smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cnc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)s1 ZINC000160013523 362386893 /nfs/dbraw/zinc/38/68/93/362386893.db2.gz IXPNPEFNNJCHSN-PKFCDNJMSA-N 0 3 295.408 1.923 10 70 CDIEHN COC[C@@H](C)NCc1cn(C)nc1C(F)(F)F ZINC000159807949 364269281 /nfs/dbraw/zinc/26/92/81/364269281.db2.gz PXZQCLMVVMGGTO-SSDOTTSWSA-N 0 3 251.252 1.563 10 70 CDIEHN CN(C)C[C@@H](NC(=O)[C@@H]1CCCCO1)c1ccccc1 ZINC000160258527 364325812 /nfs/dbraw/zinc/32/58/12/364325812.db2.gz MEYADIJMNZIOAC-CABCVRRESA-N 0 3 276.380 1.975 10 70 CDIEHN Cc1ccc(CC(=O)NC[C@@H](O)CN2CCCCC2)s1 ZINC000160321517 364335318 /nfs/dbraw/zinc/33/53/18/364335318.db2.gz QEQJAPHQGIUQGZ-CYBMUJFWSA-N 0 3 296.436 1.562 10 70 CDIEHN CCOCCN(CC)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160518526 519908336 /nfs/dbraw/zinc/90/83/36/519908336.db2.gz VCWBADZBAKGWAX-DVOMOZLQSA-N 0 3 298.427 1.404 10 70 CDIEHN CCn1cnnc1C1CCN(CC(OC)OC)CC1 ZINC000160986706 523581760 /nfs/dbraw/zinc/58/17/60/523581760.db2.gz TVGHFPBEVIEDHP-UHFFFAOYSA-N 0 3 268.361 1.096 10 70 CDIEHN CNCC(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000159978353 361985404 /nfs/dbraw/zinc/98/54/04/361985404.db2.gz VXYFSDHJAVBAKZ-WCQYABFASA-N 0 3 262.353 1.619 10 70 CDIEHN COc1ccc(CNC(C)(C)[C@@H](C)O)c(OC)c1OC ZINC000161134412 362406553 /nfs/dbraw/zinc/40/65/53/362406553.db2.gz UCOLNNZYFAKLCR-SNVBAGLBSA-N 0 3 283.368 1.961 10 70 CDIEHN CC[C@@H](CO)N1CCN(Cc2cnc3ccccn23)CC1 ZINC000160851093 358775470 /nfs/dbraw/zinc/77/54/70/358775470.db2.gz LSVNDZHXSASFGJ-AWEZNQCLSA-N 0 3 288.395 1.223 10 70 CDIEHN Cc1ccc(F)cc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160250049 364326329 /nfs/dbraw/zinc/32/63/29/364326329.db2.gz IWZQCPJXWLINCC-AWEZNQCLSA-N 0 3 294.370 1.711 10 70 CDIEHN CC(C)N1C[C@H](NC(=O)c2ccc(NC=O)cc2)[C@@H](C)C1 ZINC000161266710 364470520 /nfs/dbraw/zinc/47/05/20/364470520.db2.gz FHFYOHFPERKIFF-WFASDCNBSA-N 0 3 289.379 1.713 10 70 CDIEHN CCC[C@@H](C(=O)NC[C@H](C(C)C)N1CCOCC1)N(C)C ZINC000161385230 377613491 /nfs/dbraw/zinc/61/34/91/377613491.db2.gz DZNHKDHOBZWOMU-LSDHHAIUSA-N 0 3 299.459 1.190 10 70 CDIEHN CC[C@H](N[C@H](C)c1ccccc1-n1cccn1)C(N)=O ZINC000160826423 391572883 /nfs/dbraw/zinc/57/28/83/391572883.db2.gz QDZQAATWGWVWDC-YPMHNXCESA-N 0 3 272.352 1.787 10 70 CDIEHN C[C@@H](CNC(=O)[C@H](N)Cc1ccccc1)N1CCCC1 ZINC000161014634 292798084 /nfs/dbraw/zinc/79/80/84/292798084.db2.gz KCINDOPIAKLRFV-DZGCQCFKSA-N 0 3 275.396 1.157 10 70 CDIEHN CCC[C@H](C(=O)N1CCC(C(=O)OCC)CC1)N(C)C ZINC000161159923 292801115 /nfs/dbraw/zinc/80/11/15/292801115.db2.gz YZHRYUFUMBZHDO-CYBMUJFWSA-N 0 3 284.400 1.518 10 70 CDIEHN CC(C)OCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160809346 482827840 /nfs/dbraw/zinc/82/78/40/482827840.db2.gz CFHBIWFAPWRTOT-TYNCELHUSA-N 0 3 284.400 1.060 10 70 CDIEHN Cc1nc(C[C@H]2CCCN(CCC(=O)NC(C)C)C2)no1 ZINC000161048884 526922120 /nfs/dbraw/zinc/92/21/20/526922120.db2.gz ZJMQJGUXRYZXPG-CYBMUJFWSA-N 0 3 294.399 1.547 10 70 CDIEHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cnn(C(C)(C)C)c1 ZINC000159697188 361789787 /nfs/dbraw/zinc/78/97/87/361789787.db2.gz OMWVWIBCCIVKMY-WCQYABFASA-N 0 3 278.400 1.724 10 70 CDIEHN CCC[C@H](C(=O)N1CC[C@H]2OCCC[C@@H]2C1)N(C)C ZINC000159706758 361804640 /nfs/dbraw/zinc/80/46/40/361804640.db2.gz UUHSBWHVWWFHPU-MGPQQGTHSA-N 0 3 268.401 1.744 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCC1CCCC1 ZINC000160119001 362395159 /nfs/dbraw/zinc/39/51/59/362395159.db2.gz KAXBJFUVAHLIJC-ZENOOKHLSA-N 0 3 280.412 1.825 10 70 CDIEHN C[C@@H](CO)[C@@H](C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000160355813 362415295 /nfs/dbraw/zinc/41/52/95/362415295.db2.gz UOHPIEHFSPHIKT-NWDGAFQWSA-N 0 3 264.369 1.495 10 70 CDIEHN O=C(N1CCN2CCC[C@@H]2C1)N1CCCCCC1 ZINC000160681373 360068667 /nfs/dbraw/zinc/06/86/67/360068667.db2.gz AFDMJNOQARDICE-CYBMUJFWSA-N 0 3 251.374 1.762 10 70 CDIEHN C[C@@H](NCCCN1CCCC1=O)c1cncs1 ZINC000159502659 364221847 /nfs/dbraw/zinc/22/18/47/364221847.db2.gz KGKKRSIVUMNFJO-SNVBAGLBSA-N 0 3 253.371 1.806 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ccccc1O ZINC000160557496 520646965 /nfs/dbraw/zinc/64/69/65/520646965.db2.gz FSXANOKCPHNLNQ-ZXIHIIQKSA-N 0 3 290.363 1.863 10 70 CDIEHN CC[C@@H](C(=O)N1CC[C@H](Oc2cccnc2)C1)N(C)C ZINC000160649638 521825351 /nfs/dbraw/zinc/82/53/51/521825351.db2.gz XASNVSXICNQWQK-KBPBESRZSA-N 0 3 277.368 1.402 10 70 CDIEHN CC[C@@H](C(=O)N1CC[C@@H](Oc2cccnc2)C1)N(C)C ZINC000160649870 521825859 /nfs/dbraw/zinc/82/58/59/521825859.db2.gz XASNVSXICNQWQK-KGLIPLIRSA-N 0 3 277.368 1.402 10 70 CDIEHN COc1ccccc1CN1C[C@@H](C(N)=O)CC[C@H]1C ZINC000159655397 364248386 /nfs/dbraw/zinc/24/83/86/364248386.db2.gz MOLJQNFVDRUTTL-YPMHNXCESA-N 0 3 262.353 1.781 10 70 CDIEHN C[C@@H](C(=O)NC[C@H](O)CN1CCCCC1)c1cccs1 ZINC000160542231 364369452 /nfs/dbraw/zinc/36/94/52/364369452.db2.gz ZLRBKUUBRYIHMU-OLZOCXBDSA-N 0 3 296.436 1.815 10 70 CDIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccccc2)C1 ZINC000161402616 364487511 /nfs/dbraw/zinc/48/75/11/364487511.db2.gz HGOQSFLIWGCYMW-OCCSQVGLSA-N 0 3 289.379 1.470 10 70 CDIEHN C[C@@H](N)C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000161186582 264272544 /nfs/dbraw/zinc/27/25/44/264272544.db2.gz ZGCJQKFZDKSFKZ-GFCCVEGCSA-N 0 3 289.379 1.002 10 70 CDIEHN COCCC1(CNC(=O)N2CC[C@H](N(C)C)C2)CC1 ZINC000161017650 277202983 /nfs/dbraw/zinc/20/29/83/277202983.db2.gz XQPSRJYVGVMOKD-LBPRGKRZSA-N 0 3 269.389 1.149 10 70 CDIEHN Cc1csc(=O)n1CCN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160688773 526311467 /nfs/dbraw/zinc/31/14/67/526311467.db2.gz FMGDGCUFRTVDBS-HIFRSBDPSA-N 0 3 296.436 1.845 10 70 CDIEHN COCCCNC(=O)CN[C@H](C)c1cccc(C)c1 ZINC000160229984 237171388 /nfs/dbraw/zinc/17/13/88/237171388.db2.gz IUVAMPUEAAJGCQ-CYBMUJFWSA-N 0 3 264.369 1.798 10 70 CDIEHN CCN1CCCN(C(=O)N[C@H](C)Cc2cc(C)n[nH]2)CC1 ZINC000160013036 364294348 /nfs/dbraw/zinc/29/43/48/364294348.db2.gz UKBPBLBTQYLDON-GFCCVEGCSA-N 0 3 293.415 1.386 10 70 CDIEHN CCc1nn(C)c(CC)c1CNCCc1cnn(C)c1 ZINC000160416591 364348943 /nfs/dbraw/zinc/34/89/43/364348943.db2.gz PPKGKIQNXFCEHG-UHFFFAOYSA-N 0 3 275.400 1.611 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCCC1CC1 ZINC000160919007 292796608 /nfs/dbraw/zinc/79/66/08/292796608.db2.gz TZVZCSPVDNWRCO-IOASZLSFSA-N 0 3 280.412 1.825 10 70 CDIEHN CCC[C@@H](C(=O)N1CCN(C(=O)C(C)(C)C)CC1)N(C)C ZINC000161484728 292807409 /nfs/dbraw/zinc/80/74/09/292807409.db2.gz LWZRAJXVCWEUBF-ZDUSSCGKSA-N 0 3 297.443 1.434 10 70 CDIEHN CCc1nn(C)c(CC)c1CNC[C@@H]1CCCO1 ZINC000159573313 482723886 /nfs/dbraw/zinc/72/38/86/482723886.db2.gz ADHNVUUCEQLHTJ-NSHDSACASA-N 0 3 251.374 1.814 10 70 CDIEHN CC1(C)C(C(=O)NC[C@H](O)CN2CCCCC2)C1(C)C ZINC000160138757 528869625 /nfs/dbraw/zinc/86/96/25/528869625.db2.gz CDQKMXUMFKNTBK-LBPRGKRZSA-N 0 3 282.428 1.632 10 70 CDIEHN CC[C@@H](C(=O)N1CCO[C@H](c2cccs2)C1)N(C)C ZINC000159586342 364238186 /nfs/dbraw/zinc/23/81/86/364238186.db2.gz VGDCCVRJZHNQIP-RYUDHWBXSA-N 0 3 282.409 1.988 10 70 CDIEHN Cc1c(CCC(=O)N[C@H](CC(C)C)CN(C)C)cnn1C ZINC000160247955 364325517 /nfs/dbraw/zinc/32/55/17/364325517.db2.gz VGHYJKKVPMCDBG-OAHLLOKOSA-N 0 3 294.443 1.754 10 70 CDIEHN CCC[C@H](C(=O)NCCOc1ccccc1)N(C)C ZINC000161231175 364468006 /nfs/dbraw/zinc/46/80/06/364468006.db2.gz CPCANNCPLXAVIY-CQSZACIVSA-N 0 3 264.369 1.912 10 70 CDIEHN CCC[C@@H](C(=O)NCc1cccc(C(N)=O)c1)N(C)C ZINC000161486518 364501785 /nfs/dbraw/zinc/50/17/85/364501785.db2.gz XSIFEEYHXAQQOA-ZDUSSCGKSA-N 0 3 277.368 1.132 10 70 CDIEHN Cc1nc(C[C@@H]2CCCN(CCC(=O)NC(C)C)C2)no1 ZINC000161048752 526920489 /nfs/dbraw/zinc/92/04/89/526920489.db2.gz ZJMQJGUXRYZXPG-ZDUSSCGKSA-N 0 3 294.399 1.547 10 70 CDIEHN COc1ccccc1CN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159655524 361763868 /nfs/dbraw/zinc/76/38/68/361763868.db2.gz MOLJQNFVDRUTTL-AAEUAGOBSA-N 0 3 262.353 1.781 10 70 CDIEHN CN(C)C[C@@H]1CN(C(=O)C2CCC(C)(C)CC2)CCO1 ZINC000160472243 282122470 /nfs/dbraw/zinc/12/24/70/282122470.db2.gz WIMXGOBMTPEQEE-CQSZACIVSA-N 0 3 282.428 1.992 10 70 CDIEHN CCC[C@H](C(=O)N1CCN(CCOCC)[C@H](C)C1)N(C)C ZINC000160883525 362193562 /nfs/dbraw/zinc/19/35/62/362193562.db2.gz MYKGOGTZPDCFTM-HUUCEWRRSA-N 0 3 299.459 1.286 10 70 CDIEHN Cc1ccnc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000160068746 362392671 /nfs/dbraw/zinc/39/26/71/362392671.db2.gz WNZNAMPAINBRLA-DETPVDSQSA-N 0 3 289.379 1.861 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCc1ccncc1 ZINC000160075938 362392737 /nfs/dbraw/zinc/39/27/37/362392737.db2.gz CEQDLJYDKVHPFR-ZENOOKHLSA-N 0 3 289.379 1.230 10 70 CDIEHN COCc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)o1 ZINC000160599612 237182398 /nfs/dbraw/zinc/18/23/98/237182398.db2.gz MISUMHSQIBBQLD-GFCCVEGCSA-N 0 3 296.367 1.003 10 70 CDIEHN Cc1c(C(=O)N2CC[C@H](N(C)C)C2)cnn1CC(C)C ZINC000161373761 364486626 /nfs/dbraw/zinc/48/66/26/364486626.db2.gz AQMRBBUCHOYBAW-ZDUSSCGKSA-N 0 3 278.400 1.624 10 70 CDIEHN CCC[C@@H](C(=O)NCc1cccnc1OCC)N(C)C ZINC000161465501 377662721 /nfs/dbraw/zinc/66/27/21/377662721.db2.gz SUKDRKCFHYAUSG-ZDUSSCGKSA-N 0 3 279.384 1.827 10 70 CDIEHN CCC[C@H](C(=O)N1CC[C@@H]2OCCC[C@@H]2C1)N(C)C ZINC000159707025 278919759 /nfs/dbraw/zinc/91/97/59/278919759.db2.gz UUHSBWHVWWFHPU-MCIONIFRSA-N 0 3 268.401 1.744 10 70 CDIEHN COC(CN1CCC[C@H](n2cc(C)cn2)C1)OC ZINC000160983700 522533989 /nfs/dbraw/zinc/53/39/89/522533989.db2.gz HJIRGPHEHMDVJT-LBPRGKRZSA-N 0 3 253.346 1.447 10 70 CDIEHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(N(C)C)nc1 ZINC000159681237 539114579 /nfs/dbraw/zinc/11/45/79/539114579.db2.gz OOBQIENVUIAXEP-DGCLKSJQSA-N 0 3 276.384 1.233 10 70 CDIEHN C[C@H](C1CC1)N(C)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160169392 362402765 /nfs/dbraw/zinc/40/27/65/362402765.db2.gz SGBPKUIGKBPNAW-YGSHXTJESA-N 0 3 280.412 1.776 10 70 CDIEHN C[C@@H](N[C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC1CC1 ZINC000159847014 363377537 /nfs/dbraw/zinc/37/75/37/363377537.db2.gz WFRRPHNWXIZIRU-VXGBXAGGSA-N 0 3 299.378 1.585 10 70 CDIEHN CCc1oc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1C ZINC000160077945 237163380 /nfs/dbraw/zinc/16/33/80/237163380.db2.gz DXLWIPDCHPBZML-CYBMUJFWSA-N 0 3 294.395 1.727 10 70 CDIEHN CCC[C@@H](C(=O)N1CCN(CCOCC)[C@H](C)C1)N(C)C ZINC000160883385 362192705 /nfs/dbraw/zinc/19/27/05/362192705.db2.gz MYKGOGTZPDCFTM-CABCVRRESA-N 0 3 299.459 1.286 10 70 CDIEHN CC[C@@H]1CN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CCO1 ZINC000160165554 362401505 /nfs/dbraw/zinc/40/15/05/362401505.db2.gz DQCIWUQZHBLZOO-NFFDBFGFSA-N 0 3 296.411 1.156 10 70 CDIEHN Cc1ccncc1NC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000160506000 362437286 /nfs/dbraw/zinc/43/72/86/362437286.db2.gz GDFYIYKPZQNGJT-DETPVDSQSA-N 0 3 289.379 1.861 10 70 CDIEHN CCOC(=O)NCCCC(=O)N(C)C[C@@H]1CCCN1CC ZINC000159999042 363563093 /nfs/dbraw/zinc/56/30/93/363563093.db2.gz FOYWEDDIZHDKAW-ZDUSSCGKSA-N 0 3 299.415 1.455 10 70 CDIEHN CCN(CC)CC(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000160417874 363854714 /nfs/dbraw/zinc/85/47/14/363854714.db2.gz DXLAAKHZMVSIEO-UHFFFAOYSA-N 0 3 274.368 1.829 10 70 CDIEHN CCN(CC)CC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000160417874 363854715 /nfs/dbraw/zinc/85/47/15/363854715.db2.gz DXLAAKHZMVSIEO-UHFFFAOYSA-N 0 3 274.368 1.829 10 70 CDIEHN CCC[C@H](C(=O)NCCc1ccc2c(c1)OCO2)N(C)C ZINC000161282645 292803192 /nfs/dbraw/zinc/80/31/92/292803192.db2.gz WEZPNIYVRQEACU-CYBMUJFWSA-N 0 3 292.379 1.804 10 70 CDIEHN CCN1CCCN(C(=O)NCc2cccc(OC)n2)CC1 ZINC000159785365 361846725 /nfs/dbraw/zinc/84/67/25/361846725.db2.gz AWSZLVRUBSBJEI-UHFFFAOYSA-N 0 3 292.383 1.327 10 70 CDIEHN CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCC(=O)C[C@@H]1C ZINC000159975867 361983413 /nfs/dbraw/zinc/98/34/13/361983413.db2.gz QIGDFZVTUVEIDT-OUCADQQQSA-N 0 3 268.401 1.838 10 70 CDIEHN CCn1cc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)cn1 ZINC000160156714 362400266 /nfs/dbraw/zinc/40/02/66/362400266.db2.gz XUHRGHKXCKIBDX-TYNCELHUSA-N 0 3 292.383 1.374 10 70 CDIEHN COCCN1CCC[C@H]1CNC(=O)NC1(C)CCC1 ZINC000161097145 362587037 /nfs/dbraw/zinc/58/70/37/362587037.db2.gz DKCBYIJRFNLPCV-LBPRGKRZSA-N 0 3 269.389 1.339 10 70 CDIEHN CCN1CCC[C@H]1CNC(=O)[C@@H](C)C1CCOCC1 ZINC000160331787 363821908 /nfs/dbraw/zinc/82/19/08/363821908.db2.gz OCCVMVWBXDPRDX-JSGCOSHPSA-N 0 3 268.401 1.650 10 70 CDIEHN C[C@H](NC[C@H](CO)c1ccccc1)c1cnccn1 ZINC000161481877 364499761 /nfs/dbraw/zinc/49/97/61/364499761.db2.gz APZRJBPXDJWGRL-GXTWGEPZSA-N 0 3 257.337 1.903 10 70 CDIEHN Cc1cc(C[C@@H](C)NC(=O)CN(C)C(C)C)[nH]n1 ZINC000161406738 377618856 /nfs/dbraw/zinc/61/88/56/377618856.db2.gz PTTFHLUQHKEKKS-SNVBAGLBSA-N 0 3 252.362 1.106 10 70 CDIEHN Cc1cc(C[C@@H](C)NC(=O)CN(C)C(C)C)n[nH]1 ZINC000161406738 377618867 /nfs/dbraw/zinc/61/88/67/377618867.db2.gz PTTFHLUQHKEKKS-SNVBAGLBSA-N 0 3 252.362 1.106 10 70 CDIEHN COCCC1(CNC(=O)N2CC[C@H](N3CC=CC3)C2)CC1 ZINC000161127672 284859682 /nfs/dbraw/zinc/85/96/82/284859682.db2.gz SLCOIDIAJUAKMX-AWEZNQCLSA-N 0 3 293.411 1.459 10 70 CDIEHN COC(CN1CCC[C@@H]1Cn1ccnc1C)OC ZINC000161424943 522534408 /nfs/dbraw/zinc/53/44/08/522534408.db2.gz BNEWLOOAQTWHAX-GFCCVEGCSA-N 0 3 253.346 1.275 10 70 CDIEHN C[C@H]1CC(NC(=O)NC[C@@H]2CCCN2C)C[C@H](C)O1 ZINC000159763722 345267891 /nfs/dbraw/zinc/26/78/91/345267891.db2.gz RWHIFYQYHMNLSP-GVXVVHGQSA-N 0 3 269.389 1.336 10 70 CDIEHN CCC[C@@H](C(=O)NCc1ccc(C(N)=O)cc1)N(C)C ZINC000160252215 364326185 /nfs/dbraw/zinc/32/61/85/364326185.db2.gz MUKHSMAKCGUIMT-ZDUSSCGKSA-N 0 3 277.368 1.132 10 70 CDIEHN C[C@@H](NC[C@@H](CO)c1ccccc1)c1cnn(C)c1 ZINC000161486315 364501877 /nfs/dbraw/zinc/50/18/77/364501877.db2.gz RGGGJHLHXMUEMW-DOMZBBRYSA-N 0 3 259.353 1.847 10 70 CDIEHN CCc1cc(C)c(C(=O)NC[C@@H](O)CN2CCCCC2)o1 ZINC000160461028 392505039 /nfs/dbraw/zinc/50/50/39/392505039.db2.gz ZXXFYZBPTPXTFV-CYBMUJFWSA-N 0 3 294.395 1.727 10 70 CDIEHN CC[C@H](C(=O)N1CC[C@H](Oc2cccnc2)C1)N(C)C ZINC000160649751 276541828 /nfs/dbraw/zinc/54/18/28/276541828.db2.gz XASNVSXICNQWQK-UONOGXRCSA-N 0 3 277.368 1.402 10 70 CDIEHN CCn1cc(C2CCN(CCC(=O)NC(C)C)CC2)cn1 ZINC000160472948 523357486 /nfs/dbraw/zinc/35/74/86/523357486.db2.gz IUHWILXQRAAVAX-UHFFFAOYSA-N 0 3 292.427 1.997 10 70 CDIEHN O=C(Nc1cc(C2CCCCCC2)[nH]n1)[C@@H]1C[C@H](O)CN1 ZINC000159478270 527106642 /nfs/dbraw/zinc/10/66/42/527106642.db2.gz WTWBKTZLUCYTIV-AAEUAGOBSA-N 0 3 292.383 1.509 10 70 CDIEHN COc1cc(NC(=O)[C@H]2C[C@@H](OC)CN2)ccc1F ZINC000160345084 342072906 /nfs/dbraw/zinc/07/29/06/342072906.db2.gz LZOAJTULCILTGS-MWLCHTKSSA-N 0 3 268.288 1.150 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1nccs1 ZINC000159952380 362381640 /nfs/dbraw/zinc/38/16/40/362381640.db2.gz ALRGFRPVCXCESW-KKFJDGPESA-N 0 3 281.381 1.614 10 70 CDIEHN N[C@H](CC(=O)N[C@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000217719954 412670981 /nfs/dbraw/zinc/67/09/81/412670981.db2.gz GNNCWJMXBNAPIJ-BFHYXJOUSA-N 0 3 262.353 1.496 10 70 CDIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cccs1 ZINC000159984275 364288627 /nfs/dbraw/zinc/28/86/27/364288627.db2.gz QQZCHLLKRIZXBD-NSHDSACASA-N 0 3 268.382 1.325 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCc1ccco1 ZINC000159958338 139908193 /nfs/dbraw/zinc/90/81/93/139908193.db2.gz ZMPONQYAOJLSMF-JMSVASOKSA-N 0 3 278.352 1.428 10 70 CDIEHN CC[C@H](C(N)=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000216738796 276612020 /nfs/dbraw/zinc/61/20/20/276612020.db2.gz MPHPYYIHHDSILX-KCQAQPDRSA-N 0 3 297.443 1.072 10 70 CDIEHN CC(C)N(CCN(C)C)C(=O)[C@@H](C)C1CCOCC1 ZINC000161185844 292801801 /nfs/dbraw/zinc/80/18/01/292801801.db2.gz VVYYKZSCGYVQIU-ZDUSSCGKSA-N 0 3 270.417 1.848 10 70 CDIEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc[nH]c1=O ZINC000161232022 519775735 /nfs/dbraw/zinc/77/57/35/519775735.db2.gz MKGCPMWJVOZUSW-NSHDSACASA-N 0 3 265.357 1.493 10 70 CDIEHN CCNC(=O)CCN1CCC(c2ccnn2C)CC1 ZINC000160532682 521735616 /nfs/dbraw/zinc/73/56/16/521735616.db2.gz SZEJIKSMFKUDNC-UHFFFAOYSA-N 0 3 264.373 1.126 10 70 CDIEHN Cc1nn(C)c(C)c1CN[C@H]1CCCc2[nH]c(=O)ccc21 ZINC000161019056 282262211 /nfs/dbraw/zinc/26/22/11/282262211.db2.gz XXULHZJCRUJPBF-AWEZNQCLSA-N 0 3 286.379 1.892 10 70 CDIEHN COc1cc(NC(=O)C2(N)CCOCC2)ccc1F ZINC000160330380 362413252 /nfs/dbraw/zinc/41/32/52/362413252.db2.gz XJBOVBKXFUJVJV-UHFFFAOYSA-N 0 3 268.288 1.281 10 70 CDIEHN CCc1ccccc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160602093 188483434 /nfs/dbraw/zinc/48/34/34/188483434.db2.gz UAMLQMZZUQKSMN-HNNXBMFYSA-N 0 3 290.407 1.826 10 70 CDIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N(C)CC2CCOCC2)C1 ZINC000159925732 363466363 /nfs/dbraw/zinc/46/63/63/363466363.db2.gz LDULGRYAILGVHD-HIFRSBDPSA-N 0 3 297.443 1.783 10 70 CDIEHN C[C@@H](C(=O)NC1CCN(C)CC1)C1CCOCC1 ZINC000160247048 363794162 /nfs/dbraw/zinc/79/41/62/363794162.db2.gz ZGWJTZDBCDNZLI-LLVKDONJSA-N 0 3 254.374 1.260 10 70 CDIEHN Cc1ncsc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160618135 364383204 /nfs/dbraw/zinc/38/32/04/364383204.db2.gz KCXUFTZYLXGWNV-NSHDSACASA-N 0 3 283.397 1.028 10 70 CDIEHN CCc1ncc(NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cn1 ZINC000161152319 367336153 /nfs/dbraw/zinc/33/61/53/367336153.db2.gz AMTRVLWWZKVRQY-DGCLKSJQSA-N 0 3 291.399 1.985 10 70 CDIEHN CCC[C@@H](C(=O)NC[C@@H](C(C)C)N1CCOCC1)N(C)C ZINC000161385034 377614438 /nfs/dbraw/zinc/61/44/38/377614438.db2.gz DZNHKDHOBZWOMU-GJZGRUSLSA-N 0 3 299.459 1.190 10 70 CDIEHN COC(=O)[C@H]1CCCN(C(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000217407960 390918571 /nfs/dbraw/zinc/91/85/71/390918571.db2.gz MLKYRJHCYOBVEG-RQJABVFESA-N 0 3 296.411 1.659 10 70 CDIEHN CCOC[C@H](O)CN[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000161314268 520162183 /nfs/dbraw/zinc/16/21/83/520162183.db2.gz MFDVBCOQFZRJFF-DGCLKSJQSA-N 0 3 283.416 1.995 10 70 CDIEHN COCCNCC(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000159638757 523932092 /nfs/dbraw/zinc/93/20/92/523932092.db2.gz HEPMQYPPNIMONE-CQSZACIVSA-N 0 3 278.396 1.620 10 70 CDIEHN COc1ccc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159631149 398214375 /nfs/dbraw/zinc/21/43/75/398214375.db2.gz KXPNFZJGBFXJSK-AAEUAGOBSA-N 0 3 292.379 1.790 10 70 CDIEHN Cc1ncccc1NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160641631 282196729 /nfs/dbraw/zinc/19/67/29/282196729.db2.gz COQHGMUZPISHBS-PVXIVEMSSA-N 0 3 289.379 1.861 10 70 CDIEHN C[C@H]1C[C@@H](NC(=O)c2cnc3c(c2)ncn3C)CN1C1CC1 ZINC000159956474 345314784 /nfs/dbraw/zinc/31/47/84/345314784.db2.gz GJUMMYIYYQQRAV-CMPLNLGQSA-N 0 3 299.378 1.323 10 70 CDIEHN O=C(NC[C@H](O)CN1CCCCC1)C1=CCCC1 ZINC000159906461 237160828 /nfs/dbraw/zinc/16/08/28/237160828.db2.gz BUHLUTXQVDFANU-ZDUSSCGKSA-N 0 3 252.358 1.060 10 70 CDIEHN Cc1cccc(C(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160527682 364367749 /nfs/dbraw/zinc/36/77/49/364367749.db2.gz BEMPMOLODGFCIJ-HNNXBMFYSA-N 0 3 276.380 1.572 10 70 CDIEHN CC(C)c1ccc(N(C)C(=O)[C@@H]2C[C@H](O)CN2)cc1 ZINC000161458947 392721660 /nfs/dbraw/zinc/72/16/60/392721660.db2.gz PIAAWFSUNZSCMD-KBPBESRZSA-N 0 3 262.353 1.496 10 70 CDIEHN C[C@H](C(=O)NC1CCN(C2CC2)CC1)C1CCOCC1 ZINC000161295207 292803875 /nfs/dbraw/zinc/80/38/75/292803875.db2.gz LYAYBLOSCGGAIS-LBPRGKRZSA-N 0 3 280.412 1.792 10 70 CDIEHN CCC[C@@H](C(=O)N1CCN(C(=O)OCC)CC1)N(C)C ZINC000161168778 362708340 /nfs/dbraw/zinc/70/83/40/362708340.db2.gz OIEWEIDTWIOJHK-LBPRGKRZSA-N 0 3 285.388 1.017 10 70 CDIEHN C[C@H]1C[C@H](N(C)C(=O)NCCc2cscn2)CCN1C ZINC000159416128 358502602 /nfs/dbraw/zinc/50/26/02/358502602.db2.gz JIWYNIXEWNTVPM-WCQYABFASA-N 0 3 296.440 1.810 10 70 CDIEHN Cc1ccc(CC(=O)NC[C@H](O)CN2CCCCC2)s1 ZINC000160321389 364335292 /nfs/dbraw/zinc/33/52/92/364335292.db2.gz QEQJAPHQGIUQGZ-ZDUSSCGKSA-N 0 3 296.436 1.562 10 70 CDIEHN CC[C@@H](C)OCC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000161326406 292804522 /nfs/dbraw/zinc/80/45/22/292804522.db2.gz YBTFYUQVWCBTPW-OLZOCXBDSA-N 0 3 258.406 1.894 10 70 CDIEHN CCC(CC)(CNC(=O)NC[C@@H]1CCCN1C)C(=O)OC ZINC000159719295 528675389 /nfs/dbraw/zinc/67/53/89/528675389.db2.gz QJHVCUCWFAVJRT-LBPRGKRZSA-N 0 3 299.415 1.359 10 70 CDIEHN c1cn(CCN2CCCC[C@@H]2CN2CCOCC2)cn1 ZINC000159857132 361883425 /nfs/dbraw/zinc/88/34/25/361883425.db2.gz DMKOHTUQLJQYJG-OAHLLOKOSA-N 0 3 278.400 1.070 10 70 CDIEHN CCC(CC)NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000159964975 362382065 /nfs/dbraw/zinc/38/20/65/362382065.db2.gz PCYAEDWYJHAVFY-TYNCELHUSA-N 0 3 268.401 1.824 10 70 CDIEHN CNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cccc(C)c1 ZINC000160255680 363798167 /nfs/dbraw/zinc/79/81/67/363798167.db2.gz LIHJIPRFBXAELE-QWRGUYRKSA-N 0 3 263.341 1.490 10 70 CDIEHN CCN(CC(=O)NCc1nc2cccc(C)c2[nH]1)C1CC1 ZINC000160476024 363903920 /nfs/dbraw/zinc/90/39/20/363903920.db2.gz XJUCISVUWNJYAU-UHFFFAOYSA-N 0 3 286.379 1.972 10 70 CDIEHN Cc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1C ZINC000160225946 364321143 /nfs/dbraw/zinc/32/11/43/364321143.db2.gz KIMPJKDEBMZSLT-INIZCTEOSA-N 0 3 290.407 1.880 10 70 CDIEHN CCN(CC)S(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000160279853 377044327 /nfs/dbraw/zinc/04/43/27/377044327.db2.gz OZSADEUMVZVLNJ-CYBMUJFWSA-N 0 3 291.461 1.283 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1cccnc1 ZINC000159974560 139908138 /nfs/dbraw/zinc/90/81/38/139908138.db2.gz WQNNEBFPBDBXTK-ZOWXZIJZSA-N 0 3 275.352 1.553 10 70 CDIEHN C[C@@H]1CN(c2ccnc3ccccc32)CCS1(=O)=O ZINC000160730216 288270567 /nfs/dbraw/zinc/27/05/67/288270567.db2.gz VNWRPGDCEQRAED-LLVKDONJSA-N 0 3 276.361 1.858 10 70 CDIEHN COc1cc(NC(=O)C(C)(C)N2CCNCC2)ccc1F ZINC000160351614 292785072 /nfs/dbraw/zinc/78/50/72/292785072.db2.gz KFWHOQFUFJKKGY-UHFFFAOYSA-N 0 3 295.358 1.457 10 70 CDIEHN Cc1nnc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)s1 ZINC000160898815 362536838 /nfs/dbraw/zinc/53/68/38/362536838.db2.gz GFZDTIBWISQBPS-MWODSPESSA-N 0 3 296.396 1.318 10 70 CDIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cccc(Cl)n1 ZINC000160349176 188467494 /nfs/dbraw/zinc/46/74/94/188467494.db2.gz MUIACIUNTPNQCD-NSHDSACASA-N 0 3 297.786 1.312 10 70 CDIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(F)cc1 ZINC000160672178 364392653 /nfs/dbraw/zinc/39/26/53/364392653.db2.gz AHJRYWZYSMXZIA-AWEZNQCLSA-N 0 3 280.343 1.402 10 70 CDIEHN CCC[C@@H](C(=O)NCCCOCC1CC1)N(C)C ZINC000161289139 292803916 /nfs/dbraw/zinc/80/39/16/292803916.db2.gz RQSVKBPJKGXLJC-ZDUSSCGKSA-N 0 3 256.390 1.650 10 70 CDIEHN CCn1cnnc1[C@@H]1CCCN(CCC(=O)OC)C1 ZINC000161420213 523595891 /nfs/dbraw/zinc/59/58/91/523595891.db2.gz BSWUPWYVHHNIHN-LLVKDONJSA-N 0 3 266.345 1.041 10 70 CDIEHN CC(C)N(CCOCCO)CCc1nccs1 ZINC000159941988 528910792 /nfs/dbraw/zinc/91/07/92/528910792.db2.gz VHIIIMDIEJGVDC-UHFFFAOYSA-N 0 3 258.387 1.405 10 70 CDIEHN CCc1nc(CN2CCC[C@H](Cc3nccn3C)C2)n[nH]1 ZINC000160147578 362039768 /nfs/dbraw/zinc/03/97/68/362039768.db2.gz RDQSLKWZHHZBEO-GFCCVEGCSA-N 0 3 288.399 1.555 10 70 CDIEHN Cc1ccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)nc1 ZINC000160062930 362391351 /nfs/dbraw/zinc/39/13/51/362391351.db2.gz HAGHFAGXJAWELI-DETPVDSQSA-N 0 3 289.379 1.861 10 70 CDIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H](O)c2ccccc2)C1 ZINC000161328935 364479376 /nfs/dbraw/zinc/47/93/76/364479376.db2.gz MZFVUMOVOVJSJC-VHDGCEQUSA-N 0 3 276.380 1.565 10 70 CDIEHN CC[C@H](N[C@@H](C)c1ccccc1-n1cccn1)C(N)=O ZINC000160826165 391572903 /nfs/dbraw/zinc/57/29/03/391572903.db2.gz QDZQAATWGWVWDC-AAEUAGOBSA-N 0 3 272.352 1.787 10 70 CDIEHN Cc1noc([C@H]2COCCN2CCN2CCCCC2)n1 ZINC000161148042 302856419 /nfs/dbraw/zinc/85/64/19/302856419.db2.gz YCTLYIMOSAZAJW-CYBMUJFWSA-N 0 3 280.372 1.237 10 70 CDIEHN CCNC(=O)CCN1CCC[C@@H](c2nncn2CC)C1 ZINC000161270899 521735696 /nfs/dbraw/zinc/73/56/96/521735696.db2.gz SRQHIMCMSCMQAT-GFCCVEGCSA-N 0 3 279.388 1.004 10 70 CDIEHN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@H](C)N)C2)cc1 ZINC000161310472 525258227 /nfs/dbraw/zinc/25/82/27/525258227.db2.gz QNQAVPCXMIRZSD-NTZNESFSSA-N 0 3 262.353 1.747 10 70 CDIEHN COc1ccccc1CN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000159655788 361763528 /nfs/dbraw/zinc/76/35/28/361763528.db2.gz MOLJQNFVDRUTTL-WCQYABFASA-N 0 3 262.353 1.781 10 70 CDIEHN CN(C[C@H]1CCCO1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160734500 346281494 /nfs/dbraw/zinc/28/14/94/346281494.db2.gz OWVCWJCDWCHYTM-UONOGXRCSA-N 0 3 281.400 1.291 10 70 CDIEHN OC[C@H](O)CNCc1ccc(Br)c(F)c1 ZINC000161329409 362931765 /nfs/dbraw/zinc/93/17/65/362931765.db2.gz AXZAZKIYQLXYJH-MRVPVSSYSA-N 0 3 278.121 1.031 10 70 CDIEHN CN(CC1CC1)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000159390393 364196545 /nfs/dbraw/zinc/19/65/45/364196545.db2.gz YSJQRRWLFOZPGJ-CYBMUJFWSA-N 0 3 262.357 1.257 10 70 CDIEHN COCC[C@@H](C)NCc1cn(C)nc1C(F)(F)F ZINC000159799103 364267575 /nfs/dbraw/zinc/26/75/75/364267575.db2.gz CNQFOWZLWFCWCQ-MRVPVSSYSA-N 0 3 265.279 1.954 10 70 CDIEHN CC(C)[C@@H](C(=O)Nc1ccc(N(C)C)nc1)N(C)C ZINC000161423768 364490339 /nfs/dbraw/zinc/49/03/39/364490339.db2.gz CRSDRJWJXOQZSY-ZDUSSCGKSA-N 0 3 264.373 1.672 10 70 CDIEHN CC(C)(N)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000160142136 377051190 /nfs/dbraw/zinc/05/11/90/377051190.db2.gz FXKYNROSBVWKKZ-GFCCVEGCSA-N 0 3 275.352 1.036 10 70 CDIEHN C[C@@H]1CCCN1C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160281108 296404646 /nfs/dbraw/zinc/40/46/46/296404646.db2.gz QHCWHHOSRXSYEL-MCYUEQNJSA-N 0 3 266.385 1.530 10 70 CDIEHN CC(C)OC(=O)CCN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160483863 391510608 /nfs/dbraw/zinc/51/06/08/391510608.db2.gz KEQFMMWJODHOSQ-HIFRSBDPSA-N 0 3 269.385 1.955 10 70 CDIEHN CCn1cnnc1[C@H]1CCCN(CCC(=O)OC)C1 ZINC000161420343 523604366 /nfs/dbraw/zinc/60/43/66/523604366.db2.gz BSWUPWYVHHNIHN-NSHDSACASA-N 0 3 266.345 1.041 10 70 CDIEHN CCCC(O)(CCC)CC(=O)NC[C@@H]1CCCN1C ZINC000160563549 528005755 /nfs/dbraw/zinc/00/57/55/528005755.db2.gz AHBQFDAMAYNHQD-ZDUSSCGKSA-N 0 3 270.417 1.918 10 70 CDIEHN C[C@H](NCCO)c1ccc(-n2cncn2)cc1Cl ZINC000159703408 361810108 /nfs/dbraw/zinc/81/01/08/361810108.db2.gz VJPLAQUAQDBWKL-VIFPVBQESA-N 0 3 266.732 1.564 10 70 CDIEHN CCN1CCCN(C(=O)NCc2cscn2)CC1 ZINC000159784276 361847446 /nfs/dbraw/zinc/84/74/46/361847446.db2.gz USDUAXRUICYLDX-UHFFFAOYSA-N 0 3 268.386 1.380 10 70 CDIEHN CCC[C@H](C(=O)N1CCN(c2nccs2)CC1)N(C)C ZINC000161371755 539117660 /nfs/dbraw/zinc/11/76/60/539117660.db2.gz JXUSSOJPLCRLIM-GFCCVEGCSA-N 0 3 296.440 1.522 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC(C1CC1)C1CC1 ZINC000160346189 362415870 /nfs/dbraw/zinc/41/58/70/362415870.db2.gz NPNOEMUHYZGMRH-QEORTHHSSA-N 0 3 292.423 1.824 10 70 CDIEHN CC[C@@H](C(=O)NCc1nc2c(cccc2C)[nH]1)N(C)C ZINC000160296043 363803295 /nfs/dbraw/zinc/80/32/95/363803295.db2.gz HDAWMKDSQJMJGJ-LBPRGKRZSA-N 0 3 274.368 1.828 10 70 CDIEHN CC[C@@H](C(=O)NCc1nc2cccc(C)c2[nH]1)N(C)C ZINC000160296043 363803298 /nfs/dbraw/zinc/80/32/98/363803298.db2.gz HDAWMKDSQJMJGJ-LBPRGKRZSA-N 0 3 274.368 1.828 10 70 CDIEHN CCC(=O)N1CC[C@@H](C(=O)N[C@H](CC(C)C)CN(C)C)C1 ZINC000160363448 363826148 /nfs/dbraw/zinc/82/61/48/363826148.db2.gz SJTKWJFHEGYDDX-ZIAGYGMSSA-N 0 3 297.443 1.337 10 70 CDIEHN CCC[C@H](C(=O)NC1CCN(C2CC2)CC1)N(C)C ZINC000161367040 377601594 /nfs/dbraw/zinc/60/15/94/377601594.db2.gz OXDRNJZBZZTAOB-CQSZACIVSA-N 0 3 267.417 1.460 10 70 CDIEHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cnn(C(C)(C)C)c1 ZINC000159696899 390976246 /nfs/dbraw/zinc/97/62/46/390976246.db2.gz OMWVWIBCCIVKMY-AAEUAGOBSA-N 0 3 278.400 1.724 10 70 CDIEHN CCOc1cccc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)n1 ZINC000159596787 361745945 /nfs/dbraw/zinc/74/59/45/361745945.db2.gz PZQLLSCKYIFYAY-RYUDHWBXSA-N 0 3 277.368 1.566 10 70 CDIEHN NC1(C(=O)NC[C@@H]2CCCC[C@H]2O)Cc2ccccc2C1 ZINC000159620661 361756289 /nfs/dbraw/zinc/75/62/89/361756289.db2.gz ZUXSVVGEFGPKSK-LSDHHAIUSA-N 0 3 288.391 1.150 10 70 CDIEHN Cc1cccc(C(=O)N2CCN(CCN(C)C)CC2)c1F ZINC000161418906 362963240 /nfs/dbraw/zinc/96/32/40/362963240.db2.gz XDGJCAKSQSWBJD-UHFFFAOYSA-N 0 3 293.386 1.454 10 70 CDIEHN CCC[C@@H](C(=O)NC[C@H](O)c1ccc(C)cc1)N(C)C ZINC000160034987 364297810 /nfs/dbraw/zinc/29/78/10/364297810.db2.gz SKKJFAFSHREQFF-GJZGRUSLSA-N 0 3 278.396 1.875 10 70 CDIEHN Cc1cccc(C)c1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160557869 364373941 /nfs/dbraw/zinc/37/39/41/364373941.db2.gz WJKWKPAYRZITME-HNNXBMFYSA-N 0 3 290.407 1.880 10 70 CDIEHN CC(C)N(C)C(=O)[C@@H](C)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160581740 391547176 /nfs/dbraw/zinc/54/71/76/391547176.db2.gz RYTAMDAIQXQKFB-IIAWOOMASA-N 0 3 282.428 1.869 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NC(C1CC1)C1CC1 ZINC000160346463 281461933 /nfs/dbraw/zinc/46/19/33/281461933.db2.gz NPNOEMUHYZGMRH-MRRJBJDNSA-N 0 3 292.423 1.824 10 70 CDIEHN C[C@@H]1C[C@@H]1CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160813438 525315113 /nfs/dbraw/zinc/31/51/13/525315113.db2.gz OVNMTVOKXJTUJP-XRHZXQNYSA-N 0 3 266.385 1.291 10 70 CDIEHN CCCn1cc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)cn1 ZINC000159595152 361745521 /nfs/dbraw/zinc/74/55/21/361745521.db2.gz PLEQWSJGWZXPNK-AAEUAGOBSA-N 0 3 264.373 1.379 10 70 CDIEHN C[C@@H]1CCCCN1C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000159956309 362382763 /nfs/dbraw/zinc/38/27/63/362382763.db2.gz MZGSPQYYKGMOLV-NFFDBFGFSA-N 0 3 280.412 1.920 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N1CCCCCC1 ZINC000159972629 362383024 /nfs/dbraw/zinc/38/30/24/362383024.db2.gz CIUYFHIHEWZLEH-IOASZLSFSA-N 0 3 280.412 1.922 10 70 CDIEHN CCN1CCC[C@@H](NC(=O)NCC2(C3CC3)CC2)C1 ZINC000159739082 363248648 /nfs/dbraw/zinc/24/86/48/363248648.db2.gz ZBKDBDKKSALYQD-CYBMUJFWSA-N 0 3 265.401 1.960 10 70 CDIEHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cnc2ccccn12 ZINC000159769222 363288982 /nfs/dbraw/zinc/28/89/82/363288982.db2.gz GTKCXACYJWYELK-NEPJUHHUSA-N 0 3 272.352 1.420 10 70 CDIEHN CC(C)CN(C)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160107324 278826146 /nfs/dbraw/zinc/82/61/46/278826146.db2.gz LYJNRFDNPMYASP-TYNCELHUSA-N 0 3 268.401 1.633 10 70 CDIEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@](C)(O)C1 ZINC000160471558 292787620 /nfs/dbraw/zinc/78/76/20/292787620.db2.gz FCKXAYAJTCQJKT-HIFRSBDPSA-N 0 3 285.432 1.519 10 70 CDIEHN C[C@@H]1CN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CCCO1 ZINC000160482741 524849628 /nfs/dbraw/zinc/84/96/28/524849628.db2.gz PAMVKDUZSVXXNJ-NFFDBFGFSA-N 0 3 296.411 1.156 10 70 CDIEHN CCC(C)(C)NC(=O)CN1CCN(c2ccncc2)CC1 ZINC000161390788 539117583 /nfs/dbraw/zinc/11/75/83/539117583.db2.gz QMRBFYPQDDWSFT-UHFFFAOYSA-N 0 3 290.411 1.508 10 70 CDIEHN CCC[C@H](C(=O)N1CCN(CCOC)[C@H](CC)C1)N(C)C ZINC000160924914 362211560 /nfs/dbraw/zinc/21/15/60/362211560.db2.gz RKRLXKUARROISH-HUUCEWRRSA-N 0 3 299.459 1.286 10 70 CDIEHN CC[C@H](C)OCC(=O)N(C)C[C@H]1CCCN1CC ZINC000159997557 363562925 /nfs/dbraw/zinc/56/29/25/363562925.db2.gz FAAGQQDVMSYEHH-QWHCGFSZSA-N 0 3 256.390 1.744 10 70 CDIEHN COc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160029717 533333420 /nfs/dbraw/zinc/33/34/20/533333420.db2.gz KTEOZXJAKAILCD-AWEZNQCLSA-N 0 3 292.379 1.272 10 70 CDIEHN CCC[C@@H](C(=O)NCCN1CCCCCC1)N(C)C ZINC000159869924 292772132 /nfs/dbraw/zinc/77/21/32/292772132.db2.gz UQJJXHRKGGHQNU-AWEZNQCLSA-N 0 3 269.433 1.709 10 70 CDIEHN CCCCN(C)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160000758 362387097 /nfs/dbraw/zinc/38/70/97/362387097.db2.gz TXZWHVCLLFLGDO-TYNCELHUSA-N 0 3 268.401 1.777 10 70 CDIEHN C[C@H]1CCCN(S(=O)(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000217839768 140165160 /nfs/dbraw/zinc/16/51/60/140165160.db2.gz NZCUBNGWNQRSLG-GXTWGEPZSA-N 0 3 297.424 1.253 10 70 CDIEHN CC[C@@H](N[C@H](C)c1ccc(-n2ccnn2)cc1)C(N)=O ZINC000159904206 292772921 /nfs/dbraw/zinc/77/29/21/292772921.db2.gz ZJDDPUPQIBEAPW-ZWNOBZJWSA-N 0 3 273.340 1.182 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCC1CCOCC1 ZINC000160522690 520647474 /nfs/dbraw/zinc/64/74/74/520647474.db2.gz JSYPFRNAFWQIRD-ZENOOKHLSA-N 0 3 296.411 1.062 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N[C@H]1CC=CCC1 ZINC000160618709 342073054 /nfs/dbraw/zinc/07/30/54/342073054.db2.gz HCCZOESSRMIBOM-JFILPPLUSA-N 0 3 278.396 1.744 10 70 CDIEHN CO[C@H](C)[C@H](C)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000161166795 362443637 /nfs/dbraw/zinc/44/36/37/362443637.db2.gz WRKHJUBFLCHHOO-GARJFASQSA-N 0 3 286.397 1.408 10 70 CDIEHN CC(C)N(CCc1nccs1)CC1(CO)COC1 ZINC000159927319 363467965 /nfs/dbraw/zinc/46/79/65/363467965.db2.gz NGMMDGBSFMGJCH-UHFFFAOYSA-N 0 3 270.398 1.405 10 70 CDIEHN Cc1cccc(C(=O)NC[C@H](O)CN2CCCCC2)c1F ZINC000160320259 364334957 /nfs/dbraw/zinc/33/49/57/364334957.db2.gz ROJGXPGSJCOFCR-ZDUSSCGKSA-N 0 3 294.370 1.711 10 70 CDIEHN CSc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)o1 ZINC000160035140 364297827 /nfs/dbraw/zinc/29/78/27/364297827.db2.gz KCWQQEYGGRIKQS-NSHDSACASA-N 0 3 298.408 1.578 10 70 CDIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cccc(F)c1F ZINC000160115976 364307608 /nfs/dbraw/zinc/30/76/08/364307608.db2.gz NDJNUVNBNGGBRL-NSHDSACASA-N 0 3 298.333 1.541 10 70 CDIEHN CCC(C)(C)NC(=O)CNCC(CC)(CC)C(=O)OC ZINC000159664556 292764549 /nfs/dbraw/zinc/76/45/49/292764549.db2.gz XSNHYSTWHBOAOP-UHFFFAOYSA-N 0 3 286.416 1.860 10 70 CDIEHN COCCNCC(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000159638893 523931678 /nfs/dbraw/zinc/93/16/78/523931678.db2.gz HEPMQYPPNIMONE-AWEZNQCLSA-N 0 3 278.396 1.620 10 70 CDIEHN COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@H](C)N)C2)cc1 ZINC000161310610 525263472 /nfs/dbraw/zinc/26/34/72/525263472.db2.gz QNQAVPCXMIRZSD-GMXVVIOVSA-N 0 3 262.353 1.747 10 70 CDIEHN OC1C[C@H]2CC[C@@H](C1)N2Cc1cnc2ccccn12 ZINC000160358578 363833377 /nfs/dbraw/zinc/83/33/77/363833377.db2.gz RCWPTNIDSBTTCF-ONXXMXGDSA-N 0 3 257.337 1.822 10 70 CDIEHN CCN(CCc1nccs1)CC[C@H]1CCOC1=O ZINC000159404048 364200126 /nfs/dbraw/zinc/20/01/26/364200126.db2.gz JPJPREHIBSYJQF-NSHDSACASA-N 0 3 268.382 1.961 10 70 CDIEHN CCC[C@H](C(=O)NC[C@H](O)c1ccc(C)cc1)N(C)C ZINC000160035083 364297383 /nfs/dbraw/zinc/29/73/83/364297383.db2.gz SKKJFAFSHREQFF-CABCVRRESA-N 0 3 278.396 1.875 10 70 CDIEHN CCC[C@@H](C(=O)NCc1ccc(NC(N)=O)cc1)N(C)C ZINC000161374703 364486289 /nfs/dbraw/zinc/48/62/89/364486289.db2.gz VHBAUQJTDHENGS-ZDUSSCGKSA-N 0 3 292.383 1.524 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NC1CCSCC1 ZINC000160881158 275888702 /nfs/dbraw/zinc/88/87/02/275888702.db2.gz MQAZFIYAGVUTAN-JMSVASOKSA-N 0 3 298.452 1.531 10 70 CDIEHN C[C@H](C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21)C1CCOCC1 ZINC000160381294 278139440 /nfs/dbraw/zinc/13/94/40/278139440.db2.gz RPWXSRMHHUOJCW-IMJJTQAJSA-N 0 3 294.439 1.992 10 70 CDIEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1 ZINC000160596892 289313327 /nfs/dbraw/zinc/31/33/27/289313327.db2.gz FEHBOOAOYLWGAH-MCIONIFRSA-N 0 3 281.400 1.290 10 70 CDIEHN C[C@@H]1CCCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000159970084 362383837 /nfs/dbraw/zinc/38/38/37/362383837.db2.gz CAEPEDORKVURMN-NFFDBFGFSA-N 0 3 280.412 1.777 10 70 CDIEHN CC1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000159946375 362381445 /nfs/dbraw/zinc/38/14/45/362381445.db2.gz DIFMLBQAPZCTBD-DVOMOZLQSA-N 0 3 280.412 1.777 10 70 CDIEHN CCN1CCC[C@H](NC(=O)N(C)CC2CCOCC2)C1 ZINC000159768395 363288585 /nfs/dbraw/zinc/28/85/85/363288585.db2.gz QPKNRCONKPTOQP-AWEZNQCLSA-N 0 3 283.416 1.539 10 70 CDIEHN CCC[C@H](C)NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000159985372 482774048 /nfs/dbraw/zinc/77/40/48/482774048.db2.gz UAGYTQBRFZTPNG-OZTPJHRESA-N 0 3 268.401 1.824 10 70 CDIEHN O=C1C[C@@H](c2ccccc2)N(CCOCC2CC2)CCN1 ZINC000159481711 237148645 /nfs/dbraw/zinc/14/86/45/237148645.db2.gz ZMLNSMVZTBWQJI-INIZCTEOSA-N 0 3 288.391 1.976 10 70 CDIEHN COC[C@@](C)(CCO)NCCC(=O)c1ccc(C)cc1 ZINC000160107371 364307750 /nfs/dbraw/zinc/30/77/50/364307750.db2.gz HJOQUDAYYHXXFU-MRXNPFEDSA-N 0 3 279.380 1.945 10 70 CDIEHN CCc1ncc(NC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cn1 ZINC000161152436 367336966 /nfs/dbraw/zinc/33/69/66/367336966.db2.gz AMTRVLWWZKVRQY-YPMHNXCESA-N 0 3 291.399 1.985 10 70 CDIEHN CCC[C@@H](C(=O)NCc1ccc(OC)nc1)N(C)C ZINC000161358430 377601454 /nfs/dbraw/zinc/60/14/54/377601454.db2.gz CBUJLINPHGXVFC-LBPRGKRZSA-N 0 3 265.357 1.437 10 70 CDIEHN Cc1nsc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)n1 ZINC000160910395 482839803 /nfs/dbraw/zinc/83/98/03/482839803.db2.gz NQTUJJCZCRFHEJ-MWODSPESSA-N 0 3 296.396 1.318 10 70 CDIEHN CCN[C@H](C)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000216815294 483014691 /nfs/dbraw/zinc/01/46/91/483014691.db2.gz QJQVOFZLICIBTM-UIBFTYAWSA-N 0 3 250.386 1.925 10 70 CDIEHN C[C@@H]1CN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CCS1 ZINC000160883438 524849198 /nfs/dbraw/zinc/84/91/98/524849198.db2.gz XUHLRXGGTGUCKX-MCYUEQNJSA-N 0 3 298.452 1.483 10 70 CDIEHN CN(C)CCn1cc(NC(=O)N(C)CCC2CC2)cn1 ZINC000159473124 539114178 /nfs/dbraw/zinc/11/41/78/539114178.db2.gz LCKDCYNKOKJPGG-UHFFFAOYSA-N 0 3 279.388 1.709 10 70 CDIEHN COc1cc(CNC(C)(C)[C@@H](C)O)cc2c1OCCO2 ZINC000161128847 362274933 /nfs/dbraw/zinc/27/49/33/362274933.db2.gz SGEMWLFMYAPMQH-SNVBAGLBSA-N 0 3 281.352 1.715 10 70 CDIEHN C[C@@H]1C[C@H]1NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160454598 361456163 /nfs/dbraw/zinc/45/61/63/361456163.db2.gz YAVWYYLIGVGLMT-XXUISHGZSA-N 0 3 252.358 1.044 10 70 CDIEHN C[C@H](CNC(=O)c1cnc2c(c1)ncn2C)N(C)C1CC1 ZINC000160356762 364032951 /nfs/dbraw/zinc/03/29/51/364032951.db2.gz QZDCSWFSRIHDAW-SNVBAGLBSA-N 0 3 287.367 1.181 10 70 CDIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccccc1F ZINC000160603141 364381098 /nfs/dbraw/zinc/38/10/98/364381098.db2.gz XWYMNJBCUDRGNP-LBPRGKRZSA-N 0 3 280.343 1.402 10 70 CDIEHN CN(C)Cc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1 ZINC000159633456 390940467 /nfs/dbraw/zinc/94/04/67/390940467.db2.gz NLQCIVKLNFSCHE-IYBDPMFKSA-N 0 3 287.407 1.715 10 70 CDIEHN COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@@H](C)N)C2)cc1 ZINC000161311618 277929221 /nfs/dbraw/zinc/92/92/21/277929221.db2.gz QNQAVPCXMIRZSD-DMDPSCGWSA-N 0 3 262.353 1.747 10 70 CDIEHN CCC[C@H](C(=O)N1CCN(C(=O)OCC)CC1)N(C)C ZINC000161168891 292801177 /nfs/dbraw/zinc/80/11/77/292801177.db2.gz OIEWEIDTWIOJHK-GFCCVEGCSA-N 0 3 285.388 1.017 10 70 CDIEHN CO[C@H](C)[C@@H](C)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000161167042 294318717 /nfs/dbraw/zinc/31/87/17/294318717.db2.gz WRKHJUBFLCHHOO-OUAUKWLOSA-N 0 3 286.397 1.408 10 70 CDIEHN CCOCCS(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000160265973 528856234 /nfs/dbraw/zinc/85/62/34/528856234.db2.gz MJXPHHWHQUEOKK-CYBMUJFWSA-N 0 3 292.445 1.063 10 70 CDIEHN Cc1ncsc1CN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000159673006 363181513 /nfs/dbraw/zinc/18/15/13/363181513.db2.gz LZQIHEFFXRWGRT-WCBMZHEXSA-N 0 3 253.371 1.537 10 70 CDIEHN Cc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)c(C)n1 ZINC000160047429 237163175 /nfs/dbraw/zinc/16/31/75/237163175.db2.gz JCDRKHWZIOPVME-CQSZACIVSA-N 0 3 291.395 1.275 10 70 CDIEHN Cc1c(C(=O)N2CC[C@@H](N(C)C)C2)cnn1CC(C)C ZINC000161373895 364486242 /nfs/dbraw/zinc/48/62/42/364486242.db2.gz AQMRBBUCHOYBAW-CYBMUJFWSA-N 0 3 278.400 1.624 10 70 CDIEHN C[C@H](NC[C@@H](CO)c1ccccc1)c1cnccn1 ZINC000161481603 364500360 /nfs/dbraw/zinc/50/03/60/364500360.db2.gz APZRJBPXDJWGRL-JSGCOSHPSA-N 0 3 257.337 1.903 10 70 CDIEHN CC1CC(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000160821611 281707599 /nfs/dbraw/zinc/70/75/99/281707599.db2.gz ZVLFVVHJROOXMI-FGVFJNBHSA-N 0 3 266.385 1.434 10 70 CDIEHN COC[C@@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159874640 292772919 /nfs/dbraw/zinc/77/29/19/292772919.db2.gz AFPAREKAABCOIF-VXGBXAGGSA-N 0 3 260.341 1.953 10 70 CDIEHN CCC[C@@H](C(=O)NCCCN1CCCCCC1=O)N(C)C ZINC000161298921 292803837 /nfs/dbraw/zinc/80/38/37/292803837.db2.gz DGIQUNFTYBFQCK-AWEZNQCLSA-N 0 3 297.443 1.626 10 70 CDIEHN CCOC(=O)CCCN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160730151 520640249 /nfs/dbraw/zinc/64/02/49/520640249.db2.gz IYSNDGVRIASWEL-HIFRSBDPSA-N 0 3 269.385 1.957 10 70 CDIEHN COc1cccc(F)c1[C@@H](C)NC(=O)[C@]1(F)CCNC1 ZINC000161054977 526122872 /nfs/dbraw/zinc/12/28/72/526122872.db2.gz UYAUSHVQPNNTIH-OTYXRUKQSA-N 0 3 284.306 1.713 10 70 CDIEHN CC(C)N(CCc1nccs1)CCN1C(=O)CCC1=O ZINC000159861974 528914822 /nfs/dbraw/zinc/91/48/22/528914822.db2.gz AZESQIORPFBJDQ-UHFFFAOYSA-N 0 3 295.408 1.545 10 70 CDIEHN C[C@@H](O)CN1CCN(Cc2cnc3ccccn23)C[C@H]1C ZINC000159939940 361955470 /nfs/dbraw/zinc/95/54/70/361955470.db2.gz CAUZUIIBLBLWMO-ZIAGYGMSSA-N 0 3 288.395 1.221 10 70 CDIEHN Cc1nn(C)c2ncc(CNC(C)(C)[C@H](C)O)cc12 ZINC000161127839 362273330 /nfs/dbraw/zinc/27/33/30/362273330.db2.gz DWYUAAUHGQAELP-JTQLQIEISA-N 0 3 262.357 1.526 10 70 CDIEHN COCc1ccc(CN2C[C@H](C(N)=O)CC[C@@H]2C)o1 ZINC000159518505 361726957 /nfs/dbraw/zinc/72/69/57/361726957.db2.gz KRLWLVXVUFZQQS-WDEREUQCSA-N 0 3 266.341 1.512 10 70 CDIEHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000160549974 363997620 /nfs/dbraw/zinc/99/76/20/363997620.db2.gz WHQBGPZVLFVBNC-STQMWFEESA-N 0 3 297.443 1.480 10 70 CDIEHN COc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CN(C)CCO1 ZINC000217762272 367258198 /nfs/dbraw/zinc/25/81/98/367258198.db2.gz NLFCUNGZWSOOMF-WBVHZDCISA-N 0 3 290.407 1.993 10 70 CDIEHN CC(C)(N)C(=O)NCc1ccccc1OC1CCC1 ZINC000161198886 377160636 /nfs/dbraw/zinc/16/06/36/377160636.db2.gz TYWQFXDSHTXCRP-UHFFFAOYSA-N 0 3 262.353 1.971 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ccccc1O ZINC000160557220 520646295 /nfs/dbraw/zinc/64/62/95/520646295.db2.gz FSXANOKCPHNLNQ-WNMQOVRZSA-N 0 3 290.363 1.863 10 70 CDIEHN CC[C@](C)(O)CN(C)Cc1ccc(OC)c(O)c1 ZINC000161507803 529372971 /nfs/dbraw/zinc/37/29/71/529372971.db2.gz HNTBPEOAERGACE-AWEZNQCLSA-N 0 3 253.342 1.994 10 70 CDIEHN Cc1ccnc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000160068475 362392662 /nfs/dbraw/zinc/39/26/62/362392662.db2.gz WNZNAMPAINBRLA-PVXIVEMSSA-N 0 3 289.379 1.861 10 70 CDIEHN C[C@@H]1C[C@@H](NC(=O)c2cnc3c(c2)ncn3C)CN1C1CC1 ZINC000159956344 362791216 /nfs/dbraw/zinc/79/12/16/362791216.db2.gz GJUMMYIYYQQRAV-ZYHUDNBSSA-N 0 3 299.378 1.323 10 70 CDIEHN CCC(=O)N1CC[C@H](C(=O)N[C@@H](CC(C)C)CN(C)C)C1 ZINC000160363044 363826430 /nfs/dbraw/zinc/82/64/30/363826430.db2.gz SJTKWJFHEGYDDX-KBPBESRZSA-N 0 3 297.443 1.337 10 70 CDIEHN CNc1snc(C)c1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000161228331 364466120 /nfs/dbraw/zinc/46/61/20/364466120.db2.gz BYHRQQPKBJBRHX-GXSJLCMTSA-N 0 3 296.440 1.952 10 70 CDIEHN CN1CCC[C@H]1CNCc1nn(C)c2ccccc12 ZINC000218141324 375794696 /nfs/dbraw/zinc/79/46/96/375794696.db2.gz LQVKYINUQHZYBK-LBPRGKRZSA-N 0 3 258.369 1.757 10 70 CDIEHN CCC[C@@H](C(=O)N1CCN(C(C)C)CC1)N(C)C ZINC000159796301 292769366 /nfs/dbraw/zinc/76/93/66/292769366.db2.gz VMWNEXMXWNWOAG-ZDUSSCGKSA-N 0 3 255.406 1.269 10 70 CDIEHN COc1cccc(F)c1[C@H](C)NC(=O)[C@@]1(F)CCNC1 ZINC000161055104 526125193 /nfs/dbraw/zinc/12/51/93/526125193.db2.gz UYAUSHVQPNNTIH-LKFCYVNXSA-N 0 3 284.306 1.713 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCC1CC1 ZINC000160615591 362456772 /nfs/dbraw/zinc/45/67/72/362456772.db2.gz KTQMWTLWOPZULS-ZOWXZIJZSA-N 0 3 266.385 1.435 10 70 CDIEHN CN(C)CCN(C(=O)NCc1ccnn1C)C1CCCC1 ZINC000160663904 358492619 /nfs/dbraw/zinc/49/26/19/358492619.db2.gz BXZCJZXXMBPLDR-UHFFFAOYSA-N 0 3 293.415 1.436 10 70 CDIEHN C[C@H](CO)N(C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000160567935 364375481 /nfs/dbraw/zinc/37/54/81/364375481.db2.gz NISIERBYRPWSIF-CYBMUJFWSA-N 0 3 276.380 1.735 10 70 CDIEHN CC[C@@](C)(O)CN1CCN([C@H](C)c2cccnc2)CC1 ZINC000161228462 364466390 /nfs/dbraw/zinc/46/63/90/364466390.db2.gz ZUCYHCYUFOOAOZ-GDBMZVCRSA-N 0 3 277.412 1.921 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ccncc1 ZINC000160043455 375439847 /nfs/dbraw/zinc/43/98/47/375439847.db2.gz ILLCPZQDENVRRH-JMSVASOKSA-N 0 3 275.352 1.553 10 70 CDIEHN Cc1noc([C@@H]2COCCN2CCN2CCCCC2)n1 ZINC000161147934 391582030 /nfs/dbraw/zinc/58/20/30/391582030.db2.gz YCTLYIMOSAZAJW-ZDUSSCGKSA-N 0 3 280.372 1.237 10 70 CDIEHN COC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)C1 ZINC000217407847 140163317 /nfs/dbraw/zinc/16/33/17/140163317.db2.gz MLKYRJHCYOBVEG-XDQVBPFNSA-N 0 3 296.411 1.659 10 70 CDIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(Cl)o1 ZINC000160623087 261220953 /nfs/dbraw/zinc/22/09/53/261220953.db2.gz KZNWBIGTBBIZPP-JTQLQIEISA-N 0 3 286.759 1.510 10 70 CDIEHN CCN(C)CCNC(=O)c1cc(Cl)c(N)cc1OC ZINC000218260679 276071021 /nfs/dbraw/zinc/07/10/21/276071021.db2.gz OXVBQKOILMTSEG-UHFFFAOYSA-N 0 3 285.775 1.612 10 70 CDIEHN CC(C)CN(C)C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000160107563 278826129 /nfs/dbraw/zinc/82/61/29/278826129.db2.gz LYJNRFDNPMYASP-SLEUVZQESA-N 0 3 268.401 1.633 10 70 CDIEHN O=C1CCCN1CCN1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000160526176 526975543 /nfs/dbraw/zinc/97/55/43/526975543.db2.gz VAYMBCRAPRKBOM-ZFWWWQNUSA-N 0 3 266.385 1.236 10 70 CDIEHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)CCCF ZINC000160310336 527980002 /nfs/dbraw/zinc/98/00/02/527980002.db2.gz DSZOZWQGUXRXJT-GFCCVEGCSA-N 0 3 280.409 1.386 10 70 CDIEHN Cc1cc(C)n(CCCNCc2cnn(C)c2C)n1 ZINC000159600720 362346570 /nfs/dbraw/zinc/34/65/70/362346570.db2.gz XUKQIADPHHHDKA-UHFFFAOYSA-N 0 3 261.373 1.722 10 70 CDIEHN COc1cc(Br)ccc1CNCCCO ZINC000159594271 362347048 /nfs/dbraw/zinc/34/70/48/362347048.db2.gz DOJCLROCEKXDTO-UHFFFAOYSA-N 0 3 274.158 1.930 10 70 CDIEHN COc1ccc([C@@H](O)CNCc2cnn(C)c2C)cc1 ZINC000159836109 362375056 /nfs/dbraw/zinc/37/50/56/362375056.db2.gz JDXOSBGMHKPLIZ-HNNXBMFYSA-N 0 3 275.352 1.560 10 70 CDIEHN Cc1cc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)n(C)n1 ZINC000160040802 362387999 /nfs/dbraw/zinc/38/79/99/362387999.db2.gz JVYYCGCPHDIMGJ-ITDIGPHOSA-N 0 3 292.383 1.200 10 70 CDIEHN CC(=O)Nc1ccccc1CNCCn1cc(C)cn1 ZINC000160430030 362423453 /nfs/dbraw/zinc/42/34/53/362423453.db2.gz ODQWXXMYNKPLPG-UHFFFAOYSA-N 0 3 272.352 1.940 10 70 CDIEHN C[C@H](CNC(=O)c1ccc2c(c1)CCN2)N1CCCC1 ZINC000161043818 362520633 /nfs/dbraw/zinc/52/06/33/362520633.db2.gz MFIQBWRHGZGMHG-GFCCVEGCSA-N 0 3 273.380 1.869 10 70 CDIEHN CN1CCC[C@H]1CNC(=O)NCC1(C2CC2)CC1 ZINC000159719147 363214429 /nfs/dbraw/zinc/21/44/29/363214429.db2.gz AEFXFYTYYZAYLK-LBPRGKRZSA-N 0 3 251.374 1.570 10 70 CDIEHN CCC[C@@H](C(=O)N[C@@H](C)CN1CCCCC1)N(C)C ZINC000159902417 363437094 /nfs/dbraw/zinc/43/70/94/363437094.db2.gz YHVSCKMICRGGSG-KBPBESRZSA-N 0 3 269.433 1.707 10 70 CDIEHN CCc1oc(C(=O)NC[C@H](O)CN2CCCCC2)cc1C ZINC000160077814 237165461 /nfs/dbraw/zinc/16/54/61/237165461.db2.gz DXLWIPDCHPBZML-ZDUSSCGKSA-N 0 3 294.395 1.727 10 70 CDIEHN CCc1ccsc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160266486 276696616 /nfs/dbraw/zinc/69/66/16/276696616.db2.gz BNXGBYLMEOMHNU-ZDUSSCGKSA-N 0 3 296.436 1.887 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCc1cscn1 ZINC000160527054 520646323 /nfs/dbraw/zinc/64/63/23/520646323.db2.gz DLUCKCJXCAUMJI-WDMOLILDSA-N 0 3 295.408 1.292 10 70 CDIEHN Cc1csc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)n1 ZINC000160052160 362390899 /nfs/dbraw/zinc/39/08/99/362390899.db2.gz RPXSNDYKNDMLPA-PKFCDNJMSA-N 0 3 295.408 1.923 10 70 CDIEHN C[C@@H]1C[C@H](NC(=O)c2cnc3c(c2)ncn3C)CN1C1CC1 ZINC000159956059 362790595 /nfs/dbraw/zinc/79/05/95/362790595.db2.gz GJUMMYIYYQQRAV-PWSUYJOCSA-N 0 3 299.378 1.323 10 70 CDIEHN CCc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160003375 364292616 /nfs/dbraw/zinc/29/26/16/364292616.db2.gz VSSFGWXEGKVGFG-INIZCTEOSA-N 0 3 290.407 1.826 10 70 CDIEHN CCC[C@@H](C(=O)NCC(=O)OCc1ccccc1)N(C)C ZINC000161209807 364463674 /nfs/dbraw/zinc/46/36/74/364463674.db2.gz QMQWYZUVARHNFN-AWEZNQCLSA-N 0 3 292.379 1.576 10 70 CDIEHN CCC[C@@H](C(=O)NC[C@H](c1ccco1)N(C)C)N(C)C ZINC000161225635 364465706 /nfs/dbraw/zinc/46/57/06/364465706.db2.gz RPMUPZWKNNCZSA-QWHCGFSZSA-N 0 3 281.400 1.729 10 70 CDIEHN C[C@@H](NC[C@H](CO)c1ccccc1)c1cnccn1 ZINC000161482015 364500208 /nfs/dbraw/zinc/50/02/08/364500208.db2.gz APZRJBPXDJWGRL-TZMCWYRMSA-N 0 3 257.337 1.903 10 70 CDIEHN COc1csc(C(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160380411 533165075 /nfs/dbraw/zinc/16/50/75/533165075.db2.gz DSIIYDLWKYSYFQ-NSHDSACASA-N 0 3 298.408 1.333 10 70 CDIEHN CN(C(=O)COC1(C)CNC1)C1C2CC3CC(C2)CC1C3 ZINC000161120211 482861152 /nfs/dbraw/zinc/86/11/52/482861152.db2.gz LHJMLHAPDQKQPA-UHFFFAOYSA-N 0 3 292.423 1.648 10 70 CDIEHN O=C(CCc1ccccc1)NC[C@H](O)CN1CCCCC1 ZINC000160699076 534467517 /nfs/dbraw/zinc/46/75/17/534467517.db2.gz KYHXKYCEMSRJDR-INIZCTEOSA-N 0 3 290.407 1.582 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ccc(O)cc1 ZINC000160216927 362405209 /nfs/dbraw/zinc/40/52/09/362405209.db2.gz FLQMSYKBMINTKX-ZENOOKHLSA-N 0 3 290.363 1.863 10 70 CDIEHN C[C@@H](NC(=O)c1ccc(CN(C)C)cc1)[C@H](C)CO ZINC000160355947 362415921 /nfs/dbraw/zinc/41/59/21/362415921.db2.gz UOHPIEHFSPHIKT-VXGBXAGGSA-N 0 3 264.369 1.495 10 70 CDIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cc(F)cc(F)c1 ZINC000160006711 364293083 /nfs/dbraw/zinc/29/30/83/364293083.db2.gz OLAUHSVDVOGWGW-AWEZNQCLSA-N 0 3 298.333 1.541 10 70 CDIEHN Cc1nc(C)c(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)o1 ZINC000161176614 364459087 /nfs/dbraw/zinc/45/90/87/364459087.db2.gz YYUYSAFUDZJYSD-CABZTGNLSA-N 0 3 265.357 1.750 10 70 CDIEHN CCc1ncc(NC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cn1 ZINC000161207882 364464023 /nfs/dbraw/zinc/46/40/23/364464023.db2.gz NEHQMKDELNZHAU-WCQYABFASA-N 0 3 291.399 1.889 10 70 CDIEHN CCCN(C)S(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000160302175 377056990 /nfs/dbraw/zinc/05/69/90/377056990.db2.gz DETLQMYWNYEGCJ-CYBMUJFWSA-N 0 3 291.461 1.283 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N1CCCCC1 ZINC000160041862 147707584 /nfs/dbraw/zinc/70/75/84/147707584.db2.gz BABLJPQQLSDDAV-JMSVASOKSA-N 0 3 266.385 1.531 10 70 CDIEHN N[C@H](CC(=O)N[C@@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000217719812 414338514 /nfs/dbraw/zinc/33/85/14/414338514.db2.gz GNNCWJMXBNAPIJ-MGPQQGTHSA-N 0 3 262.353 1.496 10 70 CDIEHN C[C@](O)(CO)CNCc1ccc(Cl)c2cccnc12 ZINC000160334332 539082475 /nfs/dbraw/zinc/08/24/75/539082475.db2.gz GCTHUGOSAWQABW-CQSZACIVSA-N 0 3 280.755 1.721 10 70 CDIEHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccc(N(C)C)nc1 ZINC000159681125 539114568 /nfs/dbraw/zinc/11/45/68/539114568.db2.gz OOBQIENVUIAXEP-AAEUAGOBSA-N 0 3 276.384 1.233 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCc1cccnc1 ZINC000160075111 362392708 /nfs/dbraw/zinc/39/27/08/362392708.db2.gz BMTBQXAGDMHCCN-IOASZLSFSA-N 0 3 289.379 1.230 10 70 CDIEHN CCC[C@@H](C(=O)N(C)Cc1cc(C)on1)N(C)C ZINC000161510840 377698285 /nfs/dbraw/zinc/69/82/85/377698285.db2.gz BCYAOAMBYOCKCP-LBPRGKRZSA-N 0 3 253.346 1.672 10 70 CDIEHN CCCCOCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000160336862 392502884 /nfs/dbraw/zinc/50/28/84/392502884.db2.gz VMCSZGLDFBOXHP-HEHGZKQESA-N 0 3 298.427 1.452 10 70 CDIEHN CCN1CCCN(C(=O)NCCCCC(=O)OC)CC1 ZINC000159772803 529022465 /nfs/dbraw/zinc/02/24/65/529022465.db2.gz CICDYLUAFODREP-UHFFFAOYSA-N 0 3 285.388 1.067 10 70 CDIEHN C[C@@H](O)CN1CCN(Cc2cnc3ccccn23)C[C@@H]1C ZINC000159940067 361955400 /nfs/dbraw/zinc/95/54/00/361955400.db2.gz CAUZUIIBLBLWMO-UONOGXRCSA-N 0 3 288.395 1.221 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC1CCSCC1 ZINC000160880896 362528640 /nfs/dbraw/zinc/52/86/40/362528640.db2.gz MQAZFIYAGVUTAN-ZOWXZIJZSA-N 0 3 298.452 1.531 10 70 CDIEHN CN1CCC[C@H]1CNC(=O)NCC1(C2CC2)CCC1 ZINC000159713195 363220015 /nfs/dbraw/zinc/22/00/15/363220015.db2.gz VIJAKHGHFHOJQX-ZDUSSCGKSA-N 0 3 265.401 1.960 10 70 CDIEHN CN(C)C[C@@H](NC(=O)[C@H]1CCCCO1)c1ccccc1 ZINC000160258778 364326160 /nfs/dbraw/zinc/32/61/60/364326160.db2.gz MEYADIJMNZIOAC-HUUCEWRRSA-N 0 3 276.380 1.975 10 70 CDIEHN C[C@@H](CCO)CNC(=O)c1ccccc1OCCN(C)C ZINC000161034741 364440271 /nfs/dbraw/zinc/44/02/71/364440271.db2.gz WPMMJPMRNHLZFT-ZDUSSCGKSA-N 0 3 294.395 1.375 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ccncc1 ZINC000160043218 375439797 /nfs/dbraw/zinc/43/97/97/375439797.db2.gz ILLCPZQDENVRRH-ZOWXZIJZSA-N 0 3 275.352 1.553 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCC[C@@H]1CCCO1 ZINC000160296979 482793788 /nfs/dbraw/zinc/79/37/88/482793788.db2.gz AHHCPJHEZDCOHQ-JFILPPLUSA-N 0 3 296.411 1.204 10 70 CDIEHN COC(CN1CCC(Cn2cccn2)CC1)OC ZINC000160972629 522528960 /nfs/dbraw/zinc/52/89/60/522528960.db2.gz IQORHHHRMDBNKW-UHFFFAOYSA-N 0 3 253.346 1.214 10 70 CDIEHN CCc1nccn1[C@H]1CCCN(CC(OC)OC)C1 ZINC000160979781 522600507 /nfs/dbraw/zinc/60/05/07/522600507.db2.gz YJCNZXQSZHKGRB-LBPRGKRZSA-N 0 3 267.373 1.701 10 70 CDIEHN O=C(NCCCNCc1cccnc1)NC1CCC1 ZINC000160896259 527675907 /nfs/dbraw/zinc/67/59/07/527675907.db2.gz PHIMRPJKWIBHOK-UHFFFAOYSA-N 0 3 262.357 1.413 10 70 CDIEHN CCN1CCC[C@H](NC(=O)N(C)C[C@@H]2CCC[C@@H]2O)C1 ZINC000159886013 529087174 /nfs/dbraw/zinc/08/71/74/529087174.db2.gz YDGDNTJMWHWOSD-IHRRRGAJSA-N 0 3 283.416 1.273 10 70 CDIEHN CCCCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000159993157 362385589 /nfs/dbraw/zinc/38/55/89/362385589.db2.gz UIDPPDYULWIGFN-SLEUVZQESA-N 0 3 268.401 1.825 10 70 CDIEHN CCn1cc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)cn1 ZINC000160157000 362400488 /nfs/dbraw/zinc/40/04/88/362400488.db2.gz XUHRGHKXCKIBDX-SLEUVZQESA-N 0 3 292.383 1.374 10 70 CDIEHN C[C@@H](CNC(=O)c1ccc2c(c1)CCN2)N1CCCC1 ZINC000161043688 362520694 /nfs/dbraw/zinc/52/06/94/362520694.db2.gz MFIQBWRHGZGMHG-LBPRGKRZSA-N 0 3 273.380 1.869 10 70 CDIEHN CN1CCN(c2ccc3ccccc3n2)C[C@@H](O)C1 ZINC000217659356 359017049 /nfs/dbraw/zinc/01/70/49/359017049.db2.gz RXIVICSNPRZFNM-ZDUSSCGKSA-N 0 3 257.337 1.348 10 70 CDIEHN CC[C@](C)(O)CN(C)Cc1ccc(O)c(OC)c1 ZINC000160924696 364429048 /nfs/dbraw/zinc/42/90/48/364429048.db2.gz PZOXHNUZBMLTGI-AWEZNQCLSA-N 0 3 253.342 1.994 10 70 CDIEHN COc1ccc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)cc1O ZINC000159580206 361735715 /nfs/dbraw/zinc/73/57/15/361735715.db2.gz IANVDAMKRYWLKR-JQWIXIFHSA-N 0 3 278.352 1.487 10 70 CDIEHN CC(C)OC(=O)CCCNC(=O)N1CC[C@H](N(C)C)C1 ZINC000160203105 362053886 /nfs/dbraw/zinc/05/38/86/362053886.db2.gz HZMWBFARUXRKHA-LBPRGKRZSA-N 0 3 285.388 1.064 10 70 CDIEHN CC(C)N1C[C@H](NC(=O)N(C)CC2CCOCC2)[C@@H](C)C1 ZINC000159925866 363466817 /nfs/dbraw/zinc/46/68/17/363466817.db2.gz LDULGRYAILGVHD-ZFWWWQNUSA-N 0 3 297.443 1.783 10 70 CDIEHN COCCC1(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)CC1 ZINC000161127777 358788496 /nfs/dbraw/zinc/78/84/96/358788496.db2.gz SLCOIDIAJUAKMX-CQSZACIVSA-N 0 3 293.411 1.459 10 70 CDIEHN C[C@H](CO)[C@H](C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000160356191 361520064 /nfs/dbraw/zinc/52/00/64/361520064.db2.gz UOHPIEHFSPHIKT-NEPJUHHUSA-N 0 3 264.369 1.495 10 70 CDIEHN CCC[C@H](C(=O)NCc1nnc2ccccn21)N(C)C ZINC000161262416 292803208 /nfs/dbraw/zinc/80/32/08/292803208.db2.gz ORZVHACWBRWUSU-LLVKDONJSA-N 0 3 275.356 1.076 10 70 CDIEHN COc1cccc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)c1OC ZINC000159602713 295298151 /nfs/dbraw/zinc/29/81/51/295298151.db2.gz BNWWSUVVCIXPDQ-AAEUAGOBSA-N 0 3 292.379 1.790 10 70 CDIEHN Cc1ccc(NC(=O)COC2(C)CNC2)c(C)c1O ZINC000161109507 482860429 /nfs/dbraw/zinc/86/04/29/482860429.db2.gz DDCKNUFRKQVFDH-UHFFFAOYSA-N 0 3 264.325 1.326 10 70 CDIEHN CCc1cc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)n[nH]1 ZINC000160803682 483065952 /nfs/dbraw/zinc/06/59/52/483065952.db2.gz UUIMGFPGQPYGTK-ITDIGPHOSA-N 0 3 292.383 1.443 10 70 CDIEHN COc1cccc(F)c1[C@@H](C)NC(=O)[C@@]1(F)CCNC1 ZINC000161055242 526122431 /nfs/dbraw/zinc/12/24/31/526122431.db2.gz UYAUSHVQPNNTIH-YMTOWFKASA-N 0 3 284.306 1.713 10 70 CDIEHN CCc1nc(CN2CCC[C@@H](Cc3nccn3C)C2)n[nH]1 ZINC000160147668 362039435 /nfs/dbraw/zinc/03/94/35/362039435.db2.gz RDQSLKWZHHZBEO-LBPRGKRZSA-N 0 3 288.399 1.555 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCc1cccnc1 ZINC000160074833 362392513 /nfs/dbraw/zinc/39/25/13/362392513.db2.gz BMTBQXAGDMHCCN-ZENOOKHLSA-N 0 3 289.379 1.230 10 70 CDIEHN O=C(COc1ccccc1)NC[C@H](O)CN1CCCCC1 ZINC000160201338 364318037 /nfs/dbraw/zinc/31/80/37/364318037.db2.gz OPDAHQOUHPMCAK-AWEZNQCLSA-N 0 3 292.379 1.028 10 70 CDIEHN Cc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)c(C)c1 ZINC000160462968 364355788 /nfs/dbraw/zinc/35/57/88/364355788.db2.gz VBBSDVJXCDZOTO-HNNXBMFYSA-N 0 3 290.407 1.880 10 70 CDIEHN CCC[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(C)C ZINC000161131837 364451003 /nfs/dbraw/zinc/45/10/03/364451003.db2.gz XKPUZWRUCBTEIB-GFCCVEGCSA-N 0 3 278.352 1.762 10 70 CDIEHN CCC[C@H](C(=O)NCc1ccc(NC(N)=O)cc1)N(C)C ZINC000161374815 364486670 /nfs/dbraw/zinc/48/66/70/364486670.db2.gz VHBAUQJTDHENGS-CYBMUJFWSA-N 0 3 292.383 1.524 10 70 CDIEHN CC(C)OC(=O)CCN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160483737 391510827 /nfs/dbraw/zinc/51/08/27/391510827.db2.gz KEQFMMWJODHOSQ-UKRRQHHQSA-N 0 3 269.385 1.955 10 70 CDIEHN COc1cccc(CN2C[C@H](C(N)=O)CC[C@@H]2C)c1OC ZINC000159602981 295298276 /nfs/dbraw/zinc/29/82/76/295298276.db2.gz BNWWSUVVCIXPDQ-WCQYABFASA-N 0 3 292.379 1.790 10 70 CDIEHN O=C1CCCN1CCN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000160526295 526975526 /nfs/dbraw/zinc/97/55/26/526975526.db2.gz VAYMBCRAPRKBOM-DZGCQCFKSA-N 0 3 266.385 1.236 10 70 CDIEHN C[C@@H](NCCO)c1ccc(-n2cncn2)cc1Cl ZINC000159703534 361810155 /nfs/dbraw/zinc/81/01/55/361810155.db2.gz VJPLAQUAQDBWKL-SECBINFHSA-N 0 3 266.732 1.564 10 70 CDIEHN CCN(CCC(=O)NC(C)C)Cc1cnn(C)c1 ZINC000161122300 362680384 /nfs/dbraw/zinc/68/03/84/362680384.db2.gz YSPRYAGHZNNPDH-UHFFFAOYSA-N 0 3 252.362 1.157 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCC(F)(F)F ZINC000160495143 356044412 /nfs/dbraw/zinc/04/44/12/356044412.db2.gz PSJRRLWRBAYCRB-RWEMILLDSA-N 0 3 294.317 1.588 10 70 CDIEHN CCC[C@H](C(=O)NCCCn1ccnc1)N(C)C ZINC000161161857 364456677 /nfs/dbraw/zinc/45/66/77/364456677.db2.gz YKDPNPPOYMZMOA-GFCCVEGCSA-N 0 3 252.362 1.120 10 70 CDIEHN CCC[C@H](C(=O)N1CCC(C(=O)N(C)C)CC1)N(C)C ZINC000161254006 377509515 /nfs/dbraw/zinc/50/95/15/377509515.db2.gz URVFFFCLZQRZPO-CYBMUJFWSA-N 0 3 283.416 1.044 10 70 CDIEHN CCC[C@@H](C(=O)NCCc1ccc2c(c1)OCO2)N(C)C ZINC000161282542 377552327 /nfs/dbraw/zinc/55/23/27/377552327.db2.gz WEZPNIYVRQEACU-ZDUSSCGKSA-N 0 3 292.379 1.804 10 70 CDIEHN COc1cc(CN2C[C@H](C(N)=O)CC[C@@H]2C)cc(OC)c1 ZINC000159586670 361736199 /nfs/dbraw/zinc/73/61/99/361736199.db2.gz AJAVYSIDZHFXRP-WCQYABFASA-N 0 3 292.379 1.790 10 70 CDIEHN CC(C)[C@H](C)NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160087185 362392602 /nfs/dbraw/zinc/39/26/02/362392602.db2.gz FRZBBMOWDPSHPL-OZTPJHRESA-N 0 3 268.401 1.680 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ccc(F)cn1 ZINC000160609546 362457119 /nfs/dbraw/zinc/45/71/19/362457119.db2.gz OMKZLNXYTWBHKP-NVBFEUDRSA-N 0 3 293.342 1.692 10 70 CDIEHN CCN(CCc1nccs1)CC[C@@H]1CCOC1=O ZINC000159403902 364199739 /nfs/dbraw/zinc/19/97/39/364199739.db2.gz JPJPREHIBSYJQF-LLVKDONJSA-N 0 3 268.382 1.961 10 70 CDIEHN O=C1NC2(CCCC2)C(=O)N1CCN1CCCSCC1 ZINC000161480519 280283112 /nfs/dbraw/zinc/28/31/12/280283112.db2.gz QJZUNDBYTMHEPV-UHFFFAOYSA-N 0 3 297.424 1.290 10 70 CDIEHN CC[C@](C)(O)CN1CCC(c2nc(C)no2)CC1 ZINC000160673792 523494966 /nfs/dbraw/zinc/49/49/66/523494966.db2.gz LXNOAUKSOSXUTD-ZDUSSCGKSA-N 0 3 253.346 1.718 10 70 CDIEHN CCc1ccc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)o1 ZINC000159589562 361738102 /nfs/dbraw/zinc/73/81/02/361738102.db2.gz JIISKMGSSJOIJB-QWRGUYRKSA-N 0 3 250.342 1.928 10 70 CDIEHN CNCC(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000159978236 361984535 /nfs/dbraw/zinc/98/45/35/361984535.db2.gz VXYFSDHJAVBAKZ-DGCLKSJQSA-N 0 3 262.353 1.619 10 70 CDIEHN O=C(NCCc1cscn1)N1CC[C@H](N2CC=CC2)C1 ZINC000159487670 358642437 /nfs/dbraw/zinc/64/24/37/358642437.db2.gz UILKLIGUXAIHOU-ZDUSSCGKSA-N 0 3 292.408 1.341 10 70 CDIEHN CC[C@@H](C(=O)N1CCO[C@@H](c2cccs2)C1)N(C)C ZINC000159586602 364238366 /nfs/dbraw/zinc/23/83/66/364238366.db2.gz VGDCCVRJZHNQIP-NWDGAFQWSA-N 0 3 282.409 1.988 10 70 CDIEHN Cc1cc(C[C@H](C)NC(=O)N(CCN(C)C)C(C)C)[nH]n1 ZINC000159763098 364262077 /nfs/dbraw/zinc/26/20/77/364262077.db2.gz NNJDPBKEERWIKT-LBPRGKRZSA-N 0 3 295.431 1.631 10 70 CDIEHN Cc1cc(C[C@H](C)NC(=O)CN(C)C(C)C)[nH]n1 ZINC000161406859 377619481 /nfs/dbraw/zinc/61/94/81/377619481.db2.gz PTTFHLUQHKEKKS-JTQLQIEISA-N 0 3 252.362 1.106 10 70 CDIEHN Cc1cc(C[C@H](C)NC(=O)CN(C)C(C)C)n[nH]1 ZINC000161406859 377619486 /nfs/dbraw/zinc/61/94/86/377619486.db2.gz PTTFHLUQHKEKKS-JTQLQIEISA-N 0 3 252.362 1.106 10 70 CDIEHN CO[C@H](C)[C@H](C)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000161166924 294338168 /nfs/dbraw/zinc/33/81/68/294338168.db2.gz WRKHJUBFLCHHOO-HBNTYKKESA-N 0 3 286.397 1.408 10 70 CDIEHN COc1ccc(N(C)C(=O)COC2(C)CNC2)cc1 ZINC000161158815 482865969 /nfs/dbraw/zinc/86/59/69/482865969.db2.gz LOJDXRRYQAXSIX-UHFFFAOYSA-N 0 3 264.325 1.037 10 70 CDIEHN Cn1cc(CN2CC[C@@H](CNc3ccccn3)C2)cn1 ZINC000160909999 527206878 /nfs/dbraw/zinc/20/68/78/527206878.db2.gz RJKJNKTWLXTYEU-ZDUSSCGKSA-N 0 3 271.368 1.749 10 70 CDIEHN C[C@@H]1CN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C[C@@H](C)O1 ZINC000159969536 362383302 /nfs/dbraw/zinc/38/33/02/362383302.db2.gz JJFNTOWBYDUULJ-ZRTFPUAOSA-N 0 3 296.411 1.155 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCCCCC1 ZINC000159972376 362384075 /nfs/dbraw/zinc/38/40/75/362384075.db2.gz CIUYFHIHEWZLEH-ZENOOKHLSA-N 0 3 280.412 1.922 10 70 CDIEHN Cc1occc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160478732 237177910 /nfs/dbraw/zinc/17/79/10/237177910.db2.gz PWVOPWUXUQACTJ-LBPRGKRZSA-N 0 3 266.341 1.165 10 70 CDIEHN COc1cc(CNC(C)(C)[C@@H](C)O)cc(OC)c1OC ZINC000161120797 360973779 /nfs/dbraw/zinc/97/37/79/360973779.db2.gz FWDTYKXRDWMZKO-SNVBAGLBSA-N 0 3 283.368 1.961 10 70 CDIEHN CC(C)N1C[C@H](NC(=O)c2cc(C(N)=O)cs2)[C@@H](C)C1 ZINC000161314134 364476049 /nfs/dbraw/zinc/47/60/49/364476049.db2.gz QEHZJIQMIMQFCF-ONGXEEELSA-N 0 3 295.408 1.306 10 70 CDIEHN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H]2CCCOC2)c1 ZINC000161471911 364499379 /nfs/dbraw/zinc/49/93/79/364499379.db2.gz XZDZFQOMYRTMIZ-YPMHNXCESA-N 0 3 298.408 1.424 10 70 CDIEHN CCC[C@@H](C(=O)NCCCn1cccn1)N(C)C ZINC000161496932 364502911 /nfs/dbraw/zinc/50/29/11/364502911.db2.gz VKCJWZFWVUCSBH-LBPRGKRZSA-N 0 3 252.362 1.120 10 70 CDIEHN CN1C[C@H](NCc2cccc3cc[nH]c32)CCC1=O ZINC000217822536 367258051 /nfs/dbraw/zinc/25/80/51/367258051.db2.gz CONZEBKOKPAXGH-CYBMUJFWSA-N 0 3 257.337 1.878 10 70 CDIEHN Cc1ccncc1NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160505751 281491948 /nfs/dbraw/zinc/49/19/48/281491948.db2.gz GDFYIYKPZQNGJT-PVXIVEMSSA-N 0 3 289.379 1.861 10 70 CDIEHN OC1CC(CNCc2cncc(Br)c2)C1 ZINC000160585537 292790610 /nfs/dbraw/zinc/79/06/10/292790610.db2.gz JDIRUOCXKFEFPP-UHFFFAOYSA-N 0 3 271.158 1.705 10 70 CDIEHN CCN(CCCN1CCOCC1)CCc1nccs1 ZINC000159381471 362317437 /nfs/dbraw/zinc/31/74/37/362317437.db2.gz VUWRYAPFOKKFAK-UHFFFAOYSA-N 0 3 283.441 1.730 10 70 CDIEHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cnc2ccccn12 ZINC000159769601 363290520 /nfs/dbraw/zinc/29/05/20/363290520.db2.gz GTKCXACYJWYELK-NWDGAFQWSA-N 0 3 272.352 1.420 10 70 CDIEHN CCn1cc(C(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)cn1 ZINC000160245600 364324248 /nfs/dbraw/zinc/32/42/48/364324248.db2.gz YYURRRMOSBWAHO-ZDUSSCGKSA-N 0 3 294.399 1.178 10 70 CDIEHN CCC[C@H](C(=O)NCCn1cc(C)cn1)N(C)C ZINC000161148420 364454924 /nfs/dbraw/zinc/45/49/24/364454924.db2.gz ZXHIEGGIXVYGKA-GFCCVEGCSA-N 0 3 252.362 1.038 10 70 CDIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(NC=O)cc2)C1 ZINC000161266576 364470723 /nfs/dbraw/zinc/47/07/23/364470723.db2.gz FHFYOHFPERKIFF-DOMZBBRYSA-N 0 3 289.379 1.713 10 70 CDIEHN COCCCNC(=O)CN[C@@H](C)c1cccc(C)c1 ZINC000160255598 533287347 /nfs/dbraw/zinc/28/73/47/533287347.db2.gz IUVAMPUEAAJGCQ-ZDUSSCGKSA-N 0 3 264.369 1.798 10 70 CDIEHN Cc1cc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)n[nH]1 ZINC000160524980 342072892 /nfs/dbraw/zinc/07/28/92/342072892.db2.gz HKUFVLMDRGUTJB-OLUVUFQESA-N 0 3 278.356 1.189 10 70 CDIEHN O=C([C@@H]1NCCc2ccccc21)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159875430 342370727 /nfs/dbraw/zinc/37/07/27/342370727.db2.gz IYPAUFGXQBMTGX-IJEWVQPXSA-N 0 3 285.391 1.226 10 70 CDIEHN CSCC[C@@H](N)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000159791981 345267758 /nfs/dbraw/zinc/26/77/58/345267758.db2.gz ORODCIJTIJPLRZ-MGPQQGTHSA-N 0 3 278.421 1.987 10 70 CDIEHN CN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160734383 346281258 /nfs/dbraw/zinc/28/12/58/346281258.db2.gz OWVCWJCDWCHYTM-KBPBESRZSA-N 0 3 281.400 1.291 10 70 CDIEHN CCN1CCC[C@@H](NC(=O)NC[C@@H](C)SC)C1 ZINC000159739678 363254878 /nfs/dbraw/zinc/25/48/78/363254878.db2.gz HMHZJTKGIPVLLN-GHMZBOCLSA-N 0 3 259.419 1.521 10 70 CDIEHN COCCC1(CNC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000161103375 533195018 /nfs/dbraw/zinc/19/50/18/533195018.db2.gz WFJCHQSYVMDXAQ-UONOGXRCSA-N 0 3 297.443 1.927 10 70 CDIEHN C[C@@](O)(CO)CNCc1ccc(Cl)c2cccnc12 ZINC000160334448 539115808 /nfs/dbraw/zinc/11/58/08/539115808.db2.gz GCTHUGOSAWQABW-AWEZNQCLSA-N 0 3 280.755 1.721 10 70 CDIEHN CC[C@@](C)(O)CN1CCN(Cc2csc(C)n2)CC1 ZINC000160426769 529509096 /nfs/dbraw/zinc/50/90/96/529509096.db2.gz HYOYRMDMRWPHIQ-CQSZACIVSA-N 0 3 283.441 1.730 10 70 CDIEHN CC[C@H](C)OCC(=O)N(C)C[C@@H]1CCCN1CC ZINC000159997279 363562983 /nfs/dbraw/zinc/56/29/83/363562983.db2.gz FAAGQQDVMSYEHH-STQMWFEESA-N 0 3 256.390 1.744 10 70 CDIEHN O=C(/C=C/c1cccnc1)NC[C@H](O)CN1CCCCC1 ZINC000160094715 364306220 /nfs/dbraw/zinc/30/62/20/364306220.db2.gz TVCJTBQPFIIXCA-LFAOLKIESA-N 0 3 289.379 1.058 10 70 CDIEHN O=C(/C=C/c1ccco1)NC[C@H](O)CN1CCCCC1 ZINC000160462180 364355734 /nfs/dbraw/zinc/35/57/34/364355734.db2.gz JKNPUROUPRNXAC-YBJDMEARSA-N 0 3 278.352 1.256 10 70 CDIEHN Cc1cccc(C(=O)NC[C@H](O)CN2CCCCC2)c1C ZINC000160406365 364347044 /nfs/dbraw/zinc/34/70/44/364347044.db2.gz QUINSFVUXZZLDI-HNNXBMFYSA-N 0 3 290.407 1.880 10 70 CDIEHN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H](C)N)C2)cc1 ZINC000161311491 369840466 /nfs/dbraw/zinc/84/04/66/369840466.db2.gz QNQAVPCXMIRZSD-NQBHXWOUSA-N 0 3 262.353 1.747 10 70 CDIEHN CC(C)N1C[C@H](NC(=O)C2(O)CCCC2)[C@@H](C)C1 ZINC000161416876 377605140 /nfs/dbraw/zinc/60/51/40/377605140.db2.gz JSUHANPGKWZJAS-RYUDHWBXSA-N 0 3 254.374 1.136 10 70 CDIEHN CCC[C@H](C(=O)N1CCC(C(=O)OC)CC1)N(C)C ZINC000161206705 292801952 /nfs/dbraw/zinc/80/19/52/292801952.db2.gz JRBSUJVBWVURLL-GFCCVEGCSA-N 0 3 270.373 1.128 10 70 CDIEHN CCN[C@@H](C)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000216815255 483014397 /nfs/dbraw/zinc/01/43/97/483014397.db2.gz QJQVOFZLICIBTM-FTPDJBBVSA-N 0 3 250.386 1.925 10 70 CDIEHN Cc1cccc2[nH]c(CNC(=O)C3CCN(C)CC3)nc21 ZINC000160596362 364077975 /nfs/dbraw/zinc/07/79/75/364077975.db2.gz XBIFFSQIEXVMIF-UHFFFAOYSA-N 0 3 286.379 1.829 10 70 CDIEHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cnn(C(C)(C)C)c1 ZINC000159697035 364253093 /nfs/dbraw/zinc/25/30/93/364253093.db2.gz OMWVWIBCCIVKMY-DGCLKSJQSA-N 0 3 278.400 1.724 10 70 CDIEHN Cc1cc(C)cc(C(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160254365 364326521 /nfs/dbraw/zinc/32/65/21/364326521.db2.gz QWYHEGSUMLYYJS-INIZCTEOSA-N 0 3 290.407 1.880 10 70 CDIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(F)cc1F ZINC000160284055 364328974 /nfs/dbraw/zinc/32/89/74/364328974.db2.gz HJEQLKRQXWCYRG-LBPRGKRZSA-N 0 3 298.333 1.541 10 70 CDIEHN Cc1cscc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160588296 364379626 /nfs/dbraw/zinc/37/96/26/364379626.db2.gz KYIWVYZXLFOZRS-LBPRGKRZSA-N 0 3 282.409 1.633 10 70 CDIEHN COC[C@H](CCO)N[C@@H](C)c1ccc(F)c(OC)c1 ZINC000218256990 140165398 /nfs/dbraw/zinc/16/53/98/140165398.db2.gz CQNXMNHVYPPJBW-JQWIXIFHSA-N 0 3 271.332 1.882 10 70 CDIEHN CCN1CCCN(C(=O)N[C@H]2CCCC[C@@H]2OC)CC1 ZINC000159915469 276367097 /nfs/dbraw/zinc/36/70/97/276367097.db2.gz ITODNDHKVVLKRP-KBPBESRZSA-N 0 3 283.416 1.681 10 70 CDIEHN CCC[C@H](C(=O)N1CCN(C(C)C)CC1)N(C)C ZINC000159796417 292769237 /nfs/dbraw/zinc/76/92/37/292769237.db2.gz VMWNEXMXWNWOAG-CYBMUJFWSA-N 0 3 255.406 1.269 10 70 CDIEHN COC(=O)CCN1CCC(c2ccnn2C)CC1 ZINC000160651393 523073238 /nfs/dbraw/zinc/07/32/38/523073238.db2.gz MXYSPGNLENBLON-UHFFFAOYSA-N 0 3 251.330 1.163 10 70 CDIEHN CCn1cnnc1[C@H]1CCCN(CCOC(C)C)C1 ZINC000161298219 523603125 /nfs/dbraw/zinc/60/31/25/523603125.db2.gz OFFNSZKBHBSOJZ-ZDUSSCGKSA-N 0 3 266.389 1.902 10 70 CDIEHN Cc1cnccc1NC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000160517254 362440014 /nfs/dbraw/zinc/44/00/14/362440014.db2.gz WWOQEDRKCWSRJF-DETPVDSQSA-N 0 3 289.379 1.861 10 70 CDIEHN Cc1nnc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)s1 ZINC000160898567 362537432 /nfs/dbraw/zinc/53/74/32/362537432.db2.gz GFZDTIBWISQBPS-VYUIOLGVSA-N 0 3 296.396 1.318 10 70 CDIEHN CC(C)CCO[C@@H]1CCN(C(=O)[C@H]2CCCCN2)C1 ZINC000160811721 361160048 /nfs/dbraw/zinc/16/00/48/361160048.db2.gz UMMHGEGEVFOQME-ZIAGYGMSSA-N 0 3 268.401 1.792 10 70 CDIEHN CN(C)C[C@H]1CN(C(=O)C2CCC(C)(C)CC2)CCO1 ZINC000160472344 391501678 /nfs/dbraw/zinc/50/16/78/391501678.db2.gz WIMXGOBMTPEQEE-AWEZNQCLSA-N 0 3 282.428 1.992 10 70 CDIEHN CC1(C)[C@H]2OCCC[C@H]2[C@@]1(N)C(=O)N1CCOC(C)(C)C1 ZINC000160194540 362404178 /nfs/dbraw/zinc/40/41/78/362404178.db2.gz FTDZLLJWQFDYJA-BFQNTYOBSA-N 0 3 296.411 1.156 10 70 CDIEHN C[C@H]1CCCCN1CCNC(=O)[C@@H](O)c1ccccc1 ZINC000159540669 364230001 /nfs/dbraw/zinc/23/00/01/364230001.db2.gz JQFIWSIMEWRILE-ZFWWWQNUSA-N 0 3 276.380 1.711 10 70 CDIEHN CCC[C@H](C(=O)NCCCn1cccn1)N(C)C ZINC000161497043 364502038 /nfs/dbraw/zinc/50/20/38/364502038.db2.gz VKCJWZFWVUCSBH-GFCCVEGCSA-N 0 3 252.362 1.120 10 70 CDIEHN COC(=O)CCCCNC(=O)c1ccc(CN(C)C)cc1 ZINC000161314166 377557591 /nfs/dbraw/zinc/55/75/91/377557591.db2.gz FTIRLICQWIBYFG-UHFFFAOYSA-N 0 3 292.379 1.821 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCC(F)(F)F ZINC000160054516 281462137 /nfs/dbraw/zinc/46/21/37/281462137.db2.gz XPCDELFRWQIQDL-RWYTXXIDSA-N 0 3 280.290 1.197 10 70 CDIEHN CCC(CC)(CNCC(=O)NC(C)(C)C)C(=O)OC ZINC000159670993 292765231 /nfs/dbraw/zinc/76/52/31/292765231.db2.gz GJZJCDRWOZUFFC-UHFFFAOYSA-N 0 3 272.389 1.470 10 70 CDIEHN COc1ccc(CN2C[C@H](C(N)=O)CC[C@@H]2C)cc1O ZINC000159580488 361736989 /nfs/dbraw/zinc/73/69/89/361736989.db2.gz IANVDAMKRYWLKR-CMPLNLGQSA-N 0 3 278.352 1.487 10 70 CDIEHN CC[C@H](CO)N1CCN(Cc2cnc3ccccn23)CC1 ZINC000160851205 358775010 /nfs/dbraw/zinc/77/50/10/358775010.db2.gz LSVNDZHXSASFGJ-CQSZACIVSA-N 0 3 288.395 1.223 10 70 CDIEHN CCc1ccc(O)c(NC(=O)COC2(C)CNC2)c1 ZINC000161212350 482869466 /nfs/dbraw/zinc/86/94/66/482869466.db2.gz BUOWQFZWTVBHTO-UHFFFAOYSA-N 0 3 264.325 1.272 10 70 CDIEHN CC[C@@H](N[C@@H](C)c1ccccc1-n1cccn1)C(N)=O ZINC000160826281 391572889 /nfs/dbraw/zinc/57/28/89/391572889.db2.gz QDZQAATWGWVWDC-WCQYABFASA-N 0 3 272.352 1.787 10 70 CDIEHN CCc1cc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)n[nH]1 ZINC000160803481 483066096 /nfs/dbraw/zinc/06/60/96/483066096.db2.gz UUIMGFPGQPYGTK-IFUGULHKSA-N 0 3 292.383 1.443 10 70 CDIEHN CC[C@](C)(O)CN1CCN(Cc2csc(C)n2)CC1 ZINC000160426648 529373976 /nfs/dbraw/zinc/37/39/76/529373976.db2.gz HYOYRMDMRWPHIQ-AWEZNQCLSA-N 0 3 283.441 1.730 10 70 CDIEHN C[C@H](N[C@H]1CCC[C@@H](O)C1)c1cccc(S(N)(=O)=O)c1 ZINC000218294758 539056582 /nfs/dbraw/zinc/05/65/82/539056582.db2.gz UZIYLHWPEHGXBN-WCFLWFBJSA-N 0 3 298.408 1.288 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCc1ccsc1 ZINC000160498467 362433455 /nfs/dbraw/zinc/43/34/55/362433455.db2.gz VHXIKNCLGCEPEJ-JMSVASOKSA-N 0 3 294.420 1.897 10 70 CDIEHN Cc1ccsc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160361855 237175099 /nfs/dbraw/zinc/17/50/99/237175099.db2.gz JPYKKSBFCZVPHX-LBPRGKRZSA-N 0 3 282.409 1.633 10 70 CDIEHN O=C(NC1(CO)CC1)c1cccc(CN2CCCC2)c1 ZINC000160346933 363959747 /nfs/dbraw/zinc/95/97/47/363959747.db2.gz OQYUPQLHQOQKTE-UHFFFAOYSA-N 0 3 274.364 1.537 10 70 CDIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccncc1Cl ZINC000159935670 364282820 /nfs/dbraw/zinc/28/28/20/364282820.db2.gz AGDJWICMBMBCHO-NSHDSACASA-N 0 3 297.786 1.312 10 70 CDIEHN COC(CN1CCC[C@H]1Cn1ccnc1C)OC ZINC000161424819 364492525 /nfs/dbraw/zinc/49/25/25/364492525.db2.gz BNEWLOOAQTWHAX-LBPRGKRZSA-N 0 3 253.346 1.275 10 70 CDIEHN CC(C)OC(=O)CCCNC(=O)N1CC[C@@H](N(C)C)C1 ZINC000160203232 362055050 /nfs/dbraw/zinc/05/50/50/362055050.db2.gz HZMWBFARUXRKHA-GFCCVEGCSA-N 0 3 285.388 1.064 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCc1cccs1 ZINC000160095347 362394337 /nfs/dbraw/zinc/39/43/37/362394337.db2.gz RJQGNUQUXSYJIF-ZOWXZIJZSA-N 0 3 294.420 1.897 10 70 CDIEHN CCN1CCCN(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)CC1 ZINC000160012896 364294737 /nfs/dbraw/zinc/29/47/37/364294737.db2.gz UKBPBLBTQYLDON-LBPRGKRZSA-N 0 3 293.415 1.386 10 70 CDIEHN CCC[C@H](C(=O)NC[C@@H](C(C)C)N1CCOCC1)N(C)C ZINC000161385135 377614185 /nfs/dbraw/zinc/61/41/85/377614185.db2.gz DZNHKDHOBZWOMU-CABCVRRESA-N 0 3 299.459 1.190 10 70 CDIEHN COc1ccc(CN2C[C@@H](C(N)=O)CC[C@H]2C)cc1OC ZINC000159631014 424143683 /nfs/dbraw/zinc/14/36/83/424143683.db2.gz KXPNFZJGBFXJSK-YPMHNXCESA-N 0 3 292.379 1.790 10 70 CDIEHN COc1cc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)cc(OC)c1 ZINC000159586412 361736311 /nfs/dbraw/zinc/73/63/11/361736311.db2.gz AJAVYSIDZHFXRP-AAEUAGOBSA-N 0 3 292.379 1.790 10 70 CDIEHN Cc1ncccc1NC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000160641878 362459551 /nfs/dbraw/zinc/45/95/51/362459551.db2.gz COQHGMUZPISHBS-DETPVDSQSA-N 0 3 289.379 1.861 10 70 CDIEHN CCCn1nccc1CNC1CCC(C(N)=O)CC1 ZINC000160084545 482781523 /nfs/dbraw/zinc/78/15/23/482781523.db2.gz HCFPFCDJUGUXTF-UHFFFAOYSA-N 0 3 264.373 1.427 10 70 CDIEHN CN(CCN1CCn2cnnc2C1)Cc1ccc(F)cc1 ZINC000159436547 359135425 /nfs/dbraw/zinc/13/54/25/359135425.db2.gz DHYBRDBLHOOJSN-UHFFFAOYSA-N 0 3 289.358 1.365 10 70 CDIEHN COc1cc(OC)c(OC)cc1CNC(C)(C)[C@@H](C)O ZINC000161121798 361239505 /nfs/dbraw/zinc/23/95/05/361239505.db2.gz QRMVVIOLSKRWER-SNVBAGLBSA-N 0 3 283.368 1.961 10 70 CDIEHN CC(=O)N[C@H](CC(=O)N1CCCNCC1)c1ccccc1 ZINC000160846957 361370002 /nfs/dbraw/zinc/37/00/02/361370002.db2.gz PEOOAZFCXXSFIG-OAHLLOKOSA-N 0 3 289.379 1.076 10 70 CDIEHN CCCN(CCO)Cc1cc(OC)c2c(c1)OCCO2 ZINC000161208035 364463941 /nfs/dbraw/zinc/46/39/41/364463941.db2.gz TWEYBODXAOCUGW-UHFFFAOYSA-N 0 3 281.352 1.671 10 70 CDIEHN CCC[C@@H](C(=O)NCc1ccnc(OC)c1)N(C)C ZINC000161392446 364488492 /nfs/dbraw/zinc/48/84/92/364488492.db2.gz MBBYDMKZEKIZRI-LBPRGKRZSA-N 0 3 265.357 1.437 10 70 CDIEHN COC[C@@H](CCO)N[C@@H](C)c1ccc(F)c(OC)c1 ZINC000218256946 140164440 /nfs/dbraw/zinc/16/44/40/140164440.db2.gz CQNXMNHVYPPJBW-CMPLNLGQSA-N 0 3 271.332 1.882 10 70 CDIEHN C[C@@H]1CN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C[C@H](C)O1 ZINC000160959465 524848548 /nfs/dbraw/zinc/84/85/48/524848548.db2.gz JJFNTOWBYDUULJ-CGOYYEKTSA-N 0 3 296.411 1.155 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCc1ccco1 ZINC000159958069 362381908 /nfs/dbraw/zinc/38/19/08/362381908.db2.gz ZMPONQYAOJLSMF-ZOWXZIJZSA-N 0 3 278.352 1.428 10 70 CDIEHN Cc1ccc2ncc(CN3C[C@H](C(N)=O)CC[C@@H]3C)n2c1 ZINC000159709441 363213280 /nfs/dbraw/zinc/21/32/80/363213280.db2.gz ZBCDAMURXPRBBZ-QWHCGFSZSA-N 0 3 286.379 1.729 10 70 CDIEHN CCc1ncc(NC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cn1 ZINC000161208001 364463404 /nfs/dbraw/zinc/46/34/04/364463404.db2.gz NEHQMKDELNZHAU-AAEUAGOBSA-N 0 3 291.399 1.889 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NC1CCCCC1 ZINC000159948571 278435830 /nfs/dbraw/zinc/43/58/30/278435830.db2.gz OXCPSEUVRWKDEL-IOASZLSFSA-N 0 3 280.412 1.968 10 70 CDIEHN CC1(CNC(=O)C2(N)Cc3ccccc3C2)CCC1 ZINC000160827968 520704153 /nfs/dbraw/zinc/70/41/53/520704153.db2.gz GEXBHVRUWUNYIN-UHFFFAOYSA-N 0 3 258.365 1.789 10 70 CDIEHN CC(C)CC(=O)NCCC(=O)NCCN1CCCC[C@@H]1C ZINC000160579302 519589460 /nfs/dbraw/zinc/58/94/60/519589460.db2.gz ZVPJKBVOIGBCNV-AWEZNQCLSA-N 0 3 297.443 1.529 10 70 CDIEHN CCNC(=O)CCN1CCC[C@H](c2nncn2CC)C1 ZINC000161270750 521735437 /nfs/dbraw/zinc/73/54/37/521735437.db2.gz SRQHIMCMSCMQAT-LBPRGKRZSA-N 0 3 279.388 1.004 10 70 CDIEHN CCc1ccc(CN2C[C@H](C(N)=O)CC[C@@H]2C)o1 ZINC000159589405 361738337 /nfs/dbraw/zinc/73/83/37/361738337.db2.gz JIISKMGSSJOIJB-WDEREUQCSA-N 0 3 250.342 1.928 10 70 CDIEHN CN(C[C@H]1CCCO1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160734313 346281511 /nfs/dbraw/zinc/28/15/11/346281511.db2.gz OWVCWJCDWCHYTM-ZIAGYGMSSA-N 0 3 281.400 1.291 10 70 CDIEHN C[C@@H]1C[C@H](N(C)C(=O)NCCc2cscn2)CCN1C ZINC000159415990 358502522 /nfs/dbraw/zinc/50/25/22/358502522.db2.gz JIWYNIXEWNTVPM-DGCLKSJQSA-N 0 3 296.440 1.810 10 70 CDIEHN CCC[C@@H](C(=O)NCCc1cn2ccccc2n1)N(C)C ZINC000161382753 364486192 /nfs/dbraw/zinc/48/61/92/364486192.db2.gz HFPJAPCTYVWRJY-AWEZNQCLSA-N 0 3 288.395 1.723 10 70 CDIEHN C[C@@H](NC[C@H](CO)c1ccccc1)c1cnn(C)c1 ZINC000161486574 364501046 /nfs/dbraw/zinc/50/10/46/364501046.db2.gz RGGGJHLHXMUEMW-IUODEOHRSA-N 0 3 259.353 1.847 10 70 CDIEHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cnn(C(C)(C)C)c1 ZINC000159696738 390941085 /nfs/dbraw/zinc/94/10/85/390941085.db2.gz OMWVWIBCCIVKMY-YPMHNXCESA-N 0 3 278.400 1.724 10 70 CDIEHN C[C@@H](Cn1cncn1)NC(=O)c1ccc(CN(C)C)cc1 ZINC000160459228 292787625 /nfs/dbraw/zinc/78/76/25/292787625.db2.gz OSZPANJHPQGJIT-LBPRGKRZSA-N 0 3 287.367 1.158 10 70 CDIEHN COc1cccc(CN2C[C@@H](C(N)=O)CC[C@H]2C)c1OC ZINC000159602604 295297955 /nfs/dbraw/zinc/29/79/55/295297955.db2.gz BNWWSUVVCIXPDQ-YPMHNXCESA-N 0 3 292.379 1.790 10 70 CDIEHN C[C@@H]1C[C@@H](N(C)C(=O)NCCc2cscn2)CCN1C ZINC000159416275 358502114 /nfs/dbraw/zinc/50/21/14/358502114.db2.gz JIWYNIXEWNTVPM-YPMHNXCESA-N 0 3 296.440 1.810 10 70 CDIEHN CCC[C@H](C(=O)NC[C@@H](O)c1ccc(C)cc1)N(C)C ZINC000160035332 364297775 /nfs/dbraw/zinc/29/77/75/364297775.db2.gz SKKJFAFSHREQFF-HUUCEWRRSA-N 0 3 278.396 1.875 10 70 CDIEHN CC[C@](C)(O)CN1CCN([C@@H](C)c2cccnc2)CC1 ZINC000161228105 364466298 /nfs/dbraw/zinc/46/62/98/364466298.db2.gz ZUCYHCYUFOOAOZ-HOCLYGCPSA-N 0 3 277.412 1.921 10 70 CDIEHN CCC[C@@H](C(=O)N1CCC(C(=O)OC)CC1)N(C)C ZINC000161206613 292801794 /nfs/dbraw/zinc/80/17/94/292801794.db2.gz JRBSUJVBWVURLL-LBPRGKRZSA-N 0 3 270.373 1.128 10 70 CDIEHN C[C@H]1CN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C[C@H]1C ZINC000160646049 300181066 /nfs/dbraw/zinc/18/10/66/300181066.db2.gz PQHUJVZBZPORPC-QCPCCJPKSA-N 0 3 280.412 1.633 10 70 CDIEHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(N(C)C)nc1 ZINC000159681379 539114576 /nfs/dbraw/zinc/11/45/76/539114576.db2.gz OOBQIENVUIAXEP-WCQYABFASA-N 0 3 276.384 1.233 10 70 CDIEHN O=C(NC1(CO)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000160210381 342371550 /nfs/dbraw/zinc/37/15/50/342371550.db2.gz MORJPLOQQSCNMH-OAHLLOKOSA-N 0 3 288.391 1.540 10 70 CDIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(C(N)=O)cc2)C1 ZINC000161269573 364471646 /nfs/dbraw/zinc/47/16/46/364471646.db2.gz OZZGAYOVEQDDGS-RISCZKNCSA-N 0 3 289.379 1.244 10 70 CDIEHN CC[C@](C)(O)CN1CCCN(CC(F)(F)F)CC1 ZINC000160554876 281291158 /nfs/dbraw/zinc/29/11/58/281291158.db2.gz FGBZEWCKCWQIHC-NSHDSACASA-N 0 3 268.323 1.717 10 70 CDIEHN C[C@H]1CCCCN1CCNC(=O)NC1CC=CC1 ZINC000160291523 539115758 /nfs/dbraw/zinc/11/57/58/539115758.db2.gz UOAODFAQSWQEBC-LBPRGKRZSA-N 0 3 251.374 1.879 10 70 CDIEHN CCC[C@@H](C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)N(C)C ZINC000159539927 362236231 /nfs/dbraw/zinc/23/62/31/362236231.db2.gz IKBHIVRNGQZDKR-ZNMIVQPWSA-N 0 3 299.459 1.332 10 70 CDIEHN CC(C)c1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)n[nH]1 ZINC000160305459 364693666 /nfs/dbraw/zinc/69/36/66/364693666.db2.gz YISQTJKDHPMBDV-PHIMTYICSA-N 0 3 262.357 1.500 10 70 CDIEHN C[C@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC1CC1 ZINC000159846643 292771423 /nfs/dbraw/zinc/77/14/23/292771423.db2.gz WFRRPHNWXIZIRU-RYUDHWBXSA-N 0 3 299.378 1.585 10 70 CDIEHN CCOc1cccc(CN2C[C@H](C(N)=O)CC[C@@H]2C)n1 ZINC000159596633 361745766 /nfs/dbraw/zinc/74/57/66/361745766.db2.gz PZQLLSCKYIFYAY-NWDGAFQWSA-N 0 3 277.368 1.566 10 70 CDIEHN Cc1ccc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)o1 ZINC000160457167 362082579 /nfs/dbraw/zinc/08/25/79/362082579.db2.gz LARRBGJEKONRQM-HEHGZKQESA-N 0 3 292.379 1.737 10 70 CDIEHN O=C([C@H]1NCCc2ccccc21)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159875323 342370795 /nfs/dbraw/zinc/37/07/95/342370795.db2.gz IYPAUFGXQBMTGX-LZWOXQAQSA-N 0 3 285.391 1.226 10 70 CDIEHN CCC[C@H](C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)N(C)C ZINC000159540303 362236203 /nfs/dbraw/zinc/23/62/03/362236203.db2.gz IKBHIVRNGQZDKR-RBSFLKMASA-N 0 3 299.459 1.332 10 70 CDIEHN COc1ccc([C@H](O)CNCc2cnn(C)c2C)cc1 ZINC000159836242 362374769 /nfs/dbraw/zinc/37/47/69/362374769.db2.gz JDXOSBGMHKPLIZ-OAHLLOKOSA-N 0 3 275.352 1.560 10 70 CDIEHN CC1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000159946587 362381317 /nfs/dbraw/zinc/38/13/17/362381317.db2.gz DIFMLBQAPZCTBD-HEHGZKQESA-N 0 3 280.412 1.777 10 70 CDIEHN Cc1cc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)on1 ZINC000160423723 362422440 /nfs/dbraw/zinc/42/24/40/362422440.db2.gz MHSMGNMTGNVREV-SLEUVZQESA-N 0 3 293.367 1.132 10 70 CDIEHN COCc1ccc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)o1 ZINC000159518216 361727310 /nfs/dbraw/zinc/72/73/10/361727310.db2.gz KRLWLVXVUFZQQS-QWRGUYRKSA-N 0 3 266.341 1.512 10 70 CDIEHN C[C@@H](NC[C@@H](CO)c1ccccc1)c1cnccn1 ZINC000161481741 364500432 /nfs/dbraw/zinc/50/04/32/364500432.db2.gz APZRJBPXDJWGRL-OCCSQVGLSA-N 0 3 257.337 1.903 10 70 CDIEHN CCOCCN(CC)C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000160518767 286080269 /nfs/dbraw/zinc/08/02/69/286080269.db2.gz VCWBADZBAKGWAX-HEHGZKQESA-N 0 3 298.427 1.404 10 70 CDIEHN CC(C)OCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000160809587 482827573 /nfs/dbraw/zinc/82/75/73/482827573.db2.gz CFHBIWFAPWRTOT-SLEUVZQESA-N 0 3 284.400 1.060 10 70 CDIEHN CCOC(=O)CCN1CCC[C@@H](c2nncn2CC)C1 ZINC000161419937 520680434 /nfs/dbraw/zinc/68/04/34/520680434.db2.gz ZXZGWUZQPFRDHE-GFCCVEGCSA-N 0 3 280.372 1.431 10 70 CDIEHN COc1ccc(CN2C[C@@H](C(N)=O)CC[C@H]2C)cc1O ZINC000159580079 361735736 /nfs/dbraw/zinc/73/57/36/361735736.db2.gz IANVDAMKRYWLKR-PWSUYJOCSA-N 0 3 278.352 1.487 10 70 CDIEHN C[C@@H](CO)[C@H](C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000160356061 362415775 /nfs/dbraw/zinc/41/57/75/362415775.db2.gz UOHPIEHFSPHIKT-RYUDHWBXSA-N 0 3 264.369 1.495 10 70 CDIEHN CC(C)CC(=O)NCCC(=O)NCCN1CCCC[C@H]1C ZINC000160579203 519591066 /nfs/dbraw/zinc/59/10/66/519591066.db2.gz ZVPJKBVOIGBCNV-CQSZACIVSA-N 0 3 297.443 1.529 10 70 CDIEHN CCOC(=O)CCN1CCC[C@H](c2nncn2CC)C1 ZINC000161420060 520678686 /nfs/dbraw/zinc/67/86/86/520678686.db2.gz ZXZGWUZQPFRDHE-LBPRGKRZSA-N 0 3 280.372 1.431 10 70 CDIEHN CCOC(=O)COCCN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160504704 520797076 /nfs/dbraw/zinc/79/70/76/520797076.db2.gz IKNADUPDQZBVTO-HIFRSBDPSA-N 0 3 285.384 1.193 10 70 CDIEHN CN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160734210 346281370 /nfs/dbraw/zinc/28/13/70/346281370.db2.gz OWVCWJCDWCHYTM-KGLIPLIRSA-N 0 3 281.400 1.291 10 70 CDIEHN CCN1CCC[C@H](NC(=O)NCC2(C3CC3)CC2)C1 ZINC000159738936 363248155 /nfs/dbraw/zinc/24/81/55/363248155.db2.gz ZBKDBDKKSALYQD-ZDUSSCGKSA-N 0 3 265.401 1.960 10 70 CDIEHN CCC[C@@H](C(=O)NCCCn1ccnc1)N(C)C ZINC000161161753 188511979 /nfs/dbraw/zinc/51/19/79/188511979.db2.gz YKDPNPPOYMZMOA-LBPRGKRZSA-N 0 3 252.362 1.120 10 70 CDIEHN CCC(CC)CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000160542005 521527821 /nfs/dbraw/zinc/52/78/21/521527821.db2.gz BDSLEHXMGWBLRH-CYBMUJFWSA-N 0 3 271.405 1.395 10 70 CDIEHN CCn1cnnc1[C@@H]1CCCN(CCCOC)C1 ZINC000161265059 523596837 /nfs/dbraw/zinc/59/68/37/523596837.db2.gz OFWYEMOWKFAQKD-GFCCVEGCSA-N 0 3 252.362 1.514 10 70 CDIEHN CCN(CC(=O)NCc1ccc(F)cc1)C[C@](C)(O)CC ZINC000160368445 527911302 /nfs/dbraw/zinc/91/13/02/527911302.db2.gz LUBIOBYNTTXFPC-MRXNPFEDSA-N 0 3 296.386 1.925 10 70 CDIEHN COCCNCC(=O)NCc1ccccc1OC1CCC1 ZINC000159711812 361807327 /nfs/dbraw/zinc/80/73/27/361807327.db2.gz PIAKNEXSNSQIAG-UHFFFAOYSA-N 0 3 292.379 1.470 10 70 CDIEHN Cc1c(CNCCNC(=O)OC(C)(C)C)cnn1C ZINC000161467177 363046143 /nfs/dbraw/zinc/04/61/43/363046143.db2.gz GLJIRLPHAVHONX-UHFFFAOYSA-N 0 3 268.361 1.343 10 70 CDIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cc(Cl)c[nH]1 ZINC000160449433 364354466 /nfs/dbraw/zinc/35/44/66/364354466.db2.gz ZOQNDHZESLRKTL-NSHDSACASA-N 0 3 285.775 1.245 10 70 CDIEHN C[C@@H]1CCCN(S(=O)(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000217839679 140164591 /nfs/dbraw/zinc/16/45/91/140164591.db2.gz NZCUBNGWNQRSLG-TZMCWYRMSA-N 0 3 297.424 1.253 10 70 CDIEHN OCCn1nccc1C1CCN(Cc2cccnc2)CC1 ZINC000160561593 527577812 /nfs/dbraw/zinc/57/78/12/527577812.db2.gz SLPHOZRLPTUMIW-UHFFFAOYSA-N 0 3 286.379 1.650 10 70 CDIEHN CN(CC1CC1)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000159390303 364197288 /nfs/dbraw/zinc/19/72/88/364197288.db2.gz YSJQRRWLFOZPGJ-ZDUSSCGKSA-N 0 3 262.357 1.257 10 70 CDIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccccc1Cl ZINC000160150094 364311978 /nfs/dbraw/zinc/31/19/78/364311978.db2.gz CKQXQVBEOSZYAR-LBPRGKRZSA-N 0 3 296.798 1.917 10 70 CDIEHN O=C(N1CCN2CCC[C@H]2C1)N1CCCCCC1 ZINC000160681505 364394166 /nfs/dbraw/zinc/39/41/66/364394166.db2.gz AFDMJNOQARDICE-ZDUSSCGKSA-N 0 3 251.374 1.762 10 70 CDIEHN CC1(C)[C@H]2OCCC[C@H]2[C@@]1(N)C(=O)N1CCC(C)(C)C1 ZINC000160676617 392511037 /nfs/dbraw/zinc/51/10/37/392511037.db2.gz ASMZKHOVCBVMBG-BFQNTYOBSA-N 0 3 280.412 1.777 10 70 CDIEHN CC[C@](C)(O)CN1CCCN(C(=O)OCC(C)C)CC1 ZINC000160805481 281291019 /nfs/dbraw/zinc/29/10/19/281291019.db2.gz PIJZPUSGHYGWFO-HNNXBMFYSA-N 0 3 286.416 1.948 10 70 CDIEHN Cc1ccc(CCC(=O)NC[C@@H](O)CN2CCCCC2)o1 ZINC000160318241 533772815 /nfs/dbraw/zinc/77/28/15/533772815.db2.gz LTYBRTDUEIDLHM-CQSZACIVSA-N 0 3 294.395 1.484 10 70 CDIEHN CC(C)NC(=O)CCN1CCC(c2ccnn2C)CC1 ZINC000160532550 519702727 /nfs/dbraw/zinc/70/27/27/519702727.db2.gz MAHDGBCHRRKHEL-UHFFFAOYSA-N 0 3 278.400 1.514 10 70 CDIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1C[C@H]1c1ccco1 ZINC000160683287 526572255 /nfs/dbraw/zinc/57/22/55/526572255.db2.gz JDRXRTMLRMXAFA-BFHYXJOUSA-N 0 3 292.379 1.346 10 70 CDIEHN Cc1ccc([O-])c(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)n1 ZINC000159545840 361734507 /nfs/dbraw/zinc/73/45/07/361734507.db2.gz NFYTXZOMMKBQIQ-WDEREUQCSA-N 0 3 263.341 1.181 10 70 CDIEHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)n1 ZINC000159545840 361734513 /nfs/dbraw/zinc/73/45/13/361734513.db2.gz NFYTXZOMMKBQIQ-WDEREUQCSA-N 0 3 263.341 1.181 10 70 CDIEHN COc1ccsc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160687519 364393999 /nfs/dbraw/zinc/39/39/99/364393999.db2.gz HYKUOOMIKZYAHX-NSHDSACASA-N 0 3 298.408 1.333 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NC1CCCC1 ZINC000159964255 362381921 /nfs/dbraw/zinc/38/19/21/362381921.db2.gz NGHCTRDKOPKDLH-JMSVASOKSA-N 0 3 266.385 1.578 10 70 CDIEHN O=C(CCc1ccsc1)NC[C@H](O)CN1CCCCC1 ZINC000160203734 364318075 /nfs/dbraw/zinc/31/80/75/364318075.db2.gz PFHHYROPGCWGPH-AWEZNQCLSA-N 0 3 296.436 1.644 10 70 CDIEHN COCCC1(CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000161103260 533195296 /nfs/dbraw/zinc/19/52/96/533195296.db2.gz WFJCHQSYVMDXAQ-ZIAGYGMSSA-N 0 3 297.443 1.927 10 70 CDIEHN CCC[C@@H](C(=O)N1CCC[C@H](C(=O)OCC)C1)N(C)C ZINC000161180238 520580252 /nfs/dbraw/zinc/58/02/52/520580252.db2.gz UWMWKSIMGIGUPX-STQMWFEESA-N 0 3 284.400 1.518 10 70 CDIEHN CCN(CC1CC1)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160533715 520952129 /nfs/dbraw/zinc/95/21/29/520952129.db2.gz ORGQPQYXNVOTPK-DVOMOZLQSA-N 0 3 280.412 1.777 10 70 CDIEHN COc1ccc(CN2C[C@H](C(N)=O)CC[C@H]2C)cc1OC ZINC000159631231 398214462 /nfs/dbraw/zinc/21/44/62/398214462.db2.gz KXPNFZJGBFXJSK-DGCLKSJQSA-N 0 3 292.379 1.790 10 70 CDIEHN COC(=O)c1csc(NC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000161123341 362682641 /nfs/dbraw/zinc/68/26/41/362682641.db2.gz IEQKNBPKBYYCNY-JTQLQIEISA-N 0 3 297.380 1.703 10 70 CDIEHN C[C@H](NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)C1CC1 ZINC000160147067 299242017 /nfs/dbraw/zinc/24/20/17/299242017.db2.gz MYPHLPKDXABUPT-XDYICZGBSA-N 0 3 266.385 1.434 10 70 CDIEHN CN1C[C@@H](NCc2cccc3cc[nH]c32)CCC1=O ZINC000217822458 360513475 /nfs/dbraw/zinc/51/34/75/360513475.db2.gz CONZEBKOKPAXGH-ZDUSSCGKSA-N 0 3 257.337 1.878 10 70 CDIEHN CC(C)N1C[C@H](NC(=O)c2cccc(C(N)=O)c2)[C@@H](C)C1 ZINC000161207914 364463651 /nfs/dbraw/zinc/46/36/51/364463651.db2.gz BKFGEXXXQJVNTC-FZMZJTMJSA-N 0 3 289.379 1.244 10 70 CDIEHN CCC[C@H](C(=O)NCCN(C)c1ccccc1)N(C)C ZINC000161340286 364480873 /nfs/dbraw/zinc/48/08/73/364480873.db2.gz XNVKVTQBFVPASW-OAHLLOKOSA-N 0 3 277.412 1.969 10 70 CDIEHN CC(C)N1C[C@H](NC(=O)C2(O)CCCCC2)[C@@H](C)C1 ZINC000161205112 377478639 /nfs/dbraw/zinc/47/86/39/377478639.db2.gz RLKUDKLPCWANFI-STQMWFEESA-N 0 3 268.401 1.527 10 70 CDIEHN CCC[C@H](C(=O)NCc1cccnc1OCC)N(C)C ZINC000161465628 377662906 /nfs/dbraw/zinc/66/29/06/377662906.db2.gz SUKDRKCFHYAUSG-CYBMUJFWSA-N 0 3 279.384 1.827 10 70 CDIEHN C[C@@H]1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000160341905 296537232 /nfs/dbraw/zinc/53/72/32/296537232.db2.gz WHPMCUPBKKRIMF-MCYUEQNJSA-N 0 3 266.385 1.387 10 70 CDIEHN O[C@H](CNCc1cccc2cccnc21)Cn1cccn1 ZINC000159429167 342072788 /nfs/dbraw/zinc/07/27/88/342072788.db2.gz ZJUUEQLKPWIIHX-OAHLLOKOSA-N 0 3 282.347 1.582 10 70 CDIEHN COCCCS(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000160286570 237175062 /nfs/dbraw/zinc/17/50/62/237175062.db2.gz FOJLQMNOYORBKV-CYBMUJFWSA-N 0 3 292.445 1.063 10 70 CDIEHN C[C@@H](NCCCN1CCCC1=O)c1cncc(F)c1 ZINC000159553347 364233733 /nfs/dbraw/zinc/23/37/33/364233733.db2.gz BEGCJMWKWMDMJD-LLVKDONJSA-N 0 3 265.332 1.884 10 70 CDIEHN CCC[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N(C)C ZINC000161190241 364461152 /nfs/dbraw/zinc/46/11/52/364461152.db2.gz MHMFTRUDIDPYJI-AWEZNQCLSA-N 0 3 290.411 1.461 10 70 CDIEHN CN(C)Cc1ccc(C(=O)N2CCN(C3CC3)CC2)cc1 ZINC000161424697 292805959 /nfs/dbraw/zinc/80/59/59/292805959.db2.gz FHRPLSGMTJJSAB-UHFFFAOYSA-N 0 3 287.407 1.668 10 70 CDIEHN C[C@H](N)C(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000159547460 362277709 /nfs/dbraw/zinc/27/77/09/362277709.db2.gz COFJXYQBTCAEFS-UHXUPSOCSA-N 0 3 262.353 1.711 10 70 CDIEHN Cc1cccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)n1 ZINC000160061848 362390994 /nfs/dbraw/zinc/39/09/94/362390994.db2.gz COBSVWXEXIFDOG-DETPVDSQSA-N 0 3 289.379 1.861 10 70 CDIEHN CN(CCN1CCCC1)C(=O)c1cnc2c(c1)ncn2C ZINC000159796179 362524098 /nfs/dbraw/zinc/52/40/98/362524098.db2.gz GBPIGRAKTXXLDJ-UHFFFAOYSA-N 0 3 287.367 1.136 10 70 CDIEHN CC(C)N1C[C@H](NC(=O)c2ccc(C(N)=O)cc2)[C@@H](C)C1 ZINC000161269707 188518785 /nfs/dbraw/zinc/51/87/85/188518785.db2.gz OZZGAYOVEQDDGS-FZMZJTMJSA-N 0 3 289.379 1.244 10 70 CDIEHN CCC[C@H](C(=O)NCCN1CCCCCC1)N(C)C ZINC000159870064 363387684 /nfs/dbraw/zinc/38/76/84/363387684.db2.gz UQJJXHRKGGHQNU-CQSZACIVSA-N 0 3 269.433 1.709 10 70 CDIEHN C[C@H](Cn1cncn1)NC(=O)c1ccc(CN(C)C)cc1 ZINC000160459376 363878619 /nfs/dbraw/zinc/87/86/19/363878619.db2.gz OSZPANJHPQGJIT-GFCCVEGCSA-N 0 3 287.367 1.158 10 70 CDIEHN Cc1ccc(F)c(C(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160213245 364319475 /nfs/dbraw/zinc/31/94/75/364319475.db2.gz MUQCXWUDJCFZLY-ZDUSSCGKSA-N 0 3 294.370 1.711 10 70 CDIEHN Cc1cc(C(=O)NC[C@H](O)CN2CCCCC2)sc1C ZINC000160252722 364326022 /nfs/dbraw/zinc/32/60/22/364326022.db2.gz KRKAQQUVVIVQDL-ZDUSSCGKSA-N 0 3 296.436 1.942 10 70 CDIEHN CC(C)c1cc(C(=O)NC[C@H](O)CN2CCCCC2)[nH]n1 ZINC000159946874 364284469 /nfs/dbraw/zinc/28/44/69/364284469.db2.gz CQUZJWWLCMCLFM-LBPRGKRZSA-N 0 3 294.399 1.110 10 70 CDIEHN CCC[C@@H](C(=O)NCc1nnc2ccccn21)N(C)C ZINC000161262294 377532280 /nfs/dbraw/zinc/53/22/80/377532280.db2.gz ORZVHACWBRWUSU-NSHDSACASA-N 0 3 275.356 1.076 10 70 CDIEHN CNCC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000159978138 361984257 /nfs/dbraw/zinc/98/42/57/361984257.db2.gz VXYFSDHJAVBAKZ-AAEUAGOBSA-N 0 3 262.353 1.619 10 70 CDIEHN CN(C)[C@@H]1CCN(C(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC000160574038 364034434 /nfs/dbraw/zinc/03/44/34/364034434.db2.gz JBFCXBREFQTVNJ-SECBINFHSA-N 0 3 288.273 1.272 10 70 CDIEHN Cc1cc(C(=O)NC[C@H](O)CN2CCCCC2)ccc1F ZINC000160240520 364324204 /nfs/dbraw/zinc/32/42/04/364324204.db2.gz QUMPIYPFDLRPJI-AWEZNQCLSA-N 0 3 294.370 1.711 10 70 CDIEHN CCC[C@@H](C(=O)N1CC[C@H](c2cnn(C)c2)C1)N(C)C ZINC000160326000 364335531 /nfs/dbraw/zinc/33/55/31/364335531.db2.gz FKELGTHMSXYISL-JSGCOSHPSA-N 0 3 278.400 1.466 10 70 CDIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cccc(F)c1 ZINC000160079782 364303522 /nfs/dbraw/zinc/30/35/22/364303522.db2.gz OKVWKKXWBDKJAQ-AWEZNQCLSA-N 0 3 280.343 1.402 10 70 CDIEHN C[C@H](C(=O)NC[C@H](O)CN1CCCCC1)c1cccs1 ZINC000160542115 364369276 /nfs/dbraw/zinc/36/92/76/364369276.db2.gz ZLRBKUUBRYIHMU-STQMWFEESA-N 0 3 296.436 1.815 10 70 CDIEHN O=C(/C=C/c1cccs1)NC[C@H](O)CN1CCCCC1 ZINC000160604160 364381202 /nfs/dbraw/zinc/38/12/02/364381202.db2.gz UUQVMMDQDUAFFK-YBJDMEARSA-N 0 3 294.420 1.724 10 70 CDIEHN CCC[C@H](C(=O)N1CCN(C(=O)C(C)(C)C)CC1)N(C)C ZINC000161484849 377680156 /nfs/dbraw/zinc/68/01/56/377680156.db2.gz LWZRAJXVCWEUBF-CYBMUJFWSA-N 0 3 297.443 1.434 10 70 CDIEHN COC(=O)c1csc(NC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000161123213 292800454 /nfs/dbraw/zinc/80/04/54/292800454.db2.gz IEQKNBPKBYYCNY-SNVBAGLBSA-N 0 3 297.380 1.703 10 70 CDIEHN CCC(CC)CNC(=O)NC[C@H](O)CN1CCCCC1 ZINC000160535214 346161197 /nfs/dbraw/zinc/16/11/97/346161197.db2.gz PWYGCLBZPNJLNB-AWEZNQCLSA-N 0 3 285.432 1.569 10 70 CDIEHN Cc1cccn2c(CN3C[C@@H](C(N)=O)CC[C@@H]3C)cnc12 ZINC000159621258 363059766 /nfs/dbraw/zinc/05/97/66/363059766.db2.gz JBPFTGAVFNZYHG-STQMWFEESA-N 0 3 286.379 1.729 10 70 CDIEHN CCC[C@H](C(=O)NCC(=O)OCc1ccccc1)N(C)C ZINC000161209922 364463420 /nfs/dbraw/zinc/46/34/20/364463420.db2.gz QMQWYZUVARHNFN-CQSZACIVSA-N 0 3 292.379 1.576 10 70 CDIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C2(O)CCCC2)C1 ZINC000161416792 377604832 /nfs/dbraw/zinc/60/48/32/377604832.db2.gz JSUHANPGKWZJAS-NEPJUHHUSA-N 0 3 254.374 1.136 10 70 CDIEHN CNCC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000159977983 139908529 /nfs/dbraw/zinc/90/85/29/139908529.db2.gz VXYFSDHJAVBAKZ-YPMHNXCESA-N 0 3 262.353 1.619 10 70 CDIEHN CCCOc1ccc(NC(=O)COC2(C)CNC2)cc1 ZINC000161161013 482866436 /nfs/dbraw/zinc/86/64/36/482866436.db2.gz OIHATWMOYBTJDF-UHFFFAOYSA-N 0 3 278.352 1.792 10 70 CDIEHN O[C@@H](CNCc1cccc2cccnc21)Cn1cccn1 ZINC000159429086 342072858 /nfs/dbraw/zinc/07/28/58/342072858.db2.gz ZJUUEQLKPWIIHX-HNNXBMFYSA-N 0 3 282.347 1.582 10 70 CDIEHN CC[C@](C)(O)CN1CCCN(C(=O)C(C)C)CC1 ZINC000160875218 358776302 /nfs/dbraw/zinc/77/63/02/358776302.db2.gz ASRGECITECKNJF-AWEZNQCLSA-N 0 3 256.390 1.338 10 70 CDIEHN CCc1nccn1[C@@H]1CCCN(CC(OC)OC)C1 ZINC000160979699 358781902 /nfs/dbraw/zinc/78/19/02/358781902.db2.gz YJCNZXQSZHKGRB-GFCCVEGCSA-N 0 3 267.373 1.701 10 70 CDIEHN CS[C@H](C)C(=O)NC[C@H]1CCCN1CC(C)C ZINC000160503212 363960468 /nfs/dbraw/zinc/96/04/68/363960468.db2.gz FASHTMUTLBTCIO-VXGBXAGGSA-N 0 3 258.431 1.975 10 70 CDIEHN COC[C@@H](CCO)N[C@H](C)c1ccc(F)c(OC)c1 ZINC000218257071 140164493 /nfs/dbraw/zinc/16/44/93/140164493.db2.gz CQNXMNHVYPPJBW-ZYHUDNBSSA-N 0 3 271.332 1.882 10 70 CDIEHN CCOC[C@H](O)CN[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000161314014 520161701 /nfs/dbraw/zinc/16/17/01/520161701.db2.gz MFDVBCOQFZRJFF-WCQYABFASA-N 0 3 283.416 1.995 10 70 CDIEHN CCN(CC1CC1)C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000160533964 520951800 /nfs/dbraw/zinc/95/18/00/520951800.db2.gz ORGQPQYXNVOTPK-HEHGZKQESA-N 0 3 280.412 1.777 10 70 CDIEHN CCNC(=O)CCN1CCC(c2cc[nH]n2)CC1 ZINC000160552527 521735448 /nfs/dbraw/zinc/73/54/48/521735448.db2.gz DQEKHVWLBNXVER-UHFFFAOYSA-N 0 3 250.346 1.115 10 70 CDIEHN COc1ccc(CNC(C)(C)[C@H](C)O)c(OC)c1OC ZINC000161134295 362405250 /nfs/dbraw/zinc/40/52/50/362405250.db2.gz UCOLNNZYFAKLCR-JTQLQIEISA-N 0 3 283.368 1.961 10 70 CDIEHN Cc1cc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)on1 ZINC000160423483 362422723 /nfs/dbraw/zinc/42/27/23/362422723.db2.gz MHSMGNMTGNVREV-TYNCELHUSA-N 0 3 293.367 1.132 10 70 CDIEHN CCN1CCC[C@H](NC(=O)NC[C@@H](C)SC)C1 ZINC000159739520 363248703 /nfs/dbraw/zinc/24/87/03/363248703.db2.gz HMHZJTKGIPVLLN-MNOVXSKESA-N 0 3 259.419 1.521 10 70 CDIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(F)c(F)c1 ZINC000160572196 364376136 /nfs/dbraw/zinc/37/61/36/364376136.db2.gz CAXIIQWYZSUSFS-LBPRGKRZSA-N 0 3 298.333 1.541 10 70 CDIEHN CCN1CCCN(C(=O)NCCCCSC)CC1 ZINC000159882230 529025896 /nfs/dbraw/zinc/02/58/96/529025896.db2.gz AZYOYIFJDNZODZ-UHFFFAOYSA-N 0 3 273.446 1.867 10 70 CDIEHN CCCN(CC)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160103180 362394323 /nfs/dbraw/zinc/39/43/23/362394323.db2.gz JXWYRGAQHIDFJM-TYNCELHUSA-N 0 3 268.401 1.777 10 70 CDIEHN CCC[C@@H](C(=O)N(C)Cc1nccn1C(F)F)N(C)C ZINC000161457982 364494716 /nfs/dbraw/zinc/49/47/16/364494716.db2.gz LUVPNPMZRQXBRM-JTQLQIEISA-N 0 3 288.342 1.967 10 70 CDIEHN CC[C@H](C)OCC(=O)N[C@H](CC(C)C)CN(C)C ZINC000161326766 292804576 /nfs/dbraw/zinc/80/45/76/292804576.db2.gz YBTFYUQVWCBTPW-QWHCGFSZSA-N 0 3 258.406 1.894 10 70 CDIEHN CC1(OCC(=O)N[C@@H]2CCCc3sccc32)CNC1 ZINC000161165910 482865572 /nfs/dbraw/zinc/86/55/72/482865572.db2.gz LORQSXNOHORXDS-LLVKDONJSA-N 0 3 280.393 1.620 10 70 CDIEHN NC(=O)c1cccc(CN2CCC(c3cc[nH]n3)CC2)c1 ZINC000160551649 527079233 /nfs/dbraw/zinc/07/92/33/527079233.db2.gz FWRYEFNDBPOHMN-UHFFFAOYSA-N 0 3 284.363 1.888 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1cccnc1 ZINC000159974813 362383353 /nfs/dbraw/zinc/38/33/53/362383353.db2.gz WQNNEBFPBDBXTK-JMSVASOKSA-N 0 3 275.352 1.553 10 70 CDIEHN CC[C@](C)(O)CN1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000161002833 362475152 /nfs/dbraw/zinc/47/51/52/362475152.db2.gz OKXZJXBCCRIAFM-FZMZJTMJSA-N 0 3 272.389 1.746 10 70 CDIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(C(N)=O)cs2)C1 ZINC000161314022 364476092 /nfs/dbraw/zinc/47/60/92/364476092.db2.gz QEHZJIQMIMQFCF-KOLCDFICSA-N 0 3 295.408 1.306 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCC1CCC1 ZINC000160115091 362394971 /nfs/dbraw/zinc/39/49/71/362394971.db2.gz WEYZLCMNYBBAJQ-JMSVASOKSA-N 0 3 266.385 1.435 10 70 CDIEHN COCCN1CCC[C@@H]1CNC(=O)NC1(C)CCC1 ZINC000161097253 362587205 /nfs/dbraw/zinc/58/72/05/362587205.db2.gz DKCBYIJRFNLPCV-GFCCVEGCSA-N 0 3 269.389 1.339 10 70 CDIEHN Cc1ncsc1CN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159673162 363180575 /nfs/dbraw/zinc/18/05/75/363180575.db2.gz LZQIHEFFXRWGRT-WPRPVWTQSA-N 0 3 253.371 1.537 10 70 CDIEHN C[C@H](NC[C@H](CO)c1ccccc1)c1cnn(C)c1 ZINC000161486437 188529804 /nfs/dbraw/zinc/52/98/04/188529804.db2.gz RGGGJHLHXMUEMW-SWLSCSKDSA-N 0 3 259.353 1.847 10 70 CDIEHN CN(C)C1(CNS(=O)(=O)c2ccccc2N)CCCC1 ZINC000160681565 356402195 /nfs/dbraw/zinc/40/21/95/356402195.db2.gz HXVNQJIZYXDORR-UHFFFAOYSA-N 0 3 297.424 1.422 10 70 CDIEHN CC[C@@H](C)OCC(=O)N(C)C[C@H]1CCCN1CC ZINC000159997418 363563079 /nfs/dbraw/zinc/56/30/79/363563079.db2.gz FAAGQQDVMSYEHH-CHWSQXEVSA-N 0 3 256.390 1.744 10 70 CDIEHN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H]2CCCOC2)c1 ZINC000161471719 364499860 /nfs/dbraw/zinc/49/98/60/364499860.db2.gz XZDZFQOMYRTMIZ-DGCLKSJQSA-N 0 3 298.408 1.424 10 70 CDIEHN CNS(=O)(=O)c1cccc([C@H](C)N[C@@H]2CCCOC2)c1 ZINC000161471637 364500125 /nfs/dbraw/zinc/50/01/25/364500125.db2.gz XZDZFQOMYRTMIZ-WCQYABFASA-N 0 3 298.408 1.424 10 70 CDIEHN CCOC(=O)CCN1CCC(c2cc[nH]n2)CC1 ZINC000160655056 520676757 /nfs/dbraw/zinc/67/67/57/520676757.db2.gz DJQJAPXSCWBUTD-UHFFFAOYSA-N 0 3 251.330 1.542 10 70 CDIEHN CC1(C)NC(=O)N(CCCN2CCCSCC2)C1=O ZINC000161490005 527787214 /nfs/dbraw/zinc/78/72/14/527787214.db2.gz KEGOPBDKKHTRNY-UHFFFAOYSA-N 0 3 285.413 1.146 10 70 CDIEHN CCCn1ccc2ccc(NC(=O)[C@@H]3C[C@@H](O)CN3)cc21 ZINC000159852682 361881106 /nfs/dbraw/zinc/88/11/06/361881106.db2.gz BWYABHAOWLAABK-KGLIPLIRSA-N 0 3 287.363 1.713 10 70 CDIEHN CCOC(=O)C1(C(=O)N(C)C[C@H]2CCCN2CC)CCC1 ZINC000160004841 364292973 /nfs/dbraw/zinc/29/29/73/364292973.db2.gz SAMSXQUGDXZECT-CYBMUJFWSA-N 0 3 296.411 1.663 10 70 CDIEHN CCc1cc(C)c(C(=O)NC[C@H](O)CN2CCCCC2)o1 ZINC000160460903 392505088 /nfs/dbraw/zinc/50/50/88/392505088.db2.gz ZXXFYZBPTPXTFV-ZDUSSCGKSA-N 0 3 294.395 1.727 10 70 CDIEHN CCC[C@H](C(=O)NC[C@H](c1ccco1)N(C)C)N(C)C ZINC000161225754 276282299 /nfs/dbraw/zinc/28/22/99/276282299.db2.gz RPMUPZWKNNCZSA-CHWSQXEVSA-N 0 3 281.400 1.729 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCCC1CC1 ZINC000160918758 292796663 /nfs/dbraw/zinc/79/66/63/292796663.db2.gz TZVZCSPVDNWRCO-ZENOOKHLSA-N 0 3 280.412 1.825 10 70 CDIEHN CCN(CCNc1cnc(C(=O)OC)cn1)C1CC1 ZINC000218125081 483013005 /nfs/dbraw/zinc/01/30/05/483013005.db2.gz QCYSMUDOCDBMCR-UHFFFAOYSA-N 0 3 264.329 1.159 10 70 CDIEHN CCOC(=O)CCN1CCC(c2ccnn2C)CC1 ZINC000160651287 520677590 /nfs/dbraw/zinc/67/75/90/520677590.db2.gz ASGRFKQNJYYDLE-UHFFFAOYSA-N 0 3 265.357 1.553 10 70 CDIEHN Cc1csc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)n1 ZINC000160051886 362390860 /nfs/dbraw/zinc/39/08/60/362390860.db2.gz RPXSNDYKNDMLPA-ISTVAULSSA-N 0 3 295.408 1.923 10 70 CDIEHN CC[C@@](C)(O)CN1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000161002944 362475231 /nfs/dbraw/zinc/47/52/31/362475231.db2.gz OKXZJXBCCRIAFM-SMDDNHRTSA-N 0 3 272.389 1.746 10 70 CDIEHN CN(CC1CCOCC1)C(=O)NC[C@@H]1CCCN1C ZINC000159764161 363285460 /nfs/dbraw/zinc/28/54/60/363285460.db2.gz GQDLOTLTBZHMLI-ZDUSSCGKSA-N 0 3 269.389 1.149 10 70 CDIEHN Cc1ccc(C)c(C(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160283801 364329291 /nfs/dbraw/zinc/32/92/91/364329291.db2.gz RAPIDENVBMHIBY-HNNXBMFYSA-N 0 3 290.407 1.880 10 70 CDIEHN CC[C@@H](N[C@H](C)c1ccccc1-n1cccn1)C(N)=O ZINC000160826567 276440604 /nfs/dbraw/zinc/44/06/04/276440604.db2.gz QDZQAATWGWVWDC-DGCLKSJQSA-N 0 3 272.352 1.787 10 70 CDIEHN CN1CCC[C@H]1CNC(=O)N1CCc2cccc(F)c2C1 ZINC000159762821 277079926 /nfs/dbraw/zinc/07/99/26/277079926.db2.gz FFCOMWWJWJFRMO-ZDUSSCGKSA-N 0 3 291.370 1.988 10 70 CDIEHN CCn1cnnc1[C@H]1CCCN(CCCOC)C1 ZINC000161265172 523604128 /nfs/dbraw/zinc/60/41/28/523604128.db2.gz OFWYEMOWKFAQKD-LBPRGKRZSA-N 0 3 252.362 1.514 10 70 CDIEHN Cc1cc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)no1 ZINC000160419224 342072914 /nfs/dbraw/zinc/07/29/14/342072914.db2.gz IHVILMSBRCYMRZ-TYNCELHUSA-N 0 3 293.367 1.132 10 70 CDIEHN CCN1CCC[C@@H]1CNC(=O)[C@@H](C)C1CCOCC1 ZINC000160331663 363822533 /nfs/dbraw/zinc/82/25/33/363822533.db2.gz OCCVMVWBXDPRDX-GXTWGEPZSA-N 0 3 268.401 1.650 10 70 CDIEHN CCC[C@@H](C(=O)NC[C@@H](O)c1ccc(C)cc1)N(C)C ZINC000160035207 364296688 /nfs/dbraw/zinc/29/66/88/364296688.db2.gz SKKJFAFSHREQFF-LSDHHAIUSA-N 0 3 278.396 1.875 10 70 CDIEHN CC(C)N(C)c1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2)cc1F ZINC000217767941 367257727 /nfs/dbraw/zinc/25/77/27/367257727.db2.gz ALAGUNLYYRGMPZ-YPMHNXCESA-N 0 3 295.358 1.332 10 70 CDIEHN CCC[C@H](C(=O)N1CCN(C2CCCC2)CC1)N(C)C ZINC000161469492 377665897 /nfs/dbraw/zinc/66/58/97/377665897.db2.gz JRDDNNJDIUPART-OAHLLOKOSA-N 0 3 281.444 1.804 10 70 CDIEHN Cn1cc(CNCC2C3CC4CC(C3)CC2C4)nn1 ZINC000216887728 545526095 /nfs/dbraw/zinc/52/60/95/545526095.db2.gz BZWSQDQSSXVNEN-UHFFFAOYSA-N 0 3 260.385 1.977 10 70 CDIEHN C[C@@H]1CCCCN1CCNC(=O)NC1CC=CC1 ZINC000160291392 539115674 /nfs/dbraw/zinc/11/56/74/539115674.db2.gz UOAODFAQSWQEBC-GFCCVEGCSA-N 0 3 251.374 1.879 10 70 CDIEHN C[C@@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC1CC1 ZINC000159846882 363377830 /nfs/dbraw/zinc/37/78/30/363377830.db2.gz WFRRPHNWXIZIRU-NWDGAFQWSA-N 0 3 299.378 1.585 10 70 CDIEHN Cc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)c(C)n1 ZINC000160047293 237165003 /nfs/dbraw/zinc/16/50/03/237165003.db2.gz JCDRKHWZIOPVME-AWEZNQCLSA-N 0 3 291.395 1.275 10 70 CDIEHN Cc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)o1 ZINC000160430273 237176570 /nfs/dbraw/zinc/17/65/70/237176570.db2.gz VKMIXVGRHXPDJC-LBPRGKRZSA-N 0 3 266.341 1.165 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1nncs1 ZINC000160065646 276161682 /nfs/dbraw/zinc/16/16/82/276161682.db2.gz XOYVNQXKLYRVTG-RWYTXXIDSA-N 0 3 282.369 1.009 10 70 CDIEHN CCN1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000161347630 276362321 /nfs/dbraw/zinc/36/23/21/276362321.db2.gz IXSLEUWUYDQAPY-RRFJBIMHSA-N 0 3 281.444 1.706 10 70 CDIEHN CC(C)N(CCN(C)C)C(=O)N[C@H]1CCCn2ncnc21 ZINC000159516612 277566421 /nfs/dbraw/zinc/56/64/21/277566421.db2.gz HGAMMOVAMHLKOV-LBPRGKRZSA-N 0 3 294.403 1.095 10 70 CDIEHN CCc1nc(CNC(=O)N2CCCN(CC)CC2)cs1 ZINC000159834189 361873930 /nfs/dbraw/zinc/87/39/30/361873930.db2.gz GLJZBUYBXXRZJA-UHFFFAOYSA-N 0 3 296.440 1.943 10 70 CDIEHN CCCn1ccc2ccc(NC(=O)[C@@H]3C[C@H](O)CN3)cc21 ZINC000159852473 361882150 /nfs/dbraw/zinc/88/21/50/361882150.db2.gz BWYABHAOWLAABK-KBPBESRZSA-N 0 3 287.363 1.713 10 70 CDIEHN C[C@@H]1CN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C[C@H](C)O1 ZINC000159969268 362383706 /nfs/dbraw/zinc/38/37/06/362383706.db2.gz JJFNTOWBYDUULJ-QCPCCJPKSA-N 0 3 296.411 1.155 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCc1ccncc1 ZINC000160076233 362392866 /nfs/dbraw/zinc/39/28/66/362392866.db2.gz CEQDLJYDKVHPFR-IOASZLSFSA-N 0 3 289.379 1.230 10 70 CDIEHN CC1(C)[C@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCOC(C)(C)C1 ZINC000160194810 362403883 /nfs/dbraw/zinc/40/38/83/362403883.db2.gz FTDZLLJWQFDYJA-MQIPJXDCSA-N 0 3 296.411 1.156 10 70 CDIEHN C[C@H](C(=O)NC1CCN(C)CC1)C1CCOCC1 ZINC000160246917 363793809 /nfs/dbraw/zinc/79/38/09/363793809.db2.gz ZGWJTZDBCDNZLI-NSHDSACASA-N 0 3 254.374 1.260 10 70 CDIEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000161402756 364487627 /nfs/dbraw/zinc/48/76/27/364487627.db2.gz HGOQSFLIWGCYMW-JSGCOSHPSA-N 0 3 289.379 1.470 10 70 CDIEHN CCOCCCN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000159485260 392478834 /nfs/dbraw/zinc/47/88/34/392478834.db2.gz UUAMDZPEDRLTKB-OAHLLOKOSA-N 0 3 276.380 1.976 10 70 CDIEHN COc1nc(C)nc(N2CC[C@@H](N3CCCC3)C2)c1C ZINC000159376574 278083966 /nfs/dbraw/zinc/08/39/66/278083966.db2.gz CJIHNDQXZHHJDV-CYBMUJFWSA-N 0 3 276.384 1.777 10 70 CDIEHN Cc1conc1NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000160581838 279037120 /nfs/dbraw/zinc/03/71/20/279037120.db2.gz WNZIZQYMUBSSDL-NSHDSACASA-N 0 3 296.371 1.014 10 70 CDIEHN CCC[C@H](C(=O)NCCCN1CCCCCC1=O)N(C)C ZINC000161298999 292803818 /nfs/dbraw/zinc/80/38/18/292803818.db2.gz DGIQUNFTYBFQCK-CQSZACIVSA-N 0 3 297.443 1.626 10 70 CDIEHN CC(C)CCO[C@@H]1CCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000160811458 361824337 /nfs/dbraw/zinc/82/43/37/361824337.db2.gz UMMHGEGEVFOQME-KGLIPLIRSA-N 0 3 268.401 1.792 10 70 CDIEHN COCCC1(CNC(=O)N2CC[C@@H](N(C)C)C2)CC1 ZINC000161017551 237190946 /nfs/dbraw/zinc/19/09/46/237190946.db2.gz XQPSRJYVGVMOKD-GFCCVEGCSA-N 0 3 269.389 1.149 10 70 CDIEHN CNC(=O)NC(=O)[C@H](C)N[C@H](C)c1cccc(C)c1 ZINC000160230129 363777742 /nfs/dbraw/zinc/77/77/42/363777742.db2.gz LIHJIPRFBXAELE-MNOVXSKESA-N 0 3 263.341 1.490 10 70 CDIEHN C[C@H](CCO)CNC(=O)c1ccccc1OCCN(C)C ZINC000161034858 364440217 /nfs/dbraw/zinc/44/02/17/364440217.db2.gz WPMMJPMRNHLZFT-CYBMUJFWSA-N 0 3 294.395 1.375 10 70 CDIEHN CC[C@H](C)[C@@H](N)C(=O)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000161469892 373756450 /nfs/dbraw/zinc/75/64/50/373756450.db2.gz DGQBSSBBWHGJIZ-GZNWPSJOSA-N 0 3 296.436 1.756 10 70 CDIEHN C[C@@H](C(=O)NC1CCN(C2CC2)CC1)C1CCOCC1 ZINC000161295325 377562470 /nfs/dbraw/zinc/56/24/70/377562470.db2.gz LYAYBLOSCGGAIS-GFCCVEGCSA-N 0 3 280.412 1.792 10 70 CDIEHN CCOC[C@@H](O)CN[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000161314404 520102704 /nfs/dbraw/zinc/10/27/04/520102704.db2.gz MFDVBCOQFZRJFF-YPMHNXCESA-N 0 3 283.416 1.995 10 70 CDIEHN C[C@H](CO)N(C)CCN(C)Cc1ccc(F)cc1 ZINC000161017530 524539818 /nfs/dbraw/zinc/53/98/18/524539818.db2.gz MEVFNJHXQKRBDO-GFCCVEGCSA-N 0 3 254.349 1.570 10 70 CDIEHN Cc1cccn2c(CN3C[C@H](C(N)=O)CC[C@@H]3C)cnc12 ZINC000159621116 363059293 /nfs/dbraw/zinc/05/92/93/363059293.db2.gz JBPFTGAVFNZYHG-QWHCGFSZSA-N 0 3 286.379 1.729 10 70 CDIEHN CCN1CCC[C@@H](NC(=O)N(C)CC2CCOCC2)C1 ZINC000159768519 363288605 /nfs/dbraw/zinc/28/86/05/363288605.db2.gz QPKNRCONKPTOQP-CQSZACIVSA-N 0 3 283.416 1.539 10 70 CDIEHN O=C(CCc1ccoc1)NC[C@H](O)CN1CCCCC1 ZINC000160380917 237171458 /nfs/dbraw/zinc/17/14/58/237171458.db2.gz CQYSRSXNVGDFAL-AWEZNQCLSA-N 0 3 280.368 1.175 10 70 CDIEHN CSCC[C@H](N)C(=O)N1CC[C@@H](OCCC(C)C)C1 ZINC000160815035 361167764 /nfs/dbraw/zinc/16/77/64/361167764.db2.gz VZZKICTWSSJWBG-OLZOCXBDSA-N 0 3 288.457 1.730 10 70 CDIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(Cl)nc1 ZINC000160435502 364352229 /nfs/dbraw/zinc/35/22/29/364352229.db2.gz IWCNHPVVCLOGSJ-LBPRGKRZSA-N 0 3 297.786 1.312 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCc1ccsc1 ZINC000160498256 520645949 /nfs/dbraw/zinc/64/59/49/520645949.db2.gz VHXIKNCLGCEPEJ-ZOWXZIJZSA-N 0 3 294.420 1.897 10 70 CDIEHN NC(=O)c1ccc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160752419 362489003 /nfs/dbraw/zinc/48/90/03/362489003.db2.gz GXYOQDPMZGDWDH-WBVHZDCISA-N 0 3 288.391 1.913 10 70 CDIEHN CCn1nc(C)cc1C(=O)NC1CCN(C2CC2)CC1 ZINC000159376237 344859623 /nfs/dbraw/zinc/85/96/23/344859623.db2.gz HOCAFBAMPKXHDZ-UHFFFAOYSA-N 0 3 276.384 1.568 10 70 CDIEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@@](C)(O)C1 ZINC000160471318 363893937 /nfs/dbraw/zinc/89/39/37/363893937.db2.gz FCKXAYAJTCQJKT-UKRRQHHQSA-N 0 3 285.432 1.519 10 70 CDIEHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000160549843 363996647 /nfs/dbraw/zinc/99/66/47/363996647.db2.gz WHQBGPZVLFVBNC-OLZOCXBDSA-N 0 3 297.443 1.480 10 70 CDIEHN C[C@H](NCCCN1CCCC1=O)c1cncs1 ZINC000159502519 364221509 /nfs/dbraw/zinc/22/15/09/364221509.db2.gz KGKKRSIVUMNFJO-JTQLQIEISA-N 0 3 253.371 1.806 10 70 CDIEHN CCC[C@H](C(=O)N1CC[C@@H](c2cnn(C)c2)C1)N(C)C ZINC000160326316 364335626 /nfs/dbraw/zinc/33/56/26/364335626.db2.gz FKELGTHMSXYISL-TZMCWYRMSA-N 0 3 278.400 1.466 10 70 CDIEHN CCC[C@@H](C(=O)N1CCN(C2CCCC2)CC1)N(C)C ZINC000161469404 377665274 /nfs/dbraw/zinc/66/52/74/377665274.db2.gz JRDDNNJDIUPART-HNNXBMFYSA-N 0 3 281.444 1.804 10 70 CDIEHN CCOC(=O)c1coc(NCCN(CC)C2CC2)n1 ZINC000218112446 140165538 /nfs/dbraw/zinc/16/55/38/140165538.db2.gz BWNBTJLIIAIBBZ-UHFFFAOYSA-N 0 3 267.329 1.748 10 70 CDIEHN COc1ccc([C@H]2C[C@H](C)N(C(=O)[C@@H](C)N)C2)cc1 ZINC000161311374 277935964 /nfs/dbraw/zinc/93/59/64/277935964.db2.gz QNQAVPCXMIRZSD-LOWVWBTDSA-N 0 3 262.353 1.747 10 70 CDIEHN Cc1conc1NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000160581951 279037247 /nfs/dbraw/zinc/03/72/47/279037247.db2.gz WNZIZQYMUBSSDL-LLVKDONJSA-N 0 3 296.371 1.014 10 70 CDIEHN CCC[C@H](C(=O)NCCCOCC(C)C)N(C)C ZINC000161310327 292803781 /nfs/dbraw/zinc/80/37/81/292803781.db2.gz DGIRDXDWDNSIEJ-CYBMUJFWSA-N 0 3 258.406 1.896 10 70 CDIEHN CCCC(O)(CCC)CC(=O)N1CC[C@H](N(C)C)C1 ZINC000161366438 528004331 /nfs/dbraw/zinc/00/43/31/528004331.db2.gz BQEJQKYEONQWRQ-ZDUSSCGKSA-N 0 3 270.417 1.870 10 70 CDIEHN COc1ccc(CN2C[C@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159631343 398214453 /nfs/dbraw/zinc/21/44/53/398214453.db2.gz KXPNFZJGBFXJSK-WCQYABFASA-N 0 3 292.379 1.790 10 70 CDIEHN Cc1nn(C)c2ncc(CNC(C)(C)[C@@H](C)O)cc12 ZINC000161127720 362273433 /nfs/dbraw/zinc/27/34/33/362273433.db2.gz DWYUAAUHGQAELP-SNVBAGLBSA-N 0 3 262.357 1.526 10 70 CDIEHN COc1cc(CNC(C)(C)[C@H](C)O)cc2c1OCCO2 ZINC000161128704 362275116 /nfs/dbraw/zinc/27/51/16/362275116.db2.gz SGEMWLFMYAPMQH-JTQLQIEISA-N 0 3 281.352 1.715 10 70 CDIEHN CCC[C@H](C(=O)NCc1ccc(C(N)=O)cc1)N(C)C ZINC000160252344 364325998 /nfs/dbraw/zinc/32/59/98/364325998.db2.gz MUKHSMAKCGUIMT-CYBMUJFWSA-N 0 3 277.368 1.132 10 70 CDIEHN CCC[C@@H](C(=O)NCCCn1nc(C)cc1C)N(C)C ZINC000161214422 364463719 /nfs/dbraw/zinc/46/37/19/364463719.db2.gz KLFYYGJUUAHTNJ-AWEZNQCLSA-N 0 3 280.416 1.737 10 70 CDIEHN CC[C@](C)(O)CN1CCN([C@H](C)c2cccnc2)CC1 ZINC000161228338 364465310 /nfs/dbraw/zinc/46/53/10/364465310.db2.gz ZUCYHCYUFOOAOZ-ZBFHGGJFSA-N 0 3 277.412 1.921 10 70 CDIEHN CC[C@H](C)[C@H](N)C(=O)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000161469717 373756978 /nfs/dbraw/zinc/75/69/78/373756978.db2.gz DGQBSSBBWHGJIZ-UHBVIIIMSA-N 0 3 296.436 1.756 10 70 CDIEHN C[C@H]1CN(c2ccnc3ccccc32)CCS1(=O)=O ZINC000160730319 390980821 /nfs/dbraw/zinc/98/08/21/390980821.db2.gz VNWRPGDCEQRAED-NSHDSACASA-N 0 3 276.361 1.858 10 70 CDIEHN COc1ccc(CN2C[C@H](C(N)=O)CC[C@H]2C)cc1O ZINC000159580347 361735845 /nfs/dbraw/zinc/73/58/45/361735845.db2.gz IANVDAMKRYWLKR-ZYHUDNBSSA-N 0 3 278.352 1.487 10 70 CDIEHN Cc1cccc(CC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160041464 361064855 /nfs/dbraw/zinc/06/48/55/361064855.db2.gz FUDGBMNDZNFQAH-INIZCTEOSA-N 0 3 290.407 1.501 10 70 CDIEHN COc1ccc([C@H]2C[C@@H](C)N(C(=O)[C@@H](C)N)C2)cc1 ZINC000161311272 369837655 /nfs/dbraw/zinc/83/76/55/369837655.db2.gz QNQAVPCXMIRZSD-WZRBSPASSA-N 0 3 262.353 1.747 10 70 CDIEHN CC[C@@](C)(O)CN1CCCN(C(=O)C(C)C)CC1 ZINC000160875353 391573599 /nfs/dbraw/zinc/57/35/99/391573599.db2.gz ASRGECITECKNJF-CQSZACIVSA-N 0 3 256.390 1.338 10 70 CDIEHN CC[C@H](N[C@H](C)c1ccc(-n2ccnn2)cc1)C(N)=O ZINC000159904059 292772910 /nfs/dbraw/zinc/77/29/10/292772910.db2.gz ZJDDPUPQIBEAPW-MFKMUULPSA-N 0 3 273.340 1.182 10 70 CDIEHN CO[C@H](C)[C@@H](C)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000161167170 294320054 /nfs/dbraw/zinc/32/00/54/294320054.db2.gz WRKHJUBFLCHHOO-GMTAPVOTSA-N 0 3 286.397 1.408 10 70 CDIEHN CCCCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000159992999 362385700 /nfs/dbraw/zinc/38/57/00/362385700.db2.gz UIDPPDYULWIGFN-TYNCELHUSA-N 0 3 268.401 1.825 10 70 CDIEHN O=C(/C=C/c1ccccc1)NC[C@H](O)CN1CCCCC1 ZINC000160150388 188456816 /nfs/dbraw/zinc/45/68/16/188456816.db2.gz YKTCGHVFMCCTIT-SCOAYWHSSA-N 0 3 288.391 1.663 10 70 CDIEHN CC[C@@H](C)OCC(=O)N(C)C[C@@H]1CCCN1CC ZINC000159997139 363562944 /nfs/dbraw/zinc/56/29/44/363562944.db2.gz FAAGQQDVMSYEHH-OLZOCXBDSA-N 0 3 256.390 1.744 10 70 CDIEHN COC[C@H](C)NCc1cn(C)nc1C(F)(F)F ZINC000159807830 364268844 /nfs/dbraw/zinc/26/88/44/364268844.db2.gz PXZQCLMVVMGGTO-ZETCQYMHSA-N 0 3 251.252 1.563 10 70 CDIEHN C[C@H](CNC(=O)[C@H](N)Cc1ccccc1)N1CCCC1 ZINC000161014748 292797960 /nfs/dbraw/zinc/79/79/60/292797960.db2.gz KCINDOPIAKLRFV-UKRRQHHQSA-N 0 3 275.396 1.157 10 70 CDIEHN Cc1cnc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)s1 ZINC000160013244 362386334 /nfs/dbraw/zinc/38/63/34/362386334.db2.gz IXPNPEFNNJCHSN-ISTVAULSSA-N 0 3 295.408 1.923 10 70 CDIEHN CCOCCC1(CNC(=O)NC[C@@H]2CCCN2C)CC1 ZINC000159712794 363220524 /nfs/dbraw/zinc/22/05/24/363220524.db2.gz WJXLLSHWVVTBMO-ZDUSSCGKSA-N 0 3 283.416 1.587 10 70 CDIEHN COc1cccc(C(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160225676 364321158 /nfs/dbraw/zinc/32/11/58/364321158.db2.gz JSUIEQNGWIAGTM-AWEZNQCLSA-N 0 3 292.379 1.272 10 70 CDIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cccc(Cl)c1 ZINC000160078977 364303362 /nfs/dbraw/zinc/30/33/62/364303362.db2.gz BHIOMTUNUAAXRA-AWEZNQCLSA-N 0 3 296.798 1.917 10 70 CDIEHN CCCCOCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160336615 392502904 /nfs/dbraw/zinc/50/29/04/392502904.db2.gz VMCSZGLDFBOXHP-DVOMOZLQSA-N 0 3 298.427 1.452 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCC(F)(F)F ZINC000160054244 281459084 /nfs/dbraw/zinc/45/90/84/281459084.db2.gz XPCDELFRWQIQDL-SXMVTHIZSA-N 0 3 280.290 1.197 10 70 CDIEHN COCC[C@H](C)NCc1cn(C)nc1C(F)(F)F ZINC000159798987 292674702 /nfs/dbraw/zinc/67/47/02/292674702.db2.gz CNQFOWZLWFCWCQ-QMMMGPOBSA-N 0 3 265.279 1.954 10 70 CDIEHN CCOC(=O)C1(C(=O)N(C)C[C@@H]2CCCN2CC)CCC1 ZINC000160004975 361999150 /nfs/dbraw/zinc/99/91/50/361999150.db2.gz SAMSXQUGDXZECT-ZDUSSCGKSA-N 0 3 296.411 1.663 10 70 CDIEHN CS[C@H](C)CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160819704 362502278 /nfs/dbraw/zinc/50/22/78/362502278.db2.gz KTPUZHSKTPUICJ-NJBDSQKTSA-N 0 3 286.441 1.387 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N1CCSCC1 ZINC000160071980 360476906 /nfs/dbraw/zinc/47/69/06/360476906.db2.gz BKLWKJLDCZEHLC-GYSYKLTISA-N 0 3 284.425 1.094 10 70 CDIEHN CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1cccc(C)c1 ZINC000160255813 363798061 /nfs/dbraw/zinc/79/80/61/363798061.db2.gz LIHJIPRFBXAELE-WDEREUQCSA-N 0 3 263.341 1.490 10 70 CDIEHN CCC[C@@H](C(=O)NC[C@@H](c1ccco1)N(C)C)N(C)C ZINC000161225397 364465457 /nfs/dbraw/zinc/46/54/57/364465457.db2.gz RPMUPZWKNNCZSA-STQMWFEESA-N 0 3 281.400 1.729 10 70 CDIEHN COc1cccc(F)c1[C@H](C)NC(=O)[C@]1(F)CCNC1 ZINC000161054867 526125376 /nfs/dbraw/zinc/12/53/76/526125376.db2.gz UYAUSHVQPNNTIH-XPTSAGLGSA-N 0 3 284.306 1.713 10 70 CDIEHN CCOCCCN1CCC[C@H](NC(=O)C(C)C)C1 ZINC000160128473 362033860 /nfs/dbraw/zinc/03/38/60/362033860.db2.gz CEBVSDQFOYIMSM-ZDUSSCGKSA-N 0 3 256.390 1.650 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC1CCCC1 ZINC000159963960 362382596 /nfs/dbraw/zinc/38/25/96/362382596.db2.gz NGHCTRDKOPKDLH-ZOWXZIJZSA-N 0 3 266.385 1.578 10 70 CDIEHN NC(=O)c1ccc(CN2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160752296 362489273 /nfs/dbraw/zinc/48/92/73/362489273.db2.gz GXYOQDPMZGDWDH-NVXWUHKLSA-N 0 3 288.391 1.913 10 70 CDIEHN CC(C)N(CCN(C)C)C(=O)[C@H](C)C1CCOCC1 ZINC000161185947 366014162 /nfs/dbraw/zinc/01/41/62/366014162.db2.gz VVYYKZSCGYVQIU-CYBMUJFWSA-N 0 3 270.417 1.848 10 70 CDIEHN CCN1CCCN(C(=O)NCc2cnc(C)s2)CC1 ZINC000159748802 364261034 /nfs/dbraw/zinc/26/10/34/364261034.db2.gz IXYLHAWKCPOGNZ-UHFFFAOYSA-N 0 3 282.413 1.689 10 70 CDIEHN Cc1ccoc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160222209 364321662 /nfs/dbraw/zinc/32/16/62/364321662.db2.gz GMHYOLMVZACMNJ-LBPRGKRZSA-N 0 3 266.341 1.165 10 70 CDIEHN CC[C@@](C)(O)CN(C)Cc1ccc(O)c(OC)c1 ZINC000160924824 364429376 /nfs/dbraw/zinc/42/93/76/364429376.db2.gz PZOXHNUZBMLTGI-CQSZACIVSA-N 0 3 253.342 1.994 10 70 CDIEHN CCC[C@H](C(=O)NCCc1cn2ccccc2n1)N(C)C ZINC000161382853 364485830 /nfs/dbraw/zinc/48/58/30/364485830.db2.gz HFPJAPCTYVWRJY-CQSZACIVSA-N 0 3 288.395 1.723 10 70 CDIEHN CC[C@@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)C(N)=O ZINC000159903916 292772882 /nfs/dbraw/zinc/77/28/82/292772882.db2.gz ZJDDPUPQIBEAPW-GXFFZTMASA-N 0 3 273.340 1.182 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCC1CCOCC1 ZINC000160522927 520646244 /nfs/dbraw/zinc/64/62/44/520646244.db2.gz JSYPFRNAFWQIRD-IOASZLSFSA-N 0 3 296.411 1.062 10 70 CDIEHN COC[C@H](C)S(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000160299122 293059580 /nfs/dbraw/zinc/05/95/80/293059580.db2.gz SJYXPDJECOYWSX-QWHCGFSZSA-N 0 3 292.445 1.061 10 70 CDIEHN CC[C@H](N)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000159958033 361971203 /nfs/dbraw/zinc/97/12/03/361971203.db2.gz VBJVPADGFXAQIU-NSHDSACASA-N 0 3 295.408 1.160 10 70 CDIEHN CN(C)C[C@H](NC(=O)c1cc[nH]c(=O)c1)c1ccccc1 ZINC000159842145 362375963 /nfs/dbraw/zinc/37/59/63/362375963.db2.gz BMMBYZLUNYYPFF-AWEZNQCLSA-N 0 3 285.347 1.408 10 70 CDIEHN CN(CCN(CC(N)=O)C(C)(C)C)Cc1ccc(F)cc1 ZINC000160327685 357593368 /nfs/dbraw/zinc/59/33/68/357593368.db2.gz OKCNNPXPUNYCJP-UHFFFAOYSA-N 0 3 295.402 1.843 10 70 CDIEHN O=C(CC1(O)CCCCC1)NC[C@H](O)CN1CCCCC1 ZINC000160287020 237175166 /nfs/dbraw/zinc/17/51/66/237175166.db2.gz CJVDERFDXKTDSH-AWEZNQCLSA-N 0 3 298.427 1.035 10 70 CDIEHN CC(C)CCO[C@H]1CCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000160811582 361160943 /nfs/dbraw/zinc/16/09/43/361160943.db2.gz UMMHGEGEVFOQME-KBPBESRZSA-N 0 3 268.401 1.792 10 70 CDIEHN CCC[C@H](C(=O)NCc1cccc(C(N)=O)c1)N(C)C ZINC000161486617 364501399 /nfs/dbraw/zinc/50/13/99/364501399.db2.gz XSIFEEYHXAQQOA-CYBMUJFWSA-N 0 3 277.368 1.132 10 70 CDIEHN COCCC1(CNC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000161103596 533194889 /nfs/dbraw/zinc/19/48/89/533194889.db2.gz WFJCHQSYVMDXAQ-KBPBESRZSA-N 0 3 297.443 1.927 10 70 CDIEHN CCn1cnnc1[C@@H]1CCCN(CCn2cccn2)C1 ZINC000161355240 523598886 /nfs/dbraw/zinc/59/88/86/523598886.db2.gz YGDXPXMABQBXNX-CYBMUJFWSA-N 0 3 274.372 1.374 10 70 CDIEHN NC1(C(=O)NC[C@@H]2CCCC[C@@H]2O)Cc2ccccc2C1 ZINC000159620406 361756894 /nfs/dbraw/zinc/75/68/94/361756894.db2.gz ZUXSVVGEFGPKSK-GJZGRUSLSA-N 0 3 288.391 1.150 10 70 CDIEHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cnc2ccccn12 ZINC000159769488 363289739 /nfs/dbraw/zinc/28/97/39/363289739.db2.gz GTKCXACYJWYELK-VXGBXAGGSA-N 0 3 272.352 1.420 10 70 CDIEHN CCn1cnnc1[C@H]1CCCN(CCOCC2CC2)C1 ZINC000160103860 237165519 /nfs/dbraw/zinc/16/55/19/237165519.db2.gz FBKBZHXADCSINT-AWEZNQCLSA-N 0 3 278.400 1.904 10 70 CDIEHN CCC(=O)N1CC[C@H](C(=O)N[C@H](CC(C)C)CN(C)C)C1 ZINC000160363299 363826215 /nfs/dbraw/zinc/82/62/15/363826215.db2.gz SJTKWJFHEGYDDX-UONOGXRCSA-N 0 3 297.443 1.337 10 70 CDIEHN CCC[C@H](C(=O)NC1CCN(C(=O)OCC)CC1)N(C)C ZINC000161251382 377522919 /nfs/dbraw/zinc/52/29/19/377522919.db2.gz QJKJQWBLKQOIGL-CYBMUJFWSA-N 0 3 299.415 1.454 10 70 CDIEHN COC[C@@H](C)S(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000160299286 285215685 /nfs/dbraw/zinc/21/56/85/285215685.db2.gz SJYXPDJECOYWSX-CHWSQXEVSA-N 0 3 292.445 1.061 10 70 CDIEHN CC[C@@](C)(O)CN1CCCN(CC(F)(F)F)CC1 ZINC000160554997 391542140 /nfs/dbraw/zinc/54/21/40/391542140.db2.gz FGBZEWCKCWQIHC-LLVKDONJSA-N 0 3 268.323 1.717 10 70 CDIEHN COc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CN(C)CCO1 ZINC000217762351 277947858 /nfs/dbraw/zinc/94/78/58/277947858.db2.gz NLFCUNGZWSOOMF-RDJZCZTQSA-N 0 3 290.407 1.993 10 70 CDIEHN Cc1ccc2c(c1)[C@H](N[C@H]1CCC(=O)N(C)C1=O)CC2 ZINC000160832409 281125838 /nfs/dbraw/zinc/12/58/38/281125838.db2.gz YLHHEBQXXQIACW-KGLIPLIRSA-N 0 3 272.348 1.719 10 70 CDIEHN CC[C@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)C(N)=O ZINC000159903783 292772923 /nfs/dbraw/zinc/77/29/23/292772923.db2.gz ZJDDPUPQIBEAPW-GWCFXTLKSA-N 0 3 273.340 1.182 10 70 CDIEHN CC(C)NC(=O)CCN1CCC(c2cc[nH]n2)CC1 ZINC000160552421 519702624 /nfs/dbraw/zinc/70/26/24/519702624.db2.gz XGVSECHZMQSIGI-UHFFFAOYSA-N 0 3 264.373 1.504 10 70 CDIEHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)n1 ZINC000159545978 361735151 /nfs/dbraw/zinc/73/51/51/361735151.db2.gz NFYTXZOMMKBQIQ-QWRGUYRKSA-N 0 3 263.341 1.181 10 70 CDIEHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)n1 ZINC000159545978 361735158 /nfs/dbraw/zinc/73/51/58/361735158.db2.gz NFYTXZOMMKBQIQ-QWRGUYRKSA-N 0 3 263.341 1.181 10 70 CDIEHN CCN(CC)[C@H](C)CNC(=O)[C@H]1CCC(=O)C[C@@H]1C ZINC000159976121 361984458 /nfs/dbraw/zinc/98/44/58/361984458.db2.gz QIGDFZVTUVEIDT-SCRDCRAPSA-N 0 3 268.401 1.838 10 70 CDIEHN COC(CN1CCC[C@@H](n2cc(C)cn2)C1)OC ZINC000160983583 358782595 /nfs/dbraw/zinc/78/25/95/358782595.db2.gz HJIRGPHEHMDVJT-GFCCVEGCSA-N 0 3 253.346 1.447 10 70 CDIEHN CCCS(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000160308945 363817622 /nfs/dbraw/zinc/81/76/22/363817622.db2.gz YOXSSPCZVSFZFB-GFCCVEGCSA-N 0 3 262.419 1.436 10 70 CDIEHN CC(C)(N)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000160142262 377051488 /nfs/dbraw/zinc/05/14/88/377051488.db2.gz FXKYNROSBVWKKZ-LBPRGKRZSA-N 0 3 275.352 1.036 10 70 CDIEHN CCC[C@H](C(=O)NCCCOCC1CC1)N(C)C ZINC000161289217 517606010 /nfs/dbraw/zinc/60/60/10/517606010.db2.gz RQSVKBPJKGXLJC-CYBMUJFWSA-N 0 3 256.390 1.650 10 70 CDIEHN CCn1cnnc1[C@@H]1CCCN(CCOC(C)C)C1 ZINC000161298147 523598317 /nfs/dbraw/zinc/59/83/17/523598317.db2.gz OFFNSZKBHBSOJZ-CYBMUJFWSA-N 0 3 266.389 1.902 10 70 CDIEHN Cc1cc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)n[nH]1 ZINC000160525210 342073010 /nfs/dbraw/zinc/07/30/10/342073010.db2.gz HKUFVLMDRGUTJB-NURSFMCSSA-N 0 3 278.356 1.189 10 70 CDIEHN CCC[C@H](C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)N(C)C ZINC000159540061 362236267 /nfs/dbraw/zinc/23/62/67/362236267.db2.gz IKBHIVRNGQZDKR-QLFBSQMISA-N 0 3 299.459 1.332 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ccc(O)cc1 ZINC000160217155 362405683 /nfs/dbraw/zinc/40/56/83/362405683.db2.gz FLQMSYKBMINTKX-IOASZLSFSA-N 0 3 290.363 1.863 10 70 CDIEHN CCC[C@@H](C(=O)N1CCC(C(=O)OCC)CC1)N(C)C ZINC000161159796 362704684 /nfs/dbraw/zinc/70/46/84/362704684.db2.gz YZHRYUFUMBZHDO-ZDUSSCGKSA-N 0 3 284.400 1.518 10 70 CDIEHN Cc1ccc2ncc(CN3C[C@@H](C(N)=O)CC[C@@H]3C)n2c1 ZINC000159709562 363213959 /nfs/dbraw/zinc/21/39/59/363213959.db2.gz ZBCDAMURXPRBBZ-STQMWFEESA-N 0 3 286.379 1.729 10 70 CDIEHN CCC[C@@H](C(=O)NCC1(CCOC)CC1)N(C)C ZINC000159743993 363270093 /nfs/dbraw/zinc/27/00/93/363270093.db2.gz SDCWRUZRASVSKC-LBPRGKRZSA-N 0 3 256.390 1.650 10 70 CDIEHN COC(=O)CCN(CCc1nccs1)C(C)C ZINC000159950157 363486215 /nfs/dbraw/zinc/48/62/15/363486215.db2.gz NPCWNLHZFZXHEO-UHFFFAOYSA-N 0 3 256.371 1.959 10 70 CDIEHN O=C(Nc1cc(C2CCCCCC2)[nH]n1)[C@@H]1C[C@@H](O)CN1 ZINC000159478493 361711275 /nfs/dbraw/zinc/71/12/75/361711275.db2.gz WTWBKTZLUCYTIV-YPMHNXCESA-N 0 3 292.383 1.509 10 70 CDIEHN COc1cc(C)cc(CNC(=O)NC[C@@H]2CCCN2C)c1 ZINC000159712496 364256267 /nfs/dbraw/zinc/25/62/67/364256267.db2.gz LGIZWUGSGXWYRK-AWEZNQCLSA-N 0 3 291.395 1.897 10 70 CDIEHN O=C(Cc1ccc(F)cc1)NC[C@H](O)CN1CCCCC1 ZINC000160254625 364325703 /nfs/dbraw/zinc/32/57/03/364325703.db2.gz DDLUTSPOQIUILV-HNNXBMFYSA-N 0 3 294.370 1.331 10 70 CDIEHN CCC[C@@H](C(=O)NC1CCN(C2CC2)CC1)N(C)C ZINC000161366908 377601869 /nfs/dbraw/zinc/60/18/69/377601869.db2.gz OXDRNJZBZZTAOB-AWEZNQCLSA-N 0 3 267.417 1.460 10 70 CDIEHN C[C@H](CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)C1CC1 ZINC000160828050 482829562 /nfs/dbraw/zinc/82/95/62/482829562.db2.gz PQYISECHONBHIH-YGSHXTJESA-N 0 3 280.412 1.681 10 70 CDIEHN Cc1cc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)no1 ZINC000160419497 342072991 /nfs/dbraw/zinc/07/29/91/342072991.db2.gz IHVILMSBRCYMRZ-SLEUVZQESA-N 0 3 293.367 1.132 10 70 CDIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccsc1 ZINC000160097961 364305780 /nfs/dbraw/zinc/30/57/80/364305780.db2.gz MOBQMJZATPSPNG-LBPRGKRZSA-N 0 3 268.382 1.325 10 70 CDIEHN C[C@H]1CN(C2CCN(CCn3ccnc3)CC2)CCO1 ZINC000159772657 361837473 /nfs/dbraw/zinc/83/74/73/361837473.db2.gz ONCNMRUSMDQTKT-AWEZNQCLSA-N 0 3 278.400 1.068 10 70 CDIEHN CCC[C@@H](C(=O)N1CCN(CCOC)[C@H](CC)C1)N(C)C ZINC000160924817 362211887 /nfs/dbraw/zinc/21/18/87/362211887.db2.gz RKRLXKUARROISH-CABCVRRESA-N 0 3 299.459 1.286 10 70 CDIEHN C[C@H]1C[C@H](NC(=O)c2cnc3c(c2)ncn3C)CN1C1CC1 ZINC000159956191 345314794 /nfs/dbraw/zinc/31/47/94/345314794.db2.gz GJUMMYIYYQQRAV-JQWIXIFHSA-N 0 3 299.378 1.323 10 70 CDIEHN CCC[C@H](C(=O)NC[C@@H](c1ccco1)N(C)C)N(C)C ZINC000161225518 364465790 /nfs/dbraw/zinc/46/57/90/364465790.db2.gz RPMUPZWKNNCZSA-OLZOCXBDSA-N 0 3 281.400 1.729 10 70 CDIEHN C[C@H](NC[C@@H](CO)c1ccccc1)c1cnn(C)c1 ZINC000161486186 364501891 /nfs/dbraw/zinc/50/18/91/364501891.db2.gz RGGGJHLHXMUEMW-WFASDCNBSA-N 0 3 259.353 1.847 10 70 CDIEHN COCCC1(CNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000161103478 533195047 /nfs/dbraw/zinc/19/50/47/533195047.db2.gz WFJCHQSYVMDXAQ-KGLIPLIRSA-N 0 3 297.443 1.927 10 70 CDIEHN Cc1c(CCC(=O)N[C@@H](CC(C)C)CN(C)C)cnn1C ZINC000160247808 390978192 /nfs/dbraw/zinc/97/81/92/390978192.db2.gz VGHYJKKVPMCDBG-HNNXBMFYSA-N 0 3 294.443 1.754 10 70 CDIEHN CCOC(=O)CCCN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160730019 276276693 /nfs/dbraw/zinc/27/66/93/276276693.db2.gz IYSNDGVRIASWEL-UKRRQHHQSA-N 0 3 269.385 1.957 10 70 CDIEHN CCOC(=O)COCCN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160504582 276279739 /nfs/dbraw/zinc/27/97/39/276279739.db2.gz IKNADUPDQZBVTO-UKRRQHHQSA-N 0 3 285.384 1.193 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC1CCCCC1 ZINC000159948349 278434931 /nfs/dbraw/zinc/43/49/31/278434931.db2.gz OXCPSEUVRWKDEL-ZENOOKHLSA-N 0 3 280.412 1.968 10 70 CDIEHN CN(C)[C@H]1CCN(C(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC000160574158 292790962 /nfs/dbraw/zinc/79/09/62/292790962.db2.gz JBFCXBREFQTVNJ-VIFPVBQESA-N 0 3 288.273 1.272 10 70 CDIEHN C[C@@H]1CCC[C@@H]1NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160499621 362433519 /nfs/dbraw/zinc/43/35/19/362433519.db2.gz GHYIWZAMCOYMFP-XRMRDTNMSA-N 0 3 280.412 1.824 10 70 CDIEHN C[C@H](CC1CC1)NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160539560 362441965 /nfs/dbraw/zinc/44/19/65/362441965.db2.gz YUBSHILUQZLMDL-YGSHXTJESA-N 0 3 280.412 1.824 10 70 CDIEHN C[C@@H]1CC(NC(=O)NC[C@@H]2CCCN2C)C[C@@H](C)O1 ZINC000159763841 363283490 /nfs/dbraw/zinc/28/34/90/363283490.db2.gz RWHIFYQYHMNLSP-WZRBSPASSA-N 0 3 269.389 1.336 10 70 CDIEHN CC[C@H](C(=O)N1CCO[C@@H](c2cccs2)C1)N(C)C ZINC000159586741 364238154 /nfs/dbraw/zinc/23/81/54/364238154.db2.gz VGDCCVRJZHNQIP-VXGBXAGGSA-N 0 3 282.409 1.988 10 70 CDIEHN CN(C)C[C@H](NC(=O)[C@@H]1CCCCO1)c1ccccc1 ZINC000160258387 364326291 /nfs/dbraw/zinc/32/62/91/364326291.db2.gz MEYADIJMNZIOAC-GJZGRUSLSA-N 0 3 276.380 1.975 10 70 CDIEHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)c1cccnc1 ZINC000160282209 364327961 /nfs/dbraw/zinc/32/79/61/364327961.db2.gz CXCYXRDQCHBOKN-CYBMUJFWSA-N 0 3 297.424 1.480 10 70 CDIEHN Cc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000159984004 364289732 /nfs/dbraw/zinc/28/97/32/364289732.db2.gz PCCOUBKYFDIZOR-HNNXBMFYSA-N 0 3 276.380 1.572 10 70 CDIEHN Cc1nc(C)c(C(=O)NC[C@H](O)CN2CCCCC2)s1 ZINC000160698082 364397198 /nfs/dbraw/zinc/39/71/98/364397198.db2.gz FWRSONAGZOTDRA-LBPRGKRZSA-N 0 3 297.424 1.337 10 70 CDIEHN CCC[C@@H](C(=O)NCCn1cc(C)cn1)N(C)C ZINC000161148336 364454785 /nfs/dbraw/zinc/45/47/85/364454785.db2.gz ZXHIEGGIXVYGKA-LBPRGKRZSA-N 0 3 252.362 1.038 10 70 CDIEHN CC[C@@](C)(O)CN1CCCN(C(=O)OCC(C)C)CC1 ZINC000160805631 391572695 /nfs/dbraw/zinc/57/26/95/391572695.db2.gz PIJZPUSGHYGWFO-OAHLLOKOSA-N 0 3 286.416 1.948 10 70 CDIEHN CC[C@@](C)(O)CN(C)Cc1ccc(OC)c(O)c1 ZINC000161507933 529508016 /nfs/dbraw/zinc/50/80/16/529508016.db2.gz HNTBPEOAERGACE-CQSZACIVSA-N 0 3 253.342 1.994 10 70 CDIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccccc1 ZINC000160603421 364380706 /nfs/dbraw/zinc/38/07/06/364380706.db2.gz IMQWJTYSNLUVAX-AWEZNQCLSA-N 0 3 262.353 1.263 10 70 CDIEHN C[C@H](C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21)C1CCOCC1 ZINC000160381058 289280080 /nfs/dbraw/zinc/28/00/80/289280080.db2.gz RPWXSRMHHUOJCW-BPUTZDHNSA-N 0 3 294.439 1.992 10 70 CDIEHN CCC[C@H](C(=O)N1CC[C@H](c2cnn(C)c2)C1)N(C)C ZINC000160326106 517607550 /nfs/dbraw/zinc/60/75/50/517607550.db2.gz FKELGTHMSXYISL-GXTWGEPZSA-N 0 3 278.400 1.466 10 70 CDIEHN CCOCCN1CCC[C@@H](c2nncn2CC)C1 ZINC000161421641 519912064 /nfs/dbraw/zinc/91/20/64/519912064.db2.gz ANOKARLNGIKALJ-GFCCVEGCSA-N 0 3 252.362 1.514 10 70 CDIEHN CCC(CC)CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000160542096 521527686 /nfs/dbraw/zinc/52/76/86/521527686.db2.gz BDSLEHXMGWBLRH-ZDUSSCGKSA-N 0 3 271.405 1.395 10 70 CDIEHN C[C@@H](CO)N(C)CCN(C)Cc1ccc(F)cc1 ZINC000161017447 524785147 /nfs/dbraw/zinc/78/51/47/524785147.db2.gz MEVFNJHXQKRBDO-LBPRGKRZSA-N 0 3 254.349 1.570 10 70 CDIEHN Cc1cc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)ccn1 ZINC000160648479 525238713 /nfs/dbraw/zinc/23/87/13/525238713.db2.gz OFZONQSPUQEBNV-HEHGZKQESA-N 0 3 289.379 1.861 10 70 CDIEHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)C1CC1 ZINC000160309960 527978748 /nfs/dbraw/zinc/97/87/48/527978748.db2.gz TXPJSCKSDHATNT-LLVKDONJSA-N 0 3 260.403 1.189 10 70 CDIEHN Cc1cc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)n(C)n1 ZINC000160040616 362387971 /nfs/dbraw/zinc/38/79/71/362387971.db2.gz JVYYCGCPHDIMGJ-IFUGULHKSA-N 0 3 292.383 1.200 10 70 CDIEHN Cn1cc(CNC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000160099280 362393628 /nfs/dbraw/zinc/39/36/28/362393628.db2.gz FHSPBWVRBOHCDO-LBPRGKRZSA-N 0 3 294.399 1.767 10 70 CDIEHN Cn1cc(Cl)cc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160074068 364302183 /nfs/dbraw/zinc/30/21/83/364302183.db2.gz TVNIOHKDUWQHMB-LBPRGKRZSA-N 0 3 299.802 1.255 10 70 CDIEHN CN1CCC[C@H]1CNCc1cnc2ccccc2n1 ZINC000218234508 364995568 /nfs/dbraw/zinc/99/55/68/364995568.db2.gz HRCMMDYYFAMYNB-ZDUSSCGKSA-N 0 3 256.353 1.814 10 70 CDIEHN CCC[C@H](C(=O)NCCCC(=O)OCC)N(C)C ZINC000159687376 292766077 /nfs/dbraw/zinc/76/60/77/292766077.db2.gz TZJCLKTYVZCMDU-LLVKDONJSA-N 0 3 258.362 1.176 10 70 CDIEHN CCNC(=O)CCN1CCC(c2cnn(CC)c2)CC1 ZINC000160473132 521735479 /nfs/dbraw/zinc/73/54/79/521735479.db2.gz MSHAJZCUZXCHHQ-UHFFFAOYSA-N 0 3 278.400 1.609 10 70 CDIEHN Cc1ccc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)o1 ZINC000160456924 362079032 /nfs/dbraw/zinc/07/90/32/362079032.db2.gz LARRBGJEKONRQM-DVOMOZLQSA-N 0 3 292.379 1.737 10 70 CDIEHN CCn1cc(C(=O)C(=O)N[C@H](CC(C)C)CN(C)C)cn1 ZINC000160245712 364324470 /nfs/dbraw/zinc/32/44/70/364324470.db2.gz YYURRRMOSBWAHO-CYBMUJFWSA-N 0 3 294.399 1.178 10 70 CDIEHN COC[C@](C)(CCO)NCCC(=O)c1ccc(C)cc1 ZINC000160107239 364307038 /nfs/dbraw/zinc/30/70/38/364307038.db2.gz HJOQUDAYYHXXFU-INIZCTEOSA-N 0 3 279.380 1.945 10 70 CDIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(Cl)cc1 ZINC000160485020 364360257 /nfs/dbraw/zinc/36/02/57/364360257.db2.gz CQEBHRGWTHLNFF-AWEZNQCLSA-N 0 3 296.798 1.917 10 70 CDIEHN CCC[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(C)C ZINC000161131724 364451243 /nfs/dbraw/zinc/45/12/43/364451243.db2.gz XKPUZWRUCBTEIB-LBPRGKRZSA-N 0 3 278.352 1.762 10 70 CDIEHN CCC[C@@H](C(=O)NCCN(C)c1ccccc1)N(C)C ZINC000161340211 364479506 /nfs/dbraw/zinc/47/95/06/364479506.db2.gz XNVKVTQBFVPASW-HNNXBMFYSA-N 0 3 277.412 1.969 10 70 CDIEHN CCC[C@@H](C(=O)NC1CCN(C(=O)OCC)CC1)N(C)C ZINC000161251261 377523159 /nfs/dbraw/zinc/52/31/59/377523159.db2.gz QJKJQWBLKQOIGL-ZDUSSCGKSA-N 0 3 299.415 1.454 10 70 CDIEHN CC[C@](C)(O)CN1CCC[C@H](c2nc(C)no2)C1 ZINC000160672219 523495113 /nfs/dbraw/zinc/49/51/13/523495113.db2.gz YIGILSBPBDHGCR-AAEUAGOBSA-N 0 3 253.346 1.718 10 70 CDIEHN CCC[C@@H](C(=O)N1CCN(c2nccs2)CC1)N(C)C ZINC000161371633 539117657 /nfs/dbraw/zinc/11/76/57/539117657.db2.gz JXUSSOJPLCRLIM-LBPRGKRZSA-N 0 3 296.440 1.522 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ccccn1 ZINC000159968633 362383077 /nfs/dbraw/zinc/38/30/77/362383077.db2.gz MXUDKAGNNFAHDM-HCKVZZMMSA-N 0 3 275.352 1.553 10 70 CDIEHN CCCC(=O)N[C@H]1CCCN(CCCOCC)C1 ZINC000160191412 345630055 /nfs/dbraw/zinc/63/00/55/345630055.db2.gz MQAMNTYZLFDJNO-ZDUSSCGKSA-N 0 3 256.390 1.794 10 70 CDIEHN Cn1cc(CNC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000160099142 360653388 /nfs/dbraw/zinc/65/33/88/360653388.db2.gz FHSPBWVRBOHCDO-GFCCVEGCSA-N 0 3 294.399 1.767 10 70 CDIEHN CC(C)N1C[C@H](NC(=O)c2ccc(C(N)=O)s2)[C@@H](C)C1 ZINC000161200391 377195775 /nfs/dbraw/zinc/19/57/75/377195775.db2.gz UCUOUJZRDTWJDQ-UWVGGRQHSA-N 0 3 295.408 1.306 10 70 CDIEHN CC[C@@H](C)OCC(=O)N[C@H](CC(C)C)CN(C)C ZINC000161326665 292804596 /nfs/dbraw/zinc/80/45/96/292804596.db2.gz YBTFYUQVWCBTPW-CHWSQXEVSA-N 0 3 258.406 1.894 10 70 CDIEHN Cc1nn(C)c(C)c1CN[C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000161018918 527636910 /nfs/dbraw/zinc/63/69/10/527636910.db2.gz XXULHZJCRUJPBF-CQSZACIVSA-N 0 3 286.379 1.892 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ccccn1 ZINC000159968358 362383560 /nfs/dbraw/zinc/38/35/60/362383560.db2.gz MXUDKAGNNFAHDM-NVBFEUDRSA-N 0 3 275.352 1.553 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCC1CCC1 ZINC000160114855 362394713 /nfs/dbraw/zinc/39/47/13/362394713.db2.gz WEYZLCMNYBBAJQ-ZOWXZIJZSA-N 0 3 266.385 1.435 10 70 CDIEHN COc1nc(C)nc(N2CC[C@H](N3CCCC3)C2)c1C ZINC000159376447 361677151 /nfs/dbraw/zinc/67/71/51/361677151.db2.gz CJIHNDQXZHHJDV-ZDUSSCGKSA-N 0 3 276.384 1.777 10 70 CDIEHN O=C(Cc1cccc(F)c1)NC[C@H](O)CN1CCCCC1 ZINC000160006179 534729533 /nfs/dbraw/zinc/72/95/33/534729533.db2.gz GMPMUTSOBOFYCS-HNNXBMFYSA-N 0 3 294.370 1.331 10 70 CDIEHN CCc1nn(C)c(CC)c1CN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159711374 361806889 /nfs/dbraw/zinc/80/68/89/361806889.db2.gz LUYILRMJWAYALX-RYUDHWBXSA-N 0 3 292.427 1.631 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCc1ccccn1 ZINC000160031436 362388140 /nfs/dbraw/zinc/38/81/40/362388140.db2.gz XBCNDABBOWZOFQ-ZENOOKHLSA-N 0 3 289.379 1.230 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCC(F)(F)F ZINC000160495376 362434092 /nfs/dbraw/zinc/43/40/92/362434092.db2.gz PSJRRLWRBAYCRB-KKFJDGPESA-N 0 3 294.317 1.588 10 70 CDIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cccc(C(N)=O)c2)C1 ZINC000161207790 188514399 /nfs/dbraw/zinc/51/43/99/188514399.db2.gz BKFGEXXXQJVNTC-RISCZKNCSA-N 0 3 289.379 1.244 10 70 CDIEHN CCC[C@H](C(=O)N[C@@H](C)CN1CCCCC1)N(C)C ZINC000159902539 363436624 /nfs/dbraw/zinc/43/66/24/363436624.db2.gz YHVSCKMICRGGSG-UONOGXRCSA-N 0 3 269.433 1.707 10 70 CDIEHN CNS(=O)(=O)c1cccc([C@H](C)N[C@H]2CCCOC2)c1 ZINC000161471832 364499516 /nfs/dbraw/zinc/49/95/16/364499516.db2.gz XZDZFQOMYRTMIZ-AAEUAGOBSA-N 0 3 298.408 1.424 10 70 CDIEHN NC(=O)c1cccc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160767057 362491563 /nfs/dbraw/zinc/49/15/63/362491563.db2.gz GZMOHYPIPYZBQE-WBVHZDCISA-N 0 3 288.391 1.913 10 70 CDIEHN COc1cc(CNC(C)(C)[C@H](C)O)cc(OC)c1OC ZINC000161120693 360973930 /nfs/dbraw/zinc/97/39/30/360973930.db2.gz FWDTYKXRDWMZKO-JTQLQIEISA-N 0 3 283.368 1.961 10 70 CDIEHN Cc1cc(C[C@@H](C)NC(=O)N(CCN(C)C)C(C)C)[nH]n1 ZINC000159762955 364261925 /nfs/dbraw/zinc/26/19/25/364261925.db2.gz NNJDPBKEERWIKT-GFCCVEGCSA-N 0 3 295.431 1.631 10 70 CDIEHN CC[C@@](C)(O)CN1CCN([C@@H](C)c2cccnc2)CC1 ZINC000161228203 364465924 /nfs/dbraw/zinc/46/59/24/364465924.db2.gz ZUCYHCYUFOOAOZ-GOEBONIOSA-N 0 3 277.412 1.921 10 70 CDIEHN CCC[C@@H](C(=O)N1CCC(C(=O)N(C)C)CC1)N(C)C ZINC000161253867 377509144 /nfs/dbraw/zinc/50/91/44/377509144.db2.gz URVFFFCLZQRZPO-ZDUSSCGKSA-N 0 3 283.416 1.044 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCC1CCCC1 ZINC000160119254 281462088 /nfs/dbraw/zinc/46/20/88/281462088.db2.gz KAXBJFUVAHLIJC-IOASZLSFSA-N 0 3 280.412 1.825 10 70 CDIEHN CCn1cnnc1[C@H]1CCCN(CCn2cccn2)C1 ZINC000161355371 523603024 /nfs/dbraw/zinc/60/30/24/523603024.db2.gz YGDXPXMABQBXNX-ZDUSSCGKSA-N 0 3 274.372 1.374 10 70 CDIEHN Cn1nccc1C1CCN(Cc2cccc(C(N)=O)c2)CC1 ZINC000160531670 527599071 /nfs/dbraw/zinc/59/90/71/527599071.db2.gz SSDDNTYKUAABPX-UHFFFAOYSA-N 0 3 298.390 1.899 10 70 CDIEHN CCCCS(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000160294562 528725369 /nfs/dbraw/zinc/72/53/69/528725369.db2.gz VGHKCCXLICSWAR-CYBMUJFWSA-N 0 3 276.446 1.826 10 70 CDIEHN CC(C)CCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000159996683 362386290 /nfs/dbraw/zinc/38/62/90/362386290.db2.gz RVHZJTSOPRSESA-SLEUVZQESA-N 0 3 268.401 1.681 10 70 CDIEHN C[C@H]1C[C@@H](N(C)C(=O)NCCc2cscn2)CCN1C ZINC000159416406 358502178 /nfs/dbraw/zinc/50/21/78/358502178.db2.gz JIWYNIXEWNTVPM-AAEUAGOBSA-N 0 3 296.440 1.810 10 70 CDIEHN COCc1ccc(CN2C[C@@H](C(N)=O)CC[C@H]2C)o1 ZINC000159518081 361726719 /nfs/dbraw/zinc/72/67/19/361726719.db2.gz KRLWLVXVUFZQQS-MNOVXSKESA-N 0 3 266.341 1.512 10 70 CDIEHN CS[C@@H](C)C(=O)NC[C@H]1CCCN1CC(C)C ZINC000160503331 363960874 /nfs/dbraw/zinc/96/08/74/363960874.db2.gz FASHTMUTLBTCIO-NWDGAFQWSA-N 0 3 258.431 1.975 10 70 CDIEHN Cc1ccccc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160335732 364335604 /nfs/dbraw/zinc/33/56/04/364335604.db2.gz FZTAVBLOKHUKAG-AWEZNQCLSA-N 0 3 276.380 1.572 10 70 CDIEHN CC(C)N(C[C@@H](C)O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000160274528 377044635 /nfs/dbraw/zinc/04/46/35/377044635.db2.gz OKHVAEISJDBLNI-UONOGXRCSA-N 0 3 285.432 1.519 10 70 CDIEHN COC[C@H](CCO)N[C@H](C)c1ccc(F)c(OC)c1 ZINC000218257137 140164330 /nfs/dbraw/zinc/16/43/30/140164330.db2.gz CQNXMNHVYPPJBW-PWSUYJOCSA-N 0 3 271.332 1.882 10 70 CDIEHN CN(C)C[C@@H](NC(=O)c1cc[nH]c(=O)c1)c1ccccc1 ZINC000159842291 362375585 /nfs/dbraw/zinc/37/55/85/362375585.db2.gz BMMBYZLUNYYPFF-CQSZACIVSA-N 0 3 285.347 1.408 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCc1cccs1 ZINC000160095610 362393492 /nfs/dbraw/zinc/39/34/92/362393492.db2.gz RJQGNUQUXSYJIF-JMSVASOKSA-N 0 3 294.420 1.897 10 70 CDIEHN C[C@H](NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)[C@@H]1CCCO1 ZINC000160148064 299242236 /nfs/dbraw/zinc/24/22/36/299242236.db2.gz LQEJZIIVAKCAOX-CGOYYEKTSA-N 0 3 296.411 1.203 10 70 CDIEHN O=C(Nc1cc(C2CCCCCC2)[nH]n1)[C@H]1C[C@@H](O)CN1 ZINC000159478588 361711227 /nfs/dbraw/zinc/71/12/27/361711227.db2.gz WTWBKTZLUCYTIV-DGCLKSJQSA-N 0 3 292.383 1.509 10 70 CDIEHN CCC[C@@H](C(=O)N1CC[C@@H](c2cnn(C)c2)C1)N(C)C ZINC000160326195 364335992 /nfs/dbraw/zinc/33/59/92/364335992.db2.gz FKELGTHMSXYISL-OCCSQVGLSA-N 0 3 278.400 1.466 10 70 CDIEHN CCOCCCN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000159485381 286057693 /nfs/dbraw/zinc/05/76/93/286057693.db2.gz UUAMDZPEDRLTKB-HNNXBMFYSA-N 0 3 276.380 1.976 10 70 CDIEHN COc1cccc(CN2C[C@H](C(N)=O)CC[C@H]2C)c1OC ZINC000159602841 295298269 /nfs/dbraw/zinc/29/82/69/295298269.db2.gz BNWWSUVVCIXPDQ-DGCLKSJQSA-N 0 3 292.379 1.790 10 70 CDIEHN CCOCCN1CCC[C@H](c2nncn2CC)C1 ZINC000161421752 519912592 /nfs/dbraw/zinc/91/25/92/519912592.db2.gz ANOKARLNGIKALJ-LBPRGKRZSA-N 0 3 252.362 1.514 10 70 CDIEHN CCOC[C@@H](O)CN[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000161314144 520102615 /nfs/dbraw/zinc/10/26/15/520102615.db2.gz MFDVBCOQFZRJFF-AAEUAGOBSA-N 0 3 283.416 1.995 10 70 CDIEHN CCCOC(=O)[C@@H](C)N1CCC(c2ccn[nH]2)CC1 ZINC000160071559 362017370 /nfs/dbraw/zinc/01/73/70/362017370.db2.gz DVEMRNSRVRMEPM-LLVKDONJSA-N 0 3 265.357 1.931 10 70 CDIEHN Cc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1F ZINC000160426091 237178170 /nfs/dbraw/zinc/17/81/70/237178170.db2.gz BVLUUMYSCIIAAU-AWEZNQCLSA-N 0 3 294.370 1.711 10 70 CDIEHN COc1c(CN[C@@H]2CCOC(C)(C)C2)c(C)nn1C ZINC000159777983 533420953 /nfs/dbraw/zinc/42/09/53/533420953.db2.gz RMHUHVVWDUPFFE-LLVKDONJSA-N 0 3 267.373 1.784 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC[C@@H]1CCCS1 ZINC000160687595 276161510 /nfs/dbraw/zinc/16/15/10/276161510.db2.gz NSSDPUDHMHRSAK-OHTBPHCPSA-N 0 3 298.452 1.531 10 70 CDIEHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)C1 ZINC000160597129 289313918 /nfs/dbraw/zinc/31/39/18/289313918.db2.gz FEHBOOAOYLWGAH-MJBXVCDLSA-N 0 3 281.400 1.290 10 70 CDIEHN Cc1nsc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)n1 ZINC000160910145 482839956 /nfs/dbraw/zinc/83/99/56/482839956.db2.gz NQTUJJCZCRFHEJ-VYUIOLGVSA-N 0 3 296.396 1.318 10 70 CDIEHN C[C@@H]1CN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C[C@H]1C ZINC000160646269 524849838 /nfs/dbraw/zinc/84/98/38/524849838.db2.gz PQHUJVZBZPORPC-ZRTFPUAOSA-N 0 3 280.412 1.633 10 70 CDIEHN C[C@H](N[C@@H]1CCC[C@@H](O)C1)c1cccc(S(N)(=O)=O)c1 ZINC000218294652 538546408 /nfs/dbraw/zinc/54/64/08/538546408.db2.gz UZIYLHWPEHGXBN-CYZMBNFOSA-N 0 3 298.408 1.288 10 70 CDIEHN c1cn(CCN2CCCC[C@H]2CN2CCOCC2)cn1 ZINC000159857277 361882958 /nfs/dbraw/zinc/88/29/58/361882958.db2.gz DMKOHTUQLJQYJG-HNNXBMFYSA-N 0 3 278.400 1.070 10 70 CDIEHN C[C@@H](O)CCNCc1cncc(Br)c1 ZINC000160582092 362443841 /nfs/dbraw/zinc/44/38/41/362443841.db2.gz OFJFLVYWNPDGQV-MRVPVSSYSA-N 0 3 259.147 1.705 10 70 CDIEHN NC(=O)c1cccc(CN2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160766920 362491426 /nfs/dbraw/zinc/49/14/26/362491426.db2.gz GZMOHYPIPYZBQE-NVXWUHKLSA-N 0 3 288.391 1.913 10 70 CDIEHN C[C@@H](CNC(=O)c1cnc2c(c1)ncn2C)N(C)C1CC1 ZINC000160356622 364033296 /nfs/dbraw/zinc/03/32/96/364033296.db2.gz QZDCSWFSRIHDAW-JTQLQIEISA-N 0 3 287.367 1.181 10 70 CDIEHN Cc1cc(C(=O)NC[C@H](O)CN2CCCCC2)c(C)o1 ZINC000160330690 364335683 /nfs/dbraw/zinc/33/56/83/364335683.db2.gz DBEOLRZTSIFKOT-ZDUSSCGKSA-N 0 3 280.368 1.473 10 70 CDIEHN O=C(Cc1ccsc1)NC[C@H](O)CN1CCCCC1 ZINC000159937833 364283499 /nfs/dbraw/zinc/28/34/99/364283499.db2.gz VVTNWDRAOKKOII-ZDUSSCGKSA-N 0 3 282.409 1.254 10 70 CDIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(Cl)cn1 ZINC000160677270 364392376 /nfs/dbraw/zinc/39/23/76/364392376.db2.gz JJAVEMOFQGMEMG-LBPRGKRZSA-N 0 3 297.786 1.312 10 70 CDIEHN COc1cc(CN2C[C@H](C(N)=O)CC[C@H]2C)cc(OC)c1 ZINC000159586549 522402414 /nfs/dbraw/zinc/40/24/14/522402414.db2.gz AJAVYSIDZHFXRP-DGCLKSJQSA-N 0 3 292.379 1.790 10 70 CDIEHN COC(CN1CCC(Cc2nccn2C)CC1)OC ZINC000160969115 522529970 /nfs/dbraw/zinc/52/99/70/522529970.db2.gz WBOUJDARETYJMU-UHFFFAOYSA-N 0 3 267.373 1.294 10 70 CDIEHN CC(C)(C)NC(=O)CN1CCN(c2ccncc2)CC1 ZINC000161309165 539117565 /nfs/dbraw/zinc/11/75/65/539117565.db2.gz JIBUASPTFDLAEG-UHFFFAOYSA-N 0 3 276.384 1.118 10 70 CDIEHN C[C@@H](N)C(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000159549154 362280145 /nfs/dbraw/zinc/28/01/45/362280145.db2.gz COFJXYQBTCAEFS-NMKXLXIOSA-N 0 3 262.353 1.711 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCCSCC1 ZINC000160374162 362418886 /nfs/dbraw/zinc/41/88/86/362418886.db2.gz QZQIMGLQBKJXKI-ZOWXZIJZSA-N 0 3 298.452 1.484 10 70 CDIEHN Cc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)s1 ZINC000160672689 362466674 /nfs/dbraw/zinc/46/66/74/362466674.db2.gz FQBRFNZTCBYSIY-LBPRGKRZSA-N 0 3 282.409 1.633 10 70 CDIEHN CC(=O)N[C@@H](CC(=O)N1CCCNCC1)c1ccccc1 ZINC000160846834 361369930 /nfs/dbraw/zinc/36/99/30/361369930.db2.gz PEOOAZFCXXSFIG-HNNXBMFYSA-N 0 3 289.379 1.076 10 70 CDIEHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC[C@](C)(O)C1 ZINC000160471447 363893574 /nfs/dbraw/zinc/89/35/74/363893574.db2.gz FCKXAYAJTCQJKT-ZFWWWQNUSA-N 0 3 285.432 1.519 10 70 CDIEHN Cc1cccc2[nH]c(CNC(=O)CN(C)C(C)C)nc21 ZINC000160514555 363965308 /nfs/dbraw/zinc/96/53/08/363965308.db2.gz QWTZHELPAAUYOL-UHFFFAOYSA-N 0 3 274.368 1.828 10 70 CDIEHN Cc1cccc2nc(CNC(=O)CN(C)C(C)C)[nH]c21 ZINC000160514555 363965309 /nfs/dbraw/zinc/96/53/09/363965309.db2.gz QWTZHELPAAUYOL-UHFFFAOYSA-N 0 3 274.368 1.828 10 70 CDIEHN CN(C)C[C@H](NC(=O)[C@H]1CCCCO1)c1ccccc1 ZINC000160258636 364326374 /nfs/dbraw/zinc/32/63/74/364326374.db2.gz MEYADIJMNZIOAC-LSDHHAIUSA-N 0 3 276.380 1.975 10 70 CDIEHN C[C@@H](CO)N(C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000160567821 364375660 /nfs/dbraw/zinc/37/56/60/364375660.db2.gz NISIERBYRPWSIF-ZDUSSCGKSA-N 0 3 276.380 1.735 10 70 CDIEHN Cc1csc(=O)n1CCN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160688637 526311042 /nfs/dbraw/zinc/31/10/42/526311042.db2.gz FMGDGCUFRTVDBS-UKRRQHHQSA-N 0 3 296.436 1.845 10 70 CDIEHN CC1CC(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000160821862 362504129 /nfs/dbraw/zinc/50/41/29/362504129.db2.gz ZVLFVVHJROOXMI-BXXCZRMUSA-N 0 3 266.385 1.434 10 70 CDIEHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cnc2ccccn12 ZINC000159769350 363289489 /nfs/dbraw/zinc/28/94/89/363289489.db2.gz GTKCXACYJWYELK-RYUDHWBXSA-N 0 3 272.352 1.420 10 70 CDIEHN O=C(NCCc1cscn1)N1CC[C@@H](N2CC=CC2)C1 ZINC000159487814 358642737 /nfs/dbraw/zinc/64/27/37/358642737.db2.gz UILKLIGUXAIHOU-CYBMUJFWSA-N 0 3 292.408 1.341 10 70 CDIEHN CC(C)(C)OC(=O)NC[C@@H]1CCCN1CCn1ccnc1 ZINC000159858635 364274807 /nfs/dbraw/zinc/27/48/07/364274807.db2.gz VYTSCJNALNLEPP-ZDUSSCGKSA-N 0 3 294.399 1.872 10 70 CDIEHN Cc1cc(F)cc(C(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160291794 364330380 /nfs/dbraw/zinc/33/03/80/364330380.db2.gz ZJDFWCXEWLATEB-HNNXBMFYSA-N 0 3 294.370 1.711 10 70 CDIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C2(O)CCCCC2)C1 ZINC000161205000 377479307 /nfs/dbraw/zinc/47/93/07/377479307.db2.gz RLKUDKLPCWANFI-OLZOCXBDSA-N 0 3 268.401 1.527 10 70 CDIEHN CC(C)N1CC[C@H](N2CC[C@]3(O)CCCC[C@@H]3C2)C1=O ZINC000161011477 391578274 /nfs/dbraw/zinc/57/82/74/391578274.db2.gz SXAGAUDZEZEVBS-IJEWVQPXSA-N 0 3 280.412 1.623 10 70 CDIEHN Cc1cnccc1NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160516976 392506276 /nfs/dbraw/zinc/50/62/76/392506276.db2.gz WWOQEDRKCWSRJF-PVXIVEMSSA-N 0 3 289.379 1.861 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCSCC1 ZINC000160071734 147709138 /nfs/dbraw/zinc/70/91/38/147709138.db2.gz BKLWKJLDCZEHLC-WDMOLILDSA-N 0 3 284.425 1.094 10 70 CDIEHN CC[C@@H]1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000160800593 287086716 /nfs/dbraw/zinc/08/67/16/287086716.db2.gz DKUMQVRGDVLGPN-NFFDBFGFSA-N 0 3 280.412 1.777 10 70 CDIEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc[nH]c1=O ZINC000161232164 519340868 /nfs/dbraw/zinc/34/08/68/519340868.db2.gz MKGCPMWJVOZUSW-LLVKDONJSA-N 0 3 265.357 1.493 10 70 CDIEHN C[C@H](N)C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000161186170 524821896 /nfs/dbraw/zinc/82/18/96/524821896.db2.gz ZGCJQKFZDKSFKZ-LBPRGKRZSA-N 0 3 289.379 1.002 10 70 CDIEHN CCCOC(=O)[C@H](C)N1CCC(c2ccn[nH]2)CC1 ZINC000160071667 362017153 /nfs/dbraw/zinc/01/71/53/362017153.db2.gz DVEMRNSRVRMEPM-NSHDSACASA-N 0 3 265.357 1.931 10 70 CDIEHN CCC(CC)NC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000159965224 362381632 /nfs/dbraw/zinc/38/16/32/362381632.db2.gz PCYAEDWYJHAVFY-SLEUVZQESA-N 0 3 268.401 1.824 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N1CCCSCC1 ZINC000160374407 362419363 /nfs/dbraw/zinc/41/93/63/362419363.db2.gz QZQIMGLQBKJXKI-JMSVASOKSA-N 0 3 298.452 1.484 10 70 CDIEHN CCN1CCCN(C(=O)NCc2cccc(C)n2)CC1 ZINC000159708278 363212172 /nfs/dbraw/zinc/21/21/72/363212172.db2.gz VZKUTHWRIQTRSO-UHFFFAOYSA-N 0 3 276.384 1.627 10 70 CDIEHN CC1(OCC(=O)N[C@H]2CCCc3sccc32)CNC1 ZINC000161166025 482866028 /nfs/dbraw/zinc/86/60/28/482866028.db2.gz LORQSXNOHORXDS-NSHDSACASA-N 0 3 280.393 1.620 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCc1nccs1 ZINC000160365241 520646497 /nfs/dbraw/zinc/64/64/97/520646497.db2.gz LQIXZAVIAAFUHX-PXWWUCIGSA-N 0 3 295.408 1.292 10 70 CDIEHN CSCC[C@H](N)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000159791856 345267545 /nfs/dbraw/zinc/26/75/45/345267545.db2.gz ORODCIJTIJPLRZ-MCIONIFRSA-N 0 3 278.421 1.987 10 70 CDIEHN C[C@@H](N[C@@H](C)C(=O)NC1CC1)c1ccc(-n2ccnn2)cc1 ZINC000159846774 363377603 /nfs/dbraw/zinc/37/76/03/363377603.db2.gz WFRRPHNWXIZIRU-NEPJUHHUSA-N 0 3 299.378 1.585 10 70 CDIEHN CN(CCN(C)CC(C)(CO)CO)Cc1ccc(F)cc1 ZINC000160325082 357470115 /nfs/dbraw/zinc/47/01/15/357470115.db2.gz IGFUWIPNTHVXJM-UHFFFAOYSA-N 0 3 298.402 1.180 10 70 CDIEHN CCC[C@H](C(=O)NC[C@H](C(C)C)N1CCOCC1)N(C)C ZINC000161385371 377613144 /nfs/dbraw/zinc/61/31/44/377613144.db2.gz DZNHKDHOBZWOMU-HUUCEWRRSA-N 0 3 299.459 1.190 10 70 CDIEHN CCCn1nccc1CNC[C@H]1CN(CC)CCO1 ZINC000160215303 482788291 /nfs/dbraw/zinc/78/82/91/482788291.db2.gz PRWRJJHEXRUCPB-AWEZNQCLSA-N 0 3 266.389 1.103 10 70 CDIEHN CCc1nn(C)c(CC)c1CN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000159711238 361807504 /nfs/dbraw/zinc/80/75/04/361807504.db2.gz LUYILRMJWAYALX-NWDGAFQWSA-N 0 3 292.427 1.631 10 70 CDIEHN CCN(CC)C(=O)C1CCN(CCOCC2CC2)CC1 ZINC000159804528 361865402 /nfs/dbraw/zinc/86/54/02/361865402.db2.gz CXMWTMBVMDFEQV-UHFFFAOYSA-N 0 3 282.428 1.993 10 70 CDIEHN CCOCCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000160039850 362388564 /nfs/dbraw/zinc/38/85/64/362388564.db2.gz WZDYSOZCKPSNNX-SLEUVZQESA-N 0 3 284.400 1.062 10 70 CDIEHN C[C@@H]1CCCCN1CCNC(=O)[C@@H](O)c1ccccc1 ZINC000159540518 364230598 /nfs/dbraw/zinc/23/05/98/364230598.db2.gz JQFIWSIMEWRILE-HIFRSBDPSA-N 0 3 276.380 1.711 10 70 CDIEHN COC(CN1CCC[C@@H](c2nccs2)C1)OC ZINC000160786158 522534298 /nfs/dbraw/zinc/53/42/98/522534298.db2.gz HFICQIHOOOGBBH-SNVBAGLBSA-N 0 3 256.371 1.941 10 70 CDIEHN CCCCN(C)C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000160001032 361996153 /nfs/dbraw/zinc/99/61/53/361996153.db2.gz TXZWHVCLLFLGDO-SLEUVZQESA-N 0 3 268.401 1.777 10 70 CDIEHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccc(N(C)C)nc1 ZINC000159681005 539114558 /nfs/dbraw/zinc/11/45/58/539114558.db2.gz OOBQIENVUIAXEP-YPMHNXCESA-N 0 3 276.384 1.233 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1nccs1 ZINC000159952121 362381997 /nfs/dbraw/zinc/38/19/97/362381997.db2.gz ALRGFRPVCXCESW-RWEMILLDSA-N 0 3 281.381 1.614 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCc1ccccn1 ZINC000160031675 362388659 /nfs/dbraw/zinc/38/86/59/362388659.db2.gz XBCNDABBOWZOFQ-IOASZLSFSA-N 0 3 289.379 1.230 10 70 CDIEHN CCC[C@H](C(=O)N(C)Cc1cc(C)on1)N(C)C ZINC000161510939 377698333 /nfs/dbraw/zinc/69/83/33/377698333.db2.gz BCYAOAMBYOCKCP-GFCCVEGCSA-N 0 3 253.346 1.672 10 70 CDIEHN CCN(CC(=O)NCc1ccc(F)cc1)C[C@@](C)(O)CC ZINC000160368295 527910345 /nfs/dbraw/zinc/91/03/45/527910345.db2.gz LUBIOBYNTTXFPC-INIZCTEOSA-N 0 3 296.386 1.925 10 70 CDIEHN COc1cc(CN2C[C@@H](C(N)=O)CC[C@H]2C)cc(OC)c1 ZINC000159586274 361735922 /nfs/dbraw/zinc/73/59/22/361735922.db2.gz AJAVYSIDZHFXRP-YPMHNXCESA-N 0 3 292.379 1.790 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1cccc(O)c1 ZINC000160335699 362414767 /nfs/dbraw/zinc/41/47/67/362414767.db2.gz KMJHVQHVXJYVJY-IOASZLSFSA-N 0 3 290.363 1.863 10 70 CDIEHN CSC[C@H](C)NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160826870 362503352 /nfs/dbraw/zinc/50/33/52/362503352.db2.gz ONMXNNOZXMVHRA-BBGACYKPSA-N 0 3 286.441 1.387 10 70 CDIEHN CC[C@H](C(=O)N1CCO[C@H](c2cccs2)C1)N(C)C ZINC000159586465 364238123 /nfs/dbraw/zinc/23/81/23/364238123.db2.gz VGDCCVRJZHNQIP-NEPJUHHUSA-N 0 3 282.409 1.988 10 70 CDIEHN Cc1ccc(CC(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160702242 364397861 /nfs/dbraw/zinc/39/78/61/364397861.db2.gz OMDUHWKJSQVFSV-INIZCTEOSA-N 0 3 290.407 1.501 10 70 CDIEHN CCC[C@@H](C(=O)NCCCC(=O)OCC)N(C)C ZINC000159687224 292766164 /nfs/dbraw/zinc/76/61/64/292766164.db2.gz TZJCLKTYVZCMDU-NSHDSACASA-N 0 3 258.362 1.176 10 70 CDIEHN CCCCN(C)CCNC(=O)N1CCC[C@H](C(=O)OC)C1 ZINC000159807353 361868240 /nfs/dbraw/zinc/86/82/40/361868240.db2.gz GAMCOHBCCGKWHV-ZDUSSCGKSA-N 0 3 299.415 1.313 10 70 CDIEHN CCN1CCCN(C(=O)NCCCC2CC2)CC1 ZINC000159883043 539114981 /nfs/dbraw/zinc/11/49/81/539114981.db2.gz UQMBHQYBKKWACE-UHFFFAOYSA-N 0 3 253.390 1.914 10 70 CDIEHN O=C(NC1(CO)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000160210252 342371673 /nfs/dbraw/zinc/37/16/73/342371673.db2.gz MORJPLOQQSCNMH-HNNXBMFYSA-N 0 3 288.391 1.540 10 70 CDIEHN CCc1nn(C)c(CC)c1CNC[C@@H]1CCCN1C ZINC000160982138 346993689 /nfs/dbraw/zinc/99/36/89/346993689.db2.gz MRJQCENVGNENOQ-LBPRGKRZSA-N 0 3 264.417 1.729 10 70 CDIEHN CC(C)N(CCN(C)C)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000159516477 390940138 /nfs/dbraw/zinc/94/01/38/390940138.db2.gz HGAMMOVAMHLKOV-GFCCVEGCSA-N 0 3 294.403 1.095 10 70 CDIEHN CC[C@H](C)NC(=O)[C@H](C)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160748067 391507308 /nfs/dbraw/zinc/50/73/08/391507308.db2.gz ALGKZOPYQUELKN-TTZDDIAXSA-N 0 3 282.428 1.917 10 70 CDIEHN Cc1cccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)n1 ZINC000160061588 281242548 /nfs/dbraw/zinc/24/25/48/281242548.db2.gz COBSVWXEXIFDOG-PVXIVEMSSA-N 0 3 289.379 1.861 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ccc(F)cn1 ZINC000160609821 520647498 /nfs/dbraw/zinc/64/74/98/520647498.db2.gz OMKZLNXYTWBHKP-HCKVZZMMSA-N 0 3 293.342 1.692 10 70 CDIEHN COC[C@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159874508 363399527 /nfs/dbraw/zinc/39/95/27/363399527.db2.gz AFPAREKAABCOIF-NWDGAFQWSA-N 0 3 260.341 1.953 10 70 CDIEHN CCOC(=O)NCCCC(=O)N(C)C[C@H]1CCCN1CC ZINC000159998897 363563012 /nfs/dbraw/zinc/56/30/12/363563012.db2.gz FOYWEDDIZHDKAW-CYBMUJFWSA-N 0 3 299.415 1.455 10 70 CDIEHN COCc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)o1 ZINC000160599482 237182564 /nfs/dbraw/zinc/18/25/64/237182564.db2.gz MISUMHSQIBBQLD-LBPRGKRZSA-N 0 3 296.367 1.003 10 70 CDIEHN CNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1cccc(C)c1 ZINC000160230266 363777335 /nfs/dbraw/zinc/77/73/35/363777335.db2.gz LIHJIPRFBXAELE-GHMZBOCLSA-N 0 3 263.341 1.490 10 70 CDIEHN COc1ccc([C@@H](C)NCCO)cc1NC(C)=O ZINC000159707982 364254882 /nfs/dbraw/zinc/25/48/82/364254882.db2.gz YXHBSYDEELFJRN-SECBINFHSA-N 0 3 252.314 1.297 10 70 CDIEHN CCC[C@H](C(=O)NCCNC(=O)c1ccccc1)N(C)C ZINC000161411015 364489717 /nfs/dbraw/zinc/48/97/17/364489717.db2.gz QHQIXXRODHDPIZ-CQSZACIVSA-N 0 3 291.395 1.263 10 70 CDIEHN CCC[C@H](C(=O)N(C)Cc1nccn1C(F)F)N(C)C ZINC000161458108 364494979 /nfs/dbraw/zinc/49/49/79/364494979.db2.gz LUVPNPMZRQXBRM-SNVBAGLBSA-N 0 3 288.342 1.967 10 70 CDIEHN Cc1ccc2c(c1)[C@@H](N[C@H]1CCC(=O)N(C)C1=O)CC2 ZINC000160832509 281096928 /nfs/dbraw/zinc/09/69/28/281096928.db2.gz YLHHEBQXXQIACW-KBPBESRZSA-N 0 3 272.348 1.719 10 70 CDIEHN Cc1ccc2c(c1)[C@H](N[C@@H]1CCC(=O)N(C)C1=O)CC2 ZINC000160832103 281122734 /nfs/dbraw/zinc/12/27/34/281122734.db2.gz YLHHEBQXXQIACW-ZIAGYGMSSA-N 0 3 272.348 1.719 10 70 CDIEHN CCn1cc(C2CCN(CCC(=O)OC)CC2)cn1 ZINC000160638007 523355931 /nfs/dbraw/zinc/35/59/31/523355931.db2.gz PPZCLXTUNMTAFH-UHFFFAOYSA-N 0 3 265.357 1.646 10 70 CDIEHN NC1(C(=O)NC[C@H]2CCCC[C@H]2O)Cc2ccccc2C1 ZINC000159620790 361756743 /nfs/dbraw/zinc/75/67/43/361756743.db2.gz ZUXSVVGEFGPKSK-HUUCEWRRSA-N 0 3 288.391 1.150 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCCCC1 ZINC000160041624 362389816 /nfs/dbraw/zinc/38/98/16/362389816.db2.gz BABLJPQQLSDDAV-ZOWXZIJZSA-N 0 3 266.385 1.531 10 70 CDIEHN CC(C)c1ccc(N(C)C(=O)[C@@H]2C[C@@H](O)CN2)cc1 ZINC000161459162 373755305 /nfs/dbraw/zinc/75/53/05/373755305.db2.gz PIAAWFSUNZSCMD-KGLIPLIRSA-N 0 3 262.353 1.496 10 70 CDIEHN COc1ccccc1CN1C[C@H](C(N)=O)CC[C@H]1C ZINC000159655656 361763668 /nfs/dbraw/zinc/76/36/68/361763668.db2.gz MOLJQNFVDRUTTL-DGCLKSJQSA-N 0 3 262.353 1.781 10 70 CDIEHN CC(C)CCO[C@H]1CCN(C(=O)[C@H]2CCCCN2)C1 ZINC000160811876 361824356 /nfs/dbraw/zinc/82/43/56/361824356.db2.gz UMMHGEGEVFOQME-UONOGXRCSA-N 0 3 268.401 1.792 10 70 CDIEHN CCC[C@H](C(=O)N[C@H](C)CN1CCCCC1)N(C)C ZINC000159902803 363436750 /nfs/dbraw/zinc/43/67/50/363436750.db2.gz YHVSCKMICRGGSG-ZIAGYGMSSA-N 0 3 269.433 1.707 10 70 CDIEHN CCC[C@H](C(=O)NCCCn1nc(C)cc1C)N(C)C ZINC000161214549 364464202 /nfs/dbraw/zinc/46/42/02/364464202.db2.gz KLFYYGJUUAHTNJ-CQSZACIVSA-N 0 3 280.416 1.737 10 70 CDIEHN CCC[C@H](C(=O)N1CCN(c2ccccn2)CC1)N(C)C ZINC000161190338 364461367 /nfs/dbraw/zinc/46/13/67/364461367.db2.gz MHMFTRUDIDPYJI-CQSZACIVSA-N 0 3 290.411 1.461 10 70 CDIEHN CCCn1nccc1CNC[C@@H]1CN(CC)CCO1 ZINC000160215175 482788553 /nfs/dbraw/zinc/78/85/53/482788553.db2.gz PRWRJJHEXRUCPB-CQSZACIVSA-N 0 3 266.389 1.103 10 70 CDIEHN CC[C@@](C)(O)CN1CCC[C@H](c2nc(C)no2)C1 ZINC000160672344 523663822 /nfs/dbraw/zinc/66/38/22/523663822.db2.gz YIGILSBPBDHGCR-WCQYABFASA-N 0 3 253.346 1.718 10 70 CDIEHN COC[C@@H](C)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159874389 363398058 /nfs/dbraw/zinc/39/80/58/363398058.db2.gz AFPAREKAABCOIF-NEPJUHHUSA-N 0 3 260.341 1.953 10 70 CDIEHN COC[C@H](C)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159874256 363398207 /nfs/dbraw/zinc/39/82/07/363398207.db2.gz AFPAREKAABCOIF-RYUDHWBXSA-N 0 3 260.341 1.953 10 70 CDIEHN COc1ccc([C@H](C)NCCO)cc1NC(C)=O ZINC000159707843 364254460 /nfs/dbraw/zinc/25/44/60/364254460.db2.gz YXHBSYDEELFJRN-VIFPVBQESA-N 0 3 252.314 1.297 10 70 CDIEHN CC(C)N(C[C@@H](C)O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000160274400 377043494 /nfs/dbraw/zinc/04/34/94/377043494.db2.gz OKHVAEISJDBLNI-ZIAGYGMSSA-N 0 3 285.432 1.519 10 70 CDIEHN Cc1cc(C)c(C(=O)NC[C@H](O)CN2CCCCC2)o1 ZINC000160319170 280383144 /nfs/dbraw/zinc/38/31/44/280383144.db2.gz DCDHSEXUFCRWOY-ZDUSSCGKSA-N 0 3 280.368 1.473 10 70 CDIEHN CCC[C@H](C(=O)N1CCC[C@H](C(=O)OCC)C1)N(C)C ZINC000161180342 520973393 /nfs/dbraw/zinc/97/33/93/520973393.db2.gz UWMWKSIMGIGUPX-QWHCGFSZSA-N 0 3 284.400 1.518 10 70 CDIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cccnc1Cl ZINC000160131200 534626123 /nfs/dbraw/zinc/62/61/23/534626123.db2.gz BNDYDJNHQXRHBJ-NSHDSACASA-N 0 3 297.786 1.312 10 70 CDIEHN CC[C@H](C(=O)N1CC[C@@H](Oc2cccnc2)C1)N(C)C ZINC000160649988 523764557 /nfs/dbraw/zinc/76/45/57/523764557.db2.gz XASNVSXICNQWQK-ZIAGYGMSSA-N 0 3 277.368 1.402 10 70 CDIEHN CCCn1cc(CN2C[C@H](C(N)=O)CC[C@@H]2C)cn1 ZINC000159595025 361746428 /nfs/dbraw/zinc/74/64/28/361746428.db2.gz PLEQWSJGWZXPNK-WCQYABFASA-N 0 3 264.373 1.379 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1nncs1 ZINC000160065401 362391221 /nfs/dbraw/zinc/39/12/21/362391221.db2.gz XOYVNQXKLYRVTG-SXMVTHIZSA-N 0 3 282.369 1.009 10 70 CDIEHN CCC[C@H](C(=O)NCc1ccnc(OC)c1)N(C)C ZINC000161392571 188524815 /nfs/dbraw/zinc/52/48/15/188524815.db2.gz MBBYDMKZEKIZRI-GFCCVEGCSA-N 0 3 265.357 1.437 10 70 CDIEHN CSCC[C@H](N)C(=O)N1CC[C@H](OCCC(C)C)C1 ZINC000160815169 361167975 /nfs/dbraw/zinc/16/79/75/361167975.db2.gz VZZKICTWSSJWBG-STQMWFEESA-N 0 3 288.457 1.730 10 70 CDIEHN COc1cc(OC)c(OC)cc1CNC(C)(C)[C@H](C)O ZINC000161121698 361240060 /nfs/dbraw/zinc/24/00/60/361240060.db2.gz QRMVVIOLSKRWER-JTQLQIEISA-N 0 3 283.368 1.961 10 70 CDIEHN Cc1cc(F)ccc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160282969 364328939 /nfs/dbraw/zinc/32/89/39/364328939.db2.gz UBOAHHWUXWNEIY-AWEZNQCLSA-N 0 3 294.370 1.711 10 70 CDIEHN CCC[C@@H](C(=O)NCCNC(=O)c1ccccc1)N(C)C ZINC000161410859 364489236 /nfs/dbraw/zinc/48/92/36/364489236.db2.gz QHQIXXRODHDPIZ-AWEZNQCLSA-N 0 3 291.395 1.263 10 70 CDIEHN CCC[C@@H](C(=O)NCCCOCC(C)C)N(C)C ZINC000161310185 377566743 /nfs/dbraw/zinc/56/67/43/377566743.db2.gz DGIRDXDWDNSIEJ-ZDUSSCGKSA-N 0 3 258.406 1.896 10 70 CDIEHN Cc1ccc2c(c1)[C@@H](N[C@@H]1CCC(=O)N(C)C1=O)CC2 ZINC000160832230 281095804 /nfs/dbraw/zinc/09/58/04/281095804.db2.gz YLHHEBQXXQIACW-UONOGXRCSA-N 0 3 272.348 1.719 10 70 CDIEHN COC(CN1CCC[C@H](c2nccs2)C1)OC ZINC000160786028 522534141 /nfs/dbraw/zinc/53/41/41/522534141.db2.gz HFICQIHOOOGBBH-JTQLQIEISA-N 0 3 256.371 1.941 10 70 CDIEHN Cc1cc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)ccn1 ZINC000160648230 525238420 /nfs/dbraw/zinc/23/84/20/525238420.db2.gz OFZONQSPUQEBNV-DVOMOZLQSA-N 0 3 289.379 1.861 10 70 CDIEHN C[C@H](N)C(=O)N1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000159547708 362277649 /nfs/dbraw/zinc/27/76/49/362277649.db2.gz COFJXYQBTCAEFS-OWTLIXCDSA-N 0 3 262.353 1.711 10 70 CDIEHN C[C@@H](N)C(=O)N1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000159549413 362280169 /nfs/dbraw/zinc/28/01/69/362280169.db2.gz COFJXYQBTCAEFS-NRWUCQMLSA-N 0 3 262.353 1.711 10 70 CDIEHN CCCN(CC)C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000160103426 283163112 /nfs/dbraw/zinc/16/31/12/283163112.db2.gz JXWYRGAQHIDFJM-SLEUVZQESA-N 0 3 268.401 1.777 10 70 CDIEHN CCn1cnnc1[C@@H]1CCCN(CCOCC2CC2)C1 ZINC000160103731 237164712 /nfs/dbraw/zinc/16/47/12/237164712.db2.gz FBKBZHXADCSINT-CQSZACIVSA-N 0 3 278.400 1.904 10 70 CDIEHN O=C(Cc1cccs1)NC[C@H](O)CN1CCCCC1 ZINC000160654475 364390818 /nfs/dbraw/zinc/39/08/18/364390818.db2.gz COFYLBFQOOGYQF-LBPRGKRZSA-N 0 3 282.409 1.254 10 70 CDIEHN Cc1nc(C)c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)o1 ZINC000161176481 364459998 /nfs/dbraw/zinc/45/99/98/364459998.db2.gz YYUYSAFUDZJYSD-JOYOIKCWSA-N 0 3 265.357 1.750 10 70 CDIEHN COc1c(CN[C@H]2CCOC(C)(C)C2)c(C)nn1C ZINC000159778123 533420647 /nfs/dbraw/zinc/42/06/47/533420647.db2.gz RMHUHVVWDUPFFE-NSHDSACASA-N 0 3 267.373 1.784 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCC1CC1 ZINC000160615841 520647056 /nfs/dbraw/zinc/64/70/56/520647056.db2.gz KTQMWTLWOPZULS-JMSVASOKSA-N 0 3 266.385 1.435 10 70 CDIEHN CCCC(O)(CCC)CC(=O)N1CC[C@@H](N(C)C)C1 ZINC000161366571 528005067 /nfs/dbraw/zinc/00/50/67/528005067.db2.gz BQEJQKYEONQWRQ-CYBMUJFWSA-N 0 3 270.417 1.870 10 70 CDIEHN O[C@]12CCCC[C@H]1CN(CCOC[C@@H]1CCCO1)CC2 ZINC000161079485 539117172 /nfs/dbraw/zinc/11/71/72/539117172.db2.gz ZABXTTFWVBWSKR-JYJNAYRXSA-N 0 3 283.412 1.809 10 70 CDIEHN CCOCCCN1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000160128592 362033835 /nfs/dbraw/zinc/03/38/35/362033835.db2.gz CEBVSDQFOYIMSM-CYBMUJFWSA-N 0 3 256.390 1.650 10 70 CDIEHN CCC(CC)CNC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160535344 346161356 /nfs/dbraw/zinc/16/13/56/346161356.db2.gz PWYGCLBZPNJLNB-CQSZACIVSA-N 0 3 285.432 1.569 10 70 CDIEHN CN(C)Cc1cccc(NC(=O)NC2(CO)CC2)c1 ZINC000160648850 364119745 /nfs/dbraw/zinc/11/97/45/364119745.db2.gz SCCJSRIDVHBEKG-UHFFFAOYSA-N 0 3 263.341 1.395 10 70 CDIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(C(N)=O)s2)C1 ZINC000161200274 377196451 /nfs/dbraw/zinc/19/64/51/377196451.db2.gz UCUOUJZRDTWJDQ-ZJUUUORDSA-N 0 3 295.408 1.306 10 70 CDIEHN CC[C@H](N)C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000161074657 522331793 /nfs/dbraw/zinc/33/17/93/522331793.db2.gz ZMVRLIXZYGMXQE-NSHDSACASA-N 0 3 262.288 1.687 10 70 CDIEHN CCN1CCCN(C(=O)NCC2(C)CCC2)CC1 ZINC000159954451 361969183 /nfs/dbraw/zinc/96/91/83/361969183.db2.gz IBYWWYHADQCBHD-UHFFFAOYSA-N 0 3 253.390 1.914 10 70 CDIEHN CCCC(=O)N[C@@H]1CCCN(CCCOCC)C1 ZINC000160191293 345628932 /nfs/dbraw/zinc/62/89/32/345628932.db2.gz MQAMNTYZLFDJNO-CYBMUJFWSA-N 0 3 256.390 1.794 10 70 CDIEHN CCC[C@H](C(=O)NCC1(CCOC)CC1)N(C)C ZINC000159744120 363270147 /nfs/dbraw/zinc/27/01/47/363270147.db2.gz SDCWRUZRASVSKC-GFCCVEGCSA-N 0 3 256.390 1.650 10 70 CDIEHN Cc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)c(F)c1 ZINC000160588545 237182698 /nfs/dbraw/zinc/18/26/98/237182698.db2.gz BHNKYEIUUWWONT-ZDUSSCGKSA-N 0 3 294.370 1.711 10 70 CDIEHN CCC[C@H](C(=O)NCc1ccc(OC)nc1)N(C)C ZINC000161358569 292804526 /nfs/dbraw/zinc/80/45/26/292804526.db2.gz CBUJLINPHGXVFC-GFCCVEGCSA-N 0 3 265.357 1.437 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCc1cscn1 ZINC000160527295 520646108 /nfs/dbraw/zinc/64/61/08/520646108.db2.gz DLUCKCJXCAUMJI-GYSYKLTISA-N 0 3 295.408 1.292 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC[C@@H]1CCCCO1 ZINC000160405165 520647014 /nfs/dbraw/zinc/64/70/14/520647014.db2.gz OKOFMTPBZUTWRB-JFILPPLUSA-N 0 3 296.411 1.204 10 70 CDIEHN Cc1ccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)nc1 ZINC000160062653 362391033 /nfs/dbraw/zinc/39/10/33/362391033.db2.gz HAGHFAGXJAWELI-PVXIVEMSSA-N 0 3 289.379 1.861 10 70 CDIEHN C[C@H](NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)[C@H]1CCCO1 ZINC000160148349 362398370 /nfs/dbraw/zinc/39/83/70/362398370.db2.gz LQEJZIIVAKCAOX-SUNOKAMTSA-N 0 3 296.411 1.203 10 70 CDIEHN O=C1C[C@H](c2ccccc2)N(CCOCC2CC2)CCN1 ZINC000159481824 237151056 /nfs/dbraw/zinc/15/10/56/237151056.db2.gz ZMLNSMVZTBWQJI-MRXNPFEDSA-N 0 3 288.391 1.976 10 70 CDIEHN CC[C@H](C(=O)NCc1nc2c(cccc2C)[nH]1)N(C)C ZINC000160296181 363803115 /nfs/dbraw/zinc/80/31/15/363803115.db2.gz HDAWMKDSQJMJGJ-GFCCVEGCSA-N 0 3 274.368 1.828 10 70 CDIEHN CC[C@H](C(=O)NCc1nc2cccc(C)c2[nH]1)N(C)C ZINC000160296181 363803118 /nfs/dbraw/zinc/80/31/18/363803118.db2.gz HDAWMKDSQJMJGJ-GFCCVEGCSA-N 0 3 274.368 1.828 10 70 CDIEHN CCC(=O)N1CC[C@@H](C(=O)N[C@@H](CC(C)C)CN(C)C)C1 ZINC000160363173 363826078 /nfs/dbraw/zinc/82/60/78/363826078.db2.gz SJTKWJFHEGYDDX-KGLIPLIRSA-N 0 3 297.443 1.337 10 70 CDIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cc(F)ccc1F ZINC000160072274 364302364 /nfs/dbraw/zinc/30/23/64/364302364.db2.gz WEHSESLDBHKMEU-LBPRGKRZSA-N 0 3 298.333 1.541 10 70 CDIEHN NC(=O)CC1CCN(Cc2ccc(-n3cncn3)cc2)CC1 ZINC000159825640 139905611 /nfs/dbraw/zinc/90/56/11/139905611.db2.gz RAHYKCPXQVTDQI-UHFFFAOYSA-N 0 3 299.378 1.355 10 70 CDIEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000161121212 289312980 /nfs/dbraw/zinc/31/29/80/289312980.db2.gz MPTKNYZIVGBZOI-RQJABVFESA-N 0 3 293.411 1.290 10 70 CDIEHN CC[C@H](C)OCC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000161326545 292804667 /nfs/dbraw/zinc/80/46/67/292804667.db2.gz YBTFYUQVWCBTPW-STQMWFEESA-N 0 3 258.406 1.894 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCc1nccs1 ZINC000160365508 520646134 /nfs/dbraw/zinc/64/61/34/520646134.db2.gz LQIXZAVIAAFUHX-UDZFHETQSA-N 0 3 295.408 1.292 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1cccc(O)c1 ZINC000160335413 362414260 /nfs/dbraw/zinc/41/42/60/362414260.db2.gz KMJHVQHVXJYVJY-ZENOOKHLSA-N 0 3 290.363 1.863 10 70 CDIEHN COCc1ccc(CN2C[C@H](C(N)=O)CC[C@H]2C)o1 ZINC000159518382 361727863 /nfs/dbraw/zinc/72/78/63/361727863.db2.gz KRLWLVXVUFZQQS-GHMZBOCLSA-N 0 3 266.341 1.512 10 70 CDIEHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC[C@@](C)(O)C1 ZINC000160471203 363893334 /nfs/dbraw/zinc/89/33/34/363893334.db2.gz FCKXAYAJTCQJKT-DZGCQCFKSA-N 0 3 285.432 1.519 10 70 CDIEHN CNc1snc(C)c1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000161228442 364465766 /nfs/dbraw/zinc/46/57/66/364465766.db2.gz BYHRQQPKBJBRHX-ONGXEEELSA-N 0 3 296.440 1.952 10 70 CDIEHN CCC[C@@H](C(=O)NCCOc1ccccc1)N(C)C ZINC000161231062 364467176 /nfs/dbraw/zinc/46/71/76/364467176.db2.gz CPCANNCPLXAVIY-AWEZNQCLSA-N 0 3 264.369 1.912 10 70 CDIEHN CCCc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)n[nH]1 ZINC000160676230 482817255 /nfs/dbraw/zinc/81/72/55/482817255.db2.gz OPASZQXPBSJIMH-TXEJJXNPSA-N 0 3 262.357 1.329 10 70 CDIEHN COc1cc(NC(=O)COC2(C)CNC2)ccc1F ZINC000161260511 482870797 /nfs/dbraw/zinc/87/07/97/482870797.db2.gz ZBRBPHGIORJBLM-UHFFFAOYSA-N 0 3 268.288 1.151 10 70 CDIEHN CC[C@@](C)(O)CN1CCC(c2nc(C)no2)CC1 ZINC000160673972 523662671 /nfs/dbraw/zinc/66/26/71/523662671.db2.gz LXNOAUKSOSXUTD-CYBMUJFWSA-N 0 3 253.346 1.718 10 70 CDIEHN Cn1cc(CN2CC[C@H](CNc3ccccn3)C2)cn1 ZINC000160909886 527205059 /nfs/dbraw/zinc/20/50/59/527205059.db2.gz RJKJNKTWLXTYEU-CYBMUJFWSA-N 0 3 271.368 1.749 10 70 CDIEHN NC1(C(=O)NC[C@H]2CCCC[C@@H]2O)Cc2ccccc2C1 ZINC000159620528 361757016 /nfs/dbraw/zinc/75/70/16/361757016.db2.gz ZUXSVVGEFGPKSK-CABCVRRESA-N 0 3 288.391 1.150 10 70 CDIEHN Cc1ccc(O)c(CN2CCC(CC(N)=O)CC2)n1 ZINC000159744082 364260603 /nfs/dbraw/zinc/26/06/03/364260603.db2.gz GSFJFNIHXXEXJC-UHFFFAOYSA-N 0 3 263.341 1.183 10 70 CDIEHN Cc1ccc([O-])c(C[NH+]2CCC(CC(N)=O)CC2)n1 ZINC000159744082 364260605 /nfs/dbraw/zinc/26/06/05/364260605.db2.gz GSFJFNIHXXEXJC-UHFFFAOYSA-N 0 3 263.341 1.183 10 70 CDIEHN Cc1ccccc1CC(=O)NC[C@H](O)CN1CCCCC1 ZINC000160034657 364296956 /nfs/dbraw/zinc/29/69/56/364296956.db2.gz DTQZOIDXDHDGCZ-INIZCTEOSA-N 0 3 290.407 1.501 10 70 CDIEHN COc1ccccc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160672441 364393167 /nfs/dbraw/zinc/39/31/67/364393167.db2.gz ICPGRIKKJBDVAT-ZDUSSCGKSA-N 0 3 292.379 1.272 10 70 CDIEHN CC(C)CCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000159996423 392496090 /nfs/dbraw/zinc/49/60/90/392496090.db2.gz RVHZJTSOPRSESA-TYNCELHUSA-N 0 3 268.401 1.681 10 70 CDIEHN CC1(C)[C@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCC(C)(C)C1 ZINC000160676862 520685090 /nfs/dbraw/zinc/68/50/90/520685090.db2.gz ASMZKHOVCBVMBG-MQIPJXDCSA-N 0 3 280.412 1.777 10 70 CDIEHN CC1CCN(C(=O)N(C)CCN2CCCC2)CC1 ZINC000160562205 520981347 /nfs/dbraw/zinc/98/13/47/520981347.db2.gz VPWRAMRGXODWTB-UHFFFAOYSA-N 0 3 253.390 1.866 10 70 CDIEHN C[C@@H]1CN(C2CCN(CCn3ccnc3)CC2)CCO1 ZINC000159772527 361837695 /nfs/dbraw/zinc/83/76/95/361837695.db2.gz ONCNMRUSMDQTKT-CQSZACIVSA-N 0 3 278.400 1.068 10 70 CDIEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC[C@@H]1CCCOC1 ZINC000160290158 362409155 /nfs/dbraw/zinc/40/91/55/362409155.db2.gz ZGFIDEKERNQTHD-JFILPPLUSA-N 0 3 296.411 1.062 10 70 CDIEHN CCC[C@@H](C(=O)N[C@H](C)CN1CCCCC1)N(C)C ZINC000159902669 363436659 /nfs/dbraw/zinc/43/66/59/363436659.db2.gz YHVSCKMICRGGSG-KGLIPLIRSA-N 0 3 269.433 1.707 10 70 CDIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccnc(Cl)c1 ZINC000160374174 364342259 /nfs/dbraw/zinc/34/22/59/364342259.db2.gz KNJSKNFMDYVEGQ-LBPRGKRZSA-N 0 3 297.786 1.312 10 70 CDIEHN O=C(Cc1ccccc1F)NC[C@H](O)CN1CCCCC1 ZINC000160527425 364368005 /nfs/dbraw/zinc/36/80/05/364368005.db2.gz WPUVOHVMWDGBDD-AWEZNQCLSA-N 0 3 294.370 1.331 10 70 CDIEHN CCOCCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160039610 286070008 /nfs/dbraw/zinc/07/00/08/286070008.db2.gz WZDYSOZCKPSNNX-TYNCELHUSA-N 0 3 284.400 1.062 10 70 CDIEHN