smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1nc(CSc2cccc3cccnc32)nc(-c2ccccc2O)n1 ZINC000001423955 204005462 /nfs/dbraw/zinc/00/54/62/204005462.db2.gz LGIXMTUFSZBCDR-UHFFFAOYSA-N 0 1 361.430 3.667 40 0 FHABMN O=C([O-])[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000004399350 204138994 /nfs/dbraw/zinc/13/89/94/204138994.db2.gz PPNBMQUTFASJPB-SJORKVTESA-N 0 1 360.251 3.749 40 0 FHABMN Cc1ccc2c(n[nH]c2NC(=O)[C@H](c2ccccc2)N2CCC(C)CC2)n1 ZINC000035322727 204239853 /nfs/dbraw/zinc/23/98/53/204239853.db2.gz OEDPGAHSXLJQJI-SFHVURJKSA-N 0 1 363.465 3.678 40 0 FHABMN O=C(c1n[nH]c2c1COc1ccccc1-2)N1CCc2[nH]c3ccccc3c2C1 ZINC000019656575 204698224 /nfs/dbraw/zinc/69/82/24/204698224.db2.gz XOAAVGISCGMRTN-UHFFFAOYSA-N 0 1 370.412 3.649 40 0 FHABMN CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000038858345 205043934 /nfs/dbraw/zinc/04/39/34/205043934.db2.gz HRERUBWYSNPFQB-GOSISDBHSA-N 0 1 354.425 3.879 40 0 FHABMN Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3O)n[nH]2)c1 ZINC000005488736 206195963 /nfs/dbraw/zinc/19/59/63/206195963.db2.gz WFIHJVCGEQQSOC-UHFFFAOYSA-N 0 1 354.435 3.525 40 0 FHABMN Cc1cccc(NC(=O)CSc2nc(-c3ccccc3O)n[nH]2)c1C ZINC000005520252 206240374 /nfs/dbraw/zinc/24/03/74/206240374.db2.gz WHBHHAKSCKVYCJ-UHFFFAOYSA-N 0 1 354.435 3.525 40 0 FHABMN Cc1ccc(C[N@@H+](CC(=O)[O-])C2CCN(c3cccc(F)c3)CC2)cc1 ZINC000257213805 132295106 /nfs/dbraw/zinc/29/51/06/132295106.db2.gz CJDPCRNUEINMOU-UHFFFAOYSA-N 0 1 356.441 3.690 40 0 FHABMN Cc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(NC2CCCC2)n1 ZINC000329066912 132373032 /nfs/dbraw/zinc/37/30/32/132373032.db2.gz YESGXCXWPWKVPL-HNNXBMFYSA-N 0 1 352.482 3.756 40 0 FHABMN CNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C2CC2)n1 ZINC000329055966 132373166 /nfs/dbraw/zinc/37/31/66/132373166.db2.gz VQBPVSVBUHIRRC-UHFFFAOYSA-N 0 1 364.371 3.857 40 0 FHABMN CCc1cc(N2CCc3cc(OC)ccc3C2)nc(NC2CCCC2)n1 ZINC000329069344 132373300 /nfs/dbraw/zinc/37/33/00/132373300.db2.gz YWCNCTCYNCRMRN-UHFFFAOYSA-N 0 1 352.482 3.965 40 0 FHABMN CC(C)Nc1nc(C(C)C)cc(N2CCc3cc(C(C)(C)O)ccc3C2)n1 ZINC000329067251 132373312 /nfs/dbraw/zinc/37/33/12/132373312.db2.gz YGXLWGMTIBTNJJ-UHFFFAOYSA-N 0 1 368.525 3.632 40 0 FHABMN COC(=O)c1ccc(-c2ccc(CNCc3ccc4c(c3)OCO4)o2)cc1 ZINC000007539030 263351781 /nfs/dbraw/zinc/35/17/81/263351781.db2.gz OQZXAIRDKYBTFV-UHFFFAOYSA-N 0 1 365.385 3.752 40 0 FHABMN O=C(Nc1ccccc1Oc1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000028210350 263389926 /nfs/dbraw/zinc/38/99/26/263389926.db2.gz YEDMJRASEKJWGK-UHFFFAOYSA-N 0 1 357.369 3.968 40 0 FHABMN Cc1ccc(OCCNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000039749507 263399243 /nfs/dbraw/zinc/39/92/43/263399243.db2.gz KRMNSDLNRYXQSJ-UHFFFAOYSA-N 0 1 370.468 3.541 40 0 FHABMN CC(=O)Nc1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000039747905 263399833 /nfs/dbraw/zinc/39/98/33/263399833.db2.gz ULDWGRBLHGFKCG-UHFFFAOYSA-N 0 1 369.440 3.635 40 0 FHABMN CCOc1cc(CN2CCN(Cc3ccc(C)cc3)CC2)ccc1OC ZINC000019889605 520699992 /nfs/dbraw/zinc/69/99/92/520699992.db2.gz OVCYETWKZBOFFG-UHFFFAOYSA-N 0 1 354.494 3.720 40 0 FHABMN Cc1nnc(SCc2ccc(NC(=O)COc3ccc(C)cc3)cc2)[nH]1 ZINC000020367959 526533455 /nfs/dbraw/zinc/53/34/55/526533455.db2.gz WCTTXSLYGQQWEB-UHFFFAOYSA-N 0 1 368.462 3.731 40 0 FHABMN Cc1n[nH]c(SCc2ccc(NC(=O)COc3ccc(C)cc3)cc2)n1 ZINC000020367959 526533460 /nfs/dbraw/zinc/53/34/60/526533460.db2.gz WCTTXSLYGQQWEB-UHFFFAOYSA-N 0 1 368.462 3.731 40 0 FHABMN COc1ccccc1[C@H](C)NC(=O)C1CCN(Cc2ccccc2F)CC1 ZINC000223340150 568642356 /nfs/dbraw/zinc/64/23/56/568642356.db2.gz VFRVBEKEALMGGI-INIZCTEOSA-N 0 1 370.468 3.924 40 0 FHABMN c1ccc(CN2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)nc1 ZINC000096038250 570472678 /nfs/dbraw/zinc/47/26/78/570472678.db2.gz KUBUIKVTSGVQTO-UHFFFAOYSA-N 0 1 370.460 3.566 40 0 FHABMN CN(C)C(=O)C[C@H]1CC2(CCN(Cc3nccs3)CC2)c2ccccc21 ZINC000096079470 570475064 /nfs/dbraw/zinc/47/50/64/570475064.db2.gz VSPBOGVYHJWTCY-INIZCTEOSA-N 0 1 369.534 3.643 40 0 FHABMN COc1cccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)c1 ZINC000408624901 570589194 /nfs/dbraw/zinc/58/91/94/570589194.db2.gz DIGFWAQEPYDJPA-UHFFFAOYSA-N 0 1 371.245 3.834 40 0 FHABMN CCOc1ccccc1-c1cc(C(=O)N(C)[C@@H](C)Cc2ccccn2)n[nH]1 ZINC000012143816 570722054 /nfs/dbraw/zinc/72/20/54/570722054.db2.gz HCXLRDRFWHZOIY-HNNXBMFYSA-N 0 1 364.449 3.574 40 0 FHABMN COc1cc2c(cc1OC)[C@H](C)N([C@@H]1CCCN(C(=O)CC(C)C)C1)CC2 ZINC000012232921 570730440 /nfs/dbraw/zinc/73/04/40/570730440.db2.gz BXLVLBPVMABBGJ-FUHWJXTLSA-N 0 1 374.525 3.660 40 0 FHABMN O=C(COc1ccc(CNC2(c3cccc(F)c3)CC2)cc1)N1CCCC1 ZINC000012238763 570730549 /nfs/dbraw/zinc/73/05/49/570730549.db2.gz XVEGHGKOOIFZKL-UHFFFAOYSA-N 0 1 368.452 3.606 40 0 FHABMN C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H](c2cc3nc(C)c(C)c(=O)n3[n-]2)C1 ZINC000012255316 570731282 /nfs/dbraw/zinc/73/12/82/570731282.db2.gz ZLOYVLVSFTVJIM-FERCGXDMSA-N 0 1 362.477 3.945 40 0 FHABMN O[C@H](CN1CC=C(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000012330564 570737185 /nfs/dbraw/zinc/73/71/85/570737185.db2.gz VLKIBWHKOJQQJN-HXUWFJFHSA-N 0 1 369.436 3.810 40 0 FHABMN Cc1nccc(-c2ccc(-c3noc(CN4C[C@H](C)C[C@H](C)C4)n3)cc2)n1 ZINC000012337097 570737650 /nfs/dbraw/zinc/73/76/50/570737650.db2.gz JZXQZQOVXPWKTO-GASCZTMLSA-N 0 1 363.465 3.980 40 0 FHABMN COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)c1Cl ZINC000008115711 570795017 /nfs/dbraw/zinc/79/50/17/570795017.db2.gz ZONGNDGZVNSAHH-UHFFFAOYSA-N 0 1 350.198 3.942 40 0 FHABMN Cc1ccc(N2CCN(C[C@@H](O)c3c[nH]c4ccc(F)cc43)CC2)c(C)c1 ZINC000019132573 570880893 /nfs/dbraw/zinc/88/08/93/570880893.db2.gz DCSZNNAYBJOULZ-JOCHJYFZSA-N 0 1 367.468 3.779 40 0 FHABMN O=C(N[C@@H](c1ccccn1)C1CCN(Cc2ccccc2F)CC1)C1CC1 ZINC000019348859 570886726 /nfs/dbraw/zinc/88/67/26/570886726.db2.gz IEXZWOJXVQRHRE-OAQYLSRUSA-N 0 1 367.468 3.700 40 0 FHABMN CC(C)CC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000019446668 570889142 /nfs/dbraw/zinc/88/91/42/570889142.db2.gz KMJNYABWAOREAR-KNQAVFIVSA-N 0 1 366.509 3.592 40 0 FHABMN CCCn1nc(C)c(CN2CCN(CC3(c4ccccc4)CC3)CC2)c1C ZINC000019525845 570891559 /nfs/dbraw/zinc/89/15/59/570891559.db2.gz QCPCSZFKWPKLNX-UHFFFAOYSA-N 0 1 366.553 3.759 40 0 FHABMN Clc1cccc(OCCc2cc([C@@H]3CCCN3c3cnccn3)n[nH]2)c1 ZINC000019703695 570899062 /nfs/dbraw/zinc/89/90/62/570899062.db2.gz IBELEJNFZSDQPL-SFHVURJKSA-N 0 1 369.856 3.816 40 0 FHABMN CN1CCN(c2ccc(NC(=O)CCc3ccc(Cl)cc3)cc2)CC1 ZINC000021974308 570936818 /nfs/dbraw/zinc/93/68/18/570936818.db2.gz NKKJHXAMMYVYRG-UHFFFAOYSA-N 0 1 357.885 3.663 40 0 FHABMN Cc1cccc(OCCNC(=O)C2CCN(Cc3ccccc3F)CC2)c1 ZINC000224551046 570992791 /nfs/dbraw/zinc/99/27/91/570992791.db2.gz JAUGIMYFVVEKPZ-UHFFFAOYSA-N 0 1 370.468 3.541 40 0 FHABMN CCc1cccc(C)c1NS(=O)(=O)c1cc(C(=O)OC)ccc1Cl ZINC000026527553 571006219 /nfs/dbraw/zinc/00/62/19/571006219.db2.gz PAXVNIOPAWITJN-UHFFFAOYSA-N 0 1 367.854 3.798 40 0 FHABMN Cc1ccc(C)c(NC(=S)N2CCN(C3Cc4ccccc4C3)CC2)c1 ZINC000225209919 571021878 /nfs/dbraw/zinc/02/18/78/571021878.db2.gz MKCSBMJGPOHPBC-UHFFFAOYSA-N 0 1 365.546 3.785 40 0 FHABMN c1ccc([C@H]2CN(CC3CC3)Cc3cnc(Nc4cccnc4)nc32)cc1 ZINC000306136311 571039604 /nfs/dbraw/zinc/03/96/04/571039604.db2.gz PPRLEBZDZMSIHX-HXUWFJFHSA-N 0 1 357.461 3.973 40 0 FHABMN COCCn1ccnc1[C@@H]1CN(Cc2ccsc2)Cc2ccccc21 ZINC000306142720 571042391 /nfs/dbraw/zinc/04/23/91/571042391.db2.gz XHJAEQKUVRQRFY-LJQANCHMSA-N 0 1 353.491 3.739 40 0 FHABMN COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)cc1CN(C)C ZINC000257205063 571149833 /nfs/dbraw/zinc/14/98/33/571149833.db2.gz AXMFTANNRWJMHS-FPIWTNIKSA-N 0 1 359.510 3.632 40 0 FHABMN Cc1ncc2cncc(C3CCN(C(=O)c4ccc5ccccc5n4)CC3)n12 ZINC000257222997 571151801 /nfs/dbraw/zinc/15/18/01/571151801.db2.gz DVKOVVQVWNSYBL-UHFFFAOYSA-N 0 1 371.444 3.606 40 0 FHABMN Cc1cnc(Nc2nccnc2[C@H]2CCCN(Cc3cncs3)C2)s1 ZINC000257235829 571152877 /nfs/dbraw/zinc/15/28/77/571152877.db2.gz GZRUFIOIFWPSOY-ZDUSSCGKSA-N 0 1 372.523 3.821 40 0 FHABMN O=C(CN1CCCCC1)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257272378 571156707 /nfs/dbraw/zinc/15/67/07/571156707.db2.gz NCELMLPSVYZKQZ-LJQANCHMSA-N 0 1 371.456 3.554 40 0 FHABMN Cc1cccc(N2CCC([N@@H+](CCc3ccc(F)cc3)CC(=O)[O-])CC2)c1 ZINC000257274458 571156912 /nfs/dbraw/zinc/15/69/12/571156912.db2.gz NLDFLIHJQVRUEL-UHFFFAOYSA-N 0 1 370.468 3.732 40 0 FHABMN Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCCN2Cc2cnc[nH]2)n1 ZINC000257288539 571158320 /nfs/dbraw/zinc/15/83/20/571158320.db2.gz PUPCZYLLXBNMOD-KRWDZBQOSA-N 0 1 352.442 3.507 40 0 FHABMN O=C(c1ccn[nH]1)N1CCC(c2cccc(Cc3ccccc3F)n2)CC1 ZINC000072349799 571181023 /nfs/dbraw/zinc/18/10/23/571181023.db2.gz DCPNXRNQFKBDCB-UHFFFAOYSA-N 0 1 364.424 3.554 40 0 FHABMN Cc1nc([N-]c2nncs2)cc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072360101 571184082 /nfs/dbraw/zinc/18/40/82/571184082.db2.gz CKSAYASFOWJGCB-INIZCTEOSA-N 0 1 352.467 3.717 40 0 FHABMN Cc1nnc([N-]c2cncc([C@H]3CCC[N@H+]3CCc3ccccc3)n2)s1 ZINC000072376242 571186083 /nfs/dbraw/zinc/18/60/83/571186083.db2.gz MWELSAJZSKARDY-QGZVFWFLSA-N 0 1 366.494 3.760 40 0 FHABMN c1coc(CN2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306126640 571213123 /nfs/dbraw/zinc/21/31/23/571213123.db2.gz FASSEMJKYNJRFZ-GOSISDBHSA-N 0 1 359.433 3.764 40 0 FHABMN COc1cccc(CN2CC3(C2)C[C@H](OCc2cccc(C)n2)CS3)c1 ZINC000585105526 571223743 /nfs/dbraw/zinc/22/37/43/571223743.db2.gz YWJHQNYNXFUJPM-FQEVSTJZSA-N 0 1 370.518 3.675 40 0 FHABMN Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1C1CCCC1 ZINC000008334222 571300885 /nfs/dbraw/zinc/30/08/85/571300885.db2.gz DBFCQUHAFZAHCZ-PDGQHHTCSA-N 0 1 369.465 3.624 40 0 FHABMN O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2F)C1)C1CC1 ZINC000019348939 571304003 /nfs/dbraw/zinc/30/40/03/571304003.db2.gz YKWLJDCNBGOAHX-GHTZIAJQSA-N 0 1 367.468 3.700 40 0 FHABMN CC(C)COc1ccc(C(=O)Nc2ccccc2N2CCN(C)CC2)cc1 ZINC000033748035 571305838 /nfs/dbraw/zinc/30/58/38/571305838.db2.gz KYAUWYNFSXMRSM-UHFFFAOYSA-N 0 1 367.493 3.726 40 0 FHABMN Fc1ccccc1Oc1nccnc1[C@@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000257226035 571321800 /nfs/dbraw/zinc/32/18/00/571321800.db2.gz FIWDRBRMLJFKTK-CQSZACIVSA-N 0 1 353.401 3.511 40 0 FHABMN CCN(C(C)=O)[C@H]1C[N@@H+](Cc2c(C)nc3sccn23)C2(C1)CCCCC2 ZINC000019703845 571327163 /nfs/dbraw/zinc/32/71/63/571327163.db2.gz LIOWEEWWQGYKFT-QGZVFWFLSA-N 0 1 374.554 3.850 40 0 FHABMN O=C1NC(=O)/C(=C\c2c(OCc3ccc(F)cc3)ccc3ccccc32)N1 ZINC000409043974 940448728 /nfs/dbraw/zinc/44/87/28/940448728.db2.gz AHUKFBYEVIXORF-WOJGMQOQSA-N 0 1 362.360 3.738 40 0 FHABMN O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000005598885 204216911 /nfs/dbraw/zinc/21/69/11/204216911.db2.gz SBZNKYDWKLQXGT-UHFFFAOYSA-N 0 1 368.418 3.526 40 0 FHABMN O=C(Nc1nnc(SCCN2CCCCC2)s1)c1ccccc1F ZINC000035316085 204237917 /nfs/dbraw/zinc/23/79/17/204237917.db2.gz AIVOUNOKQRHONM-UHFFFAOYSA-N 0 1 366.487 3.508 40 0 FHABMN O[C@H](CSc1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000031666885 204919320 /nfs/dbraw/zinc/91/93/20/204919320.db2.gz VVGRGELMCDPQSV-SFHVURJKSA-N 0 1 362.926 3.615 40 0 FHABMN COc1ccc(Br)cc1S(=O)(=O)Nc1c(C)cccc1C ZINC000007409078 206244841 /nfs/dbraw/zinc/24/48/41/206244841.db2.gz IBXDXYUIIGAMCZ-UHFFFAOYSA-N 0 1 370.268 3.875 40 0 FHABMN CC(C)(C)OC(=O)N[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccc3ccccc3c2)C1 ZINC000215747142 206350473 /nfs/dbraw/zinc/35/04/73/206350473.db2.gz KLOYZXFPIGMFNV-ZWKOTPCHSA-N 0 1 370.449 3.565 40 0 FHABMN CNc1cc(N2CCc3cc(Br)ccc3C2)nc(C(C)C)n1 ZINC000329013159 132372685 /nfs/dbraw/zinc/37/26/85/132372685.db2.gz MPHASSWKVZSUPH-UHFFFAOYSA-N 0 1 361.287 3.967 40 0 FHABMN Cc1cc(N2Cc3ccccc3C(C)(C)C2)nc(N[C@H](CO)C(C)C)n1 ZINC000329026893 132372740 /nfs/dbraw/zinc/37/27/40/132372740.db2.gz POYYZHYMSBKHEU-GOSISDBHSA-N 0 1 354.498 3.512 40 0 FHABMN O[C@@H](c1cccnc1)c1ccccc1N1CCN(Cc2cccs2)CC1 ZINC000072340642 136144637 /nfs/dbraw/zinc/14/46/37/136144637.db2.gz FGQWEHGBRRYSPJ-NRFANRHFSA-N 0 1 365.502 3.547 40 0 FHABMN O=C([O-])[C@@H](Cc1ccco1)[NH2+]COCC1c2ccccc2-c2ccccc21 ZINC000390822556 527649016 /nfs/dbraw/zinc/64/90/16/527649016.db2.gz CQHASZVLDXOUIZ-OAQYLSRUSA-N 0 1 363.413 3.652 40 0 FHABMN CC[C@@H](C)Nc1nc(C(C)C)cc(N2CCc3cc([C@@H](C)O)ccc3C2)n1 ZINC000328993026 535568060 /nfs/dbraw/zinc/56/80/60/535568060.db2.gz IXQVOQKFVXSKME-HZPDHXFCSA-N 0 1 368.525 3.848 40 0 FHABMN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000113959948 535817810 /nfs/dbraw/zinc/81/78/10/535817810.db2.gz ZKTGXXCDVGFDRW-OAQYLSRUSA-N 0 1 367.493 3.543 40 0 FHABMN COc1ccccc1C(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1O ZINC000408627115 570592855 /nfs/dbraw/zinc/59/28/55/570592855.db2.gz KIDMOPXAQFICFX-UHFFFAOYSA-N 0 1 371.245 3.834 40 0 FHABMN CCOc1ccccc1NS(=O)(=O)c1ccc(OCC)c(OCC)c1 ZINC000007927771 570593452 /nfs/dbraw/zinc/59/34/52/570593452.db2.gz MZPRCLLBPQIUMW-UHFFFAOYSA-N 0 1 365.451 3.684 40 0 FHABMN OCCN(CCO)C(=Nc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000408734379 570685341 /nfs/dbraw/zinc/68/53/41/570685341.db2.gz OZMWXFBPYZGRLC-UHFFFAOYSA-N 0 1 374.484 3.802 40 0 FHABMN O=C1NC(=O)/C(=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)N1 ZINC000408919140 570699517 /nfs/dbraw/zinc/69/95/17/570699517.db2.gz 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/nfs/dbraw/zinc/18/61/38/571186138.db2.gz BFRRNVXXZOHTNA-MRXNPFEDSA-N 0 1 352.467 3.717 40 0 FHABMN CC(=O)N1CCC[C@@H]1c1cc(CCOc2cccc(C(F)(F)F)c2)[nH]n1 ZINC000072378307 571187061 /nfs/dbraw/zinc/18/70/61/571187061.db2.gz YFUIJJZDIQRFOY-QGZVFWFLSA-N 0 1 367.371 3.733 40 0 FHABMN Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@@]2(CCN2C[C@@H]2CCCO2)C1 ZINC000585102214 571222370 /nfs/dbraw/zinc/22/23/70/571222370.db2.gz ULWIPTDSVMSXMI-HTAPYJJXSA-N 0 1 374.525 3.745 40 0 FHABMN CCCCC(=O)N1CCC[C@H](N2CCc3cc(OC)c(OC)cc3[C@H]2C)C1 ZINC000253588958 571291802 /nfs/dbraw/zinc/29/18/02/571291802.db2.gz BPMSWIXPPOYMTI-AEFFLSMTSA-N 0 1 374.525 3.804 40 0 FHABMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(-c2ccccc2)cc1 ZINC000008477336 571301659 /nfs/dbraw/zinc/30/16/59/571301659.db2.gz XTBROWHWVQYFNI-XMHGGMMESA-N 0 1 360.413 3.758 40 0 FHABMN Cc1nc2cc([C@@H]3CC[N@H+](C[C@H](C)c4ccccc4)C3)[n-]n2c(=O)c1C ZINC000019555925 571303938 /nfs/dbraw/zinc/30/39/38/571303938.db2.gz OYBQMBDOBDDHAM-KBXCAEBGSA-N 0 1 350.466 3.645 40 0 FHABMN CCOc1cc([C@H](N)c2nnc(-c3ccc(Cl)cc3)[nH]2)ccc1OC ZINC000095534382 571331314 /nfs/dbraw/zinc/33/13/14/571331314.db2.gz LRUIWAFSKAKAEM-INIZCTEOSA-N 0 1 358.829 3.581 40 0 FHABMN CCOc1cc([C@H](N)c2nnc(-c3cccc(Cl)c3)[nH]2)ccc1OC ZINC000095534374 571331419 /nfs/dbraw/zinc/33/14/19/571331419.db2.gz JEZLBYVVGCBYML-INIZCTEOSA-N 0 1 358.829 3.581 40 0 FHABMN CCCC[C@H]1c2c(O)n(-c3ccccc3C)c(O)c2ON1c1ccccc1 ZINC000101038471 209220465 /nfs/dbraw/zinc/22/04/65/209220465.db2.gz SXZFTHLDQXMSFV-UFYCRDLUSA-N 0 1 364.445 3.864 40 0 FHABMN CCCC[C@H]1c2c(O)n(-c3ccccc3)c(O)c2ON1c1ccccc1 ZINC000101065686 209220223 /nfs/dbraw/zinc/22/02/23/209220223.db2.gz PRSOMMYGWKCUOK-FHWLQOOXSA-N 0 1 350.418 3.555 40 0 FHABMN Cc1cccc(CN2CCC(F)(F)[C@]3(CCN(c4cccnc4)C3)C2)n1 ZINC000096239566 209141864 /nfs/dbraw/zinc/14/18/64/209141864.db2.gz UHLYBTAAYWKNNY-LJQANCHMSA-N 0 1 358.436 3.523 40 0 FHABMN CSc1ccccc1NS(=O)(=O)c1cccc(Br)c1 ZINC000016130860 220178717 /nfs/dbraw/zinc/17/87/17/220178717.db2.gz ZLQNRORBJPRKRC-UHFFFAOYSA-N 0 1 358.282 3.972 40 0 FHABMN O=C(CN(c1n[nH]c(=S)s1)c1ccccc1)NCc1ccccc1 ZINC000008436046 207233572 /nfs/dbraw/zinc/23/35/72/207233572.db2.gz RXMCHAZZHZCNLD-UHFFFAOYSA-N 0 1 356.476 3.655 40 0 FHABMN CCOc1ccc(-c2cc(C(=O)N3CCn4cccc4[C@H]3CC)n[nH]2)cc1 ZINC000012147500 207344283 /nfs/dbraw/zinc/34/42/83/207344283.db2.gz BHKYMULHJRWOPT-LJQANCHMSA-N 0 1 364.449 3.884 40 0 FHABMN CCc1cc(=O)n2[n-]c([C@H]3CCCC[N@H+]3Cc3ccccc3OC)cc2n1 ZINC000012276480 207354180 /nfs/dbraw/zinc/35/41/80/207354180.db2.gz QFLYOEIYBJQBOP-GOSISDBHSA-N 0 1 366.465 3.733 40 0 FHABMN Cc1nc2cc([C@@H]3CCCC[N@H+]3Cc3cccc(F)c3)[n-]n2c(=O)c1C ZINC000012337775 207363060 /nfs/dbraw/zinc/36/30/60/207363060.db2.gz OUQQKVCINAWDPO-SFHVURJKSA-N 0 1 354.429 3.918 40 0 FHABMN c1cncc(CN2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)c1 ZINC000096038251 209098620 /nfs/dbraw/zinc/09/86/20/209098620.db2.gz RCQROCAYDAITRT-UHFFFAOYSA-N 0 1 370.460 3.566 40 0 FHABMN CCSc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000113958564 132247237 /nfs/dbraw/zinc/24/72/37/132247237.db2.gz FVUWAPGJKLVHJH-UHFFFAOYSA-N 0 1 355.507 3.803 40 0 FHABMN Cc1ccc(N2CCC([N@@H+](CCc3cccc(F)c3)CC(=O)[O-])CC2)cc1 ZINC000257228046 132295137 /nfs/dbraw/zinc/29/51/37/132295137.db2.gz FSCADWHYEDIATD-UHFFFAOYSA-N 0 1 370.468 3.732 40 0 FHABMN CNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C2CC2)n1 ZINC000329022994 132372567 /nfs/dbraw/zinc/37/25/67/132372567.db2.gz OPWDZALQVUYRSA-UHFFFAOYSA-N 0 1 364.371 3.857 40 0 FHABMN COc1ccc2c(c1)CCN(c1cc(C(C)C)nc(NC3CCCC3)n1)C2 ZINC000329043648 132372824 /nfs/dbraw/zinc/37/28/24/132372824.db2.gz STGUSFMVGCGINA-UHFFFAOYSA-N 0 1 366.509 3.948 40 0 FHABMN COc1ccc(CN(C)C(=O)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000039744357 263399585 /nfs/dbraw/zinc/39/95/85/263399585.db2.gz YBEXSMWHZPWNRY-UHFFFAOYSA-N 0 1 370.468 3.705 40 0 FHABMN COc1cccc2[nH]c(C[C@H]3C[N@@H+](CC(C)(C)C)CC[C@H]3CC(=O)[O-])nc21 ZINC000514288612 560034750 /nfs/dbraw/zinc/03/47/50/560034750.db2.gz JCTVSULGUWMMCR-GJZGRUSLSA-N 0 1 373.497 3.573 40 0 biogenic,in-vitro FHABMN COc1ccc2nc(CO[C@H]3CN(Cc4ccc(C)cc4)C[C@H]3F)[nH]c2c1 ZINC000096112268 560060768 /nfs/dbraw/zinc/06/07/68/560060768.db2.gz XNKAYVAJIXNHAL-XLIONFOSSA-N 0 1 369.440 3.619 40 0 biogenic,in-vitro FHABMN Cc1ccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(C(C)C)no2)cc1 ZINC000015676020 560094620 /nfs/dbraw/zinc/09/46/20/560094620.db2.gz ZWDBFKRLRJHVPZ-INIZCTEOSA-N 0 1 366.425 3.556 40 0 biogenic,in-vitro FHABMN Cc1cc(C)c(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c(C)c1 ZINC000223329931 568640845 /nfs/dbraw/zinc/64/08/45/568640845.db2.gz REHBTLGCCZKWLH-UHFFFAOYSA-N 0 1 366.826 3.501 40 0 FHABMN CO[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2)CC[C@@H]1Cc1ccccc1F ZINC000585278314 570490717 /nfs/dbraw/zinc/49/07/17/570490717.db2.gz BUOXBLOSYUFNQJ-UYAOXDASSA-N 0 1 357.425 3.604 40 0 FHABMN C=C1N=C(SC)N[C@@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408989430 570708283 /nfs/dbraw/zinc/70/82/83/570708283.db2.gz KSOBTRRDFNWWHU-ZDUSSCGKSA-N 0 1 369.284 3.650 40 0 FHABMN O=c1c2c(nc3cc(C4CC4)[n-]n31)CC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000012667008 570756001 /nfs/dbraw/zinc/75/60/01/570756001.db2.gz GNUKZBAEBKZWKR-UHFFFAOYSA-N 0 1 354.841 3.524 40 0 FHABMN O=c1c2c(nc3cc(C4CC4)[n-]n31)CC[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000012667008 570756008 /nfs/dbraw/zinc/75/60/08/570756008.db2.gz GNUKZBAEBKZWKR-UHFFFAOYSA-N 0 1 354.841 3.524 40 0 FHABMN CCCC[C@H]1c2c(O)n(-c3ccccc3)c(O)c2ON1c1ccccc1 ZINC000102732705 570768270 /nfs/dbraw/zinc/76/82/70/570768270.db2.gz PRSOMMYGWKCUOK-IPMKNSEASA-N 0 1 350.418 3.555 40 0 FHABMN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000003035111 570769431 /nfs/dbraw/zinc/76/94/31/570769431.db2.gz BODQAAOPFMKZHK-QGZVFWFLSA-N 0 1 356.809 3.668 40 0 FHABMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H]1NN=C(c2ccc(C)cc2)S1 ZINC000103613136 570771786 /nfs/dbraw/zinc/77/17/86/570771786.db2.gz YYQSOEJHPVKTAK-SFHVURJKSA-N 0 1 350.447 3.892 40 0 FHABMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(C)c3C)n2)cc1 ZINC000006141924 570778933 /nfs/dbraw/zinc/77/89/33/570778933.db2.gz ZYCFWYIIHUSXFN-UHFFFAOYSA-N 0 1 368.462 3.828 40 0 FHABMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000014155125 570845276 /nfs/dbraw/zinc/84/52/76/570845276.db2.gz QFOHHQXGTWJKRH-UHFFFAOYSA-N 0 1 359.234 3.617 40 0 FHABMN C[C@@H]1C[C@H]1C(=O)N1CCC(c2nc3ccccn3c2NC(C)(C)C)CC1 ZINC000019462805 570890157 /nfs/dbraw/zinc/89/01/57/570890157.db2.gz IMPPOBNSPPUYNM-GDBMZVCRSA-N 0 1 354.498 3.907 40 0 FHABMN CCN(CC)C(=O)CN1CCC[C@@H](c2ccc(Cc3ccccc3)cn2)C1 ZINC000019687294 570898461 /nfs/dbraw/zinc/89/84/61/570898461.db2.gz XIXLQAHMGHFNLG-OAQYLSRUSA-N 0 1 365.521 3.720 40 0 FHABMN CC[C@H](CN1CCOCC1)n1cncc1-c1[nH]c2ccc(C)cc2c1C ZINC000019719534 570900796 /nfs/dbraw/zinc/90/07/96/570900796.db2.gz VNUPLDOOTDZYIY-QGZVFWFLSA-N 0 1 352.482 3.932 40 0 FHABMN O=C(NCCCc1ccc(F)cc1)C1CCN(Cc2ccccc2F)CC1 ZINC000039773338 571024062 /nfs/dbraw/zinc/02/40/62/571024062.db2.gz DMVZDKAVRNTAQZ-UHFFFAOYSA-N 0 1 372.459 3.926 40 0 FHABMN COc1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)c(OC)c1 ZINC000039771966 571024113 /nfs/dbraw/zinc/02/41/13/571024113.db2.gz UXVVQYXSWJWPLX-UHFFFAOYSA-N 0 1 372.440 3.694 40 0 FHABMN COCCn1ccnc1[C@H]1CN(Cc2cccc(F)c2)Cc2ccccc21 ZINC000306137565 571040434 /nfs/dbraw/zinc/04/04/34/571040434.db2.gz QZZHRJLEPFRTOR-NRFANRHFSA-N 0 1 365.452 3.816 40 0 FHABMN c1coc(CN2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306141097 571042078 /nfs/dbraw/zinc/04/20/78/571042078.db2.gz VLFKGJMKHYVNHZ-SFHVURJKSA-N 0 1 359.433 3.764 40 0 FHABMN Cc1ccsc1CN1CC2(C1)C[C@@H](OCC1CCOCC1)CS2 ZINC000253599703 571138869 /nfs/dbraw/zinc/13/88/69/571138869.db2.gz SVRSSAHSTMDHIL-MRXNPFEDSA-N 0 1 353.553 3.560 40 0 FHABMN Fc1ccc(F)c(CN2CCC[C@H](Cc3cncc(-c4ncc[nH]4)n3)C2)c1 ZINC000257212935 571150970 /nfs/dbraw/zinc/15/09/70/571150970.db2.gz CFMOVGUOYCPGNB-CQSZACIVSA-N 0 1 369.419 3.600 40 0 FHABMN Cc1cc(C)nc(Nc2ccc([C@H]3CN(C4CCCCC4)CCO3)nc2)n1 ZINC000257230020 571152519 /nfs/dbraw/zinc/15/25/19/571152519.db2.gz GAKHFGXCYGBGII-HXUWFJFHSA-N 0 1 367.497 3.938 40 0 FHABMN Cc1noc(C)c1-c1ccc([C@@H]2CCCN(Cc3cnc(C)nc3)C2)nc1 ZINC000257315931 571161048 /nfs/dbraw/zinc/16/10/48/571161048.db2.gz VDILITZBAZYYAD-LJQANCHMSA-N 0 1 363.465 3.831 40 0 FHABMN CCN(CC)C(=O)CN1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072348747 571180170 /nfs/dbraw/zinc/18/01/70/571180170.db2.gz MNYNWZLXXWVLPU-KRWDZBQOSA-N 0 1 369.484 3.936 40 0 FHABMN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccccc1 ZINC000072414167 571192375 /nfs/dbraw/zinc/19/23/75/571192375.db2.gz HTRBCCLDTCFTFO-UHFFFAOYSA-N 0 1 356.241 3.567 40 0 FHABMN c1cncc(CN2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306129716 571213936 /nfs/dbraw/zinc/21/39/36/571213936.db2.gz IKVOQIJZPXQKLY-HXUWFJFHSA-N 0 1 370.460 3.566 40 0 FHABMN Cc1ccc(CN2CC3(C2)C[C@H](OCC2CCOCC2)CS3)s1 ZINC000585103367 571223555 /nfs/dbraw/zinc/22/35/55/571223555.db2.gz AVHRHJFSLLSLKV-INIZCTEOSA-N 0 1 353.553 3.560 40 0 FHABMN CC(C)(C)OC(=O)N1CCC[C@H]1CNCc1ccccc1Br ZINC000083264806 571278001 /nfs/dbraw/zinc/27/80/01/571278001.db2.gz YVAWAKKBNUBKIK-AWEZNQCLSA-N 0 1 369.303 3.938 40 0 FHABMN Fc1ccccc1Oc1nccnc1[C@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000257226034 571321783 /nfs/dbraw/zinc/32/17/83/571321783.db2.gz FIWDRBRMLJFKTK-AWEZNQCLSA-N 0 1 353.401 3.511 40 0 FHABMN Cc1cccnc1Nc1cc([C@H]2CCCN(Cc3ccnn3C)C2)ccn1 ZINC000257332772 210002898 /nfs/dbraw/zinc/00/28/98/210002898.db2.gz XYOJAALUTNUDQY-SFHVURJKSA-N 0 1 362.481 3.642 40 0 FHABMN CCc1ccccc1NC(=S)N1CCN(C2Cc3ccccc3C2)CC1 ZINC000225212358 209804299 /nfs/dbraw/zinc/80/42/99/209804299.db2.gz LIZHBSWLHQPQEA-UHFFFAOYSA-N 0 1 365.546 3.731 40 0 FHABMN C[C@H](CNC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccccc1 ZINC000224551237 209789148 /nfs/dbraw/zinc/78/91/48/209789148.db2.gz PLWLAAUILPGLOJ-QGZVFWFLSA-N 0 1 354.469 3.958 40 0 FHABMN Fc1ccc(CN2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)cc1F ZINC000049169821 209333535 /nfs/dbraw/zinc/33/35/35/209333535.db2.gz QTRAYGNPQZVKQK-INIZCTEOSA-N 0 1 355.388 3.928 40 0 biogenic,in-vitro FHABMN 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570679775 /nfs/dbraw/zinc/67/97/75/570679775.db2.gz PVAUFOVMEOONTA-UHFFFAOYSA-N 0 1 374.853 3.870 40 0 FHABMN CCOc1ccc(NC(=O)CSc2nc(-c3cccc(C)c3)n[nH]2)cc1 ZINC000008324203 570680372 /nfs/dbraw/zinc/68/03/72/570680372.db2.gz BSHLEBHCTLXDTL-UHFFFAOYSA-N 0 1 368.462 3.910 40 0 FHABMN Cc1c2ccccc2[nH]c1C[N@@H+]1CCc2nc(-c3ccccn3)[n-]c(=O)c2C1 ZINC000012122449 570720768 /nfs/dbraw/zinc/72/07/68/570720768.db2.gz DZQPKDBGQRXOMW-UHFFFAOYSA-N 0 1 371.444 3.592 40 0 FHABMN Cc1c2ccccc2[nH]c1C[N@H+]1CCc2nc(-c3ccccn3)[n-]c(=O)c2C1 ZINC000012122449 570720773 /nfs/dbraw/zinc/72/07/73/570720773.db2.gz DZQPKDBGQRXOMW-UHFFFAOYSA-N 0 1 371.444 3.592 40 0 FHABMN CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccc(C)cc2[nH]1 ZINC000005357752 570776321 /nfs/dbraw/zinc/77/63/21/570776321.db2.gz BFCOEMSFYVALTP-UHFFFAOYSA-N 0 1 369.446 3.779 40 0 FHABMN Cc1cccc(NC(=[NH2+])Nc2nc(C)c(Cc3ccccc3)c(=O)[n-]2)c1C ZINC000017074433 570869588 /nfs/dbraw/zinc/86/95/88/570869588.db2.gz SXXSKGLZVIEAMR-UHFFFAOYSA-N 0 1 361.449 3.745 40 0 FHABMN CN1CCN(CCOC(=O)N2c3ccccc3Sc3ccccc32)CC1 ZINC000019364912 570887629 /nfs/dbraw/zinc/88/76/29/570887629.db2.gz QYIHVVRJOZKQPA-UHFFFAOYSA-N 0 1 369.490 3.673 40 0 FHABMN COc1ccc2[nH]c(CN(C)Cc3ccccc3N3CCOCC3)cc2c1 ZINC000019715807 570899933 /nfs/dbraw/zinc/89/99/33/570899933.db2.gz FKSWXLLHLLVLAL-UHFFFAOYSA-N 0 1 365.477 3.645 40 0 FHABMN Cc1ccc2nc(SCc3ccc(C(=O)N4CCOCC4)cc3)[nH]c2c1 ZINC000005490812 570961027 /nfs/dbraw/zinc/96/10/27/570961027.db2.gz XEQTYGMFYUEAGY-UHFFFAOYSA-N 0 1 367.474 3.636 40 0 FHABMN COc1ccc2cc(S(=O)(=O)Nc3cc(OC)ccc3OC)ccc2c1 ZINC000224583963 570993555 /nfs/dbraw/zinc/99/35/55/570993555.db2.gz HYECKNISZUELLG-UHFFFAOYSA-N 0 1 373.430 3.666 40 0 FHABMN COc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1C ZINC000225087531 571014139 /nfs/dbraw/zinc/01/41/39/571014139.db2.gz NQLWJWJCXQDAJS-UHFFFAOYSA-N 0 1 355.843 3.775 40 0 FHABMN O=C(NC[C@H]1CCCO1)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000225265550 571025213 /nfs/dbraw/zinc/02/52/13/571025213.db2.gz AMEIVIDCENNOCW-OAHLLOKOSA-N 0 1 355.825 3.792 40 0 FHABMN CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccccc3F)CC[C@@H]21 ZINC000072330690 571178659 /nfs/dbraw/zinc/17/86/59/571178659.db2.gz YOKNWZCYBZJTLN-BJLQDIEVSA-N 0 1 358.482 3.724 40 0 FHABMN Cc1ccc([C@@H](C)CC[N@@H+]2CCc3nc(-c4ccncc4)[n-]c(=O)c3C2)o1 ZINC000072339829 571179297 /nfs/dbraw/zinc/17/92/97/571179297.db2.gz HJGUWYQNISKYNZ-AWEZNQCLSA-N 0 1 364.449 3.698 40 0 FHABMN Cc1ccc([C@@H](C)CC[N@H+]2CCc3nc(-c4ccncc4)[n-]c(=O)c3C2)o1 ZINC000072339829 571179300 /nfs/dbraw/zinc/17/93/00/571179300.db2.gz HJGUWYQNISKYNZ-AWEZNQCLSA-N 0 1 364.449 3.698 40 0 FHABMN CCN(CC)C(=O)CN1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000072348749 571180240 /nfs/dbraw/zinc/18/02/40/571180240.db2.gz RXHBNKHXQKAGEX-SFHVURJKSA-N 0 1 369.484 3.936 40 0 FHABMN COc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4ccn[nH]4)C3)n2)c1 ZINC000072349782 571181189 /nfs/dbraw/zinc/18/11/89/571181189.db2.gz HWTOQBHSFLIBNS-INIZCTEOSA-N 0 1 362.433 3.500 40 0 FHABMN O=C(c1ccn[nH]1)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072349807 571181414 /nfs/dbraw/zinc/18/14/14/571181414.db2.gz IAJPNUNNLBZUPZ-INIZCTEOSA-N 0 1 364.424 3.554 40 0 FHABMN O=C(c1ccn[nH]1)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072358058 571183302 /nfs/dbraw/zinc/18/33/02/571183302.db2.gz PLZSPUYRSYFYKG-IBGZPJMESA-N 0 1 350.397 3.512 40 0 FHABMN Cc1cccc(C[N@H+]2CCC[C@@H]2c2cncc([N-]c3nncs3)n2)c1 ZINC000072376315 571186001 /nfs/dbraw/zinc/18/60/01/571186001.db2.gz ZMHYJYGSRBOSOT-MRXNPFEDSA-N 0 1 352.467 3.717 40 0 FHABMN c1csc([N-]c2nccc([C@H]3CCCC[N@H+]3Cc3ccncc3)n2)n1 ZINC000072377628 571186572 /nfs/dbraw/zinc/18/65/72/571186572.db2.gz DMNWBERAAYXNFR-MRXNPFEDSA-N 0 1 352.467 3.799 40 0 FHABMN c1csc([N-]c2nccc([C@H]3CCCC[N@@H+]3Cc3ccncc3)n2)n1 ZINC000072377628 571186574 /nfs/dbraw/zinc/18/65/74/571186574.db2.gz DMNWBERAAYXNFR-MRXNPFEDSA-N 0 1 352.467 3.799 40 0 FHABMN CC(C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000033652946 571305620 /nfs/dbraw/zinc/30/56/20/571305620.db2.gz FYGAGWIRQGWYBY-UHFFFAOYSA-N 0 1 366.870 3.527 40 0 FHABMN Cc1ccc(NS(=O)(=O)c2cc3c(C)cc(=O)[nH]c3cc2Cl)cc1 ZINC000217434992 571347275 /nfs/dbraw/zinc/34/72/75/571347275.db2.gz WDLBVQJPNVKBFY-UHFFFAOYSA-N 0 1 362.838 3.599 40 0 FHABMN COc1ccc(C(=O)N[C@H](C)c2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 ZINC000005001882 210180099 /nfs/dbraw/zinc/18/00/99/210180099.db2.gz MCZIVZUQFKURPU-LLVKDONJSA-N 0 1 356.813 3.625 40 0 FHABMN COc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000005001882 210180101 /nfs/dbraw/zinc/18/01/01/210180101.db2.gz MCZIVZUQFKURPU-LLVKDONJSA-N 0 1 356.813 3.625 40 0 FHABMN CC(C)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(C2CC2)n1 ZINC000329039661 210132665 /nfs/dbraw/zinc/13/26/65/210132665.db2.gz RYIMXRPITPDVIX-UHFFFAOYSA-N 0 1 353.253 3.774 40 0 FHABMN CN(C)CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257297410 223055050 /nfs/dbraw/zinc/05/50/50/223055050.db2.gz RHDMOWRKEJMYBG-QGZVFWFLSA-N 0 1 361.873 3.534 40 0 FHABMN CN(C)Cc1cnn(-c2ccccc2C(=O)NCc2ccccc2Cl)c1 ZINC000257298764 223057086 /nfs/dbraw/zinc/05/70/86/223057086.db2.gz 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211224526 /nfs/dbraw/zinc/22/45/26/211224526.db2.gz PPPZPCFNJKUAEN-MRXNPFEDSA-N 0 1 366.461 3.635 40 0 FHABMN Clc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1 ZINC000019333915 211215652 /nfs/dbraw/zinc/21/56/52/211215652.db2.gz PAIOQJMXBNUFRB-UHFFFAOYSA-N 0 1 355.829 3.560 40 0 FHABMN CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000019081985 211201004 /nfs/dbraw/zinc/20/10/04/211201004.db2.gz WTBFKTLBPMKSLY-UYAOXDASSA-N 0 1 366.509 3.592 40 0 FHABMN Cc1ccc(N2CCC([N@@H+](CCc3ccccc3)CC(=O)[O-])CC2)cc1 ZINC000257251766 132295355 /nfs/dbraw/zinc/29/53/55/132295355.db2.gz JSCOKHYEJCOWGR-UHFFFAOYSA-N 0 1 352.478 3.593 40 0 FHABMN COc1cccc(C[N@@H+](CC(=O)[O-])C2CCN(c3ccc(C)cc3)CC2)c1 ZINC000257261941 132295853 /nfs/dbraw/zinc/29/58/53/132295853.db2.gz LJJNLCKRKNMVOL-UHFFFAOYSA-N 0 1 368.477 3.559 40 0 FHABMN O=C([O-])C[N@@H+](CCCc1ccccc1)C1CCN(c2cccc(F)c2)CC1 ZINC000257311449 132296853 /nfs/dbraw/zinc/29/68/53/132296853.db2.gz UJNHMFMTYCMASE-UHFFFAOYSA-N 0 1 370.468 3.814 40 0 FHABMN CCN1CCN(c2ncc(-c3cc(C)no3)c(-c3ccc(C)s3)n2)CC1 ZINC000072337388 136144601 /nfs/dbraw/zinc/14/46/01/136144601.db2.gz YRHOHSUMEDFPJA-UHFFFAOYSA-N 0 1 369.494 3.619 40 0 FHABMN CC[C@H](C)NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000020241776 263378541 /nfs/dbraw/zinc/37/85/41/263378541.db2.gz LBMIIHJMILENIC-IBGZPJMESA-N 0 1 365.521 3.533 40 0 FHABMN Cc1noc([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)C2)n1 ZINC000257271876 534460055 /nfs/dbraw/zinc/46/00/55/534460055.db2.gz NADSPACPZDXCBI-QGZVFWFLSA-N 0 1 363.417 3.733 40 0 FHABMN c1ncc(CN2CCC(Cc3cc(Nc4ccccn4)ncn3)CC2)s1 ZINC000257241349 534542861 /nfs/dbraw/zinc/54/28/61/534542861.db2.gz HXTAKUIRZSBQEL-UHFFFAOYSA-N 0 1 366.494 3.526 40 0 FHABMN COc1cccc(NC(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)c1 ZINC000019928139 526177921 /nfs/dbraw/zinc/17/79/21/526177921.db2.gz REGRTHBYGOGWRO-UHFFFAOYSA-N 0 1 374.853 3.865 40 0 FHABMN CC(C)c1cc(C(=O)N2CCC[C@H]2c2nccc(CN(C)C)n2)cs1 ZINC000257258018 528020663 /nfs/dbraw/zinc/02/06/63/528020663.db2.gz KSBFDIMPSHXPOK-INIZCTEOSA-N 0 1 358.511 3.700 40 0 FHABMN CCCOc1ccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCC[C@H]3O2)cc1CN(C)C ZINC000257343585 528726221 /nfs/dbraw/zinc/72/62/21/528726221.db2.gz ZTOXLDMNVZFUTJ-YVNJGZBMSA-N 0 1 374.525 3.672 40 0 FHABMN CCNc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(C2CC2)n1 ZINC000328997264 535522708 /nfs/dbraw/zinc/52/27/08/535522708.db2.gz JNHMPYLNWBKJRJ-UHFFFAOYSA-N 0 1 352.482 3.576 40 0 FHABMN CCOc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccccc2C)n1 ZINC000408528139 570509804 /nfs/dbraw/zinc/50/98/04/570509804.db2.gz RYWKJBFCZMGZRN-UHFFFAOYSA-N 0 1 368.462 3.910 40 0 FHABMN COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000408609366 570582231 /nfs/dbraw/zinc/58/22/31/570582231.db2.gz ZUUMFQQGFNDRLK-OAHLLOKOSA-N 0 1 362.838 3.566 40 0 FHABMN CCOc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1OCC ZINC000007361145 570588655 /nfs/dbraw/zinc/58/86/55/570588655.db2.gz HPEIOUFPDIVHMA-UHFFFAOYSA-N 0 1 365.451 3.602 40 0 FHABMN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000123204021 570593052 /nfs/dbraw/zinc/59/30/52/570593052.db2.gz NHEYOTBDDLCIND-UHFFFAOYSA-N 0 1 373.352 3.601 40 0 FHABMN O=C(COc1ccccc1)NC(=S)Nc1cc(Cl)cc(Cl)c1O ZINC000408628033 570593986 /nfs/dbraw/zinc/59/39/86/570593986.db2.gz PSAPYLVIKNTLJV-UHFFFAOYSA-N 0 1 371.245 3.591 40 0 FHABMN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(NC(C)=O)c1 ZINC000408700185 570654028 /nfs/dbraw/zinc/65/40/28/570654028.db2.gz BPSKUYIVFHJQFK-UHFFFAOYSA-N 0 1 362.451 3.578 40 0 FHABMN COc1ccc(-c2c(C)nn3cc(C(=O)c4ccccc4O)cnc23)cc1 ZINC000012115668 570719370 /nfs/dbraw/zinc/71/93/70/570719370.db2.gz ONYNVBHVXMVQOC-UHFFFAOYSA-N 0 1 359.385 3.650 40 0 FHABMN COc1cc(CNc2n[nH]c3nc(C)cc(C(F)(F)F)c23)cc(OC)c1 ZINC000012115912 570719673 /nfs/dbraw/zinc/71/96/73/570719673.db2.gz CZUPFAJKDDNHBB-UHFFFAOYSA-N 0 1 366.343 3.914 40 0 FHABMN CC(C)(C)C(=O)N[C@@H](c1nccs1)C1CCN(Cc2ccccn2)CC1 ZINC000012133643 570720640 /nfs/dbraw/zinc/72/06/40/570720640.db2.gz UAAJTKDXVKSODU-QGZVFWFLSA-N 0 1 372.538 3.654 40 0 FHABMN CCOC(=O)c1cc(Cl)cnc1C1CCN(Cc2ccncc2)CC1 ZINC000012144045 570722109 /nfs/dbraw/zinc/72/21/09/570722109.db2.gz NKCVUOJZRDVGIO-UHFFFAOYSA-N 0 1 359.857 3.686 40 0 FHABMN Cc1ccc(CN(Cc2cccn2-c2ccc(C)cn2)C[C@@H](C)O)s1 ZINC000012147976 570723128 /nfs/dbraw/zinc/72/31/28/570723128.db2.gz QBYMVZVVJJSUQW-MRXNPFEDSA-N 0 1 355.507 3.934 40 0 FHABMN O=C(Nc1ccccc1F)c1ccccc1NS(=O)(=O)c1ccccc1 ZINC000409411451 570757582 /nfs/dbraw/zinc/75/75/82/570757582.db2.gz XBASEQKAJUHKPG-UHFFFAOYSA-N 0 1 370.405 3.879 40 0 FHABMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000007053426 570789249 /nfs/dbraw/zinc/78/92/49/570789249.db2.gz YUFNUHBNDQYSQB-UHFFFAOYSA-N 0 1 356.241 3.567 40 0 FHABMN COc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000010475498 570838989 /nfs/dbraw/zinc/83/89/89/570838989.db2.gz KCVBPWKYKWXEIE-UHFFFAOYSA-N 0 1 374.853 3.865 40 0 FHABMN C[C@@H](CNC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccccc1 ZINC000224551186 570992768 /nfs/dbraw/zinc/99/27/68/570992768.db2.gz PLWLAAUILPGLOJ-KRWDZBQOSA-N 0 1 354.469 3.958 40 0 FHABMN COCc1cccc(NS(=O)(=O)c2cc3c(cc2OC)CCCC3)c1 ZINC000225188100 571021025 /nfs/dbraw/zinc/02/10/25/571021025.db2.gz ABPDXAFPQXSZKC-UHFFFAOYSA-N 0 1 361.463 3.521 40 0 FHABMN COc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2OC)c(C)c1 ZINC000029046245 571036515 /nfs/dbraw/zinc/03/65/15/571036515.db2.gz LIUYTZAUVCTOBF-UHFFFAOYSA-N 0 1 355.843 3.775 40 0 FHABMN C[C@H](C(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccncc2)C1)c1ccccc1 ZINC000072334778 571178932 /nfs/dbraw/zinc/17/89/32/571178932.db2.gz ZPZCHAADGSGCDF-QFBILLFUSA-N 0 1 360.461 3.981 40 0 FHABMN O=C(c1ccn[nH]1)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072349806 571181445 /nfs/dbraw/zinc/18/14/45/571181445.db2.gz IAJPNUNNLBZUPZ-MRXNPFEDSA-N 0 1 364.424 3.554 40 0 FHABMN CN(C)CC(=O)N1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072350128 571181749 /nfs/dbraw/zinc/18/17/49/571181749.db2.gz AUOIKTKQBVCZQQ-KRWDZBQOSA-N 0 1 371.912 3.593 40 0 FHABMN Cc1c(CN2CCC[C@@H]2c2ccc(Nc3cccc(C)n3)cn2)cnn1C ZINC000072353081 571181972 /nfs/dbraw/zinc/18/19/72/571181972.db2.gz NWWJANNLCYBHJW-HXUWFJFHSA-N 0 1 362.481 3.908 40 0 FHABMN Cc1cc(Nc2ccccn2)nc([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072359986 571184169 /nfs/dbraw/zinc/18/41/69/571184169.db2.gz XLSYPWKYYWBLLZ-SFHVURJKSA-N 0 1 360.465 3.698 40 0 FHABMN O=C(c1ccccn1)N1CCC[C@H](c2[nH]ncc2-c2cccc(F)c2)C1 ZINC000072380315 571187641 /nfs/dbraw/zinc/18/76/41/571187641.db2.gz RLBIFGJNPUHBEO-HNNXBMFYSA-N 0 1 350.397 3.631 40 0 FHABMN O=C(c1ccn[nH]1)N1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1 ZINC000072384029 571188990 /nfs/dbraw/zinc/18/89/90/571188990.db2.gz ZVAHXQMGLQTMFW-INIZCTEOSA-N 0 1 369.812 3.623 40 0 FHABMN O=c1cc(C2CC[NH+](Cc3ccc(F)cc3)CC2)nc(-c2ccccn2)[n-]1 ZINC000072392815 571190208 /nfs/dbraw/zinc/19/02/08/571190208.db2.gz LCRWZKLEARXQPS-UHFFFAOYSA-N 0 1 364.424 3.763 40 0 FHABMN Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@]2(CCN2C[C@H]2CCCO2)C1 ZINC000585102219 571222459 /nfs/dbraw/zinc/22/24/59/571222459.db2.gz ULWIPTDSVMSXMI-VGSWGCGISA-N 0 1 374.525 3.745 40 0 FHABMN COc1ccc(Cl)cc1C(=O)N1CC[C@H](N2CCc3ccccc3C2)C1 ZINC000238864399 571281745 /nfs/dbraw/zinc/28/17/45/571281745.db2.gz LKVCESYFNUNTFH-SFHVURJKSA-N 0 1 370.880 3.621 40 0 FHABMN CCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000006352246 571296172 /nfs/dbraw/zinc/29/61/72/571296172.db2.gz YFMVZPNUWWWLNX-UHFFFAOYSA-N 0 1 366.870 3.507 40 0 FHABMN O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2F)C1)C1CC1 ZINC000019348937 571303819 /nfs/dbraw/zinc/30/38/19/571303819.db2.gz YKWLJDCNBGOAHX-WIYYLYMNSA-N 0 1 367.468 3.700 40 0 FHABMN CCOc1ccc([C@H](N)c2nnc(-c3cccc(Cl)c3)[nH]2)cc1OC ZINC000095534230 571331436 /nfs/dbraw/zinc/33/14/36/571331436.db2.gz PBXLIBICRJVABI-INIZCTEOSA-N 0 1 358.829 3.581 40 0 FHABMN COc1ccc(C)cc1NS(=O)(=O)c1cccc(Br)c1 ZINC000006919668 210089567 /nfs/dbraw/zinc/08/95/67/210089567.db2.gz SPHNIOVEVCPXGK-UHFFFAOYSA-N 0 1 356.241 3.567 40 0 FHABMN CC(C)CN1c2ccccc2C2(CCN(Cc3ccco3)CC2)S1(=O)=O ZINC000306133240 210053456 /nfs/dbraw/zinc/05/34/56/210053456.db2.gz 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ZINC000257345027 223073196 /nfs/dbraw/zinc/07/31/96/223073196.db2.gz ZZQAVPVCTYNHDQ-SFHVURJKSA-N 0 1 363.469 3.682 40 0 FHABMN Cc1nn(C)c(C)c1CN1CCC[C@H]1c1ccnc(Nc2ccccn2)c1 ZINC000257343752 223073685 /nfs/dbraw/zinc/07/36/85/223073685.db2.gz ZUGRSVJKTVIBIP-IBGZPJMESA-N 0 1 362.481 3.908 40 0 FHABMN O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000020454967 211281689 /nfs/dbraw/zinc/28/16/89/211281689.db2.gz LJWPWDBWCVQSGV-UHFFFAOYSA-N 0 1 368.418 3.526 40 0 FHABMN COCCCN(Cc1ccccn1)Cc1ccc2cc(OC)ccc2n1 ZINC000019593277 211241118 /nfs/dbraw/zinc/24/11/18/211241118.db2.gz PWRLHSDUJVBGDJ-UHFFFAOYSA-N 0 1 351.450 3.677 40 0 FHABMN Fc1ccccc1CN(Cc1[nH]nnc1-c1ccccc1)C[C@H]1CCCO1 ZINC000019373946 211218201 /nfs/dbraw/zinc/21/82/01/211218201.db2.gz MWYRZDNDEIJORY-GOSISDBHSA-N 0 1 366.440 3.792 40 0 FHABMN O=c1cc([C@@H]2CCCCN2Cc2cccs2)nc(-c2ccncc2)[nH]1 ZINC000019343479 211216543 /nfs/dbraw/zinc/21/65/43/211216543.db2.gz OCLWFEXEIUTSCV-KRWDZBQOSA-N 0 1 352.463 3.621 40 0 FHABMN O=C(c1cc(C2CCN(Cc3cccc(F)c3)CC2)no1)N1CCCCC1 ZINC000019293795 211214122 /nfs/dbraw/zinc/21/41/22/211214122.db2.gz AHVYTMJUUFATDI-UHFFFAOYSA-N 0 1 371.456 3.819 40 0 FHABMN CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CCN(Cc2ccccn2)CC1 ZINC000019082083 211201395 /nfs/dbraw/zinc/20/13/95/211201395.db2.gz QTKBKTVCQVGVPY-FQEVSTJZSA-N 0 1 366.509 3.592 40 0 FHABMN Cc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccc(C(=O)[O-])cc4)C3)o2)cc1 ZINC000049169889 221021264 /nfs/dbraw/zinc/02/12/64/221021264.db2.gz KKEMZWGVTZGJOJ-SFHVURJKSA-N 0 1 363.417 3.733 40 0 biogenic,in-vitro FHABMN CNc1cc(N2CCc3cc(Br)ccc3C2)nc(C2CC2)n1 ZINC000328978441 132297484 /nfs/dbraw/zinc/29/74/84/132297484.db2.gz FZXXUPWRJYXJDB-UHFFFAOYSA-N 0 1 359.271 3.721 40 0 FHABMN Cc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(NC2CCCC2)n1 ZINC000329066913 132373153 /nfs/dbraw/zinc/37/31/53/132373153.db2.gz YESGXCXWPWKVPL-OAHLLOKOSA-N 0 1 352.482 3.756 40 0 FHABMN CCc1[n-]n2c(nc(CCCn3cc[nH+]c3C)cc2=O)c1-c1ccccc1 ZINC000100733105 222250079 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3.789 40 0 FHABMN O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2F)C1)C1CC1 ZINC000072398549 571190835 /nfs/dbraw/zinc/19/08/35/571190835.db2.gz YKWLJDCNBGOAHX-NQIIRXRSSA-N 0 1 367.468 3.700 40 0 FHABMN Cc1nc2cc([C@H]3CC[N@H+](C[C@H](C)c4ccccc4)C3)[n-]n2c(=O)c1C ZINC000248167088 571291284 /nfs/dbraw/zinc/29/12/84/571291284.db2.gz OYBQMBDOBDDHAM-KSSFIOAISA-N 0 1 350.466 3.645 40 0 FHABMN O=C(N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)C1CC1 ZINC000012365826 571303455 /nfs/dbraw/zinc/30/34/55/571303455.db2.gz BESPTAZEFHQBGC-SJLPKXTDSA-N 0 1 373.497 3.762 40 0 FHABMN CCc1ccc(N2C(=O)C(=Cc3cccc(OC)c3)C(=O)NC2=S)cc1 ZINC000033625299 571305625 /nfs/dbraw/zinc/30/56/25/571305625.db2.gz SYERCLCRUIXYKQ-SFQUDFHCSA-N 0 1 366.442 3.929 40 0 FHABMN CCOC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000107614430 571306846 /nfs/dbraw/zinc/30/68/46/571306846.db2.gz UPKMRHAROQDZLI-UHFFFAOYSA-N 0 1 367.854 3.934 40 0 FHABMN C[C@@H](NC(=O)NCc1ccccc1)c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000005001884 210179250 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570651468 /nfs/dbraw/zinc/65/14/68/570651468.db2.gz MSPWVBMPOZAPAL-UHFFFAOYSA-N 0 1 350.532 3.953 40 0 FHABMN CCc1n[nH]c(SCC(=O)N(C2CCCCC2)C2CCCCC2)n1 ZINC000006674602 570651472 /nfs/dbraw/zinc/65/14/72/570651472.db2.gz MSPWVBMPOZAPAL-UHFFFAOYSA-N 0 1 350.532 3.953 40 0 FHABMN CCOc1ccc(CN2CCC[C@@H](n3c4ccccc4oc3=O)C2)cc1 ZINC000012119119 570720305 /nfs/dbraw/zinc/72/03/05/570720305.db2.gz RCIYSFJSMKMOJC-QGZVFWFLSA-N 0 1 352.434 3.830 40 0 FHABMN COc1ccc2cc(CN(C)[C@H](C)Cc3ccccn3)c(OC)nc2c1 ZINC000012148177 570723105 /nfs/dbraw/zinc/72/31/05/570723105.db2.gz KDPUDVQJKPYIQY-OAHLLOKOSA-N 0 1 351.450 3.710 40 0 FHABMN O=C(Nc1ccc(Oc2cccnc2)cc1)c1cc(-c2ccccn2)n[nH]1 ZINC000012147288 570723179 /nfs/dbraw/zinc/72/31/79/570723179.db2.gz FAVZEGPJMAMRRW-UHFFFAOYSA-N 0 1 357.373 3.911 40 0 FHABMN CCSc1ncc(CN2CCC[C@@](O)(c3ccc(F)cc3)CC2)cn1 ZINC000012188848 570725235 /nfs/dbraw/zinc/72/52/35/570725235.db2.gz AHXPKXBRGRBMSW-IBGZPJMESA-N 0 1 361.486 3.601 40 0 FHABMN 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/nfs/dbraw/zinc/33/13/92/571331392.db2.gz UZHDIGATXHLWMR-QGZVFWFLSA-N 0 1 372.856 3.971 40 0 FHABMN O=C(Nn1c(=O)c2ccc(Cl)cc2nc1C1CCC1)c1cccs1 ZINC000001365068 219398670 /nfs/dbraw/zinc/39/86/70/219398670.db2.gz PSEUQVYCZVUISF-UHFFFAOYSA-N 0 1 359.838 3.763 40 0 FHABMN O=C([O-])[C@@H]1[C@@H](c2ccccc2)[C@@H]2C(=O)CCCC[C@H]2[N@H+]1Cc1ccccc1 ZINC000254286891 222997605 /nfs/dbraw/zinc/99/76/05/222997605.db2.gz PHRDQWTYDOYLKH-GBAJDQEWSA-N 0 1 363.457 3.867 40 0 FHABMN Cc1ccc(Nc2nc([C@H]3CCCN(Cc4cnn(C)c4)C3)cs2)nc1 ZINC000257199742 223015728 /nfs/dbraw/zinc/01/57/28/223015728.db2.gz AARCMZVFQIIOCD-INIZCTEOSA-N 0 1 368.510 3.703 40 0 FHABMN Cc1cccnc1Nc1nccnc1C1CCN(Cc2cncs2)CC1 ZINC000257232760 223030489 /nfs/dbraw/zinc/03/04/89/223030489.db2.gz GMGRRIBTEFHXGH-UHFFFAOYSA-N 0 1 366.494 3.760 40 0 FHABMN Fc1ccc(CN2CCC(c3ccnc(Nc4cnccn4)c3)CC2)nc1 ZINC000257236214 223032453 /nfs/dbraw/zinc/03/24/53/223032453.db2.gz HBFKEGJFOAXXPZ-UHFFFAOYSA-N 0 1 364.428 3.529 40 0 FHABMN Cc1cccc(CN2[C@H](c3ccc(F)cc3)C[C@H]3NC(=O)CCCC[C@@H]32)n1 ZINC000257277715 223047928 /nfs/dbraw/zinc/04/79/28/223047928.db2.gz NZCNNRYNKGVTDS-HKBOAZHASA-N 0 1 367.468 3.904 40 0 FHABMN c1ccc(CN2C[C@]3(CC[N@@H+](Cc4ccccn4)C3)c3ncccc32)cc1 ZINC000306136812 223111599 /nfs/dbraw/zinc/11/15/99/223111599.db2.gz QEAYMPSBBAERBQ-HSZRJFAPSA-N 0 1 356.473 3.641 40 0 FHABMN C[C@H]1C[N@@H+](C[C@@H](Cc2ccccc2)C(=O)[O-])CC[C@@]1(C)c1cccc(O)c1 ZINC000013737815 220092321 /nfs/dbraw/zinc/09/23/21/220092321.db2.gz KSBSLJKYJXTATP-GEQKSPFYSA-N 0 1 367.489 3.935 40 0 FHABMN CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000019081987 220235254 /nfs/dbraw/zinc/23/52/54/220235254.db2.gz WTBFKTLBPMKSLY-ICSRJNTNSA-N 0 1 366.509 3.592 40 0 FHABMN CC(C)CC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000019446672 220257444 /nfs/dbraw/zinc/25/74/44/220257444.db2.gz KMJNYABWAOREAR-UGKGYDQZSA-N 0 1 366.509 3.592 40 0 FHABMN COc1ccc(CN2[C@@H]3CC[C@H]2Cc2ncccc23)cc1Cn1cccn1 ZINC000019559433 220270732 /nfs/dbraw/zinc/27/07/32/220270732.db2.gz NTCMAOWXTSQAFB-GHTZIAJQSA-N 0 1 360.461 3.597 40 0 FHABMN Cc1nc(C)c(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)s1 ZINC000019560166 220270913 /nfs/dbraw/zinc/27/09/13/220270913.db2.gz IEEPRFBIMVGKHL-KZNAEPCWSA-N 0 1 373.497 3.601 40 0 FHABMN COc1ccc(-c2cc(C(=O)Nc3cccc(-n4cccn4)c3)[nH]n2)cc1 ZINC000019660045 220282874 /nfs/dbraw/zinc/28/28/74/220282874.db2.gz JEJJKXWDIPJYAJ-UHFFFAOYSA-N 0 1 359.389 3.523 40 0 FHABMN C[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(Br)cc1 ZINC000022234039 220380242 /nfs/dbraw/zinc/38/02/42/220380242.db2.gz NBUCMGVUROEPMN-NSHDSACASA-N 0 1 371.234 3.782 40 0 FHABMN O=C(CNCc1ccc(F)cc1)Nc1ccc(N2CCCCCC2)cc1 ZINC000057698787 221092823 /nfs/dbraw/zinc/09/28/23/221092823.db2.gz XPJOITHIKBNPQD-UHFFFAOYSA-N 0 1 355.457 3.934 40 0 FHABMN Cc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(NC2CC2)n1 ZINC000328983732 132372091 /nfs/dbraw/zinc/37/20/91/132372091.db2.gz HJLJEOLPLCFJPV-UHFFFAOYSA-N 0 1 364.371 3.821 40 0 FHABMN CC(C)c1nc(N[C@H](C)CO)cc(N2CCc3cc(Cl)ccc3C2)n1 ZINC000329010144 132372282 /nfs/dbraw/zinc/37/22/82/132372282.db2.gz LZOXPVCNQFJFAO-CYBMUJFWSA-N 0 1 360.889 3.609 40 0 FHABMN CC(C)c1nc(NC2CC2)cc(N2CCc3cc([C@H](C)O)ccc3C2)n1 ZINC000329019281 132372492 /nfs/dbraw/zinc/37/24/92/132372492.db2.gz NVWWBXFMCRWKIS-AWEZNQCLSA-N 0 1 352.482 3.790 40 0 FHABMN Cc1cc(N2CCc3ccc(Br)cc3C2)nc(NC2CC2)n1 ZINC000329036044 132372873 /nfs/dbraw/zinc/37/28/73/132372873.db2.gz RHQHHEYEJYSJJB-UHFFFAOYSA-N 0 1 359.271 3.685 40 0 FHABMN COC(=O)c1ccc2c(c1)CCN(c1cc(NC3CC3)nc(C(C)C)n1)C2 ZINC000329047105 132373124 /nfs/dbraw/zinc/37/31/24/132373124.db2.gz UEUGUTYPQRKDMV-UHFFFAOYSA-N 0 1 366.465 3.524 40 0 FHABMN O[C@H](c1nccs1)c1ccccc1N1CCN(Cc2cccs2)CC1 ZINC000072340473 136144608 /nfs/dbraw/zinc/14/46/08/136144608.db2.gz GPJXGGSMVKOMGM-SFHVURJKSA-N 0 1 371.531 3.609 40 0 FHABMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000073092496 221558013 /nfs/dbraw/zinc/55/80/13/221558013.db2.gz BAIRERFSBZHNNX-UHFFFAOYSA-N 0 1 366.442 3.562 40 0 FHABMN Cc1cccc(CN2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)n1 ZINC000096239610 222095117 /nfs/dbraw/zinc/09/51/17/222095117.db2.gz FATVPHHEOZMEKI-LJQANCHMSA-N 0 1 358.436 3.523 40 0 FHABMN COc1ccc(C)cc1C[N@H+]1CCCC[C@@H]1c1cc2nc(C)cc(=O)n2[n-]1 ZINC000100732632 222250750 /nfs/dbraw/zinc/25/07/50/222250750.db2.gz VCGVKBNHCYGDCN-GOSISDBHSA-N 0 1 366.465 3.788 40 0 FHABMN CCOc1c(Br)cc(CNCc2ccncc2)cc1OC ZINC000006870200 263347866 /nfs/dbraw/zinc/34/78/66/263347866.db2.gz OFNIZRQAAWRZMY-UHFFFAOYSA-N 0 1 351.244 3.541 40 0 FHABMN O[C@@H](CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 ZINC000025217791 263388631 /nfs/dbraw/zinc/38/86/31/263388631.db2.gz OLYOSAMUPWLZNO-SFHVURJKSA-N 0 1 368.374 3.700 40 0 FHABMN CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3C)n[nH]2)cc1 ZINC000020195628 518361634 /nfs/dbraw/zinc/36/16/34/518361634.db2.gz UHVRXBWNYHQGFY-UHFFFAOYSA-N 0 1 366.446 3.714 40 0 FHABMN NC(=O)c1ccc(-c2ccc([C@@H]3CCCCN3Cc3ccccn3)cn2)cc1 ZINC000257210751 534473473 /nfs/dbraw/zinc/47/34/73/534473473.db2.gz BWAOUMRSDXSZAT-QFIPXVFZSA-N 0 1 372.472 3.970 40 0 FHABMN Fc1ccc(Cc2cnc([C@H]3CCCN(Cc4cnccn4)C3)o2)cc1 ZINC000257213783 534474168 /nfs/dbraw/zinc/47/41/68/534474168.db2.gz CJBGBNZVPWPIAE-INIZCTEOSA-N 0 1 352.413 3.574 40 0 FHABMN NC(=O)c1ccc(-c2ccc([C@H]3CCCCN3Cc3ccccn3)cn2)cc1 ZINC000257210750 534474299 /nfs/dbraw/zinc/47/42/99/534474299.db2.gz BWAOUMRSDXSZAT-JOCHJYFZSA-N 0 1 372.472 3.970 40 0 FHABMN CCNc1cc([C@@H]2CCCN2CC2=Cc3ccccc3OC2)nc(C)n1 ZINC000257309490 528427048 /nfs/dbraw/zinc/42/70/48/528427048.db2.gz UBDPWJQNBHPRMR-IBGZPJMESA-N 0 1 350.466 3.830 40 0 FHABMN CC[C@H](C)Nc1nc(C(C)C)cc(N2CCc3cc([C@@H](C)O)ccc3C2)n1 ZINC000328993027 536148985 /nfs/dbraw/zinc/14/89/85/536148985.db2.gz IXQVOQKFVXSKME-JKSUJKDBSA-N 0 1 368.525 3.848 40 0 FHABMN CCCN1C[C@@H]2[C@H](C1)Oc1cc(-c3ccc(F)cc3F)ccc1C(=O)N2C ZINC000514289861 560031166 /nfs/dbraw/zinc/03/11/66/560031166.db2.gz PJYDHLRITZOMSJ-QUCCMNQESA-N 0 1 372.415 3.559 40 0 biogenic,in-vitro FHABMN COc1ccccc1[C@@H](C)NC(=O)C1CCN(Cc2ccccc2F)CC1 ZINC000223340093 568642507 /nfs/dbraw/zinc/64/25/07/568642507.db2.gz VFRVBEKEALMGGI-MRXNPFEDSA-N 0 1 370.468 3.924 40 0 FHABMN O=C(c1ccccc1Nc1ccc(SC(F)F)cc1)N1CCNCC1 ZINC000000942374 570641510 /nfs/dbraw/zinc/64/15/10/570641510.db2.gz GVGMTNTXHPNULH-UHFFFAOYSA-N 0 1 363.433 3.790 40 0 FHABMN O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2cccc(O)c2)cs1 ZINC000006681684 570681676 /nfs/dbraw/zinc/68/16/76/570681676.db2.gz MVXCVBDRVVSMSH-UHFFFAOYSA-N 0 1 374.443 3.507 40 0 FHABMN O=C(Cc1cccs1)N1CCC[C@H]1c1n[nH]c(-c2ccc(F)cc2)n1 ZINC000012115763 570719162 /nfs/dbraw/zinc/71/91/62/570719162.db2.gz TXPNRWUOBZISBH-HNNXBMFYSA-N 0 1 356.426 3.579 40 0 FHABMN O=C(Cc1cccs1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)n[nH]1 ZINC000012115763 570719163 /nfs/dbraw/zinc/71/91/63/570719163.db2.gz TXPNRWUOBZISBH-HNNXBMFYSA-N 0 1 356.426 3.579 40 0 FHABMN COc1ccc2c(c1)C=C(CN1CCC(O)(c3ccccc3F)CC1)CO2 ZINC000012240449 570730382 /nfs/dbraw/zinc/73/03/82/570730382.db2.gz SQWGEEMHCXMGTD-UHFFFAOYSA-N 0 1 369.436 3.594 40 0 FHABMN CCc1c(C)nc2cc([C@@H]3CC[N@@H+](Cc4cccc(F)c4F)C3)[n-]n2c1=O ZINC000012276401 570731894 /nfs/dbraw/zinc/73/18/94/570731894.db2.gz QSPLKDWQCDKDQO-CYBMUJFWSA-N 0 1 372.419 3.573 40 0 FHABMN Cc1cnc(-c2nc(C3CCN(Cc4ccc(Cl)cc4)CC3)no2)cn1 ZINC000012337363 570737865 /nfs/dbraw/zinc/73/78/65/570737865.db2.gz ZPNWWOVUQRIFPV-UHFFFAOYSA-N 0 1 369.856 3.868 40 0 FHABMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(C)cc3C)n2)cc1 ZINC000006203565 570779741 /nfs/dbraw/zinc/77/97/41/570779741.db2.gz XEIJXJVBMXGIHB-UHFFFAOYSA-N 0 1 368.462 3.828 40 0 FHABMN CN1CCN(c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)CC1 ZINC000023134260 570957013 /nfs/dbraw/zinc/95/70/13/570957013.db2.gz VWOCAKNKRHWCRV-IZZDOVSWSA-N 0 1 355.869 3.744 40 0 FHABMN CCOC(=O)C1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1ccccc1)CCCC3 ZINC000035079571 571075508 /nfs/dbraw/zinc/07/55/08/571075508.db2.gz POYFPBLOVRVCKS-GOSISDBHSA-N 0 1 363.461 3.937 40 0 FHABMN CCN(C(=O)CSc1nc(Cc2ccccc2)n[nH]1)c1ccccc1 ZINC000193411153 571161156 /nfs/dbraw/zinc/16/11/56/571161156.db2.gz OITKJHVPWDJTDS-UHFFFAOYSA-N 0 1 352.463 3.541 40 0 FHABMN CN(C)CC(=O)N1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 ZINC000072358172 571183332 /nfs/dbraw/zinc/18/33/32/571183332.db2.gz SOZGZTHCARPPQY-LJQANCHMSA-N 0 1 357.885 3.551 40 0 FHABMN Fc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccnc([N-]c3ncccn3)n2)cc1 ZINC000072377415 571186048 /nfs/dbraw/zinc/18/60/48/571186048.db2.gz NUQWPEMUPJMIGT-GOSISDBHSA-N 0 1 364.428 3.877 40 0 FHABMN Fc1ccc(C[N@H+]2CCCC[C@@H]2c2ccnc([N-]c3ncccn3)n2)cc1 ZINC000072377415 571186049 /nfs/dbraw/zinc/18/60/49/571186049.db2.gz NUQWPEMUPJMIGT-GOSISDBHSA-N 0 1 364.428 3.877 40 0 FHABMN COc1ccc(CN2CCC[C@H]2c2ccnc(Nc3ccccn3)n2)cc1 ZINC000072377431 571186662 /nfs/dbraw/zinc/18/66/62/571186662.db2.gz IMFZNFMWLZHUAH-IBGZPJMESA-N 0 1 361.449 3.961 40 0 FHABMN Cc1ccc(C[NH+]2CCC(c3cc(=O)[n-]c(-c4ccccn4)n3)CC2)o1 ZINC000072392818 571190455 /nfs/dbraw/zinc/19/04/55/571190455.db2.gz FOZKZNUFLYSOBP-UHFFFAOYSA-N 0 1 350.422 3.525 40 0 FHABMN Oc1ccc(C(=S)N2CCN(c3ccccc3F)CC2)cc1Cl ZINC000007091940 571298446 /nfs/dbraw/zinc/29/84/46/571298446.db2.gz CPQGWVHSDLPESI-UHFFFAOYSA-N 0 1 350.846 3.682 40 0 FHABMN O=Cc1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000033546035 571305459 /nfs/dbraw/zinc/30/54/59/571305459.db2.gz AANBXHQWUISUIT-UHFFFAOYSA-N 0 1 360.782 3.997 40 0 FHABMN O=C(CSc1nc(Cc2ccccc2)n[nH]1)Nc1ccc(Cl)cc1 ZINC000071233704 571306703 /nfs/dbraw/zinc/30/67/03/571306703.db2.gz MMTFMFVTWKJYQE-UHFFFAOYSA-N 0 1 358.854 3.780 40 0 FHABMN CCOc1cc(-c2nnc([C@@H](N)c3ccc(Cl)cc3)[nH]2)ccc1OC ZINC000095534057 571331523 /nfs/dbraw/zinc/33/15/23/571331523.db2.gz QOCASWPUAFLPSS-INIZCTEOSA-N 0 1 358.829 3.581 40 0 FHABMN Cc1cccc(Nc2cc([C@H]3CCCN(Cc4ccnn4C)C3)ccn2)n1 ZINC000257212455 223021385 /nfs/dbraw/zinc/02/13/85/223021385.db2.gz CDLPYIQXSMCMLH-SFHVURJKSA-N 0 1 362.481 3.642 40 0 FHABMN Cc1c[nH]nc1[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257250532 223037270 /nfs/dbraw/zinc/03/72/70/223037270.db2.gz JMXIRFYCXLJFJF-CQSZACIVSA-N 0 1 351.406 3.666 40 0 FHABMN Cc1csc(Nc2cc([C@H]3CCCCN3Cc3cnc[nH]3)nc(C)n2)n1 ZINC000257323888 223065439 /nfs/dbraw/zinc/06/54/39/223065439.db2.gz WMGMRRWCUBCOEC-MRXNPFEDSA-N 0 1 369.498 3.744 40 0 FHABMN Cc1cccc(Nc2cc([C@H]3CCCCN3Cc3cnc[nH]3)nc(C)n2)n1 ZINC000257345026 223072972 /nfs/dbraw/zinc/07/29/72/223072972.db2.gz ZZQAVPVCTYNHDQ-GOSISDBHSA-N 0 1 363.469 3.682 40 0 FHABMN O=c1c2c(nc3cc(C4CC4)[n-]n31)CC[N@@H+](Cc1ccccc1Cl)C2 ZINC000012667019 220016927 /nfs/dbraw/zinc/01/69/27/220016927.db2.gz CGXBIKAMLIGPBK-UHFFFAOYSA-N 0 1 354.841 3.524 40 0 FHABMN O=c1c2c(nc3cc(C4CC4)[n-]n31)CC[N@H+](Cc1ccccc1Cl)C2 ZINC000012667019 220016930 /nfs/dbraw/zinc/01/69/30/220016930.db2.gz CGXBIKAMLIGPBK-UHFFFAOYSA-N 0 1 354.841 3.524 40 0 FHABMN OCCN(Cc1ccc(OCc2ccccc2F)cc1)Cc1cccnc1 ZINC000013569642 220074704 /nfs/dbraw/zinc/07/47/04/220074704.db2.gz CPBLXJGVUQBIJH-UHFFFAOYSA-N 0 1 366.436 3.794 40 0 FHABMN COc1cc(CN(Cc2ccccc2)C[C@@H]2CCCO2)cc(OC)c1OC ZINC000013993286 220101727 /nfs/dbraw/zinc/10/17/27/220101727.db2.gz HDJYFTBSBDFGED-IBGZPJMESA-N 0 1 371.477 3.894 40 0 FHABMN CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000019081974 220235830 /nfs/dbraw/zinc/23/58/30/220235830.db2.gz JZQPUGTZEMYQPR-XLIONFOSSA-N 0 1 366.509 3.592 40 0 FHABMN COc1cccc(CN2CCC[C@@H](c3nnsc3-c3cc(C)no3)C2)c1 ZINC000019120780 220238082 /nfs/dbraw/zinc/23/80/82/220238082.db2.gz HYLPOYYZBRRSBR-OAHLLOKOSA-N 0 1 370.478 3.890 40 0 FHABMN CC(C)c1cc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)n[nH]1 ZINC000019451793 220257596 /nfs/dbraw/zinc/25/75/96/220257596.db2.gz MCJIFFRULOIOIR-HNNXBMFYSA-N 0 1 363.465 3.683 40 0 FHABMN C[C@H]1C[C@@H]1C(=O)N1CCC(c2nc3ccccn3c2NC(C)(C)C)CC1 ZINC000019462803 220261541 /nfs/dbraw/zinc/26/15/41/220261541.db2.gz IMPPOBNSPPUYNM-HOCLYGCPSA-N 0 1 354.498 3.907 40 0 FHABMN CCCNC(=O)c1cc([C@H]2CCCN(Cc3ccccc3Cl)C2)no1 ZINC000019503712 220265774 /nfs/dbraw/zinc/26/57/74/220265774.db2.gz 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