smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000006879711 539439969 /nfs/dbraw/zinc/43/99/69/539439969.db2.gz XAACCIXWGWLYDZ-UHFFFAOYSA-N 0 0 362.451 2.070 40 0 FEABRN COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1 ZINC000008092294 539477095 /nfs/dbraw/zinc/47/70/95/539477095.db2.gz CWDAEMXHWQGADC-GXDHUFHOSA-N 0 0 374.418 2.132 40 0 FEABRN Cc1nnc(NC(=O)CCC(=O)OCC(=O)c2ccc(F)cc2)s1 ZINC000008474343 539486674 /nfs/dbraw/zinc/48/66/74/539486674.db2.gz KIHJUGALRHEITD-UHFFFAOYSA-N 0 0 351.359 2.130 40 0 FEABRN O=C(COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)Nc1ccc(F)cc1 ZINC000008433773 539487070 /nfs/dbraw/zinc/48/70/70/539487070.db2.gz LILXXHZEGZPSKG-ZDUSSCGKSA-N 0 0 362.401 2.489 40 0 FEABRN COCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 ZINC000008810795 539492989 /nfs/dbraw/zinc/49/29/89/539492989.db2.gz VLVHPVYXIBRMJJ-UHFFFAOYSA-N 0 0 370.377 2.142 40 0 FEABRN O=C(Nc1ccccc1)[C@H]1[C@H]2C(=O)N(Cc3ccncc3)C[C@@]23C=C[C@@H]1O3 ZINC000009419004 539502396 /nfs/dbraw/zinc/50/23/96/539502396.db2.gz ZIBLVJPAVSRSNK-NYUBLWNDSA-N 0 0 361.401 2.002 40 0 FEABRN O=C(Cc1ccsc1)N1CCC[C@]2(C1)CNC(=O)c1ccccc1O2 ZINC000012086747 539542699 /nfs/dbraw/zinc/54/26/99/539542699.db2.gz HMMOFUNAJUGGGH-LJQANCHMSA-N 0 0 356.447 2.474 40 0 FEABRN O=C(N1CCOCC1)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 ZINC000012088529 539542796 /nfs/dbraw/zinc/54/27/96/539542796.db2.gz BUNQTTDDUXGJOU-INIZCTEOSA-N 0 0 353.426 2.170 40 0 FEABRN COc1ccc(-c2cc3nc([C@H](C)NC(=O)[C@@H]4CCOC4)nn3cn2)cc1 ZINC000012085177 539543034 /nfs/dbraw/zinc/54/30/34/539543034.db2.gz HXFPAVIQQVTYRS-GXTWGEPZSA-N 0 0 367.409 2.014 40 0 FEABRN O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012116085 539544076 /nfs/dbraw/zinc/54/40/76/539544076.db2.gz YPXSXNYAIJNOAU-GOSISDBHSA-N 0 0 373.420 2.445 40 0 FEABRN Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)c3nccc4ccccc43)C[C@H]21 ZINC000012120042 539545220 /nfs/dbraw/zinc/54/52/20/539545220.db2.gz JSQGTDNBVLFUEQ-PBHICJAKSA-N 0 0 360.417 2.429 40 0 FEABRN Cc1ccc(-c2nc3c([nH]c(=O)n3CCc3ccccc3)c(C(N)=O)n2)o1 ZINC000012145945 539547080 /nfs/dbraw/zinc/54/70/80/539547080.db2.gz GEIXBUCGAOCHAE-UHFFFAOYSA-N 0 0 363.377 2.030 40 0 FEABRN C[C@H]1C[C@H](C)CN(C(=O)CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)C1 ZINC000012146282 539546642 /nfs/dbraw/zinc/54/66/42/539546642.db2.gz WEFVFOWXMRGFKE-RLFYNMQTSA-N 0 0 369.465 2.142 40 0 FEABRN CC[C@@H]1CCCCN1C(=O)Cn1nc(-c2cc(C)oc2C)cc(N)c1=O ZINC000012183717 539548172 /nfs/dbraw/zinc/54/81/72/539548172.db2.gz LUVXQHNPQNWVIV-CQSZACIVSA-N 0 0 358.442 2.493 40 0 FEABRN CC(=O)N1CCN(c2nc(C)nc3c2CN(Cc2ccccc2)CC3)CC1 ZINC000012183245 539548353 /nfs/dbraw/zinc/54/83/53/539548353.db2.gz BSPJHKMUMITCSI-UHFFFAOYSA-N 0 0 365.481 2.012 40 0 FEABRN Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3ccncc3)CC1)O2 ZINC000012225570 539550256 /nfs/dbraw/zinc/55/02/56/539550256.db2.gz ORABZMAWOPLSRV-UHFFFAOYSA-N 0 0 351.406 2.187 40 0 FEABRN Cn1nc([C@H]2CCCN(C(=O)COc3ccccc3F)C2)c2nccnc21 ZINC000012365140 539556259 /nfs/dbraw/zinc/55/62/59/539556259.db2.gz BWDAGQOIEXROJZ-ZDUSSCGKSA-N 0 0 369.400 2.287 40 0 FEABRN CCn1ncc(S(=O)(=O)N2CCCCC[C@H]2c2cnn(C)c2)c1C ZINC000012365965 539556629 /nfs/dbraw/zinc/55/66/29/539556629.db2.gz NIGCILFNNOAQJI-HNNXBMFYSA-N 0 0 351.476 2.251 40 0 FEABRN O=C(COc1cccc(F)c1)N1CCC[C@H](c2[nH]nc3nccnc32)C1 ZINC000012365076 539556632 /nfs/dbraw/zinc/55/66/32/539556632.db2.gz QYFVQDHMKLFZOO-LBPRGKRZSA-N 0 0 355.373 2.277 40 0 FEABRN CCS(=O)(=O)N1C[C@@H](C(=O)NCc2ccccc2C)Oc2ccccc21 ZINC000013681885 539590511 /nfs/dbraw/zinc/59/05/11/539590511.db2.gz QAKMONXQVASOCG-SFHVURJKSA-N 0 0 374.462 2.229 40 0 FEABRN COc1cc2[nH]c(=NN)n(-c3ccc(Cl)c(F)c3)c(=O)c2cc1OC ZINC000015424608 539617930 /nfs/dbraw/zinc/61/79/30/539617930.db2.gz OTAAZUUXVGGEKU-UHFFFAOYSA-N 0 0 364.764 2.481 40 0 FEABRN CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000016575413 539633376 /nfs/dbraw/zinc/63/33/76/539633376.db2.gz HQEWDYULYPMSDL-AWEZNQCLSA-N 0 0 354.472 2.153 40 0 FEABRN Cc1ccccc1C1=NO[C@H](CC2(C(=O)NC[C@H](C)O)CCOCC2)C1 ZINC000019236958 539653376 /nfs/dbraw/zinc/65/33/76/539653376.db2.gz PLORORJDYQVXAH-HOTGVXAUSA-N 0 0 360.454 2.172 40 0 FEABRN Cc1cnc(-c2nnc([C@@H]3CCN(S(=O)(=O)c4ccccc4)C3)o2)cn1 ZINC000019239208 539653418 /nfs/dbraw/zinc/65/34/18/539653418.db2.gz WTPWCMFOACHYLL-CYBMUJFWSA-N 0 0 371.422 2.013 40 0 FEABRN CC(=O)NCCn1nc([C@@H]2CCN(C(=O)C3CCCC3)C2)c2cccnc21 ZINC000019021639 539650569 /nfs/dbraw/zinc/65/05/69/539650569.db2.gz HPNGXDNJGWKZAS-MRXNPFEDSA-N 0 0 369.469 2.074 40 0 FEABRN CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)c3ccccc3)ncc2C1 ZINC000019018577 539650861 /nfs/dbraw/zinc/65/08/61/539650861.db2.gz BADXVNWDEMJRRS-SFHVURJKSA-N 0 0 350.422 2.359 40 0 FEABRN O=C(CCc1ccccc1)N1CCC[C@H]1Cn1nnc(-c2ccncc2)n1 ZINC000019370818 539656137 /nfs/dbraw/zinc/65/61/37/539656137.db2.gz UXTMHCKXZPOAAF-SFHVURJKSA-N 0 0 362.437 2.359 40 0 FEABRN O=C(CCCN1C(=O)CNC1=O)NCC1(c2ccccc2F)CCCC1 ZINC000019347931 539656390 /nfs/dbraw/zinc/65/63/90/539656390.db2.gz BXBIYDCDCRIBIP-UHFFFAOYSA-N 0 0 361.417 2.086 40 0 FEABRN C[C@@H](CC(=O)N1CCc2nc([C@@H]3CCCCN3C)ncc2C1)n1cccn1 ZINC000019455369 539657592 /nfs/dbraw/zinc/65/75/92/539657592.db2.gz MVTKYVNRLAWGNE-YJBOKZPZSA-N 0 0 368.485 2.366 40 0 FEABRN C[C@@H]1CN(CC(=O)Nc2nnc(Cc3cccc(F)c3)s2)C[C@H](C)O1 ZINC000019497487 539657972 /nfs/dbraw/zinc/65/79/72/539657972.db2.gz MRLZZNRWWRLQTO-TXEJJXNPSA-N 0 0 364.446 2.316 40 0 FEABRN Cc1cccnc1[C@H](Cc1ccsc1)NC(=O)Cn1cccnc1=O ZINC000019237623 539653997 /nfs/dbraw/zinc/65/39/97/539653997.db2.gz AHPPFQZHCMTNRN-HNNXBMFYSA-N 0 0 354.435 2.108 40 0 FEABRN COc1ccc(OC)c(NC(=O)CN2CCC(O)(c3cccnc3)CC2)c1 ZINC000019551807 539659346 /nfs/dbraw/zinc/65/93/46/539659346.db2.gz RJTRSQOYXQWYGU-UHFFFAOYSA-N 0 0 371.437 2.021 40 0 FEABRN CCn1c(CNS(=O)(=O)c2cnn(C(F)F)c2C)nc2ccccc21 ZINC000019524378 539659639 /nfs/dbraw/zinc/65/96/39/539659639.db2.gz OVNOTZOEAZWFAO-UHFFFAOYSA-N 0 0 369.397 2.435 40 0 FEABRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(OC)nc(OC)n2)c1 ZINC000019551297 539659685 /nfs/dbraw/zinc/65/96/85/539659685.db2.gz LEGUPHVFBXXODJ-HNNXBMFYSA-N 0 0 373.409 2.488 40 0 FEABRN Cc1c(C(=O)N2CC[C@H](c3nc(-c4ccsc4)cc(=O)[nH]3)C2)cnn1C ZINC000019553172 539659808 /nfs/dbraw/zinc/65/98/08/539659808.db2.gz KMMFFSWVRWAOOG-LBPRGKRZSA-N 0 0 369.450 2.170 40 0 FEABRN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(OC)nc(OC)n2)c1 ZINC000019551299 539659945 /nfs/dbraw/zinc/65/99/45/539659945.db2.gz LEGUPHVFBXXODJ-OAHLLOKOSA-N 0 0 373.409 2.488 40 0 FEABRN CCn1ccc(C(=O)N2CCC(c3cc4cccnc4c(=O)[nH]3)CC2)n1 ZINC000019525139 539660043 /nfs/dbraw/zinc/66/00/43/539660043.db2.gz JARUIFZPBBBPHP-UHFFFAOYSA-N 0 0 351.410 2.159 40 0 FEABRN Cc1nccn1CC1(O)CCN(C(=O)c2oc3c(c2C)C(=O)CCC3)CC1 ZINC000019565226 539660904 /nfs/dbraw/zinc/66/09/04/539660904.db2.gz ISBVBIZCUUOWGZ-UHFFFAOYSA-N 0 0 371.437 2.279 40 0 FEABRN Cc1cc(C)n(C[C@H](O)CN(Cc2ccco2)Cc2cn(C)nc2C)n1 ZINC000019573785 539662098 /nfs/dbraw/zinc/66/20/98/539662098.db2.gz QYXGNYIWARSJNR-GOSISDBHSA-N 0 0 357.458 2.198 40 0 FEABRN Cc1nn(C)c(C)c1[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000019577638 539662428 /nfs/dbraw/zinc/66/24/28/539662428.db2.gz ZMIBZYFBZYLWTR-RISCZKNCSA-N 0 0 358.417 2.406 40 0 FEABRN Cc1onc(C(C)C)c1C(=O)N1CCc2nnc([C@H]3CCCN3C)n2CC1 ZINC000019706325 539666251 /nfs/dbraw/zinc/66/62/51/539666251.db2.gz OTXYBRPEOHJDFC-CQSZACIVSA-N 0 0 372.473 2.163 40 0 FEABRN Cc1nc2cc(NC(=O)CN3CCNC(=O)C3)ccc2n1C1CCCCC1 ZINC000019660432 539664685 /nfs/dbraw/zinc/66/46/85/539664685.db2.gz KEBXRITXPJWUGN-UHFFFAOYSA-N 0 0 369.469 2.220 40 0 FEABRN COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)CCc2nc(C)no2)cc1 ZINC000019665213 539665313 /nfs/dbraw/zinc/66/53/13/539665313.db2.gz GOBJHAJBFSJGLZ-IBGZPJMESA-N 0 0 367.409 2.217 40 0 FEABRN CC(C)c1ncc(CN2CCN(C)C(=O)[C@@H](Cc3ccccn3)C2)cn1 ZINC000019696856 539665623 /nfs/dbraw/zinc/66/56/23/539665623.db2.gz NJSJKAGURUUIMV-KRWDZBQOSA-N 0 0 353.470 2.128 40 0 FEABRN COc1ccc(CC(=O)N2CC[C@@H](c3ccc4c(N)ncnc4n3)C2)cc1 ZINC000019704888 539666070 /nfs/dbraw/zinc/66/60/70/539666070.db2.gz XDHASNWRAGINNJ-CQSZACIVSA-N 0 0 363.421 2.174 40 0 FEABRN Cc1cccn2c(=O)c(C(=O)NCCCOc3ccccc3F)cnc12 ZINC000019714716 539667354 /nfs/dbraw/zinc/66/73/54/539667354.db2.gz FKWVFYZJYZCWKB-UHFFFAOYSA-N 0 0 355.369 2.341 40 0 FEABRN O=C(NCC[C@H]1C[C@H](S(=O)(=O)c2ccccc2)CCO1)c1cccnc1 ZINC000019711946 539667444 /nfs/dbraw/zinc/66/74/44/539667444.db2.gz KACLPIGTWQRLPV-FUHWJXTLSA-N 0 0 374.462 2.223 40 0 FEABRN COc1ccc(C(=O)Nc2cnn(CC(=O)Nc3ccc(F)cc3)c2)cn1 ZINC000019746093 539668152 /nfs/dbraw/zinc/66/81/52/539668152.db2.gz ATYPZKZXPVVBLR-UHFFFAOYSA-N 0 0 369.356 2.317 40 0 FEABRN CCc1nccn1[C@@H](C)C(=O)N1CC(C(=O)Nc2cccc(OC)c2)C1 ZINC000019747669 539668207 /nfs/dbraw/zinc/66/82/07/539668207.db2.gz COMFQYHSKWRHAC-ZDUSSCGKSA-N 0 0 356.426 2.112 40 0 FEABRN O=C(CCN1CCc2ccccc21)N1CC[C@@H](C(=O)NC2CCCC2)C1 ZINC000019747723 539668491 /nfs/dbraw/zinc/66/84/91/539668491.db2.gz VULCXIAWALVXLI-QGZVFWFLSA-N 0 0 355.482 2.347 40 0 FEABRN COc1ccc(C(=O)Nc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000020799815 539677476 /nfs/dbraw/zinc/67/74/76/539677476.db2.gz UZNLRPWJZNTRMO-UHFFFAOYSA-N 0 0 361.361 2.370 40 0 FEABRN CC(=O)Nc1ccc(C(=O)N2CCC(Cc3cc(N)nc(C)n3)CC2)cc1 ZINC000019758374 539669131 /nfs/dbraw/zinc/66/91/31/539669131.db2.gz XKCISLFWCPGPJD-UHFFFAOYSA-N 0 0 367.453 2.421 40 0 FEABRN CCCCOC(=O)c1ccc(-n2ccc3c(cnc4ncnn43)c2=O)cc1 ZINC000019958824 539671891 /nfs/dbraw/zinc/67/18/91/539671891.db2.gz UZBANOIHAZCMFV-UHFFFAOYSA-N 0 0 363.377 2.385 40 0 FEABRN C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 ZINC000020493459 539674853 /nfs/dbraw/zinc/67/48/53/539674853.db2.gz WZXDPBVLTSJQTI-SCLBCKFNSA-N 0 0 372.446 2.191 40 0 FEABRN Cc1ccc(CN(C)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000024051227 539724783 /nfs/dbraw/zinc/72/47/83/539724783.db2.gz XKPGIRMZQOAFOR-UHFFFAOYSA-N 0 0 353.465 2.219 40 0 FEABRN COc1cccc(OCCNS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000026836531 539794930 /nfs/dbraw/zinc/79/49/30/539794930.db2.gz PLMXFPGQAWEPFL-UHFFFAOYSA-N 0 0 364.423 2.011 40 0 FEABRN COc1ccc(OCCNS(=O)(=O)c2ccc(OC)c(F)c2)cc1 ZINC000030437983 539881566 /nfs/dbraw/zinc/88/15/66/539881566.db2.gz DISIZOPGWZBQCQ-UHFFFAOYSA-N 0 0 355.387 2.200 40 0 FEABRN CC1(C)CC(=O)C([C@H](c2ccc3c(c2)OCO3)N2CCOCC2)C(=O)C1 ZINC000031772135 539918759 /nfs/dbraw/zinc/91/87/59/539918759.db2.gz UAOPEVVASXATSF-IBGZPJMESA-N 0 0 359.422 2.363 40 0 FEABRN COC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(C)c(C)c2)C1=O ZINC000033782883 539975480 /nfs/dbraw/zinc/97/54/80/539975480.db2.gz ZYHPRSIQYLINQT-MHWRWJLKSA-N 0 0 353.378 2.160 40 0 FEABRN O=C(Nc1nnc(-c2cccnc2)s1)C1CCN(c2ncccn2)CC1 ZINC000035291201 539979781 /nfs/dbraw/zinc/97/97/81/539979781.db2.gz HLJKNOLXYXINJK-UHFFFAOYSA-N 0 0 367.438 2.245 40 0 FEABRN Cc1cc(N2CCC(C(=O)NCc3ccccc3F)CC2)n2ncnc2n1 ZINC000035310956 539979938 /nfs/dbraw/zinc/97/99/38/539979938.db2.gz ZZAWCJXHXPPMRP-UHFFFAOYSA-N 0 0 368.416 2.105 40 0 FEABRN CCOc1ccc(NC(=O)C[C@H]2N=C(N3C[C@@H](C)C[C@H](C)C3)NC2=O)cc1 ZINC000035379652 539981513 /nfs/dbraw/zinc/98/15/13/539981513.db2.gz BIYLAXXTVMHDRX-GRDNDAEWSA-N 0 0 372.469 2.246 40 0 FEABRN COc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000046469596 540258711 /nfs/dbraw/zinc/25/87/11/540258711.db2.gz HHJHSEFFNCEKPL-LLVKDONJSA-N 0 0 352.387 2.140 40 0 FEABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCC2)cc1Cl ZINC000047080945 540288563 /nfs/dbraw/zinc/28/85/63/540288563.db2.gz FMXMYJPRFYTZKK-JTQLQIEISA-N 0 0 360.863 2.074 40 0 FEABRN O=C(NCCc1ccc(Cl)s1)N1CCN(c2ncccn2)CC1 ZINC000047144228 540292866 /nfs/dbraw/zinc/29/28/66/540292866.db2.gz PXLTZZBMGYGLJI-UHFFFAOYSA-N 0 0 351.863 2.266 40 0 FEABRN CC(=O)N1CCC(N2CCOC[C@H]2c2nc(-c3ccccc3)c[nH]2)CC1 ZINC000067898613 541526560 /nfs/dbraw/zinc/52/65/60/541526560.db2.gz LUBKSPQCBSBRLB-IBGZPJMESA-N 0 0 354.454 2.461 40 0 biogenic,in-vitro FEABRN CC[C@H](c1ccc(F)cc1)n1cc(C(=O)NCCCn2ccnc2)nn1 ZINC000072341636 541800476 /nfs/dbraw/zinc/80/04/76/541800476.db2.gz ZAJCHZFDVVXDFK-QGZVFWFLSA-N 0 0 356.405 2.433 40 0 FEABRN 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/nfs/dbraw/zinc/03/70/13/204037013.db2.gz AOUQQKUEQYCBGY-KRWDZBQOSA-N 0 0 368.389 2.244 40 0 FEABRN CC1(C)O[C@H]2[C@H](O1)O[C@@H](C(=O)Nc1ccc(F)cc1)[C@@H]1OC(C)(C)O[C@H]21 ZINC000004487860 204140642 /nfs/dbraw/zinc/14/06/42/204140642.db2.gz CYQBIBRVAZRZGH-SGPHBRAGSA-N 0 0 367.373 2.161 40 0 FEABRN O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000005649963 204219231 /nfs/dbraw/zinc/21/92/31/204219231.db2.gz OOFARBRHWMUVAB-NBMJBFSESA-N 0 0 354.450 2.290 40 0 FEABRN CCN(CC(=O)Nc1cccc(OC)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000007217035 204291354 /nfs/dbraw/zinc/29/13/54/204291354.db2.gz PYXMQFGEWOCGTR-UHFFFAOYSA-N 0 0 366.414 2.484 40 0 FEABRN O=C(c1ccccc1)N1C[C@@H]2[C@H](C1)OCC(=O)N2Cc1ccc(F)cc1 ZINC000067897540 204383185 /nfs/dbraw/zinc/38/31/85/204383185.db2.gz ULRRAAGVJUFWBF-MSOLQXFVSA-N 0 0 354.381 2.078 40 0 biogenic,in-vitro FEABRN Cc1nn(CC(=O)N(C)CCCc2ccco2)c(=O)c2cc3occc3n21 ZINC000012115436 204431859 /nfs/dbraw/zinc/43/18/59/204431859.db2.gz 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ZINC000257296680 223055520 /nfs/dbraw/zinc/05/55/20/223055520.db2.gz RDWUIVVZQSPOLT-HNNXBMFYSA-N 0 0 366.425 2.036 40 0 FEABRN CCc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1 ZINC000001247974 209487078 /nfs/dbraw/zinc/48/70/78/209487078.db2.gz LGOZLFHOISXMTO-RVDMUPIBSA-N 0 0 360.435 2.144 40 0 FEABRN O=C(CN(Cc1ccc(F)cc1)C(=O)c1csnn1)NC1CCCC1 ZINC000001378429 209389659 /nfs/dbraw/zinc/38/96/59/209389659.db2.gz MOMXHZDSWQLVMN-UHFFFAOYSA-N 0 0 362.430 2.378 40 0 FEABRN COc1cccc(NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)c1 ZINC000000824215 209376763 /nfs/dbraw/zinc/37/67/63/209376763.db2.gz IAJYUWOBVHGKND-UHFFFAOYSA-N 0 0 364.423 2.109 40 0 FEABRN COc1ccc(N(CCCC(=O)NC2CCCC2)S(C)(=O)=O)cc1 ZINC000113966742 209341053 /nfs/dbraw/zinc/34/10/53/209341053.db2.gz SZCBWGYJJIABMV-UHFFFAOYSA-N 0 0 354.472 2.300 40 0 FEABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000059291052 540864526 /nfs/dbraw/zinc/86/45/26/540864526.db2.gz WMNZULIKZWZYFI-AWEZNQCLSA-N 0 0 355.460 2.018 40 0 FEABRN O=C(Cc1cccs1)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 ZINC000108535854 209290376 /nfs/dbraw/zinc/29/03/76/209290376.db2.gz SAFFYXUZIXZJCM-ROUUACIJSA-N 0 0 357.479 2.188 40 0 FEABRN Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 ZINC000108532740 209289248 /nfs/dbraw/zinc/28/92/48/209289248.db2.gz CGBDNIQCBWVXOQ-HNNXBMFYSA-N 0 0 371.441 2.347 40 0 FEABRN Cn1cc(C(=O)NC2CC3(C2)CCN(Cc2cncc(Cl)c2)C3)cn1 ZINC000108525087 209288552 /nfs/dbraw/zinc/28/85/52/209288552.db2.gz ONSFVYBMZPHDMV-UHFFFAOYSA-N 0 0 359.861 2.253 40 0 FEABRN Cn1c2ccccc2s/c1=N/C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000103040142 209246023 /nfs/dbraw/zinc/24/60/23/209246023.db2.gz NMBSDHKDKSCQEL-VHEBQXMUSA-N 0 0 350.403 2.228 40 0 FEABRN CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)Cn2cccn2)c2ccccn2)CC1 ZINC000100750370 209217771 /nfs/dbraw/zinc/21/77/71/209217771.db2.gz XENFLZCJLHJRLK-FUHIMQAGSA-N 0 0 369.469 2.078 40 0 FEABRN COc1ccc(N2C(=O)C[C@@H](Nc3ccccc3OC)C2=O)c(OC)c1 ZINC000101276079 209223161 /nfs/dbraw/zinc/22/31/61/209223161.db2.gz ODRHLRPBBSMUET-CQSZACIVSA-N 0 0 356.378 2.456 40 0 FEABRN O=C(Nc1cccc(C(=O)N2CCOCC2)c1)[C@@H]1OCOc2ccccc21 ZINC000012203493 219967666 /nfs/dbraw/zinc/96/76/66/219967666.db2.gz ZJAQRNSVSRPVCV-GOSISDBHSA-N 0 0 368.389 2.205 40 0 FEABRN CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2nccn2C)CC1 ZINC000100750172 209217070 /nfs/dbraw/zinc/21/70/70/209217070.db2.gz XXJVTMAPYKBRIR-JZXOWHBKSA-N 0 0 369.469 2.229 40 0 FEABRN COc1cccc([C@@]2(Cc3ccc(Br)cc3)NC(N)=NC2=O)c1 ZINC000071975352 541777961 /nfs/dbraw/zinc/77/79/61/541777961.db2.gz NIZBSRVLDLICLX-QGZVFWFLSA-N 0 0 374.238 2.340 40 0 FEABRN C[NH+]1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(Cl)cc1Cl ZINC000071979968 541778012 /nfs/dbraw/zinc/77/80/12/541778012.db2.gz LUAYVXMZEIYDFX-ZDUSSCGKSA-N 0 0 373.236 2.341 40 0 FEABRN Cc1nc(C)c(C(=O)N2[C@@H]3CC[C@H]2Cc2nc4ccccc4c(=O)n2C3)o1 ZINC000072327411 541799849 /nfs/dbraw/zinc/79/98/49/541799849.db2.gz HMUJNPGRFCLLOC-UONOGXRCSA-N 0 0 364.405 2.231 40 0 FEABRN CN(C)C(=O)CN1CCCC[C@H]1c1nc(N)ncc1-c1cccc(F)c1 ZINC000072377012 541803530 /nfs/dbraw/zinc/80/35/30/541803530.db2.gz QODPDDLWRNWLOA-INIZCTEOSA-N 0 0 357.433 2.480 40 0 FEABRN CS(=O)(=O)[C@@](Cl)(I)C(=O)c1ccccc1 ZINC000096518221 209154192 /nfs/dbraw/zinc/15/41/92/209154192.db2.gz LOGKJFJAMNHPAZ-VIFPVBQESA-N 0 0 358.584 2.242 40 0 FEABRN COc1cccc(CN2C[C@H]3C[C@H](C(=O)Nc4cccnc4)[C@@H](C2)O3)c1 ZINC000096253360 209144780 /nfs/dbraw/zinc/14/47/80/209144780.db2.gz NKEOJUGEQONHJM-CEXWTWQISA-N 0 0 353.422 2.318 40 0 FEABRN CCc1cnc(N2C[C@@H]3C(=O)N(Cc4ccc(OC)cc4)C[C@@H]3C2)nc1 ZINC000096245341 209143938 /nfs/dbraw/zinc/14/39/38/209143938.db2.gz PJZFTNJBXXSPMG-AEFFLSMTSA-N 0 0 352.438 2.142 40 0 FEABRN Cn1cccc1C(=O)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC000096224466 209139623 /nfs/dbraw/zinc/13/96/23/209139623.db2.gz VJEAHFMEWMEFCZ-FQEVSTJZSA-N 0 0 352.438 2.075 40 0 FEABRN Cc1nc(C(=O)N2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)cs1 ZINC000096209025 209135864 /nfs/dbraw/zinc/13/58/64/209135864.db2.gz 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Cc1ccc(C(=O)N2CC[C@]3(CCN(Cc4ccccn4)C3=O)C2)cn1 ZINC000096063220 209107329 /nfs/dbraw/zinc/10/73/29/209107329.db2.gz FJCACTILOXXETD-HXUWFJFHSA-N 0 0 350.422 2.050 40 0 FEABRN O=C(NCCCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000073743376 541994844 /nfs/dbraw/zinc/99/48/44/541994844.db2.gz UHZYWFAMNALMQQ-UHFFFAOYSA-N 0 0 365.433 2.266 40 0 FEABRN CN(C)C(=O)N1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccc(F)cc1 ZINC000306139077 206670519 /nfs/dbraw/zinc/67/05/19/206670519.db2.gz SOVPSHOFSGAZEP-DLBZAZTESA-N 0 0 356.401 2.190 40 0 FEABRN O=C(/C=C/c1cccs1)N1CC2(C1)C[C@@H](Oc1cnccn1)CCO2 ZINC000306138039 206670716 /nfs/dbraw/zinc/67/07/16/206670716.db2.gz RNIJHRALYODERY-XGACYXMMSA-N 0 0 357.435 2.390 40 0 FEABRN Cc1nc(COC[C@@H]2CCOC23CN(C(=O)N2CCCC2)C3)cs1 ZINC000306140593 206671446 /nfs/dbraw/zinc/67/14/46/206671446.db2.gz UYKOWTQKIVWKDP-AWEZNQCLSA-N 0 0 351.472 2.275 40 0 FEABRN COC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(=O)c1ccco1 ZINC000096068245 209106309 /nfs/dbraw/zinc/10/63/09/209106309.db2.gz BOHSTVGHSNZXDL-INIZCTEOSA-N 0 0 359.426 2.289 40 0 FEABRN C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCC[C@H]1C(N)=O ZINC000253399504 206789540 /nfs/dbraw/zinc/78/95/40/206789540.db2.gz JONKFVJKJNMMEM-CABZTGNLSA-N 0 0 363.801 2.138 40 0 biogenic,in-vitro FEABRN CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]2[C@@H]1N2C(=S)SC ZINC000004743683 207044835 /nfs/dbraw/zinc/04/48/35/207044835.db2.gz SMMQRRVKRYCIDI-LMYYQBSISA-N 0 0 353.465 2.173 40 0 FEABRN OC[C@@H](O)[C@H](O)[C@H](O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004962304 207067024 /nfs/dbraw/zinc/06/70/24/207067024.db2.gz OORRNQJYAWSLHU-HYVNUMGLSA-N 0 0 357.233 2.200 40 0 FEABRN O=C([O-])c1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCC(=O)N3c2ccccc2)cc1 ZINC000067897044 207261382 /nfs/dbraw/zinc/26/13/82/207261382.db2.gz STOCTGHJKNBBDL-MSOLQXFVSA-N 0 0 352.390 2.001 40 0 biogenic,in-vitro FEABRN CCCNS(=O)(=O)c1cc(C(=O)N2CCCC2)ccc1N1CCCC1 ZINC000010009911 207292587 /nfs/dbraw/zinc/29/25/87/207292587.db2.gz AHOIMSLEDJBLQR-UHFFFAOYSA-N 0 0 365.499 2.211 40 0 FEABRN CNC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000010692968 207305062 /nfs/dbraw/zinc/30/50/62/207305062.db2.gz RQHIEVQLHAZRQU-UHFFFAOYSA-N 0 0 365.282 2.281 40 0 FEABRN O=C(CN1CCC2(CC1)NC(=O)c1ccccc1O2)NC1CCCCC1 ZINC000012183446 207344750 /nfs/dbraw/zinc/34/47/50/207344750.db2.gz RRZQQVKPTOYGTC-UHFFFAOYSA-N 0 0 357.454 2.050 40 0 FEABRN CC[C@H]1CCCCN1C(=O)Cn1nc(-c2cc(C)oc2C)cc(N)c1=O ZINC000012183720 207344877 /nfs/dbraw/zinc/34/48/77/207344877.db2.gz LUVXQHNPQNWVIV-AWEZNQCLSA-N 0 0 358.442 2.493 40 0 FEABRN COc1ncc(C2(O)CCN(Cc3ccc(F)c(F)c3)CC2)c(OC)n1 ZINC000012186351 207345069 /nfs/dbraw/zinc/34/50/69/207345069.db2.gz RQZCQKBFZOWFFD-UHFFFAOYSA-N 0 0 365.380 2.256 40 0 FEABRN Cc1sc2nc(C3CC3)n3c(nn(CC(=O)NC(C)C)c3=O)c2c1C ZINC000012182032 207345735 /nfs/dbraw/zinc/34/57/35/207345735.db2.gz MFTYLEJZIFTQGZ-UHFFFAOYSA-N 0 0 359.455 2.125 40 0 FEABRN Cc1nn(CC(=O)NCCc2ccccc2)c(=O)c2cc3sccc3n21 ZINC000012115246 207337990 /nfs/dbraw/zinc/33/79/90/207337990.db2.gz 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352.438 2.389 40 0 FEABRN CN1CCN(C(=O)c2cc3c(s2)CCN3C(=O)c2ccc(F)cc2)CC1 ZINC000096146805 209122490 /nfs/dbraw/zinc/12/24/90/209122490.db2.gz MVFDNFFWYJXIQY-UHFFFAOYSA-N 0 0 373.453 2.478 40 0 FEABRN Cn1cnc2c1C[C@H](C(=O)NCc1ccccc1)C(=O)N2Cc1ccccc1 ZINC000096147067 209121589 /nfs/dbraw/zinc/12/15/89/209121589.db2.gz VATVNSPJLUSBHI-GOSISDBHSA-N 0 0 374.444 2.442 40 0 FEABRN CCOCc1cnc2n1CCN(C(=O)Cc1ccc3c(c1)OCO3)[C@H]2C ZINC000096109703 209115160 /nfs/dbraw/zinc/11/51/60/209115160.db2.gz FVNXTBWJTCKDFZ-ZDUSSCGKSA-N 0 0 357.410 2.294 40 0 FEABRN Cc1cc(CN2CCC3(CC[C@H](C(=O)NCc4ccco4)O3)CC2)no1 ZINC000096109998 209114081 /nfs/dbraw/zinc/11/40/81/209114081.db2.gz DPCMIDKOGRDXHM-QGZVFWFLSA-N 0 0 359.426 2.406 40 0 FEABRN C[C@@H]1c2ncc(COCC(=O)N3CCCC3)n2CCN1Cc1ccco1 ZINC000096109810 209114098 /nfs/dbraw/zinc/11/40/98/209114098.db2.gz SFDZCSKFHWFZCV-OAHLLOKOSA-N 0 0 358.442 2.192 40 0 FEABRN Cc1nc(CN2CCO[C@@H]3CN(Cc4nccs4)C[C@@H]3C2)cs1 ZINC000096108139 209112909 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CCc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1N ZINC000005241971 207088244 /nfs/dbraw/zinc/08/82/44/207088244.db2.gz LZMGUKLDCLGGIN-UHFFFAOYSA-N 0 0 354.439 2.347 40 0 FEABRN O=C(O[C@@H]1CO[C@@H](F)[C@H](O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000005664893 207111220 /nfs/dbraw/zinc/11/12/20/207111220.db2.gz MXKSZVULZXDWHM-QBPKDAKJSA-N 0 0 360.337 2.124 40 0 FEABRN Cc1cc(OC(=O)CCCCC(=O)Oc2cc(C)oc(=O)c2)cc(=O)o1 ZINC000006500763 207142049 /nfs/dbraw/zinc/14/20/49/207142049.db2.gz XAMBJASPTZUVIO-UHFFFAOYSA-N 0 0 362.334 2.281 40 0 FEABRN Cc1ccc(C)c(S(=O)(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000007248382 207191273 /nfs/dbraw/zinc/19/12/73/207191273.db2.gz RCIROAAFXWIIMC-HNNXBMFYSA-N 0 0 359.513 2.137 40 0 FEABRN Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000008240254 207224659 /nfs/dbraw/zinc/22/46/59/207224659.db2.gz ONRMCXDEHXOEBH-UHFFFAOYSA-N 0 0 372.490 2.379 40 0 FEABRN COc1ccc(-c2nnc3s/c(=C/c4ccccc4)c(=O)n32)cc1OC ZINC000009189103 207261651 /nfs/dbraw/zinc/26/16/51/207261651.db2.gz 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207340129 /nfs/dbraw/zinc/34/01/29/207340129.db2.gz DYWQEYOGQHUOPH-UHFFFAOYSA-N 0 0 352.485 2.025 40 0 FEABRN CCN(CC)c1nccc(CNc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000012143888 207342894 /nfs/dbraw/zinc/34/28/94/207342894.db2.gz MCGIEINPCBRDDQ-UHFFFAOYSA-N 0 0 369.469 2.407 40 0 FEABRN C[C@@H](C(=O)NCCc1ccccc1F)n1nc(-c2ccco2)cc(N)c1=O ZINC000012219797 207348841 /nfs/dbraw/zinc/34/88/41/207348841.db2.gz SMSYOGDOZLVGIP-LBPRGKRZSA-N 0 0 370.384 2.145 40 0 FEABRN Cc1nc(N)sc1C(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1 ZINC000012222920 207349513 /nfs/dbraw/zinc/34/95/13/207349513.db2.gz HNHBHXMZGPMUBW-UHFFFAOYSA-N 0 0 370.438 2.499 40 0 FEABRN O=C(NC1CCN(Cc2ccnc(N3CCCC3)n2)CC1)C1CCCC1 ZINC000012363926 207366047 /nfs/dbraw/zinc/36/60/47/207366047.db2.gz VYONHMFJFFYDLC-UHFFFAOYSA-N 0 0 357.502 2.348 40 0 FEABRN O=C(c1cccnc1)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000012406866 207370981 /nfs/dbraw/zinc/37/09/81/207370981.db2.gz WAYXKNFDLOWTKO-GFCCVEGCSA-N 0 0 358.352 2.477 40 0 FEABRN O=C(c1ccncc1)N1CCC(c2noc(-c3ccc(=O)[nH]c3)n2)CC1 ZINC000012407966 207371884 /nfs/dbraw/zinc/37/18/84/207371884.db2.gz YOKDHWNTRJEVHL-UHFFFAOYSA-N 0 0 351.366 2.252 40 0 FEABRN COc1ccc2c(c1)C[C@@H](C1CCOCC1)N(C(=O)c1ccn(C)n1)C2 ZINC000019290983 207655626 /nfs/dbraw/zinc/65/56/26/207655626.db2.gz DEKZTAURFSYGMP-IBGZPJMESA-N 0 0 355.438 2.422 40 0 FEABRN O=C(c1cc(-c2ccncc2)c(N2CCOCC2)s1)N1CCC[C@@H](O)C1 ZINC000019405645 207668152 /nfs/dbraw/zinc/66/81/52/207668152.db2.gz FECSYVOYMQNBFP-OAHLLOKOSA-N 0 0 373.478 2.244 40 0 FEABRN COc1ccc(CC(=O)N2CC[C@@H](c3cc4ncccc4c(=O)[nH]3)C2)cc1 ZINC000019554067 207682073 /nfs/dbraw/zinc/68/20/73/207682073.db2.gz LSAZNSSKOCHWEE-OAHLLOKOSA-N 0 0 363.417 2.490 40 0 FEABRN O=C(Cn1ncc2ccccc2c1=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000019656474 207694321 /nfs/dbraw/zinc/69/43/21/207694321.db2.gz QNCAZLYGMDBOIZ-UHFFFAOYSA-N 0 0 358.401 2.463 40 0 FEABRN CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc3ncn(C)c3c1)C2=O ZINC000019715379 207702562 /nfs/dbraw/zinc/70/25/62/207702562.db2.gz BOOAGTZXICBWLS-UHFFFAOYSA-N 0 0 369.425 2.013 40 0 FEABRN CCn1cc(-c2nnc(SCC(=O)Nc3nccs3)n2CC)cn1 ZINC000036631401 208167039 /nfs/dbraw/zinc/16/70/39/208167039.db2.gz NZZNJIKDDQAARJ-UHFFFAOYSA-N 0 0 363.472 2.369 40 0 FEABRN CCOC(=O)N1CCN(C(=O)c2ccc(Cn3ccnc3C)cc2)CC1 ZINC000038836417 208208492 /nfs/dbraw/zinc/20/84/92/208208492.db2.gz WBWBDHDZHVHLIX-UHFFFAOYSA-N 0 0 356.426 2.154 40 0 FEABRN CC[C@H](C(=O)N[C@H](C)COC)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000037021574 208176732 /nfs/dbraw/zinc/17/67/32/208176732.db2.gz WYFZHYNCJXUCIY-BXUZGUMPSA-N 0 0 362.879 2.036 40 0 FEABRN CN1C(=O)CO[C@H](c2ccc(NC(=O)CCc3ccccc3)cc2)[C@H]1CO ZINC000072321451 208187142 /nfs/dbraw/zinc/18/71/42/208187142.db2.gz ROVZELCLORMCNX-WIYYLYMNSA-N 0 0 368.433 2.149 40 0 biogenic,in-vitro FEABRN Cc1cc(C(=O)N2CCOC[C@H](Oc3cnccn3)C2)c(C(F)(F)F)o1 ZINC000077265752 208199419 /nfs/dbraw/zinc/19/94/19/208199419.db2.gz UDZWPGBAOVBNRI-LLVKDONJSA-N 0 0 371.315 2.317 40 0 biogenic,in-vitro 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355.467 2.229 40 0 FEABRN Cn1cccc1C(=O)NCc1cn2c(n1)CN(Cc1ccsc1)CC2 ZINC000096059477 209104648 /nfs/dbraw/zinc/10/46/48/209104648.db2.gz KEKGGTJFJDNRGN-UHFFFAOYSA-N 0 0 355.467 2.229 40 0 FEABRN O=C(c1cnccn1)N1CCc2c(COCc3ccncc3)cncc2C1 ZINC000096059338 209103596 /nfs/dbraw/zinc/10/35/96/209103596.db2.gz PPQARFCUZBRWPC-UHFFFAOYSA-N 0 0 361.405 2.182 40 0 FEABRN CNC(=O)C[C@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 ZINC000096052602 209102706 /nfs/dbraw/zinc/10/27/06/209102706.db2.gz UHVGWXDLMLSVFN-AWEZNQCLSA-N 0 0 362.495 2.136 40 0 FEABRN Cn1cnc2c1[C@H](COCC1CCOCC1)CN(C(=O)c1ccco1)C2 ZINC000096044990 209101092 /nfs/dbraw/zinc/10/10/92/209101092.db2.gz OZXSNLNUFDAUSQ-HNNXBMFYSA-N 0 0 359.426 2.196 40 0 FEABRN CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)CNC(C)=O)n2)s1 ZINC000072375386 208841178 /nfs/dbraw/zinc/84/11/78/208841178.db2.gz WIDJBQGGAPKDPY-CYBMUJFWSA-N 0 0 374.470 2.039 40 0 FEABRN CCc1ccc(CN2CC[C@H]3C[C@H](C(=O)Nc4cnccn4)O[C@@H]3C2)o1 ZINC000096042819 209098008 /nfs/dbraw/zinc/09/80/08/209098008.db2.gz QDKDXDIXPOUWHO-IAOVAPTHSA-N 0 0 356.426 2.250 40 0 FEABRN COc1ccccc1-c1ccc(=O)n(CC(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)n1 ZINC000095478328 209058134 /nfs/dbraw/zinc/05/81/34/209058134.db2.gz LRWTYMVGOKIRTD-PMPSAXMXSA-N 0 0 365.433 2.247 40 0 FEABRN Cc1occc1C(=O)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2 ZINC000096049012 132217266 /nfs/dbraw/zinc/21/72/66/132217266.db2.gz UYFMXBCJXSWUPW-UHFFFAOYSA-N 0 0 360.389 2.029 40 0 FEABRN Cc1ccc(N2CC[C@H]3C[C@H](C(=O)Nc4cccnc4C)O[C@@H]3C2)nn1 ZINC000096042857 132217281 /nfs/dbraw/zinc/21/72/81/132217281.db2.gz WWAWEETUKBHTKN-USXIJHARSA-N 0 0 353.426 2.111 40 0 FEABRN COCC(=O)N1Cc2ccccc2C2(CCN(c3ncc(F)cn3)CC2)C1 ZINC000096242637 132223867 /nfs/dbraw/zinc/22/38/67/132223867.db2.gz HJQOEHKZLPSUJN-UHFFFAOYSA-N 0 0 370.428 2.143 40 0 FEABRN Cc1nc(C)c(C(=O)N2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)s1 ZINC000257204905 132294806 /nfs/dbraw/zinc/29/48/06/132294806.db2.gz AWUVXVQMGPMZML-GJZGRUSLSA-N 0 0 357.435 2.016 40 0 FEABRN COc1cc(CCC(=O)N(C)[C@@H]2CCCN(c3cccc(C)n3)C2)on1 ZINC000257226646 132295216 /nfs/dbraw/zinc/29/52/16/132295216.db2.gz FLNVLIZKAMZHEP-OAHLLOKOSA-N 0 0 358.442 2.447 40 0 FEABRN Cc1ccccc1CC(=O)N(C)C[C@]1(O)CCCN(c2ccccn2)C1 ZINC000257339577 132297703 /nfs/dbraw/zinc/29/77/03/132297703.db2.gz ZCJGDCVUSKWNJX-OAQYLSRUSA-N 0 0 353.466 2.422 40 0 FEABRN C1CCN(c2nc3nc(N4CCCCC4)nc(N4CCOCC4)c3[nH]2)CC1 ZINC000005479642 132828432 /nfs/dbraw/zinc/82/84/32/132828432.db2.gz BXFLECOKAJZECH-UHFFFAOYSA-N 0 0 371.489 2.170 40 0 FEABRN Cc1cc(N2CCC(C(=O)NCC3CCCCC3)CC2)n2ncnc2n1 ZINC000035312258 132935977 /nfs/dbraw/zinc/93/59/77/132935977.db2.gz CUNASSZUJDVEKC-UHFFFAOYSA-N 0 0 356.474 2.346 40 0 FEABRN COc1ccc2[nH]c(CO[C@H]3CN(Cc4cnn(C)c4)C[C@H]3F)nc2c1 ZINC000096112278 542992281 /nfs/dbraw/zinc/99/22/81/542992281.db2.gz BOGLXTQMPNJJJX-PBHICJAKSA-N 0 0 359.405 2.044 40 0 biogenic,in-vitro FEABRN O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000101413039 543027239 /nfs/dbraw/zinc/02/72/39/543027239.db2.gz LEALWQJHZLZUMP-YESZJQIVSA-N 0 0 356.422 2.275 40 0 FEABRN CC[C@@H](C)NC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000113941346 543499069 /nfs/dbraw/zinc/49/90/69/543499069.db2.gz ZWTZVKJNSUHECV-GHMZBOCLSA-N 0 0 362.879 2.418 40 0 FEABRN CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccccc2OC)cc1 ZINC000113938724 543499088 /nfs/dbraw/zinc/49/90/88/543499088.db2.gz XNDABFCCBKLLEV-UHFFFAOYSA-N 0 0 362.451 2.411 40 0 FEABRN O=C(NCC[C@@H]1CCOC12CN(Cc1ccccc1F)C2)c1cnccn1 ZINC000247464445 549337459 /nfs/dbraw/zinc/33/74/59/549337459.db2.gz CCNMKZNHFLMTBG-MRXNPFEDSA-N 0 0 370.428 2.027 40 0 FEABRN C[C@@H](O)[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000095869951 209086155 /nfs/dbraw/zinc/08/61/55/209086155.db2.gz QPATYVMIHANOAN-LFKBUPSKSA-N 0 0 350.499 2.393 40 0 FEABRN CCS(=O)(=O)NC1CCN(C(=O)CC(C)(C)c2ccccc2)CC1 ZINC000123664745 543775511 /nfs/dbraw/zinc/77/55/11/543775511.db2.gz QFYFPABSRHKOMG-UHFFFAOYSA-N 0 0 352.500 2.285 40 0 FEABRN NC(=O)c1c(NC(=S)NC(=O)C=Cc2ccco2)sc2c1CCC2 ZINC000006883751 263348061 /nfs/dbraw/zinc/34/80/61/263348061.db2.gz QSRFVMFVNYASKJ-VOTSOKGWSA-N 0 0 361.448 2.455 40 0 FEABRN CCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCCC2)c1 ZINC000008405235 263354510 /nfs/dbraw/zinc/35/45/10/263354510.db2.gz CFUCCZCGCHYRGH-UHFFFAOYSA-N 0 0 354.472 2.400 40 0 FEABRN COCCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1 ZINC000028206517 263389735 /nfs/dbraw/zinc/38/97/35/263389735.db2.gz TUOJPXFGSZJCAT-UHFFFAOYSA-N 0 0 374.462 2.204 40 0 FEABRN COCCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000027408951 263389992 /nfs/dbraw/zinc/38/99/92/263389992.db2.gz PFQRMWSGYYLSOE-UHFFFAOYSA-N 0 0 356.378 2.086 40 0 FEABRN CCOC(=O)Nc1cc(S(=O)(=O)NCc2ccncc2)ccc1OC ZINC000408586147 263476377 /nfs/dbraw/zinc/47/63/77/263476377.db2.gz MBBRXBALQPKERC-UHFFFAOYSA-N 0 0 365.411 2.137 40 0 FEABRN Cc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C(=O)NC(C)C ZINC000408611539 263482327 /nfs/dbraw/zinc/48/23/27/263482327.db2.gz XJROLBWPDADFAE-UHFFFAOYSA-N 0 0 356.488 2.227 40 0 FEABRN CCOc1ccc(C(=O)N[C@@H](C)CC)cc1S(=O)(=O)N1CCCC1 ZINC000408697922 263484812 /nfs/dbraw/zinc/48/48/12/263484812.db2.gz MURINJXGWFNZFM-ZDUSSCGKSA-N 0 0 354.472 2.398 40 0 FEABRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc3c(c2)OCCO3)C1=O ZINC000409084236 263524483 /nfs/dbraw/zinc/52/44/83/263524483.db2.gz AOOVJJVUSMEQDA-RIYZIHGNSA-N 0 0 363.391 2.446 40 0 FEABRN CCOc1c(Br)cc([C@H]2CC(=O)N=C3N=CNN32)cc1OC ZINC000409375581 263552257 /nfs/dbraw/zinc/55/22/57/263552257.db2.gz MRGZHIQCCLXGJB-SNVBAGLBSA-N 0 0 367.203 2.032 40 0 FEABRN COc1cccc(-c2ccc3c(c2)O[C@H]2CN(C(C)=O)C[C@H]2N(C)C3=O)c1 ZINC000514289821 263776478 /nfs/dbraw/zinc/77/64/78/263776478.db2.gz OXDBSHPNVLMMST-QUCCMNQESA-N 0 0 366.417 2.426 40 0 biogenic,in-vitro FEABRN CC1CCN(C(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 ZINC000020110297 520985359 /nfs/dbraw/zinc/98/53/59/520985359.db2.gz KYHVEDDWTMMALC-HNNXBMFYSA-N 0 0 372.874 2.126 40 0 FEABRN COc1cc([C@H]2C[C@@](O)(C3(O)CCCCC3)ON2)cc(OC)c1OC ZINC000078547010 522962080 /nfs/dbraw/zinc/96/20/80/522962080.db2.gz ZDVFVGCGQOMJDF-ACJLOTCBSA-N 0 0 353.415 2.062 40 0 FEABRN COc1ccc(C)cc1N(CC(=O)N(C)C1CCCC1)S(C)(=O)=O ZINC000020037598 523816942 /nfs/dbraw/zinc/81/69/42/523816942.db2.gz ONKFFXWFYPCTGR-UHFFFAOYSA-N 0 0 354.472 2.171 40 0 FEABRN Cc1ccc(C)c(N(CC(=O)NC2CCCCC2)S(=O)(=O)N(C)C)c1 ZINC000020244546 524117922 /nfs/dbraw/zinc/11/79/22/524117922.db2.gz QAVRFTJDALYLGU-UHFFFAOYSA-N 0 0 367.515 2.365 40 0 FEABRN CC(C)c1cc(C(=O)N(C)C[C@]2(O)CCCN(c3ccccn3)C2)on1 ZINC000257310870 535343640 /nfs/dbraw/zinc/34/36/40/535343640.db2.gz UGYZTEHGPGZPSX-LJQANCHMSA-N 0 0 358.442 2.297 40 0 FEABRN CCOC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC000045958143 535502243 /nfs/dbraw/zinc/50/22/43/535502243.db2.gz GLNADZFGLPJUDB-GFCCVEGCSA-N 0 0 352.818 2.093 40 0 FEABRN O=C(Cn1nc(-c2ccccc2F)ccc1=O)NC[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000169680698 546160012 /nfs/dbraw/zinc/16/00/12/546160012.db2.gz ZEJNZVAKHQAOSB-RRFJBIMHSA-N 0 0 353.397 2.378 40 0 FEABRN [NH3+]C[C@]1(C(=O)[O-])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218574187 548687407 /nfs/dbraw/zinc/68/74/07/548687407.db2.gz JMOSYQVSXYVIJF-ZOBUZTSGSA-N 0 0 365.838 2.309 40 0 FEABRN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@@]2(C[NH3+])C(=O)[O-])cc1 ZINC000218630198 548689214 /nfs/dbraw/zinc/68/92/14/548689214.db2.gz ZHUZNAAJMSGAJY-JFIYKMOQSA-N 0 0 363.410 2.104 40 0 FEABRN CC[NH+](CC)Cc1c(=O)n(-c2ccc(C)c(Cl)c2)c(=O)[nH]c1C(=O)[O-] ZINC000222668002 548709876 /nfs/dbraw/zinc/70/98/76/548709876.db2.gz FXOCVSYCMSHYMI-UHFFFAOYSA-N 0 0 365.817 2.028 40 0 FEABRN Nc1nnc(COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)s1 ZINC000222644119 548709984 /nfs/dbraw/zinc/70/99/84/548709984.db2.gz CQSOWHRKQRAOTH-UHFFFAOYSA-N 0 0 368.484 2.310 40 0 FEABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-n1cnnc1 ZINC000222729193 548711690 /nfs/dbraw/zinc/71/16/90/548711690.db2.gz MXZBAWOIGXHADD-JKSUJKDBSA-N 0 0 353.455 2.005 40 0 FEABRN C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000222755543 548711906 /nfs/dbraw/zinc/71/19/06/548711906.db2.gz LXNHJPGHSYHILC-AWEZNQCLSA-N 0 0 374.462 2.294 40 0 FEABRN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3CCCCC3)s2)c1 ZINC000222828297 548713513 /nfs/dbraw/zinc/71/35/13/548713513.db2.gz LPEVBHOAZJYFJA-UHFFFAOYSA-N 0 0 366.468 2.273 40 0 FEABRN CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 ZINC000223303287 548718633 /nfs/dbraw/zinc/71/86/33/548718633.db2.gz VULIRCCJEDKABI-UHFFFAOYSA-N 0 0 352.387 2.094 40 0 FEABRN CNC(=O)CSc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000223398239 548719370 /nfs/dbraw/zinc/71/93/70/548719370.db2.gz KOUXVZOHVAVFBH-UHFFFAOYSA-N 0 0 364.492 2.345 40 0 FEABRN CNS(=O)(=O)c1cccc(C(=O)NCCOc2cccc(C)c2C)c1 ZINC000223971829 548726221 /nfs/dbraw/zinc/72/62/21/548726221.db2.gz XKNVEMRNNMONGF-UHFFFAOYSA-N 0 0 362.451 2.020 40 0 FEABRN CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCC(C)(C)C)cc1 ZINC000226087060 548747375 /nfs/dbraw/zinc/74/73/75/548747375.db2.gz HJPBOTDPIDFEHE-UHFFFAOYSA-N 0 0 356.488 2.162 40 0 FEABRN Cc1ccc(S(=O)(=O)NC2=NCN([C@@H]3CCC[C@@H](C)[C@@H]3C)CN2)cc1 ZINC000227131609 548750845 /nfs/dbraw/zinc/75/08/45/548750845.db2.gz PQKMFLZHIKHBLP-HLLBOEOZSA-N 0 0 364.515 2.274 40 0 FEABRN [NH3+][C@]1(C(=O)[O-])[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242538953 548887060 /nfs/dbraw/zinc/88/70/60/548887060.db2.gz JJIKVSIYIUJRRX-SQWLQELKSA-N 0 0 351.811 2.062 40 0 FEABRN CC(=O)c1cccc(N(CC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)c1 ZINC000243184463 548888131 /nfs/dbraw/zinc/88/81/31/548888131.db2.gz JYCICLXXCPDMSQ-UHFFFAOYSA-N 0 0 374.462 2.314 40 0 FEABRN O=C(COC1CCCC1)N1Cc2ccnn2C[C@H](OCc2ccccn2)C1 ZINC000247731970 549374814 /nfs/dbraw/zinc/37/48/14/549374814.db2.gz HRCIHGCPLJXXER-LJQANCHMSA-N 0 0 370.453 2.165 40 0 FEABRN Cc1cccc(CO[C@H]2CSC3(CN(C(=O)c4cnccn4)C3)C2)n1 ZINC000247855470 549386468 /nfs/dbraw/zinc/38/64/68/549386468.db2.gz CNDDUWKIIOORLT-OAHLLOKOSA-N 0 0 356.451 2.097 40 0 FEABRN O=C(CCc1ccccc1)N1CC2(C1)C[C@H](Oc1ncccn1)CCO2 ZINC000247873273 549388445 /nfs/dbraw/zinc/38/84/45/549388445.db2.gz RWFJSFOZGUTQTF-QGZVFWFLSA-N 0 0 353.422 2.248 40 0 FEABRN COc1cc(N2CC3(C2)C[C@@H](CCOCc2ccccn2)CCO3)ncn1 ZINC000247892253 549391110 /nfs/dbraw/zinc/39/11/10/549391110.db2.gz NESJGKUWZKZNHN-INIZCTEOSA-N 0 0 370.453 2.473 40 0 FEABRN Cc1cc(CN2CCn3cc(CC(=O)NCC4CCC4)nc3[C@H]2C)no1 ZINC000247947431 549394519 /nfs/dbraw/zinc/39/45/19/549394519.db2.gz WZMQVIJXQYYMGP-CQSZACIVSA-N 0 0 357.458 2.215 40 0 FEABRN CNC(=O)C[C@@H]1CN(C(=O)Cc2csc3ccccc23)Cc2ccnn21 ZINC000247981440 549397729 /nfs/dbraw/zinc/39/77/29/549397729.db2.gz XTVSDIKIQSBPJN-OAHLLOKOSA-N 0 0 368.462 2.360 40 0 FEABRN Cc1ccccc1C(=O)N1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O ZINC000248158537 549413384 /nfs/dbraw/zinc/41/33/84/549413384.db2.gz NBDDUBBBUXUJDF-INIZCTEOSA-N 0 0 363.479 2.051 40 0 FEABRN CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cccc(Cl)c1)C2 ZINC000253381073 549685747 /nfs/dbraw/zinc/68/57/47/549685747.db2.gz COWMEEAVRUTKKO-CYBMUJFWSA-N 0 0 357.859 2.006 40 0 FEABRN C[C@@H]1c2nc(C(=O)N3CCCC3)cn2CCN1Cc1ccc2c(c1)OCO2 ZINC000253591472 549695871 /nfs/dbraw/zinc/69/58/71/549695871.db2.gz NSQRJEPTZZZMLB-CQSZACIVSA-N 0 0 368.437 2.425 40 0 FEABRN C[C@@]12CC[C@@H](C[C@H]1C(=O)N1CCOCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 ZINC000253596233 549697355 /nfs/dbraw/zinc/69/73/55/549697355.db2.gz OSQUKUJNMBEZBW-ACRWPFGISA-N 0 0 370.449 2.190 40 0 FEABRN Cc1cnc(NCC[C@H]2CCOC23CN(C(=O)COC2CCCC2)C3)nc1 ZINC000253600525 549697436 /nfs/dbraw/zinc/69/74/36/549697436.db2.gz QTDRIZXWLDGBKY-INIZCTEOSA-N 0 0 374.485 2.164 40 0 FEABRN CCS(=O)(=O)N1CCCc2cc(I)ccc21 ZINC000256050155 549710724 /nfs/dbraw/zinc/71/07/24/549710724.db2.gz CYHDXYCXTADQHC-UHFFFAOYSA-N 0 0 351.209 2.394 40 0 FEABRN Cc1cc(C)nc([C@H]2CCN(C(=O)CCn3nnc4ccccc43)C2)n1 ZINC000257216493 549718460 /nfs/dbraw/zinc/71/84/60/549718460.db2.gz CUSLXGNCIVXEDY-HNNXBMFYSA-N 0 0 350.426 2.244 40 0 FEABRN Cc1nc(CC(=O)N2CCCC[C@@H]2c2cc(=O)n3cc[nH]c3n2)cs1 ZINC000257216512 549719036 /nfs/dbraw/zinc/71/90/36/549719036.db2.gz 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571220622 /nfs/dbraw/zinc/22/06/22/571220622.db2.gz NQSPXEKPGFTDBH-SNVBAGLBSA-N 0 0 350.806 2.304 40 0 FEABRN CCCCC(=O)N1CCn2cc(CC(=O)NCc3ccccn3)nc2[C@@H]1C ZINC000585098180 571220789 /nfs/dbraw/zinc/22/07/89/571220789.db2.gz QWLGMKISMQUPRD-HNNXBMFYSA-N 0 0 369.469 2.230 40 0 FEABRN CNC(=O)C[C@@H]1Cn2cccc2CN(C(=O)c2cc(F)c(F)cc2C)C1 ZINC000585099235 571221656 /nfs/dbraw/zinc/22/16/56/571221656.db2.gz XUROFEVOARCVKG-CYBMUJFWSA-N 0 0 361.392 2.483 40 0 FEABRN Cc1cccc(CO[C@H]2CSC3(CN(C(=O)c4ccn(C)n4)C3)C2)n1 ZINC000585104660 571223931 /nfs/dbraw/zinc/22/39/31/571223931.db2.gz KNMLXPBIFCXAFT-OAHLLOKOSA-N 0 0 358.467 2.040 40 0 FEABRN COCC[C@H]1CCOC12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000585104744 571224239 /nfs/dbraw/zinc/22/42/39/571224239.db2.gz LVRXPLSYJQWIIO-AWEZNQCLSA-N 0 0 357.447 2.422 40 0 FEABRN CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)[C@H]1CCCO1)C2 ZINC000585107510 571224639 /nfs/dbraw/zinc/22/46/39/571224639.db2.gz YOCZQLBIVGRNSR-UZLBHIALSA-N 0 0 352.438 2.319 40 0 FEABRN 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ZTPOVJDOJGRKTI-UHFFFAOYSA-N 0 0 373.482 2.218 40 0 FEABRN CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1csnn1)C1CC1 ZINC000004858817 539394188 /nfs/dbraw/zinc/39/41/88/539394188.db2.gz SCQZVYZJZAYEAE-CQSZACIVSA-N 0 0 359.455 2.194 40 0 FEABRN CCOCCCNC(=O)CSc1nnc2c3cc(C)ccc3n(C)c2n1 ZINC000004856307 539393768 /nfs/dbraw/zinc/39/37/68/539393768.db2.gz YGIAJRHPGYTCMM-UHFFFAOYSA-N 0 0 373.482 2.460 40 0 FEABRN CSc1nnc([C@H]2CCCN(CC(=O)N3CCCCCC3)C2)n1C ZINC000005001462 539399801 /nfs/dbraw/zinc/39/98/01/539399801.db2.gz XNYJFTXUMVTUNF-AWEZNQCLSA-N 0 0 351.520 2.119 40 0 FEABRN O=C(NCCc1cccs1)[C@@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 ZINC000004986737 539398572 /nfs/dbraw/zinc/39/85/72/539398572.db2.gz MPKHZKXUMNPYQN-HOCLYGCPSA-N 0 0 359.451 2.074 40 0 FEABRN CC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)NCCOC ZINC000005414273 539410380 /nfs/dbraw/zinc/41/03/80/539410380.db2.gz XBUPGHMEHXSBFK-HOCLYGCPSA-N 0 0 350.434 2.467 40 0 biogenic,in-vitro FEABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCC(C)C)cc1 ZINC000006051123 539420517 /nfs/dbraw/zinc/42/05/17/539420517.db2.gz BUIPRHGGTJATHI-UHFFFAOYSA-N 0 0 356.488 2.306 40 0 FEABRN CC(C)Oc1ccc(/C=C(/C#N)C(=O)NC(N)=O)cc1Br ZINC000006345865 539425917 /nfs/dbraw/zinc/42/59/17/539425917.db2.gz XWWYQRAVJXQFRR-YHYXMXQVSA-N 0 0 352.188 2.338 40 0 FEABRN CC(C)CCNC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000006325769 539426232 /nfs/dbraw/zinc/42/62/32/539426232.db2.gz YCXIZYLMFRJMJX-UHFFFAOYSA-N 0 0 356.488 2.305 40 0 FEABRN CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NC2CCCCC2)cc1 ZINC000006326739 539426520 /nfs/dbraw/zinc/42/65/20/539426520.db2.gz VRBIFTZGXHVIGU-UHFFFAOYSA-N 0 0 368.499 2.449 40 0 FEABRN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCC(C)C ZINC000006202994 539424128 /nfs/dbraw/zinc/42/41/28/539424128.db2.gz PGEUHMSHLPVVRO-UHFFFAOYSA-N 0 0 356.488 2.080 40 0 FEABRN Cc1cccc(C)c1N(CC(=O)NCCCOC(C)C)S(C)(=O)=O ZINC000006479145 539428157 /nfs/dbraw/zinc/42/81/57/539428157.db2.gz WKCUFWIEELZMSI-UHFFFAOYSA-N 0 0 356.488 2.001 40 0 FEABRN CCN(C)S(=O)(=O)c1csc(C(=O)NCc2ccc(OC)cc2)c1 ZINC000006680397 539433659 /nfs/dbraw/zinc/43/36/59/539433659.db2.gz USRGMZLQTRHSPU-UHFFFAOYSA-N 0 0 368.480 2.327 40 0 FEABRN Cc1cc(N2CCOCC2)nc(SC[C@H](O)COc2ccccc2)n1 ZINC000006796867 539436969 /nfs/dbraw/zinc/43/69/69/539436969.db2.gz UCETWXKJMHWMQF-OAHLLOKOSA-N 0 0 361.467 2.154 40 0 FEABRN Cc1cc(N2CCOCC2)nc(SC[C@@H](O)COc2ccccc2)n1 ZINC000006796869 539437324 /nfs/dbraw/zinc/43/73/24/539437324.db2.gz UCETWXKJMHWMQF-HNNXBMFYSA-N 0 0 361.467 2.154 40 0 FEABRN COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000008158279 539478754 /nfs/dbraw/zinc/47/87/54/539478754.db2.gz CELKCVQDPOODPF-UHFFFAOYSA-N 0 0 372.805 2.405 40 0 FEABRN Cc1ccc(/C=C2\SC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc1 ZINC000008371637 539485118 /nfs/dbraw/zinc/48/51/18/539485118.db2.gz AUEUZMMXOPNLJP-WJQTUHTMSA-N 0 0 360.435 2.327 40 0 FEABRN C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)NC[C@@H]4CCCO4)cc3)C(=O)[C@@H]21 ZINC000008470585 539487022 /nfs/dbraw/zinc/48/70/22/539487022.db2.gz IYYAXVMNCOYEMB-XFKAJCMBSA-N 0 0 368.433 2.297 40 0 FEABRN O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)Nc2nc(-c3cccnc3)nn21 ZINC000009926461 539510038 /nfs/dbraw/zinc/51/00/38/539510038.db2.gz SNWQDFCSGFHXSA-ZDUSSCGKSA-N 0 0 352.329 2.001 40 0 FEABRN Cc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1NS(C)(=O)=O ZINC000010112968 539513841 /nfs/dbraw/zinc/51/38/41/539513841.db2.gz NGNQSOPJHQRYDH-UHFFFAOYSA-N 0 0 373.478 2.329 40 0 FEABRN C[C@H]1CCCC[C@H]1NC(=O)CN1c2ccccc2C(=O)N2CCC[C@H]2C1=O ZINC000012146235 539546632 /nfs/dbraw/zinc/54/66/32/539546632.db2.gz YKHQXHVNESJNKA-LESCRADOSA-N 0 0 369.465 2.333 40 0 FEABRN Cc1ccc(C2=NO[C@@H](CC3(C(=O)NC[C@H](C)O)CCOCC3)C2)cc1 ZINC000012157055 539547844 /nfs/dbraw/zinc/54/78/44/539547844.db2.gz VBFQRMNRVSALIQ-DOTOQJQBSA-N 0 0 360.454 2.172 40 0 FEABRN Cc1ccc(=O)n(CC(=O)N[C@@H](Cc2ccsc2)c2ncccc2C)n1 ZINC000012229534 539551358 /nfs/dbraw/zinc/55/13/58/539551358.db2.gz JGQUBRMIRPMLNT-INIZCTEOSA-N 0 0 368.462 2.417 40 0 FEABRN CC(C)CCNS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 ZINC000013585806 539588714 /nfs/dbraw/zinc/58/87/14/539588714.db2.gz CBSKBDVQFZBQRO-UHFFFAOYSA-N 0 0 356.469 2.050 40 0 FEABRN O=C(N[C@H]1CCCc2nc(N3CCOCC3)ncc21)c1ccccc1F ZINC000013266854 539584822 /nfs/dbraw/zinc/58/48/22/539584822.db2.gz BYNNEUWDSPITBC-INIZCTEOSA-N 0 0 356.401 2.260 40 0 FEABRN O=C(c1cccnc1)N1CCC[C@H](c2cc(=O)[nH]c(-c3cnccn3)n2)C1 ZINC000013266149 539584876 /nfs/dbraw/zinc/58/48/76/539584876.db2.gz XYKUFDFSESYDTC-AWEZNQCLSA-N 0 0 362.393 2.054 40 0 FEABRN CNc1cccc([C@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)n1 ZINC000257344947 210004128 /nfs/dbraw/zinc/00/41/28/210004128.db2.gz ZZIFNKZHUZBTTI-QGZVFWFLSA-N 0 0 354.458 2.087 40 0 FEABRN Cc1nc(-c2ccnn2C(C)C)cc([C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000257336170 210002979 /nfs/dbraw/zinc/00/29/79/210002979.db2.gz YNLVYWAVQNPZON-AWEZNQCLSA-N 0 0 363.487 2.368 40 0 FEABRN CCc1nccn1CC(=O)N(C)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O ZINC000257330766 210000768 /nfs/dbraw/zinc/00/07/68/210000768.db2.gz XPWIACCWNJIPCF-UWVAXJGDSA-N 0 0 357.454 2.265 40 0 FEABRN CN(C)c1cc([C@H]2CCCN2C(=O)Cn2nnc3ccccc32)ccn1 ZINC000257259927 209979961 /nfs/dbraw/zinc/97/99/61/209979961.db2.gz LARMPIKUNISHRQ-MRXNPFEDSA-N 0 0 350.426 2.256 40 0 FEABRN CCOc1ccc(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000015083140 539611855 /nfs/dbraw/zinc/61/18/55/539611855.db2.gz LLRRNNLIWZYVDO-UHFFFAOYSA-N 0 0 359.403 2.155 40 0 FEABRN COc1ncccc1C(=O)N1CCC[C@H]1c1cccc(CNC(C)=O)n1 ZINC000257203742 209964089 /nfs/dbraw/zinc/96/40/89/209964089.db2.gz ARLWCJYCSQQQAL-KRWDZBQOSA-N 0 0 354.410 2.099 40 0 FEABRN Cc1cc(C(=O)N2Cc3ccnn3[C@@H](CCOCc3ccncc3)C2)on1 ZINC000253600101 209948838 /nfs/dbraw/zinc/94/88/38/209948838.db2.gz HBYMYOXOBYOPIW-KRWDZBQOSA-N 0 0 367.409 2.379 40 0 FEABRN Cc1ccccc1C1=NO[C@@H](CC2(C(=O)NC[C@H](C)O)CCOCC2)C1 ZINC000019236960 539653336 /nfs/dbraw/zinc/65/33/36/539653336.db2.gz PLORORJDYQVXAH-JKSUJKDBSA-N 0 0 360.454 2.172 40 0 FEABRN CC(C)(C)[C@H]1CCc2nc(NC(=O)[C@H]3CCC(=O)NC(=O)N3)sc2C1 ZINC000019082483 539651283 /nfs/dbraw/zinc/65/12/83/539651283.db2.gz RYXJPGSEEBGFJN-GXSJLCMTSA-N 0 0 364.471 2.221 40 0 FEABRN O=C(CCn1cccn1)N1CCC(c2nnc(-c3ccccn3)o2)CC1 ZINC000019403438 539656819 /nfs/dbraw/zinc/65/68/19/539656819.db2.gz XVNIVXWAAVABKN-UHFFFAOYSA-N 0 0 352.398 2.124 40 0 FEABRN NC(=O)C1CCN(c2ncc(-c3ccncc3)c([C@@H]3CCCO3)n2)CC1 ZINC000019405699 539657301 /nfs/dbraw/zinc/65/73/01/539657301.db2.gz ZBOFELUOKMFIPA-INIZCTEOSA-N 0 0 353.426 2.092 40 0 FEABRN CCc1cc(=O)[nH]c([C@@H]2CCCN(C(=O)COc3ccccc3OC)C2)n1 ZINC000019522480 539658156 /nfs/dbraw/zinc/65/81/56/539658156.db2.gz XMWMDQLULIIROA-CQSZACIVSA-N 0 0 371.437 2.126 40 0 FEABRN CC[C@]1(C(=O)OC)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000019500827 539658319 /nfs/dbraw/zinc/65/83/19/539658319.db2.gz CSSBPZDYBJWQFO-ULMVMLMRSA-N 0 0 368.389 2.052 40 0 FEABRN Cc1nc([C@H]2CCCN(C(=O)[C@H](C)Cn3cncn3)C2)c2sccn12 ZINC000019240727 539653928 /nfs/dbraw/zinc/65/39/28/539653928.db2.gz VZFYAWDPJGQWDT-OCCSQVGLSA-N 0 0 358.471 2.338 40 0 FEABRN CN(C)c1ncc(-c2ccncc2)c(CCNC(=O)CC[C@H]2CCCO2)n1 ZINC000019585342 539662150 /nfs/dbraw/zinc/66/21/50/539662150.db2.gz CXNDHSZOXICPLB-MRXNPFEDSA-N 0 0 369.469 2.223 40 0 FEABRN CN(C)C(=O)c1cncnc1-c1ccc(CNC(=O)c2cccnc2)cc1 ZINC000019581463 539662264 /nfs/dbraw/zinc/66/22/64/539662264.db2.gz VNMUUQHZIZRKEX-UHFFFAOYSA-N 0 0 361.405 2.170 40 0 FEABRN Cc1nonc1NC(=O)CN1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000019654526 539663990 /nfs/dbraw/zinc/66/39/90/539663990.db2.gz JTNZTCNVYPQFJA-ZDUSSCGKSA-N 0 0 354.414 2.148 40 0 FEABRN CNC(=O)c1sc2ncccc2c1[C@@H]1CN(c2ncccn2)CCO1 ZINC000019702670 539664954 /nfs/dbraw/zinc/66/49/54/539664954.db2.gz VXLXEGLETNFMTK-LBPRGKRZSA-N 0 0 355.423 2.024 40 0 FEABRN COc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)N1CCN(CCO)CC1)CC2 ZINC000020504647 539675912 /nfs/dbraw/zinc/67/59/12/539675912.db2.gz UYJCXAMIYAOJLV-FUHWJXTLSA-N 0 0 374.525 2.190 40 0 biogenic,in-vitro FEABRN CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)CC1 ZINC000020634616 539676428 /nfs/dbraw/zinc/67/64/28/539676428.db2.gz DICQBIGGYYCSMA-QGZVFWFLSA-N 0 0 358.438 2.210 40 0 FEABRN COCC(=O)N1CCC(c2nc(C)c3c(n2)N(CC(C)C)C(=O)CC3)CC1 ZINC000019739401 539668144 /nfs/dbraw/zinc/66/81/44/539668144.db2.gz AXLGUGZWVGXYEP-UHFFFAOYSA-N 0 0 374.485 2.073 40 0 FEABRN C[C@H](c1cc(=O)[nH]c(NC2CCCC2)n1)n1ncc2ccccc2c1=O ZINC000019717936 539668309 /nfs/dbraw/zinc/66/83/09/539668309.db2.gz QUFALFXTHPIVEE-GFCCVEGCSA-N 0 0 351.410 2.444 40 0 FEABRN O=C(Cn1ccccc1=O)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000019719108 539668613 /nfs/dbraw/zinc/66/86/13/539668613.db2.gz XAJLDEFEBMCOGU-UHFFFAOYSA-N 0 0 365.355 2.216 40 0 FEABRN COCC(=O)N1CCC[C@@H]1c1nc(C)ncc1C(=O)NC1CCCCC1 ZINC000019767120 539668913 /nfs/dbraw/zinc/66/89/13/539668913.db2.gz COSQYIHOOBWXSM-MRXNPFEDSA-N 0 0 360.458 2.157 40 0 FEABRN CCC[C@@]1(C(=O)OCC)N[C@@H](c2cccs2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000020150504 539672487 /nfs/dbraw/zinc/67/24/87/539672487.db2.gz JMAYTTKKIKIUGQ-MOROJQBDSA-N 0 0 364.467 2.116 40 0 FEABRN CC1CCN(C(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 ZINC000020110298 539672626 /nfs/dbraw/zinc/67/26/26/539672626.db2.gz KYHVEDDWTMMALC-OAHLLOKOSA-N 0 0 372.874 2.126 40 0 FEABRN CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(F)cc1 ZINC000020245154 539673306 /nfs/dbraw/zinc/67/33/06/539673306.db2.gz BUVPPWYEBAAMOP-UHFFFAOYSA-N 0 0 369.393 2.216 40 0 FEABRN CCC[C@H](C)NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000020244855 539673384 /nfs/dbraw/zinc/67/33/84/539673384.db2.gz IBZPQWZRMHJEOJ-HNNXBMFYSA-N 0 0 355.504 2.221 40 0 FEABRN Cc1ccc([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 ZINC000020460412 539675241 /nfs/dbraw/zinc/67/52/41/539675241.db2.gz RVEDBEVQJZTJMS-RDTXWAMCSA-N 0 0 374.462 2.399 40 0 FEABRN CCSc1nnc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)s1 ZINC000021282010 539682105 /nfs/dbraw/zinc/68/21/05/539682105.db2.gz CSOJVEPMCWJJLB-UHFFFAOYSA-N 0 0 358.470 2.274 40 0 FEABRN CCCCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C ZINC000022230149 539692645 /nfs/dbraw/zinc/69/26/45/539692645.db2.gz ZFAPGZWXQVONMK-MRXNPFEDSA-N 0 0 368.499 2.463 40 0 FEABRN CCCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C ZINC000022229574 539692675 /nfs/dbraw/zinc/69/26/75/539692675.db2.gz DZFZJCLDWOJGMF-OAHLLOKOSA-N 0 0 354.472 2.073 40 0 FEABRN O=C(Nc1nnc(SCCN2CCOCC2)s1)NC1CCCCC1 ZINC000022908730 539702836 /nfs/dbraw/zinc/70/28/36/539702836.db2.gz KWLOTYXBUYXFMO-UHFFFAOYSA-N 0 0 371.532 2.417 40 0 FEABRN CCCc1c(COC)nc(N2CCN(c3cccc(OC)c3)CC2)[nH]c1=O ZINC000022448536 539695236 /nfs/dbraw/zinc/69/52/36/539695236.db2.gz GXSMBLNUDGPBCZ-UHFFFAOYSA-N 0 0 372.469 2.204 40 0 FEABRN Cc1nc(COC[C@H]2CCOC23CN(C(=O)c2ccncc2)C3)cs1 ZINC000248028325 209923699 /nfs/dbraw/zinc/92/36/99/209923699.db2.gz LDVBORVRARUJAD-OAHLLOKOSA-N 0 0 359.451 2.294 40 0 FEABRN Cn1cccc1C(=O)NCC[C@H]1CCOC12CN(Cc1cccs1)C2 ZINC000248132756 209925164 /nfs/dbraw/zinc/92/51/64/209925164.db2.gz NRYJEZBKFSQIBX-HNNXBMFYSA-N 0 0 359.495 2.498 40 0 FEABRN Cc1ncoc1C(=O)N1CC2(C1)C[C@@H](OCC1CCOCC1)CS2 ZINC000248044558 209922065 /nfs/dbraw/zinc/92/20/65/209922065.db2.gz PYFBQVIHTXLGLI-CQSZACIVSA-N 0 0 352.456 2.126 40 0 FEABRN O=S(=O)(c1ccccc1)N1CC2(C1)C[C@@H](Oc1cccnc1)CS2 ZINC000247324343 209914492 /nfs/dbraw/zinc/91/44/92/209914492.db2.gz MZIFGFPSFIFFBA-OAHLLOKOSA-N 0 0 362.476 2.409 40 0 FEABRN COc1ccc(C(=O)N2CCC(C(=O)NCc3cccnc3)CC2)cc1 ZINC000029708637 539862118 /nfs/dbraw/zinc/86/21/18/539862118.db2.gz PIAUEVPZAMDCFG-UHFFFAOYSA-N 0 0 353.422 2.259 40 0 FEABRN C[C@@H](CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1 ZINC000225090002 209797702 /nfs/dbraw/zinc/79/77/02/209797702.db2.gz UZDNWZQURZKKMS-AWEZNQCLSA-N 0 0 372.446 2.422 40 0 FEABRN CCOc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000033765199 539975216 /nfs/dbraw/zinc/97/52/16/539975216.db2.gz JGRUFADOTJLHQB-UHFFFAOYSA-N 0 0 369.421 2.396 40 0 FEABRN Cc1nn([C@@H](C)CCNS(=O)(=O)c2cn(C)nc2C)c(C)c1Cl ZINC000036614871 539991351 /nfs/dbraw/zinc/99/13/51/539991351.db2.gz NFPURQDTIIQVDR-VIFPVBQESA-N 0 0 359.883 2.125 40 0 FEABRN COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C ZINC000223574180 209763848 /nfs/dbraw/zinc/76/38/48/209763848.db2.gz GNMGAQYKJBWNPH-QZTJIDSGSA-N 0 0 374.510 2.111 40 0 FEABRN CCc1cc2c(c(Br)c1)O[C@]1(C=C(C)OC(N)=C1C(N)=O)N2 ZINC000040546232 540010819 /nfs/dbraw/zinc/01/08/19/540010819.db2.gz GYCXGCAGSSMLEI-HNNXBMFYSA-N 0 0 366.215 2.102 40 0 FEABRN CC[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 ZINC000044949483 540145997 /nfs/dbraw/zinc/14/59/97/540145997.db2.gz VGBIXDOZROJYKO-HNNXBMFYSA-N 0 0 358.419 2.099 40 0 FEABRN COc1ccccc1NC(=O)C[C@H]1C(=O)OCCN1Cc1ccccc1 ZINC000054672212 540601026 /nfs/dbraw/zinc/60/10/26/540601026.db2.gz HFQKTTZDAWPMHX-KRWDZBQOSA-N 0 0 354.406 2.451 40 0 FEABRN CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)COc2ccccc2C)c1 ZINC000055693407 540671348 /nfs/dbraw/zinc/67/13/48/540671348.db2.gz CGYFBPUEFHWUEF-CQSZACIVSA-N 0 0 362.451 2.100 40 0 FEABRN Cc1nc(Nc2cc([C@H]3CCN(CC(=O)N(C)C)C3)nc(C)n2)sc1C ZINC000257252180 223039330 /nfs/dbraw/zinc/03/93/30/223039330.db2.gz JTVBDDRBMKDSOP-AWEZNQCLSA-N 0 0 374.514 2.479 40 0 FEABRN CCOC(=O)c1ccc([C@H]2N=c3cc(C)c(N)c(Br)c3=N2)cc1 ZINC000103533751 209492051 /nfs/dbraw/zinc/49/20/51/209492051.db2.gz UNTPSIYMJGNBAD-INIZCTEOSA-N 0 0 374.238 2.468 40 0 FEABRN CC[C@H]1CN(C(=O)N2CCOCC2)CC[C@H]1CC(=O)Nc1nccs1 ZINC000005414259 209444823 /nfs/dbraw/zinc/44/48/23/209444823.db2.gz NPTLQCBTMBAMBD-KBPBESRZSA-N 0 0 366.487 2.272 40 0 biogenic,in-vitro FEABRN COc1cc2c(cc1O)[C@@]1(Cc3ccc4c(c3[C@H]1O)OCO4)N(C)CC2 ZINC000001624081 209392555 /nfs/dbraw/zinc/39/25/55/209392555.db2.gz YUIGSRGRYOBFRF-WOJBJXKFSA-N 0 0 355.390 2.102 40 0 biogenic,in-vitro FEABRN Cc1ccc2c(c1)nnn2C1CCN(C(=S)NC[C@@H]2CCCO2)CC1 ZINC000001380679 209390953 /nfs/dbraw/zinc/39/09/53/209390953.db2.gz CPZWBGRVNJOIKP-HNNXBMFYSA-N 0 0 359.499 2.430 40 0 FEABRN C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2)C(=O)NC1CCCC1 ZINC000001346820 209388818 /nfs/dbraw/zinc/38/88/18/209388818.db2.gz UZDAJLKNSRKDQO-LLVKDONJSA-N 0 0 360.410 2.400 40 0 FEABRN CCn1c(COc2ccccc2OC)nnc1SCC(=O)N(C)C ZINC000000904624 209382094 /nfs/dbraw/zinc/38/20/94/209382094.db2.gz QZLGPNDGQOLNLW-UHFFFAOYSA-N 0 0 350.444 2.066 40 0 FEABRN CCOC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000000866347 209378330 /nfs/dbraw/zinc/37/83/30/209378330.db2.gz NDJZFHOVNXEJSL-UKRRQHHQSA-N 0 0 368.455 2.045 40 0 FEABRN Cc1c(Cl)cccc1N(CCCC(=O)N1CCOCC1)S(C)(=O)=O ZINC000113965737 209340628 /nfs/dbraw/zinc/34/06/28/209340628.db2.gz WPTKDIMYJXAWHW-UHFFFAOYSA-N 0 0 374.890 2.053 40 0 FEABRN COc1nn(C)cc1C(=O)N1CCC[C@@H](C(=O)NCCC2=CCCCC2)C1 ZINC000049030563 209334053 /nfs/dbraw/zinc/33/40/53/209334053.db2.gz SNMLSYZTJOQWME-MRXNPFEDSA-N 0 0 374.485 2.288 40 0 FEABRN Cc1cc(C(=O)N2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)c(C)o1 ZINC000108530313 209288434 /nfs/dbraw/zinc/28/84/34/209288434.db2.gz DKVGTTMYFNFCOO-OALUTQOASA-N 0 0 355.438 2.407 40 0 FEABRN COc1ccc(-c2noc(CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)n2)cc1 ZINC000100459017 209214606 /nfs/dbraw/zinc/21/46/06/209214606.db2.gz 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Cc1ccccc1C(=O)N1CCn2nnc(COCc3cccnc3)c2C1 ZINC000096256040 209145975 /nfs/dbraw/zinc/14/59/75/209145975.db2.gz CNTJQWQGCKZSRA-UHFFFAOYSA-N 0 0 363.421 2.354 40 0 FEABRN Cc1cccc(CN2CCOC[C@]3(CN(c4ccsc4)C(=O)CO3)C2)n1 ZINC000096240195 209142059 /nfs/dbraw/zinc/14/20/59/209142059.db2.gz SEETXTXXNFSDPA-LJQANCHMSA-N 0 0 373.478 2.086 40 0 FEABRN Cc1nc(CN2CCC[C@]3(C2)CN(C(=O)NC(C)C)CCO3)cs1 ZINC000096226707 209139872 /nfs/dbraw/zinc/13/98/72/209139872.db2.gz TZSCEFGDUNFSLO-KRWDZBQOSA-N 0 0 352.504 2.236 40 0 FEABRN O=C(Cc1ccc(F)cc1)N1C[C@@H](C(=O)N2CCCC2)C2(C1)CCOCC2 ZINC000096240922 209143393 /nfs/dbraw/zinc/14/33/93/209143393.db2.gz CTYGJZGFRDGFFA-SFHVURJKSA-N 0 0 374.456 2.246 40 0 FEABRN Cc1ccsc1C(=O)N1C[C@H](C(=O)NCC2CC2)C2(C1)CCOCC2 ZINC000096240839 209143456 /nfs/dbraw/zinc/14/34/56/209143456.db2.gz AWTJEVDBXKRZCL-OAHLLOKOSA-N 0 0 362.495 2.452 40 0 FEABRN Fc1cnc(N2CC[C@@]3(C2)COCc2cnc(-c4cccnc4)nc23)nc1 ZINC000096244260 209142778 /nfs/dbraw/zinc/14/27/78/209142778.db2.gz 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ZINC000096207133 209134434 /nfs/dbraw/zinc/13/44/34/209134434.db2.gz BDSJHMXVASGZCQ-HNNXBMFYSA-N 0 0 352.394 2.151 40 0 FEABRN O=C(c1ccc(F)cc1)N1CCC2(CC1)NC(=O)C[C@H]2c1ccncc1 ZINC000096199935 209133598 /nfs/dbraw/zinc/13/35/98/209133598.db2.gz JWPFBBOEVFFSIG-KRWDZBQOSA-N 0 0 353.397 2.499 40 0 FEABRN CCN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(C(=O)C1CC=CC1)CC2 ZINC000096199884 209133506 /nfs/dbraw/zinc/13/35/06/209133506.db2.gz DQVXMOLOSSCTCX-KRWDZBQOSA-N 0 0 356.470 2.083 40 0 FEABRN COc1cccc(CN2CC[C@@]3(CCN(c4ncc(C)cn4)C3)C2=O)c1 ZINC000096159802 209127660 /nfs/dbraw/zinc/12/76/60/209127660.db2.gz NBWSJDBBCHGKQH-FQEVSTJZSA-N 0 0 352.438 2.423 40 0 FEABRN Cc1oncc1C(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC000096159670 209128253 /nfs/dbraw/zinc/12/82/53/209128253.db2.gz VUCQOZDBRKHYDS-LJQANCHMSA-N 0 0 357.385 2.387 40 0 FEABRN O=C(c1cccnc1)N1CCC2(CCN(Cc3ccccn3)C2=O)CC1 ZINC000096157872 209126495 /nfs/dbraw/zinc/12/64/95/209126495.db2.gz KNMUFDBYMNFCIH-UHFFFAOYSA-N 0 0 350.422 2.132 40 0 FEABRN Cc1ccnc(OC[C@@]23CCO[C@@H]2CCN(C(=O)Cc2ccco2)C3)n1 ZINC000096110466 209114781 /nfs/dbraw/zinc/11/47/81/209114781.db2.gz DLWRAAMDQWGPNR-APWZRJJASA-N 0 0 357.410 2.007 40 0 FEABRN COC[C@@H]1COCCC12CCN(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000096106301 209113504 /nfs/dbraw/zinc/11/35/04/209113504.db2.gz AAUHBRWDIFUYON-MRXNPFEDSA-N 0 0 353.484 2.449 40 0 FEABRN O=C(COc1ccccc1)N1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC000096107658 209112689 /nfs/dbraw/zinc/11/26/89/209112689.db2.gz GYZCZUFQXJAQAP-PXNSSMCTSA-N 0 0 354.406 2.299 40 0 FEABRN CCCN(CC)C(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2cccnc2)C1 ZINC000306134977 206669239 /nfs/dbraw/zinc/66/92/39/206669239.db2.gz ODPHHAULNXWSCT-HXUWFJFHSA-N 0 0 369.469 2.168 40 0 FEABRN O=C(c1ccsc1)N1CC[C@@]2(C1)CCCN(C(=O)c1cnccn1)C2 ZINC000096071648 209106621 /nfs/dbraw/zinc/10/66/21/209106621.db2.gz ASVGSIAREQBIGW-SFHVURJKSA-N 0 0 356.451 2.307 40 0 FEABRN C[C@H](CO)Nc1nc(Nc2cc(F)ccc2F)cc(-c2ccncc2)n1 ZINC000328970319 206724910 /nfs/dbraw/zinc/72/49/10/206724910.db2.gz DIRJIDZNABOVTE-LLVKDONJSA-N 0 0 357.364 2.197 40 0 FEABRN Cc1ccc(C(=O)N2CC[C@@]3(CCN(Cc4ccccn4)C3=O)C2)cn1 ZINC000096063221 209105902 /nfs/dbraw/zinc/10/59/02/209105902.db2.gz FJCACTILOXXETD-FQEVSTJZSA-N 0 0 350.422 2.050 40 0 FEABRN CCN=C1N=C2N=NC=C(SCC(=O)c3ccccc3)N2[C@@H](NCC)N1 ZINC000004528822 207024796 /nfs/dbraw/zinc/02/47/96/207024796.db2.gz VRAAVQLTVOHHLQ-INIZCTEOSA-N 0 0 371.470 2.397 40 0 FEABRN O=C(N[C@]1(C(F)(F)F)NC(c2ccccc2)=NC1=O)c1ccc(F)cc1 ZINC000004577473 207029412 /nfs/dbraw/zinc/02/94/12/207029412.db2.gz RUVOWUNOEXTAMB-MRXNPFEDSA-N 0 0 365.286 2.391 40 0 FEABRN O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)NCc2ccc(F)cc2)C1 ZINC000004776335 207047686 /nfs/dbraw/zinc/04/76/86/207047686.db2.gz WHOURFSYHKBHBU-LSDHHAIUSA-N 0 0 357.454 2.481 40 0 FEABRN O=C(NCc1ccc(F)cc1)[C@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 ZINC000004986762 207069365 /nfs/dbraw/zinc/06/93/65/207069365.db2.gz ZRKSEOASSKFEFB-DLBZAZTESA-N 0 0 357.385 2.109 40 0 FEABRN CC[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C)cc1 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/nfs/dbraw/zinc/68/74/97/558687497.db2.gz FCALPQQWWULITB-UONOGXRCSA-N 0 0 356.488 2.445 40 0 FEABRN CCCNC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000408600677 558687983 /nfs/dbraw/zinc/68/79/83/558687983.db2.gz BXZQTZXDIBJBMF-UHFFFAOYSA-N 0 0 354.472 2.156 40 0 FEABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCCC2)cc1C ZINC000408622440 558688021 /nfs/dbraw/zinc/68/80/21/558688021.db2.gz NQBSJPZNOAMDFH-CQSZACIVSA-N 0 0 354.472 2.073 40 0 FEABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NC)Cc2ccccc2)cc1 ZINC000408625068 558688071 /nfs/dbraw/zinc/68/80/71/558688071.db2.gz VHMFRTAYZOPZHT-UHFFFAOYSA-N 0 0 362.451 2.022 40 0 FEABRN CCOC(=O)C1=C(C)N2C(=O)CSC2=N[C@H]1c1ccc2c(c1)OCO2 ZINC000408729511 558689389 /nfs/dbraw/zinc/68/93/89/558689389.db2.gz BXYGTTOVDPAOEY-HNNXBMFYSA-N 0 0 360.391 2.239 40 0 FEABRN O=c1/c(=C/c2ccccc2O)sc2nc3cc(Br)cnc3n12 ZINC000408721324 558689536 /nfs/dbraw/zinc/68/95/36/558689536.db2.gz OUJYFKZBSXPJRZ-XGICHPGQSA-N 0 0 374.219 2.320 40 0 FEABRN C[C@@]1(O)CCN(Cc2cncnc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000604383051 568287369 /nfs/dbraw/zinc/28/73/69/568287369.db2.gz AOSZFNZGINDLCY-IRFCIJBXSA-N 0 0 366.465 2.069 40 0 biogenic,in-vitro FEABRN COc1cc(Cl)cc2cc(C(=O)N[C@@H]3CCCC[C@@H](O)[C@@H]3O)oc21 ZINC000585267156 570482355 /nfs/dbraw/zinc/48/23/55/570482355.db2.gz BFDCXNDHCFOBOP-LALPHHSUSA-N 0 0 353.802 2.489 40 0 FEABRN O=C(CN1CCC[C@](O)(COc2ccccc2)C1)NCCc1ccccc1 ZINC000585274730 570487495 /nfs/dbraw/zinc/48/74/95/570487495.db2.gz YXPIDQMHTZERSB-JOCHJYFZSA-N 0 0 368.477 2.251 40 0 FEABRN CO[C@@H]1CN(C(=O)CCn2ccccc2=O)CC[C@@H]1Cc1ccccc1 ZINC000585280578 570492105 /nfs/dbraw/zinc/49/21/05/570492105.db2.gz KUJJUHOGRCAPIL-RTBURBONSA-N 0 0 354.450 2.345 40 0 FEABRN O=C(CCc1cccnc1)NC[C@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585284218 570492572 /nfs/dbraw/zinc/49/25/72/570492572.db2.gz GGAUITZGLNTYIU-XFQXTVEOSA-N 0 0 358.413 2.488 40 0 FEABRN Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](C(=O)NC3CCCC3)C2)c1 ZINC000575402454 570636818 /nfs/dbraw/zinc/63/68/18/570636818.db2.gz AOEYGEHPOISZMI-GOSISDBHSA-N 0 0 352.438 2.447 40 0 FEABRN CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C ZINC000409393141 570756499 /nfs/dbraw/zinc/75/64/99/570756499.db2.gz VOFOBMJMGYIYJB-AWEZNQCLSA-N 0 0 354.472 2.073 40 0 FEABRN CCCCCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccco3)N2N1 ZINC000588225746 570782084 /nfs/dbraw/zinc/78/20/84/570782084.db2.gz YPKZCAZENMMNGQ-KRWDZBQOSA-N 0 0 368.462 2.346 40 0 FEABRN CCCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc(C)s3)N2N1 ZINC000588226743 570782477 /nfs/dbraw/zinc/78/24/77/570782477.db2.gz XKPCIAJWOUVALR-INIZCTEOSA-N 0 0 370.503 2.343 40 0 FEABRN CC(C)C(NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)C(C)C ZINC000224907418 571004988 /nfs/dbraw/zinc/00/49/88/571004988.db2.gz ALBYEWVBXWAAJS-UHFFFAOYSA-N 0 0 356.488 2.258 40 0 FEABRN C[C@H](CO)Nc1nc(C2CC2)cc(N2CCc3cc([C@H](C)O)ccc3C2)n1 ZINC000329021705 571128499 /nfs/dbraw/zinc/12/84/99/571128499.db2.gz OHMOBRFLTKDPQV-KGLIPLIRSA-N 0 0 368.481 2.763 40 0 FEABRN Cc1ccc(S(=O)(=O)n2c(=O)oc3cc(Br)cnc32)cc1 ZINC000575423641 571150226 /nfs/dbraw/zinc/15/02/26/571150226.db2.gz PWCIZOYASWLIRJ-UHFFFAOYSA-N 0 0 369.196 2.297 40 0 FEABRN CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1C ZINC000575426071 571150558 /nfs/dbraw/zinc/15/05/58/571150558.db2.gz LVPKLJGSCOFGEH-CQSZACIVSA-N 0 0 365.904 2.236 40 0 FEABRN CN(C)C(=O)COCC[C@@H]1Cn2cccc2CN(Cc2nccs2)C1 ZINC000585095095 571219823 /nfs/dbraw/zinc/21/98/23/571219823.db2.gz FMIWJCIWKGOUES-HNNXBMFYSA-N 0 0 362.499 2.072 40 0 FEABRN C[C@@H]1c2ncc(CCOc3ccncc3)n2CCN1C(=O)c1cocn1 ZINC000585097970 571220842 /nfs/dbraw/zinc/22/08/42/571220842.db2.gz PVQXCKQGJVRONC-CYBMUJFWSA-N 0 0 353.382 2.105 40 0 FEABRN C[C@H]1c2ncc(CCOCc3ccncc3)n2CCN1Cc1cn[nH]c1 ZINC000585096794 571221152 /nfs/dbraw/zinc/22/11/52/571221152.db2.gz AUTVHROVHUICQO-HNNXBMFYSA-N 0 0 352.442 2.337 40 0 FEABRN Cc1ccc(CN2CC3(C2)OCC[C@@H]3CCNS(=O)(=O)C2CC2)s1 ZINC000585103374 571223551 /nfs/dbraw/zinc/22/35/51/571223551.db2.gz VDDAMHHDALMMES-AWEZNQCLSA-N 0 0 370.540 2.119 40 0 FEABRN O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cccs2)[C@@H]2CCO[C@@H]12 ZINC000585109258 571225402 /nfs/dbraw/zinc/22/54/02/571225402.db2.gz FJAGXKWGCMCEPB-NFAWXSAZSA-N 0 0 362.476 2.356 40 0 FEABRN CC(C)C[C@H](O)C(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 ZINC000585111414 571225597 /nfs/dbraw/zinc/22/55/97/571225597.db2.gz SUMHRPVOOVDJFM-ROUUACIJSA-N 0 0 357.454 2.068 40 0 FEABRN COc1ncccc1CN1Cc2ccnn2[C@H](COc2ccccn2)C1 ZINC000585111835 571225773 /nfs/dbraw/zinc/22/57/73/571225773.db2.gz HMXLEPXEJSPNPN-KRWDZBQOSA-N 0 0 351.410 2.318 40 0 FEABRN O=C(NCC[C@@H]1CN(Cc2ccco2)Cc2ccnn21)c1cscn1 ZINC000585112845 571226364 /nfs/dbraw/zinc/22/63/64/571226364.db2.gz XGKNCZHUCZUJSX-CYBMUJFWSA-N 0 0 357.439 2.310 40 0 FEABRN CCS(=O)(=O)NCC[C@@H]1CN(Cc2ccccc2C)Cc2ccnn21 ZINC000585112927 571226395 /nfs/dbraw/zinc/22/63/95/571226395.db2.gz YUPCCEINOWSZDY-GOSISDBHSA-N 0 0 362.499 2.078 40 0 FEABRN O=C(N[C@@H]1COc2ccccc2C1)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000678353999 571236969 /nfs/dbraw/zinc/23/69/69/571236969.db2.gz WOXYQTBHMPAGDE-KBPBESRZSA-N 0 0 372.371 2.438 40 0 FEABRN Cc1nc(-c2cc(C[C@H]3CCN(S(C)(=O)=O)C3)ncn2)sc1C ZINC000585179643 571238010 /nfs/dbraw/zinc/23/80/10/571238010.db2.gz ZQKNCOBBDMRCGX-GFCCVEGCSA-N 0 0 352.485 2.041 40 0 FEABRN CN(C)C(=O)c1sc2nccnc2c1[C@H]1CCN(Cc2cnccn2)C1 ZINC000585180158 571238117 /nfs/dbraw/zinc/23/81/17/571238117.db2.gz VVRVDPOVKCKEAF-LBPRGKRZSA-N 0 0 368.466 2.173 40 0 FEABRN CCOC(=O)CN1C(=O)S/C(=C/c2cccc(OC)c2OC)C1=O ZINC000205738243 571307489 /nfs/dbraw/zinc/30/74/89/571307489.db2.gz PEDLHGYPKRHSGE-XYOKQWHBSA-N 0 0 351.380 2.303 40 0 FEABRN CN(C)C(=O)c1nnc2sc(-c3ccccc3Br)nn21 ZINC000057354712 210209553 /nfs/dbraw/zinc/20/95/53/210209553.db2.gz BCKXBJVTAQSYGB-UHFFFAOYSA-N 0 0 352.217 2.317 40 0 FEABRN Cc1ccccc1CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 ZINC000005000187 539399715 /nfs/dbraw/zinc/39/97/15/539399715.db2.gz OHHPSTXNAUDYCV-RBUKOAKNSA-N 0 0 367.449 2.321 40 0 FEABRN CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(C)=O)c2)c1=O ZINC000004999903 539399786 /nfs/dbraw/zinc/39/97/86/539399786.db2.gz HAWRLFXICWHIRT-UHFFFAOYSA-N 0 0 365.389 2.024 40 0 FEABRN COCCCNC(=O)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000005060204 539401406 /nfs/dbraw/zinc/40/14/06/539401406.db2.gz BPBJTVYZSZRLIR-SFHVURJKSA-N 0 0 370.405 2.231 40 0 FEABRN CCC(=O)NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1 ZINC000006026100 539420975 /nfs/dbraw/zinc/42/09/75/539420975.db2.gz FBYZRYOKVPIJNB-UHFFFAOYSA-N 0 0 350.469 2.356 40 0 FEABRN COc1ccccc1Nc1nc(N)nc(N)c1S(=O)(=O)c1ccccc1 ZINC000006677876 539433654 /nfs/dbraw/zinc/43/36/54/539433654.db2.gz QBSJZQCEPVPFAX-UHFFFAOYSA-N 0 0 371.422 2.226 40 0 aggregator FEABRN C[C@@H](CO)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccnc2)n1 ZINC000329048484 210133993 /nfs/dbraw/zinc/13/39/93/210133993.db2.gz UKZDBCXHDDKDBD-LBPRGKRZSA-N 0 0 371.391 2.065 40 0 FEABRN Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000007248395 539452461 /nfs/dbraw/zinc/45/24/61/539452461.db2.gz SFPHZIHCWGFTJP-HNNXBMFYSA-N 0 0 359.513 2.137 40 0 FEABRN COc1cc(CNn2nnnc2N)ccc1OCc1cccc(Cl)c1 ZINC000007601192 539461753 /nfs/dbraw/zinc/46/17/53/539461753.db2.gz PUYCOJVQPLQGNO-UHFFFAOYSA-N 0 0 360.805 2.240 40 0 FEABRN OCCNc1nc(Nc2c(F)cccc2Cl)cc(-c2ccncc2)n1 ZINC000328991958 210128545 /nfs/dbraw/zinc/12/85/45/210128545.db2.gz ITRILVWVPRIFLM-UHFFFAOYSA-N 0 0 359.792 2.323 40 0 FEABRN COc1ccccc1CNc1cc(-c2ccccc2)nc(NCCO)n1 ZINC000328966508 210128039 /nfs/dbraw/zinc/12/80/39/210128039.db2.gz CLTJHZDFYZDJKY-UHFFFAOYSA-N 0 0 350.422 2.012 40 0 FEABRN COC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 ZINC000007928730 539471149 /nfs/dbraw/zinc/47/11/49/539471149.db2.gz NQZACVDMYZFHBA-AWEZNQCLSA-N 0 0 369.373 2.440 40 0 FEABRN COCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000008105453 539477462 /nfs/dbraw/zinc/47/74/62/539477462.db2.gz SXNVHDDPGOOVRJ-VQHVLOKHSA-N 0 0 368.389 2.443 40 0 FEABRN CC(C)(C)CC(=O)N[C@H]1C[C@H]2C(=O)Nc3cc(Cl)ccc3C(=O)N2C1 ZINC000008297895 539482431 /nfs/dbraw/zinc/48/24/31/539482431.db2.gz DIYUJGPVFYGOTO-FZMZJTMJSA-N 0 0 363.845 2.428 40 0 biogenic,in-vitro FEABRN Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)cc2)s1 ZINC000008474652 539486893 /nfs/dbraw/zinc/48/68/93/539486893.db2.gz IKACLXIUGBTJEC-UHFFFAOYSA-N 0 0 362.411 2.056 40 0 FEABRN Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)no1 ZINC000008433803 539487002 /nfs/dbraw/zinc/48/70/02/539487002.db2.gz BBAGKHKQLLRVOF-AWEZNQCLSA-N 0 0 371.393 2.135 40 0 FEABRN O=C(NCCO)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 ZINC000008476825 539487635 /nfs/dbraw/zinc/48/76/35/539487635.db2.gz IIJVENNSIVYGDT-UHFFFAOYSA-N 0 0 360.776 2.449 40 0 FEABRN COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NC(C)C ZINC000010008961 539510955 /nfs/dbraw/zinc/51/09/55/539510955.db2.gz ZULINDTVCJMPNA-UHFFFAOYSA-N 0 0 362.451 2.312 40 0 FEABRN COCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000010009580 539511104 /nfs/dbraw/zinc/51/11/04/539511104.db2.gz OWWSQZIMXSPGHE-UHFFFAOYSA-N 0 0 368.480 2.340 40 0 FEABRN CC[C@H](C)Oc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1OC ZINC000010130212 539513540 /nfs/dbraw/zinc/51/35/40/539513540.db2.gz XRCWADMRLREHST-QMMMGPOBSA-N 0 0 368.842 2.440 40 0 FEABRN COC(=O)c1cn(S(=O)(=O)c2ccc3c(c2)OCCO3)c2ccccc12 ZINC000222595853 222742123 /nfs/dbraw/zinc/74/21/23/222742123.db2.gz SJFIEAHFAWYCTC-UHFFFAOYSA-N 0 0 373.386 2.436 40 0 FEABRN COC(=O)c1ccccc1NC(=O)c1cccc(NS(C)(=O)=O)c1C ZINC000010357367 539515954 /nfs/dbraw/zinc/51/59/54/539515954.db2.gz DGKBWCOAVYKWAT-UHFFFAOYSA-N 0 0 362.407 2.405 40 0 FEABRN O=C(/C=C/c1ccc(Cl)cc1Cl)NCCNC(=O)c1cnccn1 ZINC000007871445 210092725 /nfs/dbraw/zinc/09/27/25/210092725.db2.gz RQEYPJIBGZJMCD-DUXPYHPUSA-N 0 0 365.220 2.343 40 0 FEABRN CN1CC[C@]2(C[C@@H](NC(=O)C3CCOCC3)c3ccccc3O2)CCC1=O ZINC000012086467 539542664 /nfs/dbraw/zinc/54/26/64/539542664.db2.gz JFZPKMGHEOMHDB-UTKZUKDTSA-N 0 0 372.465 2.434 40 0 FEABRN COC(=O)[C@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@@H]1c1ccc(F)cc1 ZINC000012116051 539543901 /nfs/dbraw/zinc/54/39/01/539543901.db2.gz 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