smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](C(=O)NC[C@H]1CCCN1C)c1ccsc1 ZINC000160136967 344457935 /nfs/dbraw/zinc/45/79/35/344457935.db2.gz QAMLWDLRSIWDFX-ZYHUDNBSSA-N 0 3 252.383 2.062 20 70 CEIDHN C[C@@H]1C[C@H](C)CN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000160740667 344461062 /nfs/dbraw/zinc/46/10/62/344461062.db2.gz YNKLDDWSVCNKNP-VNHYZAJKSA-N 0 3 279.428 2.158 20 70 CEIDHN CCCC(C)(C)NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160724901 344461355 /nfs/dbraw/zinc/46/13/55/344461355.db2.gz HSPHVWQIXUWMAL-CYBMUJFWSA-N 0 3 267.417 2.349 20 70 CEIDHN C[C@@H](CNC(=O)c1cccc2c1CCCN2)N1CCCC1 ZINC000161217172 344463424 /nfs/dbraw/zinc/46/34/24/344463424.db2.gz QAPSBWBIECGCID-ZDUSSCGKSA-N 0 3 287.407 2.259 20 70 CEIDHN CCOc1ccccc1OCCN1CC[C@H](O)[C@H](C)C1 ZINC000159451009 366915264 /nfs/dbraw/zinc/91/52/64/366915264.db2.gz DNAHFXZEGLXNHB-KGLIPLIRSA-N 0 3 279.380 2.167 20 70 CEIDHN CCN1CCCN(C(=O)NCc2cccc(F)c2)CC1 ZINC000159590191 366929501 /nfs/dbraw/zinc/92/95/01/366929501.db2.gz XTKMAZBILUADHD-UHFFFAOYSA-N 0 3 279.359 2.063 20 70 CEIDHN C[C@@H](N)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159808758 366949044 /nfs/dbraw/zinc/94/90/44/366949044.db2.gz CTAGOSLSSROZLE-MWLCHTKSSA-N 0 3 252.745 2.003 20 70 CEIDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N1CCCCCCC1 ZINC000160073017 366971980 /nfs/dbraw/zinc/97/19/80/366971980.db2.gz MWBRHOBXGRREOY-CPUCHLNUSA-N 0 3 294.439 2.312 20 70 CEIDHN CSc1cc2c(cc1CN[C@@]1(C)CCOC1)OCCO2 ZINC000160184806 366981531 /nfs/dbraw/zinc/98/15/31/366981531.db2.gz PKIVWTLMZUPILE-HNNXBMFYSA-N 0 3 295.404 2.448 20 70 CEIDHN CC[C@@H](c1ccccc1)S(=O)(=O)C(C)C(=O)NC1CC1 ZINC000160604542 367022835 /nfs/dbraw/zinc/02/28/35/367022835.db2.gz ONJRQHOMTYIYEX-RISCZKNCSA-N 0 3 295.404 2.220 20 70 CEIDHN COC(CN1CCN(Cc2ccccc2)C(C)(C)C1)OC ZINC000160932381 367043356 /nfs/dbraw/zinc/04/33/56/367043356.db2.gz XODMYVSBTKPAAV-UHFFFAOYSA-N 0 3 292.423 2.202 20 70 CEIDHN Cn1cc(C[C@@H]2CCN(Cc3cnc4ccccn34)C2)cn1 ZINC000160928196 367044012 /nfs/dbraw/zinc/04/40/12/367044012.db2.gz HAIGFKASNRAFDR-AWEZNQCLSA-N 0 3 295.390 2.132 20 70 CEIDHN C[C@H](N)C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000161134563 367061204 /nfs/dbraw/zinc/06/12/04/367061204.db2.gz UPRYSEDZCCRDLU-NSHDSACASA-N 0 3 262.353 2.432 20 70 CEIDHN CCC[C@H](N)C(=O)NC(C)(C)c1cccc(F)c1 ZINC000161161127 367062776 /nfs/dbraw/zinc/06/27/76/367062776.db2.gz XUWQIBDJHOCSAX-LBPRGKRZSA-N 0 3 252.333 2.304 20 70 CEIDHN CC[C@H](C(=O)NCc1csc(-c2ccco2)n1)N(C)C ZINC000161379479 367082759 /nfs/dbraw/zinc/08/27/59/367082759.db2.gz PNGMMYSWAOFRSH-LLVKDONJSA-N 0 3 293.392 2.360 20 70 CEIDHN CCN(CCNCc1ccc(OC)cc1F)C1CC1 ZINC000218353716 370208675 /nfs/dbraw/zinc/20/86/75/370208675.db2.gz KUJTWHCGPILPFE-UHFFFAOYSA-N 0 3 266.360 2.408 20 70 CEIDHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000161053496 400284208 /nfs/dbraw/zinc/28/42/08/400284208.db2.gz XRNTVCXOWPPKRS-BHDSKKPTSA-N 0 3 282.359 2.385 20 70 CEIDHN CC[C@@H](C(=O)N1CC=C(c2ccc(O)cc2)CC1)N(C)C ZINC000160243463 162326354 /nfs/dbraw/zinc/32/63/54/162326354.db2.gz BJIFJPRLQKFAKG-INIZCTEOSA-N 0 3 288.391 2.348 20 70 CEIDHN CCS[C@H]1CCCCN(C(=O)[C@@H](N)CCSC)C1 ZINC000159767499 276399670 /nfs/dbraw/zinc/39/96/70/276399670.db2.gz BAOGIZUBUVXOOR-RYUDHWBXSA-N 0 3 290.498 2.201 20 70 CEIDHN COc1ccc2c(c1)[C@H](NCC(C)(C)O)CCCO2 ZINC000160593328 295273675 /nfs/dbraw/zinc/27/36/75/295273675.db2.gz HNYYLKXVPRRSSG-CYBMUJFWSA-N 0 3 265.353 2.269 20 70 CEIDHN CN(C)Cc1ccc(C(=O)N(C)Cc2ccncc2)cc1 ZINC000159427138 297428781 /nfs/dbraw/zinc/42/87/81/297428781.db2.gz XXGATJUHNQPEAV-UHFFFAOYSA-N 0 3 283.375 2.415 20 70 CEIDHN CC(C)OCCCN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161263338 297442700 /nfs/dbraw/zinc/44/27/00/297442700.db2.gz URLILEBTOUTYBF-LBPRGKRZSA-N 0 3 283.334 2.437 20 70 CEIDHN COCCN(CC(C)C)C(=O)c1ccc(CN(C)C)cc1 ZINC000159924668 312635775 /nfs/dbraw/zinc/63/57/75/312635775.db2.gz DYVNHTKGNBZGON-UHFFFAOYSA-N 0 3 292.423 2.493 20 70 CEIDHN O=C(NCCNCc1ccc(C2CC2)cc1)C1CC1 ZINC000160693081 526336491 /nfs/dbraw/zinc/33/64/91/526336491.db2.gz PGZLLCUUOGSSJG-UHFFFAOYSA-N 0 3 258.365 2.180 20 70 CEIDHN Cc1nccn1CCCN1C[C@@H](C)OC(C)(C)C1 ZINC000161465339 527416096 /nfs/dbraw/zinc/41/60/96/527416096.db2.gz HSXBNHIECVZGNO-GFCCVEGCSA-N 0 3 251.374 2.081 20 70 CEIDHN CCCC(O)(CCC)CC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000161310973 528006486 /nfs/dbraw/zinc/00/64/86/528006486.db2.gz RQMFHAZCGHEYIW-CYBMUJFWSA-N 0 3 284.444 2.307 20 70 CEIDHN CNC(=O)[C@H](CC(C)C)NCc1cccc2cc[nH]c21 ZINC000218157764 539232353 /nfs/dbraw/zinc/23/23/53/539232353.db2.gz GYUJVQPMOOLPFJ-AWEZNQCLSA-N 0 3 273.380 2.418 20 70 CEIDHN CSCC[C@@H](C)N(C)C(=O)[C@@H]1CNCc2ccccc21 ZINC000161267461 344463870 /nfs/dbraw/zinc/46/38/70/344463870.db2.gz ZDFLCEKNLCQIIH-IUODEOHRSA-N 0 3 292.448 2.473 20 70 CEIDHN CS[C@H](C)CNC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000159751487 366945151 /nfs/dbraw/zinc/94/51/51/366945151.db2.gz SLSKCDKMIFRORQ-JHJVBQTASA-N 0 3 287.473 2.158 20 70 CEIDHN C[C@@H](C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000159392501 366908624 /nfs/dbraw/zinc/90/86/24/366908624.db2.gz YUUJUMPQPDVCNU-ABNPOPBRSA-N 0 3 294.439 2.322 20 70 CEIDHN CCc1ccc([C@H](C)NCCN(C)CCOC)o1 ZINC000159431932 366912315 /nfs/dbraw/zinc/91/23/15/366912315.db2.gz NTFVFTZRNHXVLX-LBPRGKRZSA-N 0 3 254.374 2.071 20 70 CEIDHN NC1(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)CCCCC1 ZINC000159502301 366918910 /nfs/dbraw/zinc/91/89/10/366918910.db2.gz VUCIUWCRBZDJLW-UHFFFAOYSA-N 0 3 285.351 2.072 20 70 CEIDHN CCN1CCC[C@@H]1CNC(=O)c1cccc(C)c1F ZINC000159572306 366926922 /nfs/dbraw/zinc/92/69/22/366926922.db2.gz PBUKAJNFRBBDOJ-GFCCVEGCSA-N 0 3 264.344 2.348 20 70 CEIDHN CCN1CCC[C@@H]1CNC(=O)C1(CCOC)CCCC1 ZINC000159570252 366927238 /nfs/dbraw/zinc/92/72/38/366927238.db2.gz YYQHLXQKHYOQJY-CQSZACIVSA-N 0 3 282.428 2.184 20 70 CEIDHN CC[C@@H](C(=O)NC[C@@H]1CCN(C)c2ccccc21)N(C)C ZINC000159667401 366937355 /nfs/dbraw/zinc/93/73/55/366937355.db2.gz BETQVTNZYGAHHV-ZFWWWQNUSA-N 0 3 289.423 2.067 20 70 CEIDHN CCN1CCCN(C(=O)N[C@@H](C)c2cccc(O)c2)CC1 ZINC000159854055 366953409 /nfs/dbraw/zinc/95/34/09/366953409.db2.gz SEENUEBYFSXXLW-ZDUSSCGKSA-N 0 3 291.395 2.190 20 70 CEIDHN CCCN1CCCN(C(=O)NC2CCCC2)CC1 ZINC000160013495 366965332 /nfs/dbraw/zinc/96/53/32/366965332.db2.gz AUPHHCSZKGMMRX-UHFFFAOYSA-N 0 3 253.390 2.056 20 70 CEIDHN Cc1ncc(CNC(=O)c2ccc(CN(C)C)cc2)s1 ZINC000161042634 367051599 /nfs/dbraw/zinc/05/15/99/367051599.db2.gz LIPJLRLYHYMEEJ-UHFFFAOYSA-N 0 3 289.404 2.443 20 70 CEIDHN CCCCn1ncc(C(=O)NC[C@@H]2CCCN2CC)c1C ZINC000161083980 367055198 /nfs/dbraw/zinc/05/51/98/367055198.db2.gz OHVFBGSUBJMVPL-AWEZNQCLSA-N 0 3 292.427 2.206 20 70 CEIDHN CSCC[C@@H](N)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000161171108 367063484 /nfs/dbraw/zinc/06/34/84/367063484.db2.gz JJGBTMVWXALITD-GXTWGEPZSA-N 0 3 280.437 2.295 20 70 CEIDHN CCC(CC)c1cc(C(=O)NC[C@H]2CCN(C)C2)on1 ZINC000161303854 367076194 /nfs/dbraw/zinc/07/61/94/367076194.db2.gz DKSPHNYDIWPJSF-LLVKDONJSA-N 0 3 279.384 2.260 20 70 CEIDHN Cc1ccc([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)o1 ZINC000160549049 395061093 /nfs/dbraw/zinc/06/10/93/395061093.db2.gz DQIYMHDLHYKGRK-CMPLNLGQSA-N 0 3 260.341 2.154 20 70 CEIDHN CC[C@H]1CCC[C@@H]1NC(=O)N1CCCN(CC)CC1 ZINC000159973448 162319103 /nfs/dbraw/zinc/31/91/03/162319103.db2.gz LUHKOAYYUMUAOH-KBPBESRZSA-N 0 3 267.417 2.302 20 70 CEIDHN CCN1CCCC[C@H]1CNC(=O)N(C)Cc1cccn1C ZINC000160103833 162324208 /nfs/dbraw/zinc/32/42/08/162324208.db2.gz QHMWLMIYJJPKFU-AWEZNQCLSA-N 0 3 292.427 2.041 20 70 CEIDHN C[C@H](N[C@H]1CCO[C@@]2(CCOC2)C1)c1ccccn1 ZINC000160851377 162327820 /nfs/dbraw/zinc/32/78/20/162327820.db2.gz TVASAEHDZQXSRR-YDHLFZDLSA-N 0 3 262.353 2.070 20 70 CEIDHN CC1CCN(C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000160558515 278534282 /nfs/dbraw/zinc/53/42/82/278534282.db2.gz SORVWTGIDMATEC-HNNXBMFYSA-N 0 3 279.428 2.399 20 70 CEIDHN CCN(CC)C(=O)Nc1ccc([C@@H](C)NCCO)cc1 ZINC000159674210 312633117 /nfs/dbraw/zinc/63/31/17/312633117.db2.gz GFUGLIYDXVKRGX-GFCCVEGCSA-N 0 3 279.384 2.203 20 70 CEIDHN CC[C@H](N)C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000161314425 522324387 /nfs/dbraw/zinc/32/43/87/522324387.db2.gz MSCZIHFLGQNPCQ-KYOSRNDESA-N 0 3 276.380 2.137 20 70 CEIDHN Cc1cccc(NC[C@@H]2CCN(Cc3cnn(C)c3)C2)n1 ZINC000160914864 524681085 /nfs/dbraw/zinc/68/10/85/524681085.db2.gz GQLUAPDCEWGXDY-AWEZNQCLSA-N 0 3 285.395 2.058 20 70 CEIDHN CC(C)OC[C@@H](O)CN(CCc1nccs1)C(C)C ZINC000159874496 528011353 /nfs/dbraw/zinc/01/13/53/528011353.db2.gz GSGKBNJCBYGFNH-ZDUSSCGKSA-N 0 3 286.441 2.182 20 70 CEIDHN CC(C)N(C)CC(=O)NCCc1cc2ccccc2[nH]1 ZINC000159519797 528811434 /nfs/dbraw/zinc/81/14/34/528811434.db2.gz HMYTZWFEMXGHDT-UHFFFAOYSA-N 0 3 273.380 2.167 20 70 CEIDHN CCCC(C)(C)NC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160725041 344461134 /nfs/dbraw/zinc/46/11/34/344461134.db2.gz HSPHVWQIXUWMAL-ZDUSSCGKSA-N 0 3 267.417 2.349 20 70 CEIDHN CSCC[C@@H](N)C(=O)NCCc1c(C)cccc1C ZINC000160213685 188460194 /nfs/dbraw/zinc/46/01/94/188460194.db2.gz NFPFDDFWMKMYKL-CQSZACIVSA-N 0 3 280.437 2.043 20 70 CEIDHN CSCC[C@H](N)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000161260701 188517874 /nfs/dbraw/zinc/51/78/74/188517874.db2.gz VTSPFQWFTRTVSV-LSDHHAIUSA-N 0 3 292.448 2.204 20 70 CEIDHN CCCCOCCCNC(=O)Nc1cccc(CN)c1 ZINC000160408753 540116151 /nfs/dbraw/zinc/11/61/51/540116151.db2.gz WCGVCDTWBSHMJR-UHFFFAOYSA-N 0 3 279.384 2.474 20 70 CEIDHN CCOc1cccc(CN2CCCC[C@@H]2CCO)n1 ZINC000159725952 366943353 /nfs/dbraw/zinc/94/33/53/366943353.db2.gz BWTIKYKIICYWBY-CQSZACIVSA-N 0 3 264.369 2.217 20 70 CEIDHN OC[C@H](Cc1ccccc1)NCc1cccc2c1NCC2 ZINC000159414659 366909884 /nfs/dbraw/zinc/90/98/84/366909884.db2.gz CKTRANYREBPKJI-KRWDZBQOSA-N 0 3 282.387 2.348 20 70 CEIDHN CCN(CCN[C@H](C)c1cnn(C)c1)C(=O)OC(C)(C)C ZINC000159461861 366916354 /nfs/dbraw/zinc/91/63/54/366916354.db2.gz NFJDGTUXZIIELT-GFCCVEGCSA-N 0 3 296.415 2.328 20 70 CEIDHN CC(C)N(C(=O)[C@@H](C)N(C)C[C@@H]1CCC[C@@H]1O)C(C)C ZINC000159487989 366918407 /nfs/dbraw/zinc/91/84/07/366918407.db2.gz JBJGGYFKJFIWOK-ILXRZTDVSA-N 0 3 284.444 2.113 20 70 CEIDHN FC(F)n1ccnc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159576529 366928381 /nfs/dbraw/zinc/92/83/81/366928381.db2.gz SJFSGENHYPNUQE-WCQGTBRESA-N 0 3 283.322 2.325 20 70 CEIDHN CCC[C@H](N)C(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000159592269 366930056 /nfs/dbraw/zinc/93/00/56/366930056.db2.gz XOSIMPIGZODFMZ-OCCSQVGLSA-N 0 3 286.379 2.177 20 70 CEIDHN CC(C)c1ccccc1OCCNC(=O)[C@@H](N)C(C)C ZINC000159840723 366952661 /nfs/dbraw/zinc/95/26/61/366952661.db2.gz OPAGMGCXFTVYKP-HNNXBMFYSA-N 0 3 278.396 2.288 20 70 CEIDHN Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC1CCN(C)CC1 ZINC000159854872 366953246 /nfs/dbraw/zinc/95/32/46/366953246.db2.gz PIHXKICUNNEOEX-CHWSQXEVSA-N 0 3 278.421 2.370 20 70 CEIDHN CCn1nccc1CNC[C@@H](O)c1ccc(C)cc1 ZINC000160104105 366973179 /nfs/dbraw/zinc/97/31/79/366973179.db2.gz YJNGUVDZAWIMTI-OAHLLOKOSA-N 0 3 259.353 2.035 20 70 CEIDHN O=C(NCc1ccccc1OCC1CC1)[C@@H]1CCCCN1 ZINC000160099131 366973540 /nfs/dbraw/zinc/97/35/40/366973540.db2.gz CCXZJXQNTPIZHX-HNNXBMFYSA-N 0 3 288.391 2.234 20 70 CEIDHN CCCCCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160191364 366980732 /nfs/dbraw/zinc/98/07/32/366980732.db2.gz QZWVCXDLZVWGFQ-DVOMOZLQSA-N 0 3 282.428 2.215 20 70 CEIDHN COc1ccccc1[C@@H](C)N[C@H]1CCc2nc(C)nn2C1 ZINC000160413446 367003919 /nfs/dbraw/zinc/00/39/19/367003919.db2.gz XVVOWBZFHNQOAK-YPMHNXCESA-N 0 3 286.379 2.261 20 70 CEIDHN CCCNC(=O)C(C)S(=O)(=O)[C@@H](CC)c1ccccc1 ZINC000160488031 367010224 /nfs/dbraw/zinc/01/02/24/367010224.db2.gz IWEITAZFJQXUNF-JSGCOSHPSA-N 0 3 297.420 2.467 20 70 CEIDHN C[C@@H]1CCCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000160513337 367012495 /nfs/dbraw/zinc/01/24/95/367012495.db2.gz YRYOYGUJEFXREB-VWPFQQQWSA-N 0 3 294.439 2.168 20 70 CEIDHN CN(CC1CCN(C)CC1)C(=O)N1CCCCCC1 ZINC000160562560 367017244 /nfs/dbraw/zinc/01/72/44/367017244.db2.gz QAWAGJMHLSWMFV-UHFFFAOYSA-N 0 3 267.417 2.256 20 70 CEIDHN C[C@@H](NCc1ccc(CN(C)C)cc1)c1cnccn1 ZINC000160868715 367040200 /nfs/dbraw/zinc/04/02/00/367040200.db2.gz WZUFYWHJMRXZSL-CYBMUJFWSA-N 0 3 270.380 2.389 20 70 CEIDHN COC(=O)c1cc(CN(C)[C@@H]2CCCC[C@@H]2O)oc1C ZINC000161080379 367055709 /nfs/dbraw/zinc/05/57/09/367055709.db2.gz MEAOFKCAIOFQGT-KGLIPLIRSA-N 0 3 281.352 2.110 20 70 CEIDHN CC[C@@H](C(=O)N[C@@H](C)COc1cccc(C)c1)N(C)C ZINC000161109062 367057883 /nfs/dbraw/zinc/05/78/83/367057883.db2.gz WZVIXNMYFSUPDW-ZFWWWQNUSA-N 0 3 278.396 2.219 20 70 CEIDHN Cc1cc(NC(=O)[C@H](C)N)ccc1OCC(F)(F)F ZINC000161117698 367059454 /nfs/dbraw/zinc/05/94/54/367059454.db2.gz HVGKZBVLSGTHSC-QMMMGPOBSA-N 0 3 276.258 2.222 20 70 CEIDHN CCC[C@@H](N)C(=O)NC(C)(C)c1cccc(F)c1 ZINC000161161237 367064348 /nfs/dbraw/zinc/06/43/48/367064348.db2.gz XUWQIBDJHOCSAX-GFCCVEGCSA-N 0 3 252.333 2.304 20 70 CEIDHN C[C@H]1C[C@@H](Nc2nnc(C(F)(F)F)s2)CCN1C ZINC000160177241 395059950 /nfs/dbraw/zinc/05/99/50/395059950.db2.gz ZJURGEJTBHDMIL-BQBZGAKWSA-N 0 3 280.319 2.452 20 70 CEIDHN C[C@H](N)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000160080589 395060032 /nfs/dbraw/zinc/06/00/32/395060032.db2.gz HCPSNUPVMPMCLJ-WKEGUHRASA-N 0 3 273.163 2.444 20 70 CEIDHN Cc1ccc([C@H](C)N[C@H]2CCc3nc(C)nn3C2)o1 ZINC000160549317 395060676 /nfs/dbraw/zinc/06/06/76/395060676.db2.gz DQIYMHDLHYKGRK-JQWIXIFHSA-N 0 3 260.341 2.154 20 70 CEIDHN COc1ccc([C@H]2CCN(CC(OC)OC)C2)cc1 ZINC000160775760 395062139 /nfs/dbraw/zinc/06/21/39/395062139.db2.gz XVLAANTWEZXZEC-ZDUSSCGKSA-N 0 3 265.353 2.103 20 70 CEIDHN CC[C@H](N)C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000161314193 395063338 /nfs/dbraw/zinc/06/33/38/395063338.db2.gz MSCZIHFLGQNPCQ-LNSITVRQSA-N 0 3 276.380 2.137 20 70 CEIDHN CC[C@@H](C)[C@@H](C)NC(=O)N1CCCN(CC)CC1 ZINC000159750107 162313476 /nfs/dbraw/zinc/31/34/76/162313476.db2.gz PEEGACFSQGXKQT-CHWSQXEVSA-N 0 3 255.406 2.158 20 70 CEIDHN COc1cc(CNCC2(CO)CCCC2)cc2c1OCO2 ZINC000159910081 162320013 /nfs/dbraw/zinc/32/00/13/162320013.db2.gz DIMWGPCIOGQURF-UHFFFAOYSA-N 0 3 293.363 2.066 20 70 CEIDHN C[C@H](N[C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccncc1 ZINC000160987045 297440110 /nfs/dbraw/zinc/44/01/10/297440110.db2.gz XRGCLWWDSXMYMP-FPMFFAJLSA-N 0 3 282.409 2.088 20 70 CEIDHN CN(C)Cc1ccc(C(=O)N(C)C[C@@H]2CCCCO2)cc1 ZINC000160833880 312641764 /nfs/dbraw/zinc/64/17/64/312641764.db2.gz SFVRWRICIZQYDZ-INIZCTEOSA-N 0 3 290.407 2.389 20 70 CEIDHN CCCN1CCCN(C(=O)c2ccnc(SC)c2)CC1 ZINC000160370010 519851032 /nfs/dbraw/zinc/85/10/32/519851032.db2.gz XQCRROXGJIIGST-UHFFFAOYSA-N 0 3 293.436 2.361 20 70 CEIDHN C[C@H](NC[C@@H]1CC(=O)Nc2ccccc21)c1cnn(C)c1 ZINC000160616308 525384374 /nfs/dbraw/zinc/38/43/74/525384374.db2.gz WTIIBCWKXJNAMM-RYUDHWBXSA-N 0 3 284.363 2.197 20 70 CEIDHN C[C@@H](N[C@@H](C)c1ccccc1-n1cccn1)C(=O)NC1CC1 ZINC000160822228 525614609 /nfs/dbraw/zinc/61/46/09/525614609.db2.gz GXIIWIXVJSQKBG-QWHCGFSZSA-N 0 3 298.390 2.190 20 70 CEIDHN CN(C(=O)N[C@@H]1CCN(CC2CC2)C1)C1CCCCC1 ZINC000160769410 344461070 /nfs/dbraw/zinc/46/10/70/344461070.db2.gz KRJAMSAVGPYEHI-CQSZACIVSA-N 0 3 279.428 2.445 20 70 CEIDHN c1cc2c(c(CN[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)c1)OCO2 ZINC000159643274 188435715 /nfs/dbraw/zinc/43/57/15/188435715.db2.gz TZSZNEZAURQFCV-WQVCFCJDSA-N 0 3 287.359 2.463 20 70 CEIDHN O[C@H](CNCCc1cccc2cccnc21)C(F)(F)F ZINC000159379308 366908068 /nfs/dbraw/zinc/90/80/68/366908068.db2.gz PCBRKPQOTYNFDS-GFCCVEGCSA-N 0 3 284.281 2.290 20 70 CEIDHN C[C@@H](C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)N1[C@@H](C)CC[C@@H]1C ZINC000159392636 366909237 /nfs/dbraw/zinc/90/92/37/366909237.db2.gz YUUJUMPQPDVCNU-RDUHTLEXSA-N 0 3 294.439 2.322 20 70 CEIDHN CCN(CCOC[C@@H]1CCCO1)CCc1nccs1 ZINC000159426898 366911838 /nfs/dbraw/zinc/91/18/38/366911838.db2.gz DCPZQPBBTADQSS-ZDUSSCGKSA-N 0 3 284.425 2.203 20 70 CEIDHN Cc1ncc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)s1 ZINC000159465162 366916706 /nfs/dbraw/zinc/91/67/06/366916706.db2.gz TXOKSCYRSKDGPH-AVGNSLFASA-N 0 3 264.394 2.499 20 70 CEIDHN C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159600158 366930978 /nfs/dbraw/zinc/93/09/78/366930978.db2.gz CXKQUMXPDOPBPS-LEOABGAYSA-N 0 3 296.455 2.257 20 70 CEIDHN c1cn(CCN2CCC[C@H]2c2cccc3c2OCCO3)cn1 ZINC000159801655 366949791 /nfs/dbraw/zinc/94/97/91/366949791.db2.gz YNPBDAUIOFNHDS-HNNXBMFYSA-N 0 3 299.374 2.491 20 70 CEIDHN CN(C)CCN(C)c1ncc(Cl)cc1Br ZINC000159809180 366950139 /nfs/dbraw/zinc/95/01/39/366950139.db2.gz ZUHOZAKTPGWMRN-UHFFFAOYSA-N 0 3 292.608 2.495 20 70 CEIDHN Cc1ccc2c(c1)[C@H](NCC(=O)NCC(F)(F)F)CC2 ZINC000160593790 367020370 /nfs/dbraw/zinc/02/03/70/367020370.db2.gz MYUSHOHJSBGTEO-GFCCVEGCSA-N 0 3 286.297 2.250 20 70 CEIDHN CC(C)(O)CN[C@@H]1CSCCc2ccccc21 ZINC000160640929 367024396 /nfs/dbraw/zinc/02/43/96/367024396.db2.gz LYPFNEPMPMLBKZ-CYBMUJFWSA-N 0 3 251.395 2.378 20 70 CEIDHN CN(C)C[C@@H]1CCCN1C(=O)NC1CCCCC1 ZINC000160528042 367013592 /nfs/dbraw/zinc/01/35/92/367013592.db2.gz PVSAVDGHHQEJKL-ZDUSSCGKSA-N 0 3 253.390 2.055 20 70 CEIDHN C[C@H](N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccccn1 ZINC000160850094 367038836 /nfs/dbraw/zinc/03/88/36/367038836.db2.gz YOXHFVDOIXODLY-YNEHKIRRSA-N 0 3 282.409 2.088 20 70 CEIDHN COC(=O)c1cc(CN(C)[C@H]2CCCC[C@@H]2O)oc1C ZINC000161080517 367055113 /nfs/dbraw/zinc/05/51/13/367055113.db2.gz MEAOFKCAIOFQGT-KBPBESRZSA-N 0 3 281.352 2.110 20 70 CEIDHN C[C@H](O)C(C)(C)NCc1cccc2c1OCCCO2 ZINC000161124962 367059616 /nfs/dbraw/zinc/05/96/16/367059616.db2.gz CKQNMLWWOKXONT-NSHDSACASA-N 0 3 265.353 2.097 20 70 CEIDHN CCN(CC)CC(=O)NCCc1csc(C(C)(C)C)n1 ZINC000160684357 367026684 /nfs/dbraw/zinc/02/66/84/367026684.db2.gz PJUVBYQKQHGEJH-UHFFFAOYSA-N 0 3 297.468 2.441 20 70 CEIDHN CCn1cc([C@H](C)NC[C@@H](CO)c2ccccc2)cn1 ZINC000161508455 367092075 /nfs/dbraw/zinc/09/20/75/367092075.db2.gz VPRMRBKLTAGDOU-BBRMVZONSA-N 0 3 273.380 2.330 20 70 CEIDHN COc1ccc(CNC[C@@H](C)N(C)C2CC2)c(F)c1 ZINC000218606553 370211522 /nfs/dbraw/zinc/21/15/22/370211522.db2.gz GWEWCMVJQXPNFH-LLVKDONJSA-N 0 3 266.360 2.407 20 70 CEIDHN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160022659 296338164 /nfs/dbraw/zinc/33/81/64/296338164.db2.gz AOIRBLZQBRUXKX-NLIDSEJHSA-N 0 3 294.439 2.214 20 70 CEIDHN CC(C)[C@@H](NCCC(C)(C)O)c1nnc2ccccn21 ZINC000159608233 395058717 /nfs/dbraw/zinc/05/87/17/395058717.db2.gz RZZFCCAPYKPUNW-CYBMUJFWSA-N 0 3 276.384 2.177 20 70 CEIDHN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)C1(N)CC1 ZINC000161199522 395063405 /nfs/dbraw/zinc/06/34/05/395063405.db2.gz RFJLNOWSJJFIME-UHFFFAOYSA-N 0 3 298.390 2.103 20 70 CEIDHN CNC(=O)CNCC(c1ccccc1)c1ccccc1 ZINC000218603565 153303852 /nfs/dbraw/zinc/30/38/52/153303852.db2.gz NFZGUFSIZRXSMW-UHFFFAOYSA-N 0 3 268.360 2.154 20 70 CEIDHN COCCN(C)CCCNC(=O)[C@H](C)c1cccc(C)c1 ZINC000159800445 162317168 /nfs/dbraw/zinc/31/71/68/162317168.db2.gz DYVIBEXGKSWGPH-OAHLLOKOSA-N 0 3 292.423 2.183 20 70 CEIDHN COC(=O)CCCN1CCC[C@H]1c1cccc(C)n1 ZINC000160060748 162323711 /nfs/dbraw/zinc/32/37/11/162323711.db2.gz YVBHWLWHXUZXEL-AWEZNQCLSA-N 0 3 262.353 2.480 20 70 CEIDHN CC(=O)Nc1ccccc1CNCC1(CO)CCCC1 ZINC000160123533 162324278 /nfs/dbraw/zinc/32/42/78/162324278.db2.gz HJJKPWYOZAHRNB-UHFFFAOYSA-N 0 3 276.380 2.287 20 70 CEIDHN CN(Cc1cnc2ccccn12)C[C@H]1CCCOC1 ZINC000160246793 162326401 /nfs/dbraw/zinc/32/64/01/162326401.db2.gz FVMLEGLBAICKEY-CYBMUJFWSA-N 0 3 259.353 2.193 20 70 CEIDHN CCn1nccc1CN1CCNCc2ccccc21 ZINC000160227374 288763399 /nfs/dbraw/zinc/76/33/99/288763399.db2.gz IWFAFCHCPQJWFT-UHFFFAOYSA-N 0 3 256.353 2.013 20 70 CEIDHN CCC1(CC)[C@H](N[C@@H]2CCN(C(C)C)C2=O)C[C@@H]1OC ZINC000160102606 297432989 /nfs/dbraw/zinc/43/29/89/297432989.db2.gz ISMACLKWPBSAHA-MCIONIFRSA-N 0 3 282.428 2.179 20 70 CEIDHN CC[C@H](N)C(=O)N[C@@H](COc1ccccc1F)C(C)(C)C ZINC000159773657 312634313 /nfs/dbraw/zinc/63/43/13/312634313.db2.gz YQGOIUYSFUIEDR-JSGCOSHPSA-N 0 3 296.386 2.473 20 70 CEIDHN CCCN1CCCN(C(=O)c2ccc(OC)c(F)c2)CC1 ZINC000160386004 519850859 /nfs/dbraw/zinc/85/08/59/519850859.db2.gz GDYVFCSGVYJPSW-UHFFFAOYSA-N 0 3 294.370 2.392 20 70 CEIDHN COc1cc(OC)cc([C@H]2CCN(CC(OC)OC)C2)c1 ZINC000161478822 522887181 /nfs/dbraw/zinc/88/71/81/522887181.db2.gz NNCSBBWBGCWXEL-LBPRGKRZSA-N 0 3 295.379 2.112 20 70 CEIDHN Cc1nc2ccccn2c1CN(C)C[C@@H]1CCOC1 ZINC000160966024 527175598 /nfs/dbraw/zinc/17/55/98/527175598.db2.gz XBLPVRPAGZQIEN-ZDUSSCGKSA-N 0 3 259.353 2.111 20 70 CEIDHN Cc1nc2n(n1)C[C@@H](N[C@H]1CCc3ccccc31)CC2 ZINC000160372180 282119393 /nfs/dbraw/zinc/11/93/93/282119393.db2.gz FQJLVCZGIJWIOG-ZFWWWQNUSA-N 0 3 268.364 2.178 20 70 CEIDHN FC(F)(F)c1nnc(NC[C@@H]2CCN(C3CC3)C2)s1 ZINC000160156780 344457581 /nfs/dbraw/zinc/45/75/81/344457581.db2.gz IKOIUAKHJOBJKW-ZETCQYMHSA-N 0 3 292.330 2.453 20 70 CEIDHN CC[C@H]1CCCCN1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160740286 344461405 /nfs/dbraw/zinc/46/14/05/344461405.db2.gz LWUSZKJNYHJXFO-CABCVRRESA-N 0 3 279.428 2.445 20 70 CEIDHN CSC[C@@H](CCO)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000160283664 232250785 /nfs/dbraw/zinc/25/07/85/232250785.db2.gz SLVCDLNSZPPDTM-DGCLKSJQSA-N 0 3 297.420 2.222 20 70 CEIDHN CCc1cccc(CC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000159458201 540407772 /nfs/dbraw/zinc/40/77/72/540407772.db2.gz BCUVHWNJDGAJBI-SJORKVTESA-N 0 3 286.419 2.487 20 70 CEIDHN COc1ccc(CNCC2(CO)CCCCC2)cn1 ZINC000161350054 540791905 /nfs/dbraw/zinc/79/19/05/540791905.db2.gz LTOVGMLQILULKD-UHFFFAOYSA-N 0 3 264.369 2.123 20 70 CEIDHN COc1cccc(CCCN2CCN(C3CC3)CC2)c1 ZINC000159716982 366941641 /nfs/dbraw/zinc/94/16/41/366941641.db2.gz WTURLYCMJPKRCQ-UHFFFAOYSA-N 0 3 274.408 2.408 20 70 CEIDHN CN(C)c1ccccc1CN(C)C[C@H]1CCC[C@@H]1O ZINC000159744430 366944304 /nfs/dbraw/zinc/94/43/04/366944304.db2.gz YQRFJBBAWXQLIK-ZBFHGGJFSA-N 0 3 262.397 2.345 20 70 CEIDHN CC(C)C[C@@H](CN(C)C)NC(=O)N(C)CC1CCOCC1 ZINC000159735839 366945112 /nfs/dbraw/zinc/94/51/12/366945112.db2.gz AIAWKLBHOLYNEI-HNNXBMFYSA-N 0 3 299.459 2.031 20 70 CEIDHN COc1ccc([C@H](C)NCCCN2CCCC2=O)c(F)c1 ZINC000159478448 366917802 /nfs/dbraw/zinc/91/78/02/366917802.db2.gz STDWZDMGLCKYNC-LBPRGKRZSA-N 0 3 294.370 2.497 20 70 CEIDHN CCN1CCC(NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)CC1 ZINC000159485808 366918577 /nfs/dbraw/zinc/91/85/77/366918577.db2.gz KXYQPTAIQGXXPC-LLVKDONJSA-N 0 3 292.427 2.121 20 70 CEIDHN COc1ccc(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1O ZINC000159515094 366921418 /nfs/dbraw/zinc/92/14/18/366921418.db2.gz WHJVGXYNEIEXAL-KCXAZCMYSA-N 0 3 289.375 2.448 20 70 CEIDHN COc1ccccc1/C=C/CN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159604688 366931212 /nfs/dbraw/zinc/93/12/12/366931212.db2.gz GJFXUDWGRDZNSS-HSRYQADGSA-N 0 3 288.391 2.294 20 70 CEIDHN c1cc2c(c(CN[C@H]3[C@H]4CCO[C@@H]4C34CCC4)c1)OCO2 ZINC000159643398 366935366 /nfs/dbraw/zinc/93/53/66/366935366.db2.gz TZSZNEZAURQFCV-KCXAZCMYSA-N 0 3 287.359 2.463 20 70 CEIDHN CCNC(=O)N1CC[C@H](N[C@H](C)c2ccccc2C)C1 ZINC000159813739 366950775 /nfs/dbraw/zinc/95/07/75/366950775.db2.gz LXFMGKZNQKWMJT-KGLIPLIRSA-N 0 3 275.396 2.449 20 70 CEIDHN CCC[C@@H](CC)NC(=O)N1CCCN(CC)CC1 ZINC000159777027 366947932 /nfs/dbraw/zinc/94/79/32/366947932.db2.gz HUOGIMWHWAPOJG-CYBMUJFWSA-N 0 3 255.406 2.302 20 70 CEIDHN COC(=O)c1ccc(CN(C)C[C@@H]2CCC[C@@H]2O)s1 ZINC000159859443 366955238 /nfs/dbraw/zinc/95/52/38/366955238.db2.gz ONWZSCDCZYTFLU-JQWIXIFHSA-N 0 3 283.393 2.128 20 70 CEIDHN C[C@H](N)C(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000159974198 366962183 /nfs/dbraw/zinc/96/21/83/366962183.db2.gz ZYGIELGLTUQUIM-LURJTMIESA-N 0 3 280.221 2.053 20 70 CEIDHN C[C@@H]1CC(=O)CC[C@H]1C(=O)N[C@@H](CCN(C)C)C(C)(C)C ZINC000160333638 366996761 /nfs/dbraw/zinc/99/67/61/366996761.db2.gz FMQDCFIBNLWYDF-YUELXQCFSA-N 0 3 296.455 2.474 20 70 CEIDHN CSc1cc2c(cc1CN[C@]1(C)CCOC1)OCCO2 ZINC000160184925 366980762 /nfs/dbraw/zinc/98/07/62/366980762.db2.gz PKIVWTLMZUPILE-OAHLLOKOSA-N 0 3 295.404 2.448 20 70 CEIDHN CC[C@](C)(CO)NCc1cncc(Br)c1 ZINC000160581036 367019557 /nfs/dbraw/zinc/01/95/57/367019557.db2.gz JICACVJCBJPMEQ-LLVKDONJSA-N 0 3 273.174 2.095 20 70 CEIDHN O=C(N1CC[C@H](N2CCCC2)C1)N1CCCCCC1 ZINC000160556722 367016434 /nfs/dbraw/zinc/01/64/34/367016434.db2.gz BITBXXWBRJNJRX-AWEZNQCLSA-N 0 3 265.401 2.153 20 70 CEIDHN CCC(CC)c1cc(CNC(=O)[C@@H]2CCCCN2)on1 ZINC000161110580 367057436 /nfs/dbraw/zinc/05/74/36/367057436.db2.gz JJUPCRBNFWTQJJ-ZDUSSCGKSA-N 0 3 279.384 2.337 20 70 CEIDHN Cc1cc(C(=O)NCCCN(C)Cc2ccccc2)ncn1 ZINC000161308333 367077052 /nfs/dbraw/zinc/07/70/52/367077052.db2.gz DBFHXMXRRSDICM-UHFFFAOYSA-N 0 3 298.390 2.037 20 70 CEIDHN COCCN(C)CCN[C@@H](C)c1ccc(F)cc1N(C)C ZINC000159401152 395058708 /nfs/dbraw/zinc/05/87/08/395058708.db2.gz FYKXYVSGTIMUFD-ZDUSSCGKSA-N 0 3 297.418 2.121 20 70 CEIDHN CC(C)(O)CN[C@H]1CSCCc2ccccc21 ZINC000160641067 395062201 /nfs/dbraw/zinc/06/22/01/395062201.db2.gz LYPFNEPMPMLBKZ-ZDUSSCGKSA-N 0 3 251.395 2.378 20 70 CEIDHN C[C@H](CN1CCOCC1)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000218010784 153295572 /nfs/dbraw/zinc/29/55/72/153295572.db2.gz NXJSXNKVJKGYKV-GZBFAFLISA-N 0 3 278.396 2.213 20 70 CEIDHN COc1cc(CN2C[C@@H]3CCCCN3C[C@@H]2C)ccc1O ZINC000217909053 153298977 /nfs/dbraw/zinc/29/89/77/153298977.db2.gz SHPTURMHGWGCEC-ZFWWWQNUSA-N 0 3 290.407 2.459 20 70 CEIDHN CC[C@H](C)[C@H](C)NC(=O)N1CCCN(CC)CC1 ZINC000159750481 162313887 /nfs/dbraw/zinc/31/38/87/162313887.db2.gz PEEGACFSQGXKQT-STQMWFEESA-N 0 3 255.406 2.158 20 70 CEIDHN CC[C@@H]1CCC[C@H]1NC(=O)N1CCCN(CC)CC1 ZINC000159973596 162319755 /nfs/dbraw/zinc/31/97/55/162319755.db2.gz LUHKOAYYUMUAOH-ZIAGYGMSSA-N 0 3 267.417 2.302 20 70 CEIDHN COc1ccc2c(c1)[C@@H](N[C@H](CCO)CSC)CC2 ZINC000160220095 162325416 /nfs/dbraw/zinc/32/54/16/162325416.db2.gz FUEWKLMVJTUOPR-DOMZBBRYSA-N 0 3 281.421 2.386 20 70 CEIDHN CCC[C@@H](O)CN[C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000159496056 278874894 /nfs/dbraw/zinc/87/48/94/278874894.db2.gz SRIISJZOUNWYQH-TZMCWYRMSA-N 0 3 299.436 2.292 20 70 CEIDHN CCN1CCC(NC(=O)N[C@H](C)CC(C)C)CC1 ZINC000159572667 297429151 /nfs/dbraw/zinc/42/91/51/297429151.db2.gz FQVZLRAYWBVIMC-GFCCVEGCSA-N 0 3 255.406 2.205 20 70 CEIDHN CCCNC(=O)c1cccc(CN[C@@H](COC)C2CC2)c1 ZINC000160646843 519903159 /nfs/dbraw/zinc/90/31/59/519903159.db2.gz HINSQKAQRRNOCT-INIZCTEOSA-N 0 3 290.407 2.341 20 70 CEIDHN CCOC[C@@H]1CCN(Cc2cnc3ccccn23)C1 ZINC000160943913 520132666 /nfs/dbraw/zinc/13/26/66/520132666.db2.gz VUQGYSOXYCVYPS-CYBMUJFWSA-N 0 3 259.353 2.193 20 70 CEIDHN CCc1nnc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)[n-]1 ZINC000160591241 522348851 /nfs/dbraw/zinc/34/88/51/522348851.db2.gz VKHUDOBRKNYJCW-AWEZNQCLSA-N 0 3 270.380 2.478 20 70 CEIDHN CCc1nnc(CN[C@@H](Cc2ccccc2)C2CC2)[nH]1 ZINC000160591241 522348858 /nfs/dbraw/zinc/34/88/58/522348858.db2.gz VKHUDOBRKNYJCW-AWEZNQCLSA-N 0 3 270.380 2.478 20 70 CEIDHN C[C@@H]1CCC[C@H](C(=O)NCCN2CCCCC2)C1 ZINC000160570770 524346458 /nfs/dbraw/zinc/34/64/58/524346458.db2.gz QSHLLEYEODIXKL-KGLIPLIRSA-N 0 3 252.402 2.415 20 70 CEIDHN CCCn1nccc1CNCCCc1c[nH]nc1C ZINC000160129032 540112373 /nfs/dbraw/zinc/11/23/73/540112373.db2.gz HJMSHPVIYLOLPY-UHFFFAOYSA-N 0 3 261.373 2.047 20 70 CEIDHN Cc1ccccc1CN(C)CCCCS(C)(=O)=O ZINC000161137339 540731345 /nfs/dbraw/zinc/73/13/45/540731345.db2.gz ZKRRLYIOCJSLJC-UHFFFAOYSA-N 0 3 269.410 2.252 20 70 CEIDHN c1csc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1 ZINC000159470662 366916752 /nfs/dbraw/zinc/91/67/52/366916752.db2.gz PVZGRUYBYMPKRO-DLOVCJGASA-N 0 3 250.367 2.190 20 70 CEIDHN CN(Cc1ccc(Cl)nc1)C[C@@H]1CCC[C@@H]1O ZINC000159482646 366918085 /nfs/dbraw/zinc/91/80/85/366918085.db2.gz KINZUDVEYBKJSC-RYUDHWBXSA-N 0 3 254.761 2.328 20 70 CEIDHN Cc1cc(Br)ccc1CNC(=O)C(C)(C)N ZINC000159544573 366923719 /nfs/dbraw/zinc/92/37/19/366923719.db2.gz GRRVPXOCXVWTAN-UHFFFAOYSA-N 0 3 285.185 2.111 20 70 CEIDHN Cc1ccc(C[C@@H](C)N(C)C(=O)[C@]2(F)CCNC2)cc1 ZINC000159639041 366934551 /nfs/dbraw/zinc/93/45/51/366934551.db2.gz INIICTIMALEGFD-CJNGLKHVSA-N 0 3 278.371 2.086 20 70 CEIDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ccccc1F ZINC000160021741 366967273 /nfs/dbraw/zinc/96/72/73/366967273.db2.gz UNTKSHXBSFUGEO-WNMQOVRZSA-N 0 3 292.354 2.297 20 70 CEIDHN C[C@@H]1Cc2ccccc2[C@@H]1NCC(=O)NCC(F)(F)F ZINC000160553765 367016491 /nfs/dbraw/zinc/01/64/91/367016491.db2.gz CZTNKOCAQLSSGQ-NOZJJQNGSA-N 0 3 286.297 2.188 20 70 CEIDHN CCn1cc([C@H](C)NC[C@@H](O)c2cccc(OC)c2)cn1 ZINC000161339902 367079783 /nfs/dbraw/zinc/07/97/83/367079783.db2.gz ZRLOPPCMTZHXKS-BLLLJJGKSA-N 0 3 289.379 2.296 20 70 CEIDHN Cc1ccc(CN[C@H](C)c2ccc(-n3cnnn3)cc2)cn1 ZINC000161324076 367078847 /nfs/dbraw/zinc/07/88/47/367078847.db2.gz ATARBMAXBUDSGY-CYBMUJFWSA-N 0 3 294.362 2.217 20 70 CEIDHN CSC[C@@](C)(O)CNCc1c[nH]nc1-c1ccccc1 ZINC000217850944 370201910 /nfs/dbraw/zinc/20/19/10/370201910.db2.gz UTSFRJFUCOCVBZ-HNNXBMFYSA-N 0 3 291.420 2.280 20 70 CEIDHN CC(C)N(CCN(C)C)C(=O)NC[C@@]1(C)CCCS1 ZINC000159621413 395059556 /nfs/dbraw/zinc/05/95/56/395059556.db2.gz QYOINBHFEUGBJS-CQSZACIVSA-N 0 3 287.473 2.254 20 70 CEIDHN Cc1ccc([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)o1 ZINC000160548924 395060579 /nfs/dbraw/zinc/06/05/79/395060579.db2.gz DQIYMHDLHYKGRK-ZYHUDNBSSA-N 0 3 260.341 2.154 20 70 CEIDHN CC[C@@H]1CO[C@@H](C)CN1C(=O)C[C@@H](N)c1ccccc1 ZINC000218365023 400308524 /nfs/dbraw/zinc/30/85/24/400308524.db2.gz ISYRXYHCZPIEHZ-NWANDNLSSA-N 0 3 276.380 2.102 20 70 CEIDHN COc1ccc(CNCCNC(=O)OC(C)(C)C)cc1F ZINC000218088501 400308647 /nfs/dbraw/zinc/30/86/47/400308647.db2.gz WUNIGDQEDZICLJ-UHFFFAOYSA-N 0 3 298.358 2.449 20 70 CEIDHN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCN2)C12CCCCC2 ZINC000161178657 286372286 /nfs/dbraw/zinc/37/22/86/286372286.db2.gz QUVITEUWDLJNCO-SOUVJXGZSA-N 0 3 294.439 2.373 20 70 CEIDHN CN(C)Cc1cccc(NC(=O)[C@@H]2CCn3ccnc3C2)c1 ZINC000159731350 162313628 /nfs/dbraw/zinc/31/36/28/162313628.db2.gz ZAFQDWCGSGWJSD-CQSZACIVSA-N 0 3 298.390 2.146 20 70 CEIDHN COCCN(C)CCCNC(=O)[C@@H](C)c1cccc(C)c1 ZINC000159800581 162315514 /nfs/dbraw/zinc/31/55/14/162315514.db2.gz DYVIBEXGKSWGPH-HNNXBMFYSA-N 0 3 292.423 2.183 20 70 CEIDHN COc1ccc2c(c1)[C@@H](N[C@H]1CCc3nc(C)nn3C1)CC2 ZINC000160386730 274134114 /nfs/dbraw/zinc/13/41/14/274134114.db2.gz HNZOCAPNRRFGDH-BBRMVZONSA-N 0 3 298.390 2.187 20 70 CEIDHN COc1ccc([C@H](C)N[C@H](CCO)CSC)c(OC)c1 ZINC000160354284 525336502 /nfs/dbraw/zinc/33/65/02/525336502.db2.gz NDHPHHMQQUXRGM-NWDGAFQWSA-N 0 3 299.436 2.468 20 70 CEIDHN Cc1oc2ccccc2c1CNCCNC(=O)C1CC1 ZINC000160788488 526789148 /nfs/dbraw/zinc/78/91/48/526789148.db2.gz IEJIKQIHTHDIQE-UHFFFAOYSA-N 0 3 272.348 2.357 20 70 CEIDHN CC(C)N(CCc1nccs1)CCN1CCCC1=O ZINC000159748892 528915445 /nfs/dbraw/zinc/91/54/45/528915445.db2.gz YPWVNXPTQAIAKV-UHFFFAOYSA-N 0 3 281.425 2.018 20 70 CEIDHN CC(C)N(CCc1nccs1)Cc1cncn1C ZINC000159829207 528915830 /nfs/dbraw/zinc/91/58/30/528915830.db2.gz WEUPKYYMTYTIQP-UHFFFAOYSA-N 0 3 264.398 2.330 20 70 CEIDHN C[C@@H](C(=O)NC[C@@H]1CCCN(C)C1)c1ccsc1 ZINC000159516654 344454890 /nfs/dbraw/zinc/45/48/90/344454890.db2.gz VEETXBAZOSTRQT-NEPJUHHUSA-N 0 3 266.410 2.310 20 70 CEIDHN Brc1cncc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000160590035 540118918 /nfs/dbraw/zinc/11/89/18/540118918.db2.gz FUCNSYHMDRZJTN-UTUOFQBUSA-N 0 3 283.169 2.254 20 70 CEIDHN CC1(OCC(=O)NC2CC(C)(C)CC(C)(C)C2)CNC1 ZINC000161242408 540135863 /nfs/dbraw/zinc/13/58/63/540135863.db2.gz GAPDDHLQLXHCOA-UHFFFAOYSA-N 0 3 282.428 2.086 20 70 CEIDHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cnc(C2CC2)s1 ZINC000159678314 366938866 /nfs/dbraw/zinc/93/88/66/366938866.db2.gz VJALYUAQTWBRAP-GXSJLCMTSA-N 0 3 279.409 2.106 20 70 CEIDHN c1c(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc2ccccn12 ZINC000159494550 366919607 /nfs/dbraw/zinc/91/96/07/366919607.db2.gz KFSZBKBWTXXUIN-BPUTZDHNSA-N 0 3 283.375 2.382 20 70 CEIDHN CN(C)[C@H](CNC(=O)C1(C)CC1)Cc1ccccc1 ZINC000159632352 366934244 /nfs/dbraw/zinc/93/42/44/366934244.db2.gz BMLNYZACJNRPTM-AWEZNQCLSA-N 0 3 260.381 2.076 20 70 CEIDHN CC(C)(N)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159807097 366950272 /nfs/dbraw/zinc/95/02/72/366950272.db2.gz IGAIYZAYLITYJA-LLVKDONJSA-N 0 3 266.772 2.393 20 70 CEIDHN C/C(=C/c1ccc(Cl)cc1)CNCCOCCO ZINC000159896817 366958172 /nfs/dbraw/zinc/95/81/72/366958172.db2.gz KVMLDLMISVEJQU-BENRWUELSA-N 0 3 269.772 2.342 20 70 CEIDHN C[C@H](N)C(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC000160041990 366967210 /nfs/dbraw/zinc/96/72/10/366967210.db2.gz NCHLDJQAAPHNAX-QMMMGPOBSA-N 0 3 272.751 2.220 20 70 CEIDHN COCCCN(C)CCNc1cc(Cl)nc(C2CC2)n1 ZINC000160049986 366969052 /nfs/dbraw/zinc/96/90/52/366969052.db2.gz FQUBJHSNUWFGOO-UHFFFAOYSA-N 0 3 298.818 2.388 20 70 CEIDHN c1cnnc(N2CCN(CCC3CCCC3)CC2)c1 ZINC000160168480 366979611 /nfs/dbraw/zinc/97/96/11/366979611.db2.gz KZSBYQBAZPJLID-UHFFFAOYSA-N 0 3 260.385 2.179 20 70 CEIDHN C[C@@H](NC(=O)[C@H]1CCCCN1)c1cccc(-n2cccn2)c1 ZINC000160567159 367018129 /nfs/dbraw/zinc/01/81/29/367018129.db2.gz FZFVNMVZGIXKOY-CZUORRHYSA-N 0 3 298.390 2.192 20 70 CEIDHN COCC(C)(C)C(=O)NCCCN(C)Cc1ccccc1 ZINC000160404324 367002727 /nfs/dbraw/zinc/00/27/27/367002727.db2.gz KYYOXIMLGWPQLF-UHFFFAOYSA-N 0 3 292.423 2.297 20 70 CEIDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1cnn(C(C)C)c1)CC2 ZINC000160537698 367015149 /nfs/dbraw/zinc/01/51/49/367015149.db2.gz DGPIVLZZZPPAMO-FZMZJTMJSA-N 0 3 288.399 2.030 20 70 CEIDHN CC[C@H](c1ccccc1)S(=O)(=O)C(C)C(=O)N(C)C ZINC000160545692 367015567 /nfs/dbraw/zinc/01/55/67/367015567.db2.gz SKMAMQYOOIZARU-WCQYABFASA-N 0 3 283.393 2.029 20 70 CEIDHN CC(C)[C@@H](N)C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000160906666 367042714 /nfs/dbraw/zinc/04/27/14/367042714.db2.gz IZLIKUGGPGELMD-AEGPPILISA-N 0 3 260.381 2.374 20 70 CEIDHN CCCCn1ncc(C(=O)NC[C@H]2CCCN2CC)c1C ZINC000161084082 367055291 /nfs/dbraw/zinc/05/52/91/367055291.db2.gz OHVFBGSUBJMVPL-CQSZACIVSA-N 0 3 292.427 2.206 20 70 CEIDHN CCCC(O)(CCC)CC(=O)NC[C@H](C)N(C)C1CC1 ZINC000161311094 367077567 /nfs/dbraw/zinc/07/75/67/367077567.db2.gz RQMFHAZCGHEYIW-ZDUSSCGKSA-N 0 3 284.444 2.307 20 70 CEIDHN Cc1ccc(NC(=O)[C@H](C)N)cc1OCC1CCOCC1 ZINC000161373483 367081605 /nfs/dbraw/zinc/08/16/05/367081605.db2.gz YXPICEAPBPDVLK-LBPRGKRZSA-N 0 3 292.379 2.086 20 70 CEIDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC1(C)C ZINC000160753702 367031495 /nfs/dbraw/zinc/03/14/95/367031495.db2.gz MAOXNGKOSQECAW-UPJWGTAASA-N 0 3 252.402 2.269 20 70 CEIDHN CC(C)C[C@H](N)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000161031782 395062722 /nfs/dbraw/zinc/06/27/22/395062722.db2.gz UOZOXSOPZFAGRQ-MJBXVCDLSA-N 0 3 252.402 2.445 20 70 CEIDHN CSCC[C@H](N)C(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000161048342 400283888 /nfs/dbraw/zinc/28/38/88/400283888.db2.gz LKVHUFGOBHDYSQ-JTQLQIEISA-N 0 3 284.429 2.017 20 70 CEIDHN CCC(CC)CNC(=O)N1CCCN(CC)CC1 ZINC000159885440 162316772 /nfs/dbraw/zinc/31/67/72/162316772.db2.gz BSHRVMSBYUQVQN-UHFFFAOYSA-N 0 3 255.406 2.160 20 70 CEIDHN Cc1cccc([C@@H]2CCCN2CCC(=O)NC(C)C)n1 ZINC000159852912 162315339 /nfs/dbraw/zinc/31/53/39/162315339.db2.gz FOIRUOCOVCNCQU-HNNXBMFYSA-N 0 3 275.396 2.442 20 70 CEIDHN CCC[C@@H](C)NC(=O)[C@H]1CCCN(CCOCC2CC2)C1 ZINC000159878639 162317082 /nfs/dbraw/zinc/31/70/82/162317082.db2.gz QHGGMUFQXOYPTD-ZBFHGGJFSA-N 0 3 296.455 2.430 20 70 CEIDHN CCN1CCCN(C(=O)N[C@@H](C)c2nc(C)cs2)CC1 ZINC000159810553 162317127 /nfs/dbraw/zinc/31/71/27/162317127.db2.gz DKWKMDQHHYIKBB-LBPRGKRZSA-N 0 3 296.440 2.250 20 70 CEIDHN CCSCC[C@@H](C)NC(=O)N1CCCN(CC)CC1 ZINC000159932270 162320145 /nfs/dbraw/zinc/32/01/45/162320145.db2.gz LOSHUUXVQAESAC-CYBMUJFWSA-N 0 3 287.473 2.255 20 70 CEIDHN C[C@@H](N)C(=O)NCC(C)(C)CCCc1ccccc1 ZINC000160121980 162322721 /nfs/dbraw/zinc/32/27/21/162322721.db2.gz AYLHGABHXBZMRK-CYBMUJFWSA-N 0 3 262.397 2.499 20 70 CEIDHN Cc1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)nc1 ZINC000160043128 162323500 /nfs/dbraw/zinc/32/35/00/162323500.db2.gz TZSKBYISZATDDR-AWEZNQCLSA-N 0 3 297.406 2.307 20 70 CEIDHN CC(C)[C@H](NCCC(C)(C)O)c1nnc2ccccn21 ZINC000159608093 280324666 /nfs/dbraw/zinc/32/46/66/280324666.db2.gz RZZFCCAPYKPUNW-ZDUSSCGKSA-N 0 3 276.384 2.177 20 70 CEIDHN CN(C)[C@H](CNC(=O)C1=CCCC1)Cc1ccccc1 ZINC000159633990 297429555 /nfs/dbraw/zinc/42/95/55/297429555.db2.gz DXCOIFGASCFJOX-INIZCTEOSA-N 0 3 272.392 2.386 20 70 CEIDHN CC(C)[C@@H](C(=O)NCCc1cc2ccccc2[nH]1)N(C)C ZINC000159705710 528362479 /nfs/dbraw/zinc/36/24/79/528362479.db2.gz JCDYBWQQHCGYDF-INIZCTEOSA-N 0 3 287.407 2.413 20 70 CEIDHN CC[C@@H](NC(=O)NC[C@@H]1CCCN(C)C1)c1nccs1 ZINC000159455871 344455060 /nfs/dbraw/zinc/45/50/60/344455060.db2.gz VDGCVKGADNMYOA-NWDGAFQWSA-N 0 3 296.440 2.235 20 70 CEIDHN CCCCOCCCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000160311277 344458501 /nfs/dbraw/zinc/45/85/01/344458501.db2.gz OGNDJCMGIQODIF-MRXNPFEDSA-N 0 3 290.407 2.196 20 70 CEIDHN CCS(=O)(=O)c1ccc([C@@H](C)NCC2(C)COC2)cc1 ZINC000159504858 540412566 /nfs/dbraw/zinc/41/25/66/540412566.db2.gz PQLRSANSEDLBNF-GFCCVEGCSA-N 0 3 297.420 2.167 20 70 CEIDHN CCN1CCCN(C(=O)NC[C@H]2Cc3ccccc32)CC1 ZINC000159731101 540430573 /nfs/dbraw/zinc/43/05/73/540430573.db2.gz CJVWLICNSCMHKG-OAHLLOKOSA-N 0 3 287.407 2.064 20 70 CEIDHN CC[C@H](N)C(=O)NCCOc1ccccc1C(C)(C)C ZINC000159512346 366921494 /nfs/dbraw/zinc/92/14/94/366921494.db2.gz KGBOWUASZPNAHU-ZDUSSCGKSA-N 0 3 278.396 2.216 20 70 CEIDHN CC(C)n1cc([C@@H](C)NCCCN2CCCC2=O)cn1 ZINC000159569525 366926435 /nfs/dbraw/zinc/92/64/35/366926435.db2.gz GEKOOXZPSRJEGD-CYBMUJFWSA-N 0 3 278.400 2.127 20 70 CEIDHN C[C@H]1CC[C@H](C(N)=O)CN1CC1=Cc2ccccc2OC1 ZINC000159600405 366931070 /nfs/dbraw/zinc/93/10/70/366931070.db2.gz NDZIKFJLCWITNF-WFASDCNBSA-N 0 3 286.375 2.048 20 70 CEIDHN CNCC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000159600970 366931310 /nfs/dbraw/zinc/93/13/10/366931310.db2.gz BHPAASNMSWSZEK-UHFFFAOYSA-N 0 3 262.353 2.304 20 70 CEIDHN COCCN1CCC[C@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC000159914508 366959846 /nfs/dbraw/zinc/95/98/46/366959846.db2.gz FVPQVNUFOQBMFM-HNNXBMFYSA-N 0 3 296.455 2.430 20 70 CEIDHN CC(C)C[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000159995896 366963263 /nfs/dbraw/zinc/96/32/63/366963263.db2.gz QEGVEBUOQYABDT-YNEHKIRRSA-N 0 3 267.417 2.345 20 70 CEIDHN C[C@@H]1C[C@H](NC(=O)NCC2(C3CC3)CCC2)CN1C1CC1 ZINC000159998892 366963944 /nfs/dbraw/zinc/96/39/44/366963944.db2.gz LKZQGULGSLKINL-OCCSQVGLSA-N 0 3 291.439 2.491 20 70 CEIDHN C[C@@H]1C[C@@H](NC(=O)NCC2(C3CC3)CCC2)CN1C1CC1 ZINC000159999166 366964443 /nfs/dbraw/zinc/96/44/43/366964443.db2.gz LKZQGULGSLKINL-TZMCWYRMSA-N 0 3 291.439 2.491 20 70 CEIDHN C[C@@H]1CCC[C@H](NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000160117779 366974849 /nfs/dbraw/zinc/97/48/49/366974849.db2.gz UHFGWHIPOZKWKB-XKSGDERDSA-N 0 3 294.439 2.214 20 70 CEIDHN Cc1noc(Cl)c1CC(=O)NCCN1CCCC[C@@H]1C ZINC000160252337 366987586 /nfs/dbraw/zinc/98/75/86/366987586.db2.gz IYBVJNLLIKYDID-JTQLQIEISA-N 0 3 299.802 2.170 20 70 CEIDHN CCOC(=O)N(C)C1CCN(CCSCC)CC1 ZINC000160318690 366995678 /nfs/dbraw/zinc/99/56/78/366995678.db2.gz RPBKLDUDNHKEFB-UHFFFAOYSA-N 0 3 274.430 2.292 20 70 CEIDHN COc1cc(NC(=O)C2(N)CCCCC2)ccc1F ZINC000160335309 366996593 /nfs/dbraw/zinc/99/65/93/366996593.db2.gz IVYBZGQDDCTKOQ-UHFFFAOYSA-N 0 3 266.316 2.434 20 70 CEIDHN CC(C)[C@@H](N)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160398156 367002838 /nfs/dbraw/zinc/00/28/38/367002838.db2.gz ZXKYAHSCDBIQEF-UKRRQHHQSA-N 0 3 278.371 2.200 20 70 CEIDHN CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)c1c(C)noc1C ZINC000160413723 367003725 /nfs/dbraw/zinc/00/37/25/367003725.db2.gz LIBIKWOALPRIJB-GXTWGEPZSA-N 0 3 281.400 2.445 20 70 CEIDHN CC1(C)CC[C@H](CN(CCO)Cc2ccccc2)O1 ZINC000160833040 367037113 /nfs/dbraw/zinc/03/71/13/367037113.db2.gz VRLXOPGHPICXFU-OAHLLOKOSA-N 0 3 263.381 2.439 20 70 CEIDHN C[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)Cc1cccs1 ZINC000161093555 367056554 /nfs/dbraw/zinc/05/65/54/367056554.db2.gz JXMJOZHOGUMMQX-ZYHUDNBSSA-N 0 3 268.426 2.416 20 70 CEIDHN C[C@H](O)C(C)(C)NCc1cc2ccccc2[nH]c1=O ZINC000161137356 367060800 /nfs/dbraw/zinc/06/08/00/367060800.db2.gz PZWIRNYMVCSLCR-JTQLQIEISA-N 0 3 260.337 2.189 20 70 CEIDHN CSc1cc2c(cc1CNC(C)(C)[C@H](C)O)OCCO2 ZINC000161130688 367061097 /nfs/dbraw/zinc/06/10/97/367061097.db2.gz GRZONGRXFXQCEN-JTQLQIEISA-N 0 3 297.420 2.429 20 70 CEIDHN CC1(O)CCN(CCC(=O)Nc2ccccc2F)CC1 ZINC000161191071 367066568 /nfs/dbraw/zinc/06/65/68/367066568.db2.gz RXGCSRWHXSLFIG-UHFFFAOYSA-N 0 3 280.343 2.001 20 70 CEIDHN CC[C@@H]1CCCCN1CCNC(=O)NC1(C)CCC1 ZINC000161389760 367082414 /nfs/dbraw/zinc/08/24/14/367082414.db2.gz BMCQYRQTKRPJQO-CYBMUJFWSA-N 0 3 267.417 2.493 20 70 CEIDHN C[C@@H](CN1CCCC1=O)NCc1cccc2cc[nH]c21 ZINC000218128611 370204977 /nfs/dbraw/zinc/20/49/77/370204977.db2.gz DEPPWTSNFFGKAH-LBPRGKRZSA-N 0 3 271.364 2.268 20 70 CEIDHN C[C@H]1CCCN(CCNC(=O)N2CCC3(CCC3)C2)C1 ZINC000160275376 395059913 /nfs/dbraw/zinc/05/99/13/395059913.db2.gz HLVROHGZTCMIPF-AWEZNQCLSA-N 0 3 279.428 2.304 20 70 CEIDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H]2C[C@@H]2c2cccnc2)C1 ZINC000161315059 395063780 /nfs/dbraw/zinc/06/37/80/395063780.db2.gz VXTSRGMIUABMOT-MIGQKNRLSA-N 0 3 287.407 2.030 20 70 CEIDHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cnc(C2CCC2)s1 ZINC000159678858 162309687 /nfs/dbraw/zinc/30/96/87/162309687.db2.gz YCOFBCKPILCOTB-ZYHUDNBSSA-N 0 3 293.436 2.496 20 70 CEIDHN CC(C)C[C@H](C)NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160121173 162322807 /nfs/dbraw/zinc/32/28/07/162322807.db2.gz BKBGJMZULJLUGI-RSUWNVLCSA-N 0 3 282.428 2.070 20 70 CEIDHN Cc1cccc([C@@H](C)NC[C@@H](O)COCC2CC2)c1 ZINC000160219462 162325941 /nfs/dbraw/zinc/32/59/41/162325941.db2.gz YWUFRVLIGQUHIZ-CZUORRHYSA-N 0 3 263.381 2.433 20 70 CEIDHN COc1cc2c(cc1CNC(C)(C)[C@H](C)O)O[C@@H](C)C2 ZINC000161145795 297442417 /nfs/dbraw/zinc/44/24/17/297442417.db2.gz LSLZQAVUXJLUDM-QWRGUYRKSA-N 0 3 279.380 2.268 20 70 CEIDHN CCCN1CCCN(C(=O)c2cc(Cl)ccn2)CC1 ZINC000160355613 519850802 /nfs/dbraw/zinc/85/08/02/519850802.db2.gz LLQQJTZBFLMQFT-UHFFFAOYSA-N 0 3 281.787 2.293 20 70 CEIDHN CC(C)OC[C@H](O)CNCc1cccc2cccnc21 ZINC000159413775 344455239 /nfs/dbraw/zinc/45/52/39/344455239.db2.gz NTKVMKWRPLPYSR-OAHLLOKOSA-N 0 3 274.364 2.110 20 70 CEIDHN CCOc1cc2c(cc1CN[C@@H]1CCN(C)C1)O[C@@H](C)C2 ZINC000218741539 539776221 /nfs/dbraw/zinc/77/62/21/539776221.db2.gz KNEAAEYYSIWNKA-SWLSCSKDSA-N 0 3 290.407 2.202 20 70 CEIDHN CC(=O)NC1CCC(NCc2cc(C(C)C)no2)CC1 ZINC000161483566 540839532 /nfs/dbraw/zinc/83/95/32/540839532.db2.gz IWYBUWFTZKIGGW-UHFFFAOYSA-N 0 3 279.384 2.335 20 70 CEIDHN CN(Cc1ccccc1)CC(C)(C)NCc1cncn1C ZINC000159406232 366909504 /nfs/dbraw/zinc/90/95/04/366909504.db2.gz KURWOZPBHSBYKU-UHFFFAOYSA-N 0 3 286.423 2.420 20 70 CEIDHN c1csc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n1 ZINC000159470821 366916690 /nfs/dbraw/zinc/91/66/90/366916690.db2.gz PVZGRUYBYMPKRO-JLLWLGSASA-N 0 3 250.367 2.190 20 70 CEIDHN Cc1ccc(F)c(CN2C[C@H](C(N)=O)CC[C@@H]2C)c1 ZINC000159515122 366921721 /nfs/dbraw/zinc/92/17/21/366921721.db2.gz KDLZQLDHFGZHTO-NWDGAFQWSA-N 0 3 264.344 2.220 20 70 CEIDHN CCC[C@@H](N)C(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000159592382 366929978 /nfs/dbraw/zinc/92/99/78/366929978.db2.gz XOSIMPIGZODFMZ-TZMCWYRMSA-N 0 3 286.379 2.177 20 70 CEIDHN CSCC[C@@H](N)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000159603879 366931231 /nfs/dbraw/zinc/93/12/31/366931231.db2.gz KXWVXDCYRXALAQ-CYBMUJFWSA-N 0 3 292.404 2.225 20 70 CEIDHN CCN1CCCN(C(=O)N[C@H](C)c2ncc(C)s2)CC1 ZINC000159953375 366960831 /nfs/dbraw/zinc/96/08/31/366960831.db2.gz MZLBDKRMDWRIDC-GFCCVEGCSA-N 0 3 296.440 2.250 20 70 CEIDHN CC(C)[C@H](N)C(=O)N1CCc2ccc(Br)cc21 ZINC000159995566 366963654 /nfs/dbraw/zinc/96/36/54/366963654.db2.gz KNMZNINROUNKGW-LBPRGKRZSA-N 0 3 297.196 2.322 20 70 CEIDHN CCN(CC(C)C)C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000160109602 366974819 /nfs/dbraw/zinc/97/48/19/366974819.db2.gz TXMMRHIBCOPOJH-HEHGZKQESA-N 0 3 282.428 2.023 20 70 CEIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)NCC(F)(F)F ZINC000160512856 367012655 /nfs/dbraw/zinc/01/26/55/367012655.db2.gz VPGYUJCLLZWAQK-ZJUUUORDSA-N 0 3 268.323 2.421 20 70 CEIDHN CC(C)(C)[C@H](N)C(=O)NCC1(c2cccc(F)c2)CC1 ZINC000160542263 367015534 /nfs/dbraw/zinc/01/55/34/367015534.db2.gz LNSSEQHKSHWKLX-CYBMUJFWSA-N 0 3 278.371 2.347 20 70 CEIDHN CC(C)[C@@H](N)C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000160906557 367043026 /nfs/dbraw/zinc/04/30/26/367043026.db2.gz IZLIKUGGPGELMD-VHDGCEQUSA-N 0 3 260.381 2.374 20 70 CEIDHN CCN(C)CCNC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000161136733 367060779 /nfs/dbraw/zinc/06/07/79/367060779.db2.gz COXYVJIHGXELMO-OAHLLOKOSA-N 0 3 293.386 2.454 20 70 CEIDHN CC(C)[C@@H](N)C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000161197980 367067477 /nfs/dbraw/zinc/06/74/77/367067477.db2.gz UTAOIRSIGGALTB-CYBMUJFWSA-N 0 3 266.360 2.203 20 70 CEIDHN C[C@@H]1CN(C(=O)C2(N)CC2)CC[C@@H]1c1ccccc1 ZINC000161231156 367069884 /nfs/dbraw/zinc/06/98/84/367069884.db2.gz QMIANWNUSOQNAA-OCCSQVGLSA-N 0 3 258.365 2.130 20 70 CEIDHN CNCC(=O)N(CCc1ccc(C)cc1)CC(F)(F)F ZINC000161249203 367071599 /nfs/dbraw/zinc/07/15/99/367071599.db2.gz CETWYKPDVISMIO-UHFFFAOYSA-N 0 3 288.313 2.148 20 70 CEIDHN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)CNC ZINC000161246758 367071994 /nfs/dbraw/zinc/07/19/94/367071994.db2.gz XBRAHDFBCWBSCT-HNNXBMFYSA-N 0 3 262.397 2.384 20 70 CEIDHN CSCC[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000161260592 367073226 /nfs/dbraw/zinc/07/32/26/367073226.db2.gz VTSPFQWFTRTVSV-CABCVRRESA-N 0 3 292.448 2.204 20 70 CEIDHN COc1ccc(CNCCNC(=O)OC(C)(C)C)cc1O ZINC000218178837 370206391 /nfs/dbraw/zinc/20/63/91/370206391.db2.gz IZWHGAFESDSVOD-UHFFFAOYSA-N 0 3 296.367 2.015 20 70 CEIDHN C[C@@H]1CCCN(CCNC(=O)N2CCC3(CCC3)C2)C1 ZINC000160275249 395060317 /nfs/dbraw/zinc/06/03/17/395060317.db2.gz HLVROHGZTCMIPF-CQSZACIVSA-N 0 3 279.428 2.304 20 70 CEIDHN C[C@@H](N)C(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000161051965 400283738 /nfs/dbraw/zinc/28/37/38/400283738.db2.gz IVIBYVHORAUJAA-VHSXEESVSA-N 0 3 254.761 2.077 20 70 CEIDHN CCN1CCCN(C(=O)NC[C@@H]2CC=CCC2)CC1 ZINC000159771951 162312206 /nfs/dbraw/zinc/31/22/06/162312206.db2.gz OTQCUVHACPCIID-CQSZACIVSA-N 0 3 265.401 2.080 20 70 CEIDHN CC[C@@H]1COCCN1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159713781 162313413 /nfs/dbraw/zinc/31/34/13/162313413.db2.gz DWOXSNSUBKJUHK-OAHLLOKOSA-N 0 3 296.455 2.382 20 70 CEIDHN CC(=O)NCCCN1CCC[C@@H]1c1cccc(C)n1 ZINC000159962186 162318191 /nfs/dbraw/zinc/31/81/91/162318191.db2.gz MDOJXJVWYVZMPC-OAHLLOKOSA-N 0 3 261.369 2.053 20 70 CEIDHN CCO[C@@H](CCNC(=O)N1CCCN(CC)CC1)C(C)C ZINC000159936924 162319283 /nfs/dbraw/zinc/31/92/83/162319283.db2.gz RSDLBINHQKFITA-HNNXBMFYSA-N 0 3 299.459 2.175 20 70 CEIDHN CC[C@H](C)[C@H](C)NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160383446 287710061 /nfs/dbraw/zinc/71/00/61/287710061.db2.gz LDTOJGVIRWXSNA-CQUYNDQOSA-N 0 3 282.428 2.070 20 70 CEIDHN CCN1CCCN(C(=O)NCC2(C(C)C)CC2)CC1 ZINC000159960607 279285423 /nfs/dbraw/zinc/28/54/23/279285423.db2.gz PQDPPJHUQJWBBB-UHFFFAOYSA-N 0 3 267.417 2.160 20 70 CEIDHN Cc1cnc([C@H](C)NC(=O)N(CCN(C)C)C(C)C)s1 ZINC000159480241 292947479 /nfs/dbraw/zinc/94/74/79/292947479.db2.gz IPHOTDMNKOOKPN-LBPRGKRZSA-N 0 3 298.456 2.494 20 70 CEIDHN CCCN1CCCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC000160358433 519850355 /nfs/dbraw/zinc/85/03/55/519850355.db2.gz VHAJNWXWKYGRIF-OAHLLOKOSA-N 0 3 290.407 2.398 20 70 CEIDHN CCn1cc([C@H](C)NC[C@H]2CCCCN2CC)cn1 ZINC000161189769 523473779 /nfs/dbraw/zinc/47/37/79/523473779.db2.gz RIMQPLSKJSXPKP-DZGCQCFKSA-N 0 3 264.417 2.428 20 70 CEIDHN CCC(CC)CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160901285 282166201 /nfs/dbraw/zinc/16/62/01/282166201.db2.gz VZXXMUAWXOOFFM-DVOMOZLQSA-N 0 3 282.428 2.071 20 70 CEIDHN NCc1cccc(NC(=O)N2C[C@H]3CCC[C@@H]3C2)c1 ZINC000160063781 540111098 /nfs/dbraw/zinc/11/10/98/540111098.db2.gz OFPUGUHXFHXLTF-CHWSQXEVSA-N 0 3 259.353 2.409 20 70 CEIDHN Cc1ncsc1CCN[C@](C)(CO)c1ccccc1 ZINC000217732027 540412805 /nfs/dbraw/zinc/41/28/05/540412805.db2.gz HKNKEHYIJAXPMA-OAHLLOKOSA-N 0 3 276.405 2.491 20 70 CEIDHN CC[C@@H](C(=O)NC[C@H](OC)c1ccccc1Cl)N(C)C ZINC000161395877 540812464 /nfs/dbraw/zinc/81/24/64/540812464.db2.gz NNCCFKBBFDYKPC-KBPBESRZSA-N 0 3 298.814 2.484 20 70 CEIDHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cnc(C2CC2)s1 ZINC000159677908 366939106 /nfs/dbraw/zinc/93/91/06/366939106.db2.gz VJALYUAQTWBRAP-KOLCDFICSA-N 0 3 279.409 2.106 20 70 CEIDHN CC(C)[C@H](N)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000159724106 366943583 /nfs/dbraw/zinc/94/35/83/366943583.db2.gz KDZGNNJRSBJNQY-ZNMIVQPWSA-N 0 3 260.381 2.422 20 70 CEIDHN c1c(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc2ccccn12 ZINC000159494417 366919497 /nfs/dbraw/zinc/91/94/97/366919497.db2.gz KFSZBKBWTXXUIN-IMJJTQAJSA-N 0 3 283.375 2.382 20 70 CEIDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ccc(F)cc1 ZINC000160018736 366964973 /nfs/dbraw/zinc/96/49/73/366964973.db2.gz BWJARHAKQLKVCK-ZENOOKHLSA-N 0 3 292.354 2.297 20 70 CEIDHN CN(CCCNC(=O)[C@@H]1CCCCO1)Cc1ccccc1 ZINC000160220059 366984525 /nfs/dbraw/zinc/98/45/25/366984525.db2.gz BDQORKDKURDNIN-INIZCTEOSA-N 0 3 290.407 2.194 20 70 CEIDHN CCC1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000160271021 366989080 /nfs/dbraw/zinc/98/90/80/366989080.db2.gz LLIRFHJRSYPAFN-JKIFEVAISA-N 0 3 294.439 2.168 20 70 CEIDHN Cc1nc2ccccn2c1CN1CCCC[C@@H]1CCO ZINC000160318362 366995362 /nfs/dbraw/zinc/99/53/62/366995362.db2.gz MLDGBAUOMBGKNS-CQSZACIVSA-N 0 3 273.380 2.380 20 70 CEIDHN COCc1ccc(CN[C@@H]2CCOC(C)(C)C2)o1 ZINC000160469638 367009132 /nfs/dbraw/zinc/00/91/32/367009132.db2.gz IDOIWGWDOSUNDU-LLVKDONJSA-N 0 3 253.342 2.473 20 70 CEIDHN C[C@H](N)C(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000161045530 367051012 /nfs/dbraw/zinc/05/10/12/367051012.db2.gz IERQDIZGOLEQPV-KWBADKCTSA-N 0 3 250.317 2.082 20 70 CEIDHN COc1ccc(NC(=O)[C@H](C)N2CCCCCC2)cc1N ZINC000161074761 367053455 /nfs/dbraw/zinc/05/34/55/367053455.db2.gz WNQOMZSFAKBWGE-LBPRGKRZSA-N 0 3 291.395 2.480 20 70 CEIDHN CC(C)[C@@H](N)C(=O)NCC(C)(C)Cc1ccccc1 ZINC000161076684 367053796 /nfs/dbraw/zinc/05/37/96/367053796.db2.gz BBTSCGQFVUXHRV-CQSZACIVSA-N 0 3 262.397 2.355 20 70 CEIDHN CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc([O-])cc1Cl ZINC000161089908 367056760 /nfs/dbraw/zinc/05/67/60/367056760.db2.gz ACTKZMYRZPIAKN-LBPRGKRZSA-N 0 3 296.798 2.189 20 70 CEIDHN CC[N@H+]1CCC[C@H]1CNC(=O)Cc1ccc([O-])cc1Cl ZINC000161089908 367056762 /nfs/dbraw/zinc/05/67/62/367056762.db2.gz ACTKZMYRZPIAKN-LBPRGKRZSA-N 0 3 296.798 2.189 20 70 CEIDHN CCOc1cc(CNC(C)(C)[C@H](C)O)ccc1OC ZINC000161126600 367059040 /nfs/dbraw/zinc/05/90/40/367059040.db2.gz YNKGBFNJWDQKOO-NSHDSACASA-N 0 3 267.369 2.343 20 70 CEIDHN C[C@@H](O)C(C)(C)NCc1cccc2c1OCCCO2 ZINC000161125081 367059853 /nfs/dbraw/zinc/05/98/53/367059853.db2.gz CKQNMLWWOKXONT-LLVKDONJSA-N 0 3 265.353 2.097 20 70 CEIDHN COc1cc2c(cc1CNC(C)(C)[C@@H](C)O)O[C@@H](C)C2 ZINC000161145579 367062281 /nfs/dbraw/zinc/06/22/81/367062281.db2.gz LSLZQAVUXJLUDM-WDEREUQCSA-N 0 3 279.380 2.268 20 70 CEIDHN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)CNC ZINC000161246892 367071756 /nfs/dbraw/zinc/07/17/56/367071756.db2.gz XBRAHDFBCWBSCT-OAHLLOKOSA-N 0 3 262.397 2.384 20 70 CEIDHN CN(C[C@H]1CCCN1C)C(=O)NC1CCCCC1 ZINC000160668229 367025465 /nfs/dbraw/zinc/02/54/65/367025465.db2.gz FDBCKSVUIGBHHN-CYBMUJFWSA-N 0 3 253.390 2.055 20 70 CEIDHN COCCCN(C)CCNC(=O)C1CCC(C)(C)CC1 ZINC000160683975 367026874 /nfs/dbraw/zinc/02/68/74/367026874.db2.gz QYRPDZPCCJHKPN-UHFFFAOYSA-N 0 3 284.444 2.287 20 70 CEIDHN CC1CCN(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)CC1 ZINC000160680929 367027000 /nfs/dbraw/zinc/02/70/00/367027000.db2.gz YEKBJQQYYKKQLW-UONOGXRCSA-N 0 3 265.401 2.007 20 70 CEIDHN COC(CN1CCC[C@H]1C[C@H](O)c1cccs1)OC ZINC000161459035 367088273 /nfs/dbraw/zinc/08/82/73/367088273.db2.gz SZQWQAVSUPGGIH-RYUDHWBXSA-N 0 3 285.409 2.255 20 70 CEIDHN CN(C)CCNC(=O)Nc1c(F)cccc1Cl ZINC000217313252 370193521 /nfs/dbraw/zinc/19/35/21/370193521.db2.gz VSCPPPTXOCBOFJ-UHFFFAOYSA-N 0 3 259.712 2.162 20 70 CEIDHN CC[C@@H](C(=O)N1CCOC2(C1)CCCCCC2)N(C)C ZINC000161247329 395063414 /nfs/dbraw/zinc/06/34/14/395063414.db2.gz CAAGYBIUNUFNHK-AWEZNQCLSA-N 0 3 282.428 2.278 20 70 CEIDHN CC[C@H](N)C(=O)N[C@@H](C)[C@H](OC)c1ccc(Cl)cc1 ZINC000161059266 400284243 /nfs/dbraw/zinc/28/42/43/400284243.db2.gz BZNPGPHMFYMPKJ-XDTLVQLUSA-N 0 3 284.787 2.270 20 70 CEIDHN NC1(C(=O)NCCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000217113398 400307231 /nfs/dbraw/zinc/30/72/31/400307231.db2.gz GRRNHQOYYPWETO-UHFFFAOYSA-N 0 3 262.397 2.200 20 70 CEIDHN CC[C@H](C(=O)N1CCO[C@@H](c2ccccc2C)C1)N(C)C ZINC000159936648 162318423 /nfs/dbraw/zinc/31/84/23/162318423.db2.gz IMVOYTAFIWHNEH-HZPDHXFCSA-N 0 3 290.407 2.235 20 70 CEIDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ccccc1 ZINC000159949744 162318604 /nfs/dbraw/zinc/31/86/04/162318604.db2.gz LXBBBLVYOSXDEK-IOASZLSFSA-N 0 3 274.364 2.158 20 70 CEIDHN COc1ccc(CNCC2(CO)CCCC2)c(OC)c1 ZINC000160102306 162322084 /nfs/dbraw/zinc/32/20/84/162322084.db2.gz UBCHXBZXHIQBNM-UHFFFAOYSA-N 0 3 279.380 2.346 20 70 CEIDHN CC[C@H](C(=O)N1CC=C(c2ccc(O)cc2)CC1)N(C)C ZINC000160243586 162325523 /nfs/dbraw/zinc/32/55/23/162325523.db2.gz BJIFJPRLQKFAKG-MRXNPFEDSA-N 0 3 288.391 2.348 20 70 CEIDHN COc1ccc(OC)c([C@H](C)N[C@@H](CCO)CSC)c1 ZINC000160177289 162326259 /nfs/dbraw/zinc/32/62/59/162326259.db2.gz PVSUFDCBJJHHRZ-RYUDHWBXSA-N 0 3 299.436 2.468 20 70 CEIDHN CC[C@]1(C)CCCN(C(=O)[C@H](N)CCSC)C1 ZINC000160778450 276652162 /nfs/dbraw/zinc/65/21/62/276652162.db2.gz FGWFUHCFNWKHQL-DGCLKSJQSA-N 0 3 258.431 2.106 20 70 CEIDHN CCCN(C(=O)CNC)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000160614177 278744121 /nfs/dbraw/zinc/74/41/21/278744121.db2.gz SVPZNLXNAOHBTR-KBPBESRZSA-N 0 3 282.428 2.182 20 70 CEIDHN COc1cc2c(cc1CNC(C)(C)[C@H](C)O)O[C@H](C)C2 ZINC000161145674 297442050 /nfs/dbraw/zinc/44/20/50/297442050.db2.gz LSLZQAVUXJLUDM-MNOVXSKESA-N 0 3 279.380 2.268 20 70 CEIDHN CS[C@H](C)CC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000161380584 297444460 /nfs/dbraw/zinc/44/44/60/297444460.db2.gz GGKXNGCFUNEEMQ-QWHCGFSZSA-N 0 3 272.458 2.365 20 70 CEIDHN C[C@@H](CN1CCOCC1)NCc1cc(F)cc(Cl)c1 ZINC000160838352 524628146 /nfs/dbraw/zinc/62/81/46/524628146.db2.gz LHSFWGWRIZJRMK-NSHDSACASA-N 0 3 286.778 2.289 20 70 CEIDHN CSCC[C@@H](N)C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000161198131 525542624 /nfs/dbraw/zinc/54/26/24/525542624.db2.gz DHSALUNHVPHQQM-CYBMUJFWSA-N 0 3 298.427 2.300 20 70 CEIDHN OCCOC1CCN(CCCOc2ccc(F)cc2)CC1 ZINC000160434661 527555745 /nfs/dbraw/zinc/55/57/45/527555745.db2.gz IPXDRVRNFGVLAN-UHFFFAOYSA-N 0 3 297.370 2.068 20 70 CEIDHN CC(C)N(CCN(C)C)C(=O)NCC1(C(C)C)CC1 ZINC000159520228 528892610 /nfs/dbraw/zinc/89/26/10/528892610.db2.gz JISKXVAYXYNDGR-UHFFFAOYSA-N 0 3 269.433 2.404 20 70 CEIDHN Cc1cccc(CCN[C@@H](C(N)=O)c2ccccc2)c1 ZINC000159843994 344455934 /nfs/dbraw/zinc/45/59/34/344455934.db2.gz DEZGQCVOTVRYGE-MRXNPFEDSA-N 0 3 268.360 2.354 20 70 CEIDHN NCc1cccc(NC(=O)N2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000160063638 540111045 /nfs/dbraw/zinc/11/10/45/540111045.db2.gz OFPUGUHXFHXLTF-BETUJISGSA-N 0 3 259.353 2.409 20 70 CEIDHN CCc1cccc(OC[C@@H](O)CNCCOC(C)C)c1 ZINC000160203260 540113390 /nfs/dbraw/zinc/11/33/90/540113390.db2.gz UZJWNGBNYRPNOF-HNNXBMFYSA-N 0 3 281.396 2.003 20 70 CEIDHN COCCN(C)CCN[C@H](C)c1ccc(F)cc1N(C)C ZINC000159401274 366908770 /nfs/dbraw/zinc/90/87/70/366908770.db2.gz FYKXYVSGTIMUFD-CYBMUJFWSA-N 0 3 297.418 2.121 20 70 CEIDHN CCN1CCC(NC(=O)N[C@@H](C)CC(C)C)CC1 ZINC000159572570 366926467 /nfs/dbraw/zinc/92/64/67/366926467.db2.gz FQVZLRAYWBVIMC-LBPRGKRZSA-N 0 3 255.406 2.205 20 70 CEIDHN C[C@@H](N)C(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000159974629 366962389 /nfs/dbraw/zinc/96/23/89/366962389.db2.gz ZYGIELGLTUQUIM-ZCFIWIBFSA-N 0 3 280.221 2.053 20 70 CEIDHN COC(=O)c1ccc(CN2C[C@@H]3CCC[C@H]3C2)nc1 ZINC000159991359 366963638 /nfs/dbraw/zinc/96/36/38/366963638.db2.gz PUMLLDGHCLZRSJ-STQMWFEESA-N 0 3 260.337 2.100 20 70 CEIDHN CC[C@@H](COC)NCc1ccc(OC(C)C)nc1 ZINC000160100246 366973681 /nfs/dbraw/zinc/97/36/81/366973681.db2.gz LXHGJCJJYKRNFX-ZDUSSCGKSA-N 0 3 252.358 2.383 20 70 CEIDHN COc1cc2c(cc1CN[C@]1(C)CCOC1)O[C@@H](C)C2 ZINC000160183768 366979343 /nfs/dbraw/zinc/97/93/43/366979343.db2.gz MFRPQLWMGKJICS-MEDUHNTESA-N 0 3 277.364 2.287 20 70 CEIDHN NC[C@@H]1CCCN1C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000160313403 366993371 /nfs/dbraw/zinc/99/33/71/366993371.db2.gz LLVSYEOOVWPPCT-ZDUSSCGKSA-N 0 3 294.782 2.253 20 70 CEIDHN CN(C)Cc1ccc(C(=O)N(C)Cc2ccccn2)cc1 ZINC000160628543 367022841 /nfs/dbraw/zinc/02/28/41/367022841.db2.gz OTBRZFVYHKITJG-UHFFFAOYSA-N 0 3 283.375 2.415 20 70 CEIDHN CNC(=O)[C@H](C)CN(C)Cc1ccc(OC)c(Cl)c1 ZINC000160498435 367011363 /nfs/dbraw/zinc/01/13/63/367011363.db2.gz DLWHQHQNMSKYLA-SNVBAGLBSA-N 0 3 284.787 2.163 20 70 CEIDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1cnn(C(C)C)c1)CC2 ZINC000160537825 367015390 /nfs/dbraw/zinc/01/53/90/367015390.db2.gz DGPIVLZZZPPAMO-BXUZGUMPSA-N 0 3 288.399 2.030 20 70 CEIDHN Cc1nnc(CN2CCC(c3ccn[nH]3)CC2)n1C1CC1 ZINC000160545464 367015646 /nfs/dbraw/zinc/01/56/46/367015646.db2.gz CWKZWSMGMNSFDL-UHFFFAOYSA-N 0 3 286.383 2.024 20 70 CEIDHN CSCC[C@H](N)C(=O)NCc1oc2ccccc2c1C ZINC000160818791 367035621 /nfs/dbraw/zinc/03/56/21/367035621.db2.gz RNCWDYDFAWVACO-LBPRGKRZSA-N 0 3 292.404 2.438 20 70 CEIDHN CSCC[C@H](N)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000160890185 367040503 /nfs/dbraw/zinc/04/05/03/367040503.db2.gz NMDVLVMDBGRXNO-BZPMIXESSA-N 0 3 280.437 2.375 20 70 CEIDHN CS[C@H](C)CC(=O)NCCN(C)Cc1ccccc1 ZINC000160891246 367040744 /nfs/dbraw/zinc/04/07/44/367040744.db2.gz RPHPOVLBCRJORL-CYBMUJFWSA-N 0 3 280.437 2.376 20 70 CEIDHN CS[C@@H](C)CC(=O)NCCN(C)Cc1ccccc1 ZINC000160891105 367040838 /nfs/dbraw/zinc/04/08/38/367040838.db2.gz RPHPOVLBCRJORL-ZDUSSCGKSA-N 0 3 280.437 2.376 20 70 CEIDHN CSCC[C@@H](N)C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000160907047 367042975 /nfs/dbraw/zinc/04/29/75/367042975.db2.gz MDCBFHJFJRMUED-VHDGCEQUSA-N 0 3 292.448 2.471 20 70 CEIDHN CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](C)Oc1ccccc1F ZINC000161163154 367064376 /nfs/dbraw/zinc/06/43/76/367064376.db2.gz DRIXRKZBMOEDMO-MISXGVKJSA-N 0 3 282.359 2.083 20 70 CEIDHN CCCN(CCO)Cc1cnc(N(CC)CC)s1 ZINC000161193316 367067517 /nfs/dbraw/zinc/06/75/17/367067517.db2.gz DFEXWLZBOHKSDA-UHFFFAOYSA-N 0 3 271.430 2.194 20 70 CEIDHN CC[C@H](C)OCC(=O)NCCN(C)Cc1ccccc1 ZINC000160676566 367027346 /nfs/dbraw/zinc/02/73/46/367027346.db2.gz XDUFCAVDNANVEA-AWEZNQCLSA-N 0 3 278.396 2.050 20 70 CEIDHN CC[C@H](C)OCC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000160752579 367031632 /nfs/dbraw/zinc/03/16/32/367031632.db2.gz UKKHOUNDBWVIEC-MJBXVCDLSA-N 0 3 270.417 2.038 20 70 CEIDHN CC(C)NC(=O)CN[C@@H](C)C(C)(C)c1ccccc1 ZINC000160913730 395062158 /nfs/dbraw/zinc/06/21/58/395062158.db2.gz DVTZRBICQXVFAH-ZDUSSCGKSA-N 0 3 262.397 2.467 20 70 CEIDHN CC(C)Cc1ncc(CN2C[C@H](C(N)=O)CC[C@@H]2C)s1 ZINC000159709013 162312740 /nfs/dbraw/zinc/31/27/40/162312740.db2.gz ZNZWVCTXLFOTAR-NWDGAFQWSA-N 0 3 295.452 2.427 20 70 CEIDHN COc1c(C)cc(CN2CCC(CC(N)=O)CC2)cc1C ZINC000159758927 162313078 /nfs/dbraw/zinc/31/30/78/162313078.db2.gz HYRDWSQTRAWGLF-UHFFFAOYSA-N 0 3 290.407 2.399 20 70 CEIDHN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CCOCC2CC2)C1 ZINC000159878375 162317065 /nfs/dbraw/zinc/31/70/65/162317065.db2.gz QHGGMUFQXOYPTD-GDBMZVCRSA-N 0 3 296.455 2.430 20 70 CEIDHN C[C@@H](NCCOc1ccc(F)cc1F)c1cnn(C)c1 ZINC000160079803 162321918 /nfs/dbraw/zinc/32/19/18/162321918.db2.gz ZUBYCQWZMCCGNS-SNVBAGLBSA-N 0 3 281.306 2.428 20 70 CEIDHN CC(C)(C)C1CCC(CN2CCO[C@@H](C(N)=O)C2)CC1 ZINC000159900646 278300693 /nfs/dbraw/zinc/30/06/93/278300693.db2.gz FJORLWJKHZVMNC-JXQTWKCFSA-N 0 3 282.428 2.025 20 70 CEIDHN COC(=O)CCN(Cc1cnc2ccccn12)C(C)C ZINC000160398345 523069641 /nfs/dbraw/zinc/06/96/41/523069641.db2.gz MAPUDSRADDMSCP-UHFFFAOYSA-N 0 3 275.352 2.108 20 70 CEIDHN CSCC[C@@H](N)C(=O)NCC1(CC(C)C)CCC1 ZINC000160678596 525541614 /nfs/dbraw/zinc/54/16/14/525541614.db2.gz TXZOSJSBVJHOCB-GFCCVEGCSA-N 0 3 272.458 2.399 20 70 CEIDHN Cc1nc2n(n1)C[C@@H](N[C@@H]1CCc3cc(F)ccc31)CC2 ZINC000160304769 282118191 /nfs/dbraw/zinc/11/81/91/282118191.db2.gz KGWZIARZSHVIFB-DZGCQCFKSA-N 0 3 286.354 2.318 20 70 CEIDHN CSCC[C@@H](C)N(C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160701330 344460461 /nfs/dbraw/zinc/46/04/61/344460461.db2.gz HMBSXDRDDOLKFU-TZMCWYRMSA-N 0 3 299.484 2.254 20 70 CEIDHN C[C@@H](CNC(=O)[C@@H]1CCCCN1)Oc1ccc(Cl)cc1 ZINC000161135772 188510163 /nfs/dbraw/zinc/51/01/63/188510163.db2.gz VHCOBVOXGJDIDK-FZMZJTMJSA-N 0 3 296.798 2.366 20 70 CEIDHN CCCn1nccc1CNCCOc1ccccc1 ZINC000160121814 540111871 /nfs/dbraw/zinc/11/18/71/540111871.db2.gz WZQALBKEOVPBTH-UHFFFAOYSA-N 0 3 259.353 2.462 20 70 CEIDHN Cn1cc(CCCN2CCN(C)C[C@@H]2c2ccccc2)cn1 ZINC000161331242 540780071 /nfs/dbraw/zinc/78/00/71/540780071.db2.gz FKUKOJODYUIUJN-GOSISDBHSA-N 0 3 298.434 2.341 20 70 CEIDHN CN(C)C[C@@H]1CCCCN1C(=O)CCCn1cccc1 ZINC000159401495 366909515 /nfs/dbraw/zinc/90/95/15/366909515.db2.gz BPMMZEHVELCCRW-HNNXBMFYSA-N 0 3 277.412 2.211 20 70 CEIDHN CC[C@@H](C)[C@H](N)C(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000159438510 366912951 /nfs/dbraw/zinc/91/29/51/366912951.db2.gz NHIJTKXWQFGDJI-SKDRFNHKSA-N 0 3 266.389 2.310 20 70 CEIDHN CC(C)NC(=O)[C@@H](C)NCc1cccc2cccnc21 ZINC000159437690 366913378 /nfs/dbraw/zinc/91/33/78/366913378.db2.gz VBXAZFBZIRHHNO-GFCCVEGCSA-N 0 3 271.364 2.238 20 70 CEIDHN COc1ccccc1OCCN(C)CCOCC1CC1 ZINC000159441105 366913470 /nfs/dbraw/zinc/91/34/70/366913470.db2.gz XGDLLGIJBKUDSQ-UHFFFAOYSA-N 0 3 279.380 2.432 20 70 CEIDHN C[C@@H]1CC[C@@H](C(N)=O)CN1C/C=C/c1ccc(F)cc1 ZINC000159627867 366934385 /nfs/dbraw/zinc/93/43/85/366934385.db2.gz AOPWPBHGWYZTHC-SDEBIZQBSA-N 0 3 276.355 2.425 20 70 CEIDHN CCN(CC)C(=O)C[C@H](C)NC[C@](C)(O)c1ccsc1 ZINC000160081416 366972013 /nfs/dbraw/zinc/97/20/13/366972013.db2.gz VUGMLXSFJORBMQ-WFASDCNBSA-N 0 3 298.452 2.192 20 70 CEIDHN C[C@@H](CN1CCCCC1)NC(=O)NC[C@@]1(C)CCCS1 ZINC000160305718 366993438 /nfs/dbraw/zinc/99/34/38/366993438.db2.gz WIBKFQVYTFLSOV-DZGCQCFKSA-N 0 3 299.484 2.446 20 70 CEIDHN COCC[C@@H](C)NCc1cncc(Br)c1 ZINC000160581575 367019572 /nfs/dbraw/zinc/01/95/72/367019572.db2.gz JFHDZEBANUJSMK-SECBINFHSA-N 0 3 273.174 2.359 20 70 CEIDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ccnc(C2CC2)n1 ZINC000160424837 367004846 /nfs/dbraw/zinc/00/48/46/367004846.db2.gz KNPQJMLFJAIIQG-AAEUAGOBSA-N 0 3 260.385 2.130 20 70 CEIDHN COc1ccc(CCN(CC(C)(C)C)C(=O)[C@@H](C)N)cc1 ZINC000160879769 367039297 /nfs/dbraw/zinc/03/92/97/367039297.db2.gz KJQMKVWVQRJUJX-CYBMUJFWSA-N 0 3 292.423 2.460 20 70 CEIDHN CCN1CCC[C@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC000161083805 367054625 /nfs/dbraw/zinc/05/46/25/367054625.db2.gz RIWOHEAJLYLKHD-AWEZNQCLSA-N 0 3 275.396 2.419 20 70 CEIDHN COCC[C@@H](C)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000160767070 367032769 /nfs/dbraw/zinc/03/27/69/367032769.db2.gz KVFJGARKQWBIGI-GDBMZVCRSA-N 0 3 290.407 2.365 20 70 CEIDHN Cc1nn(C)cc1CNC1CCN(c2ccccc2)CC1 ZINC000160762913 367032842 /nfs/dbraw/zinc/03/28/42/367032842.db2.gz RUOZLHCKRREBCN-UHFFFAOYSA-N 0 3 284.407 2.487 20 70 CEIDHN CC[C@H](COC)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000160772081 367033004 /nfs/dbraw/zinc/03/30/04/367033004.db2.gz LMBDTBMCXIIYPI-HZPDHXFCSA-N 0 3 290.407 2.365 20 70 CEIDHN COC[C@H](NCc1ccccc1N1CCOCC1)C1CC1 ZINC000161476229 367088915 /nfs/dbraw/zinc/08/89/15/367088915.db2.gz JQEHSLVZIIYIAA-INIZCTEOSA-N 0 3 290.407 2.038 20 70 CEIDHN CCc1ncnc(NC[C@@H]2CCCN2CC)c1F ZINC000217955579 370202451 /nfs/dbraw/zinc/20/24/51/370202451.db2.gz NRBCHAGFHAJGAF-JTQLQIEISA-N 0 3 252.337 2.074 20 70 CEIDHN CSC[C@@](C)(O)CNCc1cc2ccccc2[nH]c1=O ZINC000217852857 153298719 /nfs/dbraw/zinc/29/87/19/153298719.db2.gz FHQZABCQNKDQPX-HNNXBMFYSA-N 0 3 292.404 2.144 20 70 CEIDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(CCOCC2CC2)C1 ZINC000159878780 162315249 /nfs/dbraw/zinc/31/52/49/162315249.db2.gz QHGGMUFQXOYPTD-HOCLYGCPSA-N 0 3 296.455 2.430 20 70 CEIDHN Cc1cccc([C@@H]2CCCN2CCCN2CCOCC2)n1 ZINC000160137189 162323273 /nfs/dbraw/zinc/32/32/73/162323273.db2.gz CBAOJJZCAMVZOA-KRWDZBQOSA-N 0 3 289.423 2.249 20 70 CEIDHN CC(C)CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000160296050 165033560 /nfs/dbraw/zinc/03/35/60/165033560.db2.gz PQEHGXCNBRPZJI-HEHGZKQESA-N 0 3 282.428 2.071 20 70 CEIDHN C[C@@H](N[C@@H](C)C(=O)NC1CC1)c1ccccc1-n1cccn1 ZINC000160822094 278361772 /nfs/dbraw/zinc/36/17/72/278361772.db2.gz GXIIWIXVJSQKBG-OLZOCXBDSA-N 0 3 298.390 2.190 20 70 CEIDHN CC[C@@H](COC)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160771714 280153419 /nfs/dbraw/zinc/15/34/19/280153419.db2.gz LMBDTBMCXIIYPI-HOTGVXAUSA-N 0 3 290.407 2.365 20 70 CEIDHN CCOCCC1(C(=O)NC[C@@H]2CCCN2CC)CCC1 ZINC000160699111 528604815 /nfs/dbraw/zinc/60/48/15/528604815.db2.gz FBJJRBDKDIWXNR-AWEZNQCLSA-N 0 3 282.428 2.184 20 70 CEIDHN CCSCCN1CCC(C(=O)N(CC)CC)CC1 ZINC000159804968 344456335 /nfs/dbraw/zinc/45/63/35/344456335.db2.gz ZSRNAEODOAZZOT-UHFFFAOYSA-N 0 3 272.458 2.320 20 70 CEIDHN CCOCCCN1CCC(NC(=O)c2ccoc2C)CC1 ZINC000160389214 344459058 /nfs/dbraw/zinc/45/90/58/344459058.db2.gz BPZNPBQVYWUZOO-UHFFFAOYSA-N 0 3 294.395 2.209 20 70 CEIDHN CSC[C@@H](CCO)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000160283531 232250468 /nfs/dbraw/zinc/25/04/68/232250468.db2.gz SLVCDLNSZPPDTM-WCQYABFASA-N 0 3 297.420 2.222 20 70 CEIDHN Cc1ccccc1NC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000160053309 188453299 /nfs/dbraw/zinc/45/32/99/188453299.db2.gz CUPXMSYPFXIVAM-RVSPLBMKSA-N 0 3 288.391 2.466 20 70 CEIDHN CCCn1nccc1CNC[C@H]1Cc2ccccc2O1 ZINC000160106423 540112226 /nfs/dbraw/zinc/11/22/26/540112226.db2.gz SWAQWFOKWGRLLT-OAHLLOKOSA-N 0 3 271.364 2.386 20 70 CEIDHN CCN1CCC(NC(=O)c2c(C)[nH]nc2C(C)C)CC1 ZINC000159488596 540410767 /nfs/dbraw/zinc/41/07/67/540410767.db2.gz LOWUNIJVBIDDOY-UHFFFAOYSA-N 0 3 278.400 2.056 20 70 CEIDHN Cc1ccc(N2CC[C@@H](N(C)CC3CC3)C2=O)cc1 ZINC000159388831 366908364 /nfs/dbraw/zinc/90/83/64/366908364.db2.gz RTTZJAGLPXEUFF-OAHLLOKOSA-N 0 3 258.365 2.442 20 70 CEIDHN Cc1ccc(N2CC[C@H](N(C)CC3CC3)C2=O)cc1 ZINC000159388705 366909200 /nfs/dbraw/zinc/90/92/00/366909200.db2.gz RTTZJAGLPXEUFF-HNNXBMFYSA-N 0 3 258.365 2.442 20 70 CEIDHN O=C(Nc1cnn(-c2ccccc2F)c1)[C@H]1CCCCN1 ZINC000159480839 366918056 /nfs/dbraw/zinc/91/80/56/366918056.db2.gz QEBGGCBNFHLVHR-CYBMUJFWSA-N 0 3 288.326 2.092 20 70 CEIDHN CCc1oc(C(=O)NC[C@@H]2CCCN2CC)cc1C ZINC000159571706 366927132 /nfs/dbraw/zinc/92/71/32/366927132.db2.gz LDERLXKQEIHTQJ-LBPRGKRZSA-N 0 3 264.369 2.365 20 70 CEIDHN CC(C)C[C@H](C)NC(=O)NC[C@H]1CCCN(C)C1 ZINC000159798450 366950093 /nfs/dbraw/zinc/95/00/93/366950093.db2.gz QGZZLIUXUWTJIU-QWHCGFSZSA-N 0 3 255.406 2.062 20 70 CEIDHN CN(CCOC[C@H]1CCCO1)Cc1cccc(N(C)C)c1 ZINC000159871060 366956560 /nfs/dbraw/zinc/95/65/60/366956560.db2.gz NABMMYJTFFXSIS-QGZVFWFLSA-N 0 3 292.423 2.380 20 70 CEIDHN CC[C@H](NC(=O)N1CCCN(CC)CC1)c1ccncc1 ZINC000159898112 366957865 /nfs/dbraw/zinc/95/78/65/366957865.db2.gz MAWLCSJJUHIFTP-HNNXBMFYSA-N 0 3 290.411 2.270 20 70 CEIDHN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC1CCN(C)CC1 ZINC000159854673 366953358 /nfs/dbraw/zinc/95/33/58/366953358.db2.gz PIHXKICUNNEOEX-OLZOCXBDSA-N 0 3 278.421 2.370 20 70 CEIDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ccccc1F ZINC000160021985 366966933 /nfs/dbraw/zinc/96/69/33/366966933.db2.gz UNTKSHXBSFUGEO-ZXIHIIQKSA-N 0 3 292.354 2.297 20 70 CEIDHN Cc1cccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000160048914 366968142 /nfs/dbraw/zinc/96/81/42/366968142.db2.gz DVHRPHRXPZRVKD-JKIFEVAISA-N 0 3 288.391 2.466 20 70 CEIDHN COc1ccnc(N[C@H]2CN(Cc3ccccc3)C[C@H]2C)n1 ZINC000160216415 366984082 /nfs/dbraw/zinc/98/40/82/366984082.db2.gz JXDBSWSRZWXDMF-HIFRSBDPSA-N 0 3 298.390 2.418 20 70 CEIDHN CC[C@@H](C(=O)N(C)CCCc1ccc(OC)cc1)N(C)C ZINC000160284885 366990264 /nfs/dbraw/zinc/99/02/64/366990264.db2.gz FFDRAZQCVPXQFK-INIZCTEOSA-N 0 3 292.423 2.426 20 70 CEIDHN CS[C@H](C)CC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000160607126 367022333 /nfs/dbraw/zinc/02/23/33/367022333.db2.gz OEJGGZPSBMYPFR-HIFRSBDPSA-N 0 3 294.464 2.417 20 70 CEIDHN CCCNC(=O)c1cccc(CN[C@@H](CC)COC)c1 ZINC000160635000 367024003 /nfs/dbraw/zinc/02/40/03/367024003.db2.gz PGPDIYIBEWQQDU-HNNXBMFYSA-N 0 3 278.396 2.341 20 70 CEIDHN CC[C@H](c1ccccc1)S(=O)(=O)C(C)C(=O)N(C)C ZINC000160546013 367015777 /nfs/dbraw/zinc/01/57/77/367015777.db2.gz SKMAMQYOOIZARU-DGCLKSJQSA-N 0 3 283.393 2.029 20 70 CEIDHN COc1cccc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)n1 ZINC000160808722 367035905 /nfs/dbraw/zinc/03/59/05/367035905.db2.gz VWMPWRHCTGERQV-CJNGLKHVSA-N 0 3 276.380 2.217 20 70 CEIDHN CCC[C@@H](N)C(=O)N1CC[C@@H](c2ccccc2OC)C1 ZINC000161440062 367086517 /nfs/dbraw/zinc/08/65/17/367086517.db2.gz KLAWNBIDYMNGTH-TZMCWYRMSA-N 0 3 276.380 2.139 20 70 CEIDHN CCN(CC)CC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000160729282 284578726 /nfs/dbraw/zinc/57/87/26/284578726.db2.gz NCSSVSKAMSBXSP-AWEZNQCLSA-N 0 3 282.428 2.326 20 70 CEIDHN CCN1CCCN(C(=O)N[C@@H]2CCCC2(C)C)CC1 ZINC000159954176 285211858 /nfs/dbraw/zinc/21/18/58/285211858.db2.gz HJMYMTCTVRITBO-CYBMUJFWSA-N 0 3 267.417 2.302 20 70 CEIDHN CC[C@H](N)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159810296 395059545 /nfs/dbraw/zinc/05/95/45/395059545.db2.gz DSPNUWXUFAEGIJ-YPMHNXCESA-N 0 3 266.772 2.393 20 70 CEIDHN CC(C)CC[C@H](C)NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160178125 395060323 /nfs/dbraw/zinc/06/03/23/395060323.db2.gz ZYPQYPGFMXPIDM-QDEZUTFSSA-N 0 3 296.455 2.460 20 70 CEIDHN C[C@H](N)C(=O)N[C@H](COc1ccccc1F)C(C)(C)C ZINC000159772658 162313047 /nfs/dbraw/zinc/31/30/47/162313047.db2.gz YIAHBILBEHKJCI-GXFFZTMASA-N 0 3 282.359 2.083 20 70 CEIDHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cc(-c2ccccc2)n[nH]1 ZINC000159707303 162313638 /nfs/dbraw/zinc/31/36/38/162313638.db2.gz AABYPEOIWOQRQW-OCCSQVGLSA-N 0 3 298.390 2.163 20 70 CEIDHN COC(=O)c1occc1CN[C@H]1CCOC(C)(C)C1 ZINC000159944525 162319584 /nfs/dbraw/zinc/31/95/84/162319584.db2.gz HLDYRKLFABVJKB-NSHDSACASA-N 0 3 267.325 2.113 20 70 CEIDHN COc1ccc(OC)c([C@@H](C)N[C@@H](CCO)CSC)c1 ZINC000160177368 162324822 /nfs/dbraw/zinc/32/48/22/162324822.db2.gz PVSUFDCBJJHHRZ-NEPJUHHUSA-N 0 3 299.436 2.468 20 70 CEIDHN CC[C@H](N)C(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC000160125830 261205800 /nfs/dbraw/zinc/20/58/00/261205800.db2.gz DEBDZRMWCVRWRW-HOTGVXAUSA-N 0 3 290.407 2.324 20 70 CEIDHN Cc1c(CNCc2ccc(-n3cccn3)cc2)cnn1C ZINC000160125685 280095481 /nfs/dbraw/zinc/09/54/81/280095481.db2.gz HWOAEJAYWJSVNK-UHFFFAOYSA-N 0 3 281.363 2.204 20 70 CEIDHN CN(C)Cc1ccc(C(=O)NCC2(CO)CCCC2)cc1 ZINC000160273626 280095860 /nfs/dbraw/zinc/09/58/60/280095860.db2.gz SWBOMQFBWYTYCB-UHFFFAOYSA-N 0 3 290.407 2.031 20 70 CEIDHN CCCN1CCCN(C(=O)Cc2csc(CC)n2)CC1 ZINC000160367661 519849087 /nfs/dbraw/zinc/84/90/87/519849087.db2.gz YVGYXQXCMSBDTO-UHFFFAOYSA-N 0 3 295.452 2.192 20 70 CEIDHN CC(C)N(CCN(C)C)C(=O)N[C@@H]1C=CCCC1 ZINC000159607756 528897018 /nfs/dbraw/zinc/89/70/18/528897018.db2.gz VWWWXRYLUPXLIC-CYBMUJFWSA-N 0 3 253.390 2.077 20 70 CEIDHN Cc1ncc([C@H](C)NC[C@H]2CCCC[C@@H]2O)c(C)n1 ZINC000160521115 282165500 /nfs/dbraw/zinc/16/55/00/282165500.db2.gz YWKXKEMBKQBYKS-ZBINZKHDSA-N 0 3 263.385 2.295 20 70 CEIDHN C[C@H](Cc1ccccc1F)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000159513224 344455151 /nfs/dbraw/zinc/45/51/51/344455151.db2.gz LVLIQGJOPMIOKC-KGLIPLIRSA-N 0 3 292.398 2.462 20 70 CEIDHN C[C@H](C(=O)NC[C@H]1CCCN1C)c1ccsc1 ZINC000160136849 344457712 /nfs/dbraw/zinc/45/77/12/344457712.db2.gz QAMLWDLRSIWDFX-CMPLNLGQSA-N 0 3 252.383 2.062 20 70 CEIDHN CN(C(=O)N[C@H]1CCN(CC2CC2)C1)C1CCCCC1 ZINC000160769551 344461170 /nfs/dbraw/zinc/46/11/70/344461170.db2.gz KRJAMSAVGPYEHI-AWEZNQCLSA-N 0 3 279.428 2.445 20 70 CEIDHN NC1(C(=O)Nc2ccc3c(c2)NC(=O)CC3)CCCCC1 ZINC000160422337 188471714 /nfs/dbraw/zinc/47/17/14/188471714.db2.gz LJPMXUJGRKKYBJ-UHFFFAOYSA-N 0 3 287.363 2.171 20 70 CEIDHN CCC[C@@H](N)C(=O)N1CC[C@H](c2ccccc2OC)C1 ZINC000161439805 188527009 /nfs/dbraw/zinc/52/70/09/188527009.db2.gz KLAWNBIDYMNGTH-GXTWGEPZSA-N 0 3 276.380 2.139 20 70 CEIDHN CCCn1nccc1CN[C@@H](CC(C)C)CN(C)C ZINC000160087472 540111671 /nfs/dbraw/zinc/11/16/71/540111671.db2.gz BGHORKLJYZOOQJ-AWEZNQCLSA-N 0 3 266.433 2.359 20 70 CEIDHN CCCn1nccc1CNCCN1CCC(C)CC1 ZINC000160114759 540112346 /nfs/dbraw/zinc/11/23/46/540112346.db2.gz GUCZVULNTDOTTG-UHFFFAOYSA-N 0 3 264.417 2.115 20 70 CEIDHN CCCCOCCCNC(=O)c1cccc2c1CCNC2 ZINC000160307882 540114975 /nfs/dbraw/zinc/11/49/75/540114975.db2.gz QHDJQWVFVXWSLA-UHFFFAOYSA-N 0 3 290.407 2.269 20 70 CEIDHN CN(C[C@@H]1COc2ccccc2O1)[C@@H]1CCCC[C@@H]1O ZINC000161081323 540132371 /nfs/dbraw/zinc/13/23/71/540132371.db2.gz AYHAVFFHVZLZON-MCIONIFRSA-N 0 3 277.364 2.062 20 70 CEIDHN C[C@H](CC(=O)NC[C@H](C)N(C)C1CC1)c1ccncc1 ZINC000159916996 540439629 /nfs/dbraw/zinc/43/96/29/540439629.db2.gz RWGUBSDWRBJXLM-OLZOCXBDSA-N 0 3 275.396 2.174 20 70 CEIDHN CC[C@](C)(O)CN[C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000159431562 366911397 /nfs/dbraw/zinc/91/13/97/366911397.db2.gz WUVLCXCOCYDSLF-DOMZBBRYSA-N 0 3 299.436 2.292 20 70 CEIDHN Cc1nc(Cl)ccc1C(=O)N1CC[C@@H]2CC[C@H](C1)N2C ZINC000159448142 366914955 /nfs/dbraw/zinc/91/49/55/366914955.db2.gz TXRJTWUTLMWFRJ-NWDGAFQWSA-N 0 3 293.798 2.352 20 70 CEIDHN CN(Cc1ccc(Cl)nc1)C[C@H]1CCC[C@@H]1O ZINC000159482738 366918366 /nfs/dbraw/zinc/91/83/66/366918366.db2.gz KINZUDVEYBKJSC-NEPJUHHUSA-N 0 3 254.761 2.328 20 70 CEIDHN FC(F)n1ccnc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159576802 366928769 /nfs/dbraw/zinc/92/87/69/366928769.db2.gz SJFSGENHYPNUQE-JLLWLGSASA-N 0 3 283.322 2.325 20 70 CEIDHN CC[C@@H]1CCCCN1C(=O)[C@H](C)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159653161 366935941 /nfs/dbraw/zinc/93/59/41/366935941.db2.gz BZHVHEONPGQVQA-JONQDZQNSA-N 0 3 296.455 2.259 20 70 CEIDHN CCOC(=O)CCN(CCc1nccs1)C(C)C ZINC000159801529 366949635 /nfs/dbraw/zinc/94/96/35/366949635.db2.gz KBPRTZVOKDQSSI-UHFFFAOYSA-N 0 3 270.398 2.349 20 70 CEIDHN OCC1(CNCc2cnc3ccccc3n2)CCCC1 ZINC000160119920 366975014 /nfs/dbraw/zinc/97/50/14/366975014.db2.gz MECMNSRPIHTHIN-UHFFFAOYSA-N 0 3 271.364 2.272 20 70 CEIDHN CCNC(=O)c1cccc(CN[C@@H](COC)C(C)C)c1 ZINC000160194079 366980948 /nfs/dbraw/zinc/98/09/48/366980948.db2.gz BTXAXRIUOWCXQJ-HNNXBMFYSA-N 0 3 278.396 2.197 20 70 CEIDHN C[C@@H](CNC(=O)NC1(C)CCC1)N1CCC(C)CC1 ZINC000160213961 366984006 /nfs/dbraw/zinc/98/40/06/366984006.db2.gz SUDDZXKQURRUFS-ZDUSSCGKSA-N 0 3 267.417 2.349 20 70 CEIDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1cccs1)CC2 ZINC000160368981 366999925 /nfs/dbraw/zinc/99/99/25/366999925.db2.gz JHKCXZPJBASKNC-MWLCHTKSSA-N 0 3 262.382 2.314 20 70 CEIDHN Cc1cccc2[nH]c(CNC(=O)[C@H](C(C)C)N(C)C)nc21 ZINC000160445100 367006354 /nfs/dbraw/zinc/00/63/54/367006354.db2.gz AKHPGJKWUDRYOM-HNNXBMFYSA-N 0 3 288.395 2.074 20 70 CEIDHN Cc1cccc2nc(CNC(=O)[C@H](C(C)C)N(C)C)[nH]c21 ZINC000160445100 367006360 /nfs/dbraw/zinc/00/63/60/367006360.db2.gz AKHPGJKWUDRYOM-HNNXBMFYSA-N 0 3 288.395 2.074 20 70 CEIDHN COc1ccc(CCN(CC(C)(C)C)C(=O)[C@H](C)N)cc1 ZINC000160879627 367039791 /nfs/dbraw/zinc/03/97/91/367039791.db2.gz KJQMKVWVQRJUJX-ZDUSSCGKSA-N 0 3 292.423 2.460 20 70 CEIDHN CC(C)[C@H](N)C(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000160972594 367046447 /nfs/dbraw/zinc/04/64/47/367046447.db2.gz IEEHCFJZLWXWGA-GJZGRUSLSA-N 0 3 292.423 2.117 20 70 CEIDHN C[C@@H](N)C(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000161046162 367052132 /nfs/dbraw/zinc/05/21/32/367052132.db2.gz IERQDIZGOLEQPV-GIPNMCIBSA-N 0 3 250.317 2.082 20 70 CEIDHN COc1ccc(NC(=O)[C@@H](C)N2CCCCCC2)cc1N ZINC000161074890 367053394 /nfs/dbraw/zinc/05/33/94/367053394.db2.gz WNQOMZSFAKBWGE-GFCCVEGCSA-N 0 3 291.395 2.480 20 70 CEIDHN CC[C@H](C(=O)N[C@@H](C)Cc1ccccc1F)N(C)C ZINC000161128614 367059087 /nfs/dbraw/zinc/05/90/87/367059087.db2.gz HVPNNDOJIWGBKY-SMDDNHRTSA-N 0 3 266.360 2.213 20 70 CEIDHN CCO[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2)C12CCCCC2 ZINC000161178766 367065103 /nfs/dbraw/zinc/06/51/03/367065103.db2.gz QUVITEUWDLJNCO-KKUMJFAQSA-N 0 3 294.439 2.373 20 70 CEIDHN CCCOc1cccc(CC(=O)NC2CCN(C)CC2)c1 ZINC000160691561 367028805 /nfs/dbraw/zinc/02/88/05/367028805.db2.gz RGUYRNNVDKNDOJ-UHFFFAOYSA-N 0 3 290.407 2.228 20 70 CEIDHN CCc1ccccc1C(=O)NC[C@@H]1CCCN1CC ZINC000160700390 367028920 /nfs/dbraw/zinc/02/89/20/367028920.db2.gz ZULQKUPQNBUQPG-AWEZNQCLSA-N 0 3 260.381 2.463 20 70 CEIDHN COc1ccc(CNC[C@H](C)N(C)C2CC2)c(F)c1 ZINC000218606646 370211553 /nfs/dbraw/zinc/21/15/53/370211553.db2.gz GWEWCMVJQXPNFH-NSHDSACASA-N 0 3 266.360 2.407 20 70 CEIDHN CSC[C@](C)(O)CNCc1cnn(-c2ccccc2)c1 ZINC000217851520 370201257 /nfs/dbraw/zinc/20/12/57/370201257.db2.gz SKTJEDWXENQLBX-OAHLLOKOSA-N 0 3 291.420 2.076 20 70 CEIDHN CCCCCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000160191638 162326115 /nfs/dbraw/zinc/32/61/15/162326115.db2.gz QZWVCXDLZVWGFQ-HEHGZKQESA-N 0 3 282.428 2.215 20 70 CEIDHN Cc1cccc([C@@H](C)NC[C@H](O)COCC2CC2)c1 ZINC000160219332 162326332 /nfs/dbraw/zinc/32/63/32/162326332.db2.gz YWUFRVLIGQUHIZ-CJNGLKHVSA-N 0 3 263.381 2.433 20 70 CEIDHN COc1ccc([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160520996 277932495 /nfs/dbraw/zinc/93/24/95/277932495.db2.gz KBHNVRJZZMECLD-SMDDNHRTSA-N 0 3 286.379 2.261 20 70 CEIDHN COc1ccccc1[C@@H]1CCN(C(=O)[C@H](N)CC(C)C)C1 ZINC000160375214 278060013 /nfs/dbraw/zinc/06/00/13/278060013.db2.gz UZMATKONBXHUOF-UKRRQHHQSA-N 0 3 290.407 2.385 20 70 CEIDHN Cc1ccc([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)o1 ZINC000160549181 280942478 /nfs/dbraw/zinc/94/24/78/280942478.db2.gz DQIYMHDLHYKGRK-PWSUYJOCSA-N 0 3 260.341 2.154 20 70 CEIDHN Cc1noc(Cl)c1CC(=O)N[C@H](C)CN1CCCCC1 ZINC000160108033 297432984 /nfs/dbraw/zinc/43/29/84/297432984.db2.gz DQCKIABSWLKNRY-SNVBAGLBSA-N 0 3 299.802 2.170 20 70 CEIDHN CC[C@H](N)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000160307717 297434785 /nfs/dbraw/zinc/43/47/85/297434785.db2.gz WATMJOBURLBCDU-JTQLQIEISA-N 0 3 260.259 2.467 20 70 CEIDHN CCCN1CCCN(C(=O)c2ccc(OC)cc2F)CC1 ZINC000160386306 519851200 /nfs/dbraw/zinc/85/12/00/519851200.db2.gz LSBRHIMSMMMQEI-UHFFFAOYSA-N 0 3 294.370 2.392 20 70 CEIDHN COC(=O)c1ccc(CN2CC[C@H](C(C)C)C2)nc1 ZINC000160596190 522014894 /nfs/dbraw/zinc/01/48/94/522014894.db2.gz MNWBSAROZZOMGI-ZDUSSCGKSA-N 0 3 262.353 2.346 20 70 CEIDHN CC[C@H](C(=O)NC[C@H]1CCN(C)c2ccccc21)N(C)C ZINC000159667787 523782607 /nfs/dbraw/zinc/78/26/07/523782607.db2.gz BETQVTNZYGAHHV-UKRRQHHQSA-N 0 3 289.423 2.067 20 70 CEIDHN CC(C)[C@H](C(=O)NCCCOc1ccccc1)N(C)C ZINC000160120317 528917997 /nfs/dbraw/zinc/91/79/97/528917997.db2.gz KZTAIYABLKADJV-OAHLLOKOSA-N 0 3 278.396 2.158 20 70 CEIDHN C[C@@H](Cc1ccccc1F)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000159513091 344454869 /nfs/dbraw/zinc/45/48/69/344454869.db2.gz LVLIQGJOPMIOKC-KBPBESRZSA-N 0 3 292.398 2.462 20 70 CEIDHN C[C@H](C(=O)N[C@H]1CCN(CC2CC2)C1)c1cccs1 ZINC000159495734 344455130 /nfs/dbraw/zinc/45/51/30/344455130.db2.gz SLMSVFPIGYACHE-AAEUAGOBSA-N 0 3 278.421 2.452 20 70 CEIDHN CC(C)n1cc([C@H](C)NCCCN2CCCC2=O)cn1 ZINC000159569645 188431828 /nfs/dbraw/zinc/43/18/28/188431828.db2.gz GEKOOXZPSRJEGD-ZDUSSCGKSA-N 0 3 278.400 2.127 20 70 CEIDHN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)C2(N)CC2)cc1 ZINC000159529354 366922702 /nfs/dbraw/zinc/92/27/02/366922702.db2.gz UNVXYUNZDXCANW-LSDHHAIUSA-N 0 3 288.391 2.070 20 70 CEIDHN CC[C@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000159618065 366932930 /nfs/dbraw/zinc/93/29/30/366932930.db2.gz GKVKGDVWBXCDSU-SWLSCSKDSA-N 0 3 258.365 2.132 20 70 CEIDHN C[C@H](C1CC1)N(C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000159650813 366935550 /nfs/dbraw/zinc/93/55/50/366935550.db2.gz YQAJEORUMKDAOD-LLVKDONJSA-N 0 3 292.427 2.386 20 70 CEIDHN CN(CCNC(=O)NC1(C)CCC1)Cc1ccccc1 ZINC000159904574 366958052 /nfs/dbraw/zinc/95/80/52/366958052.db2.gz JYVKEWLSEPHLMW-UHFFFAOYSA-N 0 3 275.396 2.360 20 70 CEIDHN C[C@@H]1C[C@@H](NC(=O)N(C)C2CC2)CN1Cc1ccccc1 ZINC000159962272 366962473 /nfs/dbraw/zinc/96/24/73/366962473.db2.gz BDNFINFDALDPFV-UKRRQHHQSA-N 0 3 287.407 2.453 20 70 CEIDHN Cn1c(CNCC2(CO)CCCC2)nc2ccccc21 ZINC000160111178 366974736 /nfs/dbraw/zinc/97/47/36/366974736.db2.gz OAKGIPIUAOSUEC-UHFFFAOYSA-N 0 3 273.380 2.216 20 70 CEIDHN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N[C@@H](CCN(C)C)C(C)(C)C ZINC000160333396 366997066 /nfs/dbraw/zinc/99/70/66/366997066.db2.gz FMQDCFIBNLWYDF-SNPRPXQTSA-N 0 3 296.455 2.474 20 70 CEIDHN CN1C(=O)C[C@H](NCC2(CO)CCCC2)c2ccccc21 ZINC000160064600 366970642 /nfs/dbraw/zinc/97/06/42/366970642.db2.gz XNXYCMQCFVVDLQ-AWEZNQCLSA-N 0 3 288.391 2.237 20 70 CEIDHN CS[C@@H](C)CC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000160607259 367022654 /nfs/dbraw/zinc/02/26/54/367022654.db2.gz OEJGGZPSBMYPFR-DZGCQCFKSA-N 0 3 294.464 2.417 20 70 CEIDHN CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)c1c(C)noc1C ZINC000160413837 367003630 /nfs/dbraw/zinc/00/36/30/367003630.db2.gz LIBIKWOALPRIJB-TZMCWYRMSA-N 0 3 281.400 2.445 20 70 CEIDHN CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)c1c(C)noc1C ZINC000160413955 367004059 /nfs/dbraw/zinc/00/40/59/367004059.db2.gz LIBIKWOALPRIJB-JSGCOSHPSA-N 0 3 281.400 2.445 20 70 CEIDHN CCOc1cc(N2CCC[C@@H]2CN2CCCCC2)ncn1 ZINC000160427830 367005577 /nfs/dbraw/zinc/00/55/77/367005577.db2.gz VPIYYAOEQNRYBO-CQSZACIVSA-N 0 3 290.411 2.330 20 70 CEIDHN CC(C)[C@H](N)C(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000160972869 367047033 /nfs/dbraw/zinc/04/70/33/367047033.db2.gz IEEHCFJZLWXWGA-CABCVRRESA-N 0 3 292.423 2.117 20 70 CEIDHN CC[C@@H](C(=O)N[C@H](C)COc1cccc(C)c1)N(C)C ZINC000161109289 367058253 /nfs/dbraw/zinc/05/82/53/367058253.db2.gz WZVIXNMYFSUPDW-HIFRSBDPSA-N 0 3 278.396 2.219 20 70 CEIDHN CC[C@@H](NC[C@@H](CO)c1ccccc1)c1cnn(C)c1 ZINC000161416515 367085314 /nfs/dbraw/zinc/08/53/14/367085314.db2.gz LVSNZRRHCWWENS-JKSUJKDBSA-N 0 3 273.380 2.237 20 70 CEIDHN C[C@H](N)C(=O)N1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000161182363 395063485 /nfs/dbraw/zinc/06/34/85/395063485.db2.gz WDFLAGBGGBCVFL-LOWVWBTDSA-N 0 3 264.394 2.039 20 70 CEIDHN CC(C)[C@H](N)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000161397293 395064295 /nfs/dbraw/zinc/06/42/95/395064295.db2.gz DDBYELDTSRODCD-JSGCOSHPSA-N 0 3 276.380 2.388 20 70 CEIDHN CC[C@@H]1CO[C@H](C)CN1C(=O)C[C@@H](N)c1ccccc1 ZINC000218365179 400308326 /nfs/dbraw/zinc/30/83/26/400308326.db2.gz ISYRXYHCZPIEHZ-BPLDGKMQSA-N 0 3 276.380 2.102 20 70 CEIDHN CSCCCCC(=O)NCCN1CCC[C@@H](C)C1 ZINC000159904326 162318691 /nfs/dbraw/zinc/31/86/91/162318691.db2.gz DNGPDKPNNSXKLX-CYBMUJFWSA-N 0 3 272.458 2.368 20 70 CEIDHN COc1c(CNC[C@H]2C[C@@H]3C=C[C@H]2C3)c(C)nn1C ZINC000160118499 162322703 /nfs/dbraw/zinc/32/27/03/162322703.db2.gz MPPFGCFSWUVSLZ-FRRDWIJNSA-N 0 3 261.369 2.039 20 70 CEIDHN Cc1ccccc1OCCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC000160109451 162323241 /nfs/dbraw/zinc/32/32/41/162323241.db2.gz HKIYHYXSRDMPKK-MRXNPFEDSA-N 0 3 292.423 2.418 20 70 CEIDHN COc1ccc(OC)c([C@H](C)N[C@H](CCO)CSC)c1 ZINC000160177462 162326360 /nfs/dbraw/zinc/32/63/60/162326360.db2.gz PVSUFDCBJJHHRZ-NWDGAFQWSA-N 0 3 299.436 2.468 20 70 CEIDHN CCN1CCCN(C(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000159678031 276162039 /nfs/dbraw/zinc/16/20/39/276162039.db2.gz FIRGHRQMHRXNKF-UONOGXRCSA-N 0 3 267.417 2.302 20 70 CEIDHN Cc1cccc([C@H]2CCCN2CC[C@@H]2CCOC2=O)n1 ZINC000160145432 281256371 /nfs/dbraw/zinc/25/63/71/281256371.db2.gz ULKQGNZOPHNSMK-UKRRQHHQSA-N 0 3 274.364 2.480 20 70 CEIDHN CC(C)NC(=O)CN[C@H](C)c1cc2c(s1)CCC2 ZINC000160960179 519708871 /nfs/dbraw/zinc/70/88/71/519708871.db2.gz MNFYDJLPCZFDKP-SNVBAGLBSA-N 0 3 266.410 2.412 20 70 CEIDHN CCCN(CCO)Cc1c[nH]nc1-c1cccs1 ZINC000161208303 521667600 /nfs/dbraw/zinc/66/76/00/521667600.db2.gz BGFONRZXCVTFQV-UHFFFAOYSA-N 0 3 265.382 2.343 20 70 CEIDHN CC[C@@H](NCC(=O)NC(C)C)c1cccc(OC)c1 ZINC000160923438 522816779 /nfs/dbraw/zinc/81/67/79/522816779.db2.gz XARPZTMMGKYNNT-CQSZACIVSA-N 0 3 264.369 2.261 20 70 CEIDHN CC[C@H](C)C[C@H](C)NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160610873 523901852 /nfs/dbraw/zinc/90/18/52/523901852.db2.gz YFKRGDWIKUETGR-JEJJNBGPSA-N 0 3 296.455 2.460 20 70 CEIDHN C[C@@H](C(=O)N(C)Cc1cccn1C)N1CCCCCC1 ZINC000160401055 524086298 /nfs/dbraw/zinc/08/62/98/524086298.db2.gz PUBKXMOYZJXEHB-AWEZNQCLSA-N 0 3 277.412 2.248 20 70 CEIDHN Cc1nccn1CCCCN1CCOC(C)(C)C1 ZINC000161403006 527394427 /nfs/dbraw/zinc/39/44/27/527394427.db2.gz MOGCLMYXPSZKSL-UHFFFAOYSA-N 0 3 251.374 2.083 20 70 CEIDHN OCCN(CCc1ccccc1)Cc1cnc2ccccn12 ZINC000160381353 539278791 /nfs/dbraw/zinc/27/87/91/539278791.db2.gz LQZAZNZUYUFJRH-UHFFFAOYSA-N 0 3 295.386 2.371 20 70 CEIDHN CN(C)C[C@H]1CCCCN1C(=O)c1cccc2nc[nH]c21 ZINC000159402417 344454594 /nfs/dbraw/zinc/45/45/94/344454594.db2.gz SCKFKNIIDRQFAG-GFCCVEGCSA-N 0 3 286.379 2.119 20 70 CEIDHN C[C@@H](C(=O)NC[C@H]1CCCN(C)C1)c1ccsc1 ZINC000159516908 344454922 /nfs/dbraw/zinc/45/49/22/344454922.db2.gz VEETXBAZOSTRQT-VXGBXAGGSA-N 0 3 266.410 2.310 20 70 CEIDHN CC(C)[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000159723032 366943304 /nfs/dbraw/zinc/94/33/04/366943304.db2.gz KDZGNNJRSBJNQY-KFWWJZLASA-N 0 3 260.381 2.422 20 70 CEIDHN CC(C)CC[C@](C)(O)CN[C@@H](C)c1cnccn1 ZINC000159374999 366907777 /nfs/dbraw/zinc/90/77/77/366907777.db2.gz LRXQGTFJFUUWBM-JSGCOSHPSA-N 0 3 251.374 2.314 20 70 CEIDHN CCC[C@@H](N)C(=O)NCCc1c[nH]c2c1cccc2C ZINC000159560328 366927353 /nfs/dbraw/zinc/92/73/53/366927353.db2.gz FJRPSCUIQPKWEN-CQSZACIVSA-N 0 3 273.380 2.262 20 70 CEIDHN CN1CCC[C@H](CNC(=O)NCC2(C3CC3)CCC2)C1 ZINC000159800359 366949939 /nfs/dbraw/zinc/94/99/39/366949939.db2.gz XPCFSTGULRLSAB-CYBMUJFWSA-N 0 3 279.428 2.208 20 70 CEIDHN CC(C)(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000159822854 366950717 /nfs/dbraw/zinc/95/07/17/366950717.db2.gz SJHJCUZABKZNCC-LSDHHAIUSA-N 0 3 274.408 2.497 20 70 CEIDHN C[C@@H](CNC(=O)NCC1(C2CC2)CCC1)N(C)C1CC1 ZINC000159862098 366954626 /nfs/dbraw/zinc/95/46/26/366954626.db2.gz OBESVQQNIRCMHP-LBPRGKRZSA-N 0 3 279.428 2.349 20 70 CEIDHN CN(C)[C@H]1CCCN(C(=O)N2CCCCCC2)C1 ZINC000160650769 367024532 /nfs/dbraw/zinc/02/45/32/367024532.db2.gz QPLCTMKGSBNPEX-ZDUSSCGKSA-N 0 3 253.390 2.008 20 70 CEIDHN CCOCCCNCc1cncc(Br)c1 ZINC000160559402 367017155 /nfs/dbraw/zinc/01/71/55/367017155.db2.gz DYOXVMHHROBOHG-UHFFFAOYSA-N 0 3 273.174 2.360 20 70 CEIDHN Cc1ccnc(-c2ccc(NC(=O)[C@H](N)C(C)C)cc2)n1 ZINC000160878797 367039876 /nfs/dbraw/zinc/03/98/76/367039876.db2.gz ZQMZDACOWSSGLV-CQSZACIVSA-N 0 3 284.363 2.374 20 70 CEIDHN CC(C)c1ccc(C(=O)NC2CCN(C)CC2)cn1 ZINC000161075882 367053491 /nfs/dbraw/zinc/05/34/91/367053491.db2.gz IXCVTEGSGVMNBG-UHFFFAOYSA-N 0 3 261.369 2.029 20 70 CEIDHN CC(C)CCn1ccc(NC(=O)N2CC[C@@H](N(C)C)C2)n1 ZINC000161307338 367076398 /nfs/dbraw/zinc/07/63/98/367076398.db2.gz MSYPYSUKAQNHHO-CYBMUJFWSA-N 0 3 293.415 2.097 20 70 CEIDHN CSC[C@@](C)(O)CNCc1cnn(-c2ccccc2)c1 ZINC000217851446 370201057 /nfs/dbraw/zinc/20/10/57/370201057.db2.gz SKTJEDWXENQLBX-HNNXBMFYSA-N 0 3 291.420 2.076 20 70 CEIDHN Cn1ccc(CNC2CCN(c3ccccc3)CC2)n1 ZINC000218127592 370204960 /nfs/dbraw/zinc/20/49/60/370204960.db2.gz YWVTYFTWXUMVCK-UHFFFAOYSA-N 0 3 270.380 2.179 20 70 CEIDHN CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)[C@@H]1CCCCN1 ZINC000161174846 249319684 /nfs/dbraw/zinc/31/96/84/249319684.db2.gz AVEUVRVTGAYAPO-RDBSUJKOSA-N 0 3 282.428 2.086 20 70 CEIDHN CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)C(C)(C)C)C1(C)C ZINC000160502471 286324470 /nfs/dbraw/zinc/32/44/70/286324470.db2.gz LHBAFIYJLFWEOT-QJPTWQEYSA-N 0 3 270.417 2.022 20 70 CEIDHN CCS[C@@H]1CCCCN(C(=O)[C@@H](N)CCSC)C1 ZINC000159767389 276395798 /nfs/dbraw/zinc/39/57/98/276395798.db2.gz BAOGIZUBUVXOOR-NEPJUHHUSA-N 0 3 290.498 2.201 20 70 CEIDHN CN1CCN(C[C@@H](O)C(C)(C)C)[C@H](c2ccccc2)C1 ZINC000216891387 290044647 /nfs/dbraw/zinc/04/46/47/290044647.db2.gz GTGNNHCMACTSGY-JKSUJKDBSA-N 0 3 276.424 2.382 20 70 CEIDHN CN(C)Cc1ccc(C(=O)N2CCCSCC2)cc1 ZINC000160351759 297435897 /nfs/dbraw/zinc/43/58/97/297435897.db2.gz HQOHSATUOZJHOY-UHFFFAOYSA-N 0 3 278.421 2.327 20 70 CEIDHN CCOC[C@@H](C)NCc1cncc(Br)c1 ZINC000160569307 520075809 /nfs/dbraw/zinc/07/58/09/520075809.db2.gz NOHNXILYAUHSDA-SECBINFHSA-N 0 3 273.174 2.359 20 70 CEIDHN CCOCCC1(CNC(=O)[C@@H](C(C)C)N(C)C)CCC1 ZINC000160422823 521688112 /nfs/dbraw/zinc/68/81/12/521688112.db2.gz BIRRNAOQLXFLMC-CQSZACIVSA-N 0 3 284.444 2.286 20 70 CEIDHN CC[C@H](NC[C@@H]1CC[C@H](C(N)=O)O1)c1ccc(F)cc1F ZINC000160783384 522619461 /nfs/dbraw/zinc/61/94/61/522619461.db2.gz KGLNMYJTJGQGJF-LEWSCRJBSA-N 0 3 298.333 2.038 20 70 CEIDHN CCn1cc([C@H](C)NC[C@@H]2CCCCN2CC)cn1 ZINC000161189595 523472179 /nfs/dbraw/zinc/47/21/79/523472179.db2.gz RIMQPLSKJSXPKP-ZFWWWQNUSA-N 0 3 264.417 2.428 20 70 CEIDHN C[C@@H](C(=O)N[C@@H]1CCN(CC2CC2)C1)c1cccs1 ZINC000159495606 344455018 /nfs/dbraw/zinc/45/50/18/344455018.db2.gz SLMSVFPIGYACHE-DGCLKSJQSA-N 0 3 278.421 2.452 20 70 CEIDHN CCN(C(=O)N[C@H]1CCN(CC2CC2)C1)C1CCCC1 ZINC000160657500 344460677 /nfs/dbraw/zinc/46/06/77/344460677.db2.gz RESALKZPDKJNEL-AWEZNQCLSA-N 0 3 279.428 2.445 20 70 CEIDHN CCN(CCNCc1nn(C)c2ccccc12)C1CC1 ZINC000218181243 344536277 /nfs/dbraw/zinc/53/62/77/344536277.db2.gz NTVOFLHPPKWFGT-UHFFFAOYSA-N 0 3 272.396 2.147 20 70 CEIDHN COc1ccccc1C[C@@H](NCC(=O)NC(C)C)C(C)C ZINC000160995669 188501460 /nfs/dbraw/zinc/50/14/60/188501460.db2.gz JBQJOLTVGDJLMD-OAHLLOKOSA-N 0 3 292.423 2.377 20 70 CEIDHN CCCn1nccc1CNC[C@@H](c1ccco1)N(C)C ZINC000159975641 540109123 /nfs/dbraw/zinc/10/91/23/540109123.db2.gz YGWYUFPDNPYWJE-AWEZNQCLSA-N 0 3 276.384 2.279 20 70 CEIDHN CC[C@@H](C(=O)NC1CCC(OC(C)C)CC1)N(C)C ZINC000159572342 540416325 /nfs/dbraw/zinc/41/63/25/540416325.db2.gz KUSPHTFFEVYRHE-RUXDESIVSA-N 0 3 270.417 2.179 20 70 CEIDHN CN(CCCOc1ccccc1)CCn1ccnc1 ZINC000159716583 366941375 /nfs/dbraw/zinc/94/13/75/366941375.db2.gz DNQNLMOTFSOPPY-UHFFFAOYSA-N 0 3 259.353 2.284 20 70 CEIDHN CC(C)CC[C@@](C)(O)CN[C@H](C)c1cnccn1 ZINC000159375419 366907635 /nfs/dbraw/zinc/90/76/35/366907635.db2.gz LRXQGTFJFUUWBM-TZMCWYRMSA-N 0 3 251.374 2.314 20 70 CEIDHN C[C@H](CO)N(C)Cc1cccc(Br)c1 ZINC000159459068 366916949 /nfs/dbraw/zinc/91/69/49/366916949.db2.gz JOSMNRDKVRXXRV-SECBINFHSA-N 0 3 258.159 2.262 20 70 CEIDHN CCN(CC)CC(=O)NCCc1cc2ccccc2[nH]1 ZINC000159573755 366926945 /nfs/dbraw/zinc/92/69/45/366926945.db2.gz KHABZGMUVJNQHP-UHFFFAOYSA-N 0 3 273.380 2.168 20 70 CEIDHN CC[C@@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000159618190 366932777 /nfs/dbraw/zinc/93/27/77/366932777.db2.gz GKVKGDVWBXCDSU-DOMZBBRYSA-N 0 3 258.365 2.132 20 70 CEIDHN C[C@H]1C[C@@H](NC(=O)NCC2(C3CC3)CCC2)CN1C1CC1 ZINC000159999307 366964382 /nfs/dbraw/zinc/96/43/82/366964382.db2.gz LKZQGULGSLKINL-GXTWGEPZSA-N 0 3 291.439 2.491 20 70 CEIDHN CC(C)[C@H](N)C(=O)NCCOc1cccc(C(C)(C)C)c1 ZINC000160108497 366974751 /nfs/dbraw/zinc/97/47/51/366974751.db2.gz GOMOXSPGFWWIFD-HNNXBMFYSA-N 0 3 292.423 2.462 20 70 CEIDHN CCNC(=O)c1cccc(CN[C@H](COC)C(C)C)c1 ZINC000160194200 366980708 /nfs/dbraw/zinc/98/07/08/366980708.db2.gz BTXAXRIUOWCXQJ-OAHLLOKOSA-N 0 3 278.396 2.197 20 70 CEIDHN COc1ccccc1[C@@H](C)N[C@@H]1CCc2nc(C)nn2C1 ZINC000160413328 367004277 /nfs/dbraw/zinc/00/42/77/367004277.db2.gz XVVOWBZFHNQOAK-DGCLKSJQSA-N 0 3 286.379 2.261 20 70 CEIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000160527800 367013866 /nfs/dbraw/zinc/01/38/66/367013866.db2.gz OYMDTMOQCBLABW-RYUDHWBXSA-N 0 3 285.432 2.367 20 70 CEIDHN C[C@H](N)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000161129860 367059000 /nfs/dbraw/zinc/05/90/00/367059000.db2.gz LHZHSDKOZLAGHT-LURJTMIESA-N 0 3 278.299 2.469 20 70 CEIDHN CCC(CC)c1cc(C(=O)NC[C@@H]2CCN(C)C2)on1 ZINC000161303730 367075739 /nfs/dbraw/zinc/07/57/39/367075739.db2.gz DKSPHNYDIWPJSF-NSHDSACASA-N 0 3 279.384 2.260 20 70 CEIDHN CSC[C@@](C)(O)CNCc1ccccc1OC(F)F ZINC000217859650 370200894 /nfs/dbraw/zinc/20/08/94/370200894.db2.gz QWWWBPUVKIZWOR-ZDUSSCGKSA-N 0 3 291.363 2.492 20 70 CEIDHN COCCN(C)CCN[C@@H]1CCCOc2ccccc21 ZINC000159389698 292426684 /nfs/dbraw/zinc/42/66/84/292426684.db2.gz WUSYJEHILYXNFH-OAHLLOKOSA-N 0 3 278.396 2.068 20 70 CEIDHN COC(CN1CCC([C@@H](O)c2ccccc2)CC1)OC ZINC000160445224 277460342 /nfs/dbraw/zinc/46/03/42/277460342.db2.gz OWDAPYVKIJSOQA-INIZCTEOSA-N 0 3 279.380 2.051 20 70 CEIDHN COc1cc2c(cc1CN[C@@]1(C)CCOC1)O[C@H](C)C2 ZINC000160183908 312637106 /nfs/dbraw/zinc/63/71/06/312637106.db2.gz MFRPQLWMGKJICS-BZNIZROVSA-N 0 3 277.364 2.287 20 70 CEIDHN C[C@H](NC[C@H]1CC(=O)Nc2ccccc21)c1cnn(C)c1 ZINC000160616530 525411388 /nfs/dbraw/zinc/41/13/88/525411388.db2.gz WTIIBCWKXJNAMM-NWDGAFQWSA-N 0 3 284.363 2.197 20 70 CEIDHN C[C@@H](NCCOCCOc1ccccc1)c1cnn(C)c1 ZINC000160742085 525453868 /nfs/dbraw/zinc/45/38/68/525453868.db2.gz RCWHVSURIPQRSZ-CQSZACIVSA-N 0 3 289.379 2.166 20 70 CEIDHN O=C(NC[C@H]1CCN(C2CC2)C1)c1c(F)cc(F)cc1F ZINC000161330833 526612854 /nfs/dbraw/zinc/61/28/54/526612854.db2.gz PTKIBBSRQUFZCJ-SECBINFHSA-N 0 3 298.308 2.318 20 70 CEIDHN C[C@@H]1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)[C@H](C)C1 ZINC000160449193 574511516 /nfs/dbraw/zinc/51/15/16/574511516.db2.gz HWKGOQOUMUGRBW-MNLSVMLLSA-N 0 3 294.439 2.166 20 70 CEIDHN CCN[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000216815205 540415275 /nfs/dbraw/zinc/41/52/75/540415275.db2.gz NBQGJGLSRLJJHF-QFGHMXTESA-N 0 3 250.386 2.069 20 70 CEIDHN CN(CCOc1ccc(F)cc1)CCn1ccnc1 ZINC000159689662 366940303 /nfs/dbraw/zinc/94/03/03/366940303.db2.gz RFIHDPBTOSJLJL-UHFFFAOYSA-N 0 3 263.316 2.033 20 70 CEIDHN CCCOc1cccc(CCNC(=O)CN(C)C(C)C)c1 ZINC000159714999 366941723 /nfs/dbraw/zinc/94/17/23/366941723.db2.gz CVIMCNZHMBWMOY-UHFFFAOYSA-N 0 3 292.423 2.474 20 70 CEIDHN CC(C)NC(=O)[C@H](C)NCc1cccc2cccnc21 ZINC000159437808 366913618 /nfs/dbraw/zinc/91/36/18/366913618.db2.gz VBXAZFBZIRHHNO-LBPRGKRZSA-N 0 3 271.364 2.238 20 70 CEIDHN CC(C)[C@@H](C(=O)N(C)CCOCc1ccccc1)N(C)C ZINC000159484094 366917921 /nfs/dbraw/zinc/91/79/21/366917921.db2.gz MEAQRBALFOLBET-INIZCTEOSA-N 0 3 292.423 2.248 20 70 CEIDHN CCC[C@H](N)C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 ZINC000159497041 366919560 /nfs/dbraw/zinc/91/95/60/366919560.db2.gz UJNPKTGXMHJENV-AWEZNQCLSA-N 0 3 291.395 2.199 20 70 CEIDHN CCC[C@@H](N)C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1 ZINC000159499570 366919823 /nfs/dbraw/zinc/91/98/23/366919823.db2.gz ZDMJATBYDTZPBX-CQSZACIVSA-N 0 3 291.395 2.199 20 70 CEIDHN CCN1CCCN(C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000159507827 366921663 /nfs/dbraw/zinc/92/16/63/366921663.db2.gz WYEOZMDONQFGCF-AWEZNQCLSA-N 0 3 275.396 2.485 20 70 CEIDHN CC(C)c1ncc(CN2C[C@H](C(N)=O)CC[C@@H]2C)s1 ZINC000159523864 366922178 /nfs/dbraw/zinc/92/21/78/366922178.db2.gz ZYNPDVITEJYPQU-WDEREUQCSA-N 0 3 281.425 2.352 20 70 CEIDHN Cc1ccc(C[C@H](C)N(C)C(=O)[C@@]2(F)CCNC2)cc1 ZINC000159639424 366933972 /nfs/dbraw/zinc/93/39/72/366933972.db2.gz INIICTIMALEGFD-XJKSGUPXSA-N 0 3 278.371 2.086 20 70 CEIDHN Cc1ccc([C@@H](C)CNC(=O)[C@@H]2CCCCN2)cc1 ZINC000159658370 366937080 /nfs/dbraw/zinc/93/70/80/366937080.db2.gz BLPQXCPWQNZDNE-ZFWWWQNUSA-N 0 3 260.381 2.357 20 70 CEIDHN CCNC(=O)N1CC[C@@H](N[C@H](C)c2ccccc2C)C1 ZINC000159813860 366951960 /nfs/dbraw/zinc/95/19/60/366951960.db2.gz LXFMGKZNQKWMJT-ZIAGYGMSSA-N 0 3 275.396 2.449 20 70 CEIDHN CC[C@H](C)OCC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000159992160 366963741 /nfs/dbraw/zinc/96/37/41/366963741.db2.gz SORUKZGCQSWMAG-HOCLYGCPSA-N 0 3 292.423 2.091 20 70 CEIDHN COc1cc2c(cc1CN[C@]1(C)CCOC1)O[C@H](C)C2 ZINC000160183616 366979225 /nfs/dbraw/zinc/97/92/25/366979225.db2.gz MFRPQLWMGKJICS-BDJLRTHQSA-N 0 3 277.364 2.287 20 70 CEIDHN Cc1cccc2nc(CN[C@H](C)[C@H]3CCOC3)cn21 ZINC000160298629 366992693 /nfs/dbraw/zinc/99/26/93/366992693.db2.gz XPLVDYJXGDVDNW-OLZOCXBDSA-N 0 3 259.353 2.157 20 70 CEIDHN C[C@@H](O)C(C)(C)NCc1cc2ccccc2[nH]c1=O ZINC000161137492 367060587 /nfs/dbraw/zinc/06/05/87/367060587.db2.gz PZWIRNYMVCSLCR-SNVBAGLBSA-N 0 3 260.337 2.189 20 70 CEIDHN Cc1ccc([O-])c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000217914189 370202967 /nfs/dbraw/zinc/20/29/67/370202967.db2.gz MOZOXTODTUFDPD-DZGCQCFKSA-N 0 3 275.396 2.012 20 70 CEIDHN Cc1ccc([O-])c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000217914189 370202971 /nfs/dbraw/zinc/20/29/71/370202971.db2.gz MOZOXTODTUFDPD-DZGCQCFKSA-N 0 3 275.396 2.012 20 70 CEIDHN CCc1ncnc(NC[C@@H](C)N(C)C2CC2)c1F ZINC000218004397 370204616 /nfs/dbraw/zinc/20/46/16/370204616.db2.gz QORQIKHFBPUOQL-SECBINFHSA-N 0 3 252.337 2.073 20 70 CEIDHN CC1CCN(C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000160556951 395061016 /nfs/dbraw/zinc/06/10/16/395061016.db2.gz AVVLUCJFCARITE-AWEZNQCLSA-N 0 3 265.401 2.008 20 70 CEIDHN CCN1CCCN(C(=O)NCCCOC2CCCC2)CC1 ZINC000159781973 162312568 /nfs/dbraw/zinc/31/25/68/162312568.db2.gz LZACXQJPZJWKTE-UHFFFAOYSA-N 0 3 297.443 2.073 20 70 CEIDHN CCCC[N@H+](C)CCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000159811873 162314815 /nfs/dbraw/zinc/31/48/15/162314815.db2.gz RMCSKMHNCHHASA-UHFFFAOYSA-N 0 3 297.374 2.062 20 70 CEIDHN CCCC[N@@H+](C)CCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000159811873 162314819 /nfs/dbraw/zinc/31/48/19/162314819.db2.gz RMCSKMHNCHHASA-UHFFFAOYSA-N 0 3 297.374 2.062 20 70 CEIDHN CC1CCN(CCNC(=O)N2CCC3(CCC3)C2)CC1 ZINC000160272149 260952543 /nfs/dbraw/zinc/95/25/43/260952543.db2.gz OYLJHSFRDTVMFY-UHFFFAOYSA-N 0 3 279.428 2.304 20 70 CEIDHN CCS[C@H]1CCCCN(C(=O)[C@H](N)CCSC)C1 ZINC000159767278 276399703 /nfs/dbraw/zinc/39/97/03/276399703.db2.gz BAOGIZUBUVXOOR-NWDGAFQWSA-N 0 3 290.498 2.201 20 70 CEIDHN Cc1nc2n(n1)C[C@H](N[C@H]1CCCOc3ccccc31)CC2 ZINC000160477212 279144305 /nfs/dbraw/zinc/14/43/05/279144305.db2.gz HLCWTSLPKNMQLS-HIFRSBDPSA-N 0 3 298.390 2.405 20 70 CEIDHN C[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](N2CCCCC2)C1 ZINC000217731288 289390259 /nfs/dbraw/zinc/39/02/59/289390259.db2.gz JMLNTNBXSUJOSN-ZIAGYGMSSA-N 0 3 282.428 2.277 20 70 CEIDHN COC(CN1CCC(OCC2CCCC2)CC1)OC ZINC000161482216 522528799 /nfs/dbraw/zinc/52/87/99/522528799.db2.gz YNVGDBOXWCWOTP-UHFFFAOYSA-N 0 3 271.401 2.277 20 70 CEIDHN CC[C@H](C)CN(CC)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160661353 523877630 /nfs/dbraw/zinc/87/76/30/523877630.db2.gz RGFDJGGSZXZHSX-QDEZUTFSSA-N 0 3 296.455 2.414 20 70 CEIDHN C[C@H](O)C(C)(C)NCc1ccc(Br)cn1 ZINC000160607741 525696494 /nfs/dbraw/zinc/69/64/94/525696494.db2.gz QUKKXZUAKHJXBT-QMMMGPOBSA-N 0 3 273.174 2.093 20 70 CEIDHN C[C@@H](O)C[C@@H](C)NCc1cncc(Br)c1 ZINC000160594612 525817385 /nfs/dbraw/zinc/81/73/85/525817385.db2.gz CPTSYLLELXLLSF-RKDXNWHRSA-N 0 3 273.174 2.093 20 70 CEIDHN COc1cccc(NC2CCN(CC(OC)OC)CC2)c1 ZINC000161347024 526207891 /nfs/dbraw/zinc/20/78/91/526207891.db2.gz DNKULGAGPVIFQG-UHFFFAOYSA-N 0 3 294.395 2.190 20 70 CEIDHN COc1cc(NC(=O)[C@H]2CCCCCN2)ccc1F ZINC000160349763 344458200 /nfs/dbraw/zinc/45/82/00/344458200.db2.gz LTYWIQFHBVAUSP-GFCCVEGCSA-N 0 3 266.316 2.305 20 70 CEIDHN CCn1ccnc1CNCCc1ccccc1OC ZINC000218206177 344536337 /nfs/dbraw/zinc/53/63/37/344536337.db2.gz NLYBHWMCJIHIBN-UHFFFAOYSA-N 0 3 259.353 2.244 20 70 CEIDHN C[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H](N2CCCCC2)C1 ZINC000217731218 540169057 /nfs/dbraw/zinc/16/90/57/540169057.db2.gz JMLNTNBXSUJOSN-UONOGXRCSA-N 0 3 282.428 2.277 20 70 CEIDHN c1ncc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)s1 ZINC000159462795 540409320 /nfs/dbraw/zinc/40/93/20/540409320.db2.gz FYUKZUPSKBINHP-UTUOFQBUSA-N 0 3 250.367 2.190 20 70 CEIDHN CCN1CCCN(C(=O)NCc2cc(C(C)C)no2)CC1 ZINC000159863182 540434354 /nfs/dbraw/zinc/43/43/54/540434354.db2.gz VQECEASFKWEIKE-UHFFFAOYSA-N 0 3 294.399 2.035 20 70 CEIDHN Cc1ccc(NC(=O)N(CCN(C)C)CC(C)C)cn1 ZINC000161433014 540821229 /nfs/dbraw/zinc/82/12/29/540821229.db2.gz ROVQCDJWEREMLC-UHFFFAOYSA-N 0 3 278.400 2.442 20 70 CEIDHN CCc1nc2c(s1)[C@@H](NCCN(C)CCOC)CCC2 ZINC000159367380 366905792 /nfs/dbraw/zinc/90/57/92/366905792.db2.gz YAAIXLVZYHHDFI-LBPRGKRZSA-N 0 3 297.468 2.251 20 70 CEIDHN COc1ccccc1[C@@H](C)NCCCN1CCCC1=O ZINC000159508259 366921229 /nfs/dbraw/zinc/92/12/29/366921229.db2.gz MMSIYEYBIHUZTC-CYBMUJFWSA-N 0 3 276.380 2.358 20 70 CEIDHN COc1ccccc1[C@H](C)NCCCN1CCCC1=O ZINC000159508122 366921278 /nfs/dbraw/zinc/92/12/78/366921278.db2.gz MMSIYEYBIHUZTC-ZDUSSCGKSA-N 0 3 276.380 2.358 20 70 CEIDHN N[C@@H](Cc1ccccc1)C(=O)N1CCC2(CCCC2)C1 ZINC000159584700 366929436 /nfs/dbraw/zinc/92/94/36/366929436.db2.gz MYSOLTRLBBIETL-HNNXBMFYSA-N 0 3 272.392 2.349 20 70 CEIDHN Cc1csc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1 ZINC000159632136 366934048 /nfs/dbraw/zinc/93/40/48/366934048.db2.gz LYRCAWQHHXSTSC-DRZSPHRISA-N 0 3 264.394 2.499 20 70 CEIDHN C[C@@H]1CC[C@H](C(N)=O)CN1C/C=C/c1ccc(F)cc1 ZINC000159627613 366934270 /nfs/dbraw/zinc/93/42/70/366934270.db2.gz AOPWPBHGWYZTHC-VJTBZZIASA-N 0 3 276.355 2.425 20 70 CEIDHN COCCCN(C)CCNc1nc(C(C)(C)C)ns1 ZINC000159647603 366935147 /nfs/dbraw/zinc/93/51/47/366935147.db2.gz WFOLPLVGKIIMOM-UHFFFAOYSA-N 0 3 286.445 2.216 20 70 CEIDHN C[C@H]1C[C@@H](NC(=O)N(C)C2CC2)CN1Cc1ccccc1 ZINC000159962373 366962248 /nfs/dbraw/zinc/96/22/48/366962248.db2.gz BDNFINFDALDPFV-DZGCQCFKSA-N 0 3 287.407 2.453 20 70 CEIDHN CCOCCC1(CN[C@@H](C(N)=O)c2ccccc2)CCC1 ZINC000159983716 366963804 /nfs/dbraw/zinc/96/38/04/366963804.db2.gz JUTJNGXODCESPJ-OAHLLOKOSA-N 0 3 290.407 2.400 20 70 CEIDHN CCN(CC(C)C)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160109326 366974964 /nfs/dbraw/zinc/97/49/64/366974964.db2.gz TXMMRHIBCOPOJH-DVOMOZLQSA-N 0 3 282.428 2.023 20 70 CEIDHN CSCC[C@@H](N)C(=O)N1CCc2c1cccc2Cl ZINC000160591703 367021304 /nfs/dbraw/zinc/02/13/04/367021304.db2.gz FAMSTFPXXLMERL-LLVKDONJSA-N 0 3 284.812 2.310 20 70 CEIDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1cccs1)CC2 ZINC000160369111 366999907 /nfs/dbraw/zinc/99/99/07/366999907.db2.gz JHKCXZPJBASKNC-KOLCDFICSA-N 0 3 262.382 2.314 20 70 CEIDHN CC(C)c1nccc(N(C)[C@H]2CCN(C)C[C@@H]2C)n1 ZINC000160427367 367004783 /nfs/dbraw/zinc/00/47/83/367004783.db2.gz ZXBDHQVFKFYTHT-STQMWFEESA-N 0 3 262.401 2.376 20 70 CEIDHN C[C@@H](CCc1cccc(F)c1)C(=O)N1CCCNCC1 ZINC000160823651 367036895 /nfs/dbraw/zinc/03/68/95/367036895.db2.gz FGJHVZRHDBZWTP-ZDUSSCGKSA-N 0 3 278.371 2.216 20 70 CEIDHN CSCC[C@@H](N)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000160894676 367041606 /nfs/dbraw/zinc/04/16/06/367041606.db2.gz NMDVLVMDBGRXNO-SGMGOOAPSA-N 0 3 280.437 2.375 20 70 CEIDHN CC(C)NC(=O)CN[C@H](Cc1ccccc1)C1CC1 ZINC000160913449 367042556 /nfs/dbraw/zinc/04/25/56/367042556.db2.gz YABZIIQUDVQDAY-OAHLLOKOSA-N 0 3 260.381 2.122 20 70 CEIDHN COc1cc2c(cc1CNC(C)(C)[C@@H](C)O)O[C@H](C)C2 ZINC000161145446 367061965 /nfs/dbraw/zinc/06/19/65/367061965.db2.gz LSLZQAVUXJLUDM-GHMZBOCLSA-N 0 3 279.380 2.268 20 70 CEIDHN C[C@H](CNC(=O)[C@@H](N)C(C)(C)C)Oc1cccc(F)c1 ZINC000161148895 367062498 /nfs/dbraw/zinc/06/24/98/367062498.db2.gz MGSJZOJPFCXLBV-ZWNOBZJWSA-N 0 3 282.359 2.083 20 70 CEIDHN COCCN1CCC(NC(=O)C(C)(C)C2CCCC2)CC1 ZINC000161183598 367065277 /nfs/dbraw/zinc/06/52/77/367065277.db2.gz VCOMSSJACYLZOO-UHFFFAOYSA-N 0 3 296.455 2.430 20 70 CEIDHN CC1(O)CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000161200111 367066661 /nfs/dbraw/zinc/06/66/61/367066661.db2.gz BTEITSKOQRYBPI-UHFFFAOYSA-N 0 3 271.364 2.219 20 70 CEIDHN CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(OC)c(OC)c1 ZINC000161369140 367081161 /nfs/dbraw/zinc/08/11/61/367081161.db2.gz JIWPDUMXYAAMOX-CMPLNLGQSA-N 0 3 280.368 2.008 20 70 CEIDHN CCC[C@H](N)C(=O)N1CC[C@@H](c2ccccc2OC)C1 ZINC000161439928 367086602 /nfs/dbraw/zinc/08/66/02/367086602.db2.gz KLAWNBIDYMNGTH-OCCSQVGLSA-N 0 3 276.380 2.139 20 70 CEIDHN CCCCNC(=O)[C@@H]1CCCN(CCOCC2CC2)C1 ZINC000159884416 162316967 /nfs/dbraw/zinc/31/69/67/162316967.db2.gz KECFCEYQXLLQMH-OAHLLOKOSA-N 0 3 282.428 2.041 20 70 CEIDHN CC[C@@H](C(=O)N1CCO[C@@H](c2ccccc2C)C1)N(C)C ZINC000159936526 162317914 /nfs/dbraw/zinc/31/79/14/162317914.db2.gz IMVOYTAFIWHNEH-JKSUJKDBSA-N 0 3 290.407 2.235 20 70 CEIDHN COC[C@H](NCc1ccc(OC(C)C)nc1)C1CC1 ZINC000160109306 162322656 /nfs/dbraw/zinc/32/26/56/162322656.db2.gz ZRFUZCDPDVFYES-AWEZNQCLSA-N 0 3 264.369 2.383 20 70 CEIDHN COc1ccc(OC)c([C@@H](C)N[C@H](CCO)CSC)c1 ZINC000160177568 162326423 /nfs/dbraw/zinc/32/64/23/162326423.db2.gz PVSUFDCBJJHHRZ-VXGBXAGGSA-N 0 3 299.436 2.468 20 70 CEIDHN C[C@@H](N)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000160081410 274234565 /nfs/dbraw/zinc/23/45/65/274234565.db2.gz HCPSNUPVMPMCLJ-LDWIPMOCSA-N 0 3 273.163 2.444 20 70 CEIDHN CC(C)C[C@H](N)C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000159480522 275597914 /nfs/dbraw/zinc/59/79/14/275597914.db2.gz QNRDSLFSINISEK-ZDUSSCGKSA-N 0 3 290.342 2.323 20 70 CEIDHN CCC[C@]1(C)CCCN(C(=O)[C@@H](N)CCSC)C1 ZINC000160934916 276293381 /nfs/dbraw/zinc/29/33/81/276293381.db2.gz KNZIXNQFWHPHJM-GXTWGEPZSA-N 0 3 272.458 2.496 20 70 CEIDHN C[C@H](NCC(C)(C)O)c1ccc(F)cc1N(C)C ZINC000160638796 279461674 /nfs/dbraw/zinc/46/16/74/279461674.db2.gz AMQRMSIOBGPICA-JTQLQIEISA-N 0 3 254.349 2.313 20 70 CEIDHN C[C@H](N)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000161009731 289763693 /nfs/dbraw/zinc/76/36/93/289763693.db2.gz SBANHLFJQMGXIT-JOYOIKCWSA-N 0 3 284.812 2.304 20 70 CEIDHN CC[C@H](N)C(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000160069048 297432997 /nfs/dbraw/zinc/43/29/97/297432997.db2.gz WLKXZJLYCROHDJ-LBPRGKRZSA-N 0 3 260.341 2.293 20 70 CEIDHN CCC(CC)CNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000160901498 521531559 /nfs/dbraw/zinc/53/15/59/521531559.db2.gz VZXXMUAWXOOFFM-HEHGZKQESA-N 0 3 282.428 2.071 20 70 CEIDHN COC[C@@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000160394077 522458475 /nfs/dbraw/zinc/45/84/75/522458475.db2.gz WENUHXLJYDXPJS-CYBMUJFWSA-N 0 3 259.353 2.193 20 70 CEIDHN COc1ccc([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160521380 525165720 /nfs/dbraw/zinc/16/57/20/525165720.db2.gz KBHNVRJZZMECLD-RISCZKNCSA-N 0 3 286.379 2.261 20 70 CEIDHN C[C@H](C(=O)NC[C@H]1CCCN(C)C1)c1ccsc1 ZINC000159516777 344455217 /nfs/dbraw/zinc/45/52/17/344455217.db2.gz VEETXBAZOSTRQT-NWDGAFQWSA-N 0 3 266.410 2.310 20 70 CEIDHN CCc1ccc(CN2CCN(CC3CC3)CC2)nc1 ZINC000218484930 344536315 /nfs/dbraw/zinc/53/63/15/344536315.db2.gz XSZCHWVCILKKDB-UHFFFAOYSA-N 0 3 259.397 2.172 20 70 CEIDHN COC(=O)c1cc(CN(C)C[C@@H]2CCC[C@@H]2O)c(C)s1 ZINC000159707225 366941604 /nfs/dbraw/zinc/94/16/04/366941604.db2.gz YGMOCGZNIBOMCD-AAEUAGOBSA-N 0 3 297.420 2.436 20 70 CEIDHN Cc1[nH]c(=O)ccc1C(=O)Nc1cccc(CN(C)C)c1 ZINC000159731203 366943460 /nfs/dbraw/zinc/94/34/60/366943460.db2.gz LCQRUBYANWGAND-UHFFFAOYSA-N 0 3 285.347 2.410 20 70 CEIDHN Cc1ccc([C@@H](C)NCCCN2CCCC2=O)o1 ZINC000159575822 366928548 /nfs/dbraw/zinc/92/85/48/366928548.db2.gz HLTZWQCLWDIHDJ-GFCCVEGCSA-N 0 3 250.342 2.251 20 70 CEIDHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cnc(C2CC2)s1 ZINC000159678180 366938514 /nfs/dbraw/zinc/93/85/14/366938514.db2.gz VJALYUAQTWBRAP-MWLCHTKSSA-N 0 3 279.409 2.106 20 70 CEIDHN C[C@H](N)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159806860 366949609 /nfs/dbraw/zinc/94/96/09/366949609.db2.gz CTAGOSLSSROZLE-GXSJLCMTSA-N 0 3 252.745 2.003 20 70 CEIDHN COCCC1(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000159786239 366947870 /nfs/dbraw/zinc/94/78/70/366947870.db2.gz UFWBIYIFOQOESJ-UONOGXRCSA-N 0 3 282.428 2.040 20 70 CEIDHN C[C@H](CNC(=O)NCC1(C2CC2)CCC1)N(C)C1CC1 ZINC000159862206 366954889 /nfs/dbraw/zinc/95/48/89/366954889.db2.gz OBESVQQNIRCMHP-GFCCVEGCSA-N 0 3 279.428 2.349 20 70 CEIDHN CN(C[C@H](O)c1ccc(F)cc1)CC1(O)CCCC1 ZINC000159858867 366955016 /nfs/dbraw/zinc/95/50/16/366955016.db2.gz XAVYUFNBKRYKHX-AWEZNQCLSA-N 0 3 267.344 2.096 20 70 CEIDHN CSCC[C@H](N)C(=O)NCCc1c(C)cccc1C ZINC000160213816 366983718 /nfs/dbraw/zinc/98/37/18/366983718.db2.gz NFPFDDFWMKMYKL-AWEZNQCLSA-N 0 3 280.437 2.043 20 70 CEIDHN Cc1ccoc1C(=O)NC[C@H]1CCCN1CC(C)C ZINC000160567147 367018241 /nfs/dbraw/zinc/01/82/41/367018241.db2.gz CEQWPNJQPFQGRD-CYBMUJFWSA-N 0 3 264.369 2.438 20 70 CEIDHN CCc1ccc([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)o1 ZINC000160576300 367018998 /nfs/dbraw/zinc/01/89/98/367018998.db2.gz CLQWFXOEXMIDRM-CMPLNLGQSA-N 0 3 274.368 2.408 20 70 CEIDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1cnn(C(C)C)c1)CC2 ZINC000160537554 367015456 /nfs/dbraw/zinc/01/54/56/367015456.db2.gz DGPIVLZZZPPAMO-SMDDNHRTSA-N 0 3 288.399 2.030 20 70 CEIDHN NC1(C(=O)Nc2cccc(CC(F)(F)F)c2)CC1 ZINC000160800293 367035352 /nfs/dbraw/zinc/03/53/52/367035352.db2.gz DOIMVBLOUIKIFF-UHFFFAOYSA-N 0 3 258.243 2.221 20 70 CEIDHN C[C@@H](O)C(C)(C)NCc1cnn(Cc2ccccc2)c1 ZINC000161118516 367059461 /nfs/dbraw/zinc/05/94/61/367059461.db2.gz GTJINMKFLPPNIR-CYBMUJFWSA-N 0 3 273.380 2.180 20 70 CEIDHN CCc1ccccc1C(=O)NC[C@H]1CCCN1CC ZINC000160700543 367028162 /nfs/dbraw/zinc/02/81/62/367028162.db2.gz ZULQKUPQNBUQPG-CQSZACIVSA-N 0 3 260.381 2.463 20 70 CEIDHN Cc1cccc(C(=O)N(C)C2CCN(C)CC2)c1F ZINC000161385838 367082432 /nfs/dbraw/zinc/08/24/32/367082432.db2.gz UBLJTAFARQLZLX-UHFFFAOYSA-N 0 3 264.344 2.300 20 70 CEIDHN Cc1cccc(C(=O)NC2CCN(C3CC3)CC2)c1F ZINC000161428290 367085215 /nfs/dbraw/zinc/08/52/15/367085215.db2.gz RAVBEBUCJAELKF-UHFFFAOYSA-N 0 3 276.355 2.491 20 70 CEIDHN CC(C)NC(=O)CCNCc1cccc2cc[nH]c21 ZINC000218101340 370204809 /nfs/dbraw/zinc/20/48/09/370204809.db2.gz VAQNRAFBYCXNNL-UHFFFAOYSA-N 0 3 259.353 2.172 20 70 CEIDHN CC[C@H](N)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000161098459 395063497 /nfs/dbraw/zinc/06/34/97/395063497.db2.gz CCKDHWSISVAKSD-IIMNLJJBSA-N 0 3 264.344 2.303 20 70 CEIDHN C[C@H](N)C(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000161051467 400283794 /nfs/dbraw/zinc/28/37/94/400283794.db2.gz IVIBYVHORAUJAA-UWVGGRQHSA-N 0 3 254.761 2.077 20 70 CEIDHN CCO[C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2)C12CCCCC2 ZINC000161179005 286483738 /nfs/dbraw/zinc/48/37/38/286483738.db2.gz QUVITEUWDLJNCO-ZNMIVQPWSA-N 0 3 294.439 2.373 20 70 CEIDHN Cc1cccc([C@H]2CCCN2C[C@H](O)COC(C)C)n1 ZINC000159771929 162312749 /nfs/dbraw/zinc/31/27/49/162312749.db2.gz LPLROCSNXUGSNZ-GOEBONIOSA-N 0 3 278.396 2.313 20 70 CEIDHN CC[C@@H](C(=O)N1CCO[C@H](c2ccccc2C)C1)N(C)C ZINC000159936263 162320366 /nfs/dbraw/zinc/32/03/66/162320366.db2.gz IMVOYTAFIWHNEH-HOTGVXAUSA-N 0 3 290.407 2.235 20 70 CEIDHN CCC[C@H](O)CN[C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000159495936 278949017 /nfs/dbraw/zinc/94/90/17/278949017.db2.gz SRIISJZOUNWYQH-OCCSQVGLSA-N 0 3 299.436 2.292 20 70 CEIDHN CC[C@@H](C(=O)NCCCSCC(C)C)N(C)C ZINC000160699015 312639887 /nfs/dbraw/zinc/63/98/87/312639887.db2.gz ZPDLQHMATVMSCW-LBPRGKRZSA-N 0 3 260.447 2.222 20 70 CEIDHN CC(C)[C@H](N)C(=O)Nc1nc(-c2ccsc2)ns1 ZINC000159468402 519817614 /nfs/dbraw/zinc/81/76/14/519817614.db2.gz WTZDWHWHMHLGMU-QMMMGPOBSA-N 0 3 282.394 2.188 20 70 CEIDHN CCC[C@H](CC)NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160443628 521080901 /nfs/dbraw/zinc/08/09/01/521080901.db2.gz OFCQYRILJPVRPM-RSUWNVLCSA-N 0 3 282.428 2.214 20 70 CEIDHN CC[C@@H](C)c1cc(C(=O)NC[C@@H]2CCN(C3CC3)C2)on1 ZINC000161341066 522417872 /nfs/dbraw/zinc/41/78/72/522417872.db2.gz LURNNPUCNBICDB-NEPJUHHUSA-N 0 3 291.395 2.402 20 70 CEIDHN COC(CN1CCC(COc2ccccc2)CC1)OC ZINC000160678138 522530205 /nfs/dbraw/zinc/53/02/05/522530205.db2.gz KHPBNBVWKJAQRO-UHFFFAOYSA-N 0 3 279.380 2.396 20 70 CEIDHN COc1ccc([C@@H](C)N[C@@H](CCO)CSC)c(OC)c1 ZINC000160354154 525159100 /nfs/dbraw/zinc/15/91/00/525159100.db2.gz NDHPHHMQQUXRGM-NEPJUHHUSA-N 0 3 299.436 2.468 20 70 CEIDHN Cc1csc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1 ZINC000159631997 526360416 /nfs/dbraw/zinc/36/04/16/526360416.db2.gz LYRCAWQHHXSTSC-UHTWSYAYSA-N 0 3 264.394 2.499 20 70 CEIDHN CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]1c1ccccc1)N(C)C ZINC000159696622 528370325 /nfs/dbraw/zinc/37/03/25/528370325.db2.gz KUVBFWSEWSTJQQ-ZNMIVQPWSA-N 0 3 260.381 2.245 20 70 CEIDHN Cc1nc2n(n1)C[C@H](N[C@@H]1CCc3cc(F)ccc31)CC2 ZINC000160304625 282126730 /nfs/dbraw/zinc/12/67/30/282126730.db2.gz KGWZIARZSHVIFB-UKRRQHHQSA-N 0 3 286.354 2.318 20 70 CEIDHN c1c(CN2CCN(c3ccncc3)CC2)nc2ccccn12 ZINC000161354458 539279437 /nfs/dbraw/zinc/27/94/37/539279437.db2.gz XBLWSHOILLSBFC-UHFFFAOYSA-N 0 3 293.374 2.052 20 70 CEIDHN CSCC[C@H](C)N(C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160701446 344460596 /nfs/dbraw/zinc/46/05/96/344460596.db2.gz HMBSXDRDDOLKFU-JSGCOSHPSA-N 0 3 299.484 2.254 20 70 CEIDHN CCN1CCC(NC(=O)C[C@H](C)c2c(C)n[nH]c2C)CC1 ZINC000159485950 188428484 /nfs/dbraw/zinc/42/84/84/188428484.db2.gz KXYQPTAIQGXXPC-NSHDSACASA-N 0 3 292.427 2.121 20 70 CEIDHN CCCn1nccc1CN[C@H](C)CN1CCCCC1 ZINC000160084807 540111578 /nfs/dbraw/zinc/11/15/78/540111578.db2.gz BZBBIHRFPFPQCV-CQSZACIVSA-N 0 3 264.417 2.257 20 70 CEIDHN C[C@@H](CC(=O)N(C)CC1CCN(C)CC1)c1ccncc1 ZINC000160016543 540443385 /nfs/dbraw/zinc/44/33/85/540443385.db2.gz SPVLKANEXMZXFB-AWEZNQCLSA-N 0 3 289.423 2.375 20 70 CEIDHN O=C(NC1CC1)[C@@H](NC1CC=CC1)c1ccccc1 ZINC000160892252 540677805 /nfs/dbraw/zinc/67/78/05/540677805.db2.gz GJMSMSSSDLHBCH-HNNXBMFYSA-N 0 3 256.349 2.315 20 70 CEIDHN C[C@H]1CN(Cc2ccnc3ccccc23)CC[C@@H]1O ZINC000159398323 366908543 /nfs/dbraw/zinc/90/85/43/366908543.db2.gz NQCZFBDHVVJTOX-LRDDRELGSA-N 0 3 256.349 2.438 20 70 CEIDHN CC(C)CN(CCN(C)C)C(=O)CCCn1cccc1 ZINC000159417779 366910698 /nfs/dbraw/zinc/91/06/98/366910698.db2.gz DCOVSRMUXFAODU-UHFFFAOYSA-N 0 3 279.428 2.315 20 70 CEIDHN C[C@@H](CO)N(C)Cc1cccc(Br)c1 ZINC000159458939 366917012 /nfs/dbraw/zinc/91/70/12/366917012.db2.gz JOSMNRDKVRXXRV-VIFPVBQESA-N 0 3 258.159 2.262 20 70 CEIDHN COc1ccc(OC)c(CN(C)C[C@H]2CCC[C@@H]2O)c1 ZINC000159659259 366937808 /nfs/dbraw/zinc/93/78/08/366937808.db2.gz CAEXUZLQJOSJCG-DOMZBBRYSA-N 0 3 279.380 2.297 20 70 CEIDHN c1cn(CCN2CCC[C@@H]2c2cccc3c2OCCO3)cn1 ZINC000159801793 366950039 /nfs/dbraw/zinc/95/00/39/366950039.db2.gz YNPBDAUIOFNHDS-OAHLLOKOSA-N 0 3 299.374 2.491 20 70 CEIDHN CC[C@@H](COC)NCc1cncc(Br)c1 ZINC000160579684 367019500 /nfs/dbraw/zinc/01/95/00/367019500.db2.gz HNNMCGKVPHCSIU-NSHDSACASA-N 0 3 273.174 2.359 20 70 CEIDHN C[C@@H](NCC(C)(C)O)c1cnn(Cc2ccccc2)c1 ZINC000160639440 367023898 /nfs/dbraw/zinc/02/38/98/367023898.db2.gz WABUXGAGRYCOAL-CYBMUJFWSA-N 0 3 273.380 2.353 20 70 CEIDHN CC(C)NC(=O)CN[C@@H]1CCC[C@H]1c1ccccc1 ZINC000160940544 367046013 /nfs/dbraw/zinc/04/60/13/367046013.db2.gz VKIAZKFHVTUQBH-LSDHHAIUSA-N 0 3 260.381 2.437 20 70 CEIDHN CC[C@@H](C)[C@H](N)C(=O)NC[C@@H](C)Oc1cccc(C)c1 ZINC000161167985 367064033 /nfs/dbraw/zinc/06/40/33/367064033.db2.gz LWWYQTYHDLOXCZ-NFAWXSAZSA-N 0 3 278.396 2.252 20 70 CEIDHN COCC[C@H](C)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160766714 367032569 /nfs/dbraw/zinc/03/25/69/367032569.db2.gz KVFJGARKQWBIGI-HOCLYGCPSA-N 0 3 290.407 2.365 20 70 CEIDHN C[C@@H](NC1CCN(C)CC1)c1cccnc1Cl ZINC000161453411 367087581 /nfs/dbraw/zinc/08/75/81/367087581.db2.gz GBMVQDZQDNJFOE-SNVBAGLBSA-N 0 3 253.777 2.480 20 70 CEIDHN CC(C)c1ncc(C(=O)N2CCC[C@@H](N(C)C)C2)s1 ZINC000161480422 367090547 /nfs/dbraw/zinc/09/05/47/367090547.db2.gz BQZSCIKWTXWLOR-LLVKDONJSA-N 0 3 281.425 2.433 20 70 CEIDHN O=C(NC1CCN(Cc2ccccc2)CC1)C(F)F ZINC000217624057 370198460 /nfs/dbraw/zinc/19/84/60/370198460.db2.gz MGUWSMKWEFNHFL-UHFFFAOYSA-N 0 3 268.307 2.032 20 70 CEIDHN CC1CCN(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)CC1 ZINC000160680807 395061792 /nfs/dbraw/zinc/06/17/92/395061792.db2.gz YEKBJQQYYKKQLW-KBPBESRZSA-N 0 3 265.401 2.007 20 70 CEIDHN CCC[C@@]1(C)CCCN(C(=O)[C@H](N)CCSC)C1 ZINC000160934769 276036297 /nfs/dbraw/zinc/03/62/97/276036297.db2.gz KNZIXNQFWHPHJM-OCCSQVGLSA-N 0 3 272.458 2.496 20 70 CEIDHN CC(C)CN(CCCS(=O)(=O)C(C)C)C1CC1 ZINC000160755734 277379131 /nfs/dbraw/zinc/37/91/31/277379131.db2.gz XFPGXFVVCSQSAA-UHFFFAOYSA-N 0 3 261.431 2.320 20 70 CEIDHN Cc1cc(C)cc(-c2nnc(NC(=O)[C@H](C)N)s2)c1 ZINC000160115635 280413050 /nfs/dbraw/zinc/41/30/50/280413050.db2.gz ORZSSQOKWGQCMF-VIFPVBQESA-N 0 3 276.365 2.108 20 70 CEIDHN CCCN(C(=O)CNC)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000160614316 500586222 /nfs/dbraw/zinc/58/62/22/500586222.db2.gz SVPZNLXNAOHBTR-ZIAGYGMSSA-N 0 3 282.428 2.182 20 70 CEIDHN CCOc1cc(Cl)ccc1NC(=O)[C@@]1(F)CCNC1 ZINC000161503881 520740580 /nfs/dbraw/zinc/74/05/80/520740580.db2.gz BYHYRZZWYQIKDA-CYBMUJFWSA-N 0 3 286.734 2.379 20 70 CEIDHN Cc1nc2n(n1)C[C@@H](N[C@@H]1CCc3ccccc31)CC2 ZINC000160371919 282118415 /nfs/dbraw/zinc/11/84/15/282118415.db2.gz FQJLVCZGIJWIOG-DZGCQCFKSA-N 0 3 268.364 2.178 20 70 CEIDHN C[C@H](CNC(=O)c1cccc2c1CCCN2)N1CCCC1 ZINC000161217286 344463612 /nfs/dbraw/zinc/46/36/12/344463612.db2.gz QAPSBWBIECGCID-CYBMUJFWSA-N 0 3 287.407 2.259 20 70 CEIDHN COCCC1(CNC(=O)N(CCN(C)C)C(C)C)CCC1 ZINC000159671784 232247958 /nfs/dbraw/zinc/24/79/58/232247958.db2.gz FSVPYRDUPAJNLB-UHFFFAOYSA-N 0 3 299.459 2.175 20 70 CEIDHN C[C@H](CNC(=O)c1ccc2c(c1)CCCN2)N1CCCC1 ZINC000161041589 540131574 /nfs/dbraw/zinc/13/15/74/540131574.db2.gz IDEOBDWQTYRYLH-CYBMUJFWSA-N 0 3 287.407 2.259 20 70 CEIDHN C[C@H](CNC(=O)C[C@H](C)c1ccncc1)N(C)C1CC1 ZINC000159916589 540439638 /nfs/dbraw/zinc/43/96/38/540439638.db2.gz RWGUBSDWRBJXLM-QWHCGFSZSA-N 0 3 275.396 2.174 20 70 CEIDHN C[C@H](CC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)c1ccncc1 ZINC000161105282 540725599 /nfs/dbraw/zinc/72/55/99/540725599.db2.gz WFPJEGLGOSNXFF-VNHYZAJKSA-N 0 3 287.407 2.317 20 70 CEIDHN CC(C)(C)CCN1CCN(CCOCC2CC2)CC1 ZINC000159509838 366920430 /nfs/dbraw/zinc/92/04/30/366920430.db2.gz QLMVZOCCUALXEV-UHFFFAOYSA-N 0 3 268.445 2.467 20 70 CEIDHN CS[C@H](C)CNC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000159643961 366935265 /nfs/dbraw/zinc/93/52/65/366935265.db2.gz RMLSHBGGQDMXBO-NEPJUHHUSA-N 0 3 275.462 2.013 20 70 CEIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)NCc1ccco1 ZINC000159686309 366938468 /nfs/dbraw/zinc/93/84/68/366938468.db2.gz QZRFQQNOINDJHK-JSGCOSHPSA-N 0 3 262.353 2.160 20 70 CEIDHN NC(=O)CC1CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000159782485 366948048 /nfs/dbraw/zinc/94/80/48/366948048.db2.gz QXFIMOFQHATXSM-UHFFFAOYSA-N 0 3 286.375 2.050 20 70 CEIDHN CCN(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000159982914 366963994 /nfs/dbraw/zinc/96/39/94/366963994.db2.gz ROKMBHNFCQPGKV-DZGCQCFKSA-N 0 3 275.396 2.168 20 70 CEIDHN C[C@@H](C(=O)NC[C@H]1CCCN1C)c1cccs1 ZINC000160135128 366976442 /nfs/dbraw/zinc/97/64/42/366976442.db2.gz RVVSGSMFHZIPLF-GHMZBOCLSA-N 0 3 252.383 2.062 20 70 CEIDHN CC[C@@H](C(=O)NC[C@@H](C)Cc1cccs1)N(C)C ZINC000160177773 366979443 /nfs/dbraw/zinc/97/94/43/366979443.db2.gz CWLHBPDRZDFKIU-AAEUAGOBSA-N 0 3 268.426 2.383 20 70 CEIDHN CC[C@H](c1ccccc1)S(=O)(=O)C(C)C(=O)NC1CC1 ZINC000160604677 367022137 /nfs/dbraw/zinc/02/21/37/367022137.db2.gz ONJRQHOMTYIYEX-BXUZGUMPSA-N 0 3 295.404 2.220 20 70 CEIDHN C[C@@H](N)C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000160881325 367041540 /nfs/dbraw/zinc/04/15/40/367041540.db2.gz RLTHONDPQFZCPS-LLVKDONJSA-N 0 3 280.799 2.468 20 70 CEIDHN CNC(=O)CCCN(C)CCC(=O)c1ccc(C)cc1 ZINC000161007727 367049338 /nfs/dbraw/zinc/04/93/38/367049338.db2.gz XLJFBROSVWVLLF-UHFFFAOYSA-N 0 3 276.380 2.026 20 70 CEIDHN COC(CN1CC[C@H](Cc2ccc(F)cc2)C1)OC ZINC000161174256 367064004 /nfs/dbraw/zinc/06/40/04/367064004.db2.gz VIRHYLAWVJZZGA-CYBMUJFWSA-N 0 3 267.344 2.309 20 70 CEIDHN CN(CCNC(=O)[C@@H]1CC1(C)C)Cc1ccccc1 ZINC000160677002 367026756 /nfs/dbraw/zinc/02/67/56/367026756.db2.gz MAXDFSDTFJJHHP-AWEZNQCLSA-N 0 3 260.381 2.281 20 70 CEIDHN COc1ccc(OC)c(CCN[C@H](C)c2cnn(C)c2)c1 ZINC000161417782 367084854 /nfs/dbraw/zinc/08/48/54/367084854.db2.gz MKADMQQPFRIYAQ-GFCCVEGCSA-N 0 3 289.379 2.331 20 70 CEIDHN CCC[C@H](N)C(=O)N1CC[C@H](c2ccccc2OC)C1 ZINC000161439689 367086595 /nfs/dbraw/zinc/08/65/95/367086595.db2.gz KLAWNBIDYMNGTH-JSGCOSHPSA-N 0 3 276.380 2.139 20 70 CEIDHN CC[C@H](N)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000161247497 395063764 /nfs/dbraw/zinc/06/37/64/395063764.db2.gz DXMDUMIERUDBIF-QKCSRTOESA-N 0 3 264.344 2.267 20 70 CEIDHN CC1CCN(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000160665909 276194205 /nfs/dbraw/zinc/19/42/05/276194205.db2.gz NKXGXSCOFWTNAR-KGLIPLIRSA-N 0 3 265.401 2.007 20 70 CEIDHN COc1ccc2c(c1)[C@H](N[C@@H]1CCc3nc(C)nn3C1)CC2 ZINC000160386350 277991612 /nfs/dbraw/zinc/99/16/12/277991612.db2.gz HNZOCAPNRRFGDH-CZUORRHYSA-N 0 3 298.390 2.187 20 70 CEIDHN Cc1nc2n(n1)C[C@@H](N[C@H]1CCCOc3ccccc31)CC2 ZINC000160477331 302682102 /nfs/dbraw/zinc/68/21/02/302682102.db2.gz HLCWTSLPKNMQLS-ZFWWWQNUSA-N 0 3 298.390 2.405 20 70 CEIDHN C[C@H](NCCOCCOc1ccccc1)c1cnn(C)c1 ZINC000160741938 525356875 /nfs/dbraw/zinc/35/68/75/525356875.db2.gz RCWHVSURIPQRSZ-AWEZNQCLSA-N 0 3 289.379 2.166 20 70 CEIDHN C[C@@H](NCC(C)(C)O)c1ccc(-n2cncn2)cc1Cl ZINC000160630285 525417700 /nfs/dbraw/zinc/41/77/00/525417700.db2.gz JERQEPDIJXGLNZ-SNVBAGLBSA-N 0 3 294.786 2.342 20 70 CEIDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1cccs1)CC2 ZINC000160368736 282125951 /nfs/dbraw/zinc/12/59/51/282125951.db2.gz JHKCXZPJBASKNC-GXSJLCMTSA-N 0 3 262.382 2.314 20 70 CEIDHN C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000160653064 344460698 /nfs/dbraw/zinc/46/06/98/344460698.db2.gz KATIKZINILXEJV-UKRRQHHQSA-N 0 3 279.428 2.302 20 70 CEIDHN C[C@@H](N)C(=O)N[C@H](COCc1ccccc1)c1ccccc1 ZINC000161305588 188521065 /nfs/dbraw/zinc/52/10/65/188521065.db2.gz IGXRMQIDKCYHNQ-RHSMWYFYSA-N 0 3 298.386 2.408 20 70 CEIDHN CC(C)OCCNC[C@@H](O)COc1ccccc1Cl ZINC000160199506 540113504 /nfs/dbraw/zinc/11/35/04/540113504.db2.gz VWDMXMJQYRTOGQ-GFCCVEGCSA-N 0 3 287.787 2.094 20 70 CEIDHN CCCn1nccc1CNCC1(CO)CCCCC1 ZINC000160197660 540113549 /nfs/dbraw/zinc/11/35/49/540113549.db2.gz YZWOTKAKMPFSLB-UHFFFAOYSA-N 0 3 265.401 2.326 20 70 CEIDHN CN(Cc1ccccc1)CC(C)(C)NCc1cncnc1 ZINC000159368664 540404672 /nfs/dbraw/zinc/40/46/72/540404672.db2.gz XCZFVCNTEFQVOU-UHFFFAOYSA-N 0 3 284.407 2.477 20 70 CEIDHN CCN[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000216815172 540415108 /nfs/dbraw/zinc/41/51/08/540415108.db2.gz NBQGJGLSRLJJHF-OWWVKFPZSA-N 0 3 250.386 2.069 20 70 CEIDHN C[C@@H](CC(=O)N(C)[C@H]1CCCN(C)C1)c1ccncc1 ZINC000160823159 540664798 /nfs/dbraw/zinc/66/47/98/540664798.db2.gz MVOPRFHVFDZXRU-ZFWWWQNUSA-N 0 3 275.396 2.128 20 70 CEIDHN C[C@H](N)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159806729 366948926 /nfs/dbraw/zinc/94/89/26/366948926.db2.gz CTAGOSLSSROZLE-ONGXEEELSA-N 0 3 252.745 2.003 20 70 CEIDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ccccc1 ZINC000159949442 366960774 /nfs/dbraw/zinc/96/07/74/366960774.db2.gz LXBBBLVYOSXDEK-ZENOOKHLSA-N 0 3 274.364 2.158 20 70 CEIDHN CCN(C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000160087225 366971842 /nfs/dbraw/zinc/97/18/42/366971842.db2.gz HAFFHJBFNVPPNW-ZFWWWQNUSA-N 0 3 275.396 2.311 20 70 CEIDHN COc1ccnc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000160216583 366983571 /nfs/dbraw/zinc/98/35/71/366983571.db2.gz JXDBSWSRZWXDMF-ZFWWWQNUSA-N 0 3 298.390 2.418 20 70 CEIDHN C[C@@H]1CCCN(CCNC(=O)NC[C@]2(C)CCCS2)C1 ZINC000160276650 366988920 /nfs/dbraw/zinc/98/89/20/366988920.db2.gz QRMSIFVVAVLFDT-HIFRSBDPSA-N 0 3 299.484 2.303 20 70 CEIDHN C[C@@H]1[C@H](C)OCCN1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160284159 366990571 /nfs/dbraw/zinc/99/05/71/366990571.db2.gz DZQWTLJWFSRKES-KGLIPLIRSA-N 0 3 296.455 2.380 20 70 CEIDHN Cc1cccc2nc(CN[C@H](C)[C@@H]3CCOC3)cn21 ZINC000160298350 366992198 /nfs/dbraw/zinc/99/21/98/366992198.db2.gz XPLVDYJXGDVDNW-CHWSQXEVSA-N 0 3 259.353 2.157 20 70 CEIDHN COc1ccc([C@H](C)NCC(C)(C)O)cc1NC(C)=O ZINC000160637331 367024052 /nfs/dbraw/zinc/02/40/52/367024052.db2.gz UFHNQKJJJIGEHO-JTQLQIEISA-N 0 3 280.368 2.075 20 70 CEIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000160521497 367014180 /nfs/dbraw/zinc/01/41/80/367014180.db2.gz SFNCYZXAYSSGPS-OLZOCXBDSA-N 0 3 285.432 2.225 20 70 CEIDHN CSCC[C@H](N)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000160890393 367040858 /nfs/dbraw/zinc/04/08/58/367040858.db2.gz NMDVLVMDBGRXNO-DYEKYZERSA-N 0 3 280.437 2.375 20 70 CEIDHN CSCC[C@@H](N)C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000160907189 367042135 /nfs/dbraw/zinc/04/21/35/367042135.db2.gz MDCBFHJFJRMUED-AEGPPILISA-N 0 3 292.448 2.471 20 70 CEIDHN Cc1c(NC(=O)C2(N)CC2)sc2c1CCCC2 ZINC000160985942 367048128 /nfs/dbraw/zinc/04/81/28/367048128.db2.gz WIMWJKUYYOZTFH-UHFFFAOYSA-N 0 3 250.367 2.365 20 70 CEIDHN Cc1ccc(CN[C@@H](C)c2ccc(-n3cnnn3)cc2)cn1 ZINC000161323937 367078698 /nfs/dbraw/zinc/07/86/98/367078698.db2.gz ATARBMAXBUDSGY-ZDUSSCGKSA-N 0 3 294.362 2.217 20 70 CEIDHN CC(C)NC(=O)CN[C@H](C)C(C)(C)c1ccccc1 ZINC000160913864 395061840 /nfs/dbraw/zinc/06/18/40/395061840.db2.gz DVTZRBICQXVFAH-CYBMUJFWSA-N 0 3 262.397 2.467 20 70 CEIDHN CCCN(CCC)C(=O)CN1CCCC[C@H]1[C@@H](O)CC ZINC000217198019 400307197 /nfs/dbraw/zinc/30/71/97/400307197.db2.gz WPJBPXZHQMKPKX-GJZGRUSLSA-N 0 3 284.444 2.260 20 70 CEIDHN C[C@@H](Cc1ccccc1F)C(=O)NC[C@@H]1CCCN1C ZINC000160133309 261205751 /nfs/dbraw/zinc/20/57/51/261205751.db2.gz APCZUJATJHXKST-JSGCOSHPSA-N 0 3 278.371 2.215 20 70 CEIDHN C[C@H](N)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000161009875 279392333 /nfs/dbraw/zinc/39/23/33/279392333.db2.gz SBANHLFJQMGXIT-CABZTGNLSA-N 0 3 284.812 2.304 20 70 CEIDHN C[C@H](CN1CCCCC1)NC(=O)NCC1(C2CC2)CC1 ZINC000159616247 297429306 /nfs/dbraw/zinc/42/93/06/297429306.db2.gz OOJWFPSIBQMAHE-CYBMUJFWSA-N 0 3 279.428 2.350 20 70 CEIDHN COC(=O)c1ccc([C@H](C)N2CC[C@@H](N3CCCC3)C2)o1 ZINC000217369249 329437178 /nfs/dbraw/zinc/43/71/78/329437178.db2.gz RURNEPPSKXOBGW-QWHCGFSZSA-N 0 3 292.379 2.297 20 70 CEIDHN CCOc1ccc(CNC(C)(C)[C@H](C)O)cc1OC ZINC000161155114 520999501 /nfs/dbraw/zinc/99/95/01/520999501.db2.gz ACCGNYDUPBVQRE-NSHDSACASA-N 0 3 267.369 2.343 20 70 CEIDHN COC(CN1CCC(OC2CCCC2)CC1)OC ZINC000160769885 522530906 /nfs/dbraw/zinc/53/09/06/522530906.db2.gz WWQMHLUNVKLBBG-UHFFFAOYSA-N 0 3 257.374 2.029 20 70 CEIDHN CSC[C@@H](CCO)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000160399799 525641183 /nfs/dbraw/zinc/64/11/83/525641183.db2.gz UPYFSEWUCZTTOE-ZYHUDNBSSA-N 0 3 283.393 2.180 20 70 CEIDHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1c(F)cc(F)cc1F ZINC000161330700 526537389 /nfs/dbraw/zinc/53/73/89/526537389.db2.gz PTKIBBSRQUFZCJ-VIFPVBQESA-N 0 3 298.308 2.318 20 70 CEIDHN C[C@@H](CC(=O)N(C)[C@@H]1CCCN(C)C1)c1ccncc1 ZINC000160822871 539279067 /nfs/dbraw/zinc/27/90/67/539279067.db2.gz MVOPRFHVFDZXRU-DZGCQCFKSA-N 0 3 275.396 2.128 20 70 CEIDHN C[C@H](C(=O)N[C@@H]1CCN(CC2CC2)C1)c1cccs1 ZINC000159495481 344454915 /nfs/dbraw/zinc/45/49/15/344454915.db2.gz SLMSVFPIGYACHE-WCQYABFASA-N 0 3 278.421 2.452 20 70 CEIDHN CCn1nccc1CNCC1(O)CCC(C)(C)CC1 ZINC000160161557 344457665 /nfs/dbraw/zinc/45/76/65/344457665.db2.gz OJRHPUGOHLBLSP-UHFFFAOYSA-N 0 3 265.401 2.324 20 70 CEIDHN CC(C)c1ccccc1OCCNC(=O)[C@H](N)C(C)C ZINC000159840557 188443881 /nfs/dbraw/zinc/44/38/81/188443881.db2.gz OPAGMGCXFTVYKP-OAHLLOKOSA-N 0 3 278.396 2.288 20 70 CEIDHN CC(C)CC[C@@](C)(O)CN[C@@H](C)c1cnccn1 ZINC000159375148 366907262 /nfs/dbraw/zinc/90/72/62/366907262.db2.gz LRXQGTFJFUUWBM-GXTWGEPZSA-N 0 3 251.374 2.314 20 70 CEIDHN CCc1cccc2c(CCNC(=O)[C@@H](N)CC)c[nH]c21 ZINC000159373541 366907966 /nfs/dbraw/zinc/90/79/66/366907966.db2.gz DQLQBPLWVZWROT-AWEZNQCLSA-N 0 3 273.380 2.126 20 70 CEIDHN CCCN(CCCc1cccc(OC)c1)CC(=O)N(C)C ZINC000159497535 366919909 /nfs/dbraw/zinc/91/99/09/366919909.db2.gz NKCDEGNYMZHLCQ-UHFFFAOYSA-N 0 3 292.423 2.428 20 70 CEIDHN CCC[C@H](N)C(=O)NCCc1c[nH]c2c1cccc2C ZINC000159560198 366926822 /nfs/dbraw/zinc/92/68/22/366926822.db2.gz FJRPSCUIQPKWEN-AWEZNQCLSA-N 0 3 273.380 2.262 20 70 CEIDHN CCN1CCCN(C(=O)N[C@H](C)Cc2cccs2)CC1 ZINC000159640698 366934072 /nfs/dbraw/zinc/93/40/72/366934072.db2.gz LKLFMKZKJUMHRA-CYBMUJFWSA-N 0 3 295.452 2.416 20 70 CEIDHN Cc1c([C@H](C)NCCO)cnn1-c1cc(C)ccc1C ZINC000159677050 366938500 /nfs/dbraw/zinc/93/85/00/366938500.db2.gz XTMXVCHDNGDXQG-ZDUSSCGKSA-N 0 3 273.380 2.440 20 70 CEIDHN CCN(C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000160087341 366971878 /nfs/dbraw/zinc/97/18/78/366971878.db2.gz HAFFHJBFNVPPNW-UKRRQHHQSA-N 0 3 275.396 2.311 20 70 CEIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cnccn1 ZINC000160216230 366983386 /nfs/dbraw/zinc/98/33/86/366983386.db2.gz CKPLDCWZSVTQDF-ZFWWWQNUSA-N 0 3 268.364 2.409 20 70 CEIDHN Cc1cccc([C@H](C)NCC(=O)NCC(F)(F)F)c1 ZINC000160265132 366987467 /nfs/dbraw/zinc/98/74/67/366987467.db2.gz XVJYCMDNFGDEPM-JTQLQIEISA-N 0 3 274.286 2.324 20 70 CEIDHN C[C@H]1CCCN(CCNC(=O)NC[C@]2(C)CCCS2)C1 ZINC000160276794 366989275 /nfs/dbraw/zinc/98/92/75/366989275.db2.gz QRMSIFVVAVLFDT-ZFWWWQNUSA-N 0 3 299.484 2.303 20 70 CEIDHN FC(F)(F)c1nnc(NCCCN2CCCC2)s1 ZINC000160332179 366995040 /nfs/dbraw/zinc/99/50/40/366995040.db2.gz HQZCSWIVQIIGBF-UHFFFAOYSA-N 0 3 280.319 2.455 20 70 CEIDHN CC[C@@](C)(O)CNCc1cncc(Br)c1 ZINC000160583252 367019703 /nfs/dbraw/zinc/01/97/03/367019703.db2.gz JAVVADFDZGVBQF-LLVKDONJSA-N 0 3 273.174 2.095 20 70 CEIDHN CSCC[C@H](N)C(=O)N1CCc2c1cccc2Cl ZINC000160591597 367021579 /nfs/dbraw/zinc/02/15/79/367021579.db2.gz FAMSTFPXXLMERL-NSHDSACASA-N 0 3 284.812 2.310 20 70 CEIDHN C[C@H](CNC(=O)[C@H]1CCCCN1)Oc1ccc(Cl)cc1 ZINC000161133736 367060810 /nfs/dbraw/zinc/06/08/10/367060810.db2.gz VHCOBVOXGJDIDK-BXUZGUMPSA-N 0 3 296.798 2.366 20 70 CEIDHN CCc1ncnc(N[C@@H](C)CN2CCCCC2)c1F ZINC000217970794 130764237 /nfs/dbraw/zinc/76/42/37/130764237.db2.gz XEZQVTKJTGUXDI-NSHDSACASA-N 0 3 266.364 2.464 20 70 CEIDHN CC(C)[C@H](N)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000161397157 395064484 /nfs/dbraw/zinc/06/44/84/395064484.db2.gz DDBYELDTSRODCD-OCCSQVGLSA-N 0 3 276.380 2.388 20 70 CEIDHN CSC[C@](C)(O)CNCc1c[nH]nc1-c1ccc(C)o1 ZINC000217844118 153297656 /nfs/dbraw/zinc/29/76/56/153297656.db2.gz AFZYOMMZCYZVKG-CQSZACIVSA-N 0 3 295.408 2.182 20 70 CEIDHN CCO[C@H]1C[C@@H](NC(=O)[C@@H](N)CC(C)C)C12CCCC2 ZINC000159558900 286483876 /nfs/dbraw/zinc/48/38/76/286483876.db2.gz JVNTURLEVSYMMW-MJBXVCDLSA-N 0 3 282.428 2.214 20 70 CEIDHN c1cn(CCN2CCC[C@H]2c2ccc3c(c2)OCO3)cn1 ZINC000159804757 162315046 /nfs/dbraw/zinc/31/50/46/162315046.db2.gz IJUAQUGCIHSJPX-AWEZNQCLSA-N 0 3 285.347 2.449 20 70 CEIDHN c1cn(CCN2CCC[C@@H]2c2ccc3c(c2)OCO3)cn1 ZINC000159804865 162316023 /nfs/dbraw/zinc/31/60/23/162316023.db2.gz IJUAQUGCIHSJPX-CQSZACIVSA-N 0 3 285.347 2.449 20 70 CEIDHN CCC[C@@H](N)C(=O)N1CCC[C@H]1COc1ccccc1 ZINC000159846438 162317070 /nfs/dbraw/zinc/31/70/70/162317070.db2.gz SJAPISDFYUFGEP-DZGCQCFKSA-N 0 3 276.380 2.184 20 70 CEIDHN CCCCNC(=O)[C@H]1CCCN(CCOCC2CC2)C1 ZINC000159884542 162317258 /nfs/dbraw/zinc/31/72/58/162317258.db2.gz KECFCEYQXLLQMH-HNNXBMFYSA-N 0 3 282.428 2.041 20 70 CEIDHN COC(=O)c1occc1CN[C@@H]1CCOC(C)(C)C1 ZINC000159944398 162317861 /nfs/dbraw/zinc/31/78/61/162317861.db2.gz HLDYRKLFABVJKB-LLVKDONJSA-N 0 3 267.325 2.113 20 70 CEIDHN Cc1nc2ccccn2c1CN1CCCC[C@H]1[C@@H](C)O ZINC000160211035 162326444 /nfs/dbraw/zinc/32/64/44/162326444.db2.gz GXGLPWCWKILWDQ-KGLIPLIRSA-N 0 3 273.380 2.378 20 70 CEIDHN CCN1CCC[C@H]1CNc1nnc(C(F)(F)F)s1 ZINC000160320268 162328679 /nfs/dbraw/zinc/32/86/79/162328679.db2.gz OBWQWJPDJISRFY-ZETCQYMHSA-N 0 3 280.319 2.453 20 70 CEIDHN CC1CCN(C(=O)N(C)CC2CCN(C)CC2)CC1 ZINC000160562710 520981546 /nfs/dbraw/zinc/98/15/46/520981546.db2.gz KPWYOUJMBXPROC-UHFFFAOYSA-N 0 3 267.417 2.112 20 70 CEIDHN CSCC[C@@H](C)N(C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160701578 344460656 /nfs/dbraw/zinc/46/06/56/344460656.db2.gz HMBSXDRDDOLKFU-OCCSQVGLSA-N 0 3 299.484 2.254 20 70 CEIDHN CC[C@H]1CCCCN1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160740536 344461278 /nfs/dbraw/zinc/46/12/78/344461278.db2.gz LWUSZKJNYHJXFO-GJZGRUSLSA-N 0 3 279.428 2.445 20 70 CEIDHN CC(C)[C@H](C(=O)N(C)CCOc1ccccc1F)N(C)C ZINC000160108221 188456108 /nfs/dbraw/zinc/45/61/08/188456108.db2.gz ZARRBTUJKVLHSX-OAHLLOKOSA-N 0 3 296.386 2.249 20 70 CEIDHN CC(C)CCN(C)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160265189 540114602 /nfs/dbraw/zinc/11/46/02/540114602.db2.gz GFGWXRBFVFJVAJ-DVOMOZLQSA-N 0 3 282.428 2.023 20 70 CEIDHN CCO[C@H]1C[C@@H](NCC(=O)NC(C)(C)C)C12CCCC2 ZINC000159865181 540434318 /nfs/dbraw/zinc/43/43/18/540434318.db2.gz UABPBRDZSCYCHF-OLZOCXBDSA-N 0 3 282.428 2.229 20 70 CEIDHN CC[C@H](NCCC(C)(C)O)c1c(C)nn(C)c1C ZINC000159718427 366941741 /nfs/dbraw/zinc/94/17/41/366941741.db2.gz QTGPFIYEBBDGND-LBPRGKRZSA-N 0 3 253.390 2.239 20 70 CEIDHN CNC(=O)[C@H]1CCCN(CCC(=O)c2ccc(C)cc2)C1 ZINC000159612980 366932395 /nfs/dbraw/zinc/93/23/95/366932395.db2.gz ZWNHWSAJXMYPDS-HNNXBMFYSA-N 0 3 288.391 2.026 20 70 CEIDHN CC(C)C[C@H](C)NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000159995623 366963762 /nfs/dbraw/zinc/96/37/62/366963762.db2.gz QEGVEBUOQYABDT-XQQFMLRXSA-N 0 3 267.417 2.345 20 70 CEIDHN O=C(NCc1ccccc1OCC1CC1)[C@H]1CCCCN1 ZINC000160099281 366972641 /nfs/dbraw/zinc/97/26/41/366972641.db2.gz CCXZJXQNTPIZHX-OAHLLOKOSA-N 0 3 288.391 2.234 20 70 CEIDHN CN(C(=O)NC1CCCCC1)[C@@H]1CCCN(C)C1 ZINC000160515431 367012435 /nfs/dbraw/zinc/01/24/35/367012435.db2.gz TYCHKNVNIJNUDF-CYBMUJFWSA-N 0 3 253.390 2.055 20 70 CEIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000160527649 367013961 /nfs/dbraw/zinc/01/39/61/367013961.db2.gz OYMDTMOQCBLABW-NEPJUHHUSA-N 0 3 285.432 2.367 20 70 CEIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)NC1CCCC1 ZINC000159671005 395059521 /nfs/dbraw/zinc/05/95/21/395059521.db2.gz CNBJACNPFNKISE-JSGCOSHPSA-N 0 3 250.386 2.310 20 70 CEIDHN CC(C)Cc1ncc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)s1 ZINC000159708757 162311759 /nfs/dbraw/zinc/31/17/59/162311759.db2.gz ZNZWVCTXLFOTAR-RYUDHWBXSA-N 0 3 295.452 2.427 20 70 CEIDHN COc1ccc2c(c1)[C@H](N[C@@H](CCO)CSC)CC2 ZINC000160219669 162326231 /nfs/dbraw/zinc/32/62/31/162326231.db2.gz FUEWKLMVJTUOPR-SWLSCSKDSA-N 0 3 281.421 2.386 20 70 CEIDHN CC(C)C[C@H]1CCCCN1C(=O)[C@]1(F)CCNC1 ZINC000160876946 275599255 /nfs/dbraw/zinc/59/92/55/275599255.db2.gz GHSMIOZIJDBDNQ-OCCSQVGLSA-N 0 3 256.365 2.115 20 70 CEIDHN COC(CN1CC[C@@H](Cc2ccc(F)cc2)C1)OC ZINC000161174369 277178407 /nfs/dbraw/zinc/17/84/07/277178407.db2.gz VIRHYLAWVJZZGA-ZDUSSCGKSA-N 0 3 267.344 2.309 20 70 CEIDHN CCn1ccnc1CNCCCN(C)C(=O)OC(C)(C)C ZINC000217799439 280209828 /nfs/dbraw/zinc/20/98/28/280209828.db2.gz HPINGHQYLWLOJX-UHFFFAOYSA-N 0 3 296.415 2.250 20 70 CEIDHN CN[C@@H](C)C(=O)Nc1ccc(F)c(Br)c1 ZINC000159956771 312635833 /nfs/dbraw/zinc/63/58/33/312635833.db2.gz BAEGIQFUYSUHLQ-LURJTMIESA-N 0 3 275.121 2.135 20 70 CEIDHN CCOC[C@H](C)NCc1cncc(Br)c1 ZINC000160569444 520138076 /nfs/dbraw/zinc/13/80/76/520138076.db2.gz NOHNXILYAUHSDA-VIFPVBQESA-N 0 3 273.174 2.359 20 70 CEIDHN CC[C@H](NC[C@H]1CC[C@H](C(N)=O)O1)c1ccc(F)cc1F ZINC000160783647 522636470 /nfs/dbraw/zinc/63/64/70/522636470.db2.gz KGLNMYJTJGQGJF-DDTOSNHZSA-N 0 3 298.333 2.038 20 70 CEIDHN C[C@H](N[C@@H](C)c1ccccc1-n1cccn1)C(=O)NC1CC1 ZINC000160821975 525533339 /nfs/dbraw/zinc/53/33/39/525533339.db2.gz GXIIWIXVJSQKBG-STQMWFEESA-N 0 3 298.390 2.190 20 70 CEIDHN O=C(c1cc(-c2ccccc2)[nH]n1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160532254 526589802 /nfs/dbraw/zinc/58/98/02/526589802.db2.gz BJUSVLSFTLKDCW-OKILXGFUSA-N 0 3 296.374 2.043 20 70 CEIDHN CSCC[C@H](C)N(C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160701187 344460681 /nfs/dbraw/zinc/46/06/81/344460681.db2.gz HMBSXDRDDOLKFU-GXTWGEPZSA-N 0 3 299.484 2.254 20 70 CEIDHN CCCn1nccc1CNCC1(O)CCC(C)CC1 ZINC000160161425 540112681 /nfs/dbraw/zinc/11/26/81/540112681.db2.gz GUSDLCYPDOENOP-UHFFFAOYSA-N 0 3 265.401 2.324 20 70 CEIDHN CS(=O)(=O)CCCCN1CCC[C@@H]2CCCC[C@@H]21 ZINC000161276850 540136636 /nfs/dbraw/zinc/13/66/36/540136636.db2.gz SHDBLOZHVBBXMH-KBPBESRZSA-N 0 3 273.442 2.466 20 70 CEIDHN CCO[C@@H]1C[C@H](NCC(=O)NC(C)(C)C)C12CCCC2 ZINC000159864811 540434346 /nfs/dbraw/zinc/43/43/46/540434346.db2.gz UABPBRDZSCYCHF-QWHCGFSZSA-N 0 3 282.428 2.229 20 70 CEIDHN CCN(CCCCS(C)(=O)=O)Cc1ccc(OC)cc1 ZINC000161485496 540840723 /nfs/dbraw/zinc/84/07/23/540840723.db2.gz UMTUNXBFCMYYLV-UHFFFAOYSA-N 0 3 299.436 2.342 20 70 CEIDHN CC(C)CCOCCNC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159711007 366941678 /nfs/dbraw/zinc/94/16/78/366941678.db2.gz BKFBOFJEISXIKV-HOTGVXAUSA-N 0 3 296.455 2.430 20 70 CEIDHN CC(C)[C@H](C(=O)NCCCOC1CCCCC1)N(C)C ZINC000159503820 366918762 /nfs/dbraw/zinc/91/87/62/366918762.db2.gz ZGGVXCIPEHTXAB-OAHLLOKOSA-N 0 3 284.444 2.428 20 70 CEIDHN CCC[C@@H](N)C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 ZINC000159497189 366919514 /nfs/dbraw/zinc/91/95/14/366919514.db2.gz UJNPKTGXMHJENV-CQSZACIVSA-N 0 3 291.395 2.199 20 70 CEIDHN COc1ccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1O ZINC000159514809 366921248 /nfs/dbraw/zinc/92/12/48/366921248.db2.gz WHJVGXYNEIEXAL-RCBQFDQVSA-N 0 3 289.375 2.448 20 70 CEIDHN CC(C)c1ncc(CN2C[C@H](C(N)=O)CC[C@H]2C)s1 ZINC000159523734 366922610 /nfs/dbraw/zinc/92/26/10/366922610.db2.gz ZYNPDVITEJYPQU-GHMZBOCLSA-N 0 3 281.425 2.352 20 70 CEIDHN CCN1CCC(NC(=O)C2(CCOC)CCCC2)CC1 ZINC000159584504 366929452 /nfs/dbraw/zinc/92/94/52/366929452.db2.gz ATFMYAYCHUQWRA-UHFFFAOYSA-N 0 3 282.428 2.184 20 70 CEIDHN CC(C)C[C@H](NC(=O)C1(N)CCCCC1)C(=O)OC(C)C ZINC000160147772 366976677 /nfs/dbraw/zinc/97/66/77/366976677.db2.gz NTYFJUPQVOHYEA-ZDUSSCGKSA-N 0 3 298.427 2.131 20 70 CEIDHN Cc1ccc2c(c1)[C@@H](NCC(=O)NCC(F)(F)F)CC2 ZINC000160593893 367021562 /nfs/dbraw/zinc/02/15/62/367021562.db2.gz MYUSHOHJSBGTEO-LBPRGKRZSA-N 0 3 286.297 2.250 20 70 CEIDHN CCN(Cc1ccc(OC)cc1)CC(OC)OC ZINC000160613128 367022388 /nfs/dbraw/zinc/02/23/88/367022388.db2.gz HRFPWYDFQLKAPI-UHFFFAOYSA-N 0 3 253.342 2.136 20 70 CEIDHN COC(CN1CCC([C@H](O)c2ccccc2)CC1)OC ZINC000160445163 367007019 /nfs/dbraw/zinc/00/70/19/367007019.db2.gz OWDAPYVKIJSOQA-MRXNPFEDSA-N 0 3 279.380 2.051 20 70 CEIDHN CC(C)CSCCCNC(=O)CN(C)C(C)C ZINC000160867757 367039671 /nfs/dbraw/zinc/03/96/71/367039671.db2.gz XOEUUAFUNWAELO-UHFFFAOYSA-N 0 3 260.447 2.222 20 70 CEIDHN C[C@@H]1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C[C@H]1C ZINC000160911380 367043103 /nfs/dbraw/zinc/04/31/03/367043103.db2.gz WTLUSCLFTBHSRF-MNLSVMLLSA-N 0 3 294.439 2.023 20 70 CEIDHN CCCN(CCO)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000161200061 367066848 /nfs/dbraw/zinc/06/68/48/367066848.db2.gz VVDDWYRIOIRDIP-UHFFFAOYSA-N 0 3 263.341 2.182 20 70 CEIDHN COC(CN1CCC([C@@H](O)c2ccc(F)cc2)CC1)OC ZINC000161023989 284655407 /nfs/dbraw/zinc/65/54/07/284655407.db2.gz OGSHDAHTSNTVQF-INIZCTEOSA-N 0 3 297.370 2.190 20 70 CEIDHN CCCCN(CC)C(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160797358 395061819 /nfs/dbraw/zinc/06/18/19/395061819.db2.gz SQAQKCIMSBMDJY-NVXWUHKLSA-N 0 3 296.455 2.262 20 70 CEIDHN CC(C)C[C@@H]1CCCCN1C(=O)[C@]1(F)CCNC1 ZINC000160876826 395061975 /nfs/dbraw/zinc/06/19/75/395061975.db2.gz GHSMIOZIJDBDNQ-JSGCOSHPSA-N 0 3 256.365 2.115 20 70 CEIDHN CSCCCCC(=O)NCCN1CCC(C)CC1 ZINC000159879223 162315152 /nfs/dbraw/zinc/31/51/52/162315152.db2.gz NLTPNOTWYJSIKG-UHFFFAOYSA-N 0 3 272.458 2.368 20 70 CEIDHN NC1(C(=O)NC[C@H]2CCc3ccccc32)CCCCC1 ZINC000159733671 162313287 /nfs/dbraw/zinc/31/32/87/162313287.db2.gz CDDAVSSJPKIIHP-CQSZACIVSA-N 0 3 272.392 2.494 20 70 CEIDHN Cc1cccc([C@H](C)NC[C@@H](O)COCC2CC2)c1 ZINC000160245193 162324996 /nfs/dbraw/zinc/32/49/96/162324996.db2.gz YWUFRVLIGQUHIZ-XJKSGUPXSA-N 0 3 263.381 2.433 20 70 CEIDHN COc1ccc2c(c1)[C@@H](N[C@@H](CCO)CSC)CC2 ZINC000160219840 162326284 /nfs/dbraw/zinc/32/62/84/162326284.db2.gz FUEWKLMVJTUOPR-WFASDCNBSA-N 0 3 281.421 2.386 20 70 CEIDHN CC[C@]1(C)CCCN(C(=O)[C@@H](N)CCSC)C1 ZINC000160778707 276652172 /nfs/dbraw/zinc/65/21/72/276652172.db2.gz FGWFUHCFNWKHQL-WCQYABFASA-N 0 3 258.431 2.106 20 70 CEIDHN COc1ccc2c(c1)[C@@H](N[C@@H]1CCc3nc(C)nn3C1)CC2 ZINC000160386608 277984175 /nfs/dbraw/zinc/98/41/75/277984175.db2.gz HNZOCAPNRRFGDH-CJNGLKHVSA-N 0 3 298.390 2.187 20 70 CEIDHN Cc1ccccc1NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160053017 281351375 /nfs/dbraw/zinc/35/13/75/281351375.db2.gz CUPXMSYPFXIVAM-HACGYAERSA-N 0 3 288.391 2.466 20 70 CEIDHN CC(C)(C)NC(=O)NCC(C)(C)N1CCCCC1 ZINC000159695193 297429963 /nfs/dbraw/zinc/42/99/63/297429963.db2.gz UYJDVZQKPPYJQC-UHFFFAOYSA-N 0 3 255.406 2.349 20 70 CEIDHN C[C@H](NC(=O)c1ccc(CN(C)C)cc1)[C@@H]1CCCO1 ZINC000160120718 297433570 /nfs/dbraw/zinc/43/35/70/297433570.db2.gz WZJHENPAEOHIBE-WFASDCNBSA-N 0 3 276.380 2.046 20 70 CEIDHN O=C(NCCNCc1ccc(C(F)F)cc1)C1CC1 ZINC000160697582 312639548 /nfs/dbraw/zinc/63/95/48/312639548.db2.gz XDFMZSBIXUPFRY-UHFFFAOYSA-N 0 3 268.307 2.240 20 70 CEIDHN CCCCN(CC)C(=O)CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160797474 520458431 /nfs/dbraw/zinc/45/84/31/520458431.db2.gz SQAQKCIMSBMDJY-WBVHZDCISA-N 0 3 296.455 2.262 20 70 CEIDHN CC[C@H](NCC(=O)NC(C)C)c1cccc(OC)c1 ZINC000160923312 522565627 /nfs/dbraw/zinc/56/56/27/522565627.db2.gz XARPZTMMGKYNNT-AWEZNQCLSA-N 0 3 264.369 2.261 20 70 CEIDHN CSC[C@H](CCO)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000160399555 525702110 /nfs/dbraw/zinc/70/21/10/525702110.db2.gz UPYFSEWUCZTTOE-PWSUYJOCSA-N 0 3 283.393 2.180 20 70 CEIDHN CCC(CC)CNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000160568613 344459405 /nfs/dbraw/zinc/45/94/05/344459405.db2.gz JKYKWFILBXMDQA-CYBMUJFWSA-N 0 3 255.406 2.158 20 70 CEIDHN C[C@@H]1CCCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000160653326 344460627 /nfs/dbraw/zinc/46/06/27/344460627.db2.gz KATIKZINILXEJV-HIFRSBDPSA-N 0 3 279.428 2.302 20 70 CEIDHN CSCC[C@H](C)N(C)C(=O)[C@@H]1CNCc2ccccc21 ZINC000161267335 344463464 /nfs/dbraw/zinc/46/34/64/344463464.db2.gz ZDFLCEKNLCQIIH-SWLSCSKDSA-N 0 3 292.448 2.473 20 70 CEIDHN CCN(CCNCc1cnc2ccccc2n1)C1CC1 ZINC000218319274 344536361 /nfs/dbraw/zinc/53/63/61/344536361.db2.gz WJZWEXZDVLQLHC-UHFFFAOYSA-N 0 3 270.380 2.204 20 70 CEIDHN Cc1cc(F)ccc1CN1CCC(CC(N)=O)CC1 ZINC000159791033 188442107 /nfs/dbraw/zinc/44/21/07/188442107.db2.gz HAVYPOOPPDJIHC-UHFFFAOYSA-N 0 3 264.344 2.222 20 70 CEIDHN Cc1ccc(OC[C@H](O)CNCCOC(C)C)c(C)c1 ZINC000160200419 540113256 /nfs/dbraw/zinc/11/32/56/540113256.db2.gz FRSQXCTYQGIYFW-OAHLLOKOSA-N 0 3 281.396 2.058 20 70 CEIDHN CCN1CCCN(C(=O)N[C@@H](C)c2c(C)noc2C)CC1 ZINC000159860891 540434455 /nfs/dbraw/zinc/43/44/55/540434455.db2.gz OFPSIQLWNNXHIL-NSHDSACASA-N 0 3 294.399 2.090 20 70 CEIDHN OCCN[C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000159723266 366943573 /nfs/dbraw/zinc/94/35/73/366943573.db2.gz NBFHJFWWJNAVRF-LLVKDONJSA-N 0 3 261.243 2.154 20 70 CEIDHN OC[C@@H](Cc1ccccc1)NCc1cccc2c1NCC2 ZINC000159414799 366909594 /nfs/dbraw/zinc/90/95/94/366909594.db2.gz CKTRANYREBPKJI-QGZVFWFLSA-N 0 3 282.387 2.348 20 70 CEIDHN CC(C)c1ncc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)s1 ZINC000159523606 366922799 /nfs/dbraw/zinc/92/27/99/366922799.db2.gz ZYNPDVITEJYPQU-QWRGUYRKSA-N 0 3 281.425 2.352 20 70 CEIDHN C[C@@H](CN1CCCCC1)NC(=O)NCC1(C2CC2)CC1 ZINC000159616112 366932341 /nfs/dbraw/zinc/93/23/41/366932341.db2.gz OOJWFPSIBQMAHE-ZDUSSCGKSA-N 0 3 279.428 2.350 20 70 CEIDHN CC[C@@H](NC(=O)N1CCCN(CC)CC1)c1ccncc1 ZINC000159898241 366958035 /nfs/dbraw/zinc/95/80/35/366958035.db2.gz MAWLCSJJUHIFTP-OAHLLOKOSA-N 0 3 290.411 2.270 20 70 CEIDHN C[C@]1(NCc2ccc(Br)cn2)CCOC1 ZINC000160189766 366981226 /nfs/dbraw/zinc/98/12/26/366981226.db2.gz HQJQVSHZBWSPBR-NSHDSACASA-N 0 3 271.158 2.113 20 70 CEIDHN CC[C@@](C)(CO)NCc1cncc(Br)c1 ZINC000160580926 367019189 /nfs/dbraw/zinc/01/91/89/367019189.db2.gz JICACVJCBJPMEQ-NSHDSACASA-N 0 3 273.174 2.095 20 70 CEIDHN C[C@H](CCCO)NCc1cncc(Br)c1 ZINC000160588551 367021293 /nfs/dbraw/zinc/02/12/93/367021293.db2.gz HMLFBUFCHVVVPX-SECBINFHSA-N 0 3 273.174 2.095 20 70 CEIDHN CC(C)[C@H](N)C(=O)N1CCc2c1cccc2Cl ZINC000160591442 367021354 /nfs/dbraw/zinc/02/13/54/367021354.db2.gz GKUCJAJNOKJIMS-LBPRGKRZSA-N 0 3 252.745 2.212 20 70 CEIDHN CC(C)[C@H](N)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160398038 367002301 /nfs/dbraw/zinc/00/23/01/367002301.db2.gz ZXKYAHSCDBIQEF-HIFRSBDPSA-N 0 3 278.371 2.200 20 70 CEIDHN CSCC[C@H](N)C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000160890302 367041031 /nfs/dbraw/zinc/04/10/31/367041031.db2.gz NMDVLVMDBGRXNO-SCRDCRAPSA-N 0 3 280.437 2.375 20 70 CEIDHN C[C@H](N)C(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000160999292 367048400 /nfs/dbraw/zinc/04/84/00/367048400.db2.gz BYLLZUSKBSTSTK-NSHDSACASA-N 0 3 294.420 2.385 20 70 CEIDHN C[C@@H](O)C(C)(C)NCc1cnn(-c2ccccc2)c1 ZINC000161138538 367060936 /nfs/dbraw/zinc/06/09/36/367060936.db2.gz SJMXCGIERHCZPT-GFCCVEGCSA-N 0 3 259.353 2.121 20 70 CEIDHN Cn1nc(CNCCCOCC2CC2)c2ccccc21 ZINC000218080455 370205499 /nfs/dbraw/zinc/20/54/99/370205499.db2.gz XERMOBICDFUEIM-UHFFFAOYSA-N 0 3 273.380 2.480 20 70 CEIDHN CCN1CCCN(C(=O)NC[C@@]2(C)CCCS2)CC1 ZINC000159979733 285210784 /nfs/dbraw/zinc/21/07/84/285210784.db2.gz NQRXOCBBDIEQGV-CQSZACIVSA-N 0 3 285.457 2.009 20 70 CEIDHN CCN1CCCN(C(=O)NC[C@]2(C)CCCS2)CC1 ZINC000159979593 285210791 /nfs/dbraw/zinc/21/07/91/285210791.db2.gz NQRXOCBBDIEQGV-AWEZNQCLSA-N 0 3 285.457 2.009 20 70 CEIDHN CC(C)[C@@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000159585626 395058610 /nfs/dbraw/zinc/05/86/10/395058610.db2.gz AYUNVERSTCYWGH-ZBFHGGJFSA-N 0 3 272.392 2.378 20 70 CEIDHN CSCC[C@@H](N)C(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000161049667 400283826 /nfs/dbraw/zinc/28/38/26/400283826.db2.gz LKVHUFGOBHDYSQ-SNVBAGLBSA-N 0 3 284.429 2.017 20 70 CEIDHN C[C@H](NCCN(C)Cc1ccc(F)cc1)c1cnccn1 ZINC000160121731 162323554 /nfs/dbraw/zinc/32/35/54/162323554.db2.gz CJQLNQIIUVQHKE-ZDUSSCGKSA-N 0 3 288.370 2.398 20 70 CEIDHN CC(C)[C@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000159585517 276027468 /nfs/dbraw/zinc/02/74/68/276027468.db2.gz AYUNVERSTCYWGH-GOEBONIOSA-N 0 3 272.392 2.378 20 70 CEIDHN CS[C@@H](C)CC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000160606972 297439054 /nfs/dbraw/zinc/43/90/54/297439054.db2.gz OEJGGZPSBMYPFR-ZFWWWQNUSA-N 0 3 294.464 2.417 20 70 CEIDHN CCCN1CCCN(C(=O)CSC(C)(C)C)CC1 ZINC000160356520 519848511 /nfs/dbraw/zinc/84/85/11/519848511.db2.gz MKKMSJACJSEWOM-UHFFFAOYSA-N 0 3 272.458 2.462 20 70 CEIDHN CCN1CCC(N(C)C(=O)c2ccnn2C(C)C)CC1 ZINC000161233275 521557831 /nfs/dbraw/zinc/55/78/31/521557831.db2.gz LBOMYOMHVVCRTN-UHFFFAOYSA-N 0 3 278.400 2.020 20 70 CEIDHN CC[C@@H](C)c1cc(C(=O)NC[C@H]2CCN(C3CC3)C2)on1 ZINC000161341262 522420637 /nfs/dbraw/zinc/42/06/37/522420637.db2.gz LURNNPUCNBICDB-VXGBXAGGSA-N 0 3 291.395 2.402 20 70 CEIDHN C[C@H](NCC(C)(C)O)c1ccc(-n2cncn2)cc1Cl ZINC000160630162 525309409 /nfs/dbraw/zinc/30/94/09/525309409.db2.gz JERQEPDIJXGLNZ-JTQLQIEISA-N 0 3 294.786 2.342 20 70 CEIDHN C[C@@H](NC[C@@H]1CC(=O)Nc2ccccc21)c1cnccn1 ZINC000160609474 525477950 /nfs/dbraw/zinc/47/79/50/525477950.db2.gz BHSOUZZVUAAMBP-NEPJUHHUSA-N 0 3 282.347 2.253 20 70 CEIDHN Cc1nc2ccccn2c1CN(C)C[C@H]1CCOC1 ZINC000160966188 527175179 /nfs/dbraw/zinc/17/51/79/527175179.db2.gz XBLPVRPAGZQIEN-CYBMUJFWSA-N 0 3 259.353 2.111 20 70 CEIDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCC1CCCCC1 ZINC000160120066 527850332 /nfs/dbraw/zinc/85/03/32/527850332.db2.gz XPQROPKZTQYEHM-VBQJREDUSA-N 0 3 294.439 2.215 20 70 CEIDHN C[C@@H](C(=O)N[C@H]1CCN(CC2CC2)C1)c1ccsc1 ZINC000159497243 344454993 /nfs/dbraw/zinc/45/49/93/344454993.db2.gz HUOJCMYGUMMOOU-RISCZKNCSA-N 0 3 278.421 2.452 20 70 CEIDHN Cc1cccc(C)c1OC[C@@H](O)CNCCOC(C)C ZINC000160202486 540113327 /nfs/dbraw/zinc/11/33/27/540113327.db2.gz PYELINCYGNHQPO-HNNXBMFYSA-N 0 3 281.396 2.058 20 70 CEIDHN Cc1ccc(C)c(OC[C@H](O)CNCCOC(C)C)c1 ZINC000160210861 540113517 /nfs/dbraw/zinc/11/35/17/540113517.db2.gz ZHVKIDZGVVBFTO-OAHLLOKOSA-N 0 3 281.396 2.058 20 70 CEIDHN Cc1ccc(NC(=O)NCCN2CCC(C)CC2)cn1 ZINC000161390066 540808278 /nfs/dbraw/zinc/80/82/78/540808278.db2.gz FZSSORVSOLYILZ-UHFFFAOYSA-N 0 3 276.384 2.243 20 70 CEIDHN CS[C@H](C)CNC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000159751624 366944251 /nfs/dbraw/zinc/94/42/51/366944251.db2.gz SLSKCDKMIFRORQ-YNEHKIRRSA-N 0 3 287.473 2.158 20 70 CEIDHN C[C@@H](C1CC1)N(C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000159650673 366935871 /nfs/dbraw/zinc/93/58/71/366935871.db2.gz YQAJEORUMKDAOD-NSHDSACASA-N 0 3 292.427 2.386 20 70 CEIDHN CCN1CCCN(C(=O)NCc2cc(F)ccc2F)CC1 ZINC000159824667 366950987 /nfs/dbraw/zinc/95/09/87/366950987.db2.gz XOFIHOBHXOBKOI-UHFFFAOYSA-N 0 3 297.349 2.202 20 70 CEIDHN COC(=O)CCCN(C)Cc1cccc(N(C)C)c1 ZINC000159870652 366956828 /nfs/dbraw/zinc/95/68/28/366956828.db2.gz ZDZFASDQMHGMOV-UHFFFAOYSA-N 0 3 264.369 2.138 20 70 CEIDHN Cc1cccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000160049211 366968675 /nfs/dbraw/zinc/96/86/75/366968675.db2.gz DVHRPHRXPZRVKD-GRDNDAEWSA-N 0 3 288.391 2.466 20 70 CEIDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCC1CCCC1 ZINC000160232272 366985824 /nfs/dbraw/zinc/98/58/24/366985824.db2.gz VSKXPBKILPRJOM-VBQJREDUSA-N 0 3 294.439 2.215 20 70 CEIDHN C[C@H]1OCCN(CC2CCN(C(=O)C(C)(C)C)CC2)[C@@H]1C ZINC000160284409 366990325 /nfs/dbraw/zinc/99/03/25/366990325.db2.gz DZQWTLJWFSRKES-ZIAGYGMSSA-N 0 3 296.455 2.380 20 70 CEIDHN Cc1cc(C)cc(CCNC(=O)[C@@H](N)C(C)(C)C)c1 ZINC000160590600 367020515 /nfs/dbraw/zinc/02/05/15/367020515.db2.gz KURSVXXWGLGGRG-CQSZACIVSA-N 0 3 262.397 2.336 20 70 CEIDHN CC[C@H](c1ccccc1)S(=O)(=O)C(C)C(=O)NC1CC1 ZINC000160604422 367022727 /nfs/dbraw/zinc/02/27/27/367022727.db2.gz ONJRQHOMTYIYEX-SMDDNHRTSA-N 0 3 295.404 2.220 20 70 CEIDHN COc1ccc([C@@H](C)NCC(C)(C)O)cc1NC(C)=O ZINC000160637445 367023521 /nfs/dbraw/zinc/02/35/21/367023521.db2.gz UFHNQKJJJIGEHO-SNVBAGLBSA-N 0 3 280.368 2.075 20 70 CEIDHN COc1ccc([C@H](C)N(C)CC(OC)OC)cc1 ZINC000160360346 366998240 /nfs/dbraw/zinc/99/82/40/366998240.db2.gz SDVVPDLZGPZMFX-NSHDSACASA-N 0 3 253.342 2.307 20 70 CEIDHN C[C@H](N[C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cccnc1 ZINC000160917654 367042178 /nfs/dbraw/zinc/04/21/78/367042178.db2.gz SGIMWXHFNUNEQW-FPMFFAJLSA-N 0 3 282.409 2.088 20 70 CEIDHN COc1ccc([C@@H](C)[C@@H](C)NCC(=O)NC(C)C)cc1 ZINC000160972271 367047093 /nfs/dbraw/zinc/04/70/93/367047093.db2.gz JRCCPBIXRKPTKY-QWHCGFSZSA-N 0 3 278.396 2.301 20 70 CEIDHN C[C@H](N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccncc1 ZINC000160986909 367048666 /nfs/dbraw/zinc/04/86/66/367048666.db2.gz XRGCLWWDSXMYMP-IACUBPJLSA-N 0 3 282.409 2.088 20 70 CEIDHN Cc1ccc(C[C@H](NCC(=O)NC(C)C)C2CC2)cc1 ZINC000161009253 367050079 /nfs/dbraw/zinc/05/00/79/367050079.db2.gz NBSPRUPJBIYFTG-INIZCTEOSA-N 0 3 274.408 2.430 20 70 CEIDHN CCn1cc([C@H](C)NC[C@H](O)c2cccc(OC)c2)cn1 ZINC000161339726 367080167 /nfs/dbraw/zinc/08/01/67/367080167.db2.gz ZRLOPPCMTZHXKS-LRDDRELGSA-N 0 3 289.379 2.296 20 70 CEIDHN CC[C@H](N)C(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000161098575 367056765 /nfs/dbraw/zinc/05/67/65/367056765.db2.gz CCKDHWSISVAKSD-BIGNPOOSSA-N 0 3 264.344 2.303 20 70 CEIDHN CC[C@@H](C(=O)N[C@H](C)Cc1ccccc1F)N(C)C ZINC000161128738 367059289 /nfs/dbraw/zinc/05/92/89/367059289.db2.gz HVPNNDOJIWGBKY-RISCZKNCSA-N 0 3 266.360 2.213 20 70 CEIDHN Cc1nc(CC(=O)NC2CCN(C3CC3)CC2)c(C)s1 ZINC000161247629 367071947 /nfs/dbraw/zinc/07/19/47/367071947.db2.gz KFXPVCGVXDZBIK-UHFFFAOYSA-N 0 3 293.436 2.045 20 70 CEIDHN CC(C)[C@@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000159585411 395058027 /nfs/dbraw/zinc/05/80/27/395058027.db2.gz AYUNVERSTCYWGH-GDBMZVCRSA-N 0 3 272.392 2.378 20 70 CEIDHN CCS[C@@H]1CCCCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000159766927 395059181 /nfs/dbraw/zinc/05/91/81/395059181.db2.gz JROAZFWNNXQALH-NEPJUHHUSA-N 0 3 258.431 2.104 20 70 CEIDHN COC(CN(Cc1ccccc1)[C@@H](CO)C(C)C)OC ZINC000161431635 292078831 /nfs/dbraw/zinc/07/88/31/292078831.db2.gz DODFALRNRZRSRA-HNNXBMFYSA-N 0 3 281.396 2.124 20 70 CEIDHN C[C@@H](N)C(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000161052099 400283922 /nfs/dbraw/zinc/28/39/22/400283922.db2.gz IVIBYVHORAUJAA-NXEZZACHSA-N 0 3 254.761 2.077 20 70 CEIDHN c1cnc(-c2noc([C@@H]3C[C@@H]4CCCC[C@H]4N3)n2)cn1 ZINC000218441976 400308490 /nfs/dbraw/zinc/30/84/90/400308490.db2.gz KDTJLCKHCNGXKN-AXFHLTTASA-N 0 3 271.324 2.120 20 70 CEIDHN c1cnc(-c2noc([C@@H]3C[C@H]4CCCC[C@H]4N3)n2)cn1 ZINC000218442040 400308692 /nfs/dbraw/zinc/30/86/92/400308692.db2.gz KDTJLCKHCNGXKN-MXWKQRLJSA-N 0 3 271.324 2.120 20 70 CEIDHN CCC[C@@H](N)C(=O)N1CCC[C@@H]1COc1ccccc1 ZINC000159846189 162316702 /nfs/dbraw/zinc/31/67/02/162316702.db2.gz SJAPISDFYUFGEP-UKRRQHHQSA-N 0 3 276.380 2.184 20 70 CEIDHN COC(=O)c1cc(CNCC2(CO)CCCC2)oc1C ZINC000160098253 162323076 /nfs/dbraw/zinc/32/30/76/162323076.db2.gz WRPVCRFXULAWQF-UHFFFAOYSA-N 0 3 281.352 2.017 20 70 CEIDHN COc1c(CNC[C@@H]2C[C@@H]3C=C[C@H]2C3)c(C)nn1C ZINC000160118361 162323670 /nfs/dbraw/zinc/32/36/70/162323670.db2.gz MPPFGCFSWUVSLZ-AGIUHOORSA-N 0 3 261.369 2.039 20 70 CEIDHN CC(C)C[C@@H]1CCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000159610824 275589367 /nfs/dbraw/zinc/58/93/67/275589367.db2.gz ROUQTQGHAGCEMI-JKSUJKDBSA-N 0 3 274.408 2.451 20 70 CEIDHN CC(C)C[C@H](N)C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000161071049 279178279 /nfs/dbraw/zinc/17/82/79/279178279.db2.gz BSPPDAZMYCADSC-IHRRRGAJSA-N 0 3 252.402 2.445 20 70 CEIDHN CCOCCC1(CNC(=O)CN(CC)CC)CCC1 ZINC000161393936 297444318 /nfs/dbraw/zinc/44/43/18/297444318.db2.gz CCESSHPKSKWAEC-UHFFFAOYSA-N 0 3 270.417 2.041 20 70 CEIDHN CCS[C@@H]1CCCCN(C(=O)[C@H](N)C(C)C)C1 ZINC000159766736 312633537 /nfs/dbraw/zinc/63/35/37/312633537.db2.gz JROAZFWNNXQALH-VXGBXAGGSA-N 0 3 258.431 2.104 20 70 CEIDHN CCN(CC)CCSc1nc(C(C)C)nc(N(C)C)n1 ZINC000160146615 312636116 /nfs/dbraw/zinc/63/61/16/312636116.db2.gz LCAGGFNQJVSFNN-UHFFFAOYSA-N 0 3 297.472 2.495 20 70 CEIDHN CS[C@@H](C)CC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000161174474 312643446 /nfs/dbraw/zinc/64/34/46/312643446.db2.gz GOUUIZWEYSPQKL-RYUDHWBXSA-N 0 3 260.447 2.221 20 70 CEIDHN CCCSCC(=O)N1CCCN(CCC)CC1 ZINC000160393254 520549605 /nfs/dbraw/zinc/54/96/05/520549605.db2.gz ILPZNEJSDVNHJJ-UHFFFAOYSA-N 0 3 258.431 2.074 20 70 CEIDHN CCCCO[C@H](C)C(=O)N1CCCN(CCC)CC1 ZINC000160366337 520833548 /nfs/dbraw/zinc/83/35/48/520833548.db2.gz JSDJDQWFJBHHLJ-CQSZACIVSA-N 0 3 270.417 2.136 20 70 CEIDHN CCn1cc([C@@H](C)NC[C@@H]2CCCCN2CC)cn1 ZINC000161189497 523455230 /nfs/dbraw/zinc/45/52/30/523455230.db2.gz RIMQPLSKJSXPKP-HIFRSBDPSA-N 0 3 264.417 2.428 20 70 CEIDHN C[C@@H](C(=O)NC[C@H]1CCCN(C)C1)c1cccs1 ZINC000159515210 344454978 /nfs/dbraw/zinc/45/49/78/344454978.db2.gz JLCIWXNRFWZYRS-VXGBXAGGSA-N 0 3 266.410 2.310 20 70 CEIDHN CC(C)C[C@@H](N)C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000159480624 540084550 /nfs/dbraw/zinc/08/45/50/540084550.db2.gz QNRDSLFSINISEK-CYBMUJFWSA-N 0 3 290.342 2.323 20 70 CEIDHN CC[C@H](N)C(=O)NCCCc1cccc(Br)c1 ZINC000159520353 540087585 /nfs/dbraw/zinc/08/75/85/540087585.db2.gz PGPZWJMCYVXONJ-LBPRGKRZSA-N 0 3 299.212 2.235 20 70 CEIDHN CCCn1nccc1CNC[C@@H]1COc2ccccc2O1 ZINC000159983800 540109039 /nfs/dbraw/zinc/10/90/39/540109039.db2.gz CHXMUGHRJCTEGX-CQSZACIVSA-N 0 3 287.363 2.223 20 70 CEIDHN C[C@H](NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)C1CCCC1 ZINC000160549670 299242121 /nfs/dbraw/zinc/24/21/21/299242121.db2.gz ATQXHNRGHZWTNG-XZBIERFOSA-N 0 3 294.439 2.214 20 70 CEIDHN CC(C)[C@H](N)C(=O)NCC1(Sc2ccccc2)CC1 ZINC000159704773 366939959 /nfs/dbraw/zinc/93/99/59/366939959.db2.gz WORDGSXFGKWGBZ-ZDUSSCGKSA-N 0 3 278.421 2.411 20 70 CEIDHN CCN1CCCN(C(=O)NCc2ccc(C)s2)CC1 ZINC000159593492 366929663 /nfs/dbraw/zinc/92/96/63/366929663.db2.gz UKLWOSMVVIJPEZ-UHFFFAOYSA-N 0 3 281.425 2.294 20 70 CEIDHN NC(=O)CC1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000159804159 366949109 /nfs/dbraw/zinc/94/91/09/366949109.db2.gz DTJQDNBIVMLINO-OWOJBTEDSA-N 0 3 276.355 2.426 20 70 CEIDHN CCNC(=O)N1CC[C@H](N[C@@H](C)c2ccccc2C)C1 ZINC000159813471 366950876 /nfs/dbraw/zinc/95/08/76/366950876.db2.gz LXFMGKZNQKWMJT-KBPBESRZSA-N 0 3 275.396 2.449 20 70 CEIDHN CCN1CCCN(C(=O)NCCc2cccc(C)c2)CC1 ZINC000159787233 366947842 /nfs/dbraw/zinc/94/78/42/366947842.db2.gz SBSGTVISBGXPTM-UHFFFAOYSA-N 0 3 289.423 2.275 20 70 CEIDHN CCN1CCCN(C(=O)N[C@@H](C)c2ncc(C)s2)CC1 ZINC000159953252 366961069 /nfs/dbraw/zinc/96/10/69/366961069.db2.gz MZLBDKRMDWRIDC-LBPRGKRZSA-N 0 3 296.440 2.250 20 70 CEIDHN CCCNC(=O)C(C)S(=O)(=O)[C@H](CC)c1ccccc1 ZINC000160488164 367010170 /nfs/dbraw/zinc/01/01/70/367010170.db2.gz IWEITAZFJQXUNF-GXTWGEPZSA-N 0 3 297.420 2.467 20 70 CEIDHN CC1(C)[C@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCCC(C)(C)C1 ZINC000160547841 367015005 /nfs/dbraw/zinc/01/50/05/367015005.db2.gz QQWYSBKOIYMAMU-GDZNZVCISA-N 0 3 294.439 2.168 20 70 CEIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)Nc1ncccn1 ZINC000160537959 367015426 /nfs/dbraw/zinc/01/54/26/367015426.db2.gz BYVZRYKUNOMGAX-RYUDHWBXSA-N 0 3 264.373 2.172 20 70 CEIDHN CSCC[C@@H](N)C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000160894449 367041053 /nfs/dbraw/zinc/04/10/53/367041053.db2.gz NMDVLVMDBGRXNO-OUCADQQQSA-N 0 3 280.437 2.375 20 70 CEIDHN CSCC[C@@H](N)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000160907436 367043082 /nfs/dbraw/zinc/04/30/82/367043082.db2.gz MDCBFHJFJRMUED-NWANDNLSSA-N 0 3 292.448 2.471 20 70 CEIDHN CC[C@H](C(=O)N[C@H](C)Cc1ccccc1F)N(C)C ZINC000161128855 367058976 /nfs/dbraw/zinc/05/89/76/367058976.db2.gz HVPNNDOJIWGBKY-BXUZGUMPSA-N 0 3 266.360 2.213 20 70 CEIDHN C[C@H](O)C(C)(C)NCc1cnn(-c2ccccc2)c1 ZINC000161138402 367060871 /nfs/dbraw/zinc/06/08/71/367060871.db2.gz SJMXCGIERHCZPT-LBPRGKRZSA-N 0 3 259.353 2.121 20 70 CEIDHN Cc1c(C(=O)N2CCC[C@H](N(C)C)C2)cnn1CC(C)C ZINC000161236308 367069966 /nfs/dbraw/zinc/06/99/66/367069966.db2.gz VKYQDUKGIKHIKK-AWEZNQCLSA-N 0 3 292.427 2.014 20 70 CEIDHN CCc1ncnc(NC[C@H]2CCCN2CC)c1F ZINC000217955657 370202293 /nfs/dbraw/zinc/20/22/93/370202293.db2.gz NRBCHAGFHAJGAF-SNVBAGLBSA-N 0 3 252.337 2.074 20 70 CEIDHN CC[C@H](C(=O)N[C@@H]1C[C@@H]1C1CCCCC1)N(C)C ZINC000160097488 395060424 /nfs/dbraw/zinc/06/04/24/395060424.db2.gz KDTYJUKWGIIHRD-MGPQQGTHSA-N 0 3 252.402 2.412 20 70 CEIDHN COC(CN(Cc1ccccc1)[C@H](CO)C(C)C)OC ZINC000161431553 292078929 /nfs/dbraw/zinc/07/89/29/292078929.db2.gz DODFALRNRZRSRA-OAHLLOKOSA-N 0 3 281.396 2.124 20 70 CEIDHN CCc1ncnc(N[C@@H]2CCN(C)[C@@H](C)C2)c1F ZINC000218038956 153296801 /nfs/dbraw/zinc/29/68/01/153296801.db2.gz IMPZVTOFUFZTKB-VHSXEESVSA-N 0 3 252.337 2.073 20 70 CEIDHN CN(CCNc1nnc(C(F)(F)F)s1)C1CC1 ZINC000160164053 162321710 /nfs/dbraw/zinc/32/17/10/162321710.db2.gz NZPQAKLQZKVDRP-UHFFFAOYSA-N 0 3 266.292 2.063 20 70 CEIDHN CCOCCCN1CCCN(C(=O)c2ccsc2)CC1 ZINC000159478644 276315103 /nfs/dbraw/zinc/31/51/03/276315103.db2.gz BKFAVSIUKOAKHT-UHFFFAOYSA-N 0 3 296.436 2.323 20 70 CEIDHN CC[C@H](N)C(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 ZINC000160117791 276631546 /nfs/dbraw/zinc/63/15/46/276631546.db2.gz HXLANVDENGZLFX-NSHDSACASA-N 0 3 290.392 2.498 20 70 CEIDHN CC(C)N(C)CC(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000160525063 279353399 /nfs/dbraw/zinc/35/33/99/279353399.db2.gz UXFQFUWQJHZDDU-CQSZACIVSA-N 0 3 282.428 2.325 20 70 CEIDHN CN(C)CCN(CCN(C)C)C(=O)C1CCC(C)(C)CC1 ZINC000159972976 312636351 /nfs/dbraw/zinc/63/63/51/312636351.db2.gz LMOVESAZCQPJFA-UHFFFAOYSA-N 0 3 297.487 2.155 20 70 CEIDHN CC(C)N(CCN(C)C)C(=O)NCC1(C)CCC1 ZINC000159487917 528893196 /nfs/dbraw/zinc/89/31/96/528893196.db2.gz LAUUCJJCFJOPJM-UHFFFAOYSA-N 0 3 255.406 2.158 20 70 CEIDHN Cc1nc2n(n1)C[C@H](N[C@H]1CCc3cc(F)ccc31)CC2 ZINC000160304896 282128002 /nfs/dbraw/zinc/12/80/02/282128002.db2.gz KGWZIARZSHVIFB-HIFRSBDPSA-N 0 3 286.354 2.318 20 70 CEIDHN CCN1CCN(C[C@H](C)CNC(=O)CCC(C)(C)C)CC1 ZINC000160113263 344456662 /nfs/dbraw/zinc/45/66/62/344456662.db2.gz IWJHCAGWPRIAHV-OAHLLOKOSA-N 0 3 297.487 2.203 20 70 CEIDHN COc1cc(NC(=O)[C@@H]2CCCCCN2)ccc1F ZINC000160349632 344458467 /nfs/dbraw/zinc/45/84/67/344458467.db2.gz LTYWIQFHBVAUSP-LBPRGKRZSA-N 0 3 266.316 2.305 20 70 CEIDHN CCn1ccnc1CNCCc1cccc(OC)c1 ZINC000218209903 344536293 /nfs/dbraw/zinc/53/62/93/344536293.db2.gz RNTDFMPOTQOUAD-UHFFFAOYSA-N 0 3 259.353 2.244 20 70 CEIDHN CCCn1nccc1CNCCc1ccc(O)cc1 ZINC000160114319 540111561 /nfs/dbraw/zinc/11/15/61/540111561.db2.gz YJSJICAEPIUDEV-UHFFFAOYSA-N 0 3 259.353 2.331 20 70 CEIDHN Cc1ccc(C)c(OC[C@@H](O)CNCCOC(C)C)c1 ZINC000160210992 540113295 /nfs/dbraw/zinc/11/32/95/540113295.db2.gz ZHVKIDZGVVBFTO-HNNXBMFYSA-N 0 3 281.396 2.058 20 70 CEIDHN CN(Cc1ccccc1)CC(C)(C)NCc1ccnn1C ZINC000159378740 366907087 /nfs/dbraw/zinc/90/70/87/366907087.db2.gz WGBFEPKZIVINJO-UHFFFAOYSA-N 0 3 286.423 2.420 20 70 CEIDHN CCN1CCC(NC(=O)NCC2(C3CC3)CCC2)CC1 ZINC000159573868 366928446 /nfs/dbraw/zinc/92/84/46/366928446.db2.gz BASYMWIFZWKZMP-UHFFFAOYSA-N 0 3 279.428 2.350 20 70 CEIDHN CCCCN(C)CCNC(=O)N[C@@H](C)CC(C)C ZINC000159836164 366953514 /nfs/dbraw/zinc/95/35/14/366953514.db2.gz QCYDTIJUXWAPSU-ZDUSSCGKSA-N 0 3 257.422 2.452 20 70 CEIDHN CC(C)[C@@H](N)C(=O)N1CCc2ccc(Br)cc21 ZINC000159995662 366963388 /nfs/dbraw/zinc/96/33/88/366963388.db2.gz KNMZNINROUNKGW-GFCCVEGCSA-N 0 3 297.196 2.322 20 70 CEIDHN C[C@H]1C[C@H](NC(=O)NCC2(C3CC3)CC2)CN1C1CC1 ZINC000160006529 366965073 /nfs/dbraw/zinc/96/50/73/366965073.db2.gz NVCJUHARSFEKLK-AAEUAGOBSA-N 0 3 277.412 2.101 20 70 CEIDHN Cc1cccc2nc(CN[C@@H](C)[C@@H]3CCOC3)cn21 ZINC000160298213 366992162 /nfs/dbraw/zinc/99/21/62/366992162.db2.gz XPLVDYJXGDVDNW-QWHCGFSZSA-N 0 3 259.353 2.157 20 70 CEIDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ccsc1 ZINC000160640003 367023681 /nfs/dbraw/zinc/02/36/81/367023681.db2.gz LTWFJJRYHGORQY-GYSYKLTISA-N 0 3 280.393 2.219 20 70 CEIDHN O=C(NCCc1cc2ccccc2o1)[C@@H]1CCCCN1 ZINC000160487826 367011274 /nfs/dbraw/zinc/01/12/74/367011274.db2.gz UODFPUDKLLFRLX-AWEZNQCLSA-N 0 3 272.348 2.234 20 70 CEIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)NCC(F)(F)F ZINC000160512945 367012550 /nfs/dbraw/zinc/01/25/50/367012550.db2.gz VPGYUJCLLZWAQK-UWVGGRQHSA-N 0 3 268.323 2.421 20 70 CEIDHN CCn1cc([C@@H](C)NC[C@@H](O)c2cccc(OC)c2)cn1 ZINC000161339795 367079851 /nfs/dbraw/zinc/07/98/51/367079851.db2.gz ZRLOPPCMTZHXKS-MLGOLLRUSA-N 0 3 289.379 2.296 20 70 CEIDHN O=C([C@H]1CCCCN1)N1CCSC2(CCCCC2)C1 ZINC000161449257 367088216 /nfs/dbraw/zinc/08/82/16/367088216.db2.gz GHAPUJMEMBQTHA-CYBMUJFWSA-N 0 3 282.453 2.407 20 70 CEIDHN CCN1CCCN(C(=O)N[C@H](C)C(C)(C)C)CC1 ZINC000159854534 285214341 /nfs/dbraw/zinc/21/43/41/285214341.db2.gz PVEJRAZOUUGVGK-GFCCVEGCSA-N 0 3 255.406 2.158 20 70 CEIDHN CC[C@@]1(C)CCCN(C(=O)[C@@H](N)CCSC)C1 ZINC000160778846 395062164 /nfs/dbraw/zinc/06/21/64/395062164.db2.gz FGWFUHCFNWKHQL-AAEUAGOBSA-N 0 3 258.431 2.106 20 70 CEIDHN C[C@H](N)C(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000161045154 395062756 /nfs/dbraw/zinc/06/27/56/395062756.db2.gz IERQDIZGOLEQPV-GBIKHYSHSA-N 0 3 250.317 2.082 20 70 CEIDHN CCOCCC1(CNC(=O)[C@H](C(C)C)N(C)C)CCC1 ZINC000159906728 162317900 /nfs/dbraw/zinc/31/79/00/162317900.db2.gz BIRRNAOQLXFLMC-AWEZNQCLSA-N 0 3 284.444 2.286 20 70 CEIDHN C[C@H](Cc1ccccc1F)C(=O)NC[C@H]1CCCN1C ZINC000160133721 261205590 /nfs/dbraw/zinc/20/55/90/261205590.db2.gz APCZUJATJHXKST-TZMCWYRMSA-N 0 3 278.371 2.215 20 70 CEIDHN CC[C@H](C(=O)N[C@@H]1CCC[C@H](C2CC2)C1)N(C)C ZINC000160229839 270238385 /nfs/dbraw/zinc/23/83/85/270238385.db2.gz DUDSWEYFAVIRCM-BFHYXJOUSA-N 0 3 252.402 2.412 20 70 CEIDHN Cc1noc(Cl)c1CC(=O)N[C@@H](C)CN1CCCCC1 ZINC000160107905 297432969 /nfs/dbraw/zinc/43/29/69/297432969.db2.gz DQCKIABSWLKNRY-JTQLQIEISA-N 0 3 299.802 2.170 20 70 CEIDHN CS[C@@H](C)CC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000161380865 297444449 /nfs/dbraw/zinc/44/44/49/297444449.db2.gz GGKXNGCFUNEEMQ-STQMWFEESA-N 0 3 272.458 2.365 20 70 CEIDHN CN(C)Cc1ccc(C(=O)N(C)Cc2cccn2C)cc1 ZINC000160893944 521891831 /nfs/dbraw/zinc/89/18/31/521891831.db2.gz QANRWNRKZYAQDC-UHFFFAOYSA-N 0 3 285.391 2.359 20 70 CEIDHN COc1ccc([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160521253 525162427 /nfs/dbraw/zinc/16/24/27/525162427.db2.gz KBHNVRJZZMECLD-BXUZGUMPSA-N 0 3 286.379 2.261 20 70 CEIDHN c1cn(CCN2CCC(Oc3ccccc3)CC2)cn1 ZINC000161472510 526533558 /nfs/dbraw/zinc/53/35/58/526533558.db2.gz XLOWAFADNHHNDH-UHFFFAOYSA-N 0 3 271.364 2.427 20 70 CEIDHN C[C@@H](C(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccsc1 ZINC000159496983 344455116 /nfs/dbraw/zinc/45/51/16/344455116.db2.gz HUOJCMYGUMMOOU-BXUZGUMPSA-N 0 3 278.421 2.452 20 70 CEIDHN CC(C)[C@@H](C(=O)N(C)Cc1ccsc1)N(C)C ZINC000159605019 344455419 /nfs/dbraw/zinc/45/54/19/344455419.db2.gz DJEUBOVTYXMBBX-LBPRGKRZSA-N 0 3 254.399 2.293 20 70 CEIDHN Cc1ccc(C(=O)CCNC(C)(C)C(=O)N(C)C)cc1 ZINC000160558225 344459632 /nfs/dbraw/zinc/45/96/32/344459632.db2.gz NFSHCZWZPKYMII-UHFFFAOYSA-N 0 3 276.380 2.024 20 70 CEIDHN Cc1cccc(C)c1OC[C@H](O)CNCCOC(C)C ZINC000160202365 540113235 /nfs/dbraw/zinc/11/32/35/540113235.db2.gz PYELINCYGNHQPO-OAHLLOKOSA-N 0 3 281.396 2.058 20 70 CEIDHN CN1CCC[C@H]1CNc1ccc(C(F)(F)F)nn1 ZINC000217991138 538888631 /nfs/dbraw/zinc/88/86/31/538888631.db2.gz BEZFTUPVUUPUKK-QMMMGPOBSA-N 0 3 260.263 2.002 20 70 CEIDHN Cn1nc(CNCC2(CO)CCCC2)c2ccccc21 ZINC000160151049 540445698 /nfs/dbraw/zinc/44/56/98/540445698.db2.gz FWKYQXMSVFQYSM-UHFFFAOYSA-N 0 3 273.380 2.216 20 70 CEIDHN CC[C@@](C)(O)CN[C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000159431667 366911208 /nfs/dbraw/zinc/91/12/08/366911208.db2.gz WUVLCXCOCYDSLF-IUODEOHRSA-N 0 3 299.436 2.292 20 70 CEIDHN c1c(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)nc2ccccn12 ZINC000159494837 366919216 /nfs/dbraw/zinc/91/92/16/366919216.db2.gz KFSZBKBWTXXUIN-KBMXLJTQSA-N 0 3 283.375 2.382 20 70 CEIDHN CCc1oc(C(=O)NC[C@H]2CCCN2CC)cc1C ZINC000159571829 366926452 /nfs/dbraw/zinc/92/64/52/366926452.db2.gz LDERLXKQEIHTQJ-GFCCVEGCSA-N 0 3 264.369 2.365 20 70 CEIDHN CCn1c(=O)c2cc(F)ccc2nc1SCCN(C)C ZINC000159577376 366928337 /nfs/dbraw/zinc/92/83/37/366928337.db2.gz XJTSQDAXAWETDC-UHFFFAOYSA-N 0 3 295.383 2.209 20 70 CEIDHN CSCC[C@H](N)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000159603737 366931237 /nfs/dbraw/zinc/93/12/37/366931237.db2.gz KXWVXDCYRXALAQ-ZDUSSCGKSA-N 0 3 292.404 2.225 20 70 CEIDHN CC[C@@H](N)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159810207 366949533 /nfs/dbraw/zinc/94/95/33/366949533.db2.gz DSPNUWXUFAEGIJ-WCQYABFASA-N 0 3 266.772 2.393 20 70 CEIDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NC1(C)CCC1 ZINC000159920332 366959362 /nfs/dbraw/zinc/95/93/62/366959362.db2.gz JKQMWYCLLZOHNA-CHWSQXEVSA-N 0 3 267.417 2.349 20 70 CEIDHN COCCCN(C)CCNC(=O)c1ccc(Cl)cc1C ZINC000160005532 366966188 /nfs/dbraw/zinc/96/61/88/366966188.db2.gz NVQGRHLHWNFEGS-UHFFFAOYSA-N 0 3 298.814 2.347 20 70 CEIDHN CC(C)CCn1ccc(NC(=O)NC2CCN(C)CC2)n1 ZINC000160313716 366993749 /nfs/dbraw/zinc/99/37/49/366993749.db2.gz CQBLPUYWYQEZFN-UHFFFAOYSA-N 0 3 293.415 2.145 20 70 CEIDHN CCC(CC)CNC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000160573677 367017961 /nfs/dbraw/zinc/01/79/61/367017961.db2.gz LZISCDFQCFBVMV-CQSZACIVSA-N 0 3 269.433 2.406 20 70 CEIDHN CCc1ccc([C@H](C)N[C@H]2CCc3nc(C)nn3C2)o1 ZINC000160576555 367019346 /nfs/dbraw/zinc/01/93/46/367019346.db2.gz CLQWFXOEXMIDRM-JQWIXIFHSA-N 0 3 274.368 2.408 20 70 CEIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000160521627 367014056 /nfs/dbraw/zinc/01/40/56/367014056.db2.gz SFNCYZXAYSSGPS-STQMWFEESA-N 0 3 285.432 2.225 20 70 CEIDHN CCCN1CCC[C@@H]1C(=O)Nc1ccc(OC)c(N)c1 ZINC000161001892 367048707 /nfs/dbraw/zinc/04/87/07/367048707.db2.gz UYNQAEBHILGPIY-CYBMUJFWSA-N 0 3 277.368 2.090 20 70 CEIDHN CCOc1ncccc1CNC1CCC(NC(C)=O)CC1 ZINC000161022520 367049988 /nfs/dbraw/zinc/04/99/88/367049988.db2.gz PRFUOEARAAWZPF-UHFFFAOYSA-N 0 3 291.395 2.017 20 70 CEIDHN CC[C@H](N)C(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000161045011 367050455 /nfs/dbraw/zinc/05/04/55/367050455.db2.gz HAMVMVCGKUZEIX-BPNCWPANSA-N 0 3 264.344 2.473 20 70 CEIDHN O=C([C@H]1CCCO1)N1CCN(CC2CCCCCC2)CC1 ZINC000161027446 367050928 /nfs/dbraw/zinc/05/09/28/367050928.db2.gz UZNXDYCXRDAQPU-MRXNPFEDSA-N 0 3 294.439 2.280 20 70 CEIDHN CSCC[C@H](N)C(=O)NCC(C)(C)Cc1ccccc1 ZINC000161076943 367053573 /nfs/dbraw/zinc/05/35/73/367053573.db2.gz IBCQSJHODGRLRV-AWEZNQCLSA-N 0 3 294.464 2.452 20 70 CEIDHN C[C@H](CNC(=O)[C@@H](N)C(C)(C)C)Cc1cccs1 ZINC000161093447 367056676 /nfs/dbraw/zinc/05/66/76/367056676.db2.gz JXMJOZHOGUMMQX-CMPLNLGQSA-N 0 3 268.426 2.416 20 70 CEIDHN CN(CCN(C)Cc1ccc(F)cc1)Cc1nccn1C ZINC000161156834 367062794 /nfs/dbraw/zinc/06/27/94/367062794.db2.gz NMYBQDYMHAXDEX-UHFFFAOYSA-N 0 3 290.386 2.123 20 70 CEIDHN CCn1cc([C@@H](C)NC[C@H](CO)c2ccccc2)cn1 ZINC000161508528 367091845 /nfs/dbraw/zinc/09/18/45/367091845.db2.gz VPRMRBKLTAGDOU-CZUORRHYSA-N 0 3 273.380 2.330 20 70 CEIDHN CN(C)C(=O)CNCC(c1ccccc1)c1ccccc1 ZINC000218614039 370211502 /nfs/dbraw/zinc/21/15/02/370211502.db2.gz PZNMXTOCFJUABA-UHFFFAOYSA-N 0 3 282.387 2.496 20 70 CEIDHN COCCN(C)CCN[C@H]1CCCOc2ccc(C)cc21 ZINC000159369479 284959592 /nfs/dbraw/zinc/95/95/92/284959592.db2.gz BYHPUWDDSYONJC-INIZCTEOSA-N 0 3 292.423 2.377 20 70 CEIDHN COC(CN1CCCC[C@H]1c1cccn1C)OC ZINC000161364433 292079329 /nfs/dbraw/zinc/07/93/29/292079329.db2.gz SZLXJSSLZIPEEV-ZDUSSCGKSA-N 0 3 252.358 2.171 20 70 CEIDHN CCO[C@H](CCNC(=O)N1CCCN(CC)CC1)C(C)C ZINC000159937052 162319405 /nfs/dbraw/zinc/31/94/05/162319405.db2.gz RSDLBINHQKFITA-OAHLLOKOSA-N 0 3 299.459 2.175 20 70 CEIDHN CCN1CCCN(C(=O)N[C@@H]2CCC[C@H](SC)C2)CC1 ZINC000159874850 276366746 /nfs/dbraw/zinc/36/67/46/276366746.db2.gz NJKSMEAKJBMLPH-KGLIPLIRSA-N 0 3 299.484 2.398 20 70 CEIDHN CO[C@@H]1CCCC[C@H]1N[C@@H]1CCCc2c1cnn2C ZINC000218219148 293646367 /nfs/dbraw/zinc/64/63/67/293646367.db2.gz ZLSBNXPTTMCZMW-UMVBOHGHSA-N 0 3 263.385 2.345 20 70 CEIDHN CCOc1ccc(CNC(C)(C)[C@@H](C)O)cc1OC ZINC000161154987 521000030 /nfs/dbraw/zinc/00/00/30/521000030.db2.gz ACCGNYDUPBVQRE-LLVKDONJSA-N 0 3 267.369 2.343 20 70 CEIDHN COC(=O)c1ccc(CN2CC[C@@H](C(C)C)C2)nc1 ZINC000160596101 522014447 /nfs/dbraw/zinc/01/44/47/522014447.db2.gz MNWBSAROZZOMGI-CYBMUJFWSA-N 0 3 262.353 2.346 20 70 CEIDHN CCc1ccc(CC(=O)NCCN2CCCCC2)cc1 ZINC000160567180 523907101 /nfs/dbraw/zinc/90/71/01/523907101.db2.gz IMYYUWDDOSVACH-UHFFFAOYSA-N 0 3 274.408 2.394 20 70 CEIDHN C[C@@H](NC[C@H]1CC(=O)Nc2ccccc21)c1cnccn1 ZINC000160609700 525497985 /nfs/dbraw/zinc/49/79/85/525497985.db2.gz BHSOUZZVUAAMBP-VXGBXAGGSA-N 0 3 282.347 2.253 20 70 CEIDHN Cc1ccc([C@@H]2CN(C(=O)[C@@H](N)C(C)C)CCO2)c(C)c1 ZINC000161474761 525833536 /nfs/dbraw/zinc/83/35/36/525833536.db2.gz RMQMVVAIPRNVEP-HOTGVXAUSA-N 0 3 290.407 2.187 20 70 CEIDHN CC[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160740166 344461101 /nfs/dbraw/zinc/46/11/01/344461101.db2.gz LWUSZKJNYHJXFO-HUUCEWRRSA-N 0 3 279.428 2.445 20 70 CEIDHN CC1(C)CCCN(C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000160727365 344461191 /nfs/dbraw/zinc/46/11/91/344461191.db2.gz KIMUFMXJVQWKIT-AWEZNQCLSA-N 0 3 279.428 2.302 20 70 CEIDHN CCCn1nccc1CNC[C@@H]1Cc2ccccc2O1 ZINC000160106293 540112322 /nfs/dbraw/zinc/11/23/22/540112322.db2.gz SWAQWFOKWGRLLT-HNNXBMFYSA-N 0 3 271.364 2.386 20 70 CEIDHN COc1cc(C)nc(CNCC2(CO)CCCCC2)c1 ZINC000159729488 540429985 /nfs/dbraw/zinc/42/99/85/540429985.db2.gz MHEWPQSTFKAPCY-UHFFFAOYSA-N 0 3 278.396 2.431 20 70 CEIDHN CN(Cc1ccccc1)CC(C)(C)NCc1nccn1C ZINC000159371228 366907825 /nfs/dbraw/zinc/90/78/25/366907825.db2.gz COGJAZQRWXDQOD-UHFFFAOYSA-N 0 3 286.423 2.420 20 70 CEIDHN Cc1cnc([C@@H](C)NC(=O)N(CCN(C)C)C(C)C)s1 ZINC000159480096 366917636 /nfs/dbraw/zinc/91/76/36/366917636.db2.gz IPHOTDMNKOOKPN-GFCCVEGCSA-N 0 3 298.456 2.494 20 70 CEIDHN CC(C)(CNCc1cc(F)cc(F)c1)N1CCOCC1 ZINC000159594733 366929967 /nfs/dbraw/zinc/92/99/67/366929967.db2.gz ZFEQSGCPHXIUEP-UHFFFAOYSA-N 0 3 284.350 2.165 20 70 CEIDHN CCN1CCCN(C(=O)N[C@@H](C)Cc2cccs2)CC1 ZINC000159640549 366934003 /nfs/dbraw/zinc/93/40/03/366934003.db2.gz LKLFMKZKJUMHRA-ZDUSSCGKSA-N 0 3 295.452 2.416 20 70 CEIDHN CCN1CCCN(C(=O)N[C@H](C)c2cccc(O)c2)CC1 ZINC000159854191 366953139 /nfs/dbraw/zinc/95/31/39/366953139.db2.gz SEENUEBYFSXXLW-CYBMUJFWSA-N 0 3 291.395 2.190 20 70 CEIDHN CC(C)(N)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159806986 366949483 /nfs/dbraw/zinc/94/94/83/366949483.db2.gz IGAIYZAYLITYJA-NSHDSACASA-N 0 3 266.772 2.393 20 70 CEIDHN COCC(C)(C)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000159816996 366950691 /nfs/dbraw/zinc/95/06/91/366950691.db2.gz VCAAZXZHUFSZSZ-UHFFFAOYSA-N 0 3 282.428 2.136 20 70 CEIDHN COC(=O)c1cc(CN[C@@H]2CCOC(C)(C)C2)oc1C ZINC000159937320 366959690 /nfs/dbraw/zinc/95/96/90/366959690.db2.gz YXSKZYOLLQYTCR-LLVKDONJSA-N 0 3 281.352 2.422 20 70 CEIDHN COC(=O)c1ccc(CN2C[C@@H]3CCC[C@@H]3C2)nc1 ZINC000159991100 366964010 /nfs/dbraw/zinc/96/40/10/366964010.db2.gz PUMLLDGHCLZRSJ-BETUJISGSA-N 0 3 260.337 2.100 20 70 CEIDHN CCN(CC)C(=O)C[C@H](C)NC[C@@](C)(O)c1ccsc1 ZINC000160081616 366972044 /nfs/dbraw/zinc/97/20/44/366972044.db2.gz VUGMLXSFJORBMQ-SWLSCSKDSA-N 0 3 298.452 2.192 20 70 CEIDHN C[C@H](CNC(=O)NC1(C)CCC1)N1CCC(C)CC1 ZINC000160214092 366984407 /nfs/dbraw/zinc/98/44/07/366984407.db2.gz SUDDZXKQURRUFS-CYBMUJFWSA-N 0 3 267.417 2.349 20 70 CEIDHN CC1=CCN(CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000160220713 366984539 /nfs/dbraw/zinc/98/45/39/366984539.db2.gz VELUHGFFKNIGMM-UHFFFAOYSA-N 0 3 277.343 2.389 20 70 CEIDHN CCCCn1ncc(NC(=O)N2CC[C@@H](N(C)C)C2)c1C ZINC000160233826 366986107 /nfs/dbraw/zinc/98/61/07/366986107.db2.gz DYFFZDNRFQUTMO-CYBMUJFWSA-N 0 3 293.415 2.159 20 70 CEIDHN CCCN(C(=O)CNC)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000160614441 367022495 /nfs/dbraw/zinc/02/24/95/367022495.db2.gz SVPZNLXNAOHBTR-UONOGXRCSA-N 0 3 282.428 2.182 20 70 CEIDHN CC(C)c1nccc(N(C)[C@H]2CCN(C)C[C@H]2C)n1 ZINC000160427237 367005667 /nfs/dbraw/zinc/00/56/67/367005667.db2.gz ZXBDHQVFKFYTHT-OLZOCXBDSA-N 0 3 262.401 2.376 20 70 CEIDHN C[C@H](N)C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000160881037 367040445 /nfs/dbraw/zinc/04/04/45/367040445.db2.gz RLTHONDPQFZCPS-NSHDSACASA-N 0 3 280.799 2.468 20 70 CEIDHN CCCN(C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000161078834 367055447 /nfs/dbraw/zinc/05/54/47/367055447.db2.gz RNSYNXXJYCVMRW-UONOGXRCSA-N 0 3 271.426 2.242 20 70 CEIDHN CCOc1cc(CNC(C)(C)[C@@H](C)O)ccc1OC ZINC000161126467 367059473 /nfs/dbraw/zinc/05/94/73/367059473.db2.gz YNKGBFNJWDQKOO-LLVKDONJSA-N 0 3 267.369 2.343 20 70 CEIDHN CSCC[C@H](N)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000161171481 367063566 /nfs/dbraw/zinc/06/35/66/367063566.db2.gz JJGBTMVWXALITD-OCCSQVGLSA-N 0 3 280.437 2.295 20 70 CEIDHN CSCC[C@H](N)C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000161198222 367066682 /nfs/dbraw/zinc/06/66/82/367066682.db2.gz DHSALUNHVPHQQM-ZDUSSCGKSA-N 0 3 298.427 2.300 20 70 CEIDHN NC1(C(=O)Nc2cnn(CC(F)(F)F)c2)CCCCC1 ZINC000161194622 367066945 /nfs/dbraw/zinc/06/69/45/367066945.db2.gz OBQIDJUKHXCEKF-UHFFFAOYSA-N 0 3 290.289 2.046 20 70 CEIDHN CSCC[C@H](N)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000161229289 367070764 /nfs/dbraw/zinc/07/07/64/367070764.db2.gz IMCFINSIPHLYLV-QWRGUYRKSA-N 0 3 260.447 2.398 20 70 CEIDHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000161053702 400284459 /nfs/dbraw/zinc/28/44/59/400284459.db2.gz XRNTVCXOWPPKRS-PKFCDNJMSA-N 0 3 282.359 2.385 20 70 CEIDHN CCOCCC1(CNC(=O)[C@@H](CC)N(C)C)CCC1 ZINC000160301452 297434758 /nfs/dbraw/zinc/43/47/58/297434758.db2.gz YOSRTAPAGUFLDU-CYBMUJFWSA-N 0 3 270.417 2.040 20 70 CEIDHN C[C@@H](N)C(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000160999549 297440324 /nfs/dbraw/zinc/44/03/24/297440324.db2.gz BYLLZUSKBSTSTK-LLVKDONJSA-N 0 3 294.420 2.385 20 70 CEIDHN CC[C@H](N)C(=O)N[C@H](COc1ccccc1F)C(C)(C)C ZINC000159773796 500735821 /nfs/dbraw/zinc/73/58/21/500735821.db2.gz YQGOIUYSFUIEDR-GXTWGEPZSA-N 0 3 296.386 2.473 20 70 CEIDHN CCC(CC)CNC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000160564970 521528556 /nfs/dbraw/zinc/52/85/56/521528556.db2.gz MNBJHJGRSVHQNK-AWEZNQCLSA-N 0 3 267.417 2.302 20 70 CEIDHN CCc1nnc(C[NH2+][C@H](Cc2ccccc2)C2CC2)[n-]1 ZINC000160591371 522354965 /nfs/dbraw/zinc/35/49/65/522354965.db2.gz VKHUDOBRKNYJCW-CQSZACIVSA-N 0 3 270.380 2.478 20 70 CEIDHN CCc1nnc(CN[C@H](Cc2ccccc2)C2CC2)[nH]1 ZINC000160591371 522354973 /nfs/dbraw/zinc/35/49/73/522354973.db2.gz VKHUDOBRKNYJCW-CQSZACIVSA-N 0 3 270.380 2.478 20 70 CEIDHN COC[C@@H](NCc1ccccc1N1CCOCC1)C1CC1 ZINC000161476356 522363479 /nfs/dbraw/zinc/36/34/79/522363479.db2.gz JQEHSLVZIIYIAA-MRXNPFEDSA-N 0 3 290.407 2.038 20 70 CEIDHN Cc1nccn1CCCCN1C[C@@H](C)OC(C)(C)C1 ZINC000161468799 527399233 /nfs/dbraw/zinc/39/92/33/527399233.db2.gz XOSJOOVBBGGPEU-CYBMUJFWSA-N 0 3 265.401 2.471 20 70 CEIDHN OCCCCN(Cc1cnc2ccccn12)C1CC1 ZINC000160465514 527537638 /nfs/dbraw/zinc/53/76/38/527537638.db2.gz HZNSBOSAKRELSL-UHFFFAOYSA-N 0 3 259.353 2.071 20 70 CEIDHN c1c(CN2CC[C@@H]3CCCC[C@@H]32)nc2ncccn12 ZINC000159583862 344455665 /nfs/dbraw/zinc/45/56/65/344455665.db2.gz LWSBLPCWLNMSAB-JSGCOSHPSA-N 0 3 256.353 2.494 20 70 CEIDHN CCN1CCN(C[C@@H](C)CNC(=O)CCC(C)(C)C)CC1 ZINC000160113136 344457126 /nfs/dbraw/zinc/45/71/26/344457126.db2.gz IWJHCAGWPRIAHV-HNNXBMFYSA-N 0 3 297.487 2.203 20 70 CEIDHN CCN(C(=O)N[C@@H]1CCN(CC2CC2)C1)C1CCCC1 ZINC000160657365 344460754 /nfs/dbraw/zinc/46/07/54/344460754.db2.gz RESALKZPDKJNEL-CQSZACIVSA-N 0 3 279.428 2.445 20 70 CEIDHN CC1(NC(=O)N[C@@H]2CCN(CC3CC3)C2)CCCCC1 ZINC000160724596 344461365 /nfs/dbraw/zinc/46/13/65/344461365.db2.gz JNGGNWWSMOJMQQ-CQSZACIVSA-N 0 3 279.428 2.493 20 70 CEIDHN CSCC[C@@H](C)N(C)C(=O)[C@H]1CNCc2ccccc21 ZINC000161267694 344463396 /nfs/dbraw/zinc/46/33/96/344463396.db2.gz ZDFLCEKNLCQIIH-DOMZBBRYSA-N 0 3 292.448 2.473 20 70 CEIDHN CC(C)[C@@H](N)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000160906935 188497182 /nfs/dbraw/zinc/49/71/82/188497182.db2.gz IZLIKUGGPGELMD-NWANDNLSSA-N 0 3 260.381 2.374 20 70 CEIDHN CC1CCC(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000160046297 540110944 /nfs/dbraw/zinc/11/09/44/540110944.db2.gz GOEZPJOBCOTOQD-DHNHGVONSA-N 0 3 294.439 2.214 20 70 CEIDHN C[C@H](CNCc1cnc2ccccc2n1)N(C)C1CC1 ZINC000217620397 540449031 /nfs/dbraw/zinc/44/90/31/540449031.db2.gz FSORKNOLMUPZDZ-GFCCVEGCSA-N 0 3 270.380 2.202 20 70 CEIDHN CC(C)CN(CCN(C)C)C(=O)c1cccc2nc[nH]c21 ZINC000159418207 366909688 /nfs/dbraw/zinc/90/96/88/366909688.db2.gz YVURVAWEHNINSZ-UHFFFAOYSA-N 0 3 288.395 2.223 20 70 CEIDHN COC(=O)C1(N(C)CCN2CCC(C)CC2)CCCC1 ZINC000159498127 366920011 /nfs/dbraw/zinc/92/00/11/366920011.db2.gz NHWGHMLGZROXBJ-UHFFFAOYSA-N 0 3 282.428 2.136 20 70 CEIDHN C[C@H]1CC[C@@H](C(N)=O)CN1CC1=Cc2ccccc2OC1 ZINC000159600721 366931258 /nfs/dbraw/zinc/93/12/58/366931258.db2.gz NDZIKFJLCWITNF-SWLSCSKDSA-N 0 3 286.375 2.048 20 70 CEIDHN c1cc2c(c(CN[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)c1)OCO2 ZINC000159642984 366934041 /nfs/dbraw/zinc/93/40/41/366934041.db2.gz TZSZNEZAURQFCV-MAZHCROVSA-N 0 3 287.359 2.463 20 70 CEIDHN COC(=O)c1cc(CN[C@H]2CCOC(C)(C)C2)oc1C ZINC000159937419 366959883 /nfs/dbraw/zinc/95/98/83/366959883.db2.gz YXSKZYOLLQYTCR-NSHDSACASA-N 0 3 281.352 2.422 20 70 CEIDHN COc1ccccc1[C@H]1CCN(C(=O)[C@@H](N)CC(C)C)C1 ZINC000160374833 367001173 /nfs/dbraw/zinc/00/11/73/367001173.db2.gz UZMATKONBXHUOF-ZFWWWQNUSA-N 0 3 290.407 2.385 20 70 CEIDHN CCc1ccc(/C=C/C(=O)N(C)[C@H]2CCCN(C)C2)o1 ZINC000160462764 367007723 /nfs/dbraw/zinc/00/77/23/367007723.db2.gz DQDHJUYHNOWRLB-LXKVQUBZSA-N 0 3 276.380 2.408 20 70 CEIDHN C[C@H]1Cc2ccccc2[C@H]1NCC(=O)NCC(F)(F)F ZINC000160554132 367016626 /nfs/dbraw/zinc/01/66/26/367016626.db2.gz CZTNKOCAQLSSGQ-ZANVPECISA-N 0 3 286.297 2.188 20 70 CEIDHN CC(C)NC(=O)CN[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000160940289 367044842 /nfs/dbraw/zinc/04/48/42/367044842.db2.gz VKIAZKFHVTUQBH-HUUCEWRRSA-N 0 3 260.381 2.437 20 70 CEIDHN COCCC1(C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000161035732 367051229 /nfs/dbraw/zinc/05/12/29/367051229.db2.gz UNWVDOTUWFPYOW-AWEZNQCLSA-N 0 3 282.428 2.040 20 70 CEIDHN C[C@H](O)C(C)(C)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000161155777 367062565 /nfs/dbraw/zinc/06/25/65/367062565.db2.gz BBSXBIYINOAOAM-VIFPVBQESA-N 0 3 285.771 2.360 20 70 CEIDHN CC[C@@H](C)[C@H](N)C(=O)NC[C@@H](C)Oc1ccccc1F ZINC000161162775 367063886 /nfs/dbraw/zinc/06/38/86/367063886.db2.gz DRIXRKZBMOEDMO-GYSYKLTISA-N 0 3 282.359 2.083 20 70 CEIDHN COCCCCCNCc1nn(C)c2ccccc12 ZINC000218170064 370206786 /nfs/dbraw/zinc/20/67/86/370206786.db2.gz YAUQRWVSPVXWAY-UHFFFAOYSA-N 0 3 261.369 2.480 20 70 CEIDHN CCN(CC)CC(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000160729156 284577954 /nfs/dbraw/zinc/57/79/54/284577954.db2.gz NCSSVSKAMSBXSP-CQSZACIVSA-N 0 3 282.428 2.326 20 70 CEIDHN C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC[C@@H](N(C)C)C1 ZINC000217146586 400307270 /nfs/dbraw/zinc/30/72/70/400307270.db2.gz KERABBGWRYFTQY-GOEBONIOSA-N 0 3 295.471 2.192 20 70 CEIDHN CCOC(=O)CCN1CCC[C@@H]1c1cccc(C)n1 ZINC000160138925 162321413 /nfs/dbraw/zinc/32/14/13/162321413.db2.gz LPSYWNBKZFYTJO-CQSZACIVSA-N 0 3 262.353 2.480 20 70 CEIDHN OCC1(CNCc2cccc3c2OCCO3)CCCC1 ZINC000160077498 162323592 /nfs/dbraw/zinc/32/35/92/162323592.db2.gz IGKIKUWTVOOMLW-UHFFFAOYSA-N 0 3 277.364 2.100 20 70 CEIDHN CCCN1CCCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000160359279 162327191 /nfs/dbraw/zinc/32/71/91/162327191.db2.gz UZESBEJVESYZJE-CQSZACIVSA-N 0 3 250.386 2.287 20 70 CEIDHN CCN1CCCN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000159753750 279286639 /nfs/dbraw/zinc/28/66/39/279286639.db2.gz CINGSCYBDRJYCS-HZPDHXFCSA-N 0 3 287.407 2.280 20 70 CEIDHN CC[C@](C)(O)CN[C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000159431307 297428837 /nfs/dbraw/zinc/42/88/37/297428837.db2.gz WUVLCXCOCYDSLF-WFASDCNBSA-N 0 3 299.436 2.292 20 70 CEIDHN C[C@H](CN1CCOCC1)NCc1cc(F)cc(Cl)c1 ZINC000160838490 524356815 /nfs/dbraw/zinc/35/68/15/524356815.db2.gz LHSFWGWRIZJRMK-LLVKDONJSA-N 0 3 286.778 2.289 20 70 CEIDHN CC(C)CCN(CCCCS(C)(=O)=O)C1CC1 ZINC000161371572 539279428 /nfs/dbraw/zinc/27/94/28/539279428.db2.gz XMDAEELYTDPUBE-UHFFFAOYSA-N 0 3 261.431 2.322 20 70 CEIDHN CSCCNCc1cncc(Br)c1 ZINC000160577720 344459729 /nfs/dbraw/zinc/45/97/29/344459729.db2.gz WIDDKXDPEHAAFL-UHFFFAOYSA-N 0 3 261.188 2.297 20 70 CEIDHN COC(CN(C)[C@H]1CCCN(Cc2ccccc2)C1)OC ZINC000161357501 232253873 /nfs/dbraw/zinc/25/38/73/232253873.db2.gz CLNBKIRVVPCVRC-INIZCTEOSA-N 0 3 292.423 2.202 20 70 CEIDHN COc1ccccc1[C@@H]1CCN(C(=O)[C@@H](N)CC(C)C)C1 ZINC000160375079 188469399 /nfs/dbraw/zinc/46/93/99/188469399.db2.gz UZMATKONBXHUOF-HIFRSBDPSA-N 0 3 290.407 2.385 20 70 CEIDHN CCOc1cccc(CN2CCCC[C@H]2CCO)n1 ZINC000159726098 366942974 /nfs/dbraw/zinc/94/29/74/366942974.db2.gz BWTIKYKIICYWBY-AWEZNQCLSA-N 0 3 264.369 2.217 20 70 CEIDHN CC[C@H](C)[C@@H](C)NC(=O)N1CCCN(CC)CC1 ZINC000159750247 366944814 /nfs/dbraw/zinc/94/48/14/366944814.db2.gz PEEGACFSQGXKQT-QWHCGFSZSA-N 0 3 255.406 2.158 20 70 CEIDHN NC(=O)CC1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000159750333 366944898 /nfs/dbraw/zinc/94/48/98/366944898.db2.gz QQBARLAQNKJROP-UHFFFAOYSA-N 0 3 298.390 2.164 20 70 CEIDHN CCCCCCNC(=O)N1CCCN(CC)CC1 ZINC000159509308 366920721 /nfs/dbraw/zinc/92/07/21/366920721.db2.gz DDFDMBLEDBFLSM-UHFFFAOYSA-N 0 3 255.406 2.304 20 70 CEIDHN Cc1ccc(C(=O)CCN(C)CCn2cccn2)cc1 ZINC000159617884 366932487 /nfs/dbraw/zinc/93/24/87/366932487.db2.gz YTLTUEQMCCBSTA-UHFFFAOYSA-N 0 3 271.364 2.396 20 70 CEIDHN c1cn(CCN2CCN(CC3CCCCC3)CC2)cn1 ZINC000159782063 366947642 /nfs/dbraw/zinc/94/76/42/366947642.db2.gz UUROGSHOUQGQAI-UHFFFAOYSA-N 0 3 276.428 2.081 20 70 CEIDHN CCCCN(C)CCNC(=O)NCC1(C2CC2)CC1 ZINC000159838096 366953539 /nfs/dbraw/zinc/95/35/39/366953539.db2.gz QJZWYBTXLHQCQJ-UHFFFAOYSA-N 0 3 267.417 2.208 20 70 CEIDHN COc1ccccc1[C@H]1CCN(C(=O)[C@H]2CCCCN2)C1 ZINC000160375485 367001126 /nfs/dbraw/zinc/00/11/26/367001126.db2.gz PKJYVQPOWNPANX-DZGCQCFKSA-N 0 3 288.391 2.153 20 70 CEIDHN COc1ccccc1[C@H](C)N[C@H]1CCc2nc(C)nn2C1 ZINC000160413200 367004244 /nfs/dbraw/zinc/00/42/44/367004244.db2.gz XVVOWBZFHNQOAK-AAEUAGOBSA-N 0 3 286.379 2.261 20 70 CEIDHN CC1(C)[C@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCC(C)(C)CC1 ZINC000160480955 367009630 /nfs/dbraw/zinc/00/96/30/367009630.db2.gz KJBHOXOIQMGTDK-GDZNZVCISA-N 0 3 294.439 2.168 20 70 CEIDHN CC1(C)[C@H]2OCCC[C@H]2[C@@]1(N)C(=O)N1CCCC(C)(C)C1 ZINC000160547599 367015710 /nfs/dbraw/zinc/01/57/10/367015710.db2.gz QQWYSBKOIYMAMU-IIYDPXPESA-N 0 3 294.439 2.168 20 70 CEIDHN Cc1c(C(=O)N(C)CCN2CCCC2)cnn1CC(C)C ZINC000161366400 367080805 /nfs/dbraw/zinc/08/08/05/367080805.db2.gz NDHLUDCLLHYNHR-UHFFFAOYSA-N 0 3 292.427 2.015 20 70 CEIDHN CC[C@H](C(=O)NCCCSCC(C)C)N(C)C ZINC000160699109 367028869 /nfs/dbraw/zinc/02/88/69/367028869.db2.gz ZPDLQHMATVMSCW-GFCCVEGCSA-N 0 3 260.447 2.222 20 70 CEIDHN Cc1nn(C)c2ncc(CN3CCCSCC3)cc12 ZINC000161490281 367090661 /nfs/dbraw/zinc/09/06/61/367090661.db2.gz RAFAPLPADGJOKW-UHFFFAOYSA-N 0 3 276.409 2.216 20 70 CEIDHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000161053366 400284399 /nfs/dbraw/zinc/28/43/99/400284399.db2.gz XRNTVCXOWPPKRS-BFVZDQMLSA-N 0 3 282.359 2.385 20 70 CEIDHN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)C(C)(C)C)C1(C)C ZINC000160502736 286240678 /nfs/dbraw/zinc/24/06/78/286240678.db2.gz LHBAFIYJLFWEOT-IJLUTSLNSA-N 0 3 270.417 2.022 20 70 CEIDHN CC(C)Cc1ncc(CN2C[C@H](C(N)=O)CC[C@H]2C)s1 ZINC000159708875 162312833 /nfs/dbraw/zinc/31/28/33/162312833.db2.gz ZNZWVCTXLFOTAR-VXGBXAGGSA-N 0 3 295.452 2.427 20 70 CEIDHN CCC[C@H](N)C(=O)N1CCC[C@@H]1COc1ccccc1 ZINC000159846084 162315543 /nfs/dbraw/zinc/31/55/43/162315543.db2.gz SJAPISDFYUFGEP-HIFRSBDPSA-N 0 3 276.380 2.184 20 70 CEIDHN CC[C@H](N)C(=O)NCCCO[C@@H]1CCCc2ccccc21 ZINC000160125700 261206052 /nfs/dbraw/zinc/20/60/52/261206052.db2.gz DEBDZRMWCVRWRW-JKSUJKDBSA-N 0 3 290.407 2.324 20 70 CEIDHN CCN(CC)CC(=O)NCCCSCC(C)C ZINC000160765100 312641231 /nfs/dbraw/zinc/64/12/31/312641231.db2.gz RDSHPGSWAXJKKG-UHFFFAOYSA-N 0 3 260.447 2.224 20 70 CEIDHN CC[C@@H](NC[C@@H]1CC[C@H](C(N)=O)O1)c1ccc(F)cc1F ZINC000160783506 522856868 /nfs/dbraw/zinc/85/68/68/522856868.db2.gz KGLNMYJTJGQGJF-ZLKJLUDKSA-N 0 3 298.333 2.038 20 70 CEIDHN CSCC[C@@H](N)C(=O)N[C@H](C)CCC(C)(C)C ZINC000161232087 525546840 /nfs/dbraw/zinc/54/68/40/525546840.db2.gz IMCFINSIPHLYLV-GHMZBOCLSA-N 0 3 260.447 2.398 20 70 CEIDHN Cc1ccc([C@H]2CN(C(=O)[C@@H](N)C(C)C)CCO2)c(C)c1 ZINC000161474875 526021613 /nfs/dbraw/zinc/02/16/13/526021613.db2.gz RMQMVVAIPRNVEP-CVEARBPZSA-N 0 3 290.407 2.187 20 70 CEIDHN CCCN(CC1CC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160641675 344460317 /nfs/dbraw/zinc/46/03/17/344460317.db2.gz PNNVEMICORUHHA-HNNXBMFYSA-N 0 3 279.428 2.302 20 70 CEIDHN CC1(C)CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000160727247 344461262 /nfs/dbraw/zinc/46/12/62/344461262.db2.gz KIMUFMXJVQWKIT-CQSZACIVSA-N 0 3 279.428 2.302 20 70 CEIDHN c1ncc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)s1 ZINC000159462591 540409290 /nfs/dbraw/zinc/40/92/90/540409290.db2.gz FYUKZUPSKBINHP-TUAOUCFPSA-N 0 3 250.367 2.190 20 70 CEIDHN C[C@H](CC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccncc1 ZINC000161105167 540725774 /nfs/dbraw/zinc/72/57/74/540725774.db2.gz WFPJEGLGOSNXFF-UMVBOHGHSA-N 0 3 287.407 2.317 20 70 CEIDHN Cc1cccc(N2CCN(CCn3ccnc3)CC2)c1 ZINC000159704911 366941623 /nfs/dbraw/zinc/94/16/23/366941623.db2.gz QOGDSQGGGNLQJW-UHFFFAOYSA-N 0 3 270.380 2.014 20 70 CEIDHN N[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCc2ccccc21 ZINC000159729451 366943394 /nfs/dbraw/zinc/94/33/94/366943394.db2.gz SCNLZMJOQXBCNA-SJLPKXTDSA-N 0 3 294.398 2.403 20 70 CEIDHN COc1ccccc1/C=C/CN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000159604974 366931617 /nfs/dbraw/zinc/93/16/17/366931617.db2.gz GJFXUDWGRDZNSS-KSLFURFDSA-N 0 3 288.391 2.294 20 70 CEIDHN CC[C@@H](N)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159810436 366949660 /nfs/dbraw/zinc/94/96/60/366949660.db2.gz DSPNUWXUFAEGIJ-DGCLKSJQSA-N 0 3 266.772 2.393 20 70 CEIDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccnc(Cl)c1F ZINC000159897123 366958325 /nfs/dbraw/zinc/95/83/25/366958325.db2.gz IGYPGOPMQUGYSI-JTQLQIEISA-N 0 3 299.777 2.478 20 70 CEIDHN CCN(C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000160087087 366971375 /nfs/dbraw/zinc/97/13/75/366971375.db2.gz HAFFHJBFNVPPNW-DZGCQCFKSA-N 0 3 275.396 2.311 20 70 CEIDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ccsc1 ZINC000160639828 367024021 /nfs/dbraw/zinc/02/40/21/367024021.db2.gz LTWFJJRYHGORQY-WDMOLILDSA-N 0 3 280.393 2.219 20 70 CEIDHN OC1(CNCc2ccc(Cl)cc2F)CCOCC1 ZINC000160864823 367040007 /nfs/dbraw/zinc/04/00/07/367040007.db2.gz PGWIIMZKSXBYAC-UHFFFAOYSA-N 0 3 273.735 2.110 20 70 CEIDHN CSCC[C@@H](N)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000160894301 367040617 /nfs/dbraw/zinc/04/06/17/367040617.db2.gz NMDVLVMDBGRXNO-YRGRVCCFSA-N 0 3 280.437 2.375 20 70 CEIDHN C[C@H](N)C(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000161045394 367051301 /nfs/dbraw/zinc/05/13/01/367051301.db2.gz IERQDIZGOLEQPV-NRUUGDAUSA-N 0 3 250.317 2.082 20 70 CEIDHN COCCC1(C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000161035832 367051369 /nfs/dbraw/zinc/05/13/69/367051369.db2.gz UNWVDOTUWFPYOW-CQSZACIVSA-N 0 3 282.428 2.040 20 70 CEIDHN CC[C@H](N)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000161247594 367071772 /nfs/dbraw/zinc/07/17/72/367071772.db2.gz DXMDUMIERUDBIF-OSMZGAPFSA-N 0 3 264.344 2.267 20 70 CEIDHN CCN(CC)[C@@H](CNCc1cn(C)nc1C)c1ccco1 ZINC000161267665 367073177 /nfs/dbraw/zinc/07/31/77/367073177.db2.gz HKWVLXGNUVXMKG-HNNXBMFYSA-N 0 3 290.411 2.494 20 70 CEIDHN CC[C@H](C(=O)NCc1ccccc1OC(F)F)N(C)C ZINC000161404165 367083154 /nfs/dbraw/zinc/08/31/54/367083154.db2.gz JLNWCLARFNPNQA-LLVKDONJSA-N 0 3 286.322 2.244 20 70 CEIDHN COc1ccc(N(C)C(=O)[C@@H]2CCCCN2)cc1Cl ZINC000161441031 367086505 /nfs/dbraw/zinc/08/65/05/367086505.db2.gz VEQDZGSFWQSECU-LBPRGKRZSA-N 0 3 282.771 2.454 20 70 CEIDHN CC(C)c1ncc(C(=O)N2CCC[C@H](N(C)C)C2)s1 ZINC000161480335 367090191 /nfs/dbraw/zinc/09/01/91/367090191.db2.gz BQZSCIKWTXWLOR-NSHDSACASA-N 0 3 281.425 2.433 20 70 CEIDHN CCn1cc([C@@H](C)NC[C@@H](CO)c2ccccc2)cn1 ZINC000161508363 367092287 /nfs/dbraw/zinc/09/22/87/367092287.db2.gz VPRMRBKLTAGDOU-CJNGLKHVSA-N 0 3 273.380 2.330 20 70 CEIDHN COC(CN1CCC([C@H](O)c2ccc(F)cc2)CC1)OC ZINC000161023861 284655383 /nfs/dbraw/zinc/65/53/83/284655383.db2.gz OGSHDAHTSNTVQF-MRXNPFEDSA-N 0 3 297.370 2.190 20 70 CEIDHN CCS[C@H]1CCCCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000159767029 162311952 /nfs/dbraw/zinc/31/19/52/162311952.db2.gz JROAZFWNNXQALH-RYUDHWBXSA-N 0 3 258.431 2.104 20 70 CEIDHN CCN1CCCN(C(=O)NC[C@H]2CC=CCC2)CC1 ZINC000159771805 162313770 /nfs/dbraw/zinc/31/37/70/162313770.db2.gz OTQCUVHACPCIID-AWEZNQCLSA-N 0 3 265.401 2.080 20 70 CEIDHN CCCCCOCC(=O)N1CCCN(CCC)CC1 ZINC000160375941 162327677 /nfs/dbraw/zinc/32/76/77/162327677.db2.gz STHVESGJHGKJTH-UHFFFAOYSA-N 0 3 270.417 2.138 20 70 CEIDHN CS[C@H](C)CC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000161380725 297444626 /nfs/dbraw/zinc/44/46/26/297444626.db2.gz GGKXNGCFUNEEMQ-CHWSQXEVSA-N 0 3 272.458 2.365 20 70 CEIDHN CC(C)C1CCN(C(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000161267653 519570265 /nfs/dbraw/zinc/57/02/65/519570265.db2.gz OWBBNKZAASQHMO-UHFFFAOYSA-N 0 3 286.419 2.377 20 70 CEIDHN COc1ccc(CCN(C)Cc2cnn(C)c2)cc1 ZINC000161057416 523940609 /nfs/dbraw/zinc/94/06/09/523940609.db2.gz GXCKMELOTFHSSD-UHFFFAOYSA-N 0 3 259.353 2.103 20 70 CEIDHN C[C@H](N)C(=O)N[C@@H](COCc1ccccc1)c1ccccc1 ZINC000161303649 524822996 /nfs/dbraw/zinc/82/29/96/524822996.db2.gz IGXRMQIDKCYHNQ-YOEHRIQHSA-N 0 3 298.386 2.408 20 70 CEIDHN CC(C)OC[C@H](O)CN(CCc1nccs1)C(C)C ZINC000159874648 528028308 /nfs/dbraw/zinc/02/83/08/528028308.db2.gz GSGKBNJCBYGFNH-CYBMUJFWSA-N 0 3 286.441 2.182 20 70 CEIDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1cccs1)CC2 ZINC000160368856 282117637 /nfs/dbraw/zinc/11/76/37/282117637.db2.gz JHKCXZPJBASKNC-ONGXEEELSA-N 0 3 262.382 2.314 20 70 CEIDHN Cc1nc2n(n1)C[C@H](N[C@@H]1CCc3ccccc31)CC2 ZINC000160371803 282126751 /nfs/dbraw/zinc/12/67/51/282126751.db2.gz FQJLVCZGIJWIOG-UKRRQHHQSA-N 0 3 268.364 2.178 20 70 CEIDHN C[C@H](Cc1ccccc1F)C(=O)NC[C@H]1CCCN(C)C1 ZINC000159513509 344455050 /nfs/dbraw/zinc/45/50/50/344455050.db2.gz LVLIQGJOPMIOKC-ZIAGYGMSSA-N 0 3 292.398 2.462 20 70 CEIDHN C[C@@H](C(=O)NC[C@@H]1CCCN1C)c1ccsc1 ZINC000160136702 344457760 /nfs/dbraw/zinc/45/77/60/344457760.db2.gz QAMLWDLRSIWDFX-PWSUYJOCSA-N 0 3 252.383 2.062 20 70 CEIDHN C[C@H](CCc1cccc(F)c1)C(=O)N1CCCNCC1 ZINC000160823795 188493574 /nfs/dbraw/zinc/49/35/74/188493574.db2.gz FGJHVZRHDBZWTP-CYBMUJFWSA-N 0 3 278.371 2.216 20 70 CEIDHN CCCn1nccc1CN[C@@H](C)CN1CCCCC1 ZINC000160084687 540111630 /nfs/dbraw/zinc/11/16/30/540111630.db2.gz BZBBIHRFPFPQCV-AWEZNQCLSA-N 0 3 264.417 2.257 20 70 CEIDHN CC(C)OCCNC[C@H](O)COc1ccccc1Cl ZINC000160199393 540113458 /nfs/dbraw/zinc/11/34/58/540113458.db2.gz VWDMXMJQYRTOGQ-LBPRGKRZSA-N 0 3 287.787 2.094 20 70 CEIDHN C[C@@H](CNCc1cnc2ccccc2n1)N(C)C1CC1 ZINC000217620309 540449004 /nfs/dbraw/zinc/44/90/04/540449004.db2.gz FSORKNOLMUPZDZ-LBPRGKRZSA-N 0 3 270.380 2.202 20 70 CEIDHN Cc1cccc2c1CC[C@H]2NCC(=O)NCC(F)(F)F ZINC000160532621 540616658 /nfs/dbraw/zinc/61/66/58/540616658.db2.gz PDPUCWDLIIBNMB-GFCCVEGCSA-N 0 3 286.297 2.250 20 70 CEIDHN CC(C)[C@H](N)C(=O)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000159724235 366943237 /nfs/dbraw/zinc/94/32/37/366943237.db2.gz KDZGNNJRSBJNQY-KKUMJFAQSA-N 0 3 260.381 2.422 20 70 CEIDHN CCc1nc2c(s1)[C@H](NCCN(C)CCOC)CCC2 ZINC000159367237 366906462 /nfs/dbraw/zinc/90/64/62/366906462.db2.gz YAAIXLVZYHHDFI-GFCCVEGCSA-N 0 3 297.468 2.251 20 70 CEIDHN CCN1CCCN(C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000159507963 366921385 /nfs/dbraw/zinc/92/13/85/366921385.db2.gz WYEOZMDONQFGCF-CQSZACIVSA-N 0 3 275.396 2.485 20 70 CEIDHN CCOC(CCNCc1cccc2c1OCO2)OCC ZINC000159538345 366924105 /nfs/dbraw/zinc/92/41/05/366924105.db2.gz WNEDVKVMKSXQHS-UHFFFAOYSA-N 0 3 281.352 2.294 20 70 CEIDHN CC(C)(NCCN1C(=O)CCC1=O)c1ccc(Cl)cc1 ZINC000159626460 366932727 /nfs/dbraw/zinc/93/27/27/366932727.db2.gz BTRPZVPXPNOCHO-UHFFFAOYSA-N 0 3 294.782 2.314 20 70 CEIDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC1(C)CCC1 ZINC000159828766 366952009 /nfs/dbraw/zinc/95/20/09/366952009.db2.gz LSJIJKQCQHRGMQ-OAHLLOKOSA-N 0 3 289.423 2.401 20 70 CEIDHN C/C(=C\c1ccc(Cl)cc1)CNCC(=O)N(C)C ZINC000159891739 366956991 /nfs/dbraw/zinc/95/69/91/366956991.db2.gz MXPYVLQTUQQORZ-DHZHZOJOSA-N 0 3 266.772 2.421 20 70 CEIDHN COC(=O)CCCN(CCc1nccs1)C(C)C ZINC000159858552 366955113 /nfs/dbraw/zinc/95/51/13/366955113.db2.gz ISYFKUHGTLRFJM-UHFFFAOYSA-N 0 3 270.398 2.349 20 70 CEIDHN CC[C@@H]1CCC[C@@H]1NC(=O)N1CCCN(CC)CC1 ZINC000159973290 366962043 /nfs/dbraw/zinc/96/20/43/366962043.db2.gz LUHKOAYYUMUAOH-KGLIPLIRSA-N 0 3 267.417 2.302 20 70 CEIDHN CC[C@H](C(=O)NC[C@@H](C)Cc1cccs1)N(C)C ZINC000160177905 366979491 /nfs/dbraw/zinc/97/94/91/366979491.db2.gz CWLHBPDRZDFKIU-WCQYABFASA-N 0 3 268.426 2.383 20 70 CEIDHN C[C@@H](CN1CCCCC1)NC(=O)NC[C@]1(C)CCCS1 ZINC000160305494 366992889 /nfs/dbraw/zinc/99/28/89/366992889.db2.gz WIBKFQVYTFLSOV-ZFWWWQNUSA-N 0 3 299.484 2.446 20 70 CEIDHN COCC[C@H](C)NCc1cncc(Br)c1 ZINC000160581433 367019968 /nfs/dbraw/zinc/01/99/68/367019968.db2.gz JFHDZEBANUJSMK-VIFPVBQESA-N 0 3 273.174 2.359 20 70 CEIDHN COc1cc(C)nc(CN2CCC[C@H]2C[C@@H](C)O)c1 ZINC000160428294 367005694 /nfs/dbraw/zinc/00/56/94/367005694.db2.gz BMNOGAOIWPIXAD-OCCSQVGLSA-N 0 3 264.369 2.134 20 70 CEIDHN CSCC[C@@H](N)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000160894554 367041404 /nfs/dbraw/zinc/04/14/04/367041404.db2.gz NMDVLVMDBGRXNO-MBNYWOFBSA-N 0 3 280.437 2.375 20 70 CEIDHN Cn1cc(C[C@H]2CCN(Cc3cnc4ccccn34)C2)cn1 ZINC000160928329 367044384 /nfs/dbraw/zinc/04/43/84/367044384.db2.gz HAIGFKASNRAFDR-CQSZACIVSA-N 0 3 295.390 2.132 20 70 CEIDHN CSc1cc2c(cc1CNC(C)(C)[C@@H](C)O)OCCO2 ZINC000161130798 367061150 /nfs/dbraw/zinc/06/11/50/367061150.db2.gz GRZONGRXFXQCEN-SNVBAGLBSA-N 0 3 297.420 2.429 20 70 CEIDHN CC[C@H](C)[C@H](N)C(=O)NC[C@@H](C)Oc1ccccc1F ZINC000161162881 367063448 /nfs/dbraw/zinc/06/34/48/367063448.db2.gz DRIXRKZBMOEDMO-WDMOLILDSA-N 0 3 282.359 2.083 20 70 CEIDHN CCOc1ccc(OCCN2CCC(C)(O)CC2)cc1 ZINC000161204386 367068280 /nfs/dbraw/zinc/06/82/80/367068280.db2.gz CICLAWXIQKQJSW-UHFFFAOYSA-N 0 3 279.380 2.311 20 70 CEIDHN CN1CCN(CCCNCc2ccc(Cl)cc2F)CC1 ZINC000160663660 367025984 /nfs/dbraw/zinc/02/59/84/367025984.db2.gz LBVRBPCFGGHVNF-UHFFFAOYSA-N 0 3 299.821 2.206 20 70 CEIDHN CCCN1CCCN(C(=O)Nc2nc(C)cs2)CC1 ZINC000160011845 162319967 /nfs/dbraw/zinc/31/99/67/162319967.db2.gz RGRBVMYKODEUFB-UHFFFAOYSA-N 0 3 282.413 2.401 20 70 CEIDHN CCCN1CCCN(C(=O)[C@H](C)OCCC(C)C)CC1 ZINC000160375228 162326932 /nfs/dbraw/zinc/32/69/32/162326932.db2.gz WBSOTNRGHVSATN-HNNXBMFYSA-N 0 3 284.444 2.382 20 70 CEIDHN C[C@H](N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccccn1 ZINC000160851249 162327014 /nfs/dbraw/zinc/32/70/14/162327014.db2.gz TVASAEHDZQXSRR-GUTXKFCHSA-N 0 3 262.353 2.070 20 70 CEIDHN C[C@H](N)C(=O)N1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000161182485 279392343 /nfs/dbraw/zinc/39/23/43/279392343.db2.gz WDFLAGBGGBCVFL-GVXVVHGQSA-N 0 3 264.394 2.039 20 70 CEIDHN CCCN(CCN(C)C)C(=O)c1cc(C)c(C)o1 ZINC000159394760 297428669 /nfs/dbraw/zinc/42/86/69/297428669.db2.gz PATMJCSJDZNNGV-UHFFFAOYSA-N 0 3 252.358 2.310 20 70 CEIDHN CC[C@H](C)[C@@H](N)C(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000159438781 521836342 /nfs/dbraw/zinc/83/63/42/521836342.db2.gz NHIJTKXWQFGDJI-JOYOIKCWSA-N 0 3 266.389 2.310 20 70 CEIDHN CCCn1nccc1CNC1CCN(C(=O)C(C)C)CC1 ZINC000160083484 540111547 /nfs/dbraw/zinc/11/15/47/540111547.db2.gz QVNOMYMDSMVIJQ-UHFFFAOYSA-N 0 3 292.427 2.030 20 70 CEIDHN CCCn1nccc1CNCCCn1nc(C)cc1C ZINC000160216003 540113385 /nfs/dbraw/zinc/11/33/85/540113385.db2.gz XSDLQBZERMINKC-UHFFFAOYSA-N 0 3 275.400 2.286 20 70 CEIDHN NCC(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000159674068 366938998 /nfs/dbraw/zinc/93/89/98/366938998.db2.gz YEYRJMHCGGUOMD-UHFFFAOYSA-N 0 3 264.394 2.166 20 70 CEIDHN CCOc1cccc(CN2CCC(CC(N)=O)CC2)c1 ZINC000159717261 366941818 /nfs/dbraw/zinc/94/18/18/366941818.db2.gz TZDTWVQUNGGSMO-UHFFFAOYSA-N 0 3 276.380 2.173 20 70 CEIDHN CS[C@@H](C)CNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000159785963 366947893 /nfs/dbraw/zinc/94/78/93/366947893.db2.gz FUTIJYUFSUSNEP-STQMWFEESA-N 0 3 287.473 2.158 20 70 CEIDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ccc(F)cc1 ZINC000160019004 366965427 /nfs/dbraw/zinc/96/54/27/366965427.db2.gz BWJARHAKQLKVCK-IOASZLSFSA-N 0 3 292.354 2.297 20 70 CEIDHN CCCN(CCc1cccc(F)c1)C(=O)[C@@H](N)CC ZINC000160097098 366973164 /nfs/dbraw/zinc/97/31/64/366973164.db2.gz YLQGBONQMJQKHN-AWEZNQCLSA-N 0 3 266.360 2.344 20 70 CEIDHN COC[C@@H](NCc1cn2c(cccc2C)n1)C1CC1 ZINC000160346405 366997926 /nfs/dbraw/zinc/99/79/26/366997926.db2.gz VYOLDSCPYOWPFO-CQSZACIVSA-N 0 3 259.353 2.157 20 70 CEIDHN CCC[C@H](N)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160395410 367002652 /nfs/dbraw/zinc/00/26/52/367002652.db2.gz HRSQCUOTRAQNOA-ZFWWWQNUSA-N 0 3 278.371 2.344 20 70 CEIDHN COCc1ccc(CN[C@H]2CCOC(C)(C)C2)o1 ZINC000160469757 367009938 /nfs/dbraw/zinc/00/99/38/367009938.db2.gz IDOIWGWDOSUNDU-NSHDSACASA-N 0 3 253.342 2.473 20 70 CEIDHN CC(C)CCn1ccc(NC(=O)N2CC[C@H](N(C)C)C2)n1 ZINC000161307217 367076379 /nfs/dbraw/zinc/07/63/79/367076379.db2.gz MSYPYSUKAQNHHO-ZDUSSCGKSA-N 0 3 293.415 2.097 20 70 CEIDHN CCC(CC)n1ncc(C(=O)NC[C@H]2CCN(C)C2)c1C ZINC000160654095 367025656 /nfs/dbraw/zinc/02/56/56/367025656.db2.gz OIFADBRHUFVXLM-CYBMUJFWSA-N 0 3 292.427 2.234 20 70 CEIDHN CCN1CCCN(C(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000159678155 285215598 /nfs/dbraw/zinc/21/55/98/285215598.db2.gz FIRGHRQMHRXNKF-KBPBESRZSA-N 0 3 267.417 2.302 20 70 CEIDHN NC1(C(=O)N2CC3(CCCC3)c3ccccc32)CC1 ZINC000159367259 395058221 /nfs/dbraw/zinc/05/82/21/395058221.db2.gz LGYNXZKBBAKWQR-UHFFFAOYSA-N 0 3 256.349 2.336 20 70 CEIDHN COCCN(C)CCN[C@H]1CCCOc2ccccc21 ZINC000159389835 395058567 /nfs/dbraw/zinc/05/85/67/395058567.db2.gz WUSYJEHILYXNFH-HNNXBMFYSA-N 0 3 278.396 2.068 20 70 CEIDHN CC[C@H](N)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000161247378 395063802 /nfs/dbraw/zinc/06/38/02/395063802.db2.gz DXMDUMIERUDBIF-JKOKRWQUSA-N 0 3 264.344 2.267 20 70 CEIDHN O=C(NCc1ccccc1)N1CC[C@@H](N2CCCC2)C1 ZINC000217402509 153296831 /nfs/dbraw/zinc/29/68/31/153296831.db2.gz FYVUCPLCMPXLOU-OAHLLOKOSA-N 0 3 273.380 2.066 20 70 CEIDHN CCOCCC1(CNC(=O)CN(C)C(C)C)CCC1 ZINC000159719756 162313812 /nfs/dbraw/zinc/31/38/12/162313812.db2.gz CVJOQJQWEDQJND-UHFFFAOYSA-N 0 3 270.417 2.040 20 70 CEIDHN C[C@@H](NCCN(C)Cc1ccc(F)cc1)c1cnccn1 ZINC000160121871 162323218 /nfs/dbraw/zinc/32/32/18/162323218.db2.gz CJQLNQIIUVQHKE-CYBMUJFWSA-N 0 3 288.370 2.398 20 70 CEIDHN Cc1nc2ccccn2c1CN1CCCC[C@@H]1[C@@H](C)O ZINC000160210886 162324963 /nfs/dbraw/zinc/32/49/63/162324963.db2.gz GXGLPWCWKILWDQ-ZIAGYGMSSA-N 0 3 273.380 2.378 20 70 CEIDHN CC(C)CSCCCNC(=O)[C@H](C(C)C)N(C)C ZINC000160704637 277430950 /nfs/dbraw/zinc/43/09/50/277430950.db2.gz WQGXADGQWVOHDW-ZDUSSCGKSA-N 0 3 274.474 2.468 20 70 CEIDHN C[C@H](CN1CCCCC1)NC(=O)N1CCC2(CCC2)C1 ZINC000160304037 289562607 /nfs/dbraw/zinc/56/26/07/289562607.db2.gz ZJBREXDJAFFKCY-CQSZACIVSA-N 0 3 279.428 2.446 20 70 CEIDHN CCN(CC)C(=O)Nc1ccc([C@H](C)NCCO)cc1 ZINC000159674374 312632829 /nfs/dbraw/zinc/63/28/29/312632829.db2.gz GFUGLIYDXVKRGX-LBPRGKRZSA-N 0 3 279.384 2.203 20 70 CEIDHN CCOc1cc(Cl)ccc1NC(=O)[C@]1(F)CCNC1 ZINC000161503762 520741748 /nfs/dbraw/zinc/74/17/48/520741748.db2.gz BYHYRZZWYQIKDA-ZDUSSCGKSA-N 0 3 286.734 2.379 20 70 CEIDHN CC[C@@H](NC[C@H]1CC[C@H](C(N)=O)O1)c1ccc(F)cc1F ZINC000160783774 522867141 /nfs/dbraw/zinc/86/71/41/522867141.db2.gz KGLNMYJTJGQGJF-LERXQTSPSA-N 0 3 298.333 2.038 20 70 CEIDHN C[C@H]1CCC[C@@H](C(=O)NCCN2CCCCC2)C1 ZINC000160571166 524127800 /nfs/dbraw/zinc/12/78/00/524127800.db2.gz QSHLLEYEODIXKL-UONOGXRCSA-N 0 3 252.402 2.415 20 70 CEIDHN C[C@H](NC[C@@H]1CC(=O)Nc2ccccc21)c1cnccn1 ZINC000160609331 525385009 /nfs/dbraw/zinc/38/50/09/525385009.db2.gz BHSOUZZVUAAMBP-RYUDHWBXSA-N 0 3 282.347 2.253 20 70 CEIDHN Cc1ccn(-c2ccccc2NC(=O)C2CCN(C)CC2)n1 ZINC000161272737 525563916 /nfs/dbraw/zinc/56/39/16/525563916.db2.gz MGIAOMIJFXCHJP-UHFFFAOYSA-N 0 3 298.390 2.461 20 70 CEIDHN CC(C)(C)CCC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000159489299 344455081 /nfs/dbraw/zinc/45/50/81/344455081.db2.gz XSRFVJGFGFWSPT-CYBMUJFWSA-N 0 3 252.402 2.413 20 70 CEIDHN CCC[C@H](N)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160395169 188469886 /nfs/dbraw/zinc/46/98/86/188469886.db2.gz HRSQCUOTRAQNOA-HIFRSBDPSA-N 0 3 278.371 2.344 20 70 CEIDHN CCOC(C)(C)CNC(=O)Nc1cccc(CN)c1 ZINC000159605976 540099449 /nfs/dbraw/zinc/09/94/49/540099449.db2.gz RMFNYKKKGPJUSY-UHFFFAOYSA-N 0 3 265.357 2.082 20 70 CEIDHN Cc1ccc([C@H](C)CNC(=O)[C@@H]2CCCCN2)cc1 ZINC000159658501 366937178 /nfs/dbraw/zinc/93/71/78/366937178.db2.gz BLPQXCPWQNZDNE-HIFRSBDPSA-N 0 3 260.381 2.357 20 70 CEIDHN CC[C@H](N)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159810090 366949809 /nfs/dbraw/zinc/94/98/09/366949809.db2.gz DSPNUWXUFAEGIJ-AAEUAGOBSA-N 0 3 266.772 2.393 20 70 CEIDHN CS[C@H](C)CNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000159785841 366948390 /nfs/dbraw/zinc/94/83/90/366948390.db2.gz FUTIJYUFSUSNEP-CHWSQXEVSA-N 0 3 287.473 2.158 20 70 CEIDHN CCOCCC1(CN[C@H](C(N)=O)c2ccccc2)CCC1 ZINC000159983594 366963879 /nfs/dbraw/zinc/96/38/79/366963879.db2.gz JUTJNGXODCESPJ-HNNXBMFYSA-N 0 3 290.407 2.400 20 70 CEIDHN C[C@H](C(=O)NC[C@@H]1CCCN1C)c1cccs1 ZINC000160134724 366975965 /nfs/dbraw/zinc/97/59/65/366975965.db2.gz RVVSGSMFHZIPLF-QWRGUYRKSA-N 0 3 252.383 2.062 20 70 CEIDHN COc1cc2c(cc1CN[C@@]1(C)CCOC1)O[C@@H](C)C2 ZINC000160184042 366981517 /nfs/dbraw/zinc/98/15/17/366981517.db2.gz MFRPQLWMGKJICS-ZBEGNZNMSA-N 0 3 277.364 2.287 20 70 CEIDHN C[C@H]1OCCN(CC2CCN(C(=O)C(C)(C)C)CC2)[C@H]1C ZINC000160284519 366990316 /nfs/dbraw/zinc/99/03/16/366990316.db2.gz DZQWTLJWFSRKES-UONOGXRCSA-N 0 3 296.455 2.380 20 70 CEIDHN Cc1nc2ccccn2c1CN1CCCC[C@H]1CCO ZINC000160318508 366995302 /nfs/dbraw/zinc/99/53/02/366995302.db2.gz MLDGBAUOMBGKNS-AWEZNQCLSA-N 0 3 273.380 2.380 20 70 CEIDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCC(C)(C)O ZINC000160625852 367022456 /nfs/dbraw/zinc/02/24/56/367022456.db2.gz GMSDIKSJYXVERE-SNVBAGLBSA-N 0 3 253.390 2.368 20 70 CEIDHN CC(C)CN1CCC[C@@H]1CNC(=O)c1ccco1 ZINC000160499379 367011302 /nfs/dbraw/zinc/01/13/02/367011302.db2.gz ITAUPBBRNMJCQP-GFCCVEGCSA-N 0 3 250.342 2.130 20 70 CEIDHN COc1ccc([C@H](C)[C@@H](C)NCC(=O)NC(C)C)cc1 ZINC000160972014 367047469 /nfs/dbraw/zinc/04/74/69/367047469.db2.gz JRCCPBIXRKPTKY-CHWSQXEVSA-N 0 3 278.396 2.301 20 70 CEIDHN CC[C@H](C(=O)N[C@H](C)COc1cccc(C)c1)N(C)C ZINC000161109400 367058002 /nfs/dbraw/zinc/05/80/02/367058002.db2.gz WZVIXNMYFSUPDW-UKRRQHHQSA-N 0 3 278.396 2.219 20 70 CEIDHN CSCC[C@@H](N)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000161171210 367064311 /nfs/dbraw/zinc/06/43/11/367064311.db2.gz JJGBTMVWXALITD-TZMCWYRMSA-N 0 3 280.437 2.295 20 70 CEIDHN CC[C@H](N[C@H](C)CC(N)=O)c1ccc(OC)c(OC)c1 ZINC000161369255 367081244 /nfs/dbraw/zinc/08/12/44/367081244.db2.gz JIWPDUMXYAAMOX-PWSUYJOCSA-N 0 3 280.368 2.008 20 70 CEIDHN CC(C)OCCCN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161263472 367073481 /nfs/dbraw/zinc/07/34/81/367073481.db2.gz URLILEBTOUTYBF-GFCCVEGCSA-N 0 3 283.334 2.437 20 70 CEIDHN C[C@H](N)C(=O)NC(c1cccs1)c1cccs1 ZINC000161299214 367076204 /nfs/dbraw/zinc/07/62/04/367076204.db2.gz SBDHUEDGKSTVRO-QMMMGPOBSA-N 0 3 266.391 2.362 20 70 CEIDHN CCc1ncnc(NC[C@H]2CCN(C3CC3)C2)c1F ZINC000217970477 370203322 /nfs/dbraw/zinc/20/33/22/370203322.db2.gz NLMJHLWCFBGLKA-SNVBAGLBSA-N 0 3 264.348 2.074 20 70 CEIDHN CCN1CCCN(C(=O)N[C@H]2CCCC2(C)C)CC1 ZINC000159954319 285214701 /nfs/dbraw/zinc/21/47/01/285214701.db2.gz HJMYMTCTVRITBO-ZDUSSCGKSA-N 0 3 267.417 2.302 20 70 CEIDHN CC(C)C[C@@H]1CCN(C(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000159611119 395058655 /nfs/dbraw/zinc/05/86/55/395058655.db2.gz ROUQTQGHAGCEMI-HOTGVXAUSA-N 0 3 274.408 2.451 20 70 CEIDHN CC[C@H](C(=O)N[C@H]1C[C@@H]1C1CCCCC1)N(C)C ZINC000160097757 395060094 /nfs/dbraw/zinc/06/00/94/395060094.db2.gz KDTYJUKWGIIHRD-HZSPNIEDSA-N 0 3 252.402 2.412 20 70 CEIDHN Cc1cc(N2CCS(=O)(=O)[C@H](C)C2)c2ccccc2n1 ZINC000160757914 395061998 /nfs/dbraw/zinc/06/19/98/395061998.db2.gz COXUNXFINYRHLN-GFCCVEGCSA-N 0 3 290.388 2.167 20 70 CEIDHN C[C@@H](N)C(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000161046292 400283718 /nfs/dbraw/zinc/28/37/18/400283718.db2.gz IERQDIZGOLEQPV-OPQQBVKSSA-N 0 3 250.317 2.082 20 70 CEIDHN CN(C)Cc1cccc(NC(=O)[C@H]2CCn3ccnc3C2)c1 ZINC000159731494 162313341 /nfs/dbraw/zinc/31/33/41/162313341.db2.gz ZAFQDWCGSGWJSD-AWEZNQCLSA-N 0 3 298.390 2.146 20 70 CEIDHN CC[C@H](C)CN(C)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160112730 162323580 /nfs/dbraw/zinc/32/35/80/162323580.db2.gz MPVOWEGYQYWHHJ-RSUWNVLCSA-N 0 3 282.428 2.023 20 70 CEIDHN Cc1nc2n(n1)C[C@@H](N[C@H]1CCc3cc(F)ccc31)CC2 ZINC000160305026 274854200 /nfs/dbraw/zinc/85/42/00/274854200.db2.gz KGWZIARZSHVIFB-ZFWWWQNUSA-N 0 3 286.354 2.318 20 70 CEIDHN CC[C@H](NC(=O)NC[C@@H]1CCCN(C)C1)c1nccs1 ZINC000159455728 344455075 /nfs/dbraw/zinc/45/50/75/344455075.db2.gz VDGCVKGADNMYOA-RYUDHWBXSA-N 0 3 296.440 2.235 20 70 CEIDHN C[C@H](C(=O)N[C@H]1CCN(CC2CC2)C1)c1ccsc1 ZINC000159497114 344455254 /nfs/dbraw/zinc/45/52/54/344455254.db2.gz HUOJCMYGUMMOOU-FZMZJTMJSA-N 0 3 278.421 2.452 20 70 CEIDHN CN1CCC[C@@H]1CNc1ccc(C(F)(F)F)nn1 ZINC000217991055 538888600 /nfs/dbraw/zinc/88/86/00/538888600.db2.gz BEZFTUPVUUPUKK-MRVPVSSYSA-N 0 3 260.263 2.002 20 70 CEIDHN CC(C)OC(=O)CCCNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000159376886 366906902 /nfs/dbraw/zinc/90/69/02/366906902.db2.gz HZDUUQQEEABYNR-MCIONIFRSA-N 0 3 298.427 2.096 20 70 CEIDHN COc1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1O ZINC000159514941 366920646 /nfs/dbraw/zinc/92/06/46/366920646.db2.gz WHJVGXYNEIEXAL-WQVCFCJDSA-N 0 3 289.375 2.448 20 70 CEIDHN CC(C)C[C@H]1CCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000159610963 366932860 /nfs/dbraw/zinc/93/28/60/366932860.db2.gz ROUQTQGHAGCEMI-HZPDHXFCSA-N 0 3 274.408 2.451 20 70 CEIDHN CN(C)[C@@H](CNC(=O)C1=CCCC1)Cc1ccccc1 ZINC000159634120 366934087 /nfs/dbraw/zinc/93/40/87/366934087.db2.gz DXCOIFGASCFJOX-MRXNPFEDSA-N 0 3 272.392 2.386 20 70 CEIDHN Cc1ccc([C@H](C)CNC(=O)[C@H]2CCCCN2)cc1 ZINC000159655969 366935788 /nfs/dbraw/zinc/93/57/88/366935788.db2.gz BLPQXCPWQNZDNE-UKRRQHHQSA-N 0 3 260.381 2.357 20 70 CEIDHN Cc1ccc(F)c(OCC(=O)N(C)[C@@H]2CCCN(C)C2)c1 ZINC000159918572 366959186 /nfs/dbraw/zinc/95/91/86/366959186.db2.gz SAHWXDRVKDTNFP-CYBMUJFWSA-N 0 3 294.370 2.066 20 70 CEIDHN C[C@H]1C[C@H](NC(=O)NCC2(C3CC3)CCC2)CN1C1CC1 ZINC000159999033 366964188 /nfs/dbraw/zinc/96/41/88/366964188.db2.gz LKZQGULGSLKINL-JSGCOSHPSA-N 0 3 291.439 2.491 20 70 CEIDHN C[C@@H]1C[C@H](NC(=O)NCC2(C3CC3)CC2)CN1C1CC1 ZINC000160006388 366965448 /nfs/dbraw/zinc/96/54/48/366965448.db2.gz NVCJUHARSFEKLK-YPMHNXCESA-N 0 3 277.412 2.101 20 70 CEIDHN OCC1(CNCc2cccc3c2OCCCO3)CCCC1 ZINC000160112317 366975090 /nfs/dbraw/zinc/97/50/90/366975090.db2.gz LSHXAVMDICYYEO-UHFFFAOYSA-N 0 3 291.391 2.490 20 70 CEIDHN CCN(C)CCNC(=O)[C@H](C)Cc1ccccc1F ZINC000160148437 366976901 /nfs/dbraw/zinc/97/69/01/366976901.db2.gz UQKKJCRJGUWRGH-GFCCVEGCSA-N 0 3 266.360 2.072 20 70 CEIDHN CCCNC(=O)C(C)S(=O)(=O)[C@H](CC)c1ccccc1 ZINC000160488098 367010539 /nfs/dbraw/zinc/01/05/39/367010539.db2.gz IWEITAZFJQXUNF-TZMCWYRMSA-N 0 3 297.420 2.467 20 70 CEIDHN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)[C@@H]1CCCCN1 ZINC000161174736 367064072 /nfs/dbraw/zinc/06/40/72/367064072.db2.gz AVEUVRVTGAYAPO-MELADBBJSA-N 0 3 282.428 2.086 20 70 CEIDHN CSCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000161260472 367072589 /nfs/dbraw/zinc/07/25/89/367072589.db2.gz VTSPFQWFTRTVSV-GJZGRUSLSA-N 0 3 292.448 2.204 20 70 CEIDHN CC[C@@H](C(=O)NCc1csc(-c2ccco2)n1)N(C)C ZINC000161379356 367082858 /nfs/dbraw/zinc/08/28/58/367082858.db2.gz PNGMMYSWAOFRSH-NSHDSACASA-N 0 3 293.392 2.360 20 70 CEIDHN CCn1cc([C@H](C)NC[C@H](CO)c2ccccc2)cn1 ZINC000161508638 367092214 /nfs/dbraw/zinc/09/22/14/367092214.db2.gz VPRMRBKLTAGDOU-XJKSGUPXSA-N 0 3 273.380 2.330 20 70 CEIDHN Cc1cccc([C@@H]2CCCN2CCn2cccn2)n1 ZINC000159710323 162313902 /nfs/dbraw/zinc/31/39/02/162313902.db2.gz CNFQUHWUZOLHPP-HNNXBMFYSA-N 0 3 256.353 2.424 20 70 CEIDHN C[C@@H](N)C(=O)N[C@H](COc1ccccc1F)C(C)(C)C ZINC000159773240 162313952 /nfs/dbraw/zinc/31/39/52/162313952.db2.gz YIAHBILBEHKJCI-ZWNOBZJWSA-N 0 3 282.359 2.083 20 70 CEIDHN CCCN1CCCN(C(=O)NCc2ccccc2F)CC1 ZINC000160012243 162318089 /nfs/dbraw/zinc/31/80/89/162318089.db2.gz PGQSECSLRISKAH-UHFFFAOYSA-N 0 3 293.386 2.453 20 70 CEIDHN Cc1cccc([C@H]2CCCN2CCCN2CCOCC2)n1 ZINC000160137349 162321942 /nfs/dbraw/zinc/32/19/42/162321942.db2.gz CBAOJJZCAMVZOA-QGZVFWFLSA-N 0 3 289.423 2.249 20 70 CEIDHN CC(C)n1cc2cc(NC(=O)C(C)(C)N)ccc2n1 ZINC000160068366 162323028 /nfs/dbraw/zinc/32/30/28/162323028.db2.gz ACPRETURCYVMIF-UHFFFAOYSA-N 0 3 260.341 2.293 20 70 CEIDHN COc1ccccc1[C@H]1CCN(C(=O)[C@H](N)CC(C)C)C1 ZINC000160374959 162327094 /nfs/dbraw/zinc/32/70/94/162327094.db2.gz UZMATKONBXHUOF-DZGCQCFKSA-N 0 3 290.407 2.385 20 70 CEIDHN CS[C@H](C)CC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000160607379 297438634 /nfs/dbraw/zinc/43/86/34/297438634.db2.gz OEJGGZPSBMYPFR-UKRRQHHQSA-N 0 3 294.464 2.417 20 70 CEIDHN CCN(CC)C(=O)C[C@@H](C)NCc1ccc(C)nc1 ZINC000161313408 297443315 /nfs/dbraw/zinc/44/33/15/297443315.db2.gz JRMOGSXKLNLGEE-CYBMUJFWSA-N 0 3 263.385 2.127 20 70 CEIDHN CC(C)OCCN1CCC(NC(=O)[C@@H]2CC2(C)C)CC1 ZINC000160198969 312637025 /nfs/dbraw/zinc/63/70/25/312637025.db2.gz PLXCVADYFQCUOR-AWEZNQCLSA-N 0 3 282.428 2.038 20 70 CEIDHN CC(C)c1noc(CCCN[C@H](C)c2cnccn2)n1 ZINC000160790309 519902422 /nfs/dbraw/zinc/90/24/22/519902422.db2.gz YQQUXBQGALSACD-LLVKDONJSA-N 0 3 275.356 2.266 20 70 CEIDHN COC[C@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000160394213 522831126 /nfs/dbraw/zinc/83/11/26/522831126.db2.gz WENUHXLJYDXPJS-ZDUSSCGKSA-N 0 3 259.353 2.193 20 70 CEIDHN C[C@H]1CCC[C@H](C(=O)NCCN2CCCCC2)C1 ZINC000160570907 524177547 /nfs/dbraw/zinc/17/75/47/524177547.db2.gz QSHLLEYEODIXKL-KBPBESRZSA-N 0 3 252.402 2.415 20 70 CEIDHN CCCC(O)(CCC)CC(=O)N(C)CCN1CCCC1 ZINC000161386155 528003213 /nfs/dbraw/zinc/00/32/13/528003213.db2.gz KOEKLAJDFVYVCC-UHFFFAOYSA-N 0 3 284.444 2.262 20 70 CEIDHN CCOCCC1(C(=O)NC[C@H]2CCCN2CC)CCC1 ZINC000160699008 528605475 /nfs/dbraw/zinc/60/54/75/528605475.db2.gz FBJJRBDKDIWXNR-CQSZACIVSA-N 0 3 282.428 2.184 20 70 CEIDHN C[C@@H]1C[C@@H](C)CN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000160740914 344461090 /nfs/dbraw/zinc/46/10/90/344461090.db2.gz YNKLDDWSVCNKNP-UMVBOHGHSA-N 0 3 279.428 2.158 20 70 CEIDHN Cc1cc(C)cc(OC[C@H](O)CNCCOC(C)C)c1 ZINC000160188006 540112915 /nfs/dbraw/zinc/11/29/15/540112915.db2.gz AJKPQIIRWKRJRR-OAHLLOKOSA-N 0 3 281.396 2.058 20 70 CEIDHN CCCN(CCC)C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000159979798 283207347 /nfs/dbraw/zinc/20/73/47/283207347.db2.gz KBTPLBWOSQAKFF-HEHGZKQESA-N 0 3 282.428 2.168 20 70 CEIDHN COC1CCN(CCNC(=O)C2CCC(C)(C)CC2)CC1 ZINC000161054892 540713485 /nfs/dbraw/zinc/71/34/85/540713485.db2.gz BXCYVTSNSXSHGY-UHFFFAOYSA-N 0 3 296.455 2.430 20 70 CEIDHN C[C@H](CC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)c1ccncc1 ZINC000161105038 540725103 /nfs/dbraw/zinc/72/51/03/540725103.db2.gz WFPJEGLGOSNXFF-IPYPFGDCSA-N 0 3 287.407 2.317 20 70 CEIDHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cnc(C2CCC2)s1 ZINC000159678621 366939243 /nfs/dbraw/zinc/93/92/43/366939243.db2.gz YCOFBCKPILCOTB-PWSUYJOCSA-N 0 3 293.436 2.496 20 70 CEIDHN CN(CCCNC(=O)C1(C)CC1)Cc1ccccc1 ZINC000159692794 366940066 /nfs/dbraw/zinc/94/00/66/366940066.db2.gz IEWLQPSWLICHCJ-UHFFFAOYSA-N 0 3 260.381 2.425 20 70 CEIDHN Cc1ncc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)s1 ZINC000159465011 366916491 /nfs/dbraw/zinc/91/64/91/366916491.db2.gz TXOKSCYRSKDGPH-XQQFMLRXSA-N 0 3 264.394 2.499 20 70 CEIDHN CC[C@H](N)C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1 ZINC000160955970 367046028 /nfs/dbraw/zinc/04/60/28/367046028.db2.gz UBTFTYMANGIYIR-HNNXBMFYSA-N 0 3 291.395 2.119 20 70 CEIDHN Cc1cc(NC(=O)[C@@H](C)N)ccc1OCC(F)(F)F ZINC000161118065 367059218 /nfs/dbraw/zinc/05/92/18/367059218.db2.gz HVGKZBVLSGTHSC-MRVPVSSYSA-N 0 3 276.258 2.222 20 70 CEIDHN CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](C)Oc1ccccc1C ZINC000161173369 367063970 /nfs/dbraw/zinc/06/39/70/367063970.db2.gz GPYPIBOUNBJYEF-NJZAAPMLSA-N 0 3 278.396 2.252 20 70 CEIDHN CCCN(CCO)Cc1ccc(OC)c(OCC)c1 ZINC000161212236 367069309 /nfs/dbraw/zinc/06/93/09/367069309.db2.gz QFKWNSCSRNSUIP-UHFFFAOYSA-N 0 3 267.369 2.298 20 70 CEIDHN CCCN(CCO)Cc1ccc(OCC)c(OC)c1 ZINC000161232513 367070451 /nfs/dbraw/zinc/07/04/51/367070451.db2.gz DDLXGYUTWMGRGH-UHFFFAOYSA-N 0 3 267.369 2.298 20 70 CEIDHN CC[C@H](NCCCC(N)=O)c1ccc(F)cc1F ZINC000160756114 367031628 /nfs/dbraw/zinc/03/16/28/367031628.db2.gz ALFSMUGSXZVFSF-LBPRGKRZSA-N 0 3 256.296 2.271 20 70 CEIDHN Cc1nccn1CCCN1C[C@H](C)OC(C)(C)C1 ZINC000161465173 367089402 /nfs/dbraw/zinc/08/94/02/367089402.db2.gz HSXBNHIECVZGNO-LBPRGKRZSA-N 0 3 251.374 2.081 20 70 CEIDHN CCS[C@@H]1CCCCN(C(=O)[C@H](N)CCSC)C1 ZINC000159767160 395059489 /nfs/dbraw/zinc/05/94/89/395059489.db2.gz BAOGIZUBUVXOOR-VXGBXAGGSA-N 0 3 290.498 2.201 20 70 CEIDHN CC[C@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000159618298 395059610 /nfs/dbraw/zinc/05/96/10/395059610.db2.gz GKVKGDVWBXCDSU-WFASDCNBSA-N 0 3 258.365 2.132 20 70 CEIDHN C[C@@H]1C[C@H](NC(=O)N(C)C2CC2)CN1Cc1ccccc1 ZINC000159961997 395060399 /nfs/dbraw/zinc/06/03/99/395060399.db2.gz BDNFINFDALDPFV-HIFRSBDPSA-N 0 3 287.407 2.453 20 70 CEIDHN CS[C@@H](C)CNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000159786097 297430708 /nfs/dbraw/zinc/43/07/08/297430708.db2.gz FUTIJYUFSUSNEP-OLZOCXBDSA-N 0 3 287.473 2.158 20 70 CEIDHN C[C@H](C(=O)N(C)C1CCCCC1)N1CCC[C@@H](N(C)C)C1 ZINC000217146595 400306799 /nfs/dbraw/zinc/30/67/99/400306799.db2.gz KERABBGWRYFTQY-GDBMZVCRSA-N 0 3 295.471 2.192 20 70 CEIDHN CCc1ncnc(NCCN(CC)C2CC2)c1F ZINC000218001993 153297920 /nfs/dbraw/zinc/29/79/20/153297920.db2.gz BSLSXIAUILPOFQ-UHFFFAOYSA-N 0 3 252.337 2.074 20 70 CEIDHN CC(C)Cc1ncc(CN2C[C@@H](C(N)=O)CC[C@H]2C)s1 ZINC000159708630 162314190 /nfs/dbraw/zinc/31/41/90/162314190.db2.gz ZNZWVCTXLFOTAR-NEPJUHHUSA-N 0 3 295.452 2.427 20 70 CEIDHN CSCCCCC(=O)NCCN1CCC[C@H](C)C1 ZINC000159904468 162318794 /nfs/dbraw/zinc/31/87/94/162318794.db2.gz DNGPDKPNNSXKLX-ZDUSSCGKSA-N 0 3 272.458 2.368 20 70 CEIDHN CC(C)c1ccc(N(C)C(=O)[C@@]2(F)CCNC2)cc1 ZINC000161461456 162327863 /nfs/dbraw/zinc/32/78/63/162327863.db2.gz WAILDERQNZHOEM-OAHLLOKOSA-N 0 3 264.344 2.474 20 70 CEIDHN CC[C@@H](C(=O)NCCCc1ccc(OC)cc1)N(C)C ZINC000159861894 276406189 /nfs/dbraw/zinc/40/61/89/276406189.db2.gz RJNXNTFEGLQOOQ-HNNXBMFYSA-N 0 3 278.396 2.084 20 70 CEIDHN CC(C)OC(=O)CCCNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000159376628 519744282 /nfs/dbraw/zinc/74/42/82/519744282.db2.gz HZDUUQQEEABYNR-MJBXVCDLSA-N 0 3 298.427 2.096 20 70 CEIDHN C[C@H](C[C@H](C)O)NCc1cncc(Br)c1 ZINC000160594820 524637534 /nfs/dbraw/zinc/63/75/34/524637534.db2.gz CPTSYLLELXLLSF-BDAKNGLRSA-N 0 3 273.174 2.093 20 70 CEIDHN O=C([C@@H]1CCCCN1CCC1CCCC1)N1CCOCC1 ZINC000160391693 526466612 /nfs/dbraw/zinc/46/66/12/526466612.db2.gz JZQDZXXGOKJRRQ-INIZCTEOSA-N 0 3 294.439 2.280 20 70 CEIDHN CC(C)S(=O)(=O)CCCN(C)C1CCCCC1 ZINC000160468294 528295868 /nfs/dbraw/zinc/29/58/68/528295868.db2.gz FDXJDWJYRYORMX-UHFFFAOYSA-N 0 3 261.431 2.464 20 70 CEIDHN C[C@@H](CCCO)NCc1cncc(Br)c1 ZINC000160588430 188482389 /nfs/dbraw/zinc/48/23/89/188482389.db2.gz HMLFBUFCHVVVPX-VIFPVBQESA-N 0 3 273.174 2.095 20 70 CEIDHN Cc1cc(C)cc(OC[C@@H](O)CNCCOC(C)C)c1 ZINC000160188115 540113017 /nfs/dbraw/zinc/11/30/17/540113017.db2.gz AJKPQIIRWKRJRR-HNNXBMFYSA-N 0 3 281.396 2.058 20 70 CEIDHN CS(=O)(=O)CCCCN(Cc1ccccc1)C1CC1 ZINC000161331370 540780106 /nfs/dbraw/zinc/78/01/06/540780106.db2.gz ZCDJQJCFBPWOFC-UHFFFAOYSA-N 0 3 281.421 2.476 20 70 CEIDHN CN(C)c1ccccc1CN(C)C[C@@H]1CCC[C@@H]1O ZINC000159744290 366945238 /nfs/dbraw/zinc/94/52/38/366945238.db2.gz YQRFJBBAWXQLIK-HOCLYGCPSA-N 0 3 262.397 2.345 20 70 CEIDHN CC[C@H](N)C(=O)NCC1(c2cccc(OC)c2)CCCC1 ZINC000159477510 366918267 /nfs/dbraw/zinc/91/82/67/366918267.db2.gz AJJYAXCPRBYXHT-HNNXBMFYSA-N 0 3 290.407 2.361 20 70 CEIDHN FC(F)n1ccnc1CN[C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159576657 366928560 /nfs/dbraw/zinc/92/85/60/366928560.db2.gz SJFSGENHYPNUQE-DLOVCJGASA-N 0 3 283.322 2.325 20 70 CEIDHN Cc1ccsc1CN1CCC(CC(N)=O)CC1 ZINC000159806354 366949026 /nfs/dbraw/zinc/94/90/26/366949026.db2.gz XCVPKRYKVYGAOV-UHFFFAOYSA-N 0 3 252.383 2.144 20 70 CEIDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCC1CCCC1 ZINC000160232535 366986621 /nfs/dbraw/zinc/98/66/21/366986621.db2.gz VSKXPBKILPRJOM-CPUCHLNUSA-N 0 3 294.439 2.215 20 70 CEIDHN CC(C)[C@H](N)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000160575532 367017879 /nfs/dbraw/zinc/01/78/79/367017879.db2.gz SYIJGKZCLJPHNO-DOMZBBRYSA-N 0 3 286.379 2.033 20 70 CEIDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCC(C)(C)O ZINC000160625971 367022091 /nfs/dbraw/zinc/02/20/91/367022091.db2.gz GMSDIKSJYXVERE-JTQLQIEISA-N 0 3 253.390 2.368 20 70 CEIDHN CCc1ccc(/C=C/C(=O)N(C)[C@@H]2CCCN(C)C2)o1 ZINC000160462635 367008020 /nfs/dbraw/zinc/00/80/20/367008020.db2.gz DQDHJUYHNOWRLB-WTNCMQEWSA-N 0 3 276.380 2.408 20 70 CEIDHN CC[C@@H](c1ccccc1)S(=O)(=O)C(C)C(=O)N(C)C ZINC000160545861 367015508 /nfs/dbraw/zinc/01/55/08/367015508.db2.gz SKMAMQYOOIZARU-YPMHNXCESA-N 0 3 283.393 2.029 20 70 CEIDHN Cc1ccnc(-c2ccc(NC(=O)C(C)(C)N)cc2)n1 ZINC000160877762 367039713 /nfs/dbraw/zinc/03/97/13/367039713.db2.gz JUXPDUINBUIPIH-UHFFFAOYSA-N 0 3 270.336 2.128 20 70 CEIDHN CC[C@H](N)C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000160910876 367042029 /nfs/dbraw/zinc/04/20/29/367042029.db2.gz KQLGRXBXCUVLCN-AWEZNQCLSA-N 0 3 264.344 2.302 20 70 CEIDHN C[C@H](NCCc1ccc2c(c1)OCO2)c1cnccn1 ZINC000161126151 367059569 /nfs/dbraw/zinc/05/95/69/367059569.db2.gz ZXPXWYIBPQAMRK-NSHDSACASA-N 0 3 271.320 2.099 20 70 CEIDHN CC(C)[C@H](N)C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000161197866 367066362 /nfs/dbraw/zinc/06/63/62/367066362.db2.gz UTAOIRSIGGALTB-ZDUSSCGKSA-N 0 3 266.360 2.203 20 70 CEIDHN Cc1c(C(=O)NC[C@@H](C)N(C)C2CC2)cnn1CC(C)C ZINC000161312554 367076661 /nfs/dbraw/zinc/07/66/61/367076661.db2.gz XKTBCSUSIMBIKB-GFCCVEGCSA-N 0 3 292.427 2.060 20 70 CEIDHN CO[C@@H](CNC(=O)[C@@H]1CCCCN1)c1cccc(Cl)c1 ZINC000161409961 367083841 /nfs/dbraw/zinc/08/38/41/367083841.db2.gz OHKQQWBQLIGDSK-KBPBESRZSA-N 0 3 296.798 2.286 20 70 CEIDHN CCc1ncnc(NC[C@H](C)N(C)C2CC2)c1F ZINC000218004483 370204633 /nfs/dbraw/zinc/20/46/33/370204633.db2.gz QORQIKHFBPUOQL-VIFPVBQESA-N 0 3 252.337 2.073 20 70 CEIDHN Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2CN)cc1C ZINC000160244570 249319053 /nfs/dbraw/zinc/31/90/53/249319053.db2.gz WKKCRNHZHRZAQS-OAHLLOKOSA-N 0 3 288.391 2.216 20 70 CEIDHN Cc1cccc([C@H]2CCCN2CCn2cccn2)n1 ZINC000159710444 162312862 /nfs/dbraw/zinc/31/28/62/162312862.db2.gz CNFQUHWUZOLHPP-OAHLLOKOSA-N 0 3 256.353 2.424 20 70 CEIDHN CC1(C)CC[C@@H](CNCc2cccc3c2OCO3)O1 ZINC000160234522 162326310 /nfs/dbraw/zinc/32/63/10/162326310.db2.gz GRZVEVRDJLLPRL-LBPRGKRZSA-N 0 3 263.337 2.463 20 70 CEIDHN CC[C@H](N)C(=O)N[C@@H](C)[C@@H](OC)c1ccc(Cl)cc1 ZINC000161059530 280875977 /nfs/dbraw/zinc/87/59/77/280875977.db2.gz BZNPGPHMFYMPKJ-TVYUQYBPSA-N 0 3 284.787 2.270 20 70 CEIDHN CC[C@H](N)C(=O)Nc1nccn1Cc1ccccc1Cl ZINC000160828119 312642105 /nfs/dbraw/zinc/64/21/05/312642105.db2.gz FPFPMBKOEWLZKW-LBPRGKRZSA-N 0 3 292.770 2.261 20 70 CEIDHN C[C@@H](NC[C@@H]1CC(=O)Nc2ccccc21)c1cnn(C)c1 ZINC000160616422 525478646 /nfs/dbraw/zinc/47/86/46/525478646.db2.gz WTIIBCWKXJNAMM-NEPJUHHUSA-N 0 3 284.363 2.197 20 70 CEIDHN CCC(CC)n1nccc1C(=O)NC1CCN(C)CC1 ZINC000160692732 528911810 /nfs/dbraw/zinc/91/18/10/528911810.db2.gz MGOCCWMWYPWJIV-UHFFFAOYSA-N 0 3 278.400 2.068 20 70 CEIDHN CC(C)[C@@H](CNC(=O)CCC(C)(C)C)N1CCN(C)CC1 ZINC000160048935 344456951 /nfs/dbraw/zinc/45/69/51/344456951.db2.gz QOEWNNRSBXIJSR-OAHLLOKOSA-N 0 3 297.487 2.201 20 70 CEIDHN CSCC[C@H](C)N(C)C(=O)[C@H]1CNCc2ccccc21 ZINC000161267575 344463831 /nfs/dbraw/zinc/46/38/31/344463831.db2.gz ZDFLCEKNLCQIIH-WFASDCNBSA-N 0 3 292.448 2.473 20 70 CEIDHN CCN1CCCN(C(=O)N[C@H](C)c2c(C)noc2C)CC1 ZINC000159861052 540434496 /nfs/dbraw/zinc/43/44/96/540434496.db2.gz OFPSIQLWNNXHIL-LLVKDONJSA-N 0 3 294.399 2.090 20 70 CEIDHN C[C@H](CC(=O)N(C)CC1CCN(C)CC1)c1ccncc1 ZINC000160016670 540443193 /nfs/dbraw/zinc/44/31/93/540443193.db2.gz SPVLKANEXMZXFB-CQSZACIVSA-N 0 3 289.423 2.375 20 70 CEIDHN CCN1CCCN(C(=O)NCCc2ccccc2F)CC1 ZINC000159543218 366923878 /nfs/dbraw/zinc/92/38/78/366923878.db2.gz XYTQFWPIPAEAFN-UHFFFAOYSA-N 0 3 293.386 2.105 20 70 CEIDHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cnc(C2CC2)s1 ZINC000159678045 366938586 /nfs/dbraw/zinc/93/85/86/366938586.db2.gz VJALYUAQTWBRAP-ONGXEEELSA-N 0 3 279.409 2.106 20 70 CEIDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)NC1(C)CCC1 ZINC000159828581 366950907 /nfs/dbraw/zinc/95/09/07/366950907.db2.gz LSJIJKQCQHRGMQ-HNNXBMFYSA-N 0 3 289.423 2.401 20 70 CEIDHN C[C@@H]1C[C@@H](NC(=O)NCC2(C3CC3)CC2)CN1C1CC1 ZINC000160006666 366965300 /nfs/dbraw/zinc/96/53/00/366965300.db2.gz NVCJUHARSFEKLK-DGCLKSJQSA-N 0 3 277.412 2.101 20 70 CEIDHN C[C@@H]1OCCN(CC2CCN(C(=O)C(C)(C)C)CC2)[C@H]1C ZINC000160284285 366991220 /nfs/dbraw/zinc/99/12/20/366991220.db2.gz DZQWTLJWFSRKES-KBPBESRZSA-N 0 3 296.455 2.380 20 70 CEIDHN CCC[C@@H](N)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160395563 367002819 /nfs/dbraw/zinc/00/28/19/367002819.db2.gz HRSQCUOTRAQNOA-DZGCQCFKSA-N 0 3 278.371 2.344 20 70 CEIDHN C[C@H](NCc1ccc(CN(C)C)cc1)c1cnccn1 ZINC000160868586 367039530 /nfs/dbraw/zinc/03/95/30/367039530.db2.gz WZUFYWHJMRXZSL-ZDUSSCGKSA-N 0 3 270.380 2.389 20 70 CEIDHN C[C@H](N)C(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000161064756 367053503 /nfs/dbraw/zinc/05/35/03/367053503.db2.gz QORJFTDQDPSZJB-WCQYABFASA-N 0 3 274.389 2.495 20 70 CEIDHN CC1(C)Cc2cccc(CNC3(CO)CCOCC3)c2O1 ZINC000217809949 370201962 /nfs/dbraw/zinc/20/19/62/370201962.db2.gz OTROBPGPOLGIBD-UHFFFAOYSA-N 0 3 291.391 2.031 20 70 CEIDHN Cc1ccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000160038671 395060405 /nfs/dbraw/zinc/06/04/05/395060405.db2.gz CHVFZBRSBZNACH-JKIFEVAISA-N 0 3 288.391 2.466 20 70 CEIDHN CC[C@H](N)C(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000161098331 395063399 /nfs/dbraw/zinc/06/33/99/395063399.db2.gz CCKDHWSISVAKSD-QCZZGDTMSA-N 0 3 264.344 2.303 20 70 CEIDHN CCCN(CCC)C(=O)CN1CCCC[C@@H]1[C@@H](O)CC ZINC000217198014 153298825 /nfs/dbraw/zinc/29/88/25/153298825.db2.gz WPJBPXZHQMKPKX-CABCVRRESA-N 0 3 284.444 2.260 20 70 CEIDHN CC(C)(NC(=O)[C@@]1(F)CCNC1)c1cccc(Cl)c1 ZINC000159648432 162309981 /nfs/dbraw/zinc/30/99/81/162309981.db2.gz RHKIJOURPZDJOG-CQSZACIVSA-N 0 3 284.762 2.393 20 70 CEIDHN CCSCC[C@H](C)NC(=O)N1CCCN(CC)CC1 ZINC000159932128 162320762 /nfs/dbraw/zinc/32/07/62/162320762.db2.gz LOSHUUXVQAESAC-ZDUSSCGKSA-N 0 3 287.473 2.255 20 70 CEIDHN COc1ccc(OC)c(CNCC2(CO)CCCC2)c1 ZINC000160073839 162322932 /nfs/dbraw/zinc/32/29/32/162322932.db2.gz GBRSUKLHLNKYGI-UHFFFAOYSA-N 0 3 279.380 2.346 20 70 CEIDHN CN(Cc1cnc2ccccn12)C[C@@H]1CCCOC1 ZINC000160246634 162325106 /nfs/dbraw/zinc/32/51/06/162325106.db2.gz FVMLEGLBAICKEY-ZDUSSCGKSA-N 0 3 259.353 2.193 20 70 CEIDHN CCN1CCC[C@@H]1CNc1nnc(C(F)(F)F)s1 ZINC000160320148 162327568 /nfs/dbraw/zinc/32/75/68/162327568.db2.gz OBWQWJPDJISRFY-SSDOTTSWSA-N 0 3 280.319 2.453 20 70 CEIDHN C[C@@H](N)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000160081277 278304514 /nfs/dbraw/zinc/30/45/14/278304514.db2.gz HCPSNUPVMPMCLJ-LHLIQPBNSA-N 0 3 273.163 2.444 20 70 CEIDHN CCc1oc(C(=O)NC2CCN(CC)CC2)cc1C ZINC000159585298 297429157 /nfs/dbraw/zinc/42/91/57/297429157.db2.gz LPRMUMDUGJHJAN-UHFFFAOYSA-N 0 3 264.369 2.365 20 70 CEIDHN CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)CN ZINC000160078280 297433035 /nfs/dbraw/zinc/43/30/35/297433035.db2.gz BILRCNFNIFCWTC-ZDUSSCGKSA-N 0 3 254.761 2.454 20 70 CEIDHN O=C([C@@H]1CCCO1)N1CCN(CC2CCCCCC2)CC1 ZINC000161027306 297440360 /nfs/dbraw/zinc/44/03/60/297440360.db2.gz UZNXDYCXRDAQPU-INIZCTEOSA-N 0 3 294.439 2.280 20 70 CEIDHN CC[C@H](NC1CCN(Cc2ccccc2)CC1)C(=O)OC ZINC000159477384 522563890 /nfs/dbraw/zinc/56/38/90/522563890.db2.gz FYICWFJNSSKZOL-INIZCTEOSA-N 0 3 290.407 2.192 20 70 CEIDHN CC(C)N(CCN(C)C)C(=O)N[C@H]1C=CCCC1 ZINC000159607611 528897897 /nfs/dbraw/zinc/89/78/97/528897897.db2.gz VWWWXRYLUPXLIC-ZDUSSCGKSA-N 0 3 253.390 2.077 20 70 CEIDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCCCCC1 ZINC000160622915 344460099 /nfs/dbraw/zinc/46/00/99/344460099.db2.gz NYPFJSIHPMNOCU-CQSZACIVSA-N 0 3 265.401 2.056 20 70 CEIDHN CCOc1cc2c(cc1CN[C@H]1CCN(C)C1)O[C@@H](C)C2 ZINC000218741599 539776384 /nfs/dbraw/zinc/77/63/84/539776384.db2.gz KNEAAEYYSIWNKA-WFASDCNBSA-N 0 3 290.407 2.202 20 70 CEIDHN C[C@@H](N)C(=O)N[C@@H](COCc1ccccc1)c1ccccc1 ZINC000161305467 188521112 /nfs/dbraw/zinc/52/11/12/188521112.db2.gz IGXRMQIDKCYHNQ-PBHICJAKSA-N 0 3 298.386 2.408 20 70 CEIDHN CC[C@H](C(=O)NC[C@@H](OC)c1ccccc1Cl)N(C)C ZINC000161396278 540812294 /nfs/dbraw/zinc/81/22/94/540812294.db2.gz NNCCFKBBFDYKPC-ZIAGYGMSSA-N 0 3 298.814 2.484 20 70 CEIDHN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)C2(N)CC2)cc1 ZINC000159529597 366922766 /nfs/dbraw/zinc/92/27/66/366922766.db2.gz UNVXYUNZDXCANW-HUUCEWRRSA-N 0 3 288.391 2.070 20 70 CEIDHN COC(=O)Cc1cccc(NC(=O)C2(N)CCCCC2)c1 ZINC000159644321 366935715 /nfs/dbraw/zinc/93/57/15/366935715.db2.gz CKOYGOZKBCDKJZ-UHFFFAOYSA-N 0 3 290.363 2.002 20 70 CEIDHN CC(C)C[C@@H](C)NC(=O)NC[C@H]1CCCN(C)C1 ZINC000159798330 366949388 /nfs/dbraw/zinc/94/93/88/366949388.db2.gz QGZZLIUXUWTJIU-CHWSQXEVSA-N 0 3 255.406 2.062 20 70 CEIDHN CCN(C)CCNC(=O)[C@@H](C)Cc1ccccc1F ZINC000160148292 366975999 /nfs/dbraw/zinc/97/59/99/366975999.db2.gz UQKKJCRJGUWRGH-LBPRGKRZSA-N 0 3 266.360 2.072 20 70 CEIDHN CN(C)CCN(Cc1ccccc1)C(=O)[C@H]1CCCCO1 ZINC000160185994 366980969 /nfs/dbraw/zinc/98/09/69/366980969.db2.gz BKVUEZLZCLAPTO-MRXNPFEDSA-N 0 3 290.407 2.146 20 70 CEIDHN CCCN(CC1CC1)C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000160189480 366981384 /nfs/dbraw/zinc/98/13/84/366981384.db2.gz NSLMXRXHXGZPPV-GRDNDAEWSA-N 0 3 294.439 2.168 20 70 CEIDHN COc1ccc([C@@H](C)N(C)CC(OC)OC)cc1 ZINC000160360447 366997997 /nfs/dbraw/zinc/99/79/97/366997997.db2.gz SDVVPDLZGPZMFX-LLVKDONJSA-N 0 3 253.342 2.307 20 70 CEIDHN CC[C@@H](c1ccccc1)S(=O)(=O)C(C)C(=O)NC1CC1 ZINC000160604295 367022663 /nfs/dbraw/zinc/02/26/63/367022663.db2.gz ONJRQHOMTYIYEX-FZMZJTMJSA-N 0 3 295.404 2.220 20 70 CEIDHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160451259 367006951 /nfs/dbraw/zinc/00/69/51/367006951.db2.gz VYDJVDCZVSGTMJ-NILFDRSVSA-N 0 3 292.379 2.166 20 70 CEIDHN COc1ccc(CN(C)C2CCOCC2)c(OC)c1 ZINC000160839745 367038197 /nfs/dbraw/zinc/03/81/97/367038197.db2.gz SSWJJPNIULCFNF-UHFFFAOYSA-N 0 3 265.353 2.315 20 70 CEIDHN Cc1ccc(C[C@@H](NCC(=O)NC(C)C)C2CC2)cc1 ZINC000161009384 367049293 /nfs/dbraw/zinc/04/92/93/367049293.db2.gz NBSPRUPJBIYFTG-MRXNPFEDSA-N 0 3 274.408 2.430 20 70 CEIDHN CCn1cc([C@@H](C)NC[C@H](O)c2cccc(OC)c2)cn1 ZINC000161339631 367079988 /nfs/dbraw/zinc/07/99/88/367079988.db2.gz ZRLOPPCMTZHXKS-WBMJQRKESA-N 0 3 289.379 2.296 20 70 CEIDHN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1CCCCN1 ZINC000161174962 367065091 /nfs/dbraw/zinc/06/50/91/367065091.db2.gz AVEUVRVTGAYAPO-HZSPNIEDSA-N 0 3 282.428 2.086 20 70 CEIDHN CC[C@H](COC)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160771831 367033117 /nfs/dbraw/zinc/03/31/17/367033117.db2.gz LMBDTBMCXIIYPI-CVEARBPZSA-N 0 3 290.407 2.365 20 70 CEIDHN Cn1ccnc1CNC1CCN(c2ccccc2)CC1 ZINC000218236391 370207138 /nfs/dbraw/zinc/20/71/38/370207138.db2.gz QOEWQFUWONZPLE-UHFFFAOYSA-N 0 3 270.380 2.179 20 70 CEIDHN COC(=O)c1ccc(NC(=O)[C@@H](N)C(C)C)cc1Cl ZINC000161062546 395063648 /nfs/dbraw/zinc/06/36/48/395063648.db2.gz BEFDSTYXWALLRC-NSHDSACASA-N 0 3 284.743 2.048 20 70 CEIDHN COc1ccc(CN2C[C@@H]3CCCCN3C[C@@H]2C)cc1O ZINC000217909330 153296124 /nfs/dbraw/zinc/29/61/24/153296124.db2.gz ZBJLYLZTVZPUOI-ZFWWWQNUSA-N 0 3 290.407 2.459 20 70 CEIDHN CC(C)C1(CNC(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000160817433 519549686 /nfs/dbraw/zinc/54/96/86/519549686.db2.gz JGMUREMOYJCWKE-UHFFFAOYSA-N 0 3 272.392 2.035 20 70 CEIDHN FC(F)(F)c1nnc(NC[C@H]2CCN(C3CC3)C2)s1 ZINC000160156649 344457552 /nfs/dbraw/zinc/45/75/52/344457552.db2.gz IKOIUAKHJOBJKW-SSDOTTSWSA-N 0 3 292.330 2.453 20 70 CEIDHN CC[C@@H]1CCCCN1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160740409 344461252 /nfs/dbraw/zinc/46/12/52/344461252.db2.gz LWUSZKJNYHJXFO-LSDHHAIUSA-N 0 3 279.428 2.445 20 70 CEIDHN CCN1CCC(NC(=O)c2cccc(C)c2F)CC1 ZINC000161419094 188526828 /nfs/dbraw/zinc/52/68/28/188526828.db2.gz CFNUCGILEKSTGY-UHFFFAOYSA-N 0 3 264.344 2.348 20 70 CEIDHN CCCn1nccc1CNCCCCn1ccnc1 ZINC000160127655 540112090 /nfs/dbraw/zinc/11/20/90/540112090.db2.gz GJECXWKVTQSLDV-UHFFFAOYSA-N 0 3 261.373 2.060 20 70 CEIDHN CCCCN(C)CCNC(=O)C[C@@H](C)c1ccncc1 ZINC000160319393 540596921 /nfs/dbraw/zinc/59/69/21/540596921.db2.gz KPLZUEISIQOLGQ-CQSZACIVSA-N 0 3 277.412 2.423 20 70 CEIDHN CCC[C@@H](O)CN[C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000159495801 366919872 /nfs/dbraw/zinc/91/98/72/366919872.db2.gz SRIISJZOUNWYQH-GXTWGEPZSA-N 0 3 299.436 2.292 20 70 CEIDHN CCN1CCCN(C(=O)NCc2cccc(C)c2)CC1 ZINC000159594072 366930042 /nfs/dbraw/zinc/93/00/42/366930042.db2.gz YRQAREYSGXPAJK-UHFFFAOYSA-N 0 3 275.396 2.232 20 70 CEIDHN NC(=O)CC1CCN(Cc2ccc3ncccc3c2)CC1 ZINC000159767053 366946920 /nfs/dbraw/zinc/94/69/20/366946920.db2.gz ISHIAJAFWNUQGQ-UHFFFAOYSA-N 0 3 283.375 2.322 20 70 CEIDHN COc1ccc(OC)c(CN(C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159659106 366937553 /nfs/dbraw/zinc/93/75/53/366937553.db2.gz CAEXUZLQJOSJCG-WFASDCNBSA-N 0 3 279.380 2.297 20 70 CEIDHN CC[C@H](C)OCC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000159992383 366964101 /nfs/dbraw/zinc/96/41/01/366964101.db2.gz SORUKZGCQSWMAG-GOEBONIOSA-N 0 3 292.423 2.091 20 70 CEIDHN C[C@H](NC(=O)[C@H]1CCCCN1)c1cccc(-n2cccn2)c1 ZINC000160567014 367018457 /nfs/dbraw/zinc/01/84/57/367018457.db2.gz FZFVNMVZGIXKOY-XJKSGUPXSA-N 0 3 298.390 2.192 20 70 CEIDHN COc1ccccc1[C@H](C)N[C@@H]1CCc2nc(C)nn2C1 ZINC000160413068 367003992 /nfs/dbraw/zinc/00/39/92/367003992.db2.gz XVVOWBZFHNQOAK-WCQYABFASA-N 0 3 286.379 2.261 20 70 CEIDHN COCCN(Cc1ccccc1)CC1=CCCOC1 ZINC000160450709 367006504 /nfs/dbraw/zinc/00/65/04/367006504.db2.gz MUNIGQQKAQMDDV-UHFFFAOYSA-N 0 3 261.365 2.482 20 70 CEIDHN CCN1CCC[C@@H](NC(=O)c2cnn(CC(C)C)c2C)C1 ZINC000160989883 367048575 /nfs/dbraw/zinc/04/85/75/367048575.db2.gz QIZQLOZUVAOSSU-CQSZACIVSA-N 0 3 292.427 2.062 20 70 CEIDHN CCN1CCCC[C@H]1CNC(=O)NC1(C)CCC1 ZINC000161134275 367061109 /nfs/dbraw/zinc/06/11/09/367061109.db2.gz HNTUTKCSIUMYNL-LBPRGKRZSA-N 0 3 253.390 2.103 20 70 CEIDHN CCOc1ccccc1OCCN1CCC(C)(O)CC1 ZINC000161199149 367067456 /nfs/dbraw/zinc/06/74/56/367067456.db2.gz OIBXKLSAEXGIOV-UHFFFAOYSA-N 0 3 279.380 2.311 20 70 CEIDHN CC[C@H]1CCCCN1CCNC(=O)NC1(C)CCC1 ZINC000161389894 367082335 /nfs/dbraw/zinc/08/23/35/367082335.db2.gz BMCQYRQTKRPJQO-ZDUSSCGKSA-N 0 3 267.417 2.493 20 70 CEIDHN COC(CN1CCC(N(C)c2ccccc2)CC1)OC ZINC000161420527 367084998 /nfs/dbraw/zinc/08/49/98/367084998.db2.gz SVYOSOOKPMYCPO-UHFFFAOYSA-N 0 3 278.396 2.206 20 70 CEIDHN CC(C)[C@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000159585690 395058590 /nfs/dbraw/zinc/05/85/90/395058590.db2.gz AYUNVERSTCYWGH-HOCLYGCPSA-N 0 3 272.392 2.378 20 70 CEIDHN COC(=O)c1ccc(NC(=O)[C@H](N)C(C)C)cc1Cl ZINC000161062679 395063501 /nfs/dbraw/zinc/06/35/01/395063501.db2.gz BEFDSTYXWALLRC-LLVKDONJSA-N 0 3 284.743 2.048 20 70 CEIDHN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@H](C)N ZINC000161051565 400283815 /nfs/dbraw/zinc/28/38/15/400283815.db2.gz IVIBYVHORAUJAA-ZJUUUORDSA-N 0 3 254.761 2.077 20 70 CEIDHN CC[C@H](N)C(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000161052492 400283910 /nfs/dbraw/zinc/28/39/10/400283910.db2.gz NVEMNDDGJSATOZ-GWCFXTLKSA-N 0 3 268.788 2.467 20 70 CEIDHN CC[C@H](N)C(=O)N[C@H](C)[C@@H](OC)c1ccc(Cl)cc1 ZINC000161059659 400284283 /nfs/dbraw/zinc/28/42/83/400284283.db2.gz BZNPGPHMFYMPKJ-JIMOISOXSA-N 0 3 284.787 2.270 20 70 CEIDHN Cc1cccc([C@@H]2CCCN2C[C@H](O)COC(C)C)n1 ZINC000159771808 162311629 /nfs/dbraw/zinc/31/16/29/162311629.db2.gz LPLROCSNXUGSNZ-HOCLYGCPSA-N 0 3 278.396 2.313 20 70 CEIDHN CC[C@H]1COCCN1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159713914 162312932 /nfs/dbraw/zinc/31/29/32/162312932.db2.gz DWOXSNSUBKJUHK-HNNXBMFYSA-N 0 3 296.455 2.382 20 70 CEIDHN CSCCCCC(=O)NCCN1CCCCC1 ZINC000159892690 162320408 /nfs/dbraw/zinc/32/04/08/162320408.db2.gz HIXGJKVUFFGKGL-UHFFFAOYSA-N 0 3 258.431 2.122 20 70 CEIDHN CCCN1CCCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000160359167 162328515 /nfs/dbraw/zinc/32/85/15/162328515.db2.gz UZESBEJVESYZJE-AWEZNQCLSA-N 0 3 250.386 2.287 20 70 CEIDHN CCCN(C(=O)CNC)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000160614048 278744109 /nfs/dbraw/zinc/74/41/09/278744109.db2.gz SVPZNLXNAOHBTR-KGLIPLIRSA-N 0 3 282.428 2.182 20 70 CEIDHN CS[C@H](C)CC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000161174208 312643145 /nfs/dbraw/zinc/64/31/45/312643145.db2.gz GOUUIZWEYSPQKL-NEPJUHHUSA-N 0 3 260.447 2.221 20 70 CEIDHN Cc1ccc(CN[C@H]2CCCc3[nH]c(=O)ccc32)cn1 ZINC000161005340 524608978 /nfs/dbraw/zinc/60/89/78/524608978.db2.gz RIWOCHPBXSKYKL-AWEZNQCLSA-N 0 3 269.348 2.246 20 70 CEIDHN COc1ccccc1[C@@H]1CCCN1CC(OC)OC ZINC000160876771 524753525 /nfs/dbraw/zinc/75/35/25/524753525.db2.gz WBUOFEHQFDABDW-ZDUSSCGKSA-N 0 3 265.353 2.451 20 70 CEIDHN CSCC[C@@H](N)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000161231988 525546302 /nfs/dbraw/zinc/54/63/02/525546302.db2.gz IMCFINSIPHLYLV-WDEREUQCSA-N 0 3 260.447 2.398 20 70 CEIDHN C[C@@H](CC(=O)N(C)CCN1CCCC1)c1ccncc1 ZINC000159989046 539278436 /nfs/dbraw/zinc/27/84/36/539278436.db2.gz WQDILGSCCRHUKF-AWEZNQCLSA-N 0 3 275.396 2.129 20 70 CEIDHN CC1(NC(=O)N[C@H]2CCN(CC3CC3)C2)CCCCC1 ZINC000160724740 344461040 /nfs/dbraw/zinc/46/10/40/344461040.db2.gz JNGGNWWSMOJMQQ-AWEZNQCLSA-N 0 3 279.428 2.493 20 70 CEIDHN C[C@H](CC(=O)N(C)CCN1CCCC1)c1ccncc1 ZINC000159989211 540441432 /nfs/dbraw/zinc/44/14/32/540441432.db2.gz WQDILGSCCRHUKF-CQSZACIVSA-N 0 3 275.396 2.129 20 70 CEIDHN Cc1cccc2c1CC[C@@H]2NCC(=O)NCC(F)(F)F ZINC000160532470 540615339 /nfs/dbraw/zinc/61/53/39/540615339.db2.gz PDPUCWDLIIBNMB-LBPRGKRZSA-N 0 3 286.297 2.250 20 70 CEIDHN O=C(NC1CC1)[C@H](NC1CC=CC1)c1ccccc1 ZINC000160892381 540677559 /nfs/dbraw/zinc/67/75/59/540677559.db2.gz GJMSMSSSDLHBCH-OAHLLOKOSA-N 0 3 256.349 2.315 20 70 CEIDHN COc1ccc(CCN2CCN(c3ccncc3)CC2)cc1 ZINC000161337818 540780777 /nfs/dbraw/zinc/78/07/77/540780777.db2.gz BSXYXOXCRUNAII-UHFFFAOYSA-N 0 3 297.402 2.455 20 70 CEIDHN C[C@@]1(CNC(=O)NC2CCN(C3CC3)CC2)CCCS1 ZINC000159732118 366943604 /nfs/dbraw/zinc/94/36/04/366943604.db2.gz UAPWPMSNOJIQAE-HNNXBMFYSA-N 0 3 297.468 2.198 20 70 CEIDHN C[C@@H]1CN(Cc2ccnc3ccccc23)CC[C@@H]1O ZINC000159398178 366909455 /nfs/dbraw/zinc/90/94/55/366909455.db2.gz NQCZFBDHVVJTOX-WBMJQRKESA-N 0 3 256.349 2.438 20 70 CEIDHN CCC[C@H](N)C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1 ZINC000159499423 366918950 /nfs/dbraw/zinc/91/89/50/366918950.db2.gz ZDMJATBYDTZPBX-AWEZNQCLSA-N 0 3 291.395 2.199 20 70 CEIDHN Cc1cccc2c(CCNC(=O)[C@H]3CCCCN3)c[nH]c21 ZINC000159559268 366925426 /nfs/dbraw/zinc/92/54/26/366925426.db2.gz XLLCHVZPZSEPFQ-OAHLLOKOSA-N 0 3 285.391 2.277 20 70 CEIDHN Cc1ccc(CN2CCC(CC(N)=O)CC2)c(C)c1 ZINC000159784022 366948036 /nfs/dbraw/zinc/94/80/36/366948036.db2.gz SVSLCNLSSABZNB-UHFFFAOYSA-N 0 3 260.381 2.391 20 70 CEIDHN C[C@@H](C(=O)NC[C@@H]1CCCN1C)c1cccs1 ZINC000160134850 366976147 /nfs/dbraw/zinc/97/61/47/366976147.db2.gz RVVSGSMFHZIPLF-MNOVXSKESA-N 0 3 252.383 2.062 20 70 CEIDHN CC[C@@H](C(=O)NC[C@H](C)Cc1cccs1)N(C)C ZINC000160178022 366979976 /nfs/dbraw/zinc/97/99/76/366979976.db2.gz CWLHBPDRZDFKIU-YPMHNXCESA-N 0 3 268.426 2.383 20 70 CEIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncccn1 ZINC000160231344 366985417 /nfs/dbraw/zinc/98/54/17/366985417.db2.gz XZCYDCMZPJYJFV-ZFWWWQNUSA-N 0 3 268.364 2.409 20 70 CEIDHN Cc1noc(Cl)c1CC(=O)NCCN1CCC[C@H](C)C1 ZINC000160258022 366988028 /nfs/dbraw/zinc/98/80/28/366988028.db2.gz ZEYZHRKQAGLIHR-JTQLQIEISA-N 0 3 299.802 2.027 20 70 CEIDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NC1CCCCCC1 ZINC000160091304 366971194 /nfs/dbraw/zinc/97/11/94/366971194.db2.gz RDFHUXZHPKBTPF-CPUCHLNUSA-N 0 3 294.439 2.358 20 70 CEIDHN CC[C@H](N[C@@H](C)CC(N)=O)c1ccc(OC)c(OC)c1 ZINC000161368997 367080982 /nfs/dbraw/zinc/08/09/82/367080982.db2.gz JIWPDUMXYAAMOX-JQWIXIFHSA-N 0 3 280.368 2.008 20 70 CEIDHN CSCC[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000161260825 367073029 /nfs/dbraw/zinc/07/30/29/367073029.db2.gz VTSPFQWFTRTVSV-HUUCEWRRSA-N 0 3 292.448 2.204 20 70 CEIDHN CCC(CC)n1ncc(C(=O)NC[C@@H]2CCN(C)C2)c1C ZINC000160653983 367025621 /nfs/dbraw/zinc/02/56/21/367025621.db2.gz OIFADBRHUFVXLM-ZDUSSCGKSA-N 0 3 292.427 2.234 20 70 CEIDHN CC(C)N(C)CC(=O)NCCc1csc(C(C)(C)C)n1 ZINC000160727808 367029637 /nfs/dbraw/zinc/02/96/37/367029637.db2.gz XKZFWUOITSIFJD-UHFFFAOYSA-N 0 3 297.468 2.440 20 70 CEIDHN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)CNCCOC ZINC000161386029 367082596 /nfs/dbraw/zinc/08/25/96/367082596.db2.gz PQMZEJOXKZNUAT-INIZCTEOSA-N 0 3 292.423 2.011 20 70 CEIDHN CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)[C@@H]1CCCCN1 ZINC000161174626 249319650 /nfs/dbraw/zinc/31/96/50/249319650.db2.gz AVEUVRVTGAYAPO-IHRRRGAJSA-N 0 3 282.428 2.086 20 70 CEIDHN Cc1ccc(C[C@H](C)N(C)C(=O)[C@]2(F)CCNC2)cc1 ZINC000159639178 292109699 /nfs/dbraw/zinc/10/96/99/292109699.db2.gz INIICTIMALEGFD-BBRMVZONSA-N 0 3 278.371 2.086 20 70 CEIDHN C[C@@H](C(=O)NC1CCC(C)CC1)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159720186 162312584 /nfs/dbraw/zinc/31/25/84/162312584.db2.gz OFQSDPIPWYWLQI-ABSNHQIMSA-N 0 3 296.455 2.163 20 70 CEIDHN CCOC(=O)CCN1CCC[C@H]1c1cccc(C)n1 ZINC000160139071 162323192 /nfs/dbraw/zinc/32/31/92/162323192.db2.gz LPSYWNBKZFYTJO-AWEZNQCLSA-N 0 3 262.353 2.480 20 70 CEIDHN COc1cccc(CCCN(C)[C@H]2CCCCNC2=O)c1 ZINC000160295300 165033610 /nfs/dbraw/zinc/03/36/10/165033610.db2.gz SIHHXBZSQZWLCG-INIZCTEOSA-N 0 3 290.407 2.228 20 70 CEIDHN C[C@@H]1CCC[C@@H](C(=O)NCCN2CCCCC2)C1 ZINC000160571030 287371985 /nfs/dbraw/zinc/37/19/85/287371985.db2.gz QSHLLEYEODIXKL-ZIAGYGMSSA-N 0 3 252.402 2.415 20 70 CEIDHN CCN1CCCN(C(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000159517942 276162398 /nfs/dbraw/zinc/16/23/98/276162398.db2.gz LOJRUWMYACXDNC-KBPBESRZSA-N 0 3 267.417 2.302 20 70 CEIDHN CCN(CC)C(=O)C[C@@H](C)N[C@H](CCO)c1ccccc1 ZINC000161073110 276318033 /nfs/dbraw/zinc/31/80/33/276318033.db2.gz QEVBHVBNDISLHF-GDBMZVCRSA-N 0 3 292.423 2.347 20 70 CEIDHN CC(C)c1ccc(N(C)C(=O)[C@]2(F)CCNC2)cc1 ZINC000161461326 519836563 /nfs/dbraw/zinc/83/65/63/519836563.db2.gz WAILDERQNZHOEM-HNNXBMFYSA-N 0 3 264.344 2.474 20 70 CEIDHN CCOCCCN1CCC(NC(=O)c2ccsc2)CC1 ZINC000159606612 344455858 /nfs/dbraw/zinc/45/58/58/344455858.db2.gz LIQVIPVSIGDJMY-UHFFFAOYSA-N 0 3 296.436 2.369 20 70 CEIDHN CC1CCC(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000160046560 540110976 /nfs/dbraw/zinc/11/09/76/540110976.db2.gz GOEZPJOBCOTOQD-BLLIMNRGSA-N 0 3 294.439 2.214 20 70 CEIDHN CCCn1nccc1CNCC1(O)CCCCCC1 ZINC000160162626 540112948 /nfs/dbraw/zinc/11/29/48/540112948.db2.gz LGZZFJIVRPGBAW-UHFFFAOYSA-N 0 3 265.401 2.468 20 70 CEIDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000160615093 540119869 /nfs/dbraw/zinc/11/98/69/540119869.db2.gz IQKOSICMNVGVOB-XHSDSOJGSA-N 0 3 291.439 2.445 20 70 CEIDHN C[C@H](CC(=O)N(C)[C@H]1CCCN(C)C1)c1ccncc1 ZINC000160823276 540665097 /nfs/dbraw/zinc/66/50/97/540665097.db2.gz MVOPRFHVFDZXRU-HIFRSBDPSA-N 0 3 275.396 2.128 20 70 CEIDHN CC[C@@H](C(=O)NC[C@@H](OC)c1ccccc1Cl)N(C)C ZINC000161396136 540812543 /nfs/dbraw/zinc/81/25/43/540812543.db2.gz NNCCFKBBFDYKPC-UONOGXRCSA-N 0 3 298.814 2.484 20 70 CEIDHN Cc1ncc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)s1 ZINC000159465303 366916322 /nfs/dbraw/zinc/91/63/22/366916322.db2.gz TXOKSCYRSKDGPH-UPJWGTAASA-N 0 3 264.394 2.499 20 70 CEIDHN CCN1CCCN(C(=O)NCCCc2ccccc2)CC1 ZINC000159513976 366920453 /nfs/dbraw/zinc/92/04/53/366920453.db2.gz GCWMNLDNBGHKCA-UHFFFAOYSA-N 0 3 289.423 2.356 20 70 CEIDHN Cc1ccc(NC(=O)[C@@H](C)N)cc1NC(=O)C(C)(C)C ZINC000159527832 366922384 /nfs/dbraw/zinc/92/23/84/366922384.db2.gz IYNMJEVFHIZHOL-SNVBAGLBSA-N 0 3 277.368 2.265 20 70 CEIDHN CCN1CCCN(C(=O)NCc2ccc(F)c(C)c2)CC1 ZINC000159571000 366927159 /nfs/dbraw/zinc/92/71/59/366927159.db2.gz CGRKKGACARKDCP-UHFFFAOYSA-N 0 3 293.386 2.371 20 70 CEIDHN Cc1ccc([C@@H](C)CNC(=O)[C@H]2CCCCN2)cc1 ZINC000159655862 366935336 /nfs/dbraw/zinc/93/53/36/366935336.db2.gz BLPQXCPWQNZDNE-DZGCQCFKSA-N 0 3 260.381 2.357 20 70 CEIDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)NC1(C)CCC1 ZINC000159920480 366959446 /nfs/dbraw/zinc/95/94/46/366959446.db2.gz JKQMWYCLLZOHNA-QWHCGFSZSA-N 0 3 267.417 2.349 20 70 CEIDHN CCC1(CC)[C@H](N[C@@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC000160102860 366973118 /nfs/dbraw/zinc/97/31/18/366973118.db2.gz ISMACLKWPBSAHA-MGPQQGTHSA-N 0 3 282.428 2.179 20 70 CEIDHN CC[C@H](COC)NCc1cncc(Br)c1 ZINC000160579763 367019160 /nfs/dbraw/zinc/01/91/60/367019160.db2.gz HNNMCGKVPHCSIU-LLVKDONJSA-N 0 3 273.174 2.359 20 70 CEIDHN CC(C)[C@@H](N)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160398434 367002129 /nfs/dbraw/zinc/00/21/29/367002129.db2.gz ZXKYAHSCDBIQEF-DZGCQCFKSA-N 0 3 278.371 2.200 20 70 CEIDHN O=C(N1CC[C@@H](N2CCCC2)C1)N1CCCCCC1 ZINC000160556847 367016554 /nfs/dbraw/zinc/01/65/54/367016554.db2.gz BITBXXWBRJNJRX-CQSZACIVSA-N 0 3 265.401 2.153 20 70 CEIDHN CC(C)[C@@H](N)C(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000160972729 367047510 /nfs/dbraw/zinc/04/75/10/367047510.db2.gz IEEHCFJZLWXWGA-LSDHHAIUSA-N 0 3 292.423 2.117 20 70 CEIDHN C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000161064630 367053546 /nfs/dbraw/zinc/05/35/46/367053546.db2.gz QORJFTDQDPSZJB-AAEUAGOBSA-N 0 3 274.389 2.495 20 70 CEIDHN CSCC[C@H](N)C(=O)N[C@H](C)CCC(C)(C)C ZINC000161229414 367070148 /nfs/dbraw/zinc/07/01/48/367070148.db2.gz IMCFINSIPHLYLV-MNOVXSKESA-N 0 3 260.447 2.398 20 70 CEIDHN Cc1c(C(=O)N2CCC[C@@H](N(C)C)C2)cnn1CC(C)C ZINC000161236424 367070425 /nfs/dbraw/zinc/07/04/25/367070425.db2.gz VKYQDUKGIKHIKK-CQSZACIVSA-N 0 3 292.427 2.014 20 70 CEIDHN Cc1ccc(NC(=O)[C@@H](C)N)cc1OCC1CCOCC1 ZINC000161373894 367081487 /nfs/dbraw/zinc/08/14/87/367081487.db2.gz YXPICEAPBPDVLK-GFCCVEGCSA-N 0 3 292.379 2.086 20 70 CEIDHN CC[C@@H](C)OCC(=O)NCCN(C)Cc1ccccc1 ZINC000160676432 367027383 /nfs/dbraw/zinc/02/73/83/367027383.db2.gz XDUFCAVDNANVEA-CQSZACIVSA-N 0 3 278.396 2.050 20 70 CEIDHN CC[C@@H](C(=O)NCc1ccccc1OC(F)F)N(C)C ZINC000161404031 367084040 /nfs/dbraw/zinc/08/40/40/367084040.db2.gz JLNWCLARFNPNQA-NSHDSACASA-N 0 3 286.322 2.244 20 70 CEIDHN CC[C@@H](C(=O)NCc1nc(C(C)C)cs1)N(C)C ZINC000161444209 367086469 /nfs/dbraw/zinc/08/64/69/367086469.db2.gz DASWWBXLCVVFJX-NSHDSACASA-N 0 3 269.414 2.223 20 70 CEIDHN COC(=O)c1ccc([C@@H](C)N2CC[C@@H](N3CCCC3)C2)o1 ZINC000217369173 370195183 /nfs/dbraw/zinc/19/51/83/370195183.db2.gz RURNEPPSKXOBGW-CHWSQXEVSA-N 0 3 292.379 2.297 20 70 CEIDHN CCN1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000159517812 285211927 /nfs/dbraw/zinc/21/19/27/285211927.db2.gz LOJRUWMYACXDNC-UONOGXRCSA-N 0 3 267.417 2.302 20 70 CEIDHN C[C@H](N)C(=O)N1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000161182239 395063477 /nfs/dbraw/zinc/06/34/77/395063477.db2.gz WDFLAGBGGBCVFL-GMXVVIOVSA-N 0 3 264.394 2.039 20 70 CEIDHN NC1(C(=O)NC[C@@H]2CCc3ccccc32)CCCCC1 ZINC000159733830 162313275 /nfs/dbraw/zinc/31/32/75/162313275.db2.gz CDDAVSSJPKIIHP-AWEZNQCLSA-N 0 3 272.392 2.494 20 70 CEIDHN Cc1cc(CN2CCC(CC(N)=O)CC2)ccc1F ZINC000159769965 162313517 /nfs/dbraw/zinc/31/35/17/162313517.db2.gz KOVPYQKLHJSGGM-UHFFFAOYSA-N 0 3 264.344 2.222 20 70 CEIDHN CC[C@H](NC(=O)N1CCCN(CC)CC1)c1nccs1 ZINC000159888983 162319420 /nfs/dbraw/zinc/31/94/20/162319420.db2.gz KJGJJGBKBLDZMC-LBPRGKRZSA-N 0 3 296.440 2.331 20 70 CEIDHN CCCN1CCCN(C(=O)NCCc2ccccc2)CC1 ZINC000160012907 162320082 /nfs/dbraw/zinc/32/00/82/162320082.db2.gz MHCCJTQJNJLDCY-UHFFFAOYSA-N 0 3 289.423 2.356 20 70 CEIDHN CCNC(=O)CCN1CCC[C@H]1c1cccc(C)n1 ZINC000160067295 162322582 /nfs/dbraw/zinc/32/25/82/162322582.db2.gz GETMUWGSSKJDPV-AWEZNQCLSA-N 0 3 261.369 2.053 20 70 CEIDHN CCCN1CCCN(C(=O)[C@@H](C)OCCC(C)C)CC1 ZINC000160375097 162328250 /nfs/dbraw/zinc/32/82/50/162328250.db2.gz WBSOTNRGHVSATN-OAHLLOKOSA-N 0 3 284.444 2.382 20 70 CEIDHN CC(C)(C)[C@H](N)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000159823016 275840545 /nfs/dbraw/zinc/84/05/45/275840545.db2.gz SJHJCUZABKZNCC-HUUCEWRRSA-N 0 3 274.408 2.497 20 70 CEIDHN CC(C)C[C@H]1CCCCN1C(=O)[C@@]1(F)CCNC1 ZINC000160877213 275917460 /nfs/dbraw/zinc/91/74/60/275917460.db2.gz GHSMIOZIJDBDNQ-TZMCWYRMSA-N 0 3 256.365 2.115 20 70 CEIDHN c1csc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1 ZINC000159470538 297428867 /nfs/dbraw/zinc/42/88/67/297428867.db2.gz PVZGRUYBYMPKRO-WCQGTBRESA-N 0 3 250.367 2.190 20 70 CEIDHN CC(C)c1noc(CCCN[C@@H](C)c2cnccn2)n1 ZINC000160790164 519902284 /nfs/dbraw/zinc/90/22/84/519902284.db2.gz YQQUXBQGALSACD-NSHDSACASA-N 0 3 275.356 2.266 20 70 CEIDHN CCn1nccc1CNC1CCN(Cc2ccccn2)CC1 ZINC000160030095 539278457 /nfs/dbraw/zinc/27/84/57/539278457.db2.gz IXVUBOFUEKCUKY-UHFFFAOYSA-N 0 3 299.422 2.052 20 70 CEIDHN C[C@@H](Cc1ccccc1F)C(=O)NC[C@H]1CCCN(C)C1 ZINC000159513358 344454907 /nfs/dbraw/zinc/45/49/07/344454907.db2.gz LVLIQGJOPMIOKC-UONOGXRCSA-N 0 3 292.398 2.462 20 70 CEIDHN C[C@@H](C(=O)N[C@H]1CCN(CC2CC2)C1)c1cccs1 ZINC000159495868 344455040 /nfs/dbraw/zinc/45/50/40/344455040.db2.gz SLMSVFPIGYACHE-YPMHNXCESA-N 0 3 278.421 2.452 20 70 CEIDHN CN1CC[C@@H]2CN(C(=O)c3ccc(-c4cnco4)cc3)C[C@@H]21 ZINC000216984297 344535101 /nfs/dbraw/zinc/53/51/01/344535101.db2.gz ICNDDNVSMJSCPH-CABCVRRESA-N 0 3 297.358 2.118 20 70 CEIDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncccn1 ZINC000160231207 188461137 /nfs/dbraw/zinc/46/11/37/188461137.db2.gz XZCYDCMZPJYJFV-HIFRSBDPSA-N 0 3 268.364 2.409 20 70 CEIDHN CC[C@H](C(=O)NC1CCC(OC(C)C)CC1)N(C)C ZINC000159572469 540416224 /nfs/dbraw/zinc/41/62/24/540416224.db2.gz KUSPHTFFEVYRHE-JXQTWKCFSA-N 0 3 270.417 2.179 20 70 CEIDHN CCN(CCCCS(C)(=O)=O)CCc1ccccc1 ZINC000161473283 540836606 /nfs/dbraw/zinc/83/66/06/540836606.db2.gz FAFHVAJITSIPJU-UHFFFAOYSA-N 0 3 283.437 2.376 20 70 CEIDHN CC(C)OC(=O)CCCNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000159376760 366907244 /nfs/dbraw/zinc/90/72/44/366907244.db2.gz HZDUUQQEEABYNR-IHRRRGAJSA-N 0 3 298.427 2.096 20 70 CEIDHN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)[C@H](C)N ZINC000159526334 366922210 /nfs/dbraw/zinc/92/22/10/366922210.db2.gz WLVCIRSMXKYTRB-JTQLQIEISA-N 0 3 277.368 2.265 20 70 CEIDHN CCN1CCCN(C(=O)NCc2ccccc2C)CC1 ZINC000159543034 366924235 /nfs/dbraw/zinc/92/42/35/366924235.db2.gz XTPUEOJUDMPIMY-UHFFFAOYSA-N 0 3 275.396 2.232 20 70 CEIDHN Cc1ccc([C@H](C)NCCCN2CCCC2=O)o1 ZINC000159575958 366928119 /nfs/dbraw/zinc/92/81/19/366928119.db2.gz HLTZWQCLWDIHDJ-LBPRGKRZSA-N 0 3 250.342 2.251 20 70 CEIDHN CNCC(=O)Nc1cc(F)ccc1SCC(F)F ZINC000159591960 366929359 /nfs/dbraw/zinc/92/93/59/366929359.db2.gz YTNLVHMAOLMJJY-UHFFFAOYSA-N 0 3 278.299 2.341 20 70 CEIDHN Cc1cc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1F ZINC000159587971 366929797 /nfs/dbraw/zinc/92/97/97/366929797.db2.gz ZUJWGTJCFUVQIZ-AAEUAGOBSA-N 0 3 264.344 2.220 20 70 CEIDHN CCC[C@@H](N)C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000159592131 366930162 /nfs/dbraw/zinc/93/01/62/366930162.db2.gz XOSIMPIGZODFMZ-GXTWGEPZSA-N 0 3 286.379 2.177 20 70 CEIDHN Cc1csc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n1 ZINC000159632235 366933954 /nfs/dbraw/zinc/93/39/54/366933954.db2.gz LYRCAWQHHXSTSC-RTXFEEFZSA-N 0 3 264.394 2.499 20 70 CEIDHN c1cc2c(c(CN[C@H]3[C@@H]4CCO[C@@H]4C34CCC4)c1)OCO2 ZINC000159643127 366935239 /nfs/dbraw/zinc/93/52/39/366935239.db2.gz TZSZNEZAURQFCV-RCBQFDQVSA-N 0 3 287.359 2.463 20 70 CEIDHN Cc1c([C@@H](C)NCCO)cnn1-c1cc(C)ccc1C ZINC000159676941 366938641 /nfs/dbraw/zinc/93/86/41/366938641.db2.gz XTMXVCHDNGDXQG-CYBMUJFWSA-N 0 3 273.380 2.440 20 70 CEIDHN O=C(NCCN1CCCCCC1)c1ccnc(Cl)c1F ZINC000159867684 366954820 /nfs/dbraw/zinc/95/48/20/366954820.db2.gz RLFQENJESICOGR-UHFFFAOYSA-N 0 3 299.777 2.480 20 70 CEIDHN C[C@H](CN1CCCCC1)NC(=O)c1ccnc(Cl)c1F ZINC000159897282 366958412 /nfs/dbraw/zinc/95/84/12/366958412.db2.gz IGYPGOPMQUGYSI-SNVBAGLBSA-N 0 3 299.777 2.478 20 70 CEIDHN C[C@H]1C[C@@H](NC(=O)NCC2(C3CC3)CC2)CN1C1CC1 ZINC000160006791 366965271 /nfs/dbraw/zinc/96/52/71/366965271.db2.gz NVCJUHARSFEKLK-WCQYABFASA-N 0 3 277.412 2.101 20 70 CEIDHN Cc1ccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000160038906 366967402 /nfs/dbraw/zinc/96/74/02/366967402.db2.gz CHVFZBRSBZNACH-GRDNDAEWSA-N 0 3 288.391 2.466 20 70 CEIDHN Cc1cccc2nc(CN[C@@H](C)[C@H]3CCOC3)cn21 ZINC000160298487 366991884 /nfs/dbraw/zinc/99/18/84/366991884.db2.gz XPLVDYJXGDVDNW-STQMWFEESA-N 0 3 259.353 2.157 20 70 CEIDHN CC(=O)Nc1ccccc1CNCCC(=O)OC(C)(C)C ZINC000160479756 367009758 /nfs/dbraw/zinc/00/97/58/367009758.db2.gz ZSYQKFVOLOIAIS-UHFFFAOYSA-N 0 3 292.379 2.466 20 70 CEIDHN COc1cccc(CN2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000160808563 367035704 /nfs/dbraw/zinc/03/57/04/367035704.db2.gz VWMPWRHCTGERQV-CZUORRHYSA-N 0 3 276.380 2.217 20 70 CEIDHN CC[C@H](N)C(=O)N1C[C@H](C)C[C@H]1c1ccccc1F ZINC000161044877 367050904 /nfs/dbraw/zinc/05/09/04/367050904.db2.gz HAMVMVCGKUZEIX-SWHYSGLUSA-N 0 3 264.344 2.473 20 70 CEIDHN CC[C@H](C(=O)N[C@@H](C)COc1cccc(C)c1)N(C)C ZINC000161109183 367058045 /nfs/dbraw/zinc/05/80/45/367058045.db2.gz WZVIXNMYFSUPDW-DZGCQCFKSA-N 0 3 278.396 2.219 20 70 CEIDHN C[C@@H](N)C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000161134976 367060757 /nfs/dbraw/zinc/06/07/57/367060757.db2.gz UPRYSEDZCCRDLU-LLVKDONJSA-N 0 3 262.353 2.432 20 70 CEIDHN CCCN(CCO)Cc1ccc(Oc2cnccn2)cc1 ZINC000161230781 367069920 /nfs/dbraw/zinc/06/99/20/367069920.db2.gz RCJCYDQNEHJXFT-UHFFFAOYSA-N 0 3 287.363 2.473 20 70 CEIDHN CC(C)S(=O)(=O)CCCN([C@H](C)C1CC1)C1CC1 ZINC000160790946 367033940 /nfs/dbraw/zinc/03/39/40/367033940.db2.gz AXLCUXCJNAACMW-GFCCVEGCSA-N 0 3 273.442 2.463 20 70 CEIDHN COC(=O)c1ccc(CNCCc2ccccc2OC)o1 ZINC000218484693 370209711 /nfs/dbraw/zinc/20/97/11/370209711.db2.gz AJMCUQQYTAXBJU-UHFFFAOYSA-N 0 3 289.331 2.407 20 70 CEIDHN CSC[C@](C)(O)CNCc1cc2ccccc2[nH]c1=O ZINC000217852939 153297244 /nfs/dbraw/zinc/29/72/44/153297244.db2.gz FHQZABCQNKDQPX-OAHLLOKOSA-N 0 3 292.404 2.144 20 70 CEIDHN C[C@@H](N)C(=O)N[C@@H](COc1ccccc1F)C(C)(C)C ZINC000159773075 162312256 /nfs/dbraw/zinc/31/22/56/162312256.db2.gz YIAHBILBEHKJCI-MFKMUULPSA-N 0 3 282.359 2.083 20 70 CEIDHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cc(-c2ccccc2)n[nH]1 ZINC000159707436 162312959 /nfs/dbraw/zinc/31/29/59/162312959.db2.gz AABYPEOIWOQRQW-JSGCOSHPSA-N 0 3 298.390 2.163 20 70 CEIDHN CCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(C)C ZINC000159980518 162319811 /nfs/dbraw/zinc/31/98/11/162319811.db2.gz RWQGYMSLKOOQIF-UHFFFAOYSA-N 0 3 280.416 2.386 20 70 CEIDHN CCCN1CCCN(C(=O)Nc2ccnn2C(C)C)CC1 ZINC000160011225 162319876 /nfs/dbraw/zinc/31/98/76/162319876.db2.gz OCKQNDILAKILTJ-UHFFFAOYSA-N 0 3 293.415 2.414 20 70 CEIDHN CC1CCN(C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000160558635 278534028 /nfs/dbraw/zinc/53/40/28/278534028.db2.gz SORVWTGIDMATEC-OAHLLOKOSA-N 0 3 279.428 2.399 20 70 CEIDHN C[C@H]1C[C@H](Nc2nnc(C(F)(F)F)s2)CCN1C ZINC000160177045 280014666 /nfs/dbraw/zinc/01/46/66/280014666.db2.gz ZJURGEJTBHDMIL-NKWVEPMBSA-N 0 3 280.319 2.452 20 70 CEIDHN CCn1ccnc1CNCC[C@H](C)NC(=O)OC(C)(C)C ZINC000217800859 280209824 /nfs/dbraw/zinc/20/98/24/280209824.db2.gz BGXNKJHWEJGLRA-LBPRGKRZSA-N 0 3 296.415 2.296 20 70 CEIDHN C[C@H](N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cccnc1 ZINC000160917527 290008958 /nfs/dbraw/zinc/00/89/58/290008958.db2.gz SGIMWXHFNUNEQW-IACUBPJLSA-N 0 3 282.409 2.088 20 70 CEIDHN CN(C)Cc1ccc(C(=O)NCCc2cccnc2)cc1 ZINC000159562845 297429162 /nfs/dbraw/zinc/42/91/62/297429162.db2.gz NYQIRSHLJLNIGO-UHFFFAOYSA-N 0 3 283.375 2.116 20 70 CEIDHN CCCN(CCN(CC)CC)C(=O)c1cc(C(C)=O)c[nH]1 ZINC000160546027 521659326 /nfs/dbraw/zinc/65/93/26/521659326.db2.gz HWUJRGUAFIDZEF-UHFFFAOYSA-N 0 3 293.411 2.411 20 70 CEIDHN CC[C@H](C)c1cc(C(=O)NC[C@H]2CCN(C3CC3)C2)on1 ZINC000161341336 522031511 /nfs/dbraw/zinc/03/15/11/522031511.db2.gz LURNNPUCNBICDB-NWDGAFQWSA-N 0 3 291.395 2.402 20 70 CEIDHN CN1CCN(CCOCC2CC2)[C@H](c2ccccc2)C1 ZINC000161337754 523903659 /nfs/dbraw/zinc/90/36/59/523903659.db2.gz PWJCEJDMKIBVFP-KRWDZBQOSA-N 0 3 274.408 2.402 20 70 CEIDHN CSCC[C@@H](N)C(=O)NCC(C)(C)Cc1ccccc1 ZINC000161076820 525543654 /nfs/dbraw/zinc/54/36/54/525543654.db2.gz IBCQSJHODGRLRV-CQSZACIVSA-N 0 3 294.464 2.452 20 70 CEIDHN CC(C)(C)CCC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000159489436 344455029 /nfs/dbraw/zinc/45/50/29/344455029.db2.gz XSRFVJGFGFWSPT-ZDUSSCGKSA-N 0 3 252.402 2.413 20 70 CEIDHN CCN(C)CCNC(=O)Cc1csc(-c2ccoc2)n1 ZINC000160147705 188457363 /nfs/dbraw/zinc/45/73/63/188457363.db2.gz UWYQYHACUURDQI-UHFFFAOYSA-N 0 3 293.392 2.014 20 70 CEIDHN CCCn1nccc1CNC[C@H]1COc2ccccc2O1 ZINC000159983921 540109021 /nfs/dbraw/zinc/10/90/21/540109021.db2.gz CHXMUGHRJCTEGX-AWEZNQCLSA-N 0 3 287.363 2.223 20 70 CEIDHN NCc1cccc(NC(=O)N2C[C@@H]3CCC[C@H]3C2)c1 ZINC000160063931 540111156 /nfs/dbraw/zinc/11/11/56/540111156.db2.gz OFPUGUHXFHXLTF-STQMWFEESA-N 0 3 259.353 2.409 20 70 CEIDHN CC(C)c1ncc(C(=O)NC[C@@H]2CCN(C3CC3)C2)s1 ZINC000159549065 366925329 /nfs/dbraw/zinc/92/53/29/366925329.db2.gz XUJIOFYZQBQBIZ-NSHDSACASA-N 0 3 293.436 2.481 20 70 CEIDHN CC(C)c1ncc(C(=O)NC[C@H]2CCN(C3CC3)C2)s1 ZINC000159549187 366925759 /nfs/dbraw/zinc/92/57/59/366925759.db2.gz XUJIOFYZQBQBIZ-LLVKDONJSA-N 0 3 293.436 2.481 20 70 CEIDHN CC(C)C[C@H](C)NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000159996035 366964331 /nfs/dbraw/zinc/96/43/31/366964331.db2.gz QEGVEBUOQYABDT-RWMBFGLXSA-N 0 3 267.417 2.345 20 70 CEIDHN CN(CCCNC(=O)[C@H]1CCCCO1)Cc1ccccc1 ZINC000160220146 366984456 /nfs/dbraw/zinc/98/44/56/366984456.db2.gz BDQORKDKURDNIN-MRXNPFEDSA-N 0 3 290.407 2.194 20 70 CEIDHN CC1(C)CC[C@@H](CNCc2ccc(S(C)(=O)=O)cc2)O1 ZINC000160266431 366987356 /nfs/dbraw/zinc/98/73/56/366987356.db2.gz JNSPMDCVTMZHEH-ZDUSSCGKSA-N 0 3 297.420 2.137 20 70 CEIDHN CC1(C)C[C@H](NCc2nccn2CC(F)(F)F)CCO1 ZINC000160581112 367019416 /nfs/dbraw/zinc/01/94/16/367019416.db2.gz AYDWYPNRTQLIPP-SNVBAGLBSA-N 0 3 291.317 2.493 20 70 CEIDHN CC[C@](C)(O)CNCc1cncc(Br)c1 ZINC000160583118 367019868 /nfs/dbraw/zinc/01/98/68/367019868.db2.gz JAVVADFDZGVBQF-NSHDSACASA-N 0 3 273.174 2.095 20 70 CEIDHN CN(C)Cc1ccc(C(=O)N(C)C[C@H]2CCCCO2)cc1 ZINC000160834024 367036985 /nfs/dbraw/zinc/03/69/85/367036985.db2.gz SFVRWRICIZQYDZ-MRXNPFEDSA-N 0 3 290.407 2.389 20 70 CEIDHN CSCC[C@@H](N)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000160907304 367042924 /nfs/dbraw/zinc/04/29/24/367042924.db2.gz MDCBFHJFJRMUED-BPLDGKMQSA-N 0 3 292.448 2.471 20 70 CEIDHN CC[C@H](N)C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000161039834 367051505 /nfs/dbraw/zinc/05/15/05/367051505.db2.gz FQKYGDOLHZLCOT-SOUVJXGZSA-N 0 3 292.379 2.045 20 70 CEIDHN CC(C)C[C@H](N)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000161070809 367053313 /nfs/dbraw/zinc/05/33/13/367053313.db2.gz BSPPDAZMYCADSC-RDBSUJKOSA-N 0 3 252.402 2.445 20 70 CEIDHN CSCC[C@H](N)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000161171334 367063642 /nfs/dbraw/zinc/06/36/42/367063642.db2.gz JJGBTMVWXALITD-JSGCOSHPSA-N 0 3 280.437 2.295 20 70 CEIDHN CC[C@@H](NCCCC(N)=O)c1ccc(F)cc1F ZINC000160756263 367031635 /nfs/dbraw/zinc/03/16/35/367031635.db2.gz ALFSMUGSXZVFSF-GFCCVEGCSA-N 0 3 256.296 2.271 20 70 CEIDHN COCC[C@@H](C)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160766828 367032177 /nfs/dbraw/zinc/03/21/77/367032177.db2.gz KVFJGARKQWBIGI-ZBFHGGJFSA-N 0 3 290.407 2.365 20 70 CEIDHN CC(C)C(=O)NCCNCc1cccc2cc[nH]c21 ZINC000218071070 370205056 /nfs/dbraw/zinc/20/50/56/370205056.db2.gz LRHIHEYPMQWJAT-UHFFFAOYSA-N 0 3 259.353 2.030 20 70 CEIDHN Cc1nc(CCNCc2cn3ccccc3n2)cs1 ZINC000218207254 370206909 /nfs/dbraw/zinc/20/69/09/370206909.db2.gz IHTNLQLHVINGMV-UHFFFAOYSA-N 0 3 272.377 2.432 20 70 CEIDHN COCCN(C)CCN[C@H]1CSCCc2ccccc21 ZINC000159403068 395058554 /nfs/dbraw/zinc/05/85/54/395058554.db2.gz MFGLNJZNBOSZBI-INIZCTEOSA-N 0 3 294.464 2.185 20 70 CEIDHN COc1ccc([C@@H]2CCN(CC(OC)OC)C2)cc1 ZINC000160775625 395062016 /nfs/dbraw/zinc/06/20/16/395062016.db2.gz XVLAANTWEZXZEC-CYBMUJFWSA-N 0 3 265.353 2.103 20 70 CEIDHN CC[C@@H](NC(=O)N1CCCN(CC)CC1)c1nccs1 ZINC000159889111 162320811 /nfs/dbraw/zinc/32/08/11/162320811.db2.gz KJGJJGBKBLDZMC-GFCCVEGCSA-N 0 3 296.440 2.331 20 70 CEIDHN COc1cc(CNCC2(CO)CCCC2)cc(OC)c1 ZINC000160090797 162322488 /nfs/dbraw/zinc/32/24/88/162322488.db2.gz NSDKXIHESXYCFB-UHFFFAOYSA-N 0 3 279.380 2.346 20 70 CEIDHN CCN(C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000160087476 276067458 /nfs/dbraw/zinc/06/74/58/276067458.db2.gz HAFFHJBFNVPPNW-HIFRSBDPSA-N 0 3 275.396 2.311 20 70 CEIDHN CC[C@H](N)C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000161314546 522322879 /nfs/dbraw/zinc/32/28/79/522322879.db2.gz MSCZIHFLGQNPCQ-ZLDLUXBVSA-N 0 3 276.380 2.137 20 70 CEIDHN COc1ccc([C@H](C)N[C@@H](CCO)CSC)c(OC)c1 ZINC000160354017 525329688 /nfs/dbraw/zinc/32/96/88/525329688.db2.gz NDHPHHMQQUXRGM-RYUDHWBXSA-N 0 3 299.436 2.468 20 70 CEIDHN Cc1cccc(CCN[C@H](C(N)=O)c2ccccc2)c1 ZINC000159843874 344456381 /nfs/dbraw/zinc/45/63/81/344456381.db2.gz DEZGQCVOTVRYGE-INIZCTEOSA-N 0 3 268.360 2.354 20 70 CEIDHN CSC[C@H](CCO)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000160283402 232250541 /nfs/dbraw/zinc/25/05/41/232250541.db2.gz SLVCDLNSZPPDTM-YPMHNXCESA-N 0 3 297.420 2.222 20 70 CEIDHN Cc1ccc(OC[C@@H](O)CNCCOC(C)C)c(C)c1 ZINC000160200539 540113617 /nfs/dbraw/zinc/11/36/17/540113617.db2.gz FRSQXCTYQGIYFW-HNNXBMFYSA-N 0 3 281.396 2.058 20 70 CEIDHN COC(=O)c1cc(CN(C)C[C@H]2CCC[C@@H]2O)c(C)s1 ZINC000159707362 366941669 /nfs/dbraw/zinc/94/16/69/366941669.db2.gz YGMOCGZNIBOMCD-YPMHNXCESA-N 0 3 297.420 2.436 20 70 CEIDHN CC(C)CC[C@](C)(O)CN[C@H](C)c1cnccn1 ZINC000159375261 366907389 /nfs/dbraw/zinc/90/73/89/366907389.db2.gz LRXQGTFJFUUWBM-OCCSQVGLSA-N 0 3 251.374 2.314 20 70 CEIDHN CN(Cc1cccc(Cl)n1)C[C@H]1CCC[C@@H]1O ZINC000159448716 366914385 /nfs/dbraw/zinc/91/43/85/366914385.db2.gz UYIGNFJWVMEDRL-PWSUYJOCSA-N 0 3 254.761 2.328 20 70 CEIDHN CCN1CCC[C@H]1CNC(=O)C1(CCOC)CCCC1 ZINC000159570385 366927439 /nfs/dbraw/zinc/92/74/39/366927439.db2.gz YYQHLXQKHYOQJY-AWEZNQCLSA-N 0 3 282.428 2.184 20 70 CEIDHN COc1ccccc1/C=C/CN1C[C@@H](C(N)=O)CC[C@H]1C ZINC000159604553 366931221 /nfs/dbraw/zinc/93/12/21/366931221.db2.gz GJFXUDWGRDZNSS-LGVMCUBASA-N 0 3 288.391 2.294 20 70 CEIDHN CC(C)C[C@H](C)NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000159859667 366954175 /nfs/dbraw/zinc/95/41/75/366954175.db2.gz GAYYMPLESGMEGF-RYUDHWBXSA-N 0 3 255.406 2.203 20 70 CEIDHN CC(C)C[C@H](C)NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000159995766 366963242 /nfs/dbraw/zinc/96/32/42/366963242.db2.gz QEGVEBUOQYABDT-AVGNSLFASA-N 0 3 267.417 2.345 20 70 CEIDHN Cc1cccc([C@@H](C)NCC(=O)NCC(F)(F)F)c1 ZINC000160240675 366985842 /nfs/dbraw/zinc/98/58/42/366985842.db2.gz XVJYCMDNFGDEPM-SNVBAGLBSA-N 0 3 274.286 2.324 20 70 CEIDHN C[C@H](CN1CCCCC1)NC(=O)NC[C@]1(C)CCCS1 ZINC000160305613 366993217 /nfs/dbraw/zinc/99/32/17/366993217.db2.gz WIBKFQVYTFLSOV-HIFRSBDPSA-N 0 3 299.484 2.446 20 70 CEIDHN CCCNC(=O)c1cccc(CN[C@H](CC)COC)c1 ZINC000160635110 367023563 /nfs/dbraw/zinc/02/35/63/367023563.db2.gz PGPDIYIBEWQQDU-OAHLLOKOSA-N 0 3 278.396 2.341 20 70 CEIDHN CCCNC(=O)C(C)S(=O)(=O)[C@@H](CC)c1ccccc1 ZINC000160487935 367011353 /nfs/dbraw/zinc/01/13/53/367011353.db2.gz IWEITAZFJQXUNF-OCCSQVGLSA-N 0 3 297.420 2.467 20 70 CEIDHN CSCC[C@@H](N)C(=O)NCc1oc2ccccc2c1C ZINC000160818677 367035587 /nfs/dbraw/zinc/03/55/87/367035587.db2.gz RNCWDYDFAWVACO-GFCCVEGCSA-N 0 3 292.404 2.438 20 70 CEIDHN CSCC[C@H](N)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000160890535 367041124 /nfs/dbraw/zinc/04/11/24/367041124.db2.gz NMDVLVMDBGRXNO-OBJOEFQTSA-N 0 3 280.437 2.375 20 70 CEIDHN C[C@H](N)C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000161070803 367053208 /nfs/dbraw/zinc/05/32/08/367053208.db2.gz NYRWERTYIDLLJC-VIFPVBQESA-N 0 3 250.346 2.133 20 70 CEIDHN CCCN(CCO)Cc1cc(-c2ccccc2)n[nH]1 ZINC000161236614 367070210 /nfs/dbraw/zinc/07/02/10/367070210.db2.gz ONNOBXKEPXHTTH-UHFFFAOYSA-N 0 3 259.353 2.281 20 70 CEIDHN COc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c(F)c1 ZINC000217725215 370200576 /nfs/dbraw/zinc/20/05/76/370200576.db2.gz GPOLHQIASNMAFE-NEPJUHHUSA-N 0 3 292.354 2.143 20 70 CEIDHN CCc1ncnc(NC2CCN(CC)CC2)c1F ZINC000217962090 370202178 /nfs/dbraw/zinc/20/21/78/370202178.db2.gz OWMKWHODWYTRNA-UHFFFAOYSA-N 0 3 252.337 2.074 20 70 CEIDHN Cc1ccc([O-])c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000217914275 370203182 /nfs/dbraw/zinc/20/31/82/370203182.db2.gz MOZOXTODTUFDPD-ZFWWWQNUSA-N 0 3 275.396 2.012 20 70 CEIDHN Cc1ccc([O-])c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000217914275 370203186 /nfs/dbraw/zinc/20/31/86/370203186.db2.gz MOZOXTODTUFDPD-ZFWWWQNUSA-N 0 3 275.396 2.012 20 70 CEIDHN C[C@H](CN1CCCC1=O)NCc1cccc2cc[nH]c21 ZINC000218128695 370204992 /nfs/dbraw/zinc/20/49/92/370204992.db2.gz DEPPWTSNFFGKAH-GFCCVEGCSA-N 0 3 271.364 2.268 20 70 CEIDHN Cn1nccc1CNC1CCN(c2ccccc2)CC1 ZINC000218236507 370207381 /nfs/dbraw/zinc/20/73/81/370207381.db2.gz RQNGPQJOFWGIOF-UHFFFAOYSA-N 0 3 270.380 2.179 20 70 CEIDHN CC[C@H](N)C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000161314299 395063482 /nfs/dbraw/zinc/06/34/82/395063482.db2.gz MSCZIHFLGQNPCQ-WHOFXGATSA-N 0 3 276.380 2.137 20 70 CEIDHN CC[C@@](C)(CN)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000217092780 153296600 /nfs/dbraw/zinc/29/66/00/153296600.db2.gz SGPSQMXMRNKZBF-HNNXBMFYSA-N 0 3 291.351 2.380 20 70 CEIDHN C[C@H](NCCN(C)Cc1ccc(F)cc1)c1cnn(C)c1 ZINC000160123069 280095506 /nfs/dbraw/zinc/09/55/06/280095506.db2.gz WPQSXJOHHGNTNW-ZDUSSCGKSA-N 0 3 290.386 2.342 20 70 CEIDHN COc1ccc2c(c1)[C@@H](NCC(C)(C)O)CCCO2 ZINC000160593453 295270730 /nfs/dbraw/zinc/27/07/30/295270730.db2.gz HNYYLKXVPRRSSG-ZDUSSCGKSA-N 0 3 265.353 2.269 20 70 CEIDHN COc1cc(C)c(CN2CCC(C)(O)CC2)cc1OC ZINC000160836344 522192270 /nfs/dbraw/zinc/19/22/70/522192270.db2.gz RKUWNTJDHZEZEN-UHFFFAOYSA-N 0 3 279.380 2.359 20 70 CEIDHN O=C(NCCNCc1cccc(C2CC2)c1)C1CC1 ZINC000160686708 526335552 /nfs/dbraw/zinc/33/55/52/526335552.db2.gz PXIFAHIBRDRMQB-UHFFFAOYSA-N 0 3 258.365 2.180 20 70 CEIDHN Cc1nccn1CCCCN1C[C@H](C)OC(C)(C)C1 ZINC000161468689 527399199 /nfs/dbraw/zinc/39/91/99/527399199.db2.gz XOSJOOVBBGGPEU-ZDUSSCGKSA-N 0 3 265.401 2.471 20 70 CEIDHN Cc1ccc(C(=O)CCN(C)C[C@@H](O)C2CC2)cc1 ZINC000160068999 539278485 /nfs/dbraw/zinc/27/84/85/539278485.db2.gz YAXFDUXJIXJBDD-MRXNPFEDSA-N 0 3 261.365 2.271 20 70 CEIDHN CC[C@H](NC(=O)NC[C@H]1CCCN(C)C1)c1nccs1 ZINC000159456001 344454900 /nfs/dbraw/zinc/45/49/00/344454900.db2.gz VDGCVKGADNMYOA-NEPJUHHUSA-N 0 3 296.440 2.235 20 70 CEIDHN CC(C)[C@H](CNC(=O)CCC(C)(C)C)N1CCN(C)CC1 ZINC000160049081 344456779 /nfs/dbraw/zinc/45/67/79/344456779.db2.gz QOEWNNRSBXIJSR-HNNXBMFYSA-N 0 3 297.487 2.201 20 70 CEIDHN O=C(N[C@H]1CCN(CC2CC2)C1)N1CCCCCC1 ZINC000160623046 344460143 /nfs/dbraw/zinc/46/01/43/344460143.db2.gz NYPFJSIHPMNOCU-AWEZNQCLSA-N 0 3 265.401 2.056 20 70 CEIDHN C[C@H](N)C(=O)NCC(C)(C)CCCc1ccccc1 ZINC000160121709 232249571 /nfs/dbraw/zinc/24/95/71/232249571.db2.gz AYLHGABHXBZMRK-ZDUSSCGKSA-N 0 3 262.397 2.499 20 70 CEIDHN CCCn1nccc1CNC[C@H](c1ccco1)N(C)C ZINC000159975773 540108980 /nfs/dbraw/zinc/10/89/80/540108980.db2.gz YGWYUFPDNPYWJE-CQSZACIVSA-N 0 3 276.384 2.279 20 70 CEIDHN CCCCN(C)CCNC(=O)C[C@H](C)c1ccncc1 ZINC000160319578 540597061 /nfs/dbraw/zinc/59/70/61/540597061.db2.gz KPLZUEISIQOLGQ-AWEZNQCLSA-N 0 3 277.412 2.423 20 70 CEIDHN CCN(CCCCS(C)(=O)=O)Cc1ccccc1 ZINC000161091522 540718716 /nfs/dbraw/zinc/71/87/16/540718716.db2.gz CYPWFFQKPDOOQF-UHFFFAOYSA-N 0 3 269.410 2.333 20 70 CEIDHN CN(Cc1ccccc1)CC(C)(C)NCc1cc[nH]n1 ZINC000159382270 366907028 /nfs/dbraw/zinc/90/70/28/366907028.db2.gz SRDCOYOIBQTRIQ-UHFFFAOYSA-N 0 3 272.396 2.410 20 70 CEIDHN CN(CCOC[C@@H]1CCCO1)Cc1cccc(N(C)C)c1 ZINC000159870922 366956336 /nfs/dbraw/zinc/95/63/36/366956336.db2.gz NABMMYJTFFXSIS-KRWDZBQOSA-N 0 3 292.423 2.380 20 70 CEIDHN CCN1CCCN(C(=O)NCCc2ccc(C)cc2)CC1 ZINC000159870026 366956628 /nfs/dbraw/zinc/95/66/28/366956628.db2.gz LJWVTDWLCBXOFL-UHFFFAOYSA-N 0 3 289.423 2.275 20 70 CEIDHN CN(CCNc1ccncc1Br)C1CC1 ZINC000159842520 366953811 /nfs/dbraw/zinc/95/38/11/366953811.db2.gz FZWAHAAHQYHFES-UHFFFAOYSA-N 0 3 270.174 2.350 20 70 CEIDHN CN(C[C@@H](O)c1ccc(F)cc1)CC1(O)CCCC1 ZINC000159859016 366955069 /nfs/dbraw/zinc/95/50/69/366955069.db2.gz XAVYUFNBKRYKHX-CQSZACIVSA-N 0 3 267.344 2.096 20 70 CEIDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1cccc(F)c1 ZINC000160011402 366965626 /nfs/dbraw/zinc/96/56/26/366965626.db2.gz YNFQPECWEZKYMW-IOASZLSFSA-N 0 3 292.354 2.297 20 70 CEIDHN CCn1nccc1CNC[C@H](O)c1ccc(C)cc1 ZINC000160103964 366973048 /nfs/dbraw/zinc/97/30/48/366973048.db2.gz YJNGUVDZAWIMTI-HNNXBMFYSA-N 0 3 259.353 2.035 20 70 CEIDHN Cc1cc(C)cc(-c2nnc(NC(=O)C(C)(C)N)s2)c1 ZINC000160115728 366974813 /nfs/dbraw/zinc/97/48/13/366974813.db2.gz URYWCWYBFQLJTK-UHFFFAOYSA-N 0 3 290.392 2.498 20 70 CEIDHN C[C@@H](NC[C@H]1CCCC[C@@H]1O)c1cncc(F)c1 ZINC000160597083 367021043 /nfs/dbraw/zinc/02/10/43/367021043.db2.gz UYCOICSSWHECDS-GYSYKLTISA-N 0 3 252.333 2.422 20 70 CEIDHN Cc1cccc(CNC(=O)c2ccc(CN(C)C)cc2)n1 ZINC000160646038 367023788 /nfs/dbraw/zinc/02/37/88/367023788.db2.gz MBACLEKVPXGVGH-UHFFFAOYSA-N 0 3 283.375 2.382 20 70 CEIDHN CN(C)[C@@H]1CCCN(C(=O)N2CCCCCC2)C1 ZINC000160650633 367023810 /nfs/dbraw/zinc/02/38/10/367023810.db2.gz QPLCTMKGSBNPEX-CYBMUJFWSA-N 0 3 253.390 2.008 20 70 CEIDHN Cc1ccc(C(=O)NC[C@H]2CCCN2CC(C)C)o1 ZINC000160454329 367008573 /nfs/dbraw/zinc/00/85/73/367008573.db2.gz PVPBHNNKDFNGJF-CYBMUJFWSA-N 0 3 264.369 2.438 20 70 CEIDHN CN(CCN1CCCC1)C(=O)N1CCCCCC1 ZINC000160562066 367016413 /nfs/dbraw/zinc/01/64/13/367016413.db2.gz RZUMAUHHHAZHFJ-UHFFFAOYSA-N 0 3 253.390 2.010 20 70 CEIDHN CCCN(CCO)Cc1cc(OC)c(OCC)c(OC)c1 ZINC000161229835 367070167 /nfs/dbraw/zinc/07/01/67/367070167.db2.gz GEOGWHMMQAHNEO-UHFFFAOYSA-N 0 3 297.395 2.307 20 70 CEIDHN Cc1cnn(-c2ccc(NC(=O)[C@@H](N)C(C)C)cc2F)c1 ZINC000161233426 367070364 /nfs/dbraw/zinc/07/03/64/367070364.db2.gz RJKRVRQTLNJUIT-AWEZNQCLSA-N 0 3 290.342 2.242 20 70 CEIDHN CSC[C@](C)(O)CNCc1ccccc1OC(F)F ZINC000217859711 370201098 /nfs/dbraw/zinc/20/10/98/370201098.db2.gz QWWWBPUVKIZWOR-CYBMUJFWSA-N 0 3 291.363 2.492 20 70 CEIDHN CCc1ncnc(N[C@H](C)CN2CCCCC2)c1F ZINC000217970881 370203303 /nfs/dbraw/zinc/20/33/03/370203303.db2.gz XEZQVTKJTGUXDI-LLVKDONJSA-N 0 3 266.364 2.464 20 70 CEIDHN CCN1CCCN(C(=O)N[C@@H]2CCc3ccccc32)CC1 ZINC000159567579 395058056 /nfs/dbraw/zinc/05/80/56/395058056.db2.gz SCOWZOYMUOCYTR-MRXNPFEDSA-N 0 3 287.407 2.411 20 70 CEIDHN C[C@@H](N)C(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000161046564 400283856 /nfs/dbraw/zinc/28/38/56/400283856.db2.gz IERQDIZGOLEQPV-CWSCBRNRSA-N 0 3 250.317 2.082 20 70 CEIDHN CC[C@](C)(CN)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000217092804 153298669 /nfs/dbraw/zinc/29/86/69/153298669.db2.gz SGPSQMXMRNKZBF-OAHLLOKOSA-N 0 3 291.351 2.380 20 70 CEIDHN C[C@@H](N)C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000161071250 286907114 /nfs/dbraw/zinc/90/71/14/286907114.db2.gz NYRWERTYIDLLJC-SECBINFHSA-N 0 3 250.346 2.133 20 70 CEIDHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cc(-c2ccccc2)n[nH]1 ZINC000159707686 162312450 /nfs/dbraw/zinc/31/24/50/162312450.db2.gz AABYPEOIWOQRQW-GXTWGEPZSA-N 0 3 298.390 2.163 20 70 CEIDHN CCC[C@H](N)C(=O)N1CCC[C@H]1COc1ccccc1 ZINC000159846316 162315836 /nfs/dbraw/zinc/31/58/36/162315836.db2.gz SJAPISDFYUFGEP-ZFWWWQNUSA-N 0 3 276.380 2.184 20 70 CEIDHN C[C@@H](Cc1ccccc1F)C(=O)NC[C@H]1CCCN1C ZINC000160133608 261206310 /nfs/dbraw/zinc/20/63/10/261206310.db2.gz APCZUJATJHXKST-GXTWGEPZSA-N 0 3 278.371 2.215 20 70 CEIDHN CC(C)(C)C1CCC(CN2CCO[C@H](C(N)=O)C2)CC1 ZINC000159900480 278300562 /nfs/dbraw/zinc/30/05/62/278300562.db2.gz FJORLWJKHZVMNC-RUXDESIVSA-N 0 3 282.428 2.025 20 70 CEIDHN CCCN1CCCN(C(=O)COC2CCCCC2)CC1 ZINC000160379262 519848391 /nfs/dbraw/zinc/84/83/91/519848391.db2.gz AVGWVKDCYLTQFE-UHFFFAOYSA-N 0 3 282.428 2.280 20 70 CEIDHN C[C@@H](C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)N1[C@H](C)CC[C@H]1C ZINC000159392785 524229384 /nfs/dbraw/zinc/22/93/84/524229384.db2.gz YUUJUMPQPDVCNU-QUEVPRLRSA-N 0 3 294.439 2.322 20 70 CEIDHN C[C@@H](CC(=O)NC[C@H](C)N(C)C1CC1)c1ccncc1 ZINC000159916870 539278378 /nfs/dbraw/zinc/27/83/78/539278378.db2.gz RWGUBSDWRBJXLM-STQMWFEESA-N 0 3 275.396 2.174 20 70 CEIDHN CC[C@@H](C(=O)N[C@@H](C)Cc1ccccc1F)N(C)C ZINC000161128508 188509635 /nfs/dbraw/zinc/50/96/35/188509635.db2.gz HVPNNDOJIWGBKY-FZMZJTMJSA-N 0 3 266.360 2.213 20 70 CEIDHN CCS(=O)(=O)c1ccc([C@H](C)NCC2(C)COC2)cc1 ZINC000159505004 540413192 /nfs/dbraw/zinc/41/31/92/540413192.db2.gz PQLRSANSEDLBNF-LBPRGKRZSA-N 0 3 297.420 2.167 20 70 CEIDHN COCCN(C)CCN[C@@H]1CSCCc2ccccc21 ZINC000159402919 366908877 /nfs/dbraw/zinc/90/88/77/366908877.db2.gz MFGLNJZNBOSZBI-MRXNPFEDSA-N 0 3 294.464 2.185 20 70 CEIDHN CCc1ccc([C@@H](C)NCCN(C)CCOC)o1 ZINC000159431829 366911774 /nfs/dbraw/zinc/91/17/74/366911774.db2.gz NTFVFTZRNHXVLX-GFCCVEGCSA-N 0 3 254.374 2.071 20 70 CEIDHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000159438659 366913245 /nfs/dbraw/zinc/91/32/45/366913245.db2.gz NHIJTKXWQFGDJI-BXKDBHETSA-N 0 3 266.389 2.310 20 70 CEIDHN CCN1CCCN(C(=O)NCCc2cccc(F)c2)CC1 ZINC000159557840 366925538 /nfs/dbraw/zinc/92/55/38/366925538.db2.gz UHOCRLUQMPETAM-UHFFFAOYSA-N 0 3 293.386 2.105 20 70 CEIDHN Cc1cc(CN2C[C@H](C(N)=O)CC[C@@H]2C)ccc1F ZINC000159587830 366929400 /nfs/dbraw/zinc/92/94/00/366929400.db2.gz ZUJWGTJCFUVQIZ-WCQYABFASA-N 0 3 264.344 2.220 20 70 CEIDHN CC(C)[C@@H](C(=O)N[C@@H](C)CNc1ccccc1)N(C)C ZINC000159585075 366929474 /nfs/dbraw/zinc/92/94/74/366929474.db2.gz BYKXEFUOEGZKAW-ZFWWWQNUSA-N 0 3 277.412 2.189 20 70 CEIDHN C[C@@H]1CC[C@@H](C(N)=O)CN1CC1=Cc2ccccc2OC1 ZINC000159600567 366931429 /nfs/dbraw/zinc/93/14/29/366931429.db2.gz NDZIKFJLCWITNF-IUODEOHRSA-N 0 3 286.375 2.048 20 70 CEIDHN CS[C@@H](C)CNC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000159644251 366935321 /nfs/dbraw/zinc/93/53/21/366935321.db2.gz RMLSHBGGQDMXBO-RYUDHWBXSA-N 0 3 275.462 2.013 20 70 CEIDHN CC(C)(NC(=O)[C@]1(F)CCNC1)c1cccc(Cl)c1 ZINC000159648285 366935909 /nfs/dbraw/zinc/93/59/09/366935909.db2.gz RHKIJOURPZDJOG-AWEZNQCLSA-N 0 3 284.762 2.393 20 70 CEIDHN Cc1ccc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)cc1F ZINC000159685097 366938463 /nfs/dbraw/zinc/93/84/63/366938463.db2.gz IDPYAAWJMGTGCS-AAEUAGOBSA-N 0 3 264.344 2.220 20 70 CEIDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1cccc(F)c1 ZINC000160011145 366966112 /nfs/dbraw/zinc/96/61/12/366966112.db2.gz YNFQPECWEZKYMW-ZENOOKHLSA-N 0 3 292.354 2.297 20 70 CEIDHN CC[C@H](COC)NCc1ccc(OC(C)C)nc1 ZINC000160100378 366972797 /nfs/dbraw/zinc/97/27/97/366972797.db2.gz LXHGJCJJYKRNFX-CYBMUJFWSA-N 0 3 252.358 2.383 20 70 CEIDHN CC(C)Oc1c(Cl)cccc1NC(=O)[C@H](C)N ZINC000160921983 367044427 /nfs/dbraw/zinc/04/44/27/367044427.db2.gz FPMKWHGKTDUGPY-QMMMGPOBSA-N 0 3 256.733 2.413 20 70 CEIDHN CCCN1CCC[C@H]1C(=O)Nc1ccc(OC)c(N)c1 ZINC000161001984 367048238 /nfs/dbraw/zinc/04/82/38/367048238.db2.gz UYNQAEBHILGPIY-ZDUSSCGKSA-N 0 3 277.368 2.090 20 70 CEIDHN CCO[C@H]1CCCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000161088271 367055479 /nfs/dbraw/zinc/05/54/79/367055479.db2.gz DCUBBVDJFCXITC-INIZCTEOSA-N 0 3 290.407 2.389 20 70 CEIDHN C[C@@H](N)C(=O)NC(c1cccs1)c1cccs1 ZINC000161299514 367076199 /nfs/dbraw/zinc/07/61/99/367076199.db2.gz SBDHUEDGKSTVRO-MRVPVSSYSA-N 0 3 266.391 2.362 20 70 CEIDHN C[C@H](NC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C)C1CCCC1 ZINC000160706690 367028737 /nfs/dbraw/zinc/02/87/37/367028737.db2.gz ATQXHNRGHZWTNG-PLNCSYRRSA-N 0 3 294.439 2.214 20 70 CEIDHN COC(CN1CCC[C@@H]1C[C@H](O)c1cccs1)OC ZINC000161458935 367088187 /nfs/dbraw/zinc/08/81/87/367088187.db2.gz SZQWQAVSUPGGIH-NEPJUHHUSA-N 0 3 285.409 2.255 20 70 CEIDHN CCN1CCCN(C(=O)N[C@H]2CCCc3occc32)CC1 ZINC000159662380 395059337 /nfs/dbraw/zinc/05/93/37/395059337.db2.gz JAJVLNHACQJTBE-AWEZNQCLSA-N 0 3 291.395 2.394 20 70 CEIDHN C[C@H]1CN(C(=O)C2(N)CC2)CC[C@H]1c1ccccc1 ZINC000161231477 395063631 /nfs/dbraw/zinc/06/36/31/395063631.db2.gz QMIANWNUSOQNAA-GXTWGEPZSA-N 0 3 258.365 2.130 20 70 CEIDHN CC[C@H](N)C(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000161052625 400284335 /nfs/dbraw/zinc/28/43/35/400284335.db2.gz NVEMNDDGJSATOZ-MFKMUULPSA-N 0 3 268.788 2.467 20 70 CEIDHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cnc(C2CCC2)s1 ZINC000159678758 162310383 /nfs/dbraw/zinc/31/03/83/162310383.db2.gz YCOFBCKPILCOTB-JQWIXIFHSA-N 0 3 293.436 2.496 20 70 CEIDHN COc1ccc2c(c1)[C@H](N[C@H](CCO)CSC)CC2 ZINC000160219964 162326128 /nfs/dbraw/zinc/32/61/28/162326128.db2.gz FUEWKLMVJTUOPR-IUODEOHRSA-N 0 3 281.421 2.386 20 70 CEIDHN COc1cccc(CCCN(C)[C@@H]2CCCCNC2=O)c1 ZINC000160295167 165033393 /nfs/dbraw/zinc/03/33/93/165033393.db2.gz SIHHXBZSQZWLCG-MRXNPFEDSA-N 0 3 290.407 2.228 20 70 CEIDHN CC[C@@H](C(=O)NCCc1nc2c(s1)CCCC2)N(C)C ZINC000160898956 280076752 /nfs/dbraw/zinc/07/67/52/280076752.db2.gz OHLQXEQQNVPVLQ-LBPRGKRZSA-N 0 3 295.452 2.021 20 70 CEIDHN CC[C@H]1CCC[C@H]1NC(=O)N1CCCN(CC)CC1 ZINC000159973738 288230972 /nfs/dbraw/zinc/23/09/72/288230972.db2.gz LUHKOAYYUMUAOH-UONOGXRCSA-N 0 3 267.417 2.302 20 70 CEIDHN CC(C)[C@@H](C(=O)N[C@H]1C[C@H]1c1ccccc1)N(C)C ZINC000159696740 297429899 /nfs/dbraw/zinc/42/98/99/297429899.db2.gz KUVBFWSEWSTJQQ-KKUMJFAQSA-N 0 3 260.381 2.245 20 70 CEIDHN CSC[C@H](CCO)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000160283275 533789840 /nfs/dbraw/zinc/78/98/40/533789840.db2.gz SLVCDLNSZPPDTM-AAEUAGOBSA-N 0 3 297.420 2.222 20 70 CEIDHN CCCCO[C@@H](C)C(=O)N1CCCN(CCC)CC1 ZINC000160366217 520814475 /nfs/dbraw/zinc/81/44/75/520814475.db2.gz JSDJDQWFJBHHLJ-AWEZNQCLSA-N 0 3 270.417 2.136 20 70 CEIDHN COc1ccccc1[C@H]1CCCN1CC(OC)OC ZINC000160876899 524809242 /nfs/dbraw/zinc/80/92/42/524809242.db2.gz WBUOFEHQFDABDW-CYBMUJFWSA-N 0 3 265.353 2.451 20 70 CEIDHN C[C@@H](N[C@H](C)c1ccccc1-n1cccn1)C(=O)NC1CC1 ZINC000160822363 525662278 /nfs/dbraw/zinc/66/22/78/525662278.db2.gz GXIIWIXVJSQKBG-CHWSQXEVSA-N 0 3 298.390 2.190 20 70 CEIDHN OCCOC1CCN(CCSc2ccccc2)CC1 ZINC000160435451 527555012 /nfs/dbraw/zinc/55/50/12/527555012.db2.gz VVPBXCGAZQYGLX-UHFFFAOYSA-N 0 3 281.421 2.252 20 70 CEIDHN C[C@H](CC(=O)N(C)[C@@H]1CCCN(C)C1)c1ccncc1 ZINC000160823012 539279087 /nfs/dbraw/zinc/27/90/87/539279087.db2.gz MVOPRFHVFDZXRU-UKRRQHHQSA-N 0 3 275.396 2.128 20 70 CEIDHN CN(C)C[C@@H]1CCCCN1C(=O)c1cccc2nc[nH]c21 ZINC000159402270 344454576 /nfs/dbraw/zinc/45/45/76/344454576.db2.gz SCKFKNIIDRQFAG-LBPRGKRZSA-N 0 3 286.379 2.119 20 70 CEIDHN CC(C)OC[C@@H](O)CNCc1cccc2cccnc21 ZINC000159413915 344454983 /nfs/dbraw/zinc/45/49/83/344454983.db2.gz NTKVMKWRPLPYSR-HNNXBMFYSA-N 0 3 274.364 2.110 20 70 CEIDHN CCCCOCCNC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159711291 344455728 /nfs/dbraw/zinc/45/57/28/344455728.db2.gz FFJFLNQNIGSCKQ-GJZGRUSLSA-N 0 3 282.428 2.184 20 70 CEIDHN C[C@H]1CCCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000160653447 344460745 /nfs/dbraw/zinc/46/07/45/344460745.db2.gz KATIKZINILXEJV-ZFWWWQNUSA-N 0 3 279.428 2.302 20 70 CEIDHN CCN(C)CCNC(=O)N[C@H](C)c1cccc(F)c1F ZINC000161134998 188510677 /nfs/dbraw/zinc/51/06/77/188510677.db2.gz MUVHRXRILDZWAU-SNVBAGLBSA-N 0 3 285.338 2.277 20 70 CEIDHN CCCn1nccc1CNCCN1CCCCCC1 ZINC000160114615 540112121 /nfs/dbraw/zinc/11/21/21/540112121.db2.gz AHAHRWCYJBOUQA-UHFFFAOYSA-N 0 3 264.417 2.259 20 70 CEIDHN Cc1ccc(C(=O)CCN(C)C[C@H](O)C2CC2)cc1 ZINC000160068855 540444777 /nfs/dbraw/zinc/44/47/77/540444777.db2.gz YAXFDUXJIXJBDD-INIZCTEOSA-N 0 3 261.365 2.271 20 70 CEIDHN Cc1ccc(NC(=O)[C@H](C)N)cc1NC(=O)C(C)(C)C ZINC000159527538 366922920 /nfs/dbraw/zinc/92/29/20/366922920.db2.gz IYNMJEVFHIZHOL-JTQLQIEISA-N 0 3 277.368 2.265 20 70 CEIDHN CCN1CCC[C@H]1CNC(=O)c1cccc(C)c1F ZINC000159572445 366927423 /nfs/dbraw/zinc/92/74/23/366927423.db2.gz PBUKAJNFRBBDOJ-LBPRGKRZSA-N 0 3 264.344 2.348 20 70 CEIDHN COc1ccccc1/C=C/CN1C[C@H](C(N)=O)CC[C@H]1C ZINC000159604828 366931586 /nfs/dbraw/zinc/93/15/86/366931586.db2.gz GJFXUDWGRDZNSS-RLWBPUTGSA-N 0 3 288.391 2.294 20 70 CEIDHN CC(C)C[C@@H](C)NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000159859543 366955093 /nfs/dbraw/zinc/95/50/93/366955093.db2.gz GAYYMPLESGMEGF-NEPJUHHUSA-N 0 3 255.406 2.203 20 70 CEIDHN CC[C@@H](C)OCC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000159992070 366964023 /nfs/dbraw/zinc/96/40/23/366964023.db2.gz SORUKZGCQSWMAG-ZBFHGGJFSA-N 0 3 292.423 2.091 20 70 CEIDHN C[C@@]1(NCc2ccc(Br)cn2)CCOC1 ZINC000160189914 366980783 /nfs/dbraw/zinc/98/07/83/366980783.db2.gz HQJQVSHZBWSPBR-LLVKDONJSA-N 0 3 271.158 2.113 20 70 CEIDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cnccn1 ZINC000160216084 366983515 /nfs/dbraw/zinc/98/35/15/366983515.db2.gz CKPLDCWZSVTQDF-HIFRSBDPSA-N 0 3 268.364 2.409 20 70 CEIDHN Cc1noc(Cl)c1CC(=O)NCCN1CCCC[C@H]1C ZINC000160252465 366987058 /nfs/dbraw/zinc/98/70/58/366987058.db2.gz IYBVJNLLIKYDID-SNVBAGLBSA-N 0 3 299.802 2.170 20 70 CEIDHN CC1CCN(CCNC(=O)NC[C@]2(C)CCCS2)CC1 ZINC000160272940 366989043 /nfs/dbraw/zinc/98/90/43/366989043.db2.gz DZGVAHXHMQFIDM-HNNXBMFYSA-N 0 3 299.484 2.303 20 70 CEIDHN CC[C@H](C(=O)N(C)CCCc1ccc(OC)cc1)N(C)C ZINC000160285015 366991202 /nfs/dbraw/zinc/99/12/02/366991202.db2.gz FFDRAZQCVPXQFK-MRXNPFEDSA-N 0 3 292.423 2.426 20 70 CEIDHN COC[C@H](NCc1cn2c(cccc2C)n1)C1CC1 ZINC000160346248 366996481 /nfs/dbraw/zinc/99/64/81/366996481.db2.gz VYOLDSCPYOWPFO-AWEZNQCLSA-N 0 3 259.353 2.157 20 70 CEIDHN CC[C@H](C(=O)NCCc1csc(C(C)(C)C)n1)N(C)C ZINC000160629946 367022229 /nfs/dbraw/zinc/02/22/29/367022229.db2.gz KUVGOGPEIYBGDG-GFCCVEGCSA-N 0 3 297.468 2.440 20 70 CEIDHN CCN(C)CCNC(=O)N[C@@H](C)c1cccc(F)c1F ZINC000161134868 367060721 /nfs/dbraw/zinc/06/07/21/367060721.db2.gz MUVHRXRILDZWAU-JTQLQIEISA-N 0 3 285.338 2.277 20 70 CEIDHN CC(C)CSCCCNC(=O)[C@@H](C(C)C)N(C)C ZINC000160738369 367031365 /nfs/dbraw/zinc/03/13/65/367031365.db2.gz WQGXADGQWVOHDW-CYBMUJFWSA-N 0 3 274.474 2.468 20 70 CEIDHN CN(C[C@@H]1CCCN1C)C(=O)NC1CCCCC1 ZINC000160668341 395061910 /nfs/dbraw/zinc/06/19/10/395061910.db2.gz FDBCKSVUIGBHHN-ZDUSSCGKSA-N 0 3 253.390 2.055 20 70 CEIDHN CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)CN ZINC000160078427 297432813 /nfs/dbraw/zinc/43/28/13/297432813.db2.gz BILRCNFNIFCWTC-CYBMUJFWSA-N 0 3 254.761 2.454 20 70 CEIDHN CCOCCCN1CCN(CCC(C)(C)C)CC1 ZINC000159511327 162310007 /nfs/dbraw/zinc/31/00/07/162310007.db2.gz XVXAEYXNAUKTFK-UHFFFAOYSA-N 0 3 256.434 2.467 20 70 CEIDHN CCCC1(CNC(=O)N2CCCN(CC)CC2)CC1 ZINC000159986697 162320506 /nfs/dbraw/zinc/32/05/06/162320506.db2.gz OWOBTQPKGJYHFH-UHFFFAOYSA-N 0 3 267.417 2.304 20 70 CEIDHN COCC1CCN(Cc2cnc3ccccn23)CC1 ZINC000160374585 162327223 /nfs/dbraw/zinc/32/72/23/162327223.db2.gz NEIYSRDGKIBDBO-UHFFFAOYSA-N 0 3 259.353 2.193 20 70 CEIDHN Fc1cc(Cl)ccc1CNC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000160855308 162327365 /nfs/dbraw/zinc/32/73/65/162327365.db2.gz SVGYKBVYTGIKEN-ZIAGYGMSSA-N 0 3 298.789 2.432 20 70 CEIDHN C[C@@H](NCCc1ccc2c(c1)OCO2)c1cnccn1 ZINC000161126260 297442044 /nfs/dbraw/zinc/44/20/44/297442044.db2.gz ZXPXWYIBPQAMRK-LLVKDONJSA-N 0 3 271.320 2.099 20 70 CEIDHN COC(C)(C)CNCc1cncc(Br)c1 ZINC000160595398 522492879 /nfs/dbraw/zinc/49/28/79/522492879.db2.gz KULLBIZZOUXLLO-UHFFFAOYSA-N 0 3 273.174 2.359 20 70 CEIDHN CC[C@@H](C(=O)NC[C@H]1CCN(C)c2ccccc21)N(C)C ZINC000159667662 521846743 /nfs/dbraw/zinc/84/67/43/521846743.db2.gz BETQVTNZYGAHHV-HIFRSBDPSA-N 0 3 289.423 2.067 20 70 CEIDHN C[C@H](O)C[C@H](C)NCc1cncc(Br)c1 ZINC000160594713 525813171 /nfs/dbraw/zinc/81/31/71/525813171.db2.gz CPTSYLLELXLLSF-IUCAKERBSA-N 0 3 273.174 2.093 20 70 CEIDHN O=C([C@H]1CCCCN1CCC1CCCC1)N1CCOCC1 ZINC000160391547 526534274 /nfs/dbraw/zinc/53/42/74/526534274.db2.gz JZQDZXXGOKJRRQ-MRXNPFEDSA-N 0 3 294.439 2.280 20 70 CEIDHN CCC(CC)n1nccc1C(=O)NC[C@@H]1CCCN1CC ZINC000160700987 528914883 /nfs/dbraw/zinc/91/48/83/528914883.db2.gz RTQQUFUZIAOVKS-AWEZNQCLSA-N 0 3 292.427 2.458 20 70 CEIDHN CC(C)CCN(C)C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000160265483 540114441 /nfs/dbraw/zinc/11/44/41/540114441.db2.gz GFGWXRBFVFJVAJ-HEHGZKQESA-N 0 3 282.428 2.023 20 70 CEIDHN Cc1ncsc1CCN[C@@](C)(CO)c1ccccc1 ZINC000217731938 540412954 /nfs/dbraw/zinc/41/29/54/540412954.db2.gz HKNKEHYIJAXPMA-HNNXBMFYSA-N 0 3 276.405 2.491 20 70 CEIDHN CC(C)[C@H](N)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000159723295 366943477 /nfs/dbraw/zinc/94/34/77/366943477.db2.gz KDZGNNJRSBJNQY-ILXRZTDVSA-N 0 3 260.381 2.422 20 70 CEIDHN COc1ccc([C@@H](C)NCCCN2CCCC2=O)c(F)c1 ZINC000159478571 366917496 /nfs/dbraw/zinc/91/74/96/366917496.db2.gz STDWZDMGLCKYNC-GFCCVEGCSA-N 0 3 294.370 2.497 20 70 CEIDHN c1c(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)nc2ccccn12 ZINC000159494695 366919081 /nfs/dbraw/zinc/91/90/81/366919081.db2.gz KFSZBKBWTXXUIN-BMFZPTHFSA-N 0 3 283.375 2.382 20 70 CEIDHN CN(C)[C@@H](CNC(=O)C1(C)CC1)Cc1ccccc1 ZINC000159632221 366934126 /nfs/dbraw/zinc/93/41/26/366934126.db2.gz BMLNYZACJNRPTM-CQSZACIVSA-N 0 3 260.381 2.076 20 70 CEIDHN Cc1ccsc1[C@H]1C[C@@H]1C(=O)NC1CCN(C)CC1 ZINC000159854765 366953120 /nfs/dbraw/zinc/95/31/20/366953120.db2.gz PIHXKICUNNEOEX-STQMWFEESA-N 0 3 278.421 2.370 20 70 CEIDHN C[C@H](C(=O)NC[C@H]1CCCN1C)c1cccs1 ZINC000160134999 366976802 /nfs/dbraw/zinc/97/68/02/366976802.db2.gz RVVSGSMFHZIPLF-WDEREUQCSA-N 0 3 252.383 2.062 20 70 CEIDHN CCCCn1ncc(NC(=O)N2CC[C@H](N(C)C)C2)c1C ZINC000160233692 366986129 /nfs/dbraw/zinc/98/61/29/366986129.db2.gz DYFFZDNRFQUTMO-ZDUSSCGKSA-N 0 3 293.415 2.159 20 70 CEIDHN CC[C@H](N)C(=O)Nc1ccc(C)c(OC(F)F)c1 ZINC000160092348 366971166 /nfs/dbraw/zinc/97/11/66/366971166.db2.gz DQJUZPXTPPBFEN-VIFPVBQESA-N 0 3 258.268 2.272 20 70 CEIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000160572314 367018692 /nfs/dbraw/zinc/01/86/92/367018692.db2.gz HIOZYMISJVPXGF-IHRRRGAJSA-N 0 3 270.417 2.038 20 70 CEIDHN C[C@@H]1Cc2ccccc2[C@H]1NCC(=O)NCC(F)(F)F ZINC000160554005 367017214 /nfs/dbraw/zinc/01/72/14/367017214.db2.gz CZTNKOCAQLSSGQ-RNCFNFMXSA-N 0 3 286.297 2.188 20 70 CEIDHN COc1ccccc1C[C@H](NCC(=O)NC(C)C)C(C)C ZINC000160995776 367047856 /nfs/dbraw/zinc/04/78/56/367047856.db2.gz JBQJOLTVGDJLMD-HNNXBMFYSA-N 0 3 292.423 2.377 20 70 CEIDHN CC(=O)NC1CCC(NCc2nccn2CC(C)C)CC1 ZINC000161030775 367051562 /nfs/dbraw/zinc/05/15/62/367051562.db2.gz GDOFJBAZQOGMLQ-UHFFFAOYSA-N 0 3 292.427 2.076 20 70 CEIDHN COC(CN1CC[C@H](COCc2ccccc2)C1)OC ZINC000161279561 367074578 /nfs/dbraw/zinc/07/45/78/367074578.db2.gz LEIGJFQGRBFVCH-HNNXBMFYSA-N 0 3 279.380 2.144 20 70 CEIDHN CCCC1(CNC(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000161376986 367082686 /nfs/dbraw/zinc/08/26/86/367082686.db2.gz BPPVIDAWXBTTNC-UHFFFAOYSA-N 0 3 293.415 2.147 20 70 CEIDHN CC[NH+]1CCC(NC(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000161399367 367084048 /nfs/dbraw/zinc/08/40/48/367084048.db2.gz PLJNYWHMSIXJPS-UHFFFAOYSA-N 0 3 296.798 2.189 20 70 CEIDHN COc1cccc(CNCC2(CO)CCCC2)c1OC ZINC000160115902 162322575 /nfs/dbraw/zinc/32/25/75/162322575.db2.gz XDRNFOFNPBJXTJ-UHFFFAOYSA-N 0 3 279.380 2.346 20 70 CEIDHN O[C@@H](CNCCc1cccc2cccnc21)C(F)(F)F ZINC000159379175 297428665 /nfs/dbraw/zinc/42/86/65/297428665.db2.gz PCBRKPQOTYNFDS-LBPRGKRZSA-N 0 3 284.281 2.290 20 70 CEIDHN CCCN1CCCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000160381841 519849077 /nfs/dbraw/zinc/84/90/77/519849077.db2.gz LVMMEANFMYBCGZ-AWEZNQCLSA-N 0 3 250.386 2.287 20 70 CEIDHN C[C@H](C(=O)NC[C@H]1CCCN(C)C1)c1cccs1 ZINC000159515096 344455315 /nfs/dbraw/zinc/45/53/15/344455315.db2.gz JLCIWXNRFWZYRS-NWDGAFQWSA-N 0 3 266.410 2.310 20 70 CEIDHN C[C@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000160653207 344460643 /nfs/dbraw/zinc/46/06/43/344460643.db2.gz KATIKZINILXEJV-DZGCQCFKSA-N 0 3 279.428 2.302 20 70 CEIDHN CCO[C@@H]1C[C@@H](NCC(=O)NC(C)(C)C)C12CCCC2 ZINC000159865047 540434781 /nfs/dbraw/zinc/43/47/81/540434781.db2.gz UABPBRDZSCYCHF-CHWSQXEVSA-N 0 3 282.428 2.229 20 70 CEIDHN CC[C@H](C(=O)NC[C@H](OC)c1ccccc1Cl)N(C)C ZINC000161396002 540812505 /nfs/dbraw/zinc/81/25/05/540812505.db2.gz NNCCFKBBFDYKPC-KGLIPLIRSA-N 0 3 298.814 2.484 20 70 CEIDHN COCCC1(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000159786104 366947271 /nfs/dbraw/zinc/94/72/71/366947271.db2.gz UFWBIYIFOQOESJ-ZIAGYGMSSA-N 0 3 282.428 2.040 20 70 CEIDHN Cc1ccc(CN2CCC(CC(N)=O)CC2)s1 ZINC000159750055 366944500 /nfs/dbraw/zinc/94/45/00/366944500.db2.gz ZWGBUFILSYDWLK-UHFFFAOYSA-N 0 3 252.383 2.144 20 70 CEIDHN CN(Cc1ccccc1)CC(C)(C)NCc1ncc[nH]1 ZINC000159368203 366906139 /nfs/dbraw/zinc/90/61/39/366906139.db2.gz RLSFIEBOUHZEAV-UHFFFAOYSA-N 0 3 272.396 2.410 20 70 CEIDHN CC[C@H](N)C(=O)NCCCCCOC1CCCCC1 ZINC000159534597 366924516 /nfs/dbraw/zinc/92/45/16/366924516.db2.gz HQPQMPGOALOBSP-AWEZNQCLSA-N 0 3 270.417 2.360 20 70 CEIDHN CCO[C@H]1C[C@H](NC(=O)[C@@H](N)CC(C)C)C12CCCC2 ZINC000159558636 366925714 /nfs/dbraw/zinc/92/57/14/366925714.db2.gz JVNTURLEVSYMMW-IHRRRGAJSA-N 0 3 282.428 2.214 20 70 CEIDHN CCS[C@H]1CCCCN(C(=O)[C@H](N)C(C)C)C1 ZINC000159766852 366946648 /nfs/dbraw/zinc/94/66/48/366946648.db2.gz JROAZFWNNXQALH-NWDGAFQWSA-N 0 3 258.431 2.104 20 70 CEIDHN CNC(=O)[C@@H]1CCCN(CCC(=O)c2ccc(C)cc2)C1 ZINC000159613136 366932100 /nfs/dbraw/zinc/93/21/00/366932100.db2.gz ZWNHWSAJXMYPDS-OAHLLOKOSA-N 0 3 288.391 2.026 20 70 CEIDHN CC(C)C[C@H](C)NC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000159859423 366954965 /nfs/dbraw/zinc/95/49/65/366954965.db2.gz GAYYMPLESGMEGF-NWDGAFQWSA-N 0 3 255.406 2.203 20 70 CEIDHN CCN(CC)C(=O)C[C@@H](C)NC[C@](C)(O)c1ccsc1 ZINC000160081328 366971566 /nfs/dbraw/zinc/97/15/66/366971566.db2.gz VUGMLXSFJORBMQ-DOMZBBRYSA-N 0 3 298.452 2.192 20 70 CEIDHN CCC(CC)CNC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000160573781 367018113 /nfs/dbraw/zinc/01/81/13/367018113.db2.gz LZISCDFQCFBVMV-AWEZNQCLSA-N 0 3 269.433 2.406 20 70 CEIDHN CCc1ccc([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)o1 ZINC000160576417 367019759 /nfs/dbraw/zinc/01/97/59/367019759.db2.gz CLQWFXOEXMIDRM-PWSUYJOCSA-N 0 3 274.368 2.408 20 70 CEIDHN COc1ccc([C@@H](C)[C@H](C)NCC(=O)NC(C)C)cc1 ZINC000160972137 367046962 /nfs/dbraw/zinc/04/69/62/367046962.db2.gz JRCCPBIXRKPTKY-STQMWFEESA-N 0 3 278.396 2.301 20 70 CEIDHN C[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000161065121 367053111 /nfs/dbraw/zinc/05/31/11/367053111.db2.gz QORJFTDQDPSZJB-YPMHNXCESA-N 0 3 274.389 2.495 20 70 CEIDHN CCn1c(CNC(C)(C)[C@H](C)O)nc2ccccc21 ZINC000161152940 367062821 /nfs/dbraw/zinc/06/28/21/367062821.db2.gz IBPZQQZNILGUCA-NSHDSACASA-N 0 3 261.369 2.305 20 70 CEIDHN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)CNCCOC ZINC000161386158 367082961 /nfs/dbraw/zinc/08/29/61/367082961.db2.gz PQMZEJOXKZNUAT-MRXNPFEDSA-N 0 3 292.423 2.011 20 70 CEIDHN CC(C)C[C@H]1CCN(C(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000159611258 395058860 /nfs/dbraw/zinc/05/88/60/395058860.db2.gz ROUQTQGHAGCEMI-CVEARBPZSA-N 0 3 274.408 2.451 20 70 CEIDHN CC[C@H](N)C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000161098200 395063700 /nfs/dbraw/zinc/06/37/00/395063700.db2.gz CCKDHWSISVAKSD-HERUPUMHSA-N 0 3 264.344 2.303 20 70 CEIDHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cc(-c2ccccc2)n[nH]1 ZINC000159707561 162313400 /nfs/dbraw/zinc/31/34/00/162313400.db2.gz AABYPEOIWOQRQW-TZMCWYRMSA-N 0 3 298.390 2.163 20 70 CEIDHN CCCCN(CC)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160001923 162319307 /nfs/dbraw/zinc/31/93/07/162319307.db2.gz NBWGNYMIGLFCBA-DVOMOZLQSA-N 0 3 282.428 2.168 20 70 CEIDHN CC[C@H](C(=O)N1CCO[C@H](c2ccccc2C)C1)N(C)C ZINC000159936406 162320589 /nfs/dbraw/zinc/32/05/89/162320589.db2.gz IMVOYTAFIWHNEH-CVEARBPZSA-N 0 3 290.407 2.235 20 70 CEIDHN C[C@@H]1C[C@@H](Nc2nnc(C(F)(F)F)s2)CCN1C ZINC000160177143 162322432 /nfs/dbraw/zinc/32/24/32/162322432.db2.gz ZJURGEJTBHDMIL-RQJHMYQMSA-N 0 3 280.319 2.452 20 70 CEIDHN C[C@H](CN1CCCCC1)NC(=O)NC[C@@]1(C)CCCS1 ZINC000160305803 297434553 /nfs/dbraw/zinc/43/45/53/297434553.db2.gz WIBKFQVYTFLSOV-UKRRQHHQSA-N 0 3 299.484 2.446 20 70 CEIDHN CCCN1CCCN(C(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000160358563 519850609 /nfs/dbraw/zinc/85/06/09/519850609.db2.gz VHAJNWXWKYGRIF-HNNXBMFYSA-N 0 3 290.407 2.398 20 70 CEIDHN Cc1ccc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)cn1 ZINC000161005210 524599899 /nfs/dbraw/zinc/59/98/99/524599899.db2.gz RIWOCHPBXSKYKL-CQSZACIVSA-N 0 3 269.348 2.246 20 70 CEIDHN Cc1cccc(NC[C@H]2CCN(Cc3cnn(C)c3)C2)n1 ZINC000160914959 524683624 /nfs/dbraw/zinc/68/36/24/524683624.db2.gz GQLUAPDCEWGXDY-CQSZACIVSA-N 0 3 285.395 2.058 20 70 CEIDHN C[C@H](C(=O)N(C)Cc1cccn1C)N1CCCCCC1 ZINC000160401168 525941351 /nfs/dbraw/zinc/94/13/51/525941351.db2.gz PUBKXMOYZJXEHB-CQSZACIVSA-N 0 3 277.412 2.248 20 70 CEIDHN c1cc(CCN2CCC[C@H](c3nnc4n3CCC4)C2)ccn1 ZINC000161398496 526421008 /nfs/dbraw/zinc/42/10/08/526421008.db2.gz ZYZUVBUQCXDCHO-HNNXBMFYSA-N 0 3 297.406 2.041 20 70 CEIDHN COc1cccc(CCCN2CCC(NC(C)=O)CC2)c1 ZINC000159869326 344456292 /nfs/dbraw/zinc/45/62/92/344456292.db2.gz KMDTVMPVQQKLNH-UHFFFAOYSA-N 0 3 290.407 2.228 20 70 CEIDHN CCC(CC)CNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000160568485 344459662 /nfs/dbraw/zinc/45/96/62/344459662.db2.gz JKYKWFILBXMDQA-ZDUSSCGKSA-N 0 3 255.406 2.158 20 70 CEIDHN CNC(=O)C(C)(C)CNc1ccnc2ccccc21 ZINC000161109015 188508576 /nfs/dbraw/zinc/50/85/76/188508576.db2.gz XSOCZXGJPNXVMJ-UHFFFAOYSA-N 0 3 257.337 2.419 20 70 CEIDHN CCc1cccc(OC[C@H](O)CNCCOC(C)C)c1 ZINC000160203134 540113645 /nfs/dbraw/zinc/11/36/45/540113645.db2.gz UZJWNGBNYRPNOF-OAHLLOKOSA-N 0 3 281.396 2.003 20 70 CEIDHN CCN1CCCN(C(=O)NC[C@@H]2Cc3ccccc32)CC1 ZINC000159730965 540430594 /nfs/dbraw/zinc/43/05/94/540430594.db2.gz CJVWLICNSCMHKG-HNNXBMFYSA-N 0 3 287.407 2.064 20 70 CEIDHN CC(C)[C@@H](N)C(=O)NCC1(Sc2ccccc2)CC1 ZINC000159704922 366941485 /nfs/dbraw/zinc/94/14/85/366941485.db2.gz WORDGSXFGKWGBZ-CYBMUJFWSA-N 0 3 278.421 2.411 20 70 CEIDHN COc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1O ZINC000159514687 366921264 /nfs/dbraw/zinc/92/12/64/366921264.db2.gz WHJVGXYNEIEXAL-MAZHCROVSA-N 0 3 289.375 2.448 20 70 CEIDHN C[C@H]1CC[C@@H](C(N)=O)CN1C/C=C/c1ccc(F)cc1 ZINC000159628036 366933895 /nfs/dbraw/zinc/93/38/95/366933895.db2.gz AOPWPBHGWYZTHC-ZJRBINPNSA-N 0 3 276.355 2.425 20 70 CEIDHN C[C@H]1CC[C@H](C(N)=O)CN1C/C=C/c1ccc(F)cc1 ZINC000159627747 366934145 /nfs/dbraw/zinc/93/41/45/366934145.db2.gz AOPWPBHGWYZTHC-HAXFYCRJSA-N 0 3 276.355 2.425 20 70 CEIDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ccnc(C2CC2)n1 ZINC000160424691 367004921 /nfs/dbraw/zinc/00/49/21/367004921.db2.gz KNPQJMLFJAIIQG-YPMHNXCESA-N 0 3 260.385 2.130 20 70 CEIDHN CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160450985 367006609 /nfs/dbraw/zinc/00/66/09/367006609.db2.gz VYDJVDCZVSGTMJ-DFBGVHRSSA-N 0 3 292.379 2.166 20 70 CEIDHN CN(C[C@@H]1CCCN1C)C(=O)N1CCCCCC1 ZINC000160667798 367025369 /nfs/dbraw/zinc/02/53/69/367025369.db2.gz HYIHIAYANARFCE-ZDUSSCGKSA-N 0 3 253.390 2.008 20 70 CEIDHN Cc1nc2n(n1)C[C@H](N[C@@H]1CCCOc3ccccc31)CC2 ZINC000160476946 367009786 /nfs/dbraw/zinc/00/97/86/367009786.db2.gz HLCWTSLPKNMQLS-UKRRQHHQSA-N 0 3 298.390 2.405 20 70 CEIDHN CC[C@H](N)C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000161039976 367051587 /nfs/dbraw/zinc/05/15/87/367051587.db2.gz FQKYGDOLHZLCOT-KKUMJFAQSA-N 0 3 292.379 2.045 20 70 CEIDHN COC(CN1CCCC[C@@H]1c1cccn1C)OC ZINC000161364567 367081775 /nfs/dbraw/zinc/08/17/75/367081775.db2.gz SZLXJSSLZIPEEV-CYBMUJFWSA-N 0 3 252.358 2.171 20 70 CEIDHN CC[C@H](NC[C@@H](CO)c1ccccc1)c1cnn(C)c1 ZINC000161416404 367084662 /nfs/dbraw/zinc/08/46/62/367084662.db2.gz LVSNZRRHCWWENS-HOTGVXAUSA-N 0 3 273.380 2.237 20 70 CEIDHN Cc1cc(N2CCS(=O)(=O)[C@@H](C)C2)c2ccccc2n1 ZINC000160758067 395061504 /nfs/dbraw/zinc/06/15/04/395061504.db2.gz COXUNXFINYRHLN-LBPRGKRZSA-N 0 3 290.388 2.167 20 70 CEIDHN CC(C)[C@@H]1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000160799527 395062210 /nfs/dbraw/zinc/06/22/10/395062210.db2.gz LTMHAFYEQOIUQB-VWPFQQQWSA-N 0 3 294.439 2.023 20 70 CEIDHN CCN1CCCN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000159753881 162313017 /nfs/dbraw/zinc/31/30/17/162313017.db2.gz CINGSCYBDRJYCS-CVEARBPZSA-N 0 3 287.407 2.280 20 70 CEIDHN N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000159727794 162313532 /nfs/dbraw/zinc/31/35/32/162313532.db2.gz SCNLZMJOQXBCNA-WMZOPIPTSA-N 0 3 294.398 2.403 20 70 CEIDHN CCCCn1ncc(NC(=O)NC2CCN(C)CC2)c1C ZINC000159912301 162318338 /nfs/dbraw/zinc/31/83/38/162318338.db2.gz DHYLYDDMJRCVPQ-UHFFFAOYSA-N 0 3 293.415 2.207 20 70 CEIDHN CCc1ccccc1CNC(=O)N1CCCN(CC)CC1 ZINC000159893440 162320691 /nfs/dbraw/zinc/32/06/91/162320691.db2.gz FBNYKHCVNJGADG-UHFFFAOYSA-N 0 3 289.423 2.486 20 70 CEIDHN COc1ccc2c(c1)[C@H](N[C@H]1CCc3nc(C)nn3C1)CC2 ZINC000160386486 274139109 /nfs/dbraw/zinc/13/91/09/274139109.db2.gz HNZOCAPNRRFGDH-XJKSGUPXSA-N 0 3 298.390 2.187 20 70 CEIDHN CCC[C@@]1(C)CCCN(C(=O)[C@@H](N)CCSC)C1 ZINC000160935047 276036248 /nfs/dbraw/zinc/03/62/48/276036248.db2.gz KNZIXNQFWHPHJM-JSGCOSHPSA-N 0 3 272.458 2.496 20 70 CEIDHN C[C@@H]1C[C@H](Nc2nnc(C(F)(F)F)s2)CCN1C ZINC000160176925 279000015 /nfs/dbraw/zinc/00/00/15/279000015.db2.gz ZJURGEJTBHDMIL-RNFRBKRXSA-N 0 3 280.319 2.452 20 70 CEIDHN COc1cc(OC)cc([C@@H]2CCN(CC(OC)OC)C2)c1 ZINC000161478711 522881030 /nfs/dbraw/zinc/88/10/30/522881030.db2.gz NNCSBBWBGCWXEL-GFCCVEGCSA-N 0 3 295.379 2.112 20 70 CEIDHN O[C@]12CCCC[C@H]1CN(CCO[C@@H]1CCCCO1)CC2 ZINC000160754677 526321680 /nfs/dbraw/zinc/32/16/80/526321680.db2.gz ZTTXZCNGWVFVMT-XHSDSOJGSA-N 0 3 283.412 2.157 20 70 CEIDHN N[C@H](Cc1ccccc1)C(=O)N1CCC2(CCCC2)C1 ZINC000159584798 527390263 /nfs/dbraw/zinc/39/02/63/527390263.db2.gz MYSOLTRLBBIETL-OAHLLOKOSA-N 0 3 272.392 2.349 20 70 CEIDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCC1CCCCC1 ZINC000160120347 527851289 /nfs/dbraw/zinc/85/12/89/527851289.db2.gz XPQROPKZTQYEHM-CPUCHLNUSA-N 0 3 294.439 2.215 20 70 CEIDHN C[C@H](C(=O)NC[C@@H]1CCCN(C)C1)c1cccs1 ZINC000159514849 344454947 /nfs/dbraw/zinc/45/49/47/344454947.db2.gz JLCIWXNRFWZYRS-RYUDHWBXSA-N 0 3 266.410 2.310 20 70 CEIDHN CCCCN(CC)C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000160002174 282773259 /nfs/dbraw/zinc/77/32/59/282773259.db2.gz NBWGNYMIGLFCBA-HEHGZKQESA-N 0 3 282.428 2.168 20 70 CEIDHN C[C@H](N[C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccccn1 ZINC000160850214 188494164 /nfs/dbraw/zinc/49/41/64/188494164.db2.gz YOXHFVDOIXODLY-RWMBFGLXSA-N 0 3 282.409 2.088 20 70 CEIDHN C[C@H]1CN(C(=O)C2(N)CC2)CC[C@@H]1c1ccccc1 ZINC000161231266 188516315 /nfs/dbraw/zinc/51/63/15/188516315.db2.gz QMIANWNUSOQNAA-JSGCOSHPSA-N 0 3 258.365 2.130 20 70 CEIDHN Cc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc1 ZINC000159505870 540413538 /nfs/dbraw/zinc/41/35/38/540413538.db2.gz SSWWVXFAIODXLV-ZNMIVQPWSA-N 0 3 258.365 2.437 20 70 CEIDHN CCOc1ccccc1OCCN1CC[C@@H](O)[C@H](C)C1 ZINC000159451167 366914187 /nfs/dbraw/zinc/91/41/87/366914187.db2.gz DNAHFXZEGLXNHB-ZIAGYGMSSA-N 0 3 279.380 2.167 20 70 CEIDHN Cc1ccc(F)c(CN2C[C@@H](C(N)=O)CC[C@@H]2C)c1 ZINC000159515290 366920784 /nfs/dbraw/zinc/92/07/84/366920784.db2.gz KDLZQLDHFGZHTO-RYUDHWBXSA-N 0 3 264.344 2.220 20 70 CEIDHN CC(C)c1ncc(CN2C[C@@H](C(N)=O)CC[C@H]2C)s1 ZINC000159523475 366922752 /nfs/dbraw/zinc/92/27/52/366922752.db2.gz ZYNPDVITEJYPQU-MNOVXSKESA-N 0 3 281.425 2.352 20 70 CEIDHN CC[C@H](C(=O)NC[C@@H]1CCN(C)c2ccccc21)N(C)C ZINC000159667533 366937914 /nfs/dbraw/zinc/93/79/14/366937914.db2.gz BETQVTNZYGAHHV-DZGCQCFKSA-N 0 3 289.423 2.067 20 70 CEIDHN CN1CCC[C@@H](CNC(=O)NCC2(C3CC3)CCC2)C1 ZINC000159800482 366948885 /nfs/dbraw/zinc/94/88/85/366948885.db2.gz XPCFSTGULRLSAB-ZDUSSCGKSA-N 0 3 279.428 2.208 20 70 CEIDHN CC(C)C[C@@H](C)NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000159798076 366949149 /nfs/dbraw/zinc/94/91/49/366949149.db2.gz QGZZLIUXUWTJIU-OLZOCXBDSA-N 0 3 255.406 2.062 20 70 CEIDHN COCCN1CCC[C@@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC000159914644 366960012 /nfs/dbraw/zinc/96/00/12/366960012.db2.gz FVPQVNUFOQBMFM-OAHLLOKOSA-N 0 3 296.455 2.430 20 70 CEIDHN CC[C@@H](C)OCC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000159992280 366963409 /nfs/dbraw/zinc/96/34/09/366963409.db2.gz SORUKZGCQSWMAG-GDBMZVCRSA-N 0 3 292.423 2.091 20 70 CEIDHN CN(C)CCN(Cc1ccccc1)C(=O)[C@@H]1CCCCO1 ZINC000160185847 366981300 /nfs/dbraw/zinc/98/13/00/366981300.db2.gz BKVUEZLZCLAPTO-INIZCTEOSA-N 0 3 290.407 2.146 20 70 CEIDHN CC(C)(C)c1cnc(CNC(=O)C2(N)CCCCC2)o1 ZINC000160644774 367023400 /nfs/dbraw/zinc/02/34/00/367023400.db2.gz XJCMLYQAKUAPTA-UHFFFAOYSA-N 0 3 279.384 2.250 20 70 CEIDHN CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)c1c(C)noc1C ZINC000160414080 367003281 /nfs/dbraw/zinc/00/32/81/367003281.db2.gz LIBIKWOALPRIJB-OCCSQVGLSA-N 0 3 281.400 2.445 20 70 CEIDHN CC1(C)[C@H]2OCCC[C@H]2[C@@]1(N)C(=O)N1CCC(C)(C)CC1 ZINC000160480743 367009266 /nfs/dbraw/zinc/00/92/66/367009266.db2.gz KJBHOXOIQMGTDK-IIYDPXPESA-N 0 3 294.439 2.168 20 70 CEIDHN COC(CN(C)CCCOc1ccc(F)cc1)OC ZINC000160529652 367013486 /nfs/dbraw/zinc/01/34/86/367013486.db2.gz LYCLZCNDSPQSMP-UHFFFAOYSA-N 0 3 271.332 2.145 20 70 CEIDHN C[C@@H]1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C[C@@H]1C ZINC000160911161 367042911 /nfs/dbraw/zinc/04/29/11/367042911.db2.gz WTLUSCLFTBHSRF-XKSGDERDSA-N 0 3 294.439 2.023 20 70 CEIDHN CCN1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC000161083663 367055670 /nfs/dbraw/zinc/05/56/70/367055670.db2.gz RIWOHEAJLYLKHD-CQSZACIVSA-N 0 3 275.396 2.419 20 70 CEIDHN COC(CN(C)CCc1ccc(Cl)cc1)OC ZINC000161109660 367058206 /nfs/dbraw/zinc/05/82/06/367058206.db2.gz FOTASUNQGCWARY-UHFFFAOYSA-N 0 3 257.761 2.433 20 70 CEIDHN C[C@@H](O)C(C)(C)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000161155911 367062237 /nfs/dbraw/zinc/06/22/37/367062237.db2.gz BBSXBIYINOAOAM-SECBINFHSA-N 0 3 285.771 2.360 20 70 CEIDHN CC1(O)CCN(CCC(=O)Nc2cccc(F)c2)CC1 ZINC000161198994 367066280 /nfs/dbraw/zinc/06/62/80/367066280.db2.gz ZVPNMBNEVSVVTI-UHFFFAOYSA-N 0 3 280.343 2.001 20 70 CEIDHN CC1(O)CCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000161192761 367067108 /nfs/dbraw/zinc/06/71/08/367067108.db2.gz KOXVYMBCXSOXTD-UHFFFAOYSA-N 0 3 271.364 2.219 20 70 CEIDHN CCN(CC)C(=O)C[C@H](C)NCc1ccc(C)nc1 ZINC000161313546 367077397 /nfs/dbraw/zinc/07/73/97/367077397.db2.gz JRMOGSXKLNLGEE-ZDUSSCGKSA-N 0 3 263.385 2.127 20 70 CEIDHN CS[C@@H](C)CC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000161380993 367082422 /nfs/dbraw/zinc/08/24/22/367082422.db2.gz GGKXNGCFUNEEMQ-OLZOCXBDSA-N 0 3 272.458 2.365 20 70 CEIDHN CCc1ncnc(NC[C@@H]2CCN(C3CC3)C2)c1F ZINC000217970391 370202337 /nfs/dbraw/zinc/20/23/37/370202337.db2.gz NLMJHLWCFBGLKA-JTQLQIEISA-N 0 3 264.348 2.074 20 70 CEIDHN CCC(CC)n1nccc1C(=O)NC[C@H]1CCCN1CC ZINC000160701090 395061632 /nfs/dbraw/zinc/06/16/32/395061632.db2.gz RTQQUFUZIAOVKS-CQSZACIVSA-N 0 3 292.427 2.458 20 70 CEIDHN CC[C@H](N)C(=O)N[C@H](C)[C@H](OC)c1ccc(Cl)cc1 ZINC000161059446 400284322 /nfs/dbraw/zinc/28/43/22/400284322.db2.gz BZNPGPHMFYMPKJ-ICCXJUOJSA-N 0 3 284.787 2.270 20 70 CEIDHN CCCNC(=O)CCNCc1cccc2cc[nH]c21 ZINC000218124195 153302326 /nfs/dbraw/zinc/30/23/26/153302326.db2.gz HPRVZJYWWSSRNI-UHFFFAOYSA-N 0 3 259.353 2.174 20 70 CEIDHN CCO[C@@H]1C[C@H](NC(=O)[C@@H](N)CC(C)C)C12CCCC2 ZINC000159558510 286371316 /nfs/dbraw/zinc/37/13/16/286371316.db2.gz JVNTURLEVSYMMW-MELADBBJSA-N 0 3 282.428 2.214 20 70 CEIDHN COC[C@@H](NCc1ccc(OC(C)C)nc1)C1CC1 ZINC000160109448 162322334 /nfs/dbraw/zinc/32/23/34/162322334.db2.gz ZRFUZCDPDVFYES-CQSZACIVSA-N 0 3 264.369 2.383 20 70 CEIDHN CCN1CCCC[C@@H]1CNC(=O)N(C)Cc1cccn1C ZINC000160103688 162323284 /nfs/dbraw/zinc/32/32/84/162323284.db2.gz QHMWLMIYJJPKFU-CQSZACIVSA-N 0 3 292.427 2.041 20 70 CEIDHN CC(C)C[C@H](N)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000161070677 275597640 /nfs/dbraw/zinc/59/76/40/275597640.db2.gz BSPPDAZMYCADSC-HZSPNIEDSA-N 0 3 252.402 2.445 20 70 CEIDHN C[C@H](N)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000160080460 279393550 /nfs/dbraw/zinc/39/35/50/279393550.db2.gz HCPSNUPVMPMCLJ-QUBYGPBYSA-N 0 3 273.163 2.444 20 70 CEIDHN Cc1c(CNC2CCN(c3ccccc3)CC2)cnn1C ZINC000160764539 525724902 /nfs/dbraw/zinc/72/49/02/525724902.db2.gz VIIZPANRFFILBG-UHFFFAOYSA-N 0 3 284.407 2.487 20 70 CEIDHN c1cc(CCN2CCC[C@@H](c3nnc4n3CCC4)C2)ccn1 ZINC000161398638 526421249 /nfs/dbraw/zinc/42/12/49/526421249.db2.gz ZYZUVBUQCXDCHO-OAHLLOKOSA-N 0 3 297.406 2.041 20 70 CEIDHN CC[C@H](NCCO)c1ccccc1Br ZINC000159724101 529603566 /nfs/dbraw/zinc/60/35/66/529603566.db2.gz HFEZXOFRRNRTEJ-NSHDSACASA-N 0 3 258.159 2.482 20 70 CEIDHN CCCN(CC1CC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160641567 344460240 /nfs/dbraw/zinc/46/02/40/344460240.db2.gz PNNVEMICORUHHA-OAHLLOKOSA-N 0 3 279.428 2.302 20 70 CEIDHN COC(CN(C)[C@@H]1CCCN(Cc2ccccc2)C1)OC ZINC000161357374 232253490 /nfs/dbraw/zinc/25/34/90/232253490.db2.gz CLNBKIRVVPCVRC-MRXNPFEDSA-N 0 3 292.423 2.202 20 70 CEIDHN CCN(CC)C(=O)C[C@H](C)N[C@H](CCO)c1ccccc1 ZINC000161073222 188506107 /nfs/dbraw/zinc/50/61/07/188506107.db2.gz QEVBHVBNDISLHF-GOEBONIOSA-N 0 3 292.423 2.347 20 70 CEIDHN CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(OC)c(OC)c1 ZINC000161369363 188523993 /nfs/dbraw/zinc/52/39/93/188523993.db2.gz JIWPDUMXYAAMOX-ZYHUDNBSSA-N 0 3 280.368 2.008 20 70 CEIDHN CCO[C@H]1C[C@H](NCC(=O)NC(C)(C)C)C12CCCC2 ZINC000159864941 540434363 /nfs/dbraw/zinc/43/43/63/540434363.db2.gz UABPBRDZSCYCHF-STQMWFEESA-N 0 3 282.428 2.229 20 70 CEIDHN CCC(CC)(CNCC(=O)Nc1ccccc1)C(=O)OC ZINC000159666770 366937068 /nfs/dbraw/zinc/93/70/68/366937068.db2.gz HXMULWCTOLOWES-UHFFFAOYSA-N 0 3 292.379 2.194 20 70 CEIDHN CC(C)[C@H](N)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160398302 367002575 /nfs/dbraw/zinc/00/25/75/367002575.db2.gz ZXKYAHSCDBIQEF-ZFWWWQNUSA-N 0 3 278.371 2.200 20 70 CEIDHN CN(C[C@H]1CCCN1C)C(=O)N1CCCCCC1 ZINC000160667676 367024984 /nfs/dbraw/zinc/02/49/84/367024984.db2.gz HYIHIAYANARFCE-CYBMUJFWSA-N 0 3 253.390 2.008 20 70 CEIDHN CCn1c(CNC(C)(C)[C@@H](C)O)nc2ccccc21 ZINC000161152807 367062830 /nfs/dbraw/zinc/06/28/30/367062830.db2.gz IBPZQQZNILGUCA-LLVKDONJSA-N 0 3 261.369 2.305 20 70 CEIDHN CN(CCOc1ccccc1F)CCn1ccnc1 ZINC000161317645 367076995 /nfs/dbraw/zinc/07/69/95/367076995.db2.gz WYNZIOQFFVKOFS-UHFFFAOYSA-N 0 3 263.316 2.033 20 70 CEIDHN CC[C@H](NC[C@H](CO)c1ccccc1)c1cnn(C)c1 ZINC000161416632 367085362 /nfs/dbraw/zinc/08/53/62/367085362.db2.gz LVSNZRRHCWWENS-CVEARBPZSA-N 0 3 273.380 2.237 20 70 CEIDHN O=C(NCc1ccccc1)N1CC[C@H](N2CCCC2)C1 ZINC000217402588 153295750 /nfs/dbraw/zinc/29/57/50/153295750.db2.gz FYVUCPLCMPXLOU-HNNXBMFYSA-N 0 3 273.380 2.066 20 70 CEIDHN CC(=O)NCCCN1CCC[C@H]1c1cccc(C)n1 ZINC000159962049 162320246 /nfs/dbraw/zinc/32/02/46/162320246.db2.gz MDOJXJVWYVZMPC-HNNXBMFYSA-N 0 3 261.369 2.053 20 70 CEIDHN Cc1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)nc1 ZINC000160043292 162321958 /nfs/dbraw/zinc/32/19/58/162321958.db2.gz TZSKBYISZATDDR-CQSZACIVSA-N 0 3 297.406 2.307 20 70 CEIDHN COc1ccc([C@H](C)N[C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160521116 274117585 /nfs/dbraw/zinc/11/75/85/274117585.db2.gz KBHNVRJZZMECLD-FZMZJTMJSA-N 0 3 286.379 2.261 20 70 CEIDHN CC[C@H](C(=O)N1CCOC2(C1)CCCCCC2)N(C)C ZINC000161247447 280667841 /nfs/dbraw/zinc/66/78/41/280667841.db2.gz CAAGYBIUNUFNHK-CQSZACIVSA-N 0 3 282.428 2.278 20 70 CEIDHN CC1(C)C[C@@H](NCc2nccn2CC(F)(F)F)CCO1 ZINC000160581236 297438093 /nfs/dbraw/zinc/43/80/93/297438093.db2.gz AYDWYPNRTQLIPP-JTQLQIEISA-N 0 3 291.317 2.493 20 70 CEIDHN Cc1cc(CN(C)C(=O)c2ccc(CN(C)C)cc2)no1 ZINC000159972806 312636428 /nfs/dbraw/zinc/63/64/28/312636428.db2.gz IBBOCGJDKJVKFZ-UHFFFAOYSA-N 0 3 287.363 2.317 20 70 CEIDHN CCn1cc([C@@H](C)NC[C@H]2CCCCN2CC)cn1 ZINC000161189689 523455542 /nfs/dbraw/zinc/45/55/42/523455542.db2.gz RIMQPLSKJSXPKP-UKRRQHHQSA-N 0 3 264.417 2.428 20 70 CEIDHN CSC[C@@H](CCO)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000160399676 525641711 /nfs/dbraw/zinc/64/17/11/525641711.db2.gz UPYFSEWUCZTTOE-CMPLNLGQSA-N 0 3 283.393 2.180 20 70 CEIDHN CSC[C@H](CCO)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000160399443 525699955 /nfs/dbraw/zinc/69/99/55/525699955.db2.gz UPYFSEWUCZTTOE-JQWIXIFHSA-N 0 3 283.393 2.180 20 70 CEIDHN C[C@@H](O)C(C)(C)NCc1ccc(Br)cn1 ZINC000160607863 525745377 /nfs/dbraw/zinc/74/53/77/525745377.db2.gz QUKKXZUAKHJXBT-MRVPVSSYSA-N 0 3 273.174 2.093 20 70 CEIDHN C[C@@H](O)C[C@H](C)NCc1cncc(Br)c1 ZINC000160594534 525834987 /nfs/dbraw/zinc/83/49/87/525834987.db2.gz CPTSYLLELXLLSF-DTWKUNHWSA-N 0 3 273.174 2.093 20 70 CEIDHN CC[C@@H](NC(=O)NC[C@H]1CCCN(C)C1)c1nccs1 ZINC000159456130 344455160 /nfs/dbraw/zinc/45/51/60/344455160.db2.gz VDGCVKGADNMYOA-VXGBXAGGSA-N 0 3 296.440 2.235 20 70 CEIDHN CC(C)OCCNC[C@H](O)COc1ccc(Cl)cc1 ZINC000160196832 540113489 /nfs/dbraw/zinc/11/34/89/540113489.db2.gz AJNOSVMSWYHYAQ-ZDUSSCGKSA-N 0 3 287.787 2.094 20 70 CEIDHN CCOC(C)(C)CNCc1nn(C)c2ccccc12 ZINC000159376297 540405211 /nfs/dbraw/zinc/40/52/11/540405211.db2.gz CMAGBZASOPBQIM-UHFFFAOYSA-N 0 3 261.369 2.478 20 70 CEIDHN CN(CCCCS(C)(=O)=O)CCCOc1ccccc1 ZINC000161428119 540820292 /nfs/dbraw/zinc/82/02/92/540820292.db2.gz MQFLXGAOFIWVJH-UHFFFAOYSA-N 0 3 299.436 2.212 20 70 CEIDHN Cc1ccc(CN2C[C@H](C(N)=O)CC[C@@H]2C)cc1F ZINC000159684953 366939163 /nfs/dbraw/zinc/93/91/63/366939163.db2.gz IDPYAAWJMGTGCS-WCQYABFASA-N 0 3 264.344 2.220 20 70 CEIDHN NC1(C(=O)Nc2cccc(-c3nc[nH]n3)c2)CCCCC1 ZINC000159504530 366921355 /nfs/dbraw/zinc/92/13/55/366921355.db2.gz GJNNEHLRRFLCHM-UHFFFAOYSA-N 0 3 285.351 2.072 20 70 CEIDHN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)[C@@H](C)N ZINC000159526605 366922648 /nfs/dbraw/zinc/92/26/48/366922648.db2.gz WLVCIRSMXKYTRB-SNVBAGLBSA-N 0 3 277.368 2.265 20 70 CEIDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCCCCCC1 ZINC000160072769 366970449 /nfs/dbraw/zinc/97/04/49/366970449.db2.gz MWBRHOBXGRREOY-VBQJREDUSA-N 0 3 294.439 2.312 20 70 CEIDHN C[C@@H](N)C(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC000160042404 366968746 /nfs/dbraw/zinc/96/87/46/366968746.db2.gz NCHLDJQAAPHNAX-MRVPVSSYSA-N 0 3 272.751 2.220 20 70 CEIDHN NC[C@H]1CCCN1C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000160313267 366993304 /nfs/dbraw/zinc/99/33/04/366993304.db2.gz LLVSYEOOVWPPCT-CYBMUJFWSA-N 0 3 294.782 2.253 20 70 CEIDHN CCC[C@@H](N)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160395292 367002534 /nfs/dbraw/zinc/00/25/34/367002534.db2.gz HRSQCUOTRAQNOA-UKRRQHHQSA-N 0 3 278.371 2.344 20 70 CEIDHN Cc1cccc(C[C@@H](NCC(=O)NC(C)C)C2CC2)c1 ZINC000160994774 367048413 /nfs/dbraw/zinc/04/84/13/367048413.db2.gz VDTXABJSXAANGD-MRXNPFEDSA-N 0 3 274.408 2.430 20 70 CEIDHN CCN1CCC[C@H](NC(=O)c2cnn(CC(C)C)c2C)C1 ZINC000160989736 367048764 /nfs/dbraw/zinc/04/87/64/367048764.db2.gz QIZQLOZUVAOSSU-AWEZNQCLSA-N 0 3 292.427 2.062 20 70 CEIDHN C[C@@H](N)C(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000161065258 367053372 /nfs/dbraw/zinc/05/33/72/367053372.db2.gz QORJFTDQDPSZJB-DGCLKSJQSA-N 0 3 274.389 2.495 20 70 CEIDHN CC(C)[C@H](N)C(=O)NCC(C)(C)Cc1ccccc1 ZINC000161076574 367053812 /nfs/dbraw/zinc/05/38/12/367053812.db2.gz BBTSCGQFVUXHRV-AWEZNQCLSA-N 0 3 262.397 2.355 20 70 CEIDHN C[C@H](CNC(=O)[C@@H]1CCCCN1)Oc1ccc(Cl)cc1 ZINC000161135904 367060792 /nfs/dbraw/zinc/06/07/92/367060792.db2.gz VHCOBVOXGJDIDK-RISCZKNCSA-N 0 3 296.798 2.366 20 70 CEIDHN CSC[C@](C)(O)CNCc1c[nH]nc1-c1ccccc1 ZINC000217850991 370200841 /nfs/dbraw/zinc/20/08/41/370200841.db2.gz UTSFRJFUCOCVBZ-OAHLLOKOSA-N 0 3 291.420 2.280 20 70 CEIDHN CC(C)N(C)CC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000160525186 395061047 /nfs/dbraw/zinc/06/10/47/395061047.db2.gz UXFQFUWQJHZDDU-AWEZNQCLSA-N 0 3 282.428 2.325 20 70 CEIDHN CCC[C@]1(C)CCCN(C(=O)[C@H](N)CCSC)C1 ZINC000160934624 395061778 /nfs/dbraw/zinc/06/17/78/395061778.db2.gz KNZIXNQFWHPHJM-TZMCWYRMSA-N 0 3 272.458 2.496 20 70 CEIDHN CC(C)[C@@H](N)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000160906791 395061937 /nfs/dbraw/zinc/06/19/37/395061937.db2.gz IZLIKUGGPGELMD-BPLDGKMQSA-N 0 3 260.381 2.374 20 70 CEIDHN Cc1nc(CNC(C)(C)CN(C)Cc2ccccc2)no1 ZINC000161052541 400283870 /nfs/dbraw/zinc/28/38/70/400283870.db2.gz VBZSUAUZCIHUGB-UHFFFAOYSA-N 0 3 288.395 2.378 20 70 CEIDHN CC(C)(C)NC(=O)CNCc1cccc2cc[nH]c21 ZINC000218091306 153301716 /nfs/dbraw/zinc/30/17/16/153301716.db2.gz ZIBVTHBPSZUSPN-UHFFFAOYSA-N 0 3 259.353 2.172 20 70 CEIDHN COC(=O)CCCN1CCC[C@@H]1c1cccc(C)n1 ZINC000160060890 162323000 /nfs/dbraw/zinc/32/30/00/162323000.db2.gz YVBHWLWHXUZXEL-CQSZACIVSA-N 0 3 262.353 2.480 20 70 CEIDHN CC[C@H](C(=O)NCCCc1ccc(OC)cc1)N(C)C ZINC000159862023 276543036 /nfs/dbraw/zinc/54/30/36/276543036.db2.gz RJNXNTFEGLQOOQ-OAHLLOKOSA-N 0 3 278.396 2.084 20 70 CEIDHN CC[C@@H](C(=O)NCCc1csc(C(C)(C)C)n1)N(C)C ZINC000160629830 297439363 /nfs/dbraw/zinc/43/93/63/297439363.db2.gz KUVGOGPEIYBGDG-LBPRGKRZSA-N 0 3 297.468 2.440 20 70 CEIDHN O=C(NC1CCN(C2CC2)CC1)c1c(F)cc(F)cc1F ZINC000159366790 188422957 /nfs/dbraw/zinc/42/29/57/188422957.db2.gz HYYLMWKCIALUOZ-UHFFFAOYSA-N 0 3 298.308 2.461 20 70 CEIDHN CC[C@@H]1CCCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000160185490 188459486 /nfs/dbraw/zinc/45/94/86/188459486.db2.gz YTUXSXIGAWGFND-VWPFQQQWSA-N 0 3 294.439 2.168 20 70 CEIDHN C[C@@H](CNC(=O)c1ccc2c(c1)CCCN2)N1CCCC1 ZINC000161041468 540131999 /nfs/dbraw/zinc/13/19/99/540131999.db2.gz IDEOBDWQTYRYLH-ZDUSSCGKSA-N 0 3 287.407 2.259 20 70 CEIDHN CCCOc1cccc(CCNC(=O)CN(CC)CC)c1 ZINC000159722281 366943168 /nfs/dbraw/zinc/94/31/68/366943168.db2.gz JEGUQCSEYQCFOJ-UHFFFAOYSA-N 0 3 292.423 2.476 20 70 CEIDHN OCCN[C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000159723412 366943212 /nfs/dbraw/zinc/94/32/12/366943212.db2.gz NBFHJFWWJNAVRF-NSHDSACASA-N 0 3 261.243 2.154 20 70 CEIDHN CC(C)[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000159723171 366943282 /nfs/dbraw/zinc/94/32/82/366943282.db2.gz KDZGNNJRSBJNQY-RBSFLKMASA-N 0 3 260.381 2.422 20 70 CEIDHN CC(C)[C@@H](N)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000159723418 366943442 /nfs/dbraw/zinc/94/34/42/366943442.db2.gz KDZGNNJRSBJNQY-QLFBSQMISA-N 0 3 260.381 2.422 20 70 CEIDHN Cc1nc(Cl)ccc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000159448022 366915410 /nfs/dbraw/zinc/91/54/10/366915410.db2.gz TXRJTWUTLMWFRJ-NEPJUHHUSA-N 0 3 293.798 2.352 20 70 CEIDHN C[C@@H](N)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159808574 366948867 /nfs/dbraw/zinc/94/88/67/366948867.db2.gz CTAGOSLSSROZLE-KOLCDFICSA-N 0 3 252.745 2.003 20 70 CEIDHN COC(=O)c1ccc(CN(C)C[C@H]2CCC[C@@H]2O)s1 ZINC000159859591 366954385 /nfs/dbraw/zinc/95/43/85/366954385.db2.gz ONWZSCDCZYTFLU-PWSUYJOCSA-N 0 3 283.393 2.128 20 70 CEIDHN CCn1nccc1CNC[C@H](O)c1ccc(Cl)cc1 ZINC000159920378 366959013 /nfs/dbraw/zinc/95/90/13/366959013.db2.gz GCQGDBMTBGOCSQ-AWEZNQCLSA-N 0 3 279.771 2.380 20 70 CEIDHN C[C@H]1C[C@H](NC(=O)N(C)C2CC2)CN1Cc1ccccc1 ZINC000159962147 366962453 /nfs/dbraw/zinc/96/24/53/366962453.db2.gz BDNFINFDALDPFV-ZFWWWQNUSA-N 0 3 287.407 2.453 20 70 CEIDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC1CCCCCC1 ZINC000160091053 366971784 /nfs/dbraw/zinc/97/17/84/366971784.db2.gz RDFHUXZHPKBTPF-VBQJREDUSA-N 0 3 294.439 2.358 20 70 CEIDHN CC[C@H](C(=O)NC[C@H](C)Cc1cccs1)N(C)C ZINC000160178142 366979256 /nfs/dbraw/zinc/97/92/56/366979256.db2.gz CWLHBPDRZDFKIU-DGCLKSJQSA-N 0 3 268.426 2.383 20 70 CEIDHN C[C@@H](CN1CCCCC1)NC(=O)N1CCC2(CCC2)C1 ZINC000160303901 366992449 /nfs/dbraw/zinc/99/24/49/366992449.db2.gz ZJBREXDJAFFKCY-AWEZNQCLSA-N 0 3 279.428 2.446 20 70 CEIDHN CN(C)C[C@H]1CCCN1C(=O)NC1CCCCC1 ZINC000160528148 367013833 /nfs/dbraw/zinc/01/38/33/367013833.db2.gz PVSAVDGHHQEJKL-CYBMUJFWSA-N 0 3 253.390 2.055 20 70 CEIDHN CN(C)C1(CNc2ccc(S(C)(=O)=O)cc2)CCCC1 ZINC000161043598 367051419 /nfs/dbraw/zinc/05/14/19/367051419.db2.gz SIIPDRFNWMRASZ-UHFFFAOYSA-N 0 3 296.436 2.376 20 70 CEIDHN C[C@@H](CNC(=O)[C@H]1CCCCN1)Oc1ccc(Cl)cc1 ZINC000161133611 367060830 /nfs/dbraw/zinc/06/08/30/367060830.db2.gz VHCOBVOXGJDIDK-SMDDNHRTSA-N 0 3 296.798 2.366 20 70 CEIDHN C[C@@H]1CN(C(=O)C2(N)CC2)CC[C@H]1c1ccccc1 ZINC000161231361 367070609 /nfs/dbraw/zinc/07/06/09/367070609.db2.gz QMIANWNUSOQNAA-TZMCWYRMSA-N 0 3 258.365 2.130 20 70 CEIDHN Cc1ccc(CN(C)CCN2CCOCC2)c(C)c1 ZINC000161269991 367072709 /nfs/dbraw/zinc/07/27/09/367072709.db2.gz CZHRHGXQOZSDQL-UHFFFAOYSA-N 0 3 262.397 2.067 20 70 CEIDHN Cc1c(C(=O)NC[C@H](C)N(C)C2CC2)cnn1CC(C)C ZINC000161312657 367076590 /nfs/dbraw/zinc/07/65/90/367076590.db2.gz XKTBCSUSIMBIKB-LBPRGKRZSA-N 0 3 292.427 2.060 20 70 CEIDHN COCC[C@H](C)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000160766961 367033126 /nfs/dbraw/zinc/03/31/26/367033126.db2.gz KVFJGARKQWBIGI-GOEBONIOSA-N 0 3 290.407 2.365 20 70 CEIDHN CC(C)C[C@H](N)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000161070917 395063712 /nfs/dbraw/zinc/06/37/12/395063712.db2.gz BSPPDAZMYCADSC-MELADBBJSA-N 0 3 252.402 2.445 20 70 CEIDHN CC[C@H](N)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000161247244 395063809 /nfs/dbraw/zinc/06/38/09/395063809.db2.gz DXMDUMIERUDBIF-SUHUHFCYSA-N 0 3 264.344 2.267 20 70 CEIDHN CCOCCC1(CNC(=O)[C@H](CC)N(C)C)CCC1 ZINC000160301319 297434567 /nfs/dbraw/zinc/43/45/67/297434567.db2.gz YOSRTAPAGUFLDU-ZDUSSCGKSA-N 0 3 270.417 2.040 20 70 CEIDHN CCc1ncnc(N[C@H]2CCN(C)[C@@H](C)C2)c1F ZINC000218039029 153297544 /nfs/dbraw/zinc/29/75/44/153297544.db2.gz IMPZVTOFUFZTKB-UWVGGRQHSA-N 0 3 252.337 2.073 20 70 CEIDHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cnc(C2CCC2)s1 ZINC000159678984 162310074 /nfs/dbraw/zinc/31/00/74/162310074.db2.gz YCOFBCKPILCOTB-CMPLNLGQSA-N 0 3 293.436 2.496 20 70 CEIDHN N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCc2ccccc21 ZINC000159727925 162312390 /nfs/dbraw/zinc/31/23/90/162312390.db2.gz SCNLZMJOQXBCNA-AEFFLSMTSA-N 0 3 294.398 2.403 20 70 CEIDHN CCCN(CCC)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000159979546 162319238 /nfs/dbraw/zinc/31/92/38/162319238.db2.gz KBTPLBWOSQAKFF-DVOMOZLQSA-N 0 3 282.428 2.168 20 70 CEIDHN CC(C)[C@H](C)NC(=O)C1CCN(CCOCC2CC2)CC1 ZINC000159962952 162319782 /nfs/dbraw/zinc/31/97/82/162319782.db2.gz LKNLLMYWUSSJEM-AWEZNQCLSA-N 0 3 296.455 2.286 20 70 CEIDHN Cc1ccc(OCCN(C)C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC000160095707 162323055 /nfs/dbraw/zinc/32/30/55/162323055.db2.gz VDQWXTRLQDCGDC-MRXNPFEDSA-N 0 3 292.423 2.418 20 70 CEIDHN Cc1cccc([C@H](C)NC[C@H](O)COCC2CC2)c1 ZINC000160245030 162326457 /nfs/dbraw/zinc/32/64/57/162326457.db2.gz YWUFRVLIGQUHIZ-BBRMVZONSA-N 0 3 263.381 2.433 20 70 CEIDHN CC[C@@H](C(=O)N[C@@H]1CCC[C@H](C2CC2)C1)N(C)C ZINC000160229703 270238396 /nfs/dbraw/zinc/23/83/96/270238396.db2.gz DUDSWEYFAVIRCM-MJBXVCDLSA-N 0 3 252.402 2.412 20 70 CEIDHN CCN1CCCN(C(=O)N[C@@H]2CCCc3occc32)CC1 ZINC000159662229 276162073 /nfs/dbraw/zinc/16/20/73/276162073.db2.gz JAJVLNHACQJTBE-CQSZACIVSA-N 0 3 291.395 2.394 20 70 CEIDHN CCN1CCCN(C(=O)NC2CCCCCC2)CC1 ZINC000159513508 279284617 /nfs/dbraw/zinc/28/46/17/279284617.db2.gz YLZZIKPAMUPZQT-UHFFFAOYSA-N 0 3 267.417 2.446 20 70 CEIDHN CCC(CC)CNC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000160565106 521528663 /nfs/dbraw/zinc/52/86/63/521528663.db2.gz MNBJHJGRSVHQNK-CQSZACIVSA-N 0 3 267.417 2.302 20 70 CEIDHN COc1ccc([C@@H](C)N[C@H](CCO)CSC)c(OC)c1 ZINC000160354427 525162229 /nfs/dbraw/zinc/16/22/29/525162229.db2.gz NDHPHHMQQUXRGM-VXGBXAGGSA-N 0 3 299.436 2.468 20 70 CEIDHN CCN(CCCS(=O)(=O)C(C)C)C1CCCC1 ZINC000160871420 528470208 /nfs/dbraw/zinc/47/02/08/528470208.db2.gz MHEDXGLHRZMJGS-UHFFFAOYSA-N 0 3 261.431 2.464 20 70 CEIDHN Cc1nc2n(n1)C[C@@H](N[C@@H]1CCCOc3ccccc31)CC2 ZINC000160477089 282117912 /nfs/dbraw/zinc/11/79/12/282117912.db2.gz HLCWTSLPKNMQLS-DZGCQCFKSA-N 0 3 298.390 2.405 20 70 CEIDHN Nc1ccc2nc(N3CCN4CCC3CC4)sc2c1 ZINC000216747584 539212345 /nfs/dbraw/zinc/21/23/45/539212345.db2.gz WBHRCUIFIGNHLI-UHFFFAOYSA-N 0 3 274.393 2.163 20 70 CEIDHN C[C@H](CC(=O)NC[C@@H](C)N(C)C1CC1)c1ccncc1 ZINC000159916743 540439612 /nfs/dbraw/zinc/43/96/12/540439612.db2.gz RWGUBSDWRBJXLM-CHWSQXEVSA-N 0 3 275.396 2.174 20 70 CEIDHN CCN(CCN[C@@H](C)c1cnn(C)c1)C(=O)OC(C)(C)C ZINC000159461728 366915761 /nfs/dbraw/zinc/91/57/61/366915761.db2.gz NFJDGTUXZIIELT-LBPRGKRZSA-N 0 3 296.415 2.328 20 70 CEIDHN CC[C@H](N)C(=O)NCc1ccc(Br)cc1C ZINC000159545314 366923538 /nfs/dbraw/zinc/92/35/38/366923538.db2.gz AFUYVTNPCXICKZ-NSHDSACASA-N 0 3 285.185 2.111 20 70 CEIDHN Cc1cccc2c(CCNC(=O)[C@@H]3CCCCN3)c[nH]c21 ZINC000159559120 366925254 /nfs/dbraw/zinc/92/52/54/366925254.db2.gz XLLCHVZPZSEPFQ-HNNXBMFYSA-N 0 3 285.391 2.277 20 70 CEIDHN Cc1ccsc1[C@H]1C[C@H]1C(=O)NC1CCN(C)CC1 ZINC000159854965 366953191 /nfs/dbraw/zinc/95/31/91/366953191.db2.gz PIHXKICUNNEOEX-QWHCGFSZSA-N 0 3 278.421 2.370 20 70 CEIDHN CCCCN(C)CCNC(=O)N[C@H](C)CC(C)C ZINC000159836309 366953600 /nfs/dbraw/zinc/95/36/00/366953600.db2.gz QCYDTIJUXWAPSU-CYBMUJFWSA-N 0 3 257.422 2.452 20 70 CEIDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC1(C)C ZINC000159993003 366964348 /nfs/dbraw/zinc/96/43/48/366964348.db2.gz CVYOKAPUNWGDHQ-GJZGRUSLSA-N 0 3 274.408 2.322 20 70 CEIDHN CC1(C)CC[C@H](CNCc2ccc(S(C)(=O)=O)cc2)O1 ZINC000160266289 366987989 /nfs/dbraw/zinc/98/79/89/366987989.db2.gz JNSPMDCVTMZHEH-CYBMUJFWSA-N 0 3 297.420 2.137 20 70 CEIDHN CC(C)[C@H](N)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000160575419 367018078 /nfs/dbraw/zinc/01/80/78/367018078.db2.gz SYIJGKZCLJPHNO-WFASDCNBSA-N 0 3 286.379 2.033 20 70 CEIDHN COc1ccc([C@H](C)[C@H](C)NCC(=O)NC(C)C)cc1 ZINC000160971897 367047152 /nfs/dbraw/zinc/04/71/52/367047152.db2.gz JRCCPBIXRKPTKY-OLZOCXBDSA-N 0 3 278.396 2.301 20 70 CEIDHN C[C@H](O)C(C)(C)NCc1cnn(Cc2ccccc2)c1 ZINC000161118397 367059643 /nfs/dbraw/zinc/05/96/43/367059643.db2.gz GTJINMKFLPPNIR-ZDUSSCGKSA-N 0 3 273.380 2.180 20 70 CEIDHN CCN1CCCC[C@@H]1CNC(=O)NC1(C)CCC1 ZINC000161134163 367060845 /nfs/dbraw/zinc/06/08/45/367060845.db2.gz HNTUTKCSIUMYNL-GFCCVEGCSA-N 0 3 253.390 2.103 20 70 CEIDHN CCN(C)CCNC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000161136880 367060921 /nfs/dbraw/zinc/06/09/21/367060921.db2.gz COXYVJIHGXELMO-HNNXBMFYSA-N 0 3 293.386 2.454 20 70 CEIDHN CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2)C12CCCCC2 ZINC000161178882 367065183 /nfs/dbraw/zinc/06/51/83/367065183.db2.gz QUVITEUWDLJNCO-RRFJBIMHSA-N 0 3 294.439 2.373 20 70 CEIDHN COC(CN1CC[C@@H](COCc2ccccc2)C1)OC ZINC000161279691 367074673 /nfs/dbraw/zinc/07/46/73/367074673.db2.gz LEIGJFQGRBFVCH-OAHLLOKOSA-N 0 3 279.380 2.144 20 70 CEIDHN CO[C@H](CNC(=O)[C@@H]1CCCCN1)c1cccc(Cl)c1 ZINC000161410079 367083213 /nfs/dbraw/zinc/08/32/13/367083213.db2.gz OHKQQWBQLIGDSK-UONOGXRCSA-N 0 3 296.798 2.286 20 70 CEIDHN COc1ccc(OC)c(CCN[C@@H](C)c2cnn(C)c2)c1 ZINC000161417670 367084980 /nfs/dbraw/zinc/08/49/80/367084980.db2.gz MKADMQQPFRIYAQ-LBPRGKRZSA-N 0 3 289.379 2.331 20 70 CEIDHN CCN(CCn1ccnc1)Cc1ccc(OC)cc1 ZINC000161423509 367085296 /nfs/dbraw/zinc/08/52/96/367085296.db2.gz SHDYRPHMPDGGAB-UHFFFAOYSA-N 0 3 259.353 2.414 20 70 CEIDHN CC[C@H](C(=O)NCc1nc(C(C)C)cs1)N(C)C ZINC000161444334 367088128 /nfs/dbraw/zinc/08/81/28/367088128.db2.gz DASWWBXLCVVFJX-LLVKDONJSA-N 0 3 269.414 2.223 20 70 CEIDHN c1cc(CNC2CCN(c3ccccc3)CC2)n[nH]1 ZINC000218127480 370205469 /nfs/dbraw/zinc/20/54/69/370205469.db2.gz CLKXTWGNGOHZRW-UHFFFAOYSA-N 0 3 256.353 2.168 20 70 CEIDHN Cc1cccc([C@@H]2CCCN2CC[C@@H]2CCOC2=O)n1 ZINC000160145296 395059743 /nfs/dbraw/zinc/05/97/43/395059743.db2.gz ULKQGNZOPHNSMK-HIFRSBDPSA-N 0 3 274.364 2.480 20 70 CEIDHN CC[C@H](C(=O)NCCc1nc2c(s1)CCCC2)N(C)C ZINC000160899114 395062125 /nfs/dbraw/zinc/06/21/25/395062125.db2.gz OHLQXEQQNVPVLQ-GFCCVEGCSA-N 0 3 295.452 2.021 20 70 CEIDHN C[C@H](CN1CCOCC1)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000218010868 153296989 /nfs/dbraw/zinc/29/69/89/153296989.db2.gz NXJSXNKVJKGYKV-GUTXKFCHSA-N 0 3 278.396 2.213 20 70 CEIDHN C[C@H](N)C(=O)N[C@@H](COc1ccccc1F)C(C)(C)C ZINC000159772521 162313490 /nfs/dbraw/zinc/31/34/90/162313490.db2.gz YIAHBILBEHKJCI-GWCFXTLKSA-N 0 3 282.359 2.083 20 70 CEIDHN CC1(C)CC[C@H](CNCc2cccc3c2OCO3)O1 ZINC000160234390 162325967 /nfs/dbraw/zinc/32/59/67/162325967.db2.gz GRZVEVRDJLLPRL-GFCCVEGCSA-N 0 3 263.337 2.463 20 70 CEIDHN CCOc1cc(N2CCC[C@H]2CN2CCCCC2)ncn1 ZINC000160427957 276370357 /nfs/dbraw/zinc/37/03/57/276370357.db2.gz VPIYYAOEQNRYBO-AWEZNQCLSA-N 0 3 290.411 2.330 20 70 CEIDHN CC1CCN(C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000160557105 278534122 /nfs/dbraw/zinc/53/41/22/278534122.db2.gz AVVLUCJFCARITE-CQSZACIVSA-N 0 3 265.401 2.008 20 70 CEIDHN CC(C)CCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160295785 278753671 /nfs/dbraw/zinc/75/36/71/278753671.db2.gz PQEHGXCNBRPZJI-DVOMOZLQSA-N 0 3 282.428 2.071 20 70 CEIDHN CC[C@@H](NCCC(C)(C)O)c1c(C)nn(C)c1C ZINC000159718561 297430450 /nfs/dbraw/zinc/43/04/50/297430450.db2.gz QTGPFIYEBBDGND-GFCCVEGCSA-N 0 3 253.390 2.239 20 70 CEIDHN CCCN1CCCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC000160381951 519849439 /nfs/dbraw/zinc/84/94/39/519849439.db2.gz LVMMEANFMYBCGZ-CQSZACIVSA-N 0 3 250.386 2.287 20 70 CEIDHN CCOC[C@H]1CCN(Cc2cnc3ccccn23)C1 ZINC000160944052 520180025 /nfs/dbraw/zinc/18/00/25/520180025.db2.gz VUQGYSOXYCVYPS-ZDUSSCGKSA-N 0 3 259.353 2.193 20 70 CEIDHN C[C@H](C(=O)NC[C@@H]1CCCN(C)C1)c1ccsc1 ZINC000159516530 344454876 /nfs/dbraw/zinc/45/48/76/344454876.db2.gz VEETXBAZOSTRQT-RYUDHWBXSA-N 0 3 266.410 2.310 20 70 CEIDHN C[C@H](C(=O)NC[C@@H]1CCCN1C)c1ccsc1 ZINC000160136566 344457530 /nfs/dbraw/zinc/45/75/30/344457530.db2.gz QAMLWDLRSIWDFX-JQWIXIFHSA-N 0 3 252.383 2.062 20 70 CEIDHN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)[C@@H]1CCCCN1 ZINC000159379821 232246890 /nfs/dbraw/zinc/24/68/90/232246890.db2.gz NSBSZHZJMAJVHP-JIMOISOXSA-N 0 3 280.318 2.079 20 70 CEIDHN COCCN(C)CCN[C@@H]1CCCOc2ccc(C)cc21 ZINC000159369348 366905931 /nfs/dbraw/zinc/90/59/31/366905931.db2.gz BYHPUWDDSYONJC-MRXNPFEDSA-N 0 3 292.423 2.377 20 70 CEIDHN CCN(CCOC[C@H]1CCCO1)CCc1nccs1 ZINC000159427032 366912308 /nfs/dbraw/zinc/91/23/08/366912308.db2.gz DCPZQPBBTADQSS-CYBMUJFWSA-N 0 3 284.425 2.203 20 70 CEIDHN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)C2(N)CC2)cc1 ZINC000159529710 366923081 /nfs/dbraw/zinc/92/30/81/366923081.db2.gz UNVXYUNZDXCANW-CABCVRRESA-N 0 3 288.391 2.070 20 70 CEIDHN C[C@@H]1CC[C@H](C(N)=O)CN1CC1=Cc2ccccc2OC1 ZINC000159600280 366931494 /nfs/dbraw/zinc/93/14/94/366931494.db2.gz NDZIKFJLCWITNF-DOMZBBRYSA-N 0 3 286.375 2.048 20 70 CEIDHN CC(C)C[C@H](C)NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000159798215 366948952 /nfs/dbraw/zinc/94/89/52/366948952.db2.gz QGZZLIUXUWTJIU-STQMWFEESA-N 0 3 255.406 2.062 20 70 CEIDHN Cc1ccc(F)c(OCC(=O)N(C)[C@H]2CCCN(C)C2)c1 ZINC000159918727 366959123 /nfs/dbraw/zinc/95/91/23/366959123.db2.gz SAHWXDRVKDTNFP-ZDUSSCGKSA-N 0 3 294.370 2.066 20 70 CEIDHN CC(C)(N)C(=O)N1CCc2ccc(Br)cc21 ZINC000159991327 366963507 /nfs/dbraw/zinc/96/35/07/366963507.db2.gz AIEXHDQCHNGEMA-UHFFFAOYSA-N 0 3 283.169 2.076 20 70 CEIDHN COC(=O)c1ccc(CN2C[C@H]3CCC[C@@H]3C2)nc1 ZINC000159991224 366964110 /nfs/dbraw/zinc/96/41/10/366964110.db2.gz PUMLLDGHCLZRSJ-CHWSQXEVSA-N 0 3 260.337 2.100 20 70 CEIDHN C[C@@H]1C[C@H](C)CN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000160030515 366966872 /nfs/dbraw/zinc/96/68/72/366966872.db2.gz LNFCCTNKHGYIEX-XKSGDERDSA-N 0 3 294.439 2.023 20 70 CEIDHN CCN(CC)C(=O)C[C@@H](C)NC[C@@](C)(O)c1ccsc1 ZINC000160081516 366971747 /nfs/dbraw/zinc/97/17/47/366971747.db2.gz VUGMLXSFJORBMQ-IUODEOHRSA-N 0 3 298.452 2.192 20 70 CEIDHN CCN(CCNC(=O)c1cnn(CC(C)C)c1C)C1CC1 ZINC000160148709 366976597 /nfs/dbraw/zinc/97/65/97/366976597.db2.gz OKLSMRXWNMGAPL-UHFFFAOYSA-N 0 3 292.427 2.062 20 70 CEIDHN CCCN(CC1CC1)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160189211 366981480 /nfs/dbraw/zinc/98/14/80/366981480.db2.gz NSLMXRXHXGZPPV-JKIFEVAISA-N 0 3 294.439 2.168 20 70 CEIDHN Cc1noc(Cl)c1CC(=O)NCCN1CCC[C@@H](C)C1 ZINC000160258161 366987885 /nfs/dbraw/zinc/98/78/85/366987885.db2.gz ZEYZHRKQAGLIHR-SNVBAGLBSA-N 0 3 299.802 2.027 20 70 CEIDHN CNC(=O)[C@H](C)NCc1ccc(Cl)c2cccnc12 ZINC000160318546 366994743 /nfs/dbraw/zinc/99/47/43/366994743.db2.gz WYOQUDSPRKAQOB-VIFPVBQESA-N 0 3 277.755 2.112 20 70 CEIDHN CCc1ccc([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)o1 ZINC000160576187 367019625 /nfs/dbraw/zinc/01/96/25/367019625.db2.gz CLQWFXOEXMIDRM-ZYHUDNBSSA-N 0 3 274.368 2.408 20 70 CEIDHN CN(C(=O)NC1CCCCC1)[C@H]1CCCN(C)C1 ZINC000160515272 367012518 /nfs/dbraw/zinc/01/25/18/367012518.db2.gz TYCHKNVNIJNUDF-ZDUSSCGKSA-N 0 3 253.390 2.055 20 70 CEIDHN CC1(C)CC[C@@H](CN(CCO)Cc2ccccc2)O1 ZINC000160833165 367037220 /nfs/dbraw/zinc/03/72/20/367037220.db2.gz VRLXOPGHPICXFU-HNNXBMFYSA-N 0 3 263.381 2.439 20 70 CEIDHN Cc1ccnc(-c2ccc(NC(=O)[C@@H](N)C(C)C)cc2)n1 ZINC000160878950 367039551 /nfs/dbraw/zinc/03/95/51/367039551.db2.gz ZQMZDACOWSSGLV-AWEZNQCLSA-N 0 3 284.363 2.374 20 70 CEIDHN C[C@H](N)C(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000161045278 367050801 /nfs/dbraw/zinc/05/08/01/367050801.db2.gz IERQDIZGOLEQPV-OUJBWJOFSA-N 0 3 250.317 2.082 20 70 CEIDHN CC[C@H](N)C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000161044632 367050997 /nfs/dbraw/zinc/05/09/97/367050997.db2.gz HAMVMVCGKUZEIX-DDTOSNHZSA-N 0 3 264.344 2.473 20 70 CEIDHN CCCN(C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000161078966 367055079 /nfs/dbraw/zinc/05/50/79/367055079.db2.gz RNSYNXXJYCVMRW-ZIAGYGMSSA-N 0 3 271.426 2.242 20 70 CEIDHN C[C@@H](NCC(C)(C)O)c1ccc(F)cc1N(C)C ZINC000160638931 296116919 /nfs/dbraw/zinc/11/69/19/296116919.db2.gz AMQRMSIOBGPICA-SNVBAGLBSA-N 0 3 254.349 2.313 20 70 CEIDHN CSC[C@@](C)(O)CNCc1c[nH]nc1-c1ccc(C)o1 ZINC000217844090 153296149 /nfs/dbraw/zinc/29/61/49/153296149.db2.gz AFZYOMMZCYZVKG-AWEZNQCLSA-N 0 3 295.408 2.182 20 70 CEIDHN Cc1cccc([C@H]2CCCN2CCC(=O)NC(C)C)n1 ZINC000159853065 162317225 /nfs/dbraw/zinc/31/72/25/162317225.db2.gz FOIRUOCOVCNCQU-OAHLLOKOSA-N 0 3 275.396 2.442 20 70 CEIDHN CC(C)[C@@H](C)NC(=O)C1CCN(CCOCC2CC2)CC1 ZINC000159962825 162318722 /nfs/dbraw/zinc/31/87/22/162318722.db2.gz LKNLLMYWUSSJEM-CQSZACIVSA-N 0 3 296.455 2.286 20 70 CEIDHN CC(C)[C@H](C(=O)N(C)CCOc1ccc(F)cc1)N(C)C ZINC000160091810 162323970 /nfs/dbraw/zinc/32/39/70/162323970.db2.gz ZHAXBIHIHJDVQZ-OAHLLOKOSA-N 0 3 296.386 2.249 20 70 CEIDHN C[C@H](NCCOc1ccc(F)cc1F)c1cnn(C)c1 ZINC000160079701 162324343 /nfs/dbraw/zinc/32/43/43/162324343.db2.gz ZUBYCQWZMCCGNS-JTQLQIEISA-N 0 3 281.306 2.428 20 70 CEIDHN CCCCOCCCNC(=O)c1ccc2c(c1)CNC2 ZINC000160297842 165033376 /nfs/dbraw/zinc/03/33/76/165033376.db2.gz OOSBNVHHCNJAEI-UHFFFAOYSA-N 0 3 276.380 2.226 20 70 CEIDHN O=C(NC1CCN(C2CC2)CC1)N1CCC2(CCC2)C1 ZINC000159730711 279825468 /nfs/dbraw/zinc/82/54/68/279825468.db2.gz JYEOBWGTXLQDSY-UHFFFAOYSA-N 0 3 277.412 2.199 20 70 CEIDHN C[C@@H](NCCN(C)Cc1ccc(F)cc1)c1cnn(C)c1 ZINC000160123195 280095544 /nfs/dbraw/zinc/09/55/44/280095544.db2.gz WPQSXJOHHGNTNW-CYBMUJFWSA-N 0 3 290.386 2.342 20 70 CEIDHN c1c[nH]c(CNC2CCN(c3ccccc3)CC2)n1 ZINC000218236295 280464029 /nfs/dbraw/zinc/46/40/29/280464029.db2.gz LCQMVUPANRIUFM-UHFFFAOYSA-N 0 3 256.353 2.168 20 70 CEIDHN CCCNC(=O)c1cccc(CN[C@H](COC)C2CC2)c1 ZINC000160646966 519903485 /nfs/dbraw/zinc/90/34/85/519903485.db2.gz HINSQKAQRRNOCT-MRXNPFEDSA-N 0 3 290.407 2.341 20 70 CEIDHN CC[C@H](C)c1cc(C(=O)NC[C@@H]2CCN(C3CC3)C2)on1 ZINC000161341158 522030742 /nfs/dbraw/zinc/03/07/42/522030742.db2.gz LURNNPUCNBICDB-RYUDHWBXSA-N 0 3 291.395 2.402 20 70 CEIDHN CCC(CC)CNC(=O)N(C)CCN1CCCC1 ZINC000160559262 344459396 /nfs/dbraw/zinc/45/93/96/344459396.db2.gz LQFPJSAITKCATL-UHFFFAOYSA-N 0 3 255.406 2.160 20 70 CEIDHN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C2(N)CC2)cc1 ZINC000159529473 366923054 /nfs/dbraw/zinc/92/30/54/366923054.db2.gz UNVXYUNZDXCANW-GJZGRUSLSA-N 0 3 288.391 2.070 20 70 CEIDHN CCC[C@H](N)C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000159591987 366930008 /nfs/dbraw/zinc/93/00/08/366930008.db2.gz XOSIMPIGZODFMZ-JSGCOSHPSA-N 0 3 286.379 2.177 20 70 CEIDHN CCC[C@H](CC)NC(=O)N1CCCN(CC)CC1 ZINC000159777155 366948236 /nfs/dbraw/zinc/94/82/36/366948236.db2.gz HUOGIMWHWAPOJG-ZDUSSCGKSA-N 0 3 255.406 2.302 20 70 CEIDHN Cc1cc(C)cc(-c2nnc(NC(=O)[C@@H](C)N)s2)c1 ZINC000160116337 366975070 /nfs/dbraw/zinc/97/50/70/366975070.db2.gz ORZSSQOKWGQCMF-SECBINFHSA-N 0 3 276.365 2.108 20 70 CEIDHN COc1ccccc1[C@@H]1CCN(C(=O)[C@H]2CCCCN2)C1 ZINC000160375349 367001194 /nfs/dbraw/zinc/00/11/94/367001194.db2.gz PKJYVQPOWNPANX-UKRRQHHQSA-N 0 3 288.391 2.153 20 70 CEIDHN COc1cc(C)nc(CN2CCC[C@@H]2C[C@@H](C)O)c1 ZINC000160428139 367004989 /nfs/dbraw/zinc/00/49/89/367004989.db2.gz BMNOGAOIWPIXAD-TZMCWYRMSA-N 0 3 264.369 2.134 20 70 CEIDHN CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](C)Oc1cccc(C)c1 ZINC000161168262 367063431 /nfs/dbraw/zinc/06/34/31/367063431.db2.gz LWWYQTYHDLOXCZ-GZBFAFLISA-N 0 3 278.396 2.252 20 70 CEIDHN Cc1ccc2c(CN3CCC(C)(O)CC3)cc(=O)oc2c1 ZINC000161212698 367068056 /nfs/dbraw/zinc/06/80/56/367068056.db2.gz ASQJHQDOTDCRHY-UHFFFAOYSA-N 0 3 287.359 2.448 20 70 CEIDHN CCN(CC)[C@H](CNCc1cn(C)nc1C)c1ccco1 ZINC000161267751 367072759 /nfs/dbraw/zinc/07/27/59/367072759.db2.gz HKWVLXGNUVXMKG-OAHLLOKOSA-N 0 3 290.411 2.494 20 70 CEIDHN CC[C@@H](COC)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000160771952 367032819 /nfs/dbraw/zinc/03/28/19/367032819.db2.gz LMBDTBMCXIIYPI-JKSUJKDBSA-N 0 3 290.407 2.365 20 70 CEIDHN CCO[C@@H]1C[C@@H](NC(=O)[C@@H](N)CC(C)C)C12CCCC2 ZINC000159558769 286271054 /nfs/dbraw/zinc/27/10/54/286271054.db2.gz JVNTURLEVSYMMW-BFHYXJOUSA-N 0 3 282.428 2.214 20 70 CEIDHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(CCOCC2CC2)C1 ZINC000159878478 162315288 /nfs/dbraw/zinc/31/52/88/162315288.db2.gz QHGGMUFQXOYPTD-GOEBONIOSA-N 0 3 296.455 2.430 20 70 CEIDHN C[C@H](Cc1ccccc1F)C(=O)NC[C@@H]1CCCN1C ZINC000160133458 261205719 /nfs/dbraw/zinc/20/57/19/261205719.db2.gz APCZUJATJHXKST-OCCSQVGLSA-N 0 3 278.371 2.215 20 70 CEIDHN CO[C@@H]1CCCC[C@@H]1N[C@@H]1CCCc2c1cnn2C ZINC000218219097 293621626 /nfs/dbraw/zinc/62/16/26/293621626.db2.gz ZLSBNXPTTMCZMW-VNHYZAJKSA-N 0 3 263.385 2.345 20 70 CEIDHN CCN1CCC(N(C)C(=O)N2CCC(C)CC2)CC1 ZINC000160453687 521555549 /nfs/dbraw/zinc/55/55/49/521555549.db2.gz RQVGNRRAQISYFM-UHFFFAOYSA-N 0 3 267.417 2.254 20 70 CEIDHN CCS(=O)(=O)CCCNCc1cccc2cccnc21 ZINC000159416702 521638288 /nfs/dbraw/zinc/63/82/88/521638288.db2.gz PUIHTSQBQZTQGH-UHFFFAOYSA-N 0 3 292.404 2.149 20 70 CEIDHN C[C@H](C(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccsc1 ZINC000159496861 344455095 /nfs/dbraw/zinc/45/50/95/344455095.db2.gz HUOJCMYGUMMOOU-SMDDNHRTSA-N 0 3 278.421 2.452 20 70 CEIDHN Cc1[nH]nc(C(C)C)c1C(=O)NC1CCN(C2CC2)CC1 ZINC000159497409 540411980 /nfs/dbraw/zinc/41/19/80/540411980.db2.gz WUWZVTYHPQYVKB-UHFFFAOYSA-N 0 3 290.411 2.198 20 70 CEIDHN Cc1n[nH]c(C(C)C)c1C(=O)NC1CCN(C2CC2)CC1 ZINC000159497409 540411984 /nfs/dbraw/zinc/41/19/84/540411984.db2.gz WUWZVTYHPQYVKB-UHFFFAOYSA-N 0 3 290.411 2.198 20 70 CEIDHN C[C@H](CC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)c1ccncc1 ZINC000161104937 540725181 /nfs/dbraw/zinc/72/51/81/540725181.db2.gz WFPJEGLGOSNXFF-NFAWXSAZSA-N 0 3 287.407 2.317 20 70 CEIDHN CC[C@@](C)(O)CN[C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000159431428 366911480 /nfs/dbraw/zinc/91/14/80/366911480.db2.gz WUVLCXCOCYDSLF-SWLSCSKDSA-N 0 3 299.436 2.292 20 70 CEIDHN CN(Cc1cccc(Cl)n1)C[C@@H]1CCC[C@@H]1O ZINC000159448588 366914861 /nfs/dbraw/zinc/91/48/61/366914861.db2.gz UYIGNFJWVMEDRL-JQWIXIFHSA-N 0 3 254.761 2.328 20 70 CEIDHN CC[C@@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000159617939 366932795 /nfs/dbraw/zinc/93/27/95/366932795.db2.gz GKVKGDVWBXCDSU-IUODEOHRSA-N 0 3 258.365 2.132 20 70 CEIDHN CC(C)C[C@@H](C)NC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000159859294 366954735 /nfs/dbraw/zinc/95/47/35/366954735.db2.gz GAYYMPLESGMEGF-VXGBXAGGSA-N 0 3 255.406 2.203 20 70 CEIDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC1(C)C ZINC000159993155 366963708 /nfs/dbraw/zinc/96/37/08/366963708.db2.gz CVYOKAPUNWGDHQ-CABCVRRESA-N 0 3 274.408 2.322 20 70 CEIDHN CCN(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000159983037 366963838 /nfs/dbraw/zinc/96/38/38/366963838.db2.gz ROKMBHNFCQPGKV-ZFWWWQNUSA-N 0 3 275.396 2.168 20 70 CEIDHN CC[C@H](C)NC(=O)[C@H](C)N[C@@H]1C[C@H](OC)C1(CC)CC ZINC000160116402 366975163 /nfs/dbraw/zinc/97/51/63/366975163.db2.gz GCTRYZZKFHYMDK-FQUUOJAGSA-N 0 3 284.444 2.473 20 70 CEIDHN Cc1cccc2[nH]c(CNC(=O)[C@@H](C(C)C)N(C)C)nc21 ZINC000160241643 366986395 /nfs/dbraw/zinc/98/63/95/366986395.db2.gz AKHPGJKWUDRYOM-OAHLLOKOSA-N 0 3 288.395 2.074 20 70 CEIDHN Cc1cccc2nc(CNC(=O)[C@@H](C(C)C)N(C)C)[nH]c21 ZINC000160241643 366986400 /nfs/dbraw/zinc/98/64/00/366986400.db2.gz AKHPGJKWUDRYOM-OAHLLOKOSA-N 0 3 288.395 2.074 20 70 CEIDHN CNC(=O)[C@@H](C)CN(C)Cc1ccc(OC)c(Cl)c1 ZINC000160498307 367010206 /nfs/dbraw/zinc/01/02/06/367010206.db2.gz DLWHQHQNMSKYLA-JTQLQIEISA-N 0 3 284.787 2.163 20 70 CEIDHN Cc1ncsc1C(=O)NC[C@H]1CCCN1CC(C)C ZINC000160532391 367013139 /nfs/dbraw/zinc/01/31/39/367013139.db2.gz RHVBRHSOMFRZBR-GFCCVEGCSA-N 0 3 281.425 2.302 20 70 CEIDHN CC(=O)Nc1ccccc1CNCc1ccn(C)c1 ZINC000160521139 367013737 /nfs/dbraw/zinc/01/37/37/367013737.db2.gz DQDIXGYUJDJJCB-UHFFFAOYSA-N 0 3 257.337 2.273 20 70 CEIDHN CC[C@@H](c1ccccc1)S(=O)(=O)C(C)C(=O)N(C)C ZINC000160545612 367015689 /nfs/dbraw/zinc/01/56/89/367015689.db2.gz SKMAMQYOOIZARU-AAEUAGOBSA-N 0 3 283.393 2.029 20 70 CEIDHN CC(C)S(=O)(=O)CCCN([C@@H](C)C1CC1)C1CC1 ZINC000160790813 367034464 /nfs/dbraw/zinc/03/44/64/367034464.db2.gz AXLCUXCJNAACMW-LBPRGKRZSA-N 0 3 273.442 2.463 20 70 CEIDHN CC[C@H](N)C(=O)Nc1ccc(-c2nccc(C)n2)cc1 ZINC000160878309 367040163 /nfs/dbraw/zinc/04/01/63/367040163.db2.gz SKOQIZZFGWPCGE-ZDUSSCGKSA-N 0 3 270.336 2.128 20 70 CEIDHN CC(C)NC(=O)CN[C@@H](Cc1ccccc1)C1CC1 ZINC000160913349 367042246 /nfs/dbraw/zinc/04/22/46/367042246.db2.gz YABZIIQUDVQDAY-HNNXBMFYSA-N 0 3 260.381 2.122 20 70 CEIDHN CC(C)[C@@H](N)C(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000160972995 367047334 /nfs/dbraw/zinc/04/73/34/367047334.db2.gz IEEHCFJZLWXWGA-HUUCEWRRSA-N 0 3 292.423 2.117 20 70 CEIDHN Cc1cccc(C[C@H](NCC(=O)NC(C)C)C2CC2)c1 ZINC000160994646 367048009 /nfs/dbraw/zinc/04/80/09/367048009.db2.gz VDTXABJSXAANGD-INIZCTEOSA-N 0 3 274.408 2.430 20 70 CEIDHN CCO[C@@H]1CCCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000161088138 367055131 /nfs/dbraw/zinc/05/51/31/367055131.db2.gz DCUBBVDJFCXITC-MRXNPFEDSA-N 0 3 290.407 2.389 20 70 CEIDHN CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([O-])cc1Cl ZINC000161089800 367056797 /nfs/dbraw/zinc/05/67/97/367056797.db2.gz ACTKZMYRZPIAKN-GFCCVEGCSA-N 0 3 296.798 2.189 20 70 CEIDHN CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([O-])cc1Cl ZINC000161089800 367056799 /nfs/dbraw/zinc/05/67/99/367056799.db2.gz ACTKZMYRZPIAKN-GFCCVEGCSA-N 0 3 296.798 2.189 20 70 CEIDHN CCN(CCCOCC(F)(F)F)Cc1cnn(C)c1 ZINC000161135890 367061009 /nfs/dbraw/zinc/06/10/09/367061009.db2.gz OIEVBAABLFEESV-UHFFFAOYSA-N 0 3 279.306 2.211 20 70 CEIDHN C[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)Oc1cccc(F)c1 ZINC000161148780 367062812 /nfs/dbraw/zinc/06/28/12/367062812.db2.gz MGSJZOJPFCXLBV-GXFFZTMASA-N 0 3 282.359 2.083 20 70 CEIDHN O=C(NC1CCN(C2CC2)CC1)c1ccnc(Cl)c1F ZINC000161225041 367070735 /nfs/dbraw/zinc/07/07/35/367070735.db2.gz DABUUADEUVOPJJ-UHFFFAOYSA-N 0 3 297.761 2.231 20 70 CEIDHN CSCC[C@H](N)C(=O)NCC1(CC(C)C)CCC1 ZINC000160678754 367027372 /nfs/dbraw/zinc/02/73/72/367027372.db2.gz TXZOSJSBVJHOCB-LBPRGKRZSA-N 0 3 272.458 2.399 20 70 CEIDHN CC[C@H](C)OCC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000160752325 367031287 /nfs/dbraw/zinc/03/12/87/367031287.db2.gz UKKHOUNDBWVIEC-IHRRRGAJSA-N 0 3 270.417 2.038 20 70 CEIDHN CC[C@@H](NC[C@H](CO)c1ccccc1)c1cnn(C)c1 ZINC000161416736 367084922 /nfs/dbraw/zinc/08/49/22/367084922.db2.gz LVSNZRRHCWWENS-HZPDHXFCSA-N 0 3 273.380 2.237 20 70 CEIDHN COCc1ccc(CNCCNC(=O)OC(C)(C)C)cc1 ZINC000218090696 370205283 /nfs/dbraw/zinc/20/52/83/370205283.db2.gz CXKLKKFWECKYMT-UHFFFAOYSA-N 0 3 294.395 2.447 20 70 CEIDHN Cc1ccc(C(=O)CCC(=O)N2CCC[C@H]2CN)cc1C ZINC000160244689 249318980 /nfs/dbraw/zinc/31/89/80/249318980.db2.gz WKKCRNHZHRZAQS-HNNXBMFYSA-N 0 3 288.391 2.216 20 70 CEIDHN CCC[C@H](O)CN[C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000159495659 395058680 /nfs/dbraw/zinc/05/86/80/395058680.db2.gz SRIISJZOUNWYQH-JSGCOSHPSA-N 0 3 299.436 2.292 20 70 CEIDHN CC(C)C[C@@H]1CCCCN1C(=O)[C@@]1(F)CCNC1 ZINC000160877070 395062188 /nfs/dbraw/zinc/06/21/88/395062188.db2.gz GHSMIOZIJDBDNQ-GXTWGEPZSA-N 0 3 256.365 2.115 20 70 CEIDHN CC[C@@H](C)[C@H](C)NC(=O)N1CCCN(CC)CC1 ZINC000159750370 162313822 /nfs/dbraw/zinc/31/38/22/162313822.db2.gz PEEGACFSQGXKQT-OLZOCXBDSA-N 0 3 255.406 2.158 20 70 CEIDHN CCN1CCCN(C(=O)NCC2(C)CCCC2)CC1 ZINC000159837333 162314992 /nfs/dbraw/zinc/31/49/92/162314992.db2.gz WUQITFSOWWZNPJ-UHFFFAOYSA-N 0 3 267.417 2.304 20 70 CEIDHN Fc1cc(Cl)ccc1CNC[C@H]1CN2CCC[C@@H]2CO1 ZINC000160855435 162327519 /nfs/dbraw/zinc/32/75/19/162327519.db2.gz SVGYKBVYTGIKEN-KGLIPLIRSA-N 0 3 298.789 2.432 20 70 CEIDHN CC(=O)[C@H](NC(=O)CN(C)[C@@H]1CCCC[C@@H]1C)C(C)C ZINC000218188281 278234675 /nfs/dbraw/zinc/23/46/75/278234675.db2.gz QBEVKVBQWGKVRL-JGGQBBKZSA-N 0 3 282.428 2.227 20 70 CEIDHN C[C@H](NC1CCN(C)CC1)c1cccnc1Cl ZINC000161453290 278253947 /nfs/dbraw/zinc/25/39/47/278253947.db2.gz GBMVQDZQDNJFOE-JTQLQIEISA-N 0 3 253.777 2.480 20 70 CEIDHN Cc1nc2n(n1)C[C@H](N[C@H]1CCc3ccccc31)CC2 ZINC000160372045 279144310 /nfs/dbraw/zinc/14/43/10/279144310.db2.gz FQJLVCZGIJWIOG-HIFRSBDPSA-N 0 3 268.364 2.178 20 70 CEIDHN N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000159729318 297430311 /nfs/dbraw/zinc/43/03/11/297430311.db2.gz SCNLZMJOQXBCNA-FUHWJXTLSA-N 0 3 294.398 2.403 20 70 CEIDHN CS[C@H](C)CNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000159785726 297430671 /nfs/dbraw/zinc/43/06/71/297430671.db2.gz FUTIJYUFSUSNEP-QWHCGFSZSA-N 0 3 287.473 2.158 20 70 CEIDHN CN1C(=O)C[C@@H](NCC2(CO)CCCC2)c2ccccc21 ZINC000160064459 297433193 /nfs/dbraw/zinc/43/31/93/297433193.db2.gz XNXYCMQCFVVDLQ-CQSZACIVSA-N 0 3 288.391 2.237 20 70 CEIDHN CC(C)NC(=O)CN[C@@H](C)c1cc2c(s1)CCC2 ZINC000160960061 519708726 /nfs/dbraw/zinc/70/87/26/519708726.db2.gz MNFYDJLPCZFDKP-JTQLQIEISA-N 0 3 266.410 2.412 20 70 CEIDHN C[C@H](NC[C@H]1CC(=O)Nc2ccccc21)c1cnccn1 ZINC000160609592 525411366 /nfs/dbraw/zinc/41/13/66/525411366.db2.gz BHSOUZZVUAAMBP-NWDGAFQWSA-N 0 3 282.347 2.253 20 70 CEIDHN CCC1(CNC(=O)N(CCN(C)C)C(C)C)CC1 ZINC000159485215 527712717 /nfs/dbraw/zinc/71/27/17/527712717.db2.gz KUIBHYATZRGQJR-UHFFFAOYSA-N 0 3 255.406 2.158 20 70 CEIDHN CC(C)N(CCN(C)C)C(=O)NC[C@]1(C)CCCS1 ZINC000159621287 528896738 /nfs/dbraw/zinc/89/67/38/528896738.db2.gz QYOINBHFEUGBJS-AWEZNQCLSA-N 0 3 287.473 2.254 20 70 CEIDHN Cc1ncc([C@@H](C)NC[C@H]2CCCC[C@@H]2O)c(C)n1 ZINC000160521005 282164550 /nfs/dbraw/zinc/16/45/50/282164550.db2.gz YWKXKEMBKQBYKS-YVLXSGLVSA-N 0 3 263.385 2.295 20 70 CEIDHN C[C@@H](C(=O)NC[C@@H]1CCCN(C)C1)c1cccs1 ZINC000159514981 344454972 /nfs/dbraw/zinc/45/49/72/344454972.db2.gz JLCIWXNRFWZYRS-NEPJUHHUSA-N 0 3 266.410 2.310 20 70 CEIDHN CN(CC1CC1)C(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159718637 344455797 /nfs/dbraw/zinc/45/57/97/344455797.db2.gz NOROLOYUKAXOMS-KBPBESRZSA-N 0 3 250.386 2.119 20 70 CEIDHN CCCCOCCCNC(=O)[C@H]1CNCc2ccccc21 ZINC000160311409 344458276 /nfs/dbraw/zinc/45/82/76/344458276.db2.gz OGNDJCMGIQODIF-INIZCTEOSA-N 0 3 290.407 2.196 20 70 CEIDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1cnn(C(C)C)c1)CC2 ZINC000160537948 188479365 /nfs/dbraw/zinc/47/93/65/188479365.db2.gz DGPIVLZZZPPAMO-RISCZKNCSA-N 0 3 288.399 2.030 20 70 CEIDHN CC(C)OCCNC[C@@H](O)COc1ccc(Cl)cc1 ZINC000160196956 540113226 /nfs/dbraw/zinc/11/32/26/540113226.db2.gz AJNOSVMSWYHYAQ-CYBMUJFWSA-N 0 3 287.787 2.094 20 70 CEIDHN Cc1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)nc1 ZINC000159506138 540413489 /nfs/dbraw/zinc/41/34/89/540413489.db2.gz SSWWVXFAIODXLV-KFWWJZLASA-N 0 3 258.365 2.437 20 70 CEIDHN C[C@]1(CNC(=O)NC2CCN(C3CC3)CC2)CCCS1 ZINC000159731997 366943082 /nfs/dbraw/zinc/94/30/82/366943082.db2.gz UAPWPMSNOJIQAE-OAHLLOKOSA-N 0 3 297.468 2.198 20 70 CEIDHN CN(Cc1ccc(C(C)(C)C)cc1)CC(C)(CO)CO ZINC000159535067 366924018 /nfs/dbraw/zinc/92/40/18/366924018.db2.gz GQHIWEJTQBPNEC-UHFFFAOYSA-N 0 3 279.424 2.407 20 70 CEIDHN CC(C)[C@@H](C(=O)N[C@H](C)CNc1ccccc1)N(C)C ZINC000159585179 366930085 /nfs/dbraw/zinc/93/00/85/366930085.db2.gz BYKXEFUOEGZKAW-HIFRSBDPSA-N 0 3 277.412 2.189 20 70 CEIDHN Cc1ccc(C[C@@H](C)N(C)C(=O)[C@@]2(F)CCNC2)cc1 ZINC000159639298 366934164 /nfs/dbraw/zinc/93/41/64/366934164.db2.gz INIICTIMALEGFD-CZUORRHYSA-N 0 3 278.371 2.086 20 70 CEIDHN Cc1ncsc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159648339 366935665 /nfs/dbraw/zinc/93/56/65/366935665.db2.gz VDJOZAALXLOPET-RTXFEEFZSA-N 0 3 264.394 2.499 20 70 CEIDHN Cc1ccc(CN2CCC(CC(N)=O)CC2)cc1C ZINC000159808116 366949010 /nfs/dbraw/zinc/94/90/10/366949010.db2.gz KQYULEDFNBNOKO-UHFFFAOYSA-N 0 3 260.381 2.391 20 70 CEIDHN CCNC(=O)N1CC[C@@H](N[C@@H](C)c2ccccc2C)C1 ZINC000159813599 366951831 /nfs/dbraw/zinc/95/18/31/366951831.db2.gz LXFMGKZNQKWMJT-UONOGXRCSA-N 0 3 275.396 2.449 20 70 CEIDHN CCC1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000160271253 366989073 /nfs/dbraw/zinc/98/90/73/366989073.db2.gz LLIRFHJRSYPAFN-GRDNDAEWSA-N 0 3 294.439 2.168 20 70 CEIDHN CC1CCN(CCNC(=O)NC[C@@]2(C)CCCS2)CC1 ZINC000160273075 366989253 /nfs/dbraw/zinc/98/92/53/366989253.db2.gz DZGVAHXHMQFIDM-OAHLLOKOSA-N 0 3 299.484 2.303 20 70 CEIDHN C[C@H](NCC(C)(C)O)c1cnn(Cc2ccccc2)c1 ZINC000160639322 367024303 /nfs/dbraw/zinc/02/43/03/367024303.db2.gz WABUXGAGRYCOAL-ZDUSSCGKSA-N 0 3 273.380 2.353 20 70 CEIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)Nc1ncccn1 ZINC000160537859 367015446 /nfs/dbraw/zinc/01/54/46/367015446.db2.gz BYVZRYKUNOMGAX-NEPJUHHUSA-N 0 3 264.373 2.172 20 70 CEIDHN NC1(C(=O)NCCc2ccc(Cl)nc2)CCCCC1 ZINC000160534496 367015673 /nfs/dbraw/zinc/01/56/73/367015673.db2.gz VDQGVASYVLLSSL-UHFFFAOYSA-N 0 3 281.787 2.055 20 70 CEIDHN C[C@H]1Cc2ccccc2[C@@H]1NCC(=O)NCC(F)(F)F ZINC000160553892 367017338 /nfs/dbraw/zinc/01/73/38/367017338.db2.gz CZTNKOCAQLSSGQ-TVQRCGJNSA-N 0 3 286.297 2.188 20 70 CEIDHN CC[C@H](N)C(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000161044742 367050573 /nfs/dbraw/zinc/05/05/73/367050573.db2.gz HAMVMVCGKUZEIX-LEWSCRJBSA-N 0 3 264.344 2.473 20 70 CEIDHN COC(CN1CCC(Oc2ccc(C)cc2)CC1)OC ZINC000161145404 367062742 /nfs/dbraw/zinc/06/27/42/367062742.db2.gz SEWSOFVECXYHPK-UHFFFAOYSA-N 0 3 279.380 2.457 20 70 CEIDHN CCN1CCCN(C(=O)N[C@@H](C)C(C)(C)C)CC1 ZINC000159854405 285210395 /nfs/dbraw/zinc/21/03/95/285210395.db2.gz PVEJRAZOUUGVGK-LBPRGKRZSA-N 0 3 255.406 2.158 20 70 CEIDHN C[C@H](N)C(=O)N1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000161182103 395063456 /nfs/dbraw/zinc/06/34/56/395063456.db2.gz WDFLAGBGGBCVFL-DMDPSCGWSA-N 0 3 264.394 2.039 20 70 CEIDHN C[C@@H](N)C(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000161046424 400283877 /nfs/dbraw/zinc/28/38/77/400283877.db2.gz IERQDIZGOLEQPV-BREBYQMCSA-N 0 3 250.317 2.082 20 70 CEIDHN CCN1CCCN(C(=O)N[C@H](C)c2nc(C)cs2)CC1 ZINC000159810674 162316730 /nfs/dbraw/zinc/31/67/30/162316730.db2.gz DKWKMDQHHYIKBB-GFCCVEGCSA-N 0 3 296.440 2.250 20 70 CEIDHN CCN1CCCN(C(=O)N[C@H]2CCC[C@H](SC)C2)CC1 ZINC000159874970 162317005 /nfs/dbraw/zinc/31/70/05/162317005.db2.gz NJKSMEAKJBMLPH-KBPBESRZSA-N 0 3 299.484 2.398 20 70 CEIDHN CCNC(=O)CCN1CCC[C@@H]1c1cccc(C)n1 ZINC000160067171 162322767 /nfs/dbraw/zinc/32/27/67/162322767.db2.gz GETMUWGSSKJDPV-CQSZACIVSA-N 0 3 261.369 2.053 20 70 CEIDHN CC[C@@]1(C)CCCN(C(=O)[C@H](N)CCSC)C1 ZINC000160778588 276537214 /nfs/dbraw/zinc/53/72/14/276537214.db2.gz FGWFUHCFNWKHQL-YPMHNXCESA-N 0 3 258.431 2.106 20 70 CEIDHN CN(C)C[C@H]1CCCCN1C(=O)CCCn1cccc1 ZINC000159401621 297428650 /nfs/dbraw/zinc/42/86/50/297428650.db2.gz BPMMZEHVELCCRW-OAHLLOKOSA-N 0 3 277.412 2.211 20 70 CEIDHN CC(C)OCCNCc1cncc(Br)c1 ZINC000160595266 519768049 /nfs/dbraw/zinc/76/80/49/519768049.db2.gz HTPFRYSARVEDBR-UHFFFAOYSA-N 0 3 273.174 2.359 20 70 CEIDHN C[C@H](N)C(=O)N[C@H](COCc1ccccc1)c1ccccc1 ZINC000161303777 524824318 /nfs/dbraw/zinc/82/43/18/524824318.db2.gz IGXRMQIDKCYHNQ-WMLDXEAASA-N 0 3 298.386 2.408 20 70 CEIDHN C[C@@H](NC[C@H]1CC(=O)Nc2ccccc21)c1cnn(C)c1 ZINC000160616657 525497873 /nfs/dbraw/zinc/49/78/73/525497873.db2.gz WTIIBCWKXJNAMM-VXGBXAGGSA-N 0 3 284.363 2.197 20 70 CEIDHN CC[C@@H](NCCO)c1ccccc1Br ZINC000159724214 529166194 /nfs/dbraw/zinc/16/61/94/529166194.db2.gz HFEZXOFRRNRTEJ-LLVKDONJSA-N 0 3 258.159 2.482 20 70 CEIDHN