smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cc1ccc(Cl)cc1 ZINC000218530412 206371336 /nfs/dbraw/zinc/37/13/36/206371336.db2.gz GFXVPOKSZXLYNQ-QGZVFWFLSA-N 0 0 359.853 4.310 40 70 FIIBRN COc1ccc(OCCCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 ZINC000218740557 206373413 /nfs/dbraw/zinc/37/34/13/206373413.db2.gz HQRNSGWIZWNWIK-LJQANCHMSA-N 0 0 369.461 4.273 40 70 FIIBRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000218756620 206373513 /nfs/dbraw/zinc/37/35/13/206373513.db2.gz ZTCUFWZAHMCNCF-RTBURBONSA-N 0 0 369.461 4.271 40 70 FIIBRN COc1ccc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 ZINC000218751219 206373967 /nfs/dbraw/zinc/37/39/67/206373967.db2.gz WKMLHBCZTJPLTK-HNAYVOBHSA-N 0 0 369.461 4.190 40 70 FIIBRN Cc1ccc2c(c1)[C@H](NC(=O)COc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000217831836 206365239 /nfs/dbraw/zinc/36/52/39/206365239.db2.gz RUVCFMNECFEGLJ-QGZVFWFLSA-N 0 0 359.853 4.446 40 70 FIIBRN COc1ccc(/C=C/C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 ZINC000217919426 206366211 /nfs/dbraw/zinc/36/62/11/206366211.db2.gz XBDDIFDOAHZFOV-BEBFYNPSSA-N 0 0 351.446 4.435 40 70 FIIBRN CC(C)(C)c1ccc(/C=C/C(=O)NCc2nc(-c3cccs3)no2)cc1 ZINC000217955521 206366906 /nfs/dbraw/zinc/36/69/06/206366906.db2.gz XMPUTJBNVIWLKK-DHZHZOJOSA-N 0 0 367.474 4.425 40 70 FIIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSc1ccccc1 ZINC000217973305 206367267 /nfs/dbraw/zinc/36/72/67/206367267.db2.gz BTPPKCKWTHIWBY-QGZVFWFLSA-N 0 0 357.475 4.206 40 70 FIIBRN Cc1ccc(C)c([C@H](C)NC(=O)CN2c3cccc4cccc(c34)C2=O)c1 ZINC000218315882 206369288 /nfs/dbraw/zinc/36/92/88/206369288.db2.gz CJQULNLXWBRJGR-INIZCTEOSA-N 0 0 358.441 4.294 40 70 FIIBRN CC(C)c1ccc(CCCNC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000217933905 519835524 /nfs/dbraw/zinc/83/55/24/519835524.db2.gz SPBVWHKPVSKRQO-XYOKQWHBSA-N 0 0 351.446 4.301 40 70 FIIBRN CC[C@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000218061350 522507121 /nfs/dbraw/zinc/50/71/21/522507121.db2.gz JVNZWZFRGSOVPG-YOEHRIQHSA-N 0 0 359.491 4.452 40 70 FIIBRN CC[C@@H](NC(=O)CCSc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000218083743 522679440 /nfs/dbraw/zinc/67/94/40/522679440.db2.gz WWLQFNISMKLUIW-QGZVFWFLSA-N 0 0 359.491 4.454 40 70 FIIBRN Cc1ccccc1CSCC(=O)NCCCN1CCCc2ccccc21 ZINC000218020239 525180854 /nfs/dbraw/zinc/18/08/54/525180854.db2.gz RDCXCLCSICSUHA-UHFFFAOYSA-N 0 0 368.546 4.187 40 70 FIIBRN Cc1ccccc1OC[C@@H](C)NC(=O)CSCc1ccc(Cl)cc1 ZINC000218042998 525305595 /nfs/dbraw/zinc/30/55/95/525305595.db2.gz OKQWZEMALKACEJ-OAHLLOKOSA-N 0 0 363.910 4.465 40 70 FIIBRN O=C1CS[C@@H](c2ccn(-c3ccccc3F)c2)N1Cc1ccccc1 ZINC000216673488 568134366 /nfs/dbraw/zinc/13/43/66/568134366.db2.gz QCWIZADGVCGFDU-FQEVSTJZSA-N 0 0 352.434 4.391 40 70 FIIBRN COc1ccccc1-n1ccc([C@H]2OCCN2c2ccccc2OC)c1 ZINC000216721927 568136531 /nfs/dbraw/zinc/13/65/31/568136531.db2.gz ULTZKPUSBXWXMG-OAQYLSRUSA-N 0 0 350.418 4.030 40 70 FIIBRN COc1cccc(-n2ccc([C@H]3OCCN3c3ccccc3OC)c2)c1 ZINC000216721473 568136565 /nfs/dbraw/zinc/13/65/65/568136565.db2.gz QTORBVCLSXIIER-OAQYLSRUSA-N 0 0 350.418 4.030 40 70 FIIBRN CCOc1cccc(-n2ccc([C@@H]3OCCN3c3ccccc3OC)c2)c1 ZINC000216722983 568136607 /nfs/dbraw/zinc/13/66/07/568136607.db2.gz YYLGOITZEMOFKQ-QFIPXVFZSA-N 0 0 364.445 4.420 40 70 FIIBRN CCOc1ccccc1-n1ccc([C@H]2OCCN2c2cccc(OC)c2)c1 ZINC000216725638 568136739 /nfs/dbraw/zinc/13/67/39/568136739.db2.gz WEIRAMITGDHZDL-JOCHJYFZSA-N 0 0 364.445 4.420 40 70 FIIBRN COc1ccc(CN2CCO[C@H]2c2ccn(-c3ccccc3F)c2)cc1 ZINC000216743406 222667742 /nfs/dbraw/zinc/66/77/42/222667742.db2.gz CKLYXLMLUINPPV-NRFANRHFSA-N 0 0 352.409 4.156 40 70 FIIBRN Brc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccco2)c1 ZINC000216747535 222667774 /nfs/dbraw/zinc/66/77/74/222667774.db2.gz LCZQQKLRIJJJPC-GOSISDBHSA-N 0 0 373.250 4.364 40 70 FIIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccc(C)cc1 ZINC000218535672 206372030 /nfs/dbraw/zinc/37/20/30/206372030.db2.gz LSUXOTUNDDPSGM-IBGZPJMESA-N 0 0 353.462 4.355 40 70 FIIBRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCCc1ccccc1Cl ZINC000218755005 206373063 /nfs/dbraw/zinc/37/30/63/206373063.db2.gz UKIGZUOMTIRZKF-LJQANCHMSA-N 0 0 361.869 4.255 40 70 FIIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000218702997 206373418 /nfs/dbraw/zinc/37/34/18/206373418.db2.gz MIZMYYOBSSLKIQ-UGSOOPFHSA-N 0 0 373.424 4.020 40 70 FIIBRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000218756665 206373698 /nfs/dbraw/zinc/37/36/98/206373698.db2.gz ZTCUFWZAHMCNCF-MOPGFXCFSA-N 0 0 369.461 4.271 40 70 FIIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCCOc1ccccc1 ZINC000218727379 206373932 /nfs/dbraw/zinc/37/39/32/206373932.db2.gz RTUPXAQSRJJNEU-IBGZPJMESA-N 0 0 369.461 4.273 40 70 FIIBRN CN(CCCNC(=O)CCCOc1ccc(Cl)cc1)c1ccccc1 ZINC000218739378 206373950 /nfs/dbraw/zinc/37/39/50/206373950.db2.gz MFPMSZVIDGIXEW-UHFFFAOYSA-N 0 0 360.885 4.142 40 70 FIIBRN CC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000217860310 206365581 /nfs/dbraw/zinc/36/55/81/206365581.db2.gz YUDVYHPWPURPHR-IBGZPJMESA-N 0 0 373.518 4.269 40 70 FIIBRN COc1ccccc1/C=C/C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000217967190 206367027 /nfs/dbraw/zinc/36/70/27/206367027.db2.gz RMVMIUUACREVNU-NCUBBLFSSA-N 0 0 351.446 4.435 40 70 FIIBRN COc1ccccc1/C=C/C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000217967258 206367373 /nfs/dbraw/zinc/36/73/73/206367373.db2.gz RMVMIUUACREVNU-KSEUIEODSA-N 0 0 351.446 4.435 40 70 FIIBRN Cc1ccc(OCCCC(=O)NCCCN2CCCc3ccccc32)cc1 ZINC000218734579 132273208 /nfs/dbraw/zinc/27/32/08/132273208.db2.gz UGUMJODHQYAEKY-UHFFFAOYSA-N 0 0 366.505 4.113 40 70 FIIBRN CC(C)Oc1ccc(CCCNC(=O)CSCc2ccccc2)cc1 ZINC000218008869 519778943 /nfs/dbraw/zinc/77/89/43/519778943.db2.gz IEMBLTMDIQLIOL-UHFFFAOYSA-N 0 0 357.519 4.456 40 70 FIIBRN COc1ccccc1CCCNC(=O)CSCc1ccccc1Cl ZINC000218028116 524401869 /nfs/dbraw/zinc/40/18/69/524401869.db2.gz ZCAKUAXYJMVDRI-UHFFFAOYSA-N 0 0 363.910 4.331 40 70 FIIBRN Cc1ccc(SCCC(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1 ZINC000218151579 525649559 /nfs/dbraw/zinc/64/95/59/525649559.db2.gz YJFQDONYPYYVOG-UHFFFAOYSA-N 0 0 367.474 4.186 40 70 FIIBRN COc1ccccc1-n1ccc([C@H]2SCC(=O)N2Cc2ccccc2)c1 ZINC000216674155 568134367 /nfs/dbraw/zinc/13/43/67/568134367.db2.gz NGERBZVMEYLFAJ-OAQYLSRUSA-N 0 0 364.470 4.260 40 70 FIIBRN O=C1CS[C@@H](c2ccn(-c3ccc(Cl)cc3)c2)N1Cc1ccco1 ZINC000216675990 568134525 /nfs/dbraw/zinc/13/45/25/568134525.db2.gz YTKXBHRGDCHJRW-SFHVURJKSA-N 0 0 358.850 4.498 40 70 FIIBRN CCOc1ccccc1-n1ccc([C@@H]2SCC(=O)N2Cc2ccco2)c1 ZINC000216677768 568134613 /nfs/dbraw/zinc/13/46/13/568134613.db2.gz YVLOYKMEDIHGOS-FQEVSTJZSA-N 0 0 368.458 4.243 40 70 FIIBRN CCOc1cccc(-n2ccc([C@@H]3SCC(=O)N3Cc3ccco3)c2)c1 ZINC000216677872 568134625 /nfs/dbraw/zinc/13/46/25/568134625.db2.gz JOPBETKWPJQKHM-FQEVSTJZSA-N 0 0 368.458 4.243 40 70 FIIBRN Cc1cc(NC(=O)COc2ccc(C(C)C)cc2)cc2sc(N)nc21 ZINC000216787002 571141665 /nfs/dbraw/zinc/14/16/65/571141665.db2.gz NCTVJUZKJDADSK-UHFFFAOYSA-N 0 0 355.463 4.328 40 70 FIIBRN CC[C@H](NC(=O)c1cc2cccc(OC)c2o1)c1ccc(OC)c(OC)c1 ZINC000218618257 206371364 /nfs/dbraw/zinc/37/13/64/206371364.db2.gz FRISVFIHDNMSGT-HNNXBMFYSA-N 0 0 369.417 4.340 40 70 FIIBRN COc1ccccc1CCCNC(=O)CCCOc1ccc(Cl)cc1 ZINC000218735405 206372772 /nfs/dbraw/zinc/37/27/72/206372772.db2.gz SSVJCFFTLSBCIL-UHFFFAOYSA-N 0 0 361.869 4.257 40 70 FIIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1cccc(C)c1 ZINC000218688763 206373327 /nfs/dbraw/zinc/37/33/27/206373327.db2.gz HPNAZJWEMYKBGN-BEFAXECRSA-N 0 0 369.461 4.190 40 70 FIIBRN COc1ccc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 ZINC000218751312 206373441 /nfs/dbraw/zinc/37/34/41/206373441.db2.gz WKMLHBCZTJPLTK-KXBFYZLASA-N 0 0 369.461 4.190 40 70 FIIBRN COc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1OC ZINC000217880115 206366069 /nfs/dbraw/zinc/36/60/69/206366069.db2.gz BZJJCSHSAXISEK-MRXNPFEDSA-N 0 0 355.434 4.044 40 70 FIIBRN CC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(C)cc1C ZINC000218129175 206367202 /nfs/dbraw/zinc/36/72/02/206367202.db2.gz KITGAGYQLFOSBA-QGZVFWFLSA-N 0 0 357.450 4.210 40 70 FIIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C=C/c1ccccc1OC ZINC000217967609 206367523 /nfs/dbraw/zinc/36/75/23/206367523.db2.gz RQSDRLBLJQSKQL-ZPHJMFTNSA-N 0 0 367.445 4.136 40 70 FIIBRN CN1C(=O)c2ccccc2N(C)[C@H]1c1ccn(-c2ccc(Cl)cc2)c1 ZINC000216712987 132271490 /nfs/dbraw/zinc/27/14/90/132271490.db2.gz VKJGQSDYFLHFCF-LJQANCHMSA-N 0 0 351.837 4.351 40 70 FIIBRN CCOc1ccc(CNC(=O)[C@H](C)SCc2ccccc2)cc1OCC ZINC000218065051 520994828 /nfs/dbraw/zinc/99/48/28/520994828.db2.gz HWQPBPYNVYAPGM-INIZCTEOSA-N 0 0 373.518 4.422 40 70 FIIBRN Cc1cccc(-c2noc(CNC(=O)CSc3ccc(Cl)cc3)n2)c1 ZINC000217983749 524131107 /nfs/dbraw/zinc/13/11/07/524131107.db2.gz NIQHWKCVSODFMJ-UHFFFAOYSA-N 0 0 373.865 4.107 40 70 FIIBRN Cc1ccc(CCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000218537323 524283393 /nfs/dbraw/zinc/28/33/93/524283393.db2.gz LBTDQWJCZIWPSE-UHFFFAOYSA-N 0 0 369.852 4.290 40 70 FIIBRN Cc1ccccc1OC[C@H](C)NC(=O)CSCc1ccccc1Cl ZINC000218029761 525310686 /nfs/dbraw/zinc/31/06/86/525310686.db2.gz WBIUVBOZUKLVND-HNNXBMFYSA-N 0 0 363.910 4.465 40 70 FIIBRN C[C@@H](SCc1ccccc1)C(=O)NCCCN1CCCc2ccccc21 ZINC000218076201 525977848 /nfs/dbraw/zinc/97/78/48/525977848.db2.gz UZEIZVZUPFDCJU-GOSISDBHSA-N 0 0 368.546 4.267 40 70 FIIBRN O=C(c1ccc(F)cc1)N1CCC(c2nnc(-c3ccccc3F)o2)CC1 ZINC000216630843 526688251 /nfs/dbraw/zinc/68/82/51/526688251.db2.gz OUSQJVHJYQSMMS-UHFFFAOYSA-N 0 0 369.371 4.035 40 70 FIIBRN O=C(CSCc1ccccc1Cl)NCCCc1ccc(F)cc1 ZINC000218028008 527025413 /nfs/dbraw/zinc/02/54/13/527025413.db2.gz CTRRYTYLYXHVOD-UHFFFAOYSA-N 0 0 351.874 4.461 40 70 FIIBRN COc1cccc(-c2nnc(-c3cnc(Cc4ccccc4)nc3C)o2)c1 ZINC000216664866 568133945 /nfs/dbraw/zinc/13/39/45/568133945.db2.gz HJJDQJIIFIDNJJ-UHFFFAOYSA-N 0 0 358.401 4.101 40 70 FIIBRN COc1cccc(N2CCO[C@@H]2c2ccn(-c3ccccc3OC)c2)c1 ZINC000216724562 568136651 /nfs/dbraw/zinc/13/66/51/568136651.db2.gz GLSNHCKBJSNEHE-OAQYLSRUSA-N 0 0 350.418 4.030 40 70 FIIBRN Brc1cccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)c1 ZINC000216746410 568137513 /nfs/dbraw/zinc/13/75/13/568137513.db2.gz LCXBVEBWFLRAPI-GOSISDBHSA-N 0 0 373.250 4.364 40 70 FIIBRN CCc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(Cl)c3)nn2)cc1 ZINC000216768489 568138517 /nfs/dbraw/zinc/13/85/17/568138517.db2.gz IQBHYVXBDRTDML-HXUWFJFHSA-N 0 0 368.868 4.078 40 70 FIIBRN NC(=O)c1cn(C(=O)c2ccc(OCc3ccccc3)cc2)c2ccccc12 ZINC000216946095 571153915 /nfs/dbraw/zinc/15/39/15/571153915.db2.gz SLWWHOWXACHZDQ-UHFFFAOYSA-N 0 0 370.408 4.008 40 70 FIIBRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(C)c(C)c1 ZINC000218722210 206373434 /nfs/dbraw/zinc/37/34/34/206373434.db2.gz YUAQBCQUEJDKSH-LJQANCHMSA-N 0 0 353.462 4.409 40 70 FIIBRN Cc1ccc(OCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000218710528 206373783 /nfs/dbraw/zinc/37/37/83/206373783.db2.gz KORKIJZSPCNXJI-MRXNPFEDSA-N 0 0 361.869 4.228 40 70 FIIBRN CCOc1ccc(-n2ccc([C@H]3N(C)c4ccccc4C(=O)N3C)c2)cc1 ZINC000216714001 132271498 /nfs/dbraw/zinc/27/14/98/132271498.db2.gz ZXAXTKBUZLSFDA-NRFANRHFSA-N 0 0 361.445 4.097 40 70 FIIBRN CC[C@H](NC(=O)CSCc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000218011448 522394022 /nfs/dbraw/zinc/39/40/22/522394022.db2.gz OYTBWAUGMXLBNC-KRWDZBQOSA-N 0 0 359.491 4.205 40 70 FIIBRN CC[C@@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000218061113 522758267 /nfs/dbraw/zinc/75/82/67/522758267.db2.gz JVNZWZFRGSOVPG-RHSMWYFYSA-N 0 0 359.491 4.452 40 70 FIIBRN Cc1ccc(OC[C@@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1 ZINC000218036812 525428624 /nfs/dbraw/zinc/42/86/24/525428624.db2.gz GFWPAUXTAWFZAZ-OAHLLOKOSA-N 0 0 363.910 4.465 40 70 FIIBRN O=C(/C=C/c1ccc(Cl)cc1)NCCCN1CCCc2ccccc21 ZINC000217963547 527607356 /nfs/dbraw/zinc/60/73/56/527607356.db2.gz ZGAQSGUNRYEYEM-JLHYYAGUSA-N 0 0 354.881 4.312 40 70 FIIBRN COc1cccc(N2CCO[C@H]2c2ccn(-c3ccccc3OC)c2)c1 ZINC000216724612 568136642 /nfs/dbraw/zinc/13/66/42/568136642.db2.gz GLSNHCKBJSNEHE-NRFANRHFSA-N 0 0 350.418 4.030 40 70 FIIBRN CCOc1ccccc1-n1ccc([C@@H]2OCCN2c2cccc(OC)c2)c1 ZINC000216725593 568136731 /nfs/dbraw/zinc/13/67/31/568136731.db2.gz WEIRAMITGDHZDL-QFIPXVFZSA-N 0 0 364.445 4.420 40 70 FIIBRN COc1ccc(CN2CCO[C@@H]2c2ccn(-c3cccc(F)c3)c2)cc1 ZINC000216744919 568137416 /nfs/dbraw/zinc/13/74/16/568137416.db2.gz OPDDGGKPCRRKGY-OAQYLSRUSA-N 0 0 352.409 4.156 40 70 FIIBRN COc1ccc(-n2ccc([C@@H]3OCCN3c3cccc(OC)c3)c2)cc1 ZINC000216724685 222667815 /nfs/dbraw/zinc/66/78/15/222667815.db2.gz CWGRFPVIJHKSBA-NRFANRHFSA-N 0 0 350.418 4.030 40 70 FIIBRN CC(C)Oc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 ZINC000218699710 206372876 /nfs/dbraw/zinc/37/28/76/206372876.db2.gz RWDHFINLSMKDJE-MRXNPFEDSA-N 0 0 359.441 4.129 40 70 FIIBRN Cc1cccc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 ZINC000218688220 206373233 /nfs/dbraw/zinc/37/32/33/206373233.db2.gz FEIQZORMAXPPQM-LPHOPBHVSA-N 0 0 353.462 4.489 40 70 FIIBRN CCN(Cc1nc(-c2cccs2)no1)C(=O)CCCOc1ccccc1 ZINC000218728800 206373362 /nfs/dbraw/zinc/37/33/62/206373362.db2.gz AXOYSHZBVDMTCS-UHFFFAOYSA-N 0 0 371.462 4.006 40 70 FIIBRN COc1cccc(CCCNC(=O)CCCOc2ccc(Cl)cc2)c1 ZINC000218735498 206373544 /nfs/dbraw/zinc/37/35/44/206373544.db2.gz WFDBQTNJPQXLJP-UHFFFAOYSA-N 0 0 361.869 4.257 40 70 FIIBRN COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)CC(C)(C)O2 ZINC000218702660 206373578 /nfs/dbraw/zinc/37/35/78/206373578.db2.gz OOUOUQYJRWFGGN-UGSOOPFHSA-N 0 0 373.424 4.020 40 70 FIIBRN CC(=O)OC[C@@]12CO[C@@H](c3ccc(N(C)C)cc3)[C@@H](C(C)=C[C@H]1C)[C@H]2C ZINC000217372068 206363040 /nfs/dbraw/zinc/36/30/40/206363040.db2.gz UFMOTNAISQKEDK-WTNADYDTSA-N 0 0 357.494 4.222 40 70 FIIBRN CC[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(C)cc1C ZINC000218129249 206367670 /nfs/dbraw/zinc/36/76/70/206367670.db2.gz KITGAGYQLFOSBA-KRWDZBQOSA-N 0 0 357.450 4.210 40 70 FIIBRN CCOc1ccc(CCCNC(=O)CSCc2ccccc2C)cc1 ZINC000218015642 520946189 /nfs/dbraw/zinc/94/61/89/520946189.db2.gz WJAXMLHWOUOMAP-UHFFFAOYSA-N 0 0 357.519 4.376 40 70 FIIBRN CN(CCCNC(=O)CSCc1ccccc1Cl)c1ccccc1 ZINC000218033980 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COc1ccc(-n2ccc([C@H]3OCCN3c3ccccc3OC)c2)cc1 ZINC000216722038 568136539 /nfs/dbraw/zinc/13/65/39/568136539.db2.gz FYNXYYNQYOLWII-OAQYLSRUSA-N 0 0 350.418 4.030 40 70 FIIBRN COc1ccc(CN2CCO[C@H]2c2ccn(-c3ccccc3OC)c2)cc1 ZINC000216744079 568137471 /nfs/dbraw/zinc/13/74/71/568137471.db2.gz DEOSRNXELFKPND-QFIPXVFZSA-N 0 0 364.445 4.026 40 70 FIIBRN CCOc1ccc(CNC(=O)c2cc3cccc(OC)c3o2)cc1OCC ZINC000218614558 206371503 /nfs/dbraw/zinc/37/15/03/206371503.db2.gz MKDNWKQDWXLQMJ-UHFFFAOYSA-N 0 0 369.417 4.169 40 70 FIIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cc(C)cc(C)c1 ZINC000218694855 206372810 /nfs/dbraw/zinc/37/28/10/206372810.db2.gz TVQJIZGNWOWSJO-IBGZPJMESA-N 0 0 369.461 4.109 40 70 FIIBRN COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)CC(C)(C)O2 ZINC000218702586 206373010 /nfs/dbraw/zinc/37/30/10/206373010.db2.gz OOUOUQYJRWFGGN-FZKQIMNGSA-N 0 0 373.424 4.020 40 70 FIIBRN CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000218700428 206373120 /nfs/dbraw/zinc/37/31/20/206373120.db2.gz 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VMOXTWXLLPNEJW-HXUWFJFHSA-N 0 0 352.459 4.407 40 70 FIIBRN CCOc1ccc(-n2ccc([C@@H]3SCC(=O)N3Cc3ccco3)c2)cc1 ZINC000216677006 568134544 /nfs/dbraw/zinc/13/45/44/568134544.db2.gz RXCHGGGOQMMGLY-FQEVSTJZSA-N 0 0 368.458 4.243 40 70 FIIBRN CCOc1ccc(CNC(=O)/C=C/c2ccccc2Cl)cc1OCC ZINC000217899081 568209996 /nfs/dbraw/zinc/20/99/96/568209996.db2.gz GNUKTZBIVBFGSV-ZRDIBKRKSA-N 0 0 359.853 4.467 40 70 FIIBRN COc1ccc(/C=C/C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1OC ZINC000217923809 568211186 /nfs/dbraw/zinc/21/11/86/568211186.db2.gz ZNZUMOATYKBCDJ-JICACKBISA-N 0 0 367.445 4.136 40 70 FIIBRN COc1ccc2c(c1)[C@H](NC(=O)CSc1ccccc1)CC(C)(C)O2 ZINC000217973108 568213200 /nfs/dbraw/zinc/21/32/00/568213200.db2.gz DXCFRHMJRFWMSG-QGZVFWFLSA-N 0 0 357.475 4.206 40 70 FIIBRN COc1cc(OC)cc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 ZINC000218175614 568220341 /nfs/dbraw/zinc/22/03/41/568220341.db2.gz NEGYUWRCVFUWJX-GOSISDBHSA-N 0 0 355.434 4.044 40 70 FIIBRN CCOc1ccc(CCCNC(=O)c2cc3cccc(OC)c3o2)cc1 ZINC000218616000 568242522 /nfs/dbraw/zinc/24/25/22/568242522.db2.gz HYHNXGBBYQAFMC-UHFFFAOYSA-N 0 0 353.418 4.203 40 70 FIIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1cccc(C)c1 ZINC000218688851 568246220 /nfs/dbraw/zinc/24/62/20/568246220.db2.gz HPNAZJWEMYKBGN-DNVCBOLYSA-N 0 0 369.461 4.190 40 70 FIIBRN CC(C)Oc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 ZINC000218699771 568246881 /nfs/dbraw/zinc/24/68/81/568246881.db2.gz RWDHFINLSMKDJE-INIZCTEOSA-N 0 0 359.441 4.129 40 70 FIIBRN Cc1cc(O[C@@H](C)C(=O)NCCCN(C)c2ccccc2)cc(C)c1Cl ZINC000218719167 568247989 /nfs/dbraw/zinc/24/79/89/568247989.db2.gz NTKQLAWWVICZPR-KRWDZBQOSA-N 0 0 374.912 4.367 40 70 FIIBRN COc1ccc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 ZINC000218751261 568249914 /nfs/dbraw/zinc/24/99/14/568249914.db2.gz WKMLHBCZTJPLTK-DNVCBOLYSA-N 0 0 369.461 4.190 40 70 FIIBRN COc1cc(OC)cc(C(=O)Nc2ccccc2C(=O)c2ccccc2)c1 ZINC000218174634 209665267 /nfs/dbraw/zinc/66/52/67/209665267.db2.gz LOMDBJWDZFUDLC-UHFFFAOYSA-N 0 0 361.397 4.187 40 70 FIIBRN COc1ccc2c(c1)[C@H](NC(=O)CSCc1ccccc1)CC(C)(C)O2 ZINC000218010679 209662492 /nfs/dbraw/zinc/66/24/92/209662492.db2.gz IZNZRHBOWRAGGM-GOSISDBHSA-N 0 0 371.502 4.347 40 70 FIIBRN Brc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccco2)c1 ZINC000216747491 209654122 /nfs/dbraw/zinc/65/41/22/209654122.db2.gz LCZQQKLRIJJJPC-SFHVURJKSA-N 0 0 373.250 4.364 40 70 FIIBRN COc1ccc(/C=C/C(=O)NCCCc2ccc(OC(C)C)cc2)cc1 ZINC000217917868 523391358 /nfs/dbraw/zinc/39/13/58/523391358.db2.gz AFZGHEAVBAAQJS-XNTDXEJSSA-N 0 0 353.462 4.245 40 70 FIIBRN COc1ccc(CCCNC(=O)CSCc2ccc(Cl)cc2)cc1 ZINC000218041912 523935528 /nfs/dbraw/zinc/93/55/28/523935528.db2.gz HWNYPEHAZCPRAB-UHFFFAOYSA-N 0 0 363.910 4.331 40 70 FIIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccccc1 ZINC000218010855 525554034 /nfs/dbraw/zinc/55/40/34/525554034.db2.gz MVOKHZCCQZNOQD-GOSISDBHSA-N 0 0 371.502 4.347 40 70 FIIBRN Cc1ccc(SCCC(=O)NCCCN2CCCc3ccccc32)cc1 ZINC000218152633 525653046 /nfs/dbraw/zinc/65/30/46/525653046.db2.gz BCAPGTXDMIXETM-UHFFFAOYSA-N 0 0 368.546 4.436 40 70 FIIBRN Cc1ccc(S[C@H](C)C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000218143248 525668270 /nfs/dbraw/zinc/66/82/70/525668270.db2.gz ULZRPIYOPVPZOU-OAHLLOKOSA-N 0 0 367.474 4.150 40 70 FIIBRN COc1cccc(CCCNC(=O)CSCc2ccc(Cl)cc2)c1 ZINC000218041808 525885641 /nfs/dbraw/zinc/88/56/41/525885641.db2.gz KNWUPBAQQXLLLR-UHFFFAOYSA-N 0 0 363.910 4.331 40 70 FIIBRN C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCN(C)c1ccccc1 ZINC000217996602 525988272 /nfs/dbraw/zinc/98/82/72/525988272.db2.gz UYTCDWOUTLFQKX-HNNXBMFYSA-N 0 0 362.926 4.463 40 70 FIIBRN C[C@@H](Sc1ccccc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000218062583 525992382 /nfs/dbraw/zinc/99/23/82/525992382.db2.gz RIQBMHIHDTYUHN-GFCCVEGCSA-N 0 0 373.865 4.187 40 70 FIIBRN CCOc1ccccc1-n1ccc([C@@H]2OCCN2c2ccccc2OC)c1 ZINC000216722871 568136589 /nfs/dbraw/zinc/13/65/89/568136589.db2.gz RDQSYYGUCDLOGC-QFIPXVFZSA-N 0 0 364.445 4.420 40 70 FIIBRN COc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccc(F)cc3)c2)cc1 ZINC000216743476 568137391 /nfs/dbraw/zinc/13/73/91/568137391.db2.gz HGYMXFCBWACNRB-OAQYLSRUSA-N 0 0 352.409 4.156 40 70 FIIBRN COc1ccc(CN2CCO[C@@H]2c2ccn(-c3cccc(OC)c3)c2)cc1 ZINC000216743583 568137405 /nfs/dbraw/zinc/13/74/05/568137405.db2.gz UHAPSQSWWMSXOI-JOCHJYFZSA-N 0 0 364.445 4.026 40 70 FIIBRN COc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1OC ZINC000217880213 568209208 /nfs/dbraw/zinc/20/92/08/568209208.db2.gz BZJJCSHSAXISEK-INIZCTEOSA-N 0 0 355.434 4.044 40 70 FIIBRN Cc1cccc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 ZINC000218687884 568246210 /nfs/dbraw/zinc/24/62/10/568246210.db2.gz VRRLHYXIAASDRU-LPHOPBHVSA-N 0 0 353.462 4.489 40 70 FIIBRN CC(C)Oc1cccc(CCCNC(=O)CCCOc2ccccc2)c1 ZINC000218725526 568248254 /nfs/dbraw/zinc/24/82/54/568248254.db2.gz ZOUJOSLLTLODKY-UHFFFAOYSA-N 0 0 355.478 4.382 40 70 FIIBRN COc1ccc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 ZINC000218751355 568249900 /nfs/dbraw/zinc/24/99/00/568249900.db2.gz WKMLHBCZTJPLTK-BEFAXECRSA-N 0 0 369.461 4.190 40 70 FIIBRN COc1ccc(O[C@@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)cc1 ZINC000218754161 568250117 /nfs/dbraw/zinc/25/01/17/568250117.db2.gz XNMGNCWFHKDTBO-KRWDZBQOSA-N 0 0 355.478 4.335 40 70 FIIBRN NC(=O)c1cn(C(=O)c2cccc(OCc3ccccc3)c2)c2ccccc12 ZINC000216944981 571153932 /nfs/dbraw/zinc/15/39/32/571153932.db2.gz VNZITRFMBJRVPX-UHFFFAOYSA-N 0 0 370.408 4.008 40 70 FIIBRN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000218699435 209669624 /nfs/dbraw/zinc/66/96/24/209669624.db2.gz ZKTKHBBQMALXPJ-HNNXBMFYSA-N 0 0 363.388 4.463 40 70 FIIBRN CN1C(=O)c2ccccc2N(C)[C@H]1c1ccn(-c2ccccc2Cl)c1 ZINC000216712750 132271729 /nfs/dbraw/zinc/27/17/29/132271729.db2.gz HFSVTYJLCBSCLK-LJQANCHMSA-N 0 0 351.837 4.351 40 70 FIIBRN Cc1ccccc1CSCCNC(=O)c1ccccc1Br ZINC000218220452 525184110 /nfs/dbraw/zinc/18/41/10/525184110.db2.gz JHUBHNPNTQYWGI-UHFFFAOYSA-N 0 0 364.308 4.421 40 70 FIIBRN Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Sc3ccccc3)n2)cc1 ZINC000218063355 525878077 /nfs/dbraw/zinc/87/80/77/525878077.db2.gz LACCOWXJYSBLMN-OAHLLOKOSA-N 0 0 367.474 4.184 40 70 FIIBRN CCOc1ccccc1-n1ccc([C@H]2N(C)c3ccccc3C(=O)N2C)c1 ZINC000216714805 535483363 /nfs/dbraw/zinc/48/33/63/535483363.db2.gz AZPYNWOLSJOVRP-NRFANRHFSA-N 0 0 361.445 4.097 40 70 FIIBRN Cc1ccccc1-c1nnc([C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)o1 ZINC000216647539 568133189 /nfs/dbraw/zinc/13/31/89/568133189.db2.gz VUZWIXLFOHXNLM-MRXNPFEDSA-N 0 0 365.408 4.204 40 70 FIIBRN CCc1ccccc1-n1ccc([C@H]2SCC(=O)N2Cc2ccco2)c1 ZINC000216677488 568134587 /nfs/dbraw/zinc/13/45/87/568134587.db2.gz QGQIBLJZVSGCCX-HXUWFJFHSA-N 0 0 352.459 4.407 40 70 FIIBRN COc1ccc(-n2ccc([C@H]3OCCN3c3cccc(OC)c3)c2)cc1 ZINC000216724734 568136631 /nfs/dbraw/zinc/13/66/31/568136631.db2.gz CWGRFPVIJHKSBA-OAQYLSRUSA-N 0 0 350.418 4.030 40 70 FIIBRN CCCOc1ccccc1CCCNC(=O)/C=C/c1ccc(OC)cc1 ZINC000217918401 568210912 /nfs/dbraw/zinc/21/09/12/568210912.db2.gz AYUQLQCIMZYCEF-NTCAYCPXSA-N 0 0 353.462 4.246 40 70 FIIBRN COc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccccc1OC)CC(C)(C)O2 ZINC000217967433 568213001 /nfs/dbraw/zinc/21/30/01/568213001.db2.gz IXPDTDURQLCTML-ZPHJMFTNSA-N 0 0 367.445 4.136 40 70 FIIBRN COc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000218530239 568238242 /nfs/dbraw/zinc/23/82/42/568238242.db2.gz RFBGUJXZJWMVQP-QGZVFWFLSA-N 0 0 359.853 4.310 40 70 FIIBRN COc1cccc2cc(C(=O)NCc3ccc(OC(C)C)c(OC)c3)oc21 ZINC000218614656 568242429 /nfs/dbraw/zinc/24/24/29/568242429.db2.gz SIOOCENNUDZGBL-UHFFFAOYSA-N 0 0 369.417 4.167 40 70 FIIBRN Cc1ccc(OCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000218664173 568244671 /nfs/dbraw/zinc/24/46/71/568244671.db2.gz HRXZJDORJFWOCG-KRWDZBQOSA-N 0 0 355.478 4.255 40 70 FIIBRN COc1ccc2c(c1)[C@@H](NC(=O)CCCOc1ccccc1)CC(C)(C)O2 ZINC000218727181 568248288 /nfs/dbraw/zinc/24/82/88/568248288.db2.gz ROXIQNSOILAECZ-IBGZPJMESA-N 0 0 369.461 4.273 40 70 FIIBRN Cc1c(C(N)=O)c2ccccc2n1C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000216724357 571141337 /nfs/dbraw/zinc/14/13/37/571141337.db2.gz DGXJVQCGSMSDFY-UHFFFAOYSA-N 0 0 364.445 4.065 40 70 FIIBRN Brc1cccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)c1 ZINC000216746361 222668002 /nfs/dbraw/zinc/66/80/02/222668002.db2.gz LCXBVEBWFLRAPI-SFHVURJKSA-N 0 0 373.250 4.364 40 70 FIIBRN COc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc(F)cc1)CC(C)(C)O2 ZINC000217913500 222674698 /nfs/dbraw/zinc/67/46/98/222674698.db2.gz LNHGVKZANKEALN-PMQIGOLDSA-N 0 0 355.409 4.266 40 70 FIIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCCOc1ccccc1 ZINC000218727472 222686568 /nfs/dbraw/zinc/68/65/68/222686568.db2.gz RTUPXAQSRJJNEU-LJQANCHMSA-N 0 0 369.461 4.273 40 70 FIIBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(C)c(C)c1 ZINC000218722131 222686685 /nfs/dbraw/zinc/68/66/85/222686685.db2.gz YUAQBCQUEJDKSH-IBGZPJMESA-N 0 0 353.462 4.409 40 70 FIIBRN COC(=O)c1c(C)n(C(=O)COc2ccc(C)c(C)c2)c2ccccc21 ZINC000218738309 222687377 /nfs/dbraw/zinc/68/73/77/222687377.db2.gz FWRWRJGVTXILNH-UHFFFAOYSA-N 0 0 351.402 4.072 40 70 FIIBRN CCOc1ccc(CCCNC(=O)CSCc2ccc(OC)cc2)cc1 ZINC000218114232 520947950 /nfs/dbraw/zinc/94/79/50/520947950.db2.gz OXRYNLNPKLZOHM-UHFFFAOYSA-N 0 0 373.518 4.076 40 70 FIIBRN COc1cc(CNC(=O)CSCc2ccccc2C)ccc1OC(C)C ZINC000218013754 522413072 /nfs/dbraw/zinc/41/30/72/522413072.db2.gz ZZKYFKYYGNTXLF-UHFFFAOYSA-N 0 0 373.518 4.340 40 70 FIIBRN COc1cc(CNC(=O)CSc2ccc(C)cc2)ccc1OC(C)C ZINC000217975072 522413292 /nfs/dbraw/zinc/41/32/92/522413292.db2.gz NTSJCUHYCGSIBE-UHFFFAOYSA-N 0 0 359.491 4.199 40 70 FIIBRN CC[C@@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000218061265 522766831 /nfs/dbraw/zinc/76/68/31/522766831.db2.gz JVNZWZFRGSOVPG-WMLDXEAASA-N 0 0 359.491 4.452 40 70 FIIBRN COc1ccc(CSCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 ZINC000218114143 524123087 /nfs/dbraw/zinc/12/30/87/524123087.db2.gz XKKVRVJUVJKMEN-SFHVURJKSA-N 0 0 371.502 4.347 40 70 FIIBRN Cc1ccccc1OC[C@@H](C)NC(=O)CSCc1cccc(Cl)c1 ZINC000218036607 525305481 /nfs/dbraw/zinc/30/54/81/525305481.db2.gz UKDPFUQPRVFSGU-OAHLLOKOSA-N 0 0 363.910 4.465 40 70 FIIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccccc1 ZINC000218010771 525553343 /nfs/dbraw/zinc/55/33/43/525553343.db2.gz MVOKHZCCQZNOQD-SFHVURJKSA-N 0 0 371.502 4.347 40 70 FIIBRN O=C(NCCCN1CCCc2ccccc21)c1ccccc1Br ZINC000218223468 527666949 /nfs/dbraw/zinc/66/69/49/527666949.db2.gz AWPZQYLEAJYYQO-UHFFFAOYSA-N 0 0 373.294 4.022 40 70 FIIBRN Cc1ccc(-c2nnc([C@@H]3CCCN(C(=O)c4cccs4)C3)o2)cc1 ZINC000216650033 568133270 /nfs/dbraw/zinc/13/32/70/568133270.db2.gz SMQQOYKHNDFZLI-OAHLLOKOSA-N 0 0 353.447 4.126 40 70 FIIBRN CCOc1cccc(-n2ccc([C@H]3SCC(=O)N3Cc3ccco3)c2)c1 ZINC000216677917 568134596 /nfs/dbraw/zinc/13/45/96/568134596.db2.gz JOPBETKWPJQKHM-HXUWFJFHSA-N 0 0 368.458 4.243 40 70 FIIBRN CCOc1ccc(-n2ccc([C@H]3OCCN3c3ccccc3OC)c2)cc1 ZINC000216722141 568136549 /nfs/dbraw/zinc/13/65/49/568136549.db2.gz QHQLXPDHNYQLBM-JOCHJYFZSA-N 0 0 364.445 4.420 40 70 FIIBRN COc1ccc(-n2ccc([C@@H]3OCCN3c3ccccc3OC)c2)cc1 ZINC000216721988 568136550 /nfs/dbraw/zinc/13/65/50/568136550.db2.gz FYNXYYNQYOLWII-NRFANRHFSA-N 0 0 350.418 4.030 40 70 FIIBRN CCc1ccc(N2CCO[C@H]2c2cn(Cc3ccc(Cl)cc3)nn2)cc1 ZINC000216768642 568138474 /nfs/dbraw/zinc/13/84/74/568138474.db2.gz ISDQPUNVVPRBAC-FQEVSTJZSA-N 0 0 368.868 4.078 40 70 FIIBRN Cc1cccc(O[C@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)c1 ZINC000218685326 568245972 /nfs/dbraw/zinc/24/59/72/568245972.db2.gz BSUGAQLIUKXRSN-GOSISDBHSA-N 0 0 355.478 4.299 40 70 FIIBRN Cc1cccc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 ZINC000218688295 568246176 /nfs/dbraw/zinc/24/61/76/568246176.db2.gz FEIQZORMAXPPQM-APWZRJJASA-N 0 0 353.462 4.489 40 70 FIIBRN CCOc1cc(C(=O)OC)ccc1OC(=O)c1cccc2ccccc21 ZINC000216776513 571141294 /nfs/dbraw/zinc/14/12/94/571141294.db2.gz CXSUXMAIPVQRQL-UHFFFAOYSA-N 0 0 350.370 4.244 40 70 FIIBRN Cc1ccc2c(c1)[C@H](NC(=O)COc1cc(C)cc(C)c1)CC(C)(C)O2 ZINC000218694340 222686670 /nfs/dbraw/zinc/68/66/70/222686670.db2.gz NSWFTIGEYRYZOY-LJQANCHMSA-N 0 0 353.462 4.409 40 70 FIIBRN CC(C)Oc1cccc(CNC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000217834098 519783008 /nfs/dbraw/zinc/78/30/08/519783008.db2.gz NPINJWMJHPTNFU-UHFFFAOYSA-N 0 0 368.260 4.476 40 70 FIIBRN CC[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 ZINC000217833032 522388874 /nfs/dbraw/zinc/38/88/74/522388874.db2.gz VMBUKGWQIHIRJB-INIZCTEOSA-N 0 0 363.841 4.004 40 70 FIIBRN COc1cc(CNC(=O)CCSc2ccccc2)ccc1OC(C)C ZINC000218079333 522410347 /nfs/dbraw/zinc/41/03/47/522410347.db2.gz JWOIFEXZCMOWLB-UHFFFAOYSA-N 0 0 359.491 4.281 40 70 FIIBRN COc1ccc(OC[C@@H](C)NC(=O)CCSc2ccc(C)cc2)cc1 ZINC000218147478 524965095 /nfs/dbraw/zinc/96/50/95/524965095.db2.gz XHJLFACXGJORGB-MRXNPFEDSA-N 0 0 359.491 4.070 40 70 FIIBRN Cc1ccc(OC[C@H](C)NC(=O)CSCc2ccccc2Cl)cc1 ZINC000218029958 525435526 /nfs/dbraw/zinc/43/55/26/525435526.db2.gz KNYKLPHOFWODOJ-HNNXBMFYSA-N 0 0 363.910 4.465 40 70 FIIBRN Cc1ccc(SCC(=O)NCCCN2CCCc3ccccc32)cc1 ZINC000217979849 525645715 /nfs/dbraw/zinc/64/57/15/525645715.db2.gz ZQXRZNJSLQRYDY-UHFFFAOYSA-N 0 0 354.519 4.046 40 70 FIIBRN Cc1ccc(S[C@@H](C)C(=O)NCCCN2CCCc3ccccc32)cc1 ZINC000218146281 525667405 /nfs/dbraw/zinc/66/74/05/525667405.db2.gz GIXLQYPILHSEDF-SFHVURJKSA-N 0 0 368.546 4.435 40 70 FIIBRN O=C(CCSc1ccccc1)NCCCN1CCCc2ccccc21 ZINC000218085640 526542694 /nfs/dbraw/zinc/54/26/94/526542694.db2.gz CTSAHNQDJVMKEK-UHFFFAOYSA-N 0 0 354.519 4.128 40 70 FIIBRN O=C(NCc1nc(-c2ccccc2)no1)/C(=C/c1ccco1)c1ccccc1 ZINC000218106576 526817499 /nfs/dbraw/zinc/81/74/99/526817499.db2.gz KQLAANAMZSTAFP-XMHGGMMESA-N 0 0 371.396 4.187 40 70 FIIBRN COc1ccccc1-n1ccc([C@@H]2OCCN2c2ccccc2OC)c1 ZINC000216721886 568136516 /nfs/dbraw/zinc/13/65/16/568136516.db2.gz ULTZKPUSBXWXMG-NRFANRHFSA-N 0 0 350.418 4.030 40 70 FIIBRN Brc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)cc1 ZINC000216746599 568137517 /nfs/dbraw/zinc/13/75/17/568137517.db2.gz LAGIEEBZVUUHAG-SFHVURJKSA-N 0 0 373.250 4.364 40 70 FIIBRN COc1ccc(/C=C/C(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 ZINC000217919641 568210964 /nfs/dbraw/zinc/21/09/64/568210964.db2.gz PGGMSVZCJRIPSL-UBIUBJKMSA-N 0 0 367.445 4.136 40 70 FIIBRN COc1ccc2c(c1)[C@H](NC(=O)c1ccccc1SC)CC(C)(C)O2 ZINC000218193188 568221171 /nfs/dbraw/zinc/22/11/71/568221171.db2.gz MFISVEATIQJADC-MRXNPFEDSA-N 0 0 357.475 4.449 40 70 FIIBRN COc1ccc2c(c1)[C@H](NC(=O)COc1cc(C)cc(C)c1)CC(C)(C)O2 ZINC000218694745 568246620 /nfs/dbraw/zinc/24/66/20/568246620.db2.gz PTEBCSSZQQJJKW-LJQANCHMSA-N 0 0 369.461 4.109 40 70 FIIBRN CCCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc(OC)cc1 ZINC000218750310 568249833 /nfs/dbraw/zinc/24/98/33/568249833.db2.gz UJENYYKFAHPPKZ-KRWDZBQOSA-N 0 0 371.477 4.000 40 70 FIIBRN Cc1ccc(-c2nnc([C@H]3CCCN(C(=O)c4cccs4)C3)o2)cc1 ZINC000216650084 222666883 /nfs/dbraw/zinc/66/68/83/222666883.db2.gz SMQQOYKHNDFZLI-HNNXBMFYSA-N 0 0 353.447 4.126 40 70 FIIBRN Cc1ccc(-c2nnc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)o2)cc1 ZINC000216649812 222667159 /nfs/dbraw/zinc/66/71/59/222667159.db2.gz DUAJSPOCLALWRW-QGZVFWFLSA-N 0 0 365.408 4.204 40 70 FIIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(C)c(C)c1 ZINC000218722571 222686810 /nfs/dbraw/zinc/68/68/10/222686810.db2.gz OTDOHVINIFUEOY-LJQANCHMSA-N 0 0 369.461 4.109 40 70 FIIBRN COc1ccc2c(c1)[C@H](NC(=O)CCCOc1ccccc1)CC(C)(C)O2 ZINC000218727261 222687006 /nfs/dbraw/zinc/68/70/06/222687006.db2.gz ROXIQNSOILAECZ-LJQANCHMSA-N 0 0 369.461 4.273 40 70 FIIBRN CN1C(=O)c2ccccc2N(C)[C@@H]1c1ccn(-c2ccc(Cl)cc2)c1 ZINC000216712936 132271640 /nfs/dbraw/zinc/27/16/40/132271640.db2.gz VKJGQSDYFLHFCF-IBGZPJMESA-N 0 0 351.837 4.351 40 70 FIIBRN COc1cc(C(=O)NCCCc2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000218130422 522107858 /nfs/dbraw/zinc/10/78/58/522107858.db2.gz MPAJSHBRTGAADZ-UHFFFAOYSA-N 0 0 371.477 4.198 40 70 FIIBRN COc1cc(CNC(=O)[C@@H](C)Sc2ccccc2)ccc1OC(C)C ZINC000218055389 522428271 /nfs/dbraw/zinc/42/82/71/522428271.db2.gz OZIKXCDYEGEBJY-OAHLLOKOSA-N 0 0 359.491 4.279 40 70 FIIBRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)/C=C/c1ccc(F)cc1 ZINC000217916062 523545825 /nfs/dbraw/zinc/54/58/25/523545825.db2.gz FKCXHJKPHZOXOD-DHZHZOJOSA-N 0 0 371.799 4.201 40 70 FIIBRN O=C1CS[C@@H](c2ccn(-c3cccc(F)c3)c2)N1Cc1ccccc1 ZINC000216674987 568134460 /nfs/dbraw/zinc/13/44/60/568134460.db2.gz MQOHFDMBERHYMX-FQEVSTJZSA-N 0 0 352.434 4.391 40 70 FIIBRN CCOc1ccc(-n2ccc([C@H]3OCCN3c3cccc(OC)c3)c2)cc1 ZINC000216724839 568136670 /nfs/dbraw/zinc/13/66/70/568136670.db2.gz NUGCLBAVRNNLMV-JOCHJYFZSA-N 0 0 364.445 4.420 40 70 FIIBRN COc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OC ZINC000217879114 568209065 /nfs/dbraw/zinc/20/90/65/568209065.db2.gz UHOLLOGGTODSOH-UHFFFAOYSA-N 0 0 361.397 4.187 40 70 FIIBRN CC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(C)c(C)c1 ZINC000218128995 568218136 /nfs/dbraw/zinc/21/81/36/568218136.db2.gz NVWNHDCNBJWYGJ-QGZVFWFLSA-N 0 0 357.450 4.210 40 70 FIIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1cccc(C)c1 ZINC000218688999 568246224 /nfs/dbraw/zinc/24/62/24/568246224.db2.gz HPNAZJWEMYKBGN-HNAYVOBHSA-N 0 0 369.461 4.190 40 70 FIIBRN COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)CC(C)(C)O2 ZINC000218688496 568246225 /nfs/dbraw/zinc/24/62/25/568246225.db2.gz DRSRVZLYXMVKBW-DNVCBOLYSA-N 0 0 369.461 4.190 40 70 FIIBRN CC[C@H](NC(=O)CCCOc1ccc(C)cc1)c1ccc(OC)c(OC)c1 ZINC000218732712 568248748 /nfs/dbraw/zinc/24/87/48/568248748.db2.gz UCNJZCGILRFBIM-IBGZPJMESA-N 0 0 371.477 4.439 40 70 FIIBRN CC(C)Oc1ccc(CCCNC(=O)CCCOc2ccccc2)cc1 ZINC000218725623 222686687 /nfs/dbraw/zinc/68/66/87/222686687.db2.gz GGPRDMNBQWRTEA-UHFFFAOYSA-N 0 0 355.478 4.382 40 70 FIIBRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1cc(C)cc(C)c1 ZINC000218694534 222686730 /nfs/dbraw/zinc/68/67/30/222686730.db2.gz IISIFPFCVKMQAO-LJQANCHMSA-N 0 0 353.462 4.409 40 70 FIIBRN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000218699351 222686945 /nfs/dbraw/zinc/68/69/45/222686945.db2.gz ZKTKHBBQMALXPJ-OAHLLOKOSA-N 0 0 363.388 4.463 40 70 FIIBRN CCOc1ccc(CNC(=O)CSCc2ccccc2)cc1OCC ZINC000218007617 520985570 /nfs/dbraw/zinc/98/55/70/520985570.db2.gz NOXLBCGXUXJXKY-UHFFFAOYSA-N 0 0 359.491 4.034 40 70 FIIBRN CCN(Cc1nc(-c2cccs2)no1)C(=O)/C=C/c1ccc(C)cc1 ZINC000218183253 521446486 /nfs/dbraw/zinc/44/64/86/521446486.db2.gz WSPHQAJNSUKVNE-ZHACJKMWSA-N 0 0 353.447 4.168 40 70 FIIBRN CCOC(=O)c1ccc(OC)c(OC(=O)c2cccc3ccccc32)c1 ZINC000216943196 521523489 /nfs/dbraw/zinc/52/34/89/521523489.db2.gz JEDVOMPYCRUPBN-UHFFFAOYSA-N 0 0 350.370 4.244 40 70 FIIBRN COc1ccc(/C=C/C(=O)N[C@@H](C)c2cc(C)ccc2C)c(OC)c1OC ZINC000218184961 523394872 /nfs/dbraw/zinc/39/48/72/523394872.db2.gz SJGAPZUCBARWKA-TYZQSYOASA-N 0 0 369.461 4.220 40 70 FIIBRN COc1ccc(CSCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000218109754 524123122 /nfs/dbraw/zinc/12/31/22/524123122.db2.gz SSZMYARNUPVHIS-UHFFFAOYSA-N 0 0 366.280 4.330 40 70 FIIBRN COc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccccc1)CC(C)(C)O2 ZINC000218010618 525574915 /nfs/dbraw/zinc/57/49/15/525574915.db2.gz IZNZRHBOWRAGGM-SFHVURJKSA-N 0 0 371.502 4.347 40 70 FIIBRN Cc1ccc(SCC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 ZINC000217979201 525643843 /nfs/dbraw/zinc/64/38/43/525643843.db2.gz GRAGUJPZSNZSHU-UHFFFAOYSA-N 0 0 367.474 4.104 40 70 FIIBRN Cc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(Cl)cc3)n2)cc1 ZINC000217962424 525877764 /nfs/dbraw/zinc/87/77/64/525877764.db2.gz YYMOXQLXYRCCMQ-KPKJPENVSA-N 0 0 367.836 4.370 40 70 FIIBRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCN(C)c1ccccc1 ZINC000217996529 525987338 /nfs/dbraw/zinc/98/73/38/525987338.db2.gz UYTCDWOUTLFQKX-OAHLLOKOSA-N 0 0 362.926 4.463 40 70 FIIBRN O=C(CSCc1ccc(Cl)cc1)NCCCc1ccc(F)cc1 ZINC000218041587 527022952 /nfs/dbraw/zinc/02/29/52/527022952.db2.gz IDXROTIHKNTIMG-UHFFFAOYSA-N 0 0 351.874 4.461 40 70 FIIBRN O=C(CSCc1cccc(Cl)c1)NCCCc1ccc(F)cc1 ZINC000218035059 527024747 /nfs/dbraw/zinc/02/47/47/527024747.db2.gz WSRFVPNGKOZXFD-UHFFFAOYSA-N 0 0 351.874 4.461 40 70 FIIBRN O=C(/C=C/c1ccc(Cl)cc1)NCc1nc(-c2ccccc2Cl)no1 ZINC000217961782 527607319 /nfs/dbraw/zinc/60/73/19/527607319.db2.gz ZUQSIGHVPDZJOM-JXMROGBWSA-N 0 0 374.227 4.373 40 70 FIIBRN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(OC2CCCC2)cc1 ZINC000217929055 568211359 /nfs/dbraw/zinc/21/13/59/568211359.db2.gz CECQFRVNJHPSQR-WUXMJOGZSA-N 0 0 351.402 4.389 40 70 FIIBRN COc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000218530161 568238247 /nfs/dbraw/zinc/23/82/47/568238247.db2.gz RFBGUJXZJWMVQP-KRWDZBQOSA-N 0 0 359.853 4.310 40 70 FIIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1ccc(C)cc1 ZINC000218535751 568238502 /nfs/dbraw/zinc/23/85/02/568238502.db2.gz LSUXOTUNDDPSGM-LJQANCHMSA-N 0 0 353.462 4.355 40 70 FIIBRN CCOc1ccc(CCCNC(=O)CCCOc2ccc(C)cc2)cc1 ZINC000218730722 568248583 /nfs/dbraw/zinc/24/85/83/568248583.db2.gz OZZYNSJXUNNLBV-UHFFFAOYSA-N 0 0 355.478 4.302 40 70 FIIBRN CC[C@@H](NC(=O)CSc1ccc(C)cc1)c1ccc(OC)c(OC)c1 ZINC000217978512 522691365 /nfs/dbraw/zinc/69/13/65/522691365.db2.gz PJCWEDQNBTUKDW-QGZVFWFLSA-N 0 0 359.491 4.372 40 70 FIIBRN COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(C)c(C)c2)c(OC)c1OC ZINC000218188600 523393156 /nfs/dbraw/zinc/39/31/56/523393156.db2.gz FOZFTMZEHZVTPE-TYZQSYOASA-N 0 0 369.461 4.220 40 70 FIIBRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1cccc(Cl)c1 ZINC000217854393 523547241 /nfs/dbraw/zinc/54/72/41/523547241.db2.gz MZAXXBIAQPHXEZ-UHFFFAOYSA-N 0 0 362.216 4.316 40 70 FIIBRN COc1ccc(CSCC(=O)NCCCc2ccccc2Cl)cc1 ZINC000218112638 524123999 /nfs/dbraw/zinc/12/39/99/524123999.db2.gz XLNXXNVJMBSDOL-UHFFFAOYSA-N 0 0 363.910 4.331 40 70 FIIBRN COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 ZINC000218137021 524970301 /nfs/dbraw/zinc/97/03/01/524970301.db2.gz HIBWKYNSUSWKET-JKSUJKDBSA-N 0 0 359.491 4.068 40 70 FIIBRN Cc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 ZINC000218182841 525946977 /nfs/dbraw/zinc/94/69/77/525946977.db2.gz BRYJUCMXNSBXCT-VAWYXSNFSA-N 0 0 367.836 4.370 40 70 FIIBRN Brc1ccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)cc1 ZINC000216746646 568137534 /nfs/dbraw/zinc/13/75/34/568137534.db2.gz LAGIEEBZVUUHAG-GOSISDBHSA-N 0 0 373.250 4.364 40 70 FIIBRN C[NH+]1CCC(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000216921451 568154447 /nfs/dbraw/zinc/15/44/47/568154447.db2.gz XXEAYYYFGXJXCM-UHFFFAOYSA-N 0 0 352.522 4.435 40 70 FIIBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000217930440 568211398 /nfs/dbraw/zinc/21/13/98/568211398.db2.gz RHDJFNNOPQZUPY-NADMHLTPSA-N 0 0 365.429 4.156 40 70 FIIBRN COc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1SC)CC(C)(C)O2 ZINC000218193099 568221139 /nfs/dbraw/zinc/22/11/39/568221139.db2.gz MFISVEATIQJADC-INIZCTEOSA-N 0 0 357.475 4.449 40 70 FIIBRN CCOc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 ZINC000218675805 568245532 /nfs/dbraw/zinc/24/55/32/568245532.db2.gz SPWXHOZLMZHFPT-HNNXBMFYSA-N 0 0 361.869 4.255 40 70 FIIBRN COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1)CC(C)(C)O2 ZINC000218688576 568246272 /nfs/dbraw/zinc/24/62/72/568246272.db2.gz DRSRVZLYXMVKBW-KXBFYZLASA-N 0 0 369.461 4.190 40 70 FIIBRN COc1ccc2c(c1)[C@@H](NC(=O)COc1cc(C)cc(C)c1)CC(C)(C)O2 ZINC000218694651 568246633 /nfs/dbraw/zinc/24/66/33/568246633.db2.gz PTEBCSSZQQJJKW-IBGZPJMESA-N 0 0 369.461 4.109 40 70 FIIBRN COc1cc(OC)cc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 ZINC000218175517 222678342 /nfs/dbraw/zinc/67/83/42/222678342.db2.gz VUZKMMHCZXSHCO-SFHVURJKSA-N 0 0 355.434 4.044 40 70 FIIBRN COc1cccc2cc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)oc21 ZINC000218615886 222685290 /nfs/dbraw/zinc/68/52/90/222685290.db2.gz LXDJNEADBVUQIB-HNNXBMFYSA-N 0 0 351.402 4.474 40 70 FIIBRN CC[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc(OC)c(OC)c1 ZINC000218689847 222686149 /nfs/dbraw/zinc/68/61/49/222686149.db2.gz DDNFBWIQJVDIFP-QAPCUYQASA-N 0 0 357.450 4.047 40 70 FIIBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cc(C)cc(C)c1 ZINC000218694458 222686776 /nfs/dbraw/zinc/68/67/76/222686776.db2.gz IISIFPFCVKMQAO-IBGZPJMESA-N 0 0 353.462 4.409 40 70 FIIBRN Cc1ccccc1OC[C@@H](C)NC(=O)CCCOc1ccc(Cl)cc1 ZINC000218736475 222688277 /nfs/dbraw/zinc/68/82/77/222688277.db2.gz FOXCVLBLBKMPAI-MRXNPFEDSA-N 0 0 361.869 4.391 40 70 FIIBRN C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCN1CCCc2ccccc21 ZINC000218683252 132273275 /nfs/dbraw/zinc/27/32/75/132273275.db2.gz RGRWNFMUHQCFNB-INIZCTEOSA-N 0 0 372.896 4.066 40 70 FIIBRN CCOc1ccc(CCCNC(=O)[C@H](C)SCc2ccccc2)cc1 ZINC000218068464 520947033 /nfs/dbraw/zinc/94/70/33/520947033.db2.gz NVICLYRRYMGNRW-KRWDZBQOSA-N 0 0 357.519 4.456 40 70 FIIBRN CC[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 ZINC000217832955 522689950 /nfs/dbraw/zinc/68/99/50/522689950.db2.gz VMBUKGWQIHIRJB-MRXNPFEDSA-N 0 0 363.841 4.004 40 70 FIIBRN COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(C)c(C)c2)c(OC)c1OC ZINC000218188669 523394100 /nfs/dbraw/zinc/39/41/00/523394100.db2.gz FOZFTMZEHZVTPE-YBHKSSGVSA-N 0 0 369.461 4.220 40 70 FIIBRN COc1ccc(CCCNC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000217835006 523935417 /nfs/dbraw/zinc/93/54/17/523935417.db2.gz LVGQAZDOABOELT-UHFFFAOYSA-N 0 0 368.260 4.130 40 70 FIIBRN COc1ccc(OC[C@H](C)NC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000217980768 524971037 /nfs/dbraw/zinc/97/10/37/524971037.db2.gz AMJZUXMBWJDDAI-ZDUSSCGKSA-N 0 0 365.882 4.024 40 70 FIIBRN Cc1ccc(OC[C@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1 ZINC000218036892 525437312 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COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)CC(C)(C)O2 ZINC000218702742 568246985 /nfs/dbraw/zinc/24/69/85/568246985.db2.gz OOUOUQYJRWFGGN-SCLBCKFNSA-N 0 0 373.424 4.020 40 70 FIIBRN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1C(=O)c1ccccc1 ZINC000217928694 222675569 /nfs/dbraw/zinc/67/55/69/222675569.db2.gz UPTOYXJDDJCEHT-ACCUITESSA-N 0 0 371.392 4.298 40 70 FIIBRN CN1C(=O)c2ccccc2N(C)[C@@H]1c1ccn(-c2ccccc2Cl)c1 ZINC000216712705 132271489 /nfs/dbraw/zinc/27/14/89/132271489.db2.gz HFSVTYJLCBSCLK-IBGZPJMESA-N 0 0 351.837 4.351 40 70 FIIBRN CCOc1ccc(CNC(=O)[C@@H](C)Sc2ccccc2)cc1OCC ZINC000218055239 520992265 /nfs/dbraw/zinc/99/22/65/520992265.db2.gz YTAWHTDDXKQNGR-OAHLLOKOSA-N 0 0 359.491 4.281 40 70 FIIBRN COc1ccc(CSCC(=O)Nc2cccc(Br)c2)cc1 ZINC000218109675 524123494 /nfs/dbraw/zinc/12/34/94/524123494.db2.gz ULGVGTBRJIDPJW-UHFFFAOYSA-N 0 0 366.280 4.330 40 70 FIIBRN Cc1cccc(CSCCNC(=O)c2ccccc2Br)c1 ZINC000218220006 524460365 /nfs/dbraw/zinc/46/03/65/524460365.db2.gz WKGORRNOCNBWDH-UHFFFAOYSA-N 0 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Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)CC(C)(C)O2 ZINC000218702070 568247033 /nfs/dbraw/zinc/24/70/33/568247033.db2.gz ZKAPDBZYNIXNAT-KBXCAEBGSA-N 0 0 357.425 4.320 40 70 FIIBRN Cc1cccc(O[C@@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)c1 ZINC000218685435 222686662 /nfs/dbraw/zinc/68/66/62/222686662.db2.gz NFYNXKPQPNOZIL-SFHVURJKSA-N 0 0 355.478 4.299 40 70 FIIBRN CN1C(=O)c2ccccc2N(C)[C@@H]1c1ccn(-c2cccc(Cl)c2)c1 ZINC000216712820 132271557 /nfs/dbraw/zinc/27/15/57/132271557.db2.gz UWPIWFUQDMUWEF-IBGZPJMESA-N 0 0 351.837 4.351 40 70 FIIBRN CCCOc1ccccc1CCCNC(=O)COc1ccc(Cl)cc1 ZINC000217831014 520473951 /nfs/dbraw/zinc/47/39/51/520473951.db2.gz FWSBJIBPOZTYEP-UHFFFAOYSA-N 0 0 361.869 4.257 40 70 FIIBRN CCN(Cc1nc(-c2cccs2)no1)C(=O)Cc1ccc(Cl)cc1 ZINC000218531934 521446615 /nfs/dbraw/zinc/44/66/15/521446615.db2.gz QQVNSJIYTCPTOY-UHFFFAOYSA-N 0 0 361.854 4.043 40 70 FIIBRN COc1cc(CNC(=O)/C=C/c2ccc(Cl)cc2)ccc1OC(C)C ZINC000217957651 522405957 /nfs/dbraw/zinc/40/59/57/522405957.db2.gz MLOCJCFJZNBNCL-YRNVUSSQSA-N 0 0 359.853 4.465 40 70 FIIBRN COc1cc(CNC(=O)[C@H](C)SCc2ccccc2)ccc1OC(C)C ZINC000218065229 522430246 /nfs/dbraw/zinc/43/02/46/522430246.db2.gz WIDIMGWAMNCALC-INIZCTEOSA-N 0 0 373.518 4.421 40 70 FIIBRN CN(CCCNC(=O)CSCc1cccc(Cl)c1)c1ccccc1 ZINC000218040854 522757889 /nfs/dbraw/zinc/75/78/89/522757889.db2.gz MRVLSLNSNIGDED-UHFFFAOYSA-N 0 0 362.926 4.216 40 70 FIIBRN CN(Cc1nc(-c2cccs2)no1)C(=O)/C=C/c1ccc(Cl)cc1 ZINC000217963088 523549810 /nfs/dbraw/zinc/54/98/10/523549810.db2.gz MAUWTWYMBIHLBB-RMKNXTFCSA-N 0 0 359.838 4.123 40 70 FIIBRN COc1ccc(CSCC(=O)NCCCc2ccc(Cl)cc2)cc1 ZINC000218112722 524124195 /nfs/dbraw/zinc/12/41/95/524124195.db2.gz XKYCALGBJQIQJX-UHFFFAOYSA-N 0 0 363.910 4.331 40 70 FIIBRN Cc1cccc(-c2noc(CNC(=O)/C=C/c3ccc(Cl)cc3)n2)c1 ZINC000217961489 524130919 /nfs/dbraw/zinc/13/09/19/524130919.db2.gz IYSHVVLKPDOGEN-JXMROGBWSA-N 0 0 353.809 4.028 40 70 FIIBRN Cc1ccc(S[C@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1 ZINC000218146016 525666385 /nfs/dbraw/zinc/66/63/85/525666385.db2.gz MFVAUDVFODGNJT-CYBMUJFWSA-N 0 0 373.503 4.246 40 70 FIIBRN Cc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000218182920 525948046 /nfs/dbraw/zinc/94/80/46/525948046.db2.gz JMUNAZWXTHMMGI-KPKJPENVSA-N 0 0 367.836 4.370 40 70 FIIBRN O=C(NCCSCc1ccco1)/C(=C/c1ccco1)c1ccccc1 ZINC000218099087 526373991 /nfs/dbraw/zinc/37/39/91/526373991.db2.gz LWSHWYRBCDQDFZ-XMHGGMMESA-N 0 0 353.443 4.463 40 70 FIIBRN CCc1ccc(-n2ccc([C@@H]3SCC(=O)N3Cc3ccco3)c2)cc1 ZINC000216677115 568134543 /nfs/dbraw/zinc/13/45/43/568134543.db2.gz VMOXTWXLLPNEJW-FQEVSTJZSA-N 0 0 352.459 4.407 40 70 FIIBRN COc1ccc(CN2CCO[C@H]2c2ccn(-c3ccc(F)cc3)c2)cc1 ZINC000216743521 568137357 /nfs/dbraw/zinc/13/73/57/568137357.db2.gz HGYMXFCBWACNRB-NRFANRHFSA-N 0 0 352.409 4.156 40 70 FIIBRN COc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3OC)c2)cc1 ZINC000216744032 568137421 /nfs/dbraw/zinc/13/74/21/568137421.db2.gz DEOSRNXELFKPND-JOCHJYFZSA-N 0 0 364.445 4.026 40 70 FIIBRN COc1ccc2c(c1)[C@@H](NC(=O)CSc1ccccc1)CC(C)(C)O2 ZINC000217973021 568213206 /nfs/dbraw/zinc/21/32/06/568213206.db2.gz DXCFRHMJRFWMSG-KRWDZBQOSA-N 0 0 357.475 4.206 40 70 FIIBRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN(C)c1ccccc1 ZINC000218672520 568245397 /nfs/dbraw/zinc/24/53/97/568245397.db2.gz QPTOXWAMOQUFFC-GOSISDBHSA-N 0 0 368.521 4.394 40 70 FIIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1cccc(C)c1 ZINC000218688925 568246241 /nfs/dbraw/zinc/24/62/41/568246241.db2.gz HPNAZJWEMYKBGN-KXBFYZLASA-N 0 0 369.461 4.190 40 70 FIIBRN CCCOc1ccccc1CCCNC(=O)COc1cc(C)cc(C)c1 ZINC000218693504 568246597 /nfs/dbraw/zinc/24/65/97/568246597.db2.gz BPRWXAKSZNLVMG-UHFFFAOYSA-N 0 0 355.478 4.220 40 70 FIIBRN Cc1cc(O[C@H](C)C(=O)NCCCN(C)c2ccccc2)cc(C)c1Cl ZINC000218719252 568247986 /nfs/dbraw/zinc/24/79/86/568247986.db2.gz NTKQLAWWVICZPR-QGZVFWFLSA-N 0 0 374.912 4.367 40 70 FIIBRN Cc1ccc(OCC(=O)NCCCc2cccc(OC(C)C)c2)cc1C ZINC000218720659 568248110 /nfs/dbraw/zinc/24/81/10/568248110.db2.gz QURMJDAQTPMHOC-UHFFFAOYSA-N 0 0 355.478 4.218 40 70 FIIBRN CC[C@@H](NC(=O)CCCOc1ccc(C)cc1)c1ccc(OC)c(OC)c1 ZINC000218732663 568248711 /nfs/dbraw/zinc/24/87/11/568248711.db2.gz UCNJZCGILRFBIM-LJQANCHMSA-N 0 0 371.477 4.439 40 70 FIIBRN COC(=O)c1c(C)n(C(=O)COc2cc(C)cc(C)c2)c2ccccc21 ZINC000218739133 568249144 /nfs/dbraw/zinc/24/91/44/568249144.db2.gz TWIUIVXBTXRZHW-UHFFFAOYSA-N 0 0 351.402 4.072 40 70 FIIBRN CCOc1ccc(CCCNC(=O)CCCOc2ccc(OC)cc2)cc1 ZINC000218740685 568249259 /nfs/dbraw/zinc/24/92/59/568249259.db2.gz DDEPBUMKKWHEEX-UHFFFAOYSA-N 0 0 371.477 4.002 40 70 FIIBRN