /nfs/dbraw/zinc/10/00/46/569100046.db2.gz BFRQHJLPFMISAW-IBGZPJMESA-N 0 0 408.498 4.065 10 0 HIAERN Cc1ccc(Oc2nccnc2N2CCC(C(=O)NCc3ccccc3F)CC2)cc1 ZINC000065102383 569178502 /nfs/dbraw/zinc/17/85/02/569178502.db2.gz RRWJQXGAIVTGPD-UHFFFAOYSA-N 0 0 420.488 4.249 10 0 HIAERN C[C@@H]1CCCN(C(=O)c2cc3c(s2)CCN(C(=O)c2ccc(Cl)cc2)C3)C1 ZINC000065201487 569195716 /nfs/dbraw/zinc/19/57/16/569195716.db2.gz MFCFIXIIVBIOLP-CQSZACIVSA-N 0 0 402.947 4.472 10 0 HIAERN Cc1cc2c(cc1S(=O)(=O)N1CCc3ccccc3C1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000009685461 571279872 /nfs/dbraw/zinc/27/98/72/571279872.db2.gz YZJVUKWHONOKHC-UHFFFAOYSA-N 0 0 422.550 4.378 10 0 HIAERN Cc1nc(C2CCN(C(=O)c3cccc(F)c3)CC2)sc1C(=O)NC1CCCC1 ZINC000033303143 571309402 /nfs/dbraw/zinc/30/94/02/571309402.db2.gz GTSGOGDBFSVGHJ-UHFFFAOYSA-N 0 0 415.534 4.283 10 0 HIAERN Cc1ccc(CN2C[C@H]3CN(Cc4ccc(OC(F)(F)F)cc4)CCN3C2=O)cc1 ZINC000096269147 291268091 /nfs/dbraw/zinc/26/80/91/291268091.db2.gz FKBQCYPVFWYMAG-LJQANCHMSA-N 0 0 419.447 4.016 10 0 HIAERN C[C@H]1CCCC[C@H]1NC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000004575629 132279084 /nfs/dbraw/zinc/27/90/84/132279084.db2.gz DIKVPKKFSRNKHD-GKIWIXTESA-N 0 0 413.905 4.232 10 0 HIAERN Cc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1C ZINC000004672657 132281862 /nfs/dbraw/zinc/28/18/62/132281862.db2.gz UMOAJAWPEAZTLM-YWTKSJFSSA-N 0 0 407.514 4.005 10 0 HIAERN CC(=O)N(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1)C(C)C ZINC000035707017 132802845 /nfs/dbraw/zinc/80/28/45/132802845.db2.gz NUZNJYSSVXOUCL-DEOSSOPVSA-N 0 0 405.473 4.309 10 0 HIAERN COc1cc2c(I)cn(C(=O)OC(C)(C)C)c2c(OC)c1 ZINC000089203762 522990128 /nfs/dbraw/zinc/99/01/28/522990128.db2.gz ARPQVLCTAKBRGH-UHFFFAOYSA-N 0 0 403.216 4.046 10 0 HIAERN CCc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000020112333 523962924 /nfs/dbraw/zinc/96/29/24/523962924.db2.gz HXNIYSTZWAOFPS-MABITJRSSA-N 0 0 421.541 4.387 10 0 HIAERN COc1cccc([C@@H]2Nc3ccccc3C(=O)N2CCOc2ccccc2)c1OC ZINC000016228192 524131408 /nfs/dbraw/zinc/13/14/08/524131408.db2.gz NBLYXWZSUMSDIC-HSZRJFAPSA-N 0 0 404.466 4.349 10 0 HIAERN O=C(NCc1ccc(F)cc1F)c1cnc(-c2ccncc2)nc1-c1ccccc1 ZINC000040455719 526678239 /nfs/dbraw/zinc/67/82/39/526678239.db2.gz WCYRRRXYDQGRQZ-UHFFFAOYSA-N 0 0 402.404 4.414 10 0 HIAERN O=C(COCc1ccccc1)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023310212 526940183 /nfs/dbraw/zinc/94/01/83/526940183.db2.gz MEKVSODMCAGZQI-AREMUKBSSA-N 0 0 418.512 4.276 10 0 HIAERN Cc1nc2c(s1)n(CC(=O)Nc1cc(C)ccc1C)c(=O)nc2-c1cccs1 ZINC000032615820 527113371 /nfs/dbraw/zinc/11/33/71/527113371.db2.gz WADOLKXYCSZAPK-UHFFFAOYSA-N 0 0 410.524 4.145 10 0 HIAERN O=C(NCCCc1ccccc1)[C@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1 ZINC000064929176 558535371 /nfs/dbraw/zinc/53/53/71/558535371.db2.gz BBUQJVFMAUZVCN-QFIPXVFZSA-N 0 0 400.526 4.109 10 0 HIAERN CCC(=O)N1CCN(C(=O)c2cc3ccsc3n2[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000004527393 558653867 /nfs/dbraw/zinc/65/38/67/558653867.db2.gz XYINSWNATDLYHP-IRXDYDNUSA-N 0 0 409.555 4.395 10 0 HIAERN COCCN(C)C(=O)c1sc2ncnc(N[C@@H]3CCCc4ccccc43)c2c1C ZINC000015007746 558699348 /nfs/dbraw/zinc/69/93/48/558699348.db2.gz LVQWDCYVOARKSO-QGZVFWFLSA-N 0 0 410.543 4.208 10 0 HIAERN O=C([O-])CCCC[NH+]1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000722974633 558891375 /nfs/dbraw/zinc/89/13/75/558891375.db2.gz ZETGNIQINMJAAY-UHFFFAOYSA-N 0 0 422.525 4.244 10 0 HIAERN CCC[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2ON1c1ccc(Cl)c(Cl)c1 ZINC000136741204 559278530 /nfs/dbraw/zinc/27/85/30/559278530.db2.gz XOGPKSZIPVZNBU-OKZBNKHCSA-N 0 0 405.281 4.472 10 0 HIAERN C[C@H](Cc1cc(C(=O)NCc2cnn(-c3ccc(F)cc3)c2)on1)c1ccccc1 ZINC000014878767 560884419 /nfs/dbraw/zinc/88/44/19/560884419.db2.gz MJKNLTXRNFJFSB-MRXNPFEDSA-N 0 0 404.445 4.276 10 0 HIAERN CNc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000381502888 568416961 /nfs/dbraw/zinc/41/69/61/568416961.db2.gz QEOUWUJNDBCNPY-UHFFFAOYSA-N 0 0 411.483 4.028 10 0 HIAERN O=C(Nc1ccccc1Br)N1CCS[C@H]1c1ccc2c(c1)OCCO2 ZINC000000699972 568462387 /nfs/dbraw/zinc/46/23/87/568462387.db2.gz JANZZVXJGRYMOT-KRWDZBQOSA-N 0 0 421.316 4.500 10 0 HIAERN COC(=O)c1ccc(-n2c(/C=C\c3ccc(F)cc3)nc3ccccc3c2=O)cc1 ZINC000096095924 568688595 /nfs/dbraw/zinc/68/85/95/568688595.db2.gz KQSTXMLWYNADIM-NVNXTCNLSA-N 0 0 400.409 4.482 10 0 HIAERN Cc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)NCCc2ccccc2)C4)cc1 ZINC000096323870 568732975 /nfs/dbraw/zinc/73/29/75/568732975.db2.gz DGWOQFMRKUDXHG-UHFFFAOYSA-N 0 0 417.538 4.077 10 0 HIAERN CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)C1 ZINC000021709424 568748151 /nfs/dbraw/zinc/74/81/51/568748151.db2.gz JGNPBJUAKDRNKH-OAQYLSRUSA-N 0 0 421.541 4.016 10 0 HIAERN COc1ccccc1[S@@](=O)Cc1ccc(C(=O)NCc2ccccc2Cl)o1 ZINC000005042416 568950894 /nfs/dbraw/zinc/95/08/94/568950894.db2.gz BJZHTCXXJVVXAR-HHHXNRCGSA-N 0 0 403.887 4.179 10 0 aggregator HIAERN O=C(NCCc1ccccc1)c1ccc(C[S@@](=O)Cc2ccccc2Cl)o1 ZINC000006895846 569175791 /nfs/dbraw/zinc/17/57/91/569175791.db2.gz OKNUMOYTLHJLKN-HHHXNRCGSA-N 0 0 401.915 4.354 10 0 HIAERN CN1c2ccc(NC(=O)C3(c4ccccc4)CC3)cc2Sc2ncccc2C1=O ZINC000065258423 569210198 /nfs/dbraw/zinc/21/01/98/569210198.db2.gz FVEINKTXKNBKCY-UHFFFAOYSA-N 0 0 401.491 4.493 10 0 HIAERN CC(C)Cn1ccc2cc(NC(=O)N3CCC[C@H](c4n[nH]cc4C(N)=O)C3)ccc21 ZINC000328607767 569418999 /nfs/dbraw/zinc/41/89/99/569418999.db2.gz XANVDQPYGZOARP-INIZCTEOSA-N 0 0 408.506 4.315 10 0 HIAERN Cc1cc2nc(N3CCCN(Cc4nc5cc(F)ccc5[nH]4)CC3)nc(C)c2cc1C ZINC000019854255 569431190 /nfs/dbraw/zinc/43/11/90/569431190.db2.gz OGBQXWLNBIMIKI-UHFFFAOYSA-N 0 0 418.520 4.283 10 0 HIAERN Cc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)N2C[C@H](C)C[C@H](C)C2)cc1C ZINC000004672655 132281898 /nfs/dbraw/zinc/28/18/98/132281898.db2.gz UMOAJAWPEAZTLM-DXMSMQRWSA-N 0 0 407.514 4.005 10 0 HIAERN COc1ccc(CN2CCN(c3ncnc4sc5c(c43)C[C@H](C)CC5)CC2)cc1 ZINC000006728500 132313918 /nfs/dbraw/zinc/31/39/18/132313918.db2.gz KFMCQPOXKWYEHI-MRXNPFEDSA-N 0 0 408.571 4.147 10 0 HIAERN CCOC(=O)c1c(C)c(C(=O)[C@@H](C)N(CCC(C)C)C(=O)C2CCC2)c(C)n1C ZINC000040392283 521387848 /nfs/dbraw/zinc/38/78/48/521387848.db2.gz NUHIKFNNVTYLGB-QGZVFWFLSA-N 0 0 404.551 4.065 10 0 HIAERN COc1ccc(C)cc1NC(=O)N1CCN(C(=O)Cc2csc3ccccc23)CC1 ZINC000032971538 523831427 /nfs/dbraw/zinc/83/14/27/523831427.db2.gz VWCWXEXTTWDJAK-UHFFFAOYSA-N 0 0 423.538 4.137 10 0 HIAERN COc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000024749497 524488041 /nfs/dbraw/zinc/48/80/41/524488041.db2.gz KBJVKTYARRSLTL-UHFFFAOYSA-N 0 0 415.449 4.214 10 0 HIAERN COc1ccc(OC)c(NC(=O)Nc2nn(Cc3ccccc3F)cc2Cl)c1 ZINC000032609657 524861607 /nfs/dbraw/zinc/86/16/07/524861607.db2.gz NHSOYMQRMDXJOT-UHFFFAOYSA-N 0 0 404.829 4.385 10 0 HIAERN COc1ccc2[nH]cc(C(=O)c3sc(Nc4ccc(OC)c(OC)c4)nc3N)c2c1 ZINC000032947915 525488282 /nfs/dbraw/zinc/48/82/82/525488282.db2.gz JEPUDEQHEBZBEJ-UHFFFAOYSA-N 0 0 424.482 4.207 10 0 HIAERN O[C@H](COc1ccc2ccccc2c1)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000032704032 526291953 /nfs/dbraw/zinc/29/19/53/526291953.db2.gz QQOGIKZYOUZJQV-QHCPKHFHSA-N 0 0 410.945 4.051 10 0 HIAERN O=C(COCc1ccccc1)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023310209 526939393 /nfs/dbraw/zinc/93/93/93/526939393.db2.gz MEKVSODMCAGZQI-SANMLTNESA-N 0 0 418.512 4.276 10 0 HIAERN CCOC(=O)c1cc(C(C)(C)C)n(C2CCN(C(=O)c3ccc(C)c(C)c3)CC2)n1 ZINC000022638130 557332964 /nfs/dbraw/zinc/33/29/64/557332964.db2.gz KBYOZEZKUFQAHT-UHFFFAOYSA-N 0 0 411.546 4.451 10 0 HIAERN COc1ccc([C@H]2CC(=O)N(CC(=O)NCc3ccco3)c3ccccc3S2)cc1 ZINC000020355838 558357097 /nfs/dbraw/zinc/35/70/97/558357097.db2.gz GCYHCRKJQDSZSU-OAQYLSRUSA-N 0 0 422.506 4.175 10 0 HIAERN O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(CN2CCOCC2)cc1 ZINC000023872974 558578588 /nfs/dbraw/zinc/57/85/88/558578588.db2.gz ZTQQSEUPCHOSFX-UHFFFAOYSA-N 0 0 414.549 4.471 10 0 HIAERN Cc1ccc(F)c(Oc2cc(N3CCN(C(=O)C4CCCCC4)[C@H](C)C3)ncn2)c1 ZINC000037356228 558804347 /nfs/dbraw/zinc/80/43/47/558804347.db2.gz GYICKMCECGSAFK-QGZVFWFLSA-N 0 0 412.509 4.334 10 0 HIAERN COc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)NC1CCCC1 ZINC000046006733 558838907 /nfs/dbraw/zinc/83/89/07/558838907.db2.gz WJUICIZGJAWFJX-UHFFFAOYSA-N 0 0 410.493 4.176 10 0 HIAERN Cc1ccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000064662127 558964958 /nfs/dbraw/zinc/96/49/58/558964958.db2.gz JINIQAMGAUZHJE-HSZRJFAPSA-N 0 0 407.539 4.489 10 0 HIAERN COCc1nnc(SCc2ccccc2C(=O)N2CCCC2)n1Cc1ccccc1 ZINC000096289946 559108822 /nfs/dbraw/zinc/10/88/22/559108822.db2.gz UPIOSXWZJLGGRV-UHFFFAOYSA-N 0 0 422.554 4.001 10 0 HIAERN COc1ccc(C)cc1NC(=O)N1CC[C@@H](Cc2nc3cccnc3n2C(C)C)C1 ZINC000096124972 568639143 /nfs/dbraw/zinc/63/91/43/568639143.db2.gz SGSUOOSZZLQBDW-KRWDZBQOSA-N 0 0 407.518 4.426 10 0 HIAERN COc1ccc(C)cc1NC(=O)N1CC[C@H](c2nc3ccncc3n2CC(C)C)C1 ZINC000096125391 568639794 /nfs/dbraw/zinc/63/97/94/568639794.db2.gz MBSFDLOXTBFEFS-KRWDZBQOSA-N 0 0 407.518 4.426 10 0 HIAERN COc1ccc(-c2ccnc(-n3ncc(C(=O)NC4CCCC4)c3C3CC3)n2)cc1F ZINC000014988041 568716959 /nfs/dbraw/zinc/71/69/59/568716959.db2.gz OPOUVHINGZAAGJ-UHFFFAOYSA-N 0 0 421.476 4.027 10 0 HIAERN CCC(=O)NCc1csc(C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 ZINC000096372564 568739914 /nfs/dbraw/zinc/73/99/14/568739914.db2.gz ZWLRYSPPWJFPME-UHFFFAOYSA-N 0 0 413.587 4.487 10 0 HIAERN CC(C)C(=O)NCc1csc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000096372585 568740068 /nfs/dbraw/zinc/74/00/68/568740068.db2.gz BBJRBPMBOOWLKH-UHFFFAOYSA-N 0 0 405.951 4.089 10 0 HIAERN CC[C@@H](C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000035724388 569053357 /nfs/dbraw/zinc/05/33/57/569053357.db2.gz XCABYOKIEPFHKC-PBHICJAKSA-N 0 0 409.515 4.380 10 0 HIAERN Cc1nc(-c2ccccc2)nc(N2CCN(C(=O)Cc3ccccc3)CC2)c1C(C)C ZINC000035807561 569060836 /nfs/dbraw/zinc/06/08/36/569060836.db2.gz SWPXFCOKBYAXLY-UHFFFAOYSA-N 0 0 414.553 4.467 10 0 HIAERN Cc1ccsc1CCNC(=O)c1nc(-c2ccc(N3CCCCCC3)cc2)no1 ZINC000064746594 569088475 /nfs/dbraw/zinc/08/84/75/569088475.db2.gz JUILVUDMRWQSIF-UHFFFAOYSA-N 0 0 410.543 4.459 10 0 HIAERN COc1cccc(C(=O)N2CCC3(CC2)Nc2cc(OC)ccc2-n2cccc23)c1 ZINC000064848250 569107397 /nfs/dbraw/zinc/10/73/97/569107397.db2.gz GYSNJAGOGHTHSY-UHFFFAOYSA-N 0 0 403.482 4.052 10 0 HIAERN Cc1cc(NC(=O)COc2ccc(Br)cc2)cc(Br)c1O ZINC000226243179 569278627 /nfs/dbraw/zinc/27/86/27/569278627.db2.gz FDPFJGNXXAWFJZ-UHFFFAOYSA-N 0 0 415.081 4.243 10 0 HIAERN