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393.487 3.120 40 0 GGABRN COc1cccc(OC)c1C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000408562603 231062841 /nfs/dbraw/zinc/06/28/41/231062841.db2.gz DBZCPMKJSPFJGU-UHFFFAOYSA-N 0 0 380.400 3.479 40 0 GGABRN O=C(Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21)Nc1ccc(F)cc1 ZINC000408566181 231063979 /nfs/dbraw/zinc/06/39/79/231063979.db2.gz DYHMRLIBCNQGRG-UHFFFAOYSA-N 0 0 393.418 3.224 40 0 GGABRN Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NC1CCCCCCC1 ZINC000408583541 231066462 /nfs/dbraw/zinc/06/64/62/231066462.db2.gz IFARZPDHPSBYOK-UHFFFAOYSA-N 0 0 396.553 3.290 40 0 GGABRN C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1 ZINC000408583617 231066612 /nfs/dbraw/zinc/06/66/12/231066612.db2.gz IRIRGEHGCOSXJV-MRXNPFEDSA-N 0 0 382.485 3.165 40 0 GGABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC(C)C)c(Cl)c2)cc1 ZINC000408582950 231067048 /nfs/dbraw/zinc/06/70/48/231067048.db2.gz GLKXJKWSRCBJMR-UHFFFAOYSA-N 0 0 396.896 3.353 40 0 GGABRN O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000408619047 231082368 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/nfs/dbraw/zinc/38/23/82/204382382.db2.gz DHKQPMLEVGJYMA-MRXNPFEDSA-N 0 0 382.807 3.199 40 0 GGABRN CC(=O)N1c2ccc(NC(=O)c3cc4c([nH]c3=O)CCCCC4)cc2C[C@@H]1C ZINC000012204516 204382427 /nfs/dbraw/zinc/38/24/27/204382427.db2.gz WLDHSMGCBRATHT-ZDUSSCGKSA-N 0 0 379.460 3.194 40 0 GGABRN CCc1nc(N2CCCC2)ncc1C(=O)Nc1ccc2c(c1)C[C@@H](C)N2C(C)=O ZINC000012204411 204382477 /nfs/dbraw/zinc/38/24/77/204382477.db2.gz RVBJZLCBIVHPBN-CQSZACIVSA-N 0 0 393.491 3.189 40 0 GGABRN Cc1cc2nc(CCC(=O)N3CCN(C4CCCCC4)C(=O)C3)[nH]c2cc1C ZINC000012205950 204382518 /nfs/dbraw/zinc/38/25/18/204382518.db2.gz BPVKERQJMVVZBC-UHFFFAOYSA-N 0 0 382.508 3.116 40 0 GGABRN C[C@@]1(C(=O)NCc2noc(-c3ccccc3)n2)CC(c2ccc(F)cc2)=NO1 ZINC000012202939 204382754 /nfs/dbraw/zinc/38/27/54/204382754.db2.gz FFELKQYEFPBYPJ-FQEVSTJZSA-N 0 0 380.379 3.075 40 0 GGABRN Cc1ccccc1Oc1ccc(CNC(=O)[C@H](C)N2C(=O)NC(C)(C)C2=O)cc1 ZINC000012205281 204382771 /nfs/dbraw/zinc/38/27/71/204382771.db2.gz GAIMQWOOIZMZOP-HNNXBMFYSA-N 0 0 395.459 3.122 40 0 GGABRN C[C@@]1(C(=O)NCc2noc(-c3ccccc3)n2)CC(c2ccccc2F)=NO1 ZINC000012202994 204382877 /nfs/dbraw/zinc/38/28/77/204382877.db2.gz VSJWIFNXCOGSAO-FQEVSTJZSA-N 0 0 380.379 3.075 40 0 GGABRN O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000012200087 204383011 /nfs/dbraw/zinc/38/30/11/204383011.db2.gz JQYQPTWOGGGLJG-UHFFFAOYSA-N 0 0 398.362 3.160 40 0 GGABRN COc1ccc(CC(=O)N[C@@H](CC(C)C)c2nc3cccnc3n2C)cc1OC ZINC000012220132 204383344 /nfs/dbraw/zinc/38/33/44/204383344.db2.gz MLFBRDFTXKERSZ-KRWDZBQOSA-N 0 0 396.491 3.432 40 0 GGABRN CC1(C)Cc2nc(N3CCCC3)ncc2[C@@H](NC(=O)COc2cccc(F)c2)C1 ZINC000012221030 204383402 /nfs/dbraw/zinc/38/34/02/204383402.db2.gz SPXMENXYLMWHFZ-SFHVURJKSA-N 0 0 398.482 3.425 40 0 GGABRN CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@@H]4CCCO4)C3)cc2n1 ZINC000012220422 204383420 /nfs/dbraw/zinc/38/34/20/204383420.db2.gz PPPHBDRTHRUBQN-DOMZBBRYSA-N 0 0 396.413 3.366 40 0 GGABRN CC(C)c1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4cnccn4)ncc32)no1 ZINC000012220462 204384057 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COc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)ccn1 ZINC000012238736 204386078 /nfs/dbraw/zinc/38/60/78/204386078.db2.gz PJQDFYJCVGLOQQ-GOSISDBHSA-N 0 0 389.459 3.386 40 0 GGABRN COc1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)ccn1 ZINC000012238740 204386713 /nfs/dbraw/zinc/38/67/13/204386713.db2.gz PJQDFYJCVGLOQQ-SFHVURJKSA-N 0 0 389.459 3.386 40 0 GGABRN CC(C)n1c2ccc(S(=O)(=O)NC3(c4ccc(F)cc4)CC3)cc2oc1=O ZINC000012240335 204386764 /nfs/dbraw/zinc/38/67/64/204386764.db2.gz PBWNKRBEEFHQGJ-UHFFFAOYSA-N 0 0 390.436 3.282 40 0 GGABRN CC[C@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)NC2CCCC2)C1=O ZINC000012241968 204386787 /nfs/dbraw/zinc/38/67/87/204386787.db2.gz OMECULOIDAVGDM-QGZVFWFLSA-N 0 0 396.443 3.073 40 0 GGABRN Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)NC1(c2ccc(F)cc2)CC1 ZINC000012240324 204386834 /nfs/dbraw/zinc/38/68/34/204386834.db2.gz ODDSTNQTDHZRKT-UHFFFAOYSA-N 0 0 388.464 3.229 40 0 GGABRN CC[C@@H]1Oc2ccc(C(=O)c3cccs3)cc2N(CC(=O)NC(C)C)C1=O ZINC000012242016 204386949 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CCOc1cc(CN2CCc3nc4c(C)csc4c(=O)n3CC2)ccc1OC ZINC000012275546 204387807 /nfs/dbraw/zinc/38/78/07/204387807.db2.gz RGZCYEHPYRHZKP-UHFFFAOYSA-N 0 0 399.516 3.232 40 0 GGABRN COc1cccc(OC)c1C[N@@H+]1CC[C@@H](c2cc3nc(C)c(C)c(=O)n3[n-]2)C1 ZINC000012255227 204387919 /nfs/dbraw/zinc/38/79/19/204387919.db2.gz UMFZTCNJUFDUMF-OAHLLOKOSA-N 0 0 382.464 3.058 40 0 GGABRN CCc1c(C)nc2cc([C@@H]3CC[N@H+](Cc4cc(OC)ccc4OC)C3)[n-]n2c1=O ZINC000012276368 204387965 /nfs/dbraw/zinc/38/79/65/204387965.db2.gz NCAUVDKRMIWZCQ-OAHLLOKOSA-N 0 0 396.491 3.312 40 0 GGABRN O=C(Cc1ccc(F)cc1)N1CCC(c2nc(-c3ccccn3)cc(=O)[nH]2)CC1 ZINC000012256407 204388098 /nfs/dbraw/zinc/38/80/98/204388098.db2.gz MAWPVNXMLCQADY-UHFFFAOYSA-N 0 0 392.434 3.332 40 0 GGABRN CCOc1ccc(O[C@@H](C)C(=O)Nc2nc3c(s2)CCc2c-3cnn2C)cc1 ZINC000012275876 204388128 /nfs/dbraw/zinc/38/81/28/204388128.db2.gz KMNRZBWUTYASBG-LBPRGKRZSA-N 0 0 398.488 3.447 40 0 GGABRN CCc1c(C)nc2cc([C@H]3CC[N@H+](Cc4ccc(OC)c(OC)c4)C3)[n-]n2c1=O ZINC000012276375 204388154 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COc1ccccc1[C@@]1(O)CCCN(C(=O)c2cc(=O)[nH]c3c(C)cccc23)C1 ZINC000012325459 204396996 /nfs/dbraw/zinc/39/69/96/204396996.db2.gz ASNPUFDBKOCFES-HSZRJFAPSA-N 0 0 392.455 3.381 40 0 GGABRN CCc1c(C)n(CC(=O)c2ccc(OC)cc2)c2nc3ccccc3n2c1=O ZINC000012321932 204397485 /nfs/dbraw/zinc/39/74/85/204397485.db2.gz CEPWVDVEYPDZGS-UHFFFAOYSA-N 0 0 375.428 3.412 40 0 GGABRN CCc1nc(N2CCCC2)ncc1C(=O)N(C)Cc1cccc2ncccc12 ZINC000012325624 204397964 /nfs/dbraw/zinc/39/79/64/204397964.db2.gz CQRQNDUEMKMBRH-UHFFFAOYSA-N 0 0 375.476 3.460 40 0 GGABRN CO[C@@H]1CCC[C@H](C(=O)NCCc2nc(C(C)C)ncc2-c2cc(C)no2)C1 ZINC000012337745 204398576 /nfs/dbraw/zinc/39/85/76/204398576.db2.gz SJKAEHYNLSSTLI-JKSUJKDBSA-N 0 0 386.496 3.427 40 0 GGABRN Cc1ccnn1CCNC(=O)Cn1c(-c2ccc(F)cc2)cc2cccnc21 ZINC000012669652 204434433 /nfs/dbraw/zinc/43/44/33/204434433.db2.gz VSTSPRULJJBDSU-UHFFFAOYSA-N 0 0 377.423 3.164 40 0 GGABRN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000012812312 204452724 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CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000020023656 204697230 /nfs/dbraw/zinc/69/72/30/204697230.db2.gz KDLNDJHULJGRIU-UHFFFAOYSA-N 0 0 382.432 3.223 40 0 GGABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2F)cc1 ZINC000020021239 204697355 /nfs/dbraw/zinc/69/73/55/204697355.db2.gz WEFLTKWHIPJHNL-UHFFFAOYSA-N 0 0 398.431 3.013 40 0 GGABRN O=C(N[C@H]1CCCc2ccccc21)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000020030125 204697623 /nfs/dbraw/zinc/69/76/23/204697623.db2.gz FBXHFNHWTOHWCN-INIZCTEOSA-N 0 0 379.485 3.442 40 0 GGABRN COc1ccc([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1OC ZINC000020029982 204697776 /nfs/dbraw/zinc/69/77/76/204697776.db2.gz KYESIGAMQWASBA-LLVKDONJSA-N 0 0 385.869 3.405 40 0 GGABRN Cc1cc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)ccc1N1CCCC1=O ZINC000020042280 204699031 /nfs/dbraw/zinc/69/90/31/204699031.db2.gz VUHOBKSFZHQIRG-UHFFFAOYSA-N 0 0 388.533 3.369 40 0 GGABRN Cc1ccc(CN(C)C(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 ZINC000020104907 204701243 /nfs/dbraw/zinc/70/12/43/204701243.db2.gz 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204757995 /nfs/dbraw/zinc/75/79/95/204757995.db2.gz BAMZIRLUSUMTRP-UHFFFAOYSA-N 0 0 379.489 3.133 40 0 GGABRN CCn1c(SCC(=O)c2ccc3c(c2)CCC(=O)N3)nnc1-c1ccco1 ZINC000021238460 204755611 /nfs/dbraw/zinc/75/56/11/204755611.db2.gz JSVJGUMDJVEBDQ-UHFFFAOYSA-N 0 0 382.445 3.418 40 0 GGABRN CCc1noc(-c2ccc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)cc2)n1 ZINC000021792501 204764541 /nfs/dbraw/zinc/76/45/41/204764541.db2.gz FHCHCLKMONAXIE-KRWDZBQOSA-N 0 0 390.443 3.286 40 0 GGABRN CCc1noc(-c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)n1 ZINC000021792195 204764634 /nfs/dbraw/zinc/76/46/34/204764634.db2.gz WDBMVHUWIBLIHU-CQSZACIVSA-N 0 0 376.416 3.291 40 0 GGABRN Cc1ccc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000022226939 204775867 /nfs/dbraw/zinc/77/58/67/204775867.db2.gz YELXMZJQFGOKKZ-UHFFFAOYSA-N 0 0 386.517 3.142 40 0 GGABRN CCn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)c2ccccc21 ZINC000022234454 204777192 /nfs/dbraw/zinc/77/71/92/204777192.db2.gz UPUPWWHXRWJGQL-UHFFFAOYSA-N 0 0 379.435 3.123 40 0 GGABRN CCOC(=O)c1ccc(NC(=O)c2cn(CC)c3ccc(OC)cc3c2=O)cc1 ZINC000022235867 204777659 /nfs/dbraw/zinc/77/76/59/204777659.db2.gz YJBMSVIAXUQYGQ-UHFFFAOYSA-N 0 0 394.427 3.459 40 0 GGABRN CCOc1ccc2c(c1)c(=O)c(C(=O)N[C@H](C)c1ccc(OC)cc1)cn2C ZINC000022237426 204777725 /nfs/dbraw/zinc/77/77/25/204777725.db2.gz HBTPXUPYXKEELJ-CQSZACIVSA-N 0 0 380.444 3.437 40 0 GGABRN CC[C@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000022335433 204778904 /nfs/dbraw/zinc/77/89/04/204778904.db2.gz OIUOTRLNBCMWAW-SFHVURJKSA-N 0 0 392.496 3.476 40 0 GGABRN CCOc1cccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)c1 ZINC000022379532 204779517 /nfs/dbraw/zinc/77/95/17/204779517.db2.gz NDDSOELPFSXTFN-UHFFFAOYSA-N 0 0 376.478 3.107 40 0 GGABRN CCCOc1ccc(N(CC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)cc1 ZINC000022389819 204779732 /nfs/dbraw/zinc/77/97/32/204779732.db2.gz VLLFHOCSHUTICK-UHFFFAOYSA-N 0 0 398.431 3.158 40 0 GGABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1 ZINC000022513007 204781205 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ZINC000038833377 205038249 /nfs/dbraw/zinc/03/82/49/205038249.db2.gz SSXYARRLMITTGY-QGZVFWFLSA-N 0 0 394.880 3.123 40 0 GGABRN Cc1cccc(C)c1N(CC(=O)N[C@H](C)c1ccc(F)cc1)S(C)(=O)=O ZINC000038757140 205039035 /nfs/dbraw/zinc/03/90/35/205039035.db2.gz JEFMWIQWXVDPDF-OAHLLOKOSA-N 0 0 378.469 3.086 40 0 GGABRN CCc1nn2c(nnc3c2ccn(-c2ccncc2)c3=O)c1-c1ccc(OC)cc1 ZINC000038828527 205039066 /nfs/dbraw/zinc/03/90/66/205039066.db2.gz WMFSUCCREBKEIE-UHFFFAOYSA-N 0 0 398.426 3.061 40 0 GGABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)/C=C/c1ccc(C)cc1 ZINC000038756946 205039130 /nfs/dbraw/zinc/03/91/30/205039130.db2.gz FTDHWEOUDLTEOY-FMIVXFBMSA-N 0 0 388.489 3.342 40 0 GGABRN O=C(C[C@H]1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 ZINC000039964139 205043752 /nfs/dbraw/zinc/04/37/52/205043752.db2.gz YPVPNKLGQAGYSX-KRWDZBQOSA-N 0 0 382.370 3.393 40 0 GGABRN CCN(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000039985296 205043940 /nfs/dbraw/zinc/04/39/40/205043940.db2.gz OABGXLJVLJCYNH-UHFFFAOYSA-N 0 0 386.395 3.355 40 0 GGABRN CCOc1ccccc1/C=c1/sc2nc(/C=C/c3ccc(F)cc3)nn2c1=O ZINC000039835501 205044426 /nfs/dbraw/zinc/04/44/26/205044426.db2.gz FKFQCTCJNAZZED-HEMGCLFMSA-N 0 0 393.443 3.407 40 0 GGABRN COCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)n2c3ccccc3nc21 ZINC000039963971 205044431 /nfs/dbraw/zinc/04/44/31/205044431.db2.gz KEMDGOSBIDTRJL-IBGZPJMESA-N 0 0 392.459 3.216 40 0 GGABRN CCN(CC(=O)NCCC(C)C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000039985281 205044616 /nfs/dbraw/zinc/04/46/16/205044616.db2.gz PNPLKLTXZHZCMM-UHFFFAOYSA-N 0 0 381.325 3.166 40 0 GGABRN CCn1c2nnc(COc3ccc(Cl)cc3C(C)=O)n2c2ccccc2c1=O ZINC000040023341 205045340 /nfs/dbraw/zinc/04/53/40/205045340.db2.gz MWCCNQQZWONRPQ-UHFFFAOYSA-N 0 0 396.834 3.499 40 0 GGABRN CCN(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1cc(C)ccc1OC ZINC000039985485 205045459 /nfs/dbraw/zinc/04/54/59/205045459.db2.gz RPDZEWHCSRLAAM-UHFFFAOYSA-N 0 0 390.505 3.270 40 0 GGABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc(C)c2)cc1 ZINC000039986100 205045634 /nfs/dbraw/zinc/04/56/34/205045634.db2.gz XWSFUDBPFHMJGE-UHFFFAOYSA-N 0 0 376.478 3.043 40 0 GGABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc(C)c2)cc1C ZINC000039986172 205045729 /nfs/dbraw/zinc/04/57/29/205045729.db2.gz JANJICWSAPUWSW-UHFFFAOYSA-N 0 0 390.505 3.351 40 0 GGABRN CCN(CC(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1cc(C)ccc1OC ZINC000039985493 205045848 /nfs/dbraw/zinc/04/58/48/205045848.db2.gz LQNZBOURSCJMSW-UHFFFAOYSA-N 0 0 390.505 3.270 40 0 GGABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000039986106 205046046 /nfs/dbraw/zinc/04/60/46/205046046.db2.gz PWBILFSHSLNIDY-UHFFFAOYSA-N 0 0 390.505 3.351 40 0 GGABRN O=C(Nn1cnc2ccccc21)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000040019981 205046320 /nfs/dbraw/zinc/04/63/20/205046320.db2.gz GXTXBPQVFHBKSD-UHFFFAOYSA-N 0 0 378.819 3.284 40 0 GGABRN O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NCc1nnc2n1CCCCC2 ZINC000040043344 205047657 /nfs/dbraw/zinc/04/76/57/205047657.db2.gz MOVNZUXQNSOQGM-JXMROGBWSA-N 0 0 380.370 3.233 40 0 GGABRN CN(C)C(=O)Sc1ccc(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1 ZINC000079054738 205050170 /nfs/dbraw/zinc/05/01/70/205050170.db2.gz JPEXJFSEYCLOII-KRWDZBQOSA-N 0 0 383.473 3.123 40 0 GGABRN Cc1ccc2c(c1)c(=O)n(C)c1nnc(CSc3nc4ccccc4[nH]3)n12 ZINC000040114161 205054288 /nfs/dbraw/zinc/05/42/88/205054288.db2.gz VCWYQTCSHCMCMC-UHFFFAOYSA-N 0 0 376.445 3.058 40 0 GGABRN Cc1nc2nc(S[C@H](C)C(=O)Nc3cc(F)ccc3F)nn2c(C)c1C ZINC000040119206 205054456 /nfs/dbraw/zinc/05/44/56/205054456.db2.gz CCKTZUVFTYGPNN-LLVKDONJSA-N 0 0 377.420 3.447 40 0 GGABRN CCn1c(=O)[nH]c2cc(C(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)ccc2c1=O ZINC000040146608 205058150 /nfs/dbraw/zinc/05/81/50/205058150.db2.gz PANQHLFKVTXFJG-TWLOVUBOSA-N 0 0 395.503 3.044 40 0 GGABRN Cc1ccc(SCC(=O)N2c3ccccc3C(=O)N3CCC[C@H]3C2=O)cc1 ZINC000040386203 205062084 /nfs/dbraw/zinc/06/20/84/205062084.db2.gz KCFXWCGGNILKRO-SFHVURJKSA-N 0 0 380.469 3.265 40 0 GGABRN C[C@H]1Cc2ccccc2N1c1nc(N)c(C(=S)Nc2ccccc2)c(=O)[nH]1 ZINC000040385597 205062358 /nfs/dbraw/zinc/06/23/58/205062358.db2.gz DBWKMIOILTUOML-LBPRGKRZSA-N 0 0 377.473 3.222 40 0 GGABRN Nc1nc(N2CCCC2)[nH]c(=O)c1C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000040385669 205063124 /nfs/dbraw/zinc/06/31/24/205063124.db2.gz OWMDBTNAWPOMGZ-UHFFFAOYSA-N 0 0 384.292 3.047 40 0 GGABRN CCOC(=O)c1c(C)nn2c1ncc1c2ccn(-c2cc(C)cc(C)c2)c1=O ZINC000040397925 205063486 /nfs/dbraw/zinc/06/34/86/205063486.db2.gz BECRVUCNFCTJII-UHFFFAOYSA-N 0 0 376.416 3.135 40 0 GGABRN Cc1nn2c(ncc3c2ccn(NC(=O)C(C)C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397713 205064028 /nfs/dbraw/zinc/06/40/28/205064028.db2.gz RMXNBMRLQVHYJZ-UHFFFAOYSA-N 0 0 395.850 3.399 40 0 GGABRN O=c1c2c(ccn1Cc1ccccc1F)nc1ncnn1c2-c1ccc(F)cc1 ZINC000040398327 205064429 /nfs/dbraw/zinc/06/44/29/205064429.db2.gz MKZZGCPSYVIDAZ-UHFFFAOYSA-N 0 0 389.365 3.433 40 0 GGABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(C)c(C)c1 ZINC000040625574 205067014 /nfs/dbraw/zinc/06/70/14/205067014.db2.gz XSBNSHAVAIAJKA-UHFFFAOYSA-N 0 0 388.489 3.349 40 0 GGABRN Cc1nc(C2(NS(=O)(=O)c3ccccc3C(F)(F)F)CCCC2)no1 ZINC000041628998 205079687 /nfs/dbraw/zinc/07/96/87/205079687.db2.gz AVLGOAUJTDYOME-UHFFFAOYSA-N 0 0 375.372 3.145 40 0 GGABRN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC(C)(C)CC(C)(C)C)CC1 ZINC000042705294 205080872 /nfs/dbraw/zinc/08/08/72/205080872.db2.gz MRUDVJUSIIPMGE-UHFFFAOYSA-N 0 0 399.557 3.023 40 0 GGABRN C[C@@H](NC(=O)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000043273423 205081556 /nfs/dbraw/zinc/08/15/56/205081556.db2.gz RSYWCCWYJUZASB-OLZOCXBDSA-N 0 0 379.457 3.319 40 0 GGABRN CC(C)c1cc2cccnc2n1CCc1noc(CN2C[C@H](C)O[C@@H](C)C2)n1 ZINC000043286296 205083148 /nfs/dbraw/zinc/08/31/48/205083148.db2.gz DSEMHIYJADKJFG-HOTGVXAUSA-N 0 0 383.496 3.395 40 0 GGABRN CS(=O)(=O)Nc1ccc(C(=O)NCCCc2ccc(F)cc2)c(Cl)c1 ZINC000044842724 205085894 /nfs/dbraw/zinc/08/58/94/205085894.db2.gz OJCKEJHXUZDYIR-UHFFFAOYSA-N 0 0 384.860 3.213 40 0 GGABRN O=c1c2cc(Cl)cc(Cl)c2ncn1C[C@@H](O)COc1ccc(F)cc1 ZINC000045872986 205099006 /nfs/dbraw/zinc/09/90/06/205099006.db2.gz OSQWCJDASWLGAG-GFCCVEGCSA-N 0 0 383.206 3.282 40 0 GGABRN CCOc1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 ZINC000044847269 205087427 /nfs/dbraw/zinc/08/74/27/205087427.db2.gz FWIUPXAARKXVON-UHFFFAOYSA-N 0 0 382.869 3.040 40 0 GGABRN COc1ccc(CCCNC(=O)c2ccc(Cn3ccnc3)cc2)cc1OC ZINC000044851799 205087510 /nfs/dbraw/zinc/08/75/10/205087510.db2.gz UNVUFTJHLYDCQA-UHFFFAOYSA-N 0 0 379.460 3.311 40 0 GGABRN CCOCCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044883329 205087657 /nfs/dbraw/zinc/08/76/57/205087657.db2.gz XXOBIRYLJDIGLF-UHFFFAOYSA-N 0 0 396.896 3.297 40 0 GGABRN CCSc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 ZINC000044883587 205087908 /nfs/dbraw/zinc/08/79/08/205087908.db2.gz JIFRKQKRGNXBTJ-UHFFFAOYSA-N 0 0 393.534 3.294 40 0 GGABRN COc1ccccc1CCCNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000044845899 205088004 /nfs/dbraw/zinc/08/80/04/205088004.db2.gz BGFVQPFCQVCPMK-UHFFFAOYSA-N 0 0 396.896 3.083 40 0 GGABRN Cc1nccn1Cc1ccc(C(=O)NCc2cccc(N3CCCC3=O)c2)cc1 ZINC000044853333 205088483 /nfs/dbraw/zinc/08/84/83/205088483.db2.gz ZODQYNRBFNWIGQ-UHFFFAOYSA-N 0 0 388.471 3.297 40 0 GGABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSc1ccc(OC)cc1 ZINC000044880138 205088591 /nfs/dbraw/zinc/08/85/91/205088591.db2.gz YOGVYGJEQOZBDB-UHFFFAOYSA-N 0 0 391.445 3.230 40 0 GGABRN CC(C)Oc1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 ZINC000044902283 205088910 /nfs/dbraw/zinc/08/89/10/205088910.db2.gz PDVKWCQKPPWTAD-UHFFFAOYSA-N 0 0 396.896 3.429 40 0 GGABRN COc1cc(CNC(=O)c2ccc(CN3CCOCC3)cc2)ccc1OC(C)C ZINC000044905314 205089156 /nfs/dbraw/zinc/08/91/56/205089156.db2.gz DTZFYXKSSFZYOC-UHFFFAOYSA-N 0 0 398.503 3.245 40 0 GGABRN CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1 ZINC000044899710 205089290 /nfs/dbraw/zinc/08/92/90/205089290.db2.gz NQTWULBZFRBMID-UHFFFAOYSA-N 0 0 376.478 3.165 40 0 GGABRN CC(C)Oc1cccc(CNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1 ZINC000044903884 205089333 /nfs/dbraw/zinc/08/93/33/205089333.db2.gz SYVWQEHSNLLDTA-UHFFFAOYSA-N 0 0 396.896 3.429 40 0 GGABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000044900320 205089464 /nfs/dbraw/zinc/08/94/64/205089464.db2.gz FAWGWRJSHPLTEC-AWEZNQCLSA-N 0 0 380.897 3.292 40 0 GGABRN O=c1c2cc(Cl)cc(Cl)c2ncn1C[C@H](O)COc1ccc(F)cc1 ZINC000045872987 205099229 /nfs/dbraw/zinc/09/92/29/205099229.db2.gz OSQWCJDASWLGAG-LBPRGKRZSA-N 0 0 383.206 3.282 40 0 GGABRN Cc1ccc([C@H](C)NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000045365424 205095675 /nfs/dbraw/zinc/09/56/75/205095675.db2.gz WJXRNBOVSIEWLS-AWEZNQCLSA-N 0 0 380.897 3.292 40 0 GGABRN C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000045561241 205097226 /nfs/dbraw/zinc/09/72/26/205097226.db2.gz RBFLUPIJGSMOKF-INIZCTEOSA-N 0 0 395.434 3.295 40 0 GGABRN O=C(NCc1cc(=O)n2nc(-c3ccccc3)sc2n1)c1ccccc1Cl ZINC000041089830 205076566 /nfs/dbraw/zinc/07/65/66/205076566.db2.gz FUDBAACCOWWZMW-UHFFFAOYSA-N 0 0 396.859 3.401 40 0 GGABRN Cc1ccc(-c2nn3c(nc(CNC(=O)c4ccc(F)cc4)cc3=O)s2)cc1 ZINC000041089844 205076777 /nfs/dbraw/zinc/07/67/77/205076777.db2.gz WXWISAWSNFBVSW-UHFFFAOYSA-N 0 0 394.431 3.196 40 0 GGABRN COc1ccc(-c2nnc3sc(NC(=O)COc4cccc(C)c4)nn32)cc1 ZINC000041076465 205077035 /nfs/dbraw/zinc/07/70/35/205077035.db2.gz UZWIQXSVADTZLR-UHFFFAOYSA-N 0 0 395.444 3.187 40 0 GGABRN COc1cccc(-c2noc(CNS(=O)(=O)Cc3ccccc3Cl)n2)c1 ZINC000041153711 205078009 /nfs/dbraw/zinc/07/80/09/205078009.db2.gz QXYDJBWVUBWKES-UHFFFAOYSA-N 0 0 393.852 3.018 40 0 GGABRN Cc1ccc(C)c(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)c1 ZINC000041154018 205078041 /nfs/dbraw/zinc/07/80/41/205078041.db2.gz LHSDMUWBLHIYLZ-UHFFFAOYSA-N 0 0 377.853 3.485 40 0 GGABRN COc1cc(C)c(S(=O)(=O)NCc2nc(-c3cccc(C)c3)no2)cc1C ZINC000041152817 205078185 /nfs/dbraw/zinc/07/81/85/205078185.db2.gz QTRRFBNNVGOQEO-UHFFFAOYSA-N 0 0 387.461 3.149 40 0 GGABRN O=C(NCCSC1CCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000046450272 205106621 /nfs/dbraw/zinc/10/66/21/205106621.db2.gz FALFEYUSLHZRRP-UHFFFAOYSA-N 0 0 396.578 3.267 40 0 GGABRN CCOc1cc(F)ccc1NC(=O)CCNS(=O)(=O)c1cc(C)ccc1C ZINC000046520202 205107208 /nfs/dbraw/zinc/10/72/08/205107208.db2.gz XQXDIOGNQQGYMO-UHFFFAOYSA-N 0 0 394.468 3.148 40 0 GGABRN Cc1ccc(NC(=O)C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)nc1 ZINC000046808362 205108121 /nfs/dbraw/zinc/10/81/21/205108121.db2.gz CTBKNWALXMZWED-UHFFFAOYSA-N 0 0 376.460 3.291 40 0 GGABRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c(C)c1 ZINC000047462223 205109238 /nfs/dbraw/zinc/10/92/38/205109238.db2.gz CCFMJLADYCZTED-AWEZNQCLSA-N 0 0 377.462 3.123 40 0 GGABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000047227485 205109723 /nfs/dbraw/zinc/10/97/23/205109723.db2.gz AJMFLGMIMFSSPY-MRXNPFEDSA-N 0 0 388.895 3.256 40 0 GGABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cc3c(cccc3F)s2)cc1 ZINC000047173547 205109753 /nfs/dbraw/zinc/10/97/53/205109753.db2.gz JIUFGKIOBRDHCR-UHFFFAOYSA-N 0 0 392.477 3.221 40 0 GGABRN Cc1ccc(OCCCC(=O)NCc2cccc(CN3CCOCC3)c2)cc1 ZINC000047227452 205109827 /nfs/dbraw/zinc/10/98/27/205109827.db2.gz KNKTXWLSGQPLFC-UHFFFAOYSA-N 0 0 382.504 3.303 40 0 GGABRN COc1cc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)cc(OC)c1OC ZINC000047318181 205109962 /nfs/dbraw/zinc/10/99/62/205109962.db2.gz OKMCFQDDRSXWMV-UHFFFAOYSA-N 0 0 395.415 3.023 40 0 GGABRN Cc1cccc(CSCC(=O)NCc2cccc(CN3CCOCC3)c2)c1 ZINC000047276302 205110308 /nfs/dbraw/zinc/11/03/08/205110308.db2.gz FCJKJFZHVXSCDS-UHFFFAOYSA-N 0 0 384.545 3.377 40 0 GGABRN O=C(c1cccc(S(=O)(=O)NC2CCCC2)c1)N(Cc1ccncc1)C1CC1 ZINC000047841015 205111515 /nfs/dbraw/zinc/11/15/15/205111515.db2.gz YKBUHHKPJZQOQZ-UHFFFAOYSA-N 0 0 399.516 3.107 40 0 GGABRN CCCCN(C)S(=O)(=O)NCc1ccnc(Oc2ccc(OCC)cc2)c1 ZINC000048309218 205118427 /nfs/dbraw/zinc/11/84/27/205118427.db2.gz MAEYMMQBOKFICW-UHFFFAOYSA-N 0 0 393.509 3.339 40 0 GGABRN NC(=O)C1CCN(C(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000045973021 205100513 /nfs/dbraw/zinc/10/05/13/205100513.db2.gz NYMVOKBJETUASN-UHFFFAOYSA-N 0 0 392.381 3.182 40 0 GGABRN COc1ccc(OC)c2c1CN(CC(=O)c1c(C)[nH]c3ccccc31)C[C@H]2O ZINC000052774854 205132994 /nfs/dbraw/zinc/13/29/94/205132994.db2.gz VHAZPYMHQKCMCZ-GOSISDBHSA-N 0 0 380.444 3.225 40 0 GGABRN O=C(Nc1ccccc1C(=O)N1CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000051529454 205133926 /nfs/dbraw/zinc/13/39/26/205133926.db2.gz WLURDJKFZVYYKT-UHFFFAOYSA-N 0 0 377.444 3.302 40 0 GGABRN COc1cc(CNC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)ccc1O ZINC000052639098 205133980 /nfs/dbraw/zinc/13/39/80/205133980.db2.gz WPUGFIIZKAOXKD-UHFFFAOYSA-N 0 0 399.397 3.283 40 0 GGABRN C[C@]1(c2cccc(NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)c2)NC(=O)NC1=O ZINC000053284674 205134355 /nfs/dbraw/zinc/13/43/55/205134355.db2.gz JDTUFSKXSBVGHR-YOIRWDDOSA-N 0 0 383.370 3.048 40 0 GGABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1NC(C)=O ZINC000053698115 205138310 /nfs/dbraw/zinc/13/83/10/205138310.db2.gz BPJYHVMFTFRGIJ-ZDUSSCGKSA-N 0 0 388.489 3.182 40 0 GGABRN Cc1cc(S(=O)(=O)N2CCCC2)c(Br)cc1Br ZINC000054362974 205139441 /nfs/dbraw/zinc/13/94/41/205139441.db2.gz GICLZXQGHFNFJN-UHFFFAOYSA-N 0 0 383.105 3.305 40 0 GGABRN CS(=O)(=O)Nc1ccc(C(=O)NCCOc2cccc3ccccc32)cc1 ZINC000054591848 205140001 /nfs/dbraw/zinc/14/00/01/205140001.db2.gz FAMCMJLKWPEQLI-UHFFFAOYSA-N 0 0 384.457 3.020 40 0 GGABRN CC(C)Cc1csc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)[nH]c(=O)c12 ZINC000054752729 205140988 /nfs/dbraw/zinc/14/09/88/205140988.db2.gz AVIQZJNMVXCKPW-UHFFFAOYSA-N 0 0 391.518 3.100 40 0 GGABRN CC(C)S(=O)(=O)CC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000055033838 205141705 /nfs/dbraw/zinc/14/17/05/205141705.db2.gz UJYWJMYEMSYHRQ-QGDMRXHLSA-N 0 0 383.513 3.223 40 0 GGABRN CCOc1ccccc1CN(C)S(=O)(=O)c1cc(C(=O)OC)ccc1C ZINC000055268851 205144543 /nfs/dbraw/zinc/14/45/43/205144543.db2.gz XNDZOINUTRAZER-UHFFFAOYSA-N 0 0 377.462 3.001 40 0 GGABRN CN(c1ccccc1C(=O)NCCOc1ccc2ccccc2c1)S(C)(=O)=O ZINC000055433326 205149026 /nfs/dbraw/zinc/14/90/26/205149026.db2.gz ORTURHGKDCSSJF-UHFFFAOYSA-N 0 0 398.484 3.044 40 0 GGABRN CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000055555716 205149107 /nfs/dbraw/zinc/14/91/07/205149107.db2.gz 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ZINC000090609696 205275215 /nfs/dbraw/zinc/27/52/15/205275215.db2.gz NZAPVUMOWINVJS-AWEZNQCLSA-N 0 0 385.489 3.104 40 0 GGABRN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CSc2nc(C(C)(C)C)cc(=O)n2C1 ZINC000090609684 205275536 /nfs/dbraw/zinc/27/55/36/205275536.db2.gz QHCOPWFKVKFRLE-WBVHZDCISA-N 0 0 399.560 3.400 40 0 GGABRN O=C(NCCc1ccc(-n2cccn2)cc1)c1cnn(-c2ccccc2F)c1 ZINC000069812679 205276004 /nfs/dbraw/zinc/27/60/04/205276004.db2.gz RZIIWUWTVZKWOQ-UHFFFAOYSA-N 0 0 375.407 3.170 40 0 GGABRN COc1ccc(C2(C(=O)NCC[C@@H](O)c3cc(C)oc3C)CCOCC2)cc1 ZINC000090613424 205276531 /nfs/dbraw/zinc/27/65/31/205276531.db2.gz UXJTWROPQAXSEL-HXUWFJFHSA-N 0 0 387.476 3.193 40 0 GGABRN Nc1cc(-c2c[nH]nc2[C@H]2CCCN2C(=O)NCCc2ccccc2)ccn1 ZINC000072360793 205333934 /nfs/dbraw/zinc/33/39/34/205333934.db2.gz DZKAENVQFCOHTC-GOSISDBHSA-N 0 0 376.464 3.143 40 0 GGABRN CC[C@H](Cn1nc(-c2ccoc2C)oc1=O)NC(=O)C1(c2ccccc2)CC1 ZINC000072324242 205325042 /nfs/dbraw/zinc/32/50/42/205325042.db2.gz AZRKHLAXFPTVGF-MRXNPFEDSA-N 0 0 381.432 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CCc1nn(CC(=O)N[C@H](C)CCc2ccco2)c(=O)c2cc3ccsc3n21 ZINC000072335250 205327736 /nfs/dbraw/zinc/32/77/36/205327736.db2.gz BKHQZKINTPXRRS-CYBMUJFWSA-N 0 0 398.488 3.004 40 0 GGABRN O=C(NCc1ccccc1F)[C@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 ZINC000072339040 205328208 /nfs/dbraw/zinc/32/82/08/205328208.db2.gz HQYUEELUCKICAH-LDMYIKCASA-N 0 0 394.446 3.397 40 0 GGABRN C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCc1ccccn1)[C@@]1(C2)NC(=O)c2ccccc2O1 ZINC000072339077 205328273 /nfs/dbraw/zinc/32/82/73/205328273.db2.gz XZABGUSMFQTXCC-QRFZFNIYSA-N 0 0 391.471 3.043 40 0 GGABRN CCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)C2CC2)CC1 ZINC000072345241 205328949 /nfs/dbraw/zinc/32/89/49/205328949.db2.gz OTHKYQQLZRIHAM-UHFFFAOYSA-N 0 0 391.515 3.446 40 0 GGABRN COCCOc1ccc(CN2C[C@H]3ON=C(c4cccc(C)c4)[C@@H]3C2)cc1OC ZINC000072343250 205329160 /nfs/dbraw/zinc/32/91/60/205329160.db2.gz HGGYUNVZPIKDOY-DENIHFKCSA-N 0 0 396.487 3.264 40 0 GGABRN Cn1ccnc1C(=O)N1CCC[C@@H](c2nc(N)ncc2-c2ccc(Cl)cc2)C1 ZINC000072346219 205329176 /nfs/dbraw/zinc/32/91/76/205329176.db2.gz AQHKVYRNKZLQSM-CQSZACIVSA-N 0 0 396.882 3.133 40 0 GGABRN O=S(=O)(c1ccc(Cl)s1)N1C[C@@H]2CCC[C@](O)(c3cccnc3)[C@H]2C1 ZINC000072342987 205329179 /nfs/dbraw/zinc/32/91/79/205329179.db2.gz NZODCKVGDMWZBI-JDFRZJQESA-N 0 0 398.937 3.105 40 0 GGABRN COc1ccc(-c2nnc3c4nnn(Cc5ccc(F)cc5)c4nc(C)n32)cc1 ZINC000072342241 205329399 /nfs/dbraw/zinc/32/93/99/205329399.db2.gz LHRJHJYAGRXURV-UHFFFAOYSA-N 0 0 389.394 3.040 40 0 GGABRN NC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000072345182 205329489 /nfs/dbraw/zinc/32/94/89/205329489.db2.gz HHJSVQXZVCSWQL-SFHVURJKSA-N 0 0 398.528 3.231 40 0 GGABRN Cc1cc(C(F)F)n2ncc(C(=O)N3CCC(C(=O)c4ccco4)CC3)c2n1 ZINC000072346699 205329580 /nfs/dbraw/zinc/32/95/80/205329580.db2.gz RDJKKSBEBNQBRZ-UHFFFAOYSA-N 0 0 388.374 3.303 40 0 GGABRN Cn1cc(C(=O)N2CCC[C@@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)cn1 ZINC000072346193 205329611 /nfs/dbraw/zinc/32/96/11/205329611.db2.gz RVFKXDJUEOJYSG-CQSZACIVSA-N 0 0 396.882 3.133 40 0 GGABRN COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(C(=O)c3cccnc3)C2)cc1 ZINC000072346023 205329931 /nfs/dbraw/zinc/32/99/31/205329931.db2.gz PRSWDIMJBCAEBZ-KRWDZBQOSA-N 0 0 389.459 3.149 40 0 GGABRN COCCNC(=O)C1(Cc2cccc(-c3cccc(OC)c3)c2)CCOCC1 ZINC000072345654 205329935 /nfs/dbraw/zinc/32/99/35/205329935.db2.gz MVSYUILNWXGUIX-UHFFFAOYSA-N 0 0 383.488 3.464 40 0 GGABRN COc1cccc(Cc2cccc(C3CCN(C(=O)c4cnccn4)CC3)n2)c1 ZINC000072349218 205330320 /nfs/dbraw/zinc/33/03/20/205330320.db2.gz ACYQRUHAXDLRAI-UHFFFAOYSA-N 0 0 388.471 3.491 40 0 GGABRN CCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)c2sc(C)nc2C)CC1 ZINC000072348248 205330324 /nfs/dbraw/zinc/33/03/24/205330324.db2.gz MIJNMCKFEKFVIF-UHFFFAOYSA-N 0 0 394.500 3.419 40 0 GGABRN Cc1cccc(-c2cccc([C@H]3CCCN(C(=O)CN4CCOCC4)C3)n2)c1 ZINC000072349685 205330506 /nfs/dbraw/zinc/33/05/06/205330506.db2.gz UHBXKHMENZJANN-FQEVSTJZSA-N 0 0 379.504 3.095 40 0 GGABRN CC(C)c1nccn1-c1nccnc1[C@H]1CCCN(C(=O)Cc2ccncc2)C1 ZINC000072350641 205330671 /nfs/dbraw/zinc/33/06/71/205330671.db2.gz SLQFDHWTYKMVAZ-SFHVURJKSA-N 0 0 390.491 3.129 40 0 GGABRN Cc1noc(C)c1CCC(=O)N1CC=C(n2c(C)nc(=O)c3ccccc32)CC1 ZINC000072348228 205330685 /nfs/dbraw/zinc/33/06/85/205330685.db2.gz XWRDWNWISOJDEF-UHFFFAOYSA-N 0 0 392.459 3.016 40 0 GGABRN COc1ccc(Cc2cccc(C3CCN(C(=O)c4cnccn4)CC3)n2)cc1 ZINC000072349217 205330892 /nfs/dbraw/zinc/33/08/92/205330892.db2.gz WTEHKXSBGSVPIN-UHFFFAOYSA-N 0 0 388.471 3.491 40 0 GGABRN CC(=O)Nc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4cc[nH]n4)C3)n2)c1 ZINC000072349789 205331030 /nfs/dbraw/zinc/33/10/30/205331030.db2.gz YMKUUQXYWVYMQN-QGZVFWFLSA-N 0 0 389.459 3.450 40 0 GGABRN CCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)c2scnc2C)CC1 ZINC000072348263 205331065 /nfs/dbraw/zinc/33/10/65/205331065.db2.gz CBBZHYASJGZIIF-UHFFFAOYSA-N 0 0 380.473 3.111 40 0 GGABRN Cc1cccc(Cc2cccc([C@H]3CCCN(C(=O)CN4CCOCC4)C3)n2)c1 ZINC000072349703 205331266 /nfs/dbraw/zinc/33/12/66/205331266.db2.gz OTDQZXFZYVGHQG-NRFANRHFSA-N 0 0 393.531 3.019 40 0 GGABRN COc1ccc(Oc2cncc(C3CCN(C(=O)c4cnccn4)CC3)n2)cc1 ZINC000072362171 205334095 /nfs/dbraw/zinc/33/40/95/205334095.db2.gz MPBHGZBIVRVEQD-UHFFFAOYSA-N 0 0 391.431 3.087 40 0 GGABRN O=C(c1cnccn1)N1CCC[C@@H](c2nccnc2Oc2cccc(F)c2)C1 ZINC000072362149 205334128 /nfs/dbraw/zinc/33/41/28/205334128.db2.gz WXXLALJZYFPRQI-CQSZACIVSA-N 0 0 379.395 3.218 40 0 GGABRN COc1ccc(CCC(=O)N2CCC(c3cncc(-n4ccnc4)n3)CC2)cc1 ZINC000072355376 205331647 /nfs/dbraw/zinc/33/16/47/205331647.db2.gz JRKGBOJGTMXMKC-UHFFFAOYSA-N 0 0 391.475 3.010 40 0 GGABRN O=C(c1sc2ccccc2c1[C@@H]1CCN(c2ncccn2)C1)N1CCOCC1 ZINC000072352404 205331923 /nfs/dbraw/zinc/33/19/23/205331923.db2.gz NZBQJQQQXYXCRK-OAHLLOKOSA-N 0 0 394.500 3.158 40 0 GGABRN CCN(CC)S(=O)(=O)N1CCC[C@H]1c1ccc(Nc2cccc(C)n2)cn1 ZINC000072353051 205332019 /nfs/dbraw/zinc/33/20/19/205332019.db2.gz LQPVHWWDMJWULX-SFHVURJKSA-N 0 0 389.525 3.252 40 0 GGABRN Cc1ccnn1CCC(=O)N1CCC[C@@H](c2cc(-c3cnn(C)c3)cc(C)n2)C1 ZINC000072353652 205332148 /nfs/dbraw/zinc/33/21/48/205332148.db2.gz HHWJLEOMJNTMFA-GOSISDBHSA-N 0 0 392.507 3.092 40 0 GGABRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1c1ccc(Nc2ccccn2)cn1 ZINC000072353175 205332163 /nfs/dbraw/zinc/33/21/63/205332163.db2.gz UFJLJKLYSKTFTC-KRWDZBQOSA-N 0 0 399.476 3.351 40 0 GGABRN CN(C)C(=O)c1cc([C@H]2CN(C(=O)c3ccccc3)CCO2)nc2ccccc21 ZINC000072352691 205332258 /nfs/dbraw/zinc/33/22/58/205332258.db2.gz JIUGPAKHZVQYNV-OAQYLSRUSA-N 0 0 389.455 3.150 40 0 GGABRN Nc1cc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)COCc2ccccc2)ccn1 ZINC000072357471 205332269 /nfs/dbraw/zinc/33/22/69/205332269.db2.gz UJJXQEZGGUKZOS-LJQANCHMSA-N 0 0 391.475 3.324 40 0 GGABRN Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3ccc(Nc4ccccn4)cn3)C2)n1 ZINC000072353341 205332283 /nfs/dbraw/zinc/33/22/83/205332283.db2.gz WCHLKFZKLWOPMJ-GOSISDBHSA-N 0 0 390.491 3.440 40 0 GGABRN COc1ccccc1Cc1cccc([C@H]2CCCN2CC(=O)N2CCCC2)n1 ZINC000072357650 205332299 /nfs/dbraw/zinc/33/22/99/205332299.db2.gz IPUWKNHKAKTDGV-OAQYLSRUSA-N 0 0 379.504 3.440 40 0 GGABRN NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCCN2C(=O)CC2CCCC2)c1 ZINC000072354847 205332457 /nfs/dbraw/zinc/33/24/57/205332457.db2.gz QKKPESNOHWIRPK-GOSISDBHSA-N 0 0 393.491 3.069 40 0 GGABRN O=C(c1sc2ccccc2c1[C@H]1CCN(c2cncnc2)C1)N1CCOCC1 ZINC000072356204 205332561 /nfs/dbraw/zinc/33/25/61/205332561.db2.gz RXNMTSWMYAFWJU-HNNXBMFYSA-N 0 0 394.500 3.158 40 0 GGABRN O=C(c1sc2ccccc2c1[C@H]1CCN(c2cnccn2)C1)N1CCOCC1 ZINC000072356028 205332691 /nfs/dbraw/zinc/33/26/91/205332691.db2.gz MPWNHJRRWCGMLT-HNNXBMFYSA-N 0 0 394.500 3.158 40 0 GGABRN COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)c2cccnc2)cc1 ZINC000072354726 205332932 /nfs/dbraw/zinc/33/29/32/205332932.db2.gz JSZMHVOJUJFICI-SFHVURJKSA-N 0 0 375.432 3.107 40 0 GGABRN O=C(CN1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1)N1CCOCC1 ZINC000072357636 205333010 /nfs/dbraw/zinc/33/30/10/205333010.db2.gz QZDTZXZUGRVGTD-OAQYLSRUSA-N 0 0 399.922 3.322 40 0 GGABRN CCc1nccn1-c1cncc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 ZINC000072355370 205333167 /nfs/dbraw/zinc/33/31/67/205333167.db2.gz YWFAGVBLEKLWCX-UHFFFAOYSA-N 0 0 393.466 3.313 40 0 GGABRN Cn1cc(C(=O)N2CCC[C@@H]2c2nc(N)ncc2-c2ccc(Cl)cc2)cn1 ZINC000072354900 205333208 /nfs/dbraw/zinc/33/32/08/205333208.db2.gz KRJSOVMWXTXHMZ-MRXNPFEDSA-N 0 0 382.855 3.090 40 0 GGABRN COc1ccccc1Cc1cccc([C@@H]2CCCN2CC(=O)N2CCCC2)n1 ZINC000072357649 205333332 /nfs/dbraw/zinc/33/33/32/205333332.db2.gz IPUWKNHKAKTDGV-NRFANRHFSA-N 0 0 379.504 3.440 40 0 GGABRN NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCCN2C(=O)C2CCCCC2)c1 ZINC000072354681 205333354 /nfs/dbraw/zinc/33/33/54/205333354.db2.gz FALDOIAESSYSMD-GOSISDBHSA-N 0 0 393.491 3.069 40 0 GGABRN COc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4cnccn4)C3)n2)c1 ZINC000072362162 205333652 /nfs/dbraw/zinc/33/36/52/205333652.db2.gz RMTAHLCOVNBDJK-HNNXBMFYSA-N 0 0 391.431 3.087 40 0 GGABRN Cc1cc(Nc2ncccc2C)nc([C@H]2CCCN(C(=O)C3CCOCC3)C2)n1 ZINC000072360080 205334185 /nfs/dbraw/zinc/33/41/85/205334185.db2.gz UBMQHHXYGLKQRU-SFHVURJKSA-N 0 0 395.507 3.365 40 0 GGABRN Nc1cc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)NCCc2ccccc2)ccn1 ZINC000072360794 205333776 /nfs/dbraw/zinc/33/37/76/205333776.db2.gz DZKAENVQFCOHTC-SFHVURJKSA-N 0 0 376.464 3.143 40 0 GGABRN Nc1cc(-c2c[nH]nc2[C@H]2CCCN(C(=O)NCCc3ccccc3)C2)ccn1 ZINC000072360789 205334517 /nfs/dbraw/zinc/33/45/17/205334517.db2.gz CJBQRHACDXKBDP-SFHVURJKSA-N 0 0 390.491 3.186 40 0 GGABRN COc1ccccc1Oc1nccnc1C1CCN(CC(=O)N2CCCC2)CC1 ZINC000072361882 205334626 /nfs/dbraw/zinc/33/46/26/205334626.db2.gz CFCFJXLAEBHKOY-UHFFFAOYSA-N 0 0 396.491 3.079 40 0 GGABRN COCC(=O)N1CC[C@H](c2cc(CCOc3ccccc3C(F)(F)F)n[nH]2)C1 ZINC000072371293 205335276 /nfs/dbraw/zinc/33/52/76/205335276.db2.gz YVJYUNHCGJGKOK-ZDUSSCGKSA-N 0 0 397.397 3.012 40 0 GGABRN Cn1cc(C(=O)N2CCC[C@H](c3cncc(Oc4cccc(F)c4)n3)C2)cn1 ZINC000072362936 205335284 /nfs/dbraw/zinc/33/52/84/205335284.db2.gz CQSIHTHUSPNVMO-AWEZNQCLSA-N 0 0 381.411 3.161 40 0 GGABRN CC(=O)Nc1ccc(Oc2nccnc2C2CCN(Cc3ncc[nH]3)CC2)cc1 ZINC000072362993 205335335 /nfs/dbraw/zinc/33/53/35/205335335.db2.gz WEEACOGQKHWXCX-UHFFFAOYSA-N 0 0 392.463 3.330 40 0 GGABRN Cc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)c3ccnn3C)C2)cc1 ZINC000072362798 205335362 /nfs/dbraw/zinc/33/53/62/205335362.db2.gz CVWQNBQCXHDARS-MRXNPFEDSA-N 0 0 377.448 3.331 40 0 GGABRN COc1cccc(Oc2nccnc2[C@H]2CCCN(C(=O)c3ccn(C)n3)C2)c1 ZINC000072362740 205335843 /nfs/dbraw/zinc/33/58/43/205335843.db2.gz CJHRLAGHQNCWGS-HNNXBMFYSA-N 0 0 393.447 3.031 40 0 GGABRN Cn1ccnc1C(=O)N1CCC(c2cncc(Oc3cccc(F)c3)n2)CC1 ZINC000072363141 205336018 /nfs/dbraw/zinc/33/60/18/205336018.db2.gz STNOAQIGMPXGEI-UHFFFAOYSA-N 0 0 381.411 3.161 40 0 GGABRN COc1ccccc1OCCc1cc([C@H]2CCN(c3nc(C)cc(C)n3)C2)n[nH]1 ZINC000072371393 205336032 /nfs/dbraw/zinc/33/60/32/205336032.db2.gz PTORKAIWIKOENP-KRWDZBQOSA-N 0 0 393.491 3.441 40 0 GGABRN Cn1ccnc1C(=O)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1 ZINC000072363120 205336057 /nfs/dbraw/zinc/33/60/57/205336057.db2.gz MNWYLCIZQULVRO-UHFFFAOYSA-N 0 0 381.411 3.161 40 0 GGABRN Cc1cc(Oc2ccccc2)nc(C2CCN(C(=O)c3ccn(C)n3)CC2)n1 ZINC000072362766 205336061 /nfs/dbraw/zinc/33/60/61/205336061.db2.gz XMKGNCUZAWFGGT-UHFFFAOYSA-N 0 0 377.448 3.331 40 0 GGABRN COc1ccccc1Oc1nccnc1[C@H]1CCCN(Cc2nccn2C)C1 ZINC000072362773 205336065 /nfs/dbraw/zinc/33/60/65/205336065.db2.gz QPGXTCCJYIAZMR-INIZCTEOSA-N 0 0 379.464 3.391 40 0 GGABRN Cc1cc(Oc2ccc(F)cc2)nc(C2CCN(C(=O)c3cnn(C)c3)CC2)n1 ZINC000072362954 205336097 /nfs/dbraw/zinc/33/60/97/205336097.db2.gz KNGUVEFXEDXXLT-UHFFFAOYSA-N 0 0 395.438 3.470 40 0 GGABRN COc1ccccc1OCCc1cc([C@@H]2CCN(c3nc(C)cc(C)n3)C2)n[nH]1 ZINC000072371394 205336136 /nfs/dbraw/zinc/33/61/36/205336136.db2.gz PTORKAIWIKOENP-QGZVFWFLSA-N 0 0 393.491 3.441 40 0 GGABRN CCC(=O)N1CCCC[C@@H]1c1nc2c(c(C)n1)CC(=O)N2Cc1cccc(F)c1 ZINC000072371850 205336219 /nfs/dbraw/zinc/33/62/19/205336219.db2.gz MOBBVCWBEWJFQD-GOSISDBHSA-N 0 0 396.466 3.477 40 0 GGABRN Cc1c(C(=O)N2CCC[C@H](c3nccnc3Oc3ccc(F)cc3)C2)cnn1C ZINC000072362610 205336233 /nfs/dbraw/zinc/33/62/33/205336233.db2.gz FBGCQVNMAVNWAY-HNNXBMFYSA-N 0 0 395.438 3.470 40 0 GGABRN Cn1cc(C(=O)N2CCC[C@H](c3cncc(Oc4ccccc4F)n3)C2)cn1 ZINC000072362934 205336238 /nfs/dbraw/zinc/33/62/38/205336238.db2.gz RTSMLUKFLKWOOO-AWEZNQCLSA-N 0 0 381.411 3.161 40 0 GGABRN COc1ccc(OCCc2cc([C@@H]3CCN(c4nc(C)cc(C)n4)C3)n[nH]2)cc1 ZINC000072371396 205336242 /nfs/dbraw/zinc/33/62/42/205336242.db2.gz XHMGJHCUPVXQKV-QGZVFWFLSA-N 0 0 393.491 3.441 40 0 GGABRN Cc1ccc(Oc2nccnc2C2CCN(C(=O)c3cnn(C)c3)CC2)cc1 ZINC000072362947 205336297 /nfs/dbraw/zinc/33/62/97/205336297.db2.gz QXPRIIQJYAYMMV-UHFFFAOYSA-N 0 0 377.448 3.331 40 0 GGABRN COc1cccc(Oc2nccnc2[C@@H]2CCCN(Cc3nccn3C)C2)c1 ZINC000072362772 205336302 /nfs/dbraw/zinc/33/63/02/205336302.db2.gz MOFLGVRMDJPGIO-MRXNPFEDSA-N 0 0 379.464 3.391 40 0 GGABRN COc1cccc(Oc2nccnc2C2CCN(C(=O)c3cnn(C)c3)CC2)c1 ZINC000072362942 205336434 /nfs/dbraw/zinc/33/64/34/205336434.db2.gz CKALDAQJDUHQRC-UHFFFAOYSA-N 0 0 393.447 3.031 40 0 GGABRN Cn1cc(C(=O)N2CCC[C@@H](c3cncc(Oc4cccc(F)c4)n3)C2)cn1 ZINC000072362937 205336460 /nfs/dbraw/zinc/33/64/60/205336460.db2.gz CQSIHTHUSPNVMO-CQSZACIVSA-N 0 0 381.411 3.161 40 0 GGABRN Cc1c(C(=O)N2CCC(c3nccnc3Oc3ccccc3)CC2)cnn1C ZINC000072362612 205336510 /nfs/dbraw/zinc/33/65/10/205336510.db2.gz YKZUXEIYYAXNFI-UHFFFAOYSA-N 0 0 377.448 3.331 40 0 GGABRN O=C(Cn1cccn1)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1 ZINC000072363093 205336533 /nfs/dbraw/zinc/33/65/33/205336533.db2.gz WAIVBPZQXPQSST-UHFFFAOYSA-N 0 0 381.411 3.011 40 0 GGABRN CCC(=O)N1CCC[C@@H]1c1nc2c(c(C)n1)CC(=O)N2CCc1ccccc1F ZINC000072371892 205336590 /nfs/dbraw/zinc/33/65/90/205336590.db2.gz PHNFVUGWQXVTRD-GOSISDBHSA-N 0 0 396.466 3.129 40 0 GGABRN COc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4nccn4C)C3)n2)c1 ZINC000072363127 205336620 /nfs/dbraw/zinc/33/66/20/205336620.db2.gz WNKSCOFIYHCJMJ-HNNXBMFYSA-N 0 0 393.447 3.031 40 0 GGABRN COc1ccc(Oc2nccnc2C2CCN(Cc3cncn3C)CC2)cc1 ZINC000072363156 205336630 /nfs/dbraw/zinc/33/66/30/205336630.db2.gz LTVGWJVVJLYPDN-UHFFFAOYSA-N 0 0 379.464 3.391 40 0 GGABRN Cc1cnc(C(=O)N2CCC[C@@H](c3nccnc3Oc3ccccc3)C2)cn1 ZINC000072362489 205336663 /nfs/dbraw/zinc/33/66/63/205336663.db2.gz JCSAIIIANPSQIV-MRXNPFEDSA-N 0 0 375.432 3.387 40 0 GGABRN Cc1cc(-c2cncnc2)cc([C@H]2CCN(C(=O)CC3(O)CCCCC3)C2)n1 ZINC000072374706 205337224 /nfs/dbraw/zinc/33/72/24/205337224.db2.gz CQGRMBMVLJEWCN-KRWDZBQOSA-N 0 0 380.492 3.248 40 0 GGABRN CNc1nc([C@H]2CCCCN2C(=O)C2CCCCC2)nc2c1CN(C(C)=O)CC2 ZINC000072372339 205337385 /nfs/dbraw/zinc/33/73/85/205337385.db2.gz LLIBSVHZNZFOGH-LJQANCHMSA-N 0 0 399.539 3.057 40 0 GGABRN CCN(CC)C(=O)CN1CCCC[C@H]1c1nc(N)ncc1-c1cccc(OC)c1 ZINC000072376828 205337481 /nfs/dbraw/zinc/33/74/81/205337481.db2.gz SXCKGXDNGIFNPI-IBGZPJMESA-N 0 0 397.523 3.130 40 0 GGABRN Nc1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2C(=O)c2cc[nH]n2)n1 ZINC000072377121 205337516 /nfs/dbraw/zinc/33/75/16/205337516.db2.gz LFOATJYUPRLTBZ-INIZCTEOSA-N 0 0 382.855 3.470 40 0 GGABRN O=C(COc1ccccc1)N1CCC[C@H]1c1cccc(Nc2cnccn2)n1 ZINC000072375190 205337580 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0 0 395.411 3.014 40 0 GGABRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@@H]1c1cc(F)cc(F)c1 ZINC000010326114 205857651 /nfs/dbraw/zinc/85/76/51/205857651.db2.gz YSUXUOBXUREFJE-HNNXBMFYSA-N 0 0 398.365 3.064 40 0 GGABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C)c3)C2)cc1 ZINC000007914786 205823450 /nfs/dbraw/zinc/82/34/50/205823450.db2.gz QUJMYSXPRHIVTR-INIZCTEOSA-N 0 0 388.489 3.043 40 0 GGABRN C[C@@H](NC(=O)CN(C)CC(=O)Nc1ccccc1C(F)(F)F)c1ccco1 ZINC000012910822 205882695 /nfs/dbraw/zinc/88/26/95/205882695.db2.gz GSCTZLADYCXBBT-GFCCVEGCSA-N 0 0 383.370 3.046 40 0 GGABRN COC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000013073345 205883391 /nfs/dbraw/zinc/88/33/91/205883391.db2.gz DIHBWWDGHATVIZ-CYBMUJFWSA-N 0 0 396.896 3.214 40 0 GGABRN CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(F)cc3)n2)cc1 ZINC000177046474 205887069 /nfs/dbraw/zinc/88/70/69/205887069.db2.gz LLPQDAGIOLMBIU-UHFFFAOYSA-N 0 0 391.424 3.095 40 0 GGABRN COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@@H](C)[C@@H]3C)C2)c1 ZINC000013114488 205887144 /nfs/dbraw/zinc/88/71/44/205887144.db2.gz SQTZGFJYUCUDDA-ZSFPCNDZSA-N 0 0 386.492 3.393 40 0 GGABRN O=C(CNC(=O)c1cccs1)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000010578943 205861098 /nfs/dbraw/zinc/86/10/98/205861098.db2.gz DOAPIWXYCZZMIX-UHFFFAOYSA-N 0 0 386.502 3.327 40 0 GGABRN O=C(Cn1ccc2ccccc21)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000206788086 205861214 /nfs/dbraw/zinc/86/12/14/205861214.db2.gz UPXHDNLUXRBIMM-INIZCTEOSA-N 0 0 388.393 3.450 40 0 GGABRN O=c1c2cc(Cl)cc(Cl)c2ncn1CCS(=O)(=O)c1ccccc1 ZINC000010611026 205862351 /nfs/dbraw/zinc/86/23/51/205862351.db2.gz CBBMFCILNHBDBH-UHFFFAOYSA-N 0 0 383.256 3.177 40 0 GGABRN CCCOc1ccc(Br)cc1[C@@H]1NC(=S)N=C(C)C1C(=O)OC ZINC000011213252 205862797 /nfs/dbraw/zinc/86/27/97/205862797.db2.gz DFDQXOCLWAROBC-AWEZNQCLSA-N 0 0 399.310 3.204 40 0 GGABRN O=Cc1ccc(OCC(=O)Nc2ccc(I)cc2)cc1 ZINC000010966907 205863109 /nfs/dbraw/zinc/86/31/09/205863109.db2.gz VTMYJHADSKLOQH-UHFFFAOYSA-N 0 0 381.169 3.121 40 0 GGABRN COc1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)cc1S(N)(=O)=O ZINC000011105535 205863530 /nfs/dbraw/zinc/86/35/30/205863530.db2.gz MRRUKYLFJXUQFX-UHFFFAOYSA-N 0 0 390.244 3.006 40 0 GGABRN C[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000010967574 205863813 /nfs/dbraw/zinc/86/38/13/205863813.db2.gz YJGGYAHPTBAMHU-NSHDSACASA-N 0 0 382.279 3.344 40 0 GGABRN O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000011380112 205865702 /nfs/dbraw/zinc/86/57/02/205865702.db2.gz HLXRCFUGZKJGLC-NRFANRHFSA-N 0 0 377.375 3.374 40 0 GGABRN Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000012236492 205872870 /nfs/dbraw/zinc/87/28/70/205872870.db2.gz FZZAIFADYXFWFV-SNVBAGLBSA-N 0 0 387.358 3.385 40 0 GGABRN CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000175817628 205876725 /nfs/dbraw/zinc/87/67/25/205876725.db2.gz XTYNREXBKKOZLK-CRAIPNDOSA-N 0 0 375.490 3.433 40 0 GGABRN C[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1cccc(Br)c1 ZINC000012544912 205876966 /nfs/dbraw/zinc/87/69/66/205876966.db2.gz ZZXOKGDAKKVGGU-NSHDSACASA-N 0 0 397.294 3.312 40 0 GGABRN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H](C)C(=O)NC1CCCC1 ZINC000012734282 205879265 /nfs/dbraw/zinc/87/92/65/205879265.db2.gz ZKSZDBLDJDDQDQ-GUYCJALGSA-N 0 0 394.899 3.085 40 0 GGABRN CSCc1ccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000012882684 205880686 /nfs/dbraw/zinc/88/06/86/205880686.db2.gz XYMMAEGHVANATJ-QGZVFWFLSA-N 0 0 376.547 3.414 40 0 GGABRN CC[C@H]1c2ccsc2CCN1C(=O)CNC(=O)c1ccc(OC)c(OC)c1 ZINC000012925455 205881891 /nfs/dbraw/zinc/88/18/91/205881891.db2.gz ICHRRPNTJCQHDE-HNNXBMFYSA-N 0 0 388.489 3.031 40 0 GGABRN COc1ccc(Cl)cc1CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1 ZINC000014251462 205894779 /nfs/dbraw/zinc/89/47/79/205894779.db2.gz ZHMPETIWNBUNNC-JTQLQIEISA-N 0 0 388.898 3.001 40 0 GGABRN CC(C)(C)c1cc(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc(C(C)(C)C)c1O ZINC000014196713 205895044 /nfs/dbraw/zinc/89/50/44/205895044.db2.gz HDEBOKJTLPTXCT-OAHLLOKOSA-N 0 0 395.565 3.223 40 0 GGABRN COc1ccccc1CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000014603522 205895978 /nfs/dbraw/zinc/89/59/78/205895978.db2.gz CXWNOZRZEMTPMW-UHFFFAOYSA-N 0 0 384.451 3.045 40 0 GGABRN COc1ccc(-c2c(C)nn3c2nnc(C(=O)N2CCCCC2)c3C)cc1OC ZINC000014607681 205896189 /nfs/dbraw/zinc/89/61/89/205896189.db2.gz SPXSBABJZBRYKM-UHFFFAOYSA-N 0 0 395.463 3.051 40 0 GGABRN COCc1nn2c(nnc3c2CC(C)(C)CC3=O)c1-c1ccc(OC)c(OC)c1 ZINC000014607772 205896819 /nfs/dbraw/zinc/89/68/19/205896819.db2.gz LNGIVXLWLMWNNR-UHFFFAOYSA-N 0 0 396.447 3.110 40 0 GGABRN C[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)cc1 ZINC000015197459 205899072 /nfs/dbraw/zinc/89/90/72/205899072.db2.gz WGZJGZRTFTVNRR-HNNXBMFYSA-N 0 0 383.469 3.500 40 0 GGABRN Cc1cc(Br)ccc1NC(=O)Cn1nnc(-c2cccs2)n1 ZINC000015555248 205900400 /nfs/dbraw/zinc/90/04/00/205900400.db2.gz WRSWRCMGNSPIGH-UHFFFAOYSA-N 0 0 378.255 3.111 40 0 GGABRN CNc1snc(C)c1C(=O)OCC(=O)N(C)Cc1c(F)cccc1Cl ZINC000016552673 205905391 /nfs/dbraw/zinc/90/53/91/205905391.db2.gz BUZICLHPQSEFQD-UHFFFAOYSA-N 0 0 385.848 3.101 40 0 GGABRN Cc1ccc(OCC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)c(C)c1 ZINC000016112221 205906012 /nfs/dbraw/zinc/90/60/12/205906012.db2.gz WVRNAOFXIYTVCZ-UHFFFAOYSA-N 0 0 382.460 3.265 40 0 GGABRN CCN(CC)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 ZINC000016642953 205906699 /nfs/dbraw/zinc/90/66/99/205906699.db2.gz IUIFEFOSILUGFO-UHFFFAOYSA-N 0 0 376.478 3.002 40 0 GGABRN CC[C@@H]1c2ccsc2CCN1C(=O)CCc1ccc(S(=O)(=O)NC)cc1 ZINC000016779151 205907583 /nfs/dbraw/zinc/90/75/83/205907583.db2.gz COZBXFWEJZXVFX-QGZVFWFLSA-N 0 0 392.546 3.125 40 0 GGABRN CN(Cc1ccc2c(c1)OCO2)C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000018156549 205913472 /nfs/dbraw/zinc/91/34/72/205913472.db2.gz XLBJNWZGGLGRBB-UHFFFAOYSA-N 0 0 395.242 3.111 40 0 GGABRN CCCC[C@H](c1nnnn1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000019502107 205913662 /nfs/dbraw/zinc/91/36/62/205913662.db2.gz ISFIEEHNNZFEJS-QGZVFWFLSA-N 0 0 386.500 3.071 40 0 GGABRN CCc1cccc(NC(=O)COC(=O)C23C[C@H]4C[C@H](CC(NC(C)=O)(C4)C2)C3)c1 ZINC000018322841 205914231 /nfs/dbraw/zinc/91/42/31/205914231.db2.gz DVLPKLLAENELKC-WVKNIADZSA-N 0 0 398.503 3.206 40 0 GGABRN CC1CCN(C(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)CC1 ZINC000020234262 205915509 /nfs/dbraw/zinc/91/55/09/205915509.db2.gz SBUGRWCFSKSTGN-UHFFFAOYSA-N 0 0 390.480 3.280 40 0 GGABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)c2ccc(Cl)cc2C)cc1 ZINC000020236339 205916858 /nfs/dbraw/zinc/91/68/58/205916858.db2.gz BQGQJVOFHWZOKC-UHFFFAOYSA-N 0 0 392.908 3.431 40 0 GGABRN C[C@H](C(=O)NC(C)(C)C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CC3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466612 205919702 /nfs/dbraw/zinc/91/97/02/205919702.db2.gz KGCTXUWYGUPIRS-ANFGQPHPSA-N 0 0 392.584 3.255 40 0 biogenic,in-vitro GGABRN CN(CC(=O)c1c2ccccc2[nH]c1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000014197232 205893703 /nfs/dbraw/zinc/89/37/03/205893703.db2.gz NXGJLHNWPGQEKY-INIZCTEOSA-N 0 0 382.485 3.137 40 0 GGABRN Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000013996932 205893799 /nfs/dbraw/zinc/89/37/99/205893799.db2.gz OBKRZAVEJXCCSL-OKILXGFUSA-N 0 0 394.518 3.107 40 0 GGABRN COC(=O)c1ccc(OS(=O)(=O)c2c(C)c(C)cc(C)c2C)c(OC)c1 ZINC000021821151 205936719 /nfs/dbraw/zinc/93/67/19/205936719.db2.gz UJDAOZUZSJYVKZ-UHFFFAOYSA-N 0 0 378.446 3.483 40 0 GGABRN C[C@H]1C(=O)N(C[C@H](O)COc2ccc3ccccc3c2)C(=O)N1c1ccccc1 ZINC000021932792 205937909 /nfs/dbraw/zinc/93/79/09/205937909.db2.gz JZBFROSTGQHJQL-JXFKEZNVSA-N 0 0 390.439 3.437 40 0 GGABRN CCc1ccc(S(=O)(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)s1 ZINC000217666617 205940343 /nfs/dbraw/zinc/94/03/43/205940343.db2.gz LRXSNIPNWYEYET-HNNXBMFYSA-N 0 0 388.518 3.205 40 0 GGABRN CCOC(=O)N1CCC(NC(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000022024181 205940815 /nfs/dbraw/zinc/94/08/15/205940815.db2.gz UIYSDNSTIFCLNW-UHFFFAOYSA-N 0 0 375.252 3.109 40 0 GGABRN O=c1[nH]c(CN(Cc2nc3ccccc3o2)C[C@@H]2CCCO2)nc2ccccc21 ZINC000021332426 205928978 /nfs/dbraw/zinc/92/89/78/205928978.db2.gz FSQYCRIDDPZKJL-HNNXBMFYSA-N 0 0 390.443 3.246 40 0 GGABRN O=C(NC1CCCCCCC1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000216244866 205931268 /nfs/dbraw/zinc/93/12/68/205931268.db2.gz KTTFJSOVTSZVKN-UHFFFAOYSA-N 0 0 378.538 3.455 40 0 GGABRN COc1ccc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000216334775 205931808 /nfs/dbraw/zinc/93/18/08/205931808.db2.gz NOZBFIADCALIFH-UHFFFAOYSA-N 0 0 390.480 3.284 40 0 GGABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1[C@@H]1CC=CCC1 ZINC000216568350 205933683 /nfs/dbraw/zinc/93/36/83/205933683.db2.gz TZENWCQQPGGTGF-MNEFBYGVSA-N 0 0 397.475 3.106 40 0 GGABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3[C@@H](C)CCC[C@@H]3C)C2)cc1 ZINC000216573328 205933700 /nfs/dbraw/zinc/93/37/00/205933700.db2.gz BWHVGAHEYOCFDE-BZSNNMDCSA-N 0 0 378.538 3.185 40 0 GGABRN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCC1(c2ccccc2)CCC1 ZINC000022348870 205950234 /nfs/dbraw/zinc/95/02/34/205950234.db2.gz FBRUOQCEWKCSMT-UHFFFAOYSA-N 0 0 381.867 3.232 40 0 GGABRN CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C)c1ccc(S(C)(=O)=O)cc1 ZINC000219290202 205954842 /nfs/dbraw/zinc/95/48/42/205954842.db2.gz KKLXOWRSCHEREP-CRAIPNDOSA-N 0 0 375.490 3.433 40 0 GGABRN CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000219326919 205955456 /nfs/dbraw/zinc/95/54/56/205955456.db2.gz HZOODJQRFZVXNS-INIZCTEOSA-N 0 0 377.412 3.325 40 0 GGABRN CCN(CC(=O)Nc1ccc(F)c(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000057449891 205956755 /nfs/dbraw/zinc/95/67/55/205956755.db2.gz NFJDJARETDTOLT-UHFFFAOYSA-N 0 0 388.830 3.176 40 0 GGABRN CN(c1cccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1)S(C)(=O)=O ZINC000222419969 205979023 /nfs/dbraw/zinc/97/90/23/205979023.db2.gz XUERFLRMORQBJJ-QGZVFWFLSA-N 0 0 388.489 3.115 40 0 GGABRN CC[C@@H](NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1)c1ccc(OC)cc1 ZINC000222462554 205979830 /nfs/dbraw/zinc/97/98/30/205979830.db2.gz WYTFSMSYUQNKAU-GOSISDBHSA-N 0 0 390.505 3.281 40 0 GGABRN CSc1cccc(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)c1 ZINC000219714378 205961207 /nfs/dbraw/zinc/96/12/07/205961207.db2.gz TYYZQRFBLAEDLH-UHFFFAOYSA-N 0 0 378.519 3.448 40 0 GGABRN Cc1cc(CN2CCN(CC(=O)Nc3cccc(Cl)c3Cl)CC2)no1 ZINC000022799027 205965192 /nfs/dbraw/zinc/96/51/92/205965192.db2.gz OXVGLPCILMFGCH-UHFFFAOYSA-N 0 0 383.279 3.046 40 0 GGABRN COc1cccc(N([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)c1 ZINC000220163905 205968303 /nfs/dbraw/zinc/96/83/03/205968303.db2.gz FPKUWCNNOZLPDP-ZDUSSCGKSA-N 0 0 396.896 3.450 40 0 GGABRN COc1cccc(N([C@@H](C)C(=O)Nc2ccc(C)cc2C)S(C)(=O)=O)c1 ZINC000220155126 205968482 /nfs/dbraw/zinc/96/84/82/205968482.db2.gz XVPZHJLOATYMSP-HNNXBMFYSA-N 0 0 376.478 3.105 40 0 GGABRN CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1F ZINC000220085184 205968906 /nfs/dbraw/zinc/96/89/06/205968906.db2.gz IPNBXENOKPLCNA-UHFFFAOYSA-N 0 0 392.786 3.162 40 0 GGABRN COc1cccc(N([C@H](C)C(=O)Nc2ccccc2Cl)S(C)(=O)=O)c1 ZINC000220156421 205969072 /nfs/dbraw/zinc/96/90/72/205969072.db2.gz GJUYUSMNTYALOP-GFCCVEGCSA-N 0 0 382.869 3.142 40 0 GGABRN Cc1ccc(Cl)cc1NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O ZINC000220083058 205969187 /nfs/dbraw/zinc/96/91/87/205969187.db2.gz 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GGABRN CCc1ccc([C@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C(C)C)cc1 ZINC000032759191 206095147 /nfs/dbraw/zinc/09/51/47/206095147.db2.gz OXARAZRTNYDYCY-LJQANCHMSA-N 0 0 395.546 3.328 40 0 GGABRN CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)OCc1cn2cc(Cl)ccc2n1 ZINC000032954675 206095185 /nfs/dbraw/zinc/09/51/85/206095185.db2.gz DOYGUAPJNRSHJD-HXUWFJFHSA-N 0 0 399.878 3.414 40 0 GGABRN Cc1ccc(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)cc1I ZINC000032902045 206095191 /nfs/dbraw/zinc/09/51/91/206095191.db2.gz WXTOMIUDJKVCRL-SNVBAGLBSA-N 0 0 388.249 3.089 40 0 GGABRN COc1ccccc1NC(=O)CSc1nc2ncccc2c(=O)n1CC(C)C ZINC000032893338 206095300 /nfs/dbraw/zinc/09/53/00/206095300.db2.gz QGKODOHDWACLQL-UHFFFAOYSA-N 0 0 398.488 3.187 40 0 GGABRN COCCOc1ccc(CNC(=O)/C=C/c2cnn(-c3ccccc3)c2)cc1 ZINC000032925799 206095837 /nfs/dbraw/zinc/09/58/37/206095837.db2.gz ODLNNIROSMUYSR-FMIVXFBMSA-N 0 0 377.444 3.227 40 0 GGABRN O=S(=O)(N[C@@H](c1ccccc1)c1ccccn1)c1ccc2c(c1)OCCCO2 ZINC000033047993 206095887 /nfs/dbraw/zinc/09/58/87/206095887.db2.gz YWWVVUFPDPLRRL-NRFANRHFSA-N 0 0 396.468 3.311 40 0 GGABRN CN(C)C(=O)Sc1cccc(COC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1 ZINC000096013384 206113620 /nfs/dbraw/zinc/11/36/20/206113620.db2.gz RLAQNZNBSNYUAY-HNNXBMFYSA-N 0 0 390.505 3.295 40 0 GGABRN CCOc1ccccc1S(=O)(=O)N1CCC(Oc2ncccc2Cl)CC1 ZINC000096024870 206114635 /nfs/dbraw/zinc/11/46/35/206114635.db2.gz MZJXIMQOZPKIRE-UHFFFAOYSA-N 0 0 396.896 3.366 40 0 GGABRN O=C1[C@@H]2C[C@@H](CN2Cc2nccs2)Oc2ccccc2N1Cc1cccnc1 ZINC000096111845 206115243 /nfs/dbraw/zinc/11/52/43/206115243.db2.gz VXZNRHFGZAIPCB-WMZOPIPTSA-N 0 0 392.484 3.107 40 0 biogenic,in-vitro GGABRN Cn1cc(CN2C[C@@H](F)[C@@H](OCc3nc4cc(C(F)(F)F)ccc4[nH]3)C2)cn1 ZINC000096112258 206115384 /nfs/dbraw/zinc/11/53/84/206115384.db2.gz IDAFEOXLJPBULO-CJNGLKHVSA-N 0 0 397.376 3.054 40 0 biogenic,in-vitro GGABRN O=C(c1ccccc1)N1C[C@@H]2C[C@H]1C(=O)N(Cc1cccnc1)c1ccccc1O2 ZINC000096111650 206115467 /nfs/dbraw/zinc/11/54/67/206115467.db2.gz RLGUJHXJKRHSTA-FPOVZHCZSA-N 0 0 399.450 3.291 40 0 biogenic,in-vitro GGABRN COc1ccc(CC(=O)N2[C@@H]3CC[C@H]2CC(S(=O)(=O)c2ccccc2)C3)cc1 ZINC000096099572 206115600 /nfs/dbraw/zinc/11/56/00/206115600.db2.gz CPLRMLQTTSOPIZ-HTZLVSCSSA-N 0 0 399.512 3.234 40 0 GGABRN COc1ccc(C(=O)N2C[C@@H](F)[C@@H](OCc3nc4cc(C)ccc4[nH]3)C2)cc1 ZINC000096112069 206115610 /nfs/dbraw/zinc/11/56/10/206115610.db2.gz ABAXYSOZBFVUMC-APWZRJJASA-N 0 0 383.423 3.259 40 0 biogenic,in-vitro GGABRN Cn1ccnc1CN1C[C@@H](F)[C@@H](OCc2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC000096112252 206115656 /nfs/dbraw/zinc/11/56/56/206115656.db2.gz YYOUCYJMORMNIC-DOMZBBRYSA-N 0 0 397.376 3.054 40 0 biogenic,in-vitro GGABRN CN1c2ccccc2O[C@H]2C[C@@H](C1=O)N(C(=O)c1ccc(C(F)(F)F)cc1)C2 ZINC000096111721 206116438 /nfs/dbraw/zinc/11/64/38/206116438.db2.gz JXKMWURUEAEEAW-HOCLYGCPSA-N 0 0 390.361 3.344 40 0 biogenic,in-vitro GGABRN Cc1ccc(S(=O)(=O)N2C[C@@H](F)[C@@H](OCc3nc4ccccc4o3)C2)cc1 ZINC000096112014 206116451 /nfs/dbraw/zinc/11/64/51/206116451.db2.gz ANHHVCGPMWERAQ-QAPCUYQASA-N 0 0 390.436 3.064 40 0 biogenic,in-vitro GGABRN COc1ccc(-c2nn([C@@H](C)C(=O)Nc3ccccc3)c(=O)cc2OC)cc1 ZINC000096101019 206116520 /nfs/dbraw/zinc/11/65/20/206116520.db2.gz IIGGLJAMBMQYFC-AWEZNQCLSA-N 0 0 379.416 3.127 40 0 GGABRN Cn1c(CO[C@H]2CN(Cc3ccc4c(c3)OCCO4)C[C@H]2F)nc2ccccc21 ZINC000096112212 206116840 /nfs/dbraw/zinc/11/68/40/206116840.db2.gz GPGGCUBFGFNWGY-IERDGZPVSA-N 0 0 397.450 3.084 40 0 biogenic,in-vitro GGABRN Cc1cccc2c1nc1n2[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)COC1 ZINC000096112616 206118023 /nfs/dbraw/zinc/11/80/23/206118023.db2.gz FBFHDZMLGTXUEN-AWEZNQCLSA-N 0 0 391.880 3.048 40 0 biogenic,in-vitro GGABRN COc1cccc(CN2CCOC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c1 ZINC000096113162 206118416 /nfs/dbraw/zinc/11/84/16/206118416.db2.gz CKGJJAACHPPBLO-QGZVFWFLSA-N 0 0 382.382 3.389 40 0 biogenic,in-vitro GGABRN COc1ccc(CNC(=O)N2CCC(Oc3cccc(C)n3)CC2)cc1OC ZINC000096119556 206119176 /nfs/dbraw/zinc/11/91/76/206119176.db2.gz 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394.508 3.161 40 0 biogenic GGABRN CN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000014019362 221297337 /nfs/dbraw/zinc/29/73/37/221297337.db2.gz PHMCEGLONSQRFR-HNNXBMFYSA-N 0 0 392.908 3.404 40 0 GGABRN O=S(=O)(c1cccc(Cl)c1)N1CCC[C@@H]1c1nnc(-c2cccnc2)o1 ZINC000019293474 221406683 /nfs/dbraw/zinc/40/66/83/221406683.db2.gz HWDXJOFREMPZGO-OAHLLOKOSA-N 0 0 390.852 3.311 40 0 GGABRN CCCc1cc(CNC(=O)c2cc(C3CCOCC3)c3cnccc3n2)on1 ZINC000019525439 221421294 /nfs/dbraw/zinc/42/12/94/221421294.db2.gz UPWNXBYWUQWMTL-UHFFFAOYSA-N 0 0 380.448 3.394 40 0 GGABRN COCCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000100436978 533290873 /nfs/dbraw/zinc/29/08/73/533290873.db2.gz MCYLKWCQEWRXRW-ZRDIBKRKSA-N 0 0 398.459 3.122 40 0 GGABRN C[C@@H](C(=O)Nc1cc2c(cc1Br)n(C)c(=O)n2C)c1ccccc1 ZINC000408537118 533316736 /nfs/dbraw/zinc/31/67/36/533316736.db2.gz ZGARZQGVBQNLCR-LLVKDONJSA-N 0 0 388.265 3.382 40 0 GGABRN COc1cccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c1OC(C)C ZINC000409093835 533387515 /nfs/dbraw/zinc/38/75/15/533387515.db2.gz ARVNKOCSTFLQJK-OQLLNIDSSA-N 0 0 393.461 3.470 40 0 GGABRN COc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 ZINC000408649533 533355006 /nfs/dbraw/zinc/35/50/06/533355006.db2.gz LDPNOWZLZBJGJU-WMZOPIPTSA-N 0 0 395.455 3.480 40 0 GGABRN CS(=O)(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000408607293 533376735 /nfs/dbraw/zinc/37/67/35/533376735.db2.gz JRVDNCCFKNHRLK-UHFFFAOYSA-N 0 0 393.336 3.204 40 0 GGABRN CS(=O)(=O)N(CCCC(=O)N1CCCc2ccccc21)c1ccc(F)cc1 ZINC000408702494 533378242 /nfs/dbraw/zinc/37/82/42/533378242.db2.gz GZRJYFIPJXDKKP-UHFFFAOYSA-N 0 0 390.480 3.351 40 0 GGABRN COc1cccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 ZINC000408665845 533393633 /nfs/dbraw/zinc/39/36/33/533393633.db2.gz ZOMRKEUTTJIMTC-AWEZNQCLSA-N 0 0 387.819 3.128 40 0 GGABRN COc1cccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)c1 ZINC000408643520 533393765 /nfs/dbraw/zinc/39/37/65/533393765.db2.gz GBULKMDMHLDZPQ-QGZVFWFLSA-N 0 0 381.428 3.091 40 0 GGABRN COc1cccc(C(=O)N2CC[NH+]([C@H](CCC(=O)[O-])c3ccc(C)cc3)CC2)c1 ZINC000408613030 533400709 /nfs/dbraw/zinc/40/07/09/533400709.db2.gz WMUDKYPEDIMVDH-OAQYLSRUSA-N 0 0 396.487 3.368 40 0 GGABRN COc1ccc(C)cc1NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000014155453 533401600 /nfs/dbraw/zinc/40/16/00/533401600.db2.gz UPKUVDQOPYZDQU-INIZCTEOSA-N 0 0 390.505 3.414 40 0 GGABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC(C)(C)C)c1ccccc1 ZINC000409390846 533404316 /nfs/dbraw/zinc/40/43/16/533404316.db2.gz XCVJJFIQMNFYKZ-UHFFFAOYSA-N 0 0 390.505 3.114 40 0 GGABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccccc1SC ZINC000408560285 533405850 /nfs/dbraw/zinc/40/58/50/533405850.db2.gz OGKAULJUYHVHGV-CYBMUJFWSA-N 0 0 394.518 3.031 40 0 GGABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000408619507 533421822 /nfs/dbraw/zinc/42/18/22/533421822.db2.gz CLPPPLULUNFLEJ-UHFFFAOYSA-N 0 0 379.199 3.480 40 0 GGABRN COc1cc(/C=C2/C(=O)N(C)C(=S)N2C)ccc1OCc1ccccc1F ZINC000409041567 533470000 /nfs/dbraw/zinc/47/00/00/533470000.db2.gz WHUMCIWMKDSZNE-YBEGLDIGSA-N 0 0 386.448 3.443 40 0 GGABRN COc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1OC(C)=O ZINC000408820486 533474760 /nfs/dbraw/zinc/47/47/60/533474760.db2.gz WMFLACABNMPVTQ-XGICHPGQSA-N 0 0 386.223 3.049 40 0 GGABRN COc1ccc(CCCc2nnc(SCC(=O)NCc3ccco3)o2)cc1 ZINC000409013406 533476063 /nfs/dbraw/zinc/47/60/63/533476063.db2.gz KFRNCWKCWIXEMP-UHFFFAOYSA-N 0 0 387.461 3.255 40 0 GGABRN C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc(F)c1 ZINC000409393980 533480171 /nfs/dbraw/zinc/48/01/71/533480171.db2.gz ZTQNUHMRFCVJLI-SECBINFHSA-N 0 0 391.251 3.438 40 0 GGABRN COC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O ZINC000408548173 533502065 /nfs/dbraw/zinc/50/20/65/533502065.db2.gz DPFCFODMJDFGAT-NTUHNPAUSA-N 0 0 395.198 3.319 40 0 GGABRN COc1cccc(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000408706321 533596278 /nfs/dbraw/zinc/59/62/78/533596278.db2.gz AMBVNWYQYBGOGB-UHFFFAOYSA-N 0 0 380.441 3.019 40 0 GGABRN COC(=O)COc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1Cl ZINC000408582096 533563105 /nfs/dbraw/zinc/56/31/05/533563105.db2.gz BLBPPMWOJITNRR-UHFFFAOYSA-N 0 0 389.901 3.283 40 0 GGABRN COC(=O)COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000409114132 533563155 /nfs/dbraw/zinc/56/31/55/533563155.db2.gz CNZMSLLOHTUADM-UHFFFAOYSA-N 0 0 390.244 3.346 40 0 GGABRN COc1cccc(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)c1 ZINC000408596252 533620291 /nfs/dbraw/zinc/62/02/91/533620291.db2.gz RWEGXEXGKJWTEE-UHFFFAOYSA-N 0 0 377.466 3.274 40 0 GGABRN COc1cc(/C=C/C(=O)N2c3ccccc3[C@@H](C(N)=O)C[C@H]2C)cc(OC)c1 ZINC000040069811 132393786 /nfs/dbraw/zinc/39/37/86/132393786.db2.gz KBLLOPXHVCGICG-JKPFDHLOSA-N 0 0 380.444 3.111 40 0 GGABRN O=S(=O)(c1ccccc1N1CCN(c2ccccc2F)CC1)C(F)(F)F ZINC000040087329 132394561 /nfs/dbraw/zinc/39/45/61/132394561.db2.gz WBYYOPJQZXYWDJ-UHFFFAOYSA-N 0 0 388.386 3.446 40 0 GGABRN O=C(NC1CCCC1)c1ccccc1NC(=O)C1CCN(c2ncccn2)CC1 ZINC000040130273 132398529 /nfs/dbraw/zinc/39/85/29/132398529.db2.gz UZXWSLMXAYJFIY-UHFFFAOYSA-N 0 0 393.491 3.004 40 0 GGABRN O=C(Nc1ccccc1OCC(F)(F)F)C1CCN(c2ncccn2)CC1 ZINC000040132368 132398857 /nfs/dbraw/zinc/39/88/57/132398857.db2.gz RZJBFSXINQFXJN-UHFFFAOYSA-N 0 0 380.370 3.273 40 0 GGABRN C[C@H](NC(=O)c1nc(N2CCCCC2)ncc1Cl)c1nc2ccccc2[nH]1 ZINC000040135782 132399526 /nfs/dbraw/zinc/39/95/26/132399526.db2.gz LLOBCBZUCQCMPX-LBPRGKRZSA-N 0 0 384.871 3.488 40 0 GGABRN CC(=O)c1ccc(N2CCN(C(=O)CSc3ccc(O)cc3)CC2)c(F)c1 ZINC000040151917 132401020 /nfs/dbraw/zinc/40/10/20/132401020.db2.gz XUXNDXXKULKKRA-UHFFFAOYSA-N 0 0 388.464 3.175 40 0 GGABRN Cc1nnc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)s1 ZINC000049371900 132436761 /nfs/dbraw/zinc/43/67/61/132436761.db2.gz RBABCZLRMVWTKA-OAHLLOKOSA-N 0 0 380.477 3.159 40 0 GGABRN CC[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 ZINC000057670753 132454914 /nfs/dbraw/zinc/45/49/14/132454914.db2.gz RSDYPZQRHMDYNR-LJQANCHMSA-N 0 0 398.461 3.273 40 0 GGABRN CN(C)C(=O)[C@H]1CN(Cc2ccccc2Br)c2ccccc2O1 ZINC000058278310 136155154 /nfs/dbraw/zinc/15/51/54/136155154.db2.gz XZNIVSQULCJYEZ-QGZVFWFLSA-N 0 0 375.266 3.305 40 0 GGABRN Cc1ccc(N2CCC[C@@H](C(=O)Nc3ccccc3Br)C2)nn1 ZINC000090592272 136175888 /nfs/dbraw/zinc/17/58/88/136175888.db2.gz MELQPQJLVBLDFF-CYBMUJFWSA-N 0 0 375.270 3.403 40 0 GGABRN C[C@@H]1Oc2ccccc2N(CC(=O)N[C@H](c2ccccc2)c2ccccn2)C1=O ZINC000058481840 136155482 /nfs/dbraw/zinc/15/54/82/136155482.db2.gz PAQPPPOVMGKYHY-KSFYIVLOSA-N 0 0 387.439 3.101 40 0 GGABRN CC1CCC(NS(=O)(=O)CC(=O)Nc2cccc(N3CCCCC3)c2)CC1 ZINC000060379152 136155837 /nfs/dbraw/zinc/15/58/37/136155837.db2.gz DHXHPBOLTARPOQ-UHFFFAOYSA-N 0 0 393.553 3.114 40 0 GGABRN Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)c(C)c1 ZINC000062022741 136156185 /nfs/dbraw/zinc/15/61/85/136156185.db2.gz DHALJLZUZKFVCQ-KRWDZBQOSA-N 0 0 376.464 3.134 40 0 GGABRN Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 ZINC000062022759 136156259 /nfs/dbraw/zinc/15/62/59/136156259.db2.gz HXQXPYNBYPVKLY-OAHLLOKOSA-N 0 0 396.882 3.479 40 0 GGABRN O=C(Nc1cccc2cccnc21)C1CCN(c2ccc(-n3cccn3)nn2)CC1 ZINC000062022703 136156276 /nfs/dbraw/zinc/15/62/76/136156276.db2.gz GPZYKFMKEQXIQB-UHFFFAOYSA-N 0 0 399.458 3.066 40 0 GGABRN CSc1ccccc1NC(=O)[C@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 ZINC000062022863 136156391 /nfs/dbraw/zinc/15/63/91/136156391.db2.gz ZBQBNXOENVEHOT-HNNXBMFYSA-N 0 0 394.504 3.239 40 0 GGABRN Cc1cc(N2CCN(C(=O)N3CCOCC3)CC2)nc2c1cccc2C(C)C ZINC000065515258 136164234 /nfs/dbraw/zinc/16/42/34/136164234.db2.gz MRXWOXGGDUNDSD-UHFFFAOYSA-N 0 0 382.508 3.241 40 0 GGABRN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3-n3cnnc3)CC2)cc1 ZINC000072230177 136167833 /nfs/dbraw/zinc/16/78/33/136167833.db2.gz FITWKYGHBQLDQZ-UHFFFAOYSA-N 0 0 381.867 3.192 40 0 GGABRN C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2cccc(Cl)c2)C3)C[C@H](C)O1 ZINC000072347255 136168736 /nfs/dbraw/zinc/16/87/36/136168736.db2.gz DWVQWFJBHWPEOR-KBPBESRZSA-N 0 0 388.899 3.008 40 0 GGABRN Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCN(c4ccncn4)C3)n2)n1 ZINC000072360061 136169015 /nfs/dbraw/zinc/16/90/15/136169015.db2.gz JOEWJCXFQSJGMW-MRXNPFEDSA-N 0 0 376.468 3.109 40 0 GGABRN Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN(c4ncccn4)C3)n2)n1 ZINC000072360048 136169022 /nfs/dbraw/zinc/16/90/22/136169022.db2.gz LFHVMNWOWCWXIV-INIZCTEOSA-N 0 0 376.468 3.109 40 0 GGABRN Cc1nc([C@H]2CCCN(C(=O)c3cccnc3)C2)nc2c1CCCN2CC1CC1 ZINC000072380138 136169200 /nfs/dbraw/zinc/16/92/00/136169200.db2.gz UJIPBEGORGEBRI-IBGZPJMESA-N 0 0 391.519 3.362 40 0 GGABRN Cc1cccc(N2C[C@H](c3cc(=O)[nH]c(N4CCC[C@H](C)C4)n3)CC2=O)c1C ZINC000072397249 136169310 /nfs/dbraw/zinc/16/93/10/136169310.db2.gz IXXSWFWJYPTZNN-WMLDXEAASA-N 0 0 380.492 3.144 40 0 GGABRN O=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1c(F)cccc1F ZINC000077100033 136171535 /nfs/dbraw/zinc/17/15/35/136171535.db2.gz MOWCTAANISKEOE-UHFFFAOYSA-N 0 0 395.413 3.334 40 0 GGABRN O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCCCC2)nn1 ZINC000077099332 136171549 /nfs/dbraw/zinc/17/15/49/136171549.db2.gz PNAAEFFYBWNKEQ-UHFFFAOYSA-N 0 0 380.370 3.296 40 0 GGABRN O=C(Nc1ncccc1O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 ZINC000077099335 136171634 /nfs/dbraw/zinc/17/16/34/136171634.db2.gz JWGZNQMUAXJEPU-UHFFFAOYSA-N 0 0 389.459 3.289 40 0 GGABRN O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)N1CCCc2ccccc21 ZINC000077198064 136171796 /nfs/dbraw/zinc/17/17/96/136171796.db2.gz SCQRBDJVAHBXRM-UHFFFAOYSA-N 0 0 394.397 3.247 40 0 GGABRN Cc1ccc(N2CCC(C(=O)NCc3csc(-c4ccccc4)n3)CC2)nn1 ZINC000090592287 136175950 /nfs/dbraw/zinc/17/59/50/136175950.db2.gz RCFIBTFTFWPQTQ-UHFFFAOYSA-N 0 0 393.516 3.441 40 0 GGABRN Cc1ccnc(Nc2cc(N3CCN(C(=O)C4CCCC4)CC3)nc(C)n2)c1 ZINC000090607931 136176110 /nfs/dbraw/zinc/17/61/10/136176110.db2.gz GHPDHVRDTVDEEX-UHFFFAOYSA-N 0 0 380.496 3.071 40 0 GGABRN CCOC(=O)/C=C/c1ccc(NC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000048065950 136177637 /nfs/dbraw/zinc/17/76/37/136177637.db2.gz ZBCXHIWFTYKYMJ-LFYBBSHMSA-N 0 0 395.459 3.323 40 0 GGABRN Cc1cccc(NC(=O)c2cc(-c3cnc(N4CCOCC4)nc3)cn2C)c1C ZINC000096037567 136183328 /nfs/dbraw/zinc/18/33/28/136183328.db2.gz 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Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCN(c2ncnc3ccsc32)CC1 ZINC000126592339 136192470 /nfs/dbraw/zinc/19/24/70/136192470.db2.gz WMJKPNAKZQDNEB-IAGOWNOFSA-N 0 0 378.501 3.452 40 0 GGABRN Cc1cc(C)cc(-n2nnnc2SCC(=O)N2CCCc3ccccc32)c1 ZINC000001353483 136193127 /nfs/dbraw/zinc/19/31/27/136193127.db2.gz GFWJHDGHDVZERN-UHFFFAOYSA-N 0 0 379.489 3.351 40 0 GGABRN Cc1ccc(-n2nnnc2SCC(=O)N2CCCc3ccccc32)c(C)c1 ZINC000001353388 136193176 /nfs/dbraw/zinc/19/31/76/136193176.db2.gz QAOHOEZBAOHMTB-UHFFFAOYSA-N 0 0 379.489 3.351 40 0 GGABRN CC(C)OC(=O)CN1c2cc(C(=O)Nc3ccccc3)ccc2OC(C)(C)C1=O ZINC000001342383 136193189 /nfs/dbraw/zinc/19/31/89/136193189.db2.gz SBDMJSVIQSFCIT-UHFFFAOYSA-N 0 0 396.443 3.395 40 0 GGABRN Cc1sc2nc(C)nc(N3CCN(C(=O)COc4ccccc4)CC3)c2c1C ZINC000001377226 136193279 /nfs/dbraw/zinc/19/32/79/136193279.db2.gz NEHQTFATPCCYGV-UHFFFAOYSA-N 0 0 396.516 3.344 40 0 GGABRN O=C([C@H]1COc2ccccc2O1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000003551900 136193704 /nfs/dbraw/zinc/19/37/04/136193704.db2.gz 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CCOc1c(Cl)cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1OC ZINC000409102050 528167815 /nfs/dbraw/zinc/16/78/15/528167815.db2.gz UPPCDCDFXGDPFC-TVNQGELYSA-N 0 0 399.852 3.345 40 0 GGABRN CCCN1C(=O)N/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)C1=O ZINC000409238174 528174681 /nfs/dbraw/zinc/17/46/81/528174681.db2.gz LXULGNZCHYGHDW-SFQUDFHCSA-N 0 0 397.406 3.146 40 0 GGABRN CCCN1C(=O)N/C(=C/c2cc(OCC)c(OC)cc2Br)C1=O ZINC000409246725 528175168 /nfs/dbraw/zinc/17/51/68/528175168.db2.gz CYFJNUXWPPZFJT-KPKJPENVSA-N 0 0 383.242 3.159 40 0 GGABRN CC(C)COc1ccccc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O ZINC000408599968 528180227 /nfs/dbraw/zinc/18/02/27/528180227.db2.gz PUVRTOQNUNFKGQ-GZTJUZNOSA-N 0 0 388.489 3.380 40 0 GGABRN CCOC(=O)c1cc(NC(=O)COc2ccc(C=O)cc2OC)ccc1Cl ZINC000408600028 528181088 /nfs/dbraw/zinc/18/10/88/528181088.db2.gz RJBKNJKFWKLPAA-UHFFFAOYSA-N 0 0 391.807 3.355 40 0 GGABRN CCCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000006597077 528192024 /nfs/dbraw/zinc/19/20/24/528192024.db2.gz 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ZINC000408696346 528375427 /nfs/dbraw/zinc/37/54/27/528375427.db2.gz ACFUQRQPMPUSJF-UHFFFAOYSA-N 0 0 376.478 3.253 40 0 GGABRN CCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000113933478 528384945 /nfs/dbraw/zinc/38/49/45/528384945.db2.gz XEWKQFJHWZXUQI-UHFFFAOYSA-N 0 0 392.546 3.438 40 0 GGABRN CCCNC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000409054745 528385036 /nfs/dbraw/zinc/38/50/36/528385036.db2.gz NOUFFEXBMKBIIX-UHFFFAOYSA-N 0 0 380.897 3.057 40 0 GGABRN CCCNC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 ZINC000409118782 528385261 /nfs/dbraw/zinc/38/52/61/528385261.db2.gz QUFNCKURCYARRS-UHFFFAOYSA-N 0 0 380.897 3.370 40 0 GGABRN CCCNC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 ZINC000409127948 528385391 /nfs/dbraw/zinc/38/53/91/528385391.db2.gz HEDAGZOATQWEIP-UHFFFAOYSA-N 0 0 390.505 3.115 40 0 GGABRN CCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000113933192 528385520 /nfs/dbraw/zinc/38/55/20/528385520.db2.gz HPCQJVIFHQTIFG-UHFFFAOYSA-N 0 0 390.505 3.115 40 0 GGABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)COc2ccc(CC)cc2)cc1 ZINC000006388116 528392196 /nfs/dbraw/zinc/39/21/96/528392196.db2.gz FBRUQFYBJCTUQC-UHFFFAOYSA-N 0 0 385.489 3.490 40 0 GGABRN CCOC(=O)c1sc2ncn(CC(=O)Nc3c(C)cccc3C)c(=O)c2c1C ZINC000028828671 528403181 /nfs/dbraw/zinc/40/31/81/528403181.db2.gz NUTCLEYEEOXADZ-UHFFFAOYSA-N 0 0 399.472 3.199 40 0 GGABRN CCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl ZINC000408591317 528406359 /nfs/dbraw/zinc/40/63/59/528406359.db2.gz KZULHEAXBYWSIZ-UHFFFAOYSA-N 0 0 382.869 3.046 40 0 GGABRN CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1S(=O)(=O)NC(C)C ZINC000408700714 528406409 /nfs/dbraw/zinc/40/64/09/528406409.db2.gz KTOKJPBUSQITFO-UHFFFAOYSA-N 0 0 376.478 3.333 40 0 GGABRN CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1S(=O)(=O)NC(C)C ZINC000408700873 528406988 /nfs/dbraw/zinc/40/69/88/528406988.db2.gz NKDRXRLOTYOMRU-UHFFFAOYSA-N 0 0 398.431 3.303 40 0 GGABRN CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1S(=O)(=O)N1CCCC1 ZINC000408696685 528408512 /nfs/dbraw/zinc/40/85/12/528408512.db2.gz DNBBLYZGEPHJPY-UHFFFAOYSA-N 0 0 392.452 3.261 40 0 GGABRN CCCNC(=O)c1cc(I)c(OCC)c(OCC)c1 ZINC000409376550 528443054 /nfs/dbraw/zinc/44/30/54/528443054.db2.gz ZFNUFKAZTBSMNG-UHFFFAOYSA-N 0 0 377.222 3.228 40 0 GGABRN CCCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2Cl)ccc1C ZINC000408610746 528444105 /nfs/dbraw/zinc/44/41/05/528444105.db2.gz VOIHHKYOEBYWIZ-UHFFFAOYSA-N 0 0 380.897 3.267 40 0 GGABRN CCOc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cc1 ZINC000408708847 528451912 /nfs/dbraw/zinc/45/19/12/528451912.db2.gz UMNKXXZLHITZGI-QGZVFWFLSA-N 0 0 382.460 3.153 40 0 GGABRN CCCCNC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000409054919 528503265 /nfs/dbraw/zinc/50/32/65/528503265.db2.gz OLJPCPSYWWSKIC-UHFFFAOYSA-N 0 0 388.533 3.411 40 0 GGABRN CCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1cc(C)ccc1OC ZINC000409390044 528504111 /nfs/dbraw/zinc/50/41/11/528504111.db2.gz UAFSZPKXLGQXTG-UHFFFAOYSA-N 0 0 390.505 3.115 40 0 GGABRN CCCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000113933841 528504438 /nfs/dbraw/zinc/50/44/38/528504438.db2.gz BHZFAVLUSSQZJT-UHFFFAOYSA-N 0 0 390.505 3.115 40 0 GGABRN CCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409135098 528505128 /nfs/dbraw/zinc/50/51/28/528505128.db2.gz PSQXTNMPBJUKRN-UHFFFAOYSA-N 0 0 380.897 3.452 40 0 GGABRN CCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C ZINC000408679262 528509862 /nfs/dbraw/zinc/50/98/62/528509862.db2.gz VRIHEPNAZYPJGX-UHFFFAOYSA-N 0 0 394.468 3.230 40 0 GGABRN CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C(C)C)ccc2OC)C1 ZINC000408700839 528542571 /nfs/dbraw/zinc/54/25/71/528542571.db2.gz MUIGEMGNIZHYRZ-KRWDZBQOSA-N 0 0 396.553 3.136 40 0 GGABRN CCCCNC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000010363512 528551056 /nfs/dbraw/zinc/55/10/56/528551056.db2.gz VPNWEGTZOSSJQM-UHFFFAOYSA-N 0 0 378.469 3.322 40 0 GGABRN CCCCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2F)c1 ZINC000408552531 528554419 /nfs/dbraw/zinc/55/44/19/528554419.db2.gz QNOSIPYWLGRZBU-UHFFFAOYSA-N 0 0 380.441 3.165 40 0 GGABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 ZINC000408535736 528554640 /nfs/dbraw/zinc/55/46/40/528554640.db2.gz WEKDKUJCYPXHJC-UHFFFAOYSA-N 0 0 390.505 3.399 40 0 GGABRN CCCCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)cc2)c1 ZINC000408559725 528554659 /nfs/dbraw/zinc/55/46/59/528554659.db2.gz XYIKFEAHAXDREM-UHFFFAOYSA-N 0 0 376.478 3.334 40 0 GGABRN CCCc1c(C(=O)OCC)nnc2c(-c3ccc(OC)c(OC)c3)c(C)nn21 ZINC000014164787 528559276 /nfs/dbraw/zinc/55/92/76/528559276.db2.gz QAFRWXRBPZKUKV-UHFFFAOYSA-N 0 0 384.436 3.246 40 0 GGABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2ccccc2)cc1 ZINC000408927178 528574265 /nfs/dbraw/zinc/57/42/65/528574265.db2.gz YNMYRMLILDOTCI-UHFFFAOYSA-N 0 0 390.505 3.053 40 0 GGABRN CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl ZINC000408588990 528577775 /nfs/dbraw/zinc/57/77/75/528577775.db2.gz DJKCRSPFCBGCRZ-UHFFFAOYSA-N 0 0 398.887 3.389 40 0 GGABRN CCOc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1Cl ZINC000408596806 528581711 /nfs/dbraw/zinc/58/17/11/528581711.db2.gz SHLPGFUVTNYSAY-UHFFFAOYSA-N 0 0 399.896 3.277 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000408591045 528583142 /nfs/dbraw/zinc/58/31/42/528583142.db2.gz IAQGYHFILOMTHU-HNNXBMFYSA-N 0 0 376.478 3.008 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000408590365 528583217 /nfs/dbraw/zinc/58/32/17/528583217.db2.gz GIXNCSLHHOPXCF-LBPRGKRZSA-N 0 0 382.869 3.044 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(C)c2C)cc1C ZINC000408608083 528583310 /nfs/dbraw/zinc/58/33/10/528583310.db2.gz OKNGRDUSIJTNTN-INIZCTEOSA-N 0 0 390.505 3.316 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2C)cc1Cl ZINC000408597256 528583322 /nfs/dbraw/zinc/58/33/22/528583322.db2.gz UOLVWPMWJCJXSC-ZDUSSCGKSA-N 0 0 396.896 3.353 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000408598276 528583366 /nfs/dbraw/zinc/58/33/66/528583366.db2.gz YRPAQULMVDOGLS-HNNXBMFYSA-N 0 0 376.478 3.008 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2)cc1Cl ZINC000408592990 528583439 /nfs/dbraw/zinc/58/34/39/528583439.db2.gz LJXUIQLUHNXMOI-LBPRGKRZSA-N 0 0 382.869 3.044 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000408592968 528583586 /nfs/dbraw/zinc/58/35/86/528583586.db2.gz LGCARZZTIXZVRA-ZDUSSCGKSA-N 0 0 396.896 3.353 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCCCCC2)cc1C ZINC000408612255 528585463 /nfs/dbraw/zinc/58/54/63/528585463.db2.gz YAAWMYQXINIOHB-MRXNPFEDSA-N 0 0 396.553 3.290 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000408591682 528585472 /nfs/dbraw/zinc/58/54/72/528585472.db2.gz JBXCOTIDZORKSH-MRXNPFEDSA-N 0 0 390.505 3.316 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000408591047 528585575 /nfs/dbraw/zinc/58/55/75/528585575.db2.gz IAQGYHFILOMTHU-OAHLLOKOSA-N 0 0 376.478 3.008 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2c(C)cccc2CC)cc1 ZINC000408597951 528585591 /nfs/dbraw/zinc/58/55/91/528585591.db2.gz WYHVBKMLGYEWQW-OAHLLOKOSA-N 0 0 390.505 3.262 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCC2=CCCCC2)cc1C ZINC000408612870 528585889 /nfs/dbraw/zinc/58/58/89/528585889.db2.gz ZBKXSNNJVAGQTO-MRXNPFEDSA-N 0 0 394.537 3.067 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000408598277 528585940 /nfs/dbraw/zinc/58/59/40/528585940.db2.gz YRPAQULMVDOGLS-OAHLLOKOSA-N 0 0 376.478 3.008 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000408592967 528586062 /nfs/dbraw/zinc/58/60/62/528586062.db2.gz LGCARZZTIXZVRA-CYBMUJFWSA-N 0 0 396.896 3.353 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@H](C)CC)cc1NC(=O)c1ccccc1 ZINC000408559728 528586175 /nfs/dbraw/zinc/58/61/75/528586175.db2.gz YAQFHDIAMWAVNK-CQSZACIVSA-N 0 0 376.478 3.414 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1C ZINC000408607713 528586334 /nfs/dbraw/zinc/58/63/34/528586334.db2.gz NUWBLHDDXVKEQC-CYBMUJFWSA-N 0 0 396.896 3.353 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(C)c2)cc1C ZINC000408605454 528586501 /nfs/dbraw/zinc/58/65/01/528586501.db2.gz KFTLSIBLDNRBPB-OAHLLOKOSA-N 0 0 376.478 3.008 40 0 GGABRN CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)N(CC)CC)cc1Cl ZINC000408606474 528609439 /nfs/dbraw/zinc/60/94/39/528609439.db2.gz HZLGSFBVOPNGJE-MRXNPFEDSA-N 0 0 381.929 3.400 40 0 GGABRN CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)c2ccc(C)c(C)c2)CC1=O ZINC000408655040 528739158 /nfs/dbraw/zinc/73/91/58/528739158.db2.gz RDNVWHNNHOCERY-GOSISDBHSA-N 0 0 395.455 3.481 40 0 GGABRN CCC[C@@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408595215 528899139 /nfs/dbraw/zinc/89/91/39/528899139.db2.gz UIJOVCSBCMFFAE-CVEARBPZSA-N 0 0 396.553 3.370 40 0 GGABRN CCC[C@@H](C)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408595219 528899468 /nfs/dbraw/zinc/89/94/68/528899468.db2.gz UIJOVCSBCMFFAE-HZPDHXFCSA-N 0 0 396.553 3.370 40 0 GGABRN CCN(C(=O)CN1c2ccc(Br)cc2C(=O)C1=O)c1ccccc1 ZINC000408546301 528957930 /nfs/dbraw/zinc/95/79/30/528957930.db2.gz GGIKORSDVRWQOD-UHFFFAOYSA-N 0 0 387.233 3.032 40 0 GGABRN CCCCc1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC)cc2)cc1 ZINC000408597604 529027031 /nfs/dbraw/zinc/02/70/31/529027031.db2.gz VKWZHHOJFSGIIC-HNNXBMFYSA-N 0 0 390.505 3.343 40 0 GGABRN CCOC(=O)Nc1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1OC ZINC000408586703 529106387 /nfs/dbraw/zinc/10/63/87/529106387.db2.gz PUHYRKBMTQDUHN-UHFFFAOYSA-N 0 0 378.450 3.084 40 0 GGABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2cccc(OC)c2)ccc1OCC ZINC000408585343 529107812 /nfs/dbraw/zinc/10/78/12/529107812.db2.gz FEDMWVAJEWBPQW-UHFFFAOYSA-N 0 0 394.449 3.463 40 0 GGABRN CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1 ZINC000408585300 529113206 /nfs/dbraw/zinc/11/32/06/529113206.db2.gz CSXBPVOAJJKLEQ-UHFFFAOYSA-N 0 0 377.422 3.014 40 0 GGABRN CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000408594409 529145747 /nfs/dbraw/zinc/14/57/47/529145747.db2.gz RMHAWWRFZLSJKG-CYBMUJFWSA-N 0 0 396.896 3.433 40 0 GGABRN CC[C@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1cc(C)ccc1OC ZINC000409387424 529155182 /nfs/dbraw/zinc/15/51/82/529155182.db2.gz AXYWJQSRXAQSBK-INIZCTEOSA-N 0 0 390.505 3.114 40 0 GGABRN CC[C@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409024406 529155523 /nfs/dbraw/zinc/15/55/23/529155523.db2.gz KWWCACUJPHLBPM-AWEZNQCLSA-N 0 0 380.897 3.450 40 0 GGABRN CCc1cccc(C)c1NC(=O)[C@@H](C)NS(=O)(=O)c1cc(C)ccc1OC ZINC000408555925 529158976 /nfs/dbraw/zinc/15/89/76/529158976.db2.gz XRJPDNJPQXBRLG-OAHLLOKOSA-N 0 0 390.505 3.180 40 0 GGABRN CC[C@H](C)NC(=O)COc1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1 ZINC000013584868 529160237 /nfs/dbraw/zinc/16/02/37/529160237.db2.gz NWVZCHULUWJPLD-INIZCTEOSA-N 0 0 390.505 3.195 40 0 GGABRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2c(F)cccc2F)cc1 ZINC000409195543 529181355 /nfs/dbraw/zinc/18/13/55/529181355.db2.gz IXYQKJDJBAIEMQ-LBPRGKRZSA-N 0 0 398.431 3.059 40 0 GGABRN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)OC)C2=O)cc1OC ZINC000106742308 529192029 /nfs/dbraw/zinc/19/20/29/529192029.db2.gz RMMCCLCBCYZBSH-GPILYODUSA-N 0 0 379.434 3.082 40 0 GGABRN CC[C@@H](C)NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000409060429 529361608 /nfs/dbraw/zinc/36/16/08/529361608.db2.gz VBSCWTJCQNVKSE-MRXNPFEDSA-N 0 0 392.496 3.240 40 0 GGABRN CC(C)[C@H](c1nnnn1CCc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000013505434 535169446 /nfs/dbraw/zinc/16/94/46/535169446.db2.gz XNMHDGCLGGICEW-JOCHJYFZSA-N 0 0 390.535 3.435 40 0 GGABRN CCOc1ccc2nc(NC(=O)CCN3C(=O)COc4ccccc43)sc2c1 ZINC000008061925 535444460 /nfs/dbraw/zinc/44/44/60/535444460.db2.gz QMMGEOPJTPPJTF-UHFFFAOYSA-N 0 0 397.456 3.449 40 0 GGABRN CCOc1ccc(C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1OC ZINC000016103365 535700571 /nfs/dbraw/zinc/70/05/71/535700571.db2.gz JWZCEHXFSHIOMG-UHFFFAOYSA-N 0 0 398.507 3.278 40 0 GGABRN CCn1c(S[C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)nnc1C1CC1 ZINC000007841334 535998515 /nfs/dbraw/zinc/99/85/15/535998515.db2.gz ZNCUDPMPYTVAOS-GFCCVEGCSA-N 0 0 399.520 3.420 40 0 GGABRN CN(Cc1ccccc1F)C(=O)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000224513328 536482751 /nfs/dbraw/zinc/48/27/51/536482751.db2.gz VHUVVJWYCHLHHI-UHFFFAOYSA-N 0 0 376.453 3.028 40 0 GGABRN COc1ccc([C@H](C)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 ZINC000222588501 536898023 /nfs/dbraw/zinc/89/80/23/536898023.db2.gz IPYVXLSJDKGCBZ-HNNXBMFYSA-N 0 0 388.489 3.116 40 0 GGABRN COc1ccc([C@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)OC3)cc1OC ZINC000004944667 536936921 /nfs/dbraw/zinc/93/69/21/536936921.db2.gz HLNBJXYAXAKOST-OAHLLOKOSA-N 0 0 383.375 3.174 40 0 GGABRN COc1ccc2c(c1)CCCN2C(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 ZINC000040017440 536969502 /nfs/dbraw/zinc/96/95/02/536969502.db2.gz YZXMOFZAEJDOHY-LJQANCHMSA-N 0 0 378.472 3.332 40 0 GGABRN COc1ccc2c(c1)CCCN2C(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1 ZINC000040017441 536969834 /nfs/dbraw/zinc/96/98/34/536969834.db2.gz YZXMOFZAEJDOHY-IBGZPJMESA-N 0 0 378.472 3.332 40 0 GGABRN COc1cccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000006551787 537123823 /nfs/dbraw/zinc/12/38/23/537123823.db2.gz SUNFHCGZESCAGE-UHFFFAOYSA-N 0 0 382.485 3.359 40 0 GGABRN COc1cccc(NC(=O)[C@@H](C)N2CCN(c3ccc(C(C)=O)cc3)CC2)c1 ZINC000057943065 537128868 /nfs/dbraw/zinc/12/88/68/537128868.db2.gz ZQQKYHWTZUQRRX-MRXNPFEDSA-N 0 0 381.476 3.047 40 0 GGABRN CC(C)(C)CC(=O)N1CCN2[C@@H](C1)CN(C(=O)c1ccccc1F)CC2(C)C ZINC000253407101 560040069 /nfs/dbraw/zinc/04/00/69/560040069.db2.gz VPGTXNNBYNHIJO-INIZCTEOSA-N 0 0 389.515 3.009 40 0 biogenic,in-vitro GGABRN CCC(CC)C(=O)N1CCN2[C@@H](C1)CN(C(=O)c1ccccc1F)CC2(C)C ZINC000253401290 560040218 /nfs/dbraw/zinc/04/02/18/560040218.db2.gz MRVRVAJJHCJNOP-KRWDZBQOSA-N 0 0 389.515 3.009 40 0 biogenic,in-vitro GGABRN CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(Cc3ccc(F)cc3)CCN21 ZINC000253398802 560040499 /nfs/dbraw/zinc/04/04/99/560040499.db2.gz HOSHGJWZVZASBG-NRFANRHFSA-N 0 0 381.495 3.247 40 0 biogenic,in-vitro GGABRN O=C(NC[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O)c1ccccc1 ZINC000077262811 560046837 /nfs/dbraw/zinc/04/68/37/560046837.db2.gz YNSJHBJTCSDWNJ-JAXLGGSGSA-N 0 0 392.455 3.223 40 0 biogenic,in-vitro GGABRN COc1cc2c(c(OC)c1OC)OC[C@@H]1c3cc(O)c(OC)c(OC)c3O[C@H]21 ZINC000067913457 560049349 /nfs/dbraw/zinc/04/93/49/560049349.db2.gz YBVIOLRRXMAGAE-BXUZGUMPSA-N 0 0 390.388 3.045 40 0 biogenic,in-vitro GGABRN CS(=O)(=O)c1ccc(CN2CCOC[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1 ZINC000067898646 560049715 /nfs/dbraw/zinc/04/97/15/560049715.db2.gz YRWJUYSXLJWREA-FQEVSTJZSA-N 0 0 397.500 3.054 40 0 biogenic,in-vitro GGABRN Fc1ccc(-c2cc(CC3(NCc4cccc5c4OCO5)COC3)no2)cc1 ZINC000067897878 560050291 /nfs/dbraw/zinc/05/02/91/560050291.db2.gz FYDSOLNGPWGIOC-UHFFFAOYSA-N 0 0 382.391 3.311 40 0 biogenic,in-vitro GGABRN CN(C)c1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccc(C(=O)[O-])cc4)C3)o2)cc1 ZINC000049170183 560084640 /nfs/dbraw/zinc/08/46/40/560084640.db2.gz DCSFYIQKUUKDBQ-SFHVURJKSA-N 0 0 392.459 3.490 40 0 biogenic,in-vitro GGABRN CC[NH+](CC)CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)[O-] ZINC000020462913 560093171 /nfs/dbraw/zinc/09/31/71/560093171.db2.gz DKRXLHKZVGTABP-HOCLYGCPSA-N 0 0 381.904 3.020 40 0 biogenic,in-vitro GGABRN COc1ccccc1-c1nc(CSc2nc3c(nc(C)[nH]c3=O)n2C)c(C)o1 ZINC000019625909 560094235 /nfs/dbraw/zinc/09/42/35/560094235.db2.gz BSVSUGNFDMUUNM-UHFFFAOYSA-N 0 0 397.460 3.229 40 0 biogenic,in-vitro GGABRN CC[C@@H](Sc1nc2c(nc[nH]c2=O)n1C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000019625780 560094268 /nfs/dbraw/zinc/09/42/68/560094268.db2.gz LBBHWQWQLGTRIC-CQSZACIVSA-N 0 0 385.493 3.289 40 0 biogenic,in-vitro GGABRN COc1ccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3C(=O)c3ccco3)n2)cc1 ZINC000015675968 560094634 /nfs/dbraw/zinc/09/46/34/560094634.db2.gz HMOJGYXICPJPNC-INIZCTEOSA-N 0 0 391.387 3.001 40 0 biogenic,in-vitro GGABRN O=C(Nc1ccccc1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccncc2)no1 ZINC000015675912 560094863 /nfs/dbraw/zinc/09/48/63/560094863.db2.gz BYEMTQOCNZCLMG-KRWDZBQOSA-N 0 0 387.403 3.186 40 0 biogenic,in-vitro GGABRN CCc1cc2c(cc1CC)CC([NH2+]C[C@@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 ZINC000000590240 560178303 /nfs/dbraw/zinc/17/83/03/560178303.db2.gz QZZUEBNBZAPZLX-JOCHJYFZSA-N 0 0 392.499 3.149 40 0 in-vitro GGABRN CCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@@H]1c1ccc(F)cc1F ZINC000000658551 560178569 /nfs/dbraw/zinc/17/85/69/560178569.db2.gz CUESTXISHWZOQU-HNNXBMFYSA-N 0 0 399.349 3.329 40 0 biogenic,in-vitro GGABRN C/C=C(/C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc32)OC(C)(C)[C@H]1OC(C)=O ZINC000000898337 560179188 /nfs/dbraw/zinc/17/91/88/560179188.db2.gz LYUZYPKZQDYMEE-NXIDYTHLSA-N 0 0 386.400 3.446 40 0 biogenic,in-vitro GGABRN COCCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3ccc(Cl)cc3)c12 ZINC000004237389 560197747 /nfs/dbraw/zinc/19/77/47/560197747.db2.gz JVQOBXNMYROURK-GOEBONIOSA-N 0 0 386.879 3.151 40 0 biogenic,in-vitro GGABRN COCCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(-c2ccc(SC)cc2)c1=O ZINC000004237197 560197762 /nfs/dbraw/zinc/19/77/62/560197762.db2.gz MOJORYQGUSRLJX-DOTOQJQBSA-N 0 0 398.528 3.219 40 0 biogenic,in-vitro GGABRN COc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)c4ccco4)C2)C3)cc1 ZINC000004237357 560197783 /nfs/dbraw/zinc/19/77/83/560197783.db2.gz YUYCVMPXCKQRHO-DOTOQJQBSA-N 0 0 390.439 3.376 40 0 biogenic,in-vitro GGABRN CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)NCCSC ZINC000005415468 560201847 /nfs/dbraw/zinc/20/18/47/560201847.db2.gz ILUGZWMYMQZWLW-HOTGVXAUSA-N 0 0 393.553 3.445 40 0 biogenic,in-vitro GGABRN COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)Nc4ccccc4)CN3C)n2)cc1 ZINC000012529925 560212852 /nfs/dbraw/zinc/21/28/52/560212852.db2.gz MCXHSOGIOSLXGK-WMZOPIPTSA-N 0 0 393.447 3.312 40 0 biogenic,in-vitro GGABRN COc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(F)cc4)no3)N(C)C2)cc1 ZINC000012529950 560212933 /nfs/dbraw/zinc/21/29/33/560212933.db2.gz NCIPKONLXUIKIR-WMZOPIPTSA-N 0 0 396.422 3.060 40 0 biogenic,in-vitro GGABRN Cc1nc2sc3c(c2c(SCC(=O)NC[C@@H]2CCCO2)n1)CCCC3 ZINC000000783254 564179784 /nfs/dbraw/zinc/17/97/84/564179784.db2.gz QTZTWECOTBQMCG-LBPRGKRZSA-N 0 0 377.535 3.266 40 0 GGABRN O=C(Nc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000000796824 564179840 /nfs/dbraw/zinc/17/98/40/564179840.db2.gz WKKGOLGSJWNEJH-CQSZACIVSA-N 0 0 378.881 3.379 40 0 GGABRN CC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(C)cc2)cc1 ZINC000000800841 564179849 /nfs/dbraw/zinc/17/98/49/564179849.db2.gz DLXSTEDPCGWODW-SFHVURJKSA-N 0 0 376.503 3.390 40 0 GGABRN O=C(Nc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000000796822 564180078 /nfs/dbraw/zinc/18/00/78/564180078.db2.gz WKKGOLGSJWNEJH-AWEZNQCLSA-N 0 0 378.881 3.379 40 0 GGABRN NC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000000794314 564180125 /nfs/dbraw/zinc/18/01/25/564180125.db2.gz AEGNKZVLAZUIHW-GFCCVEGCSA-N 0 0 379.243 3.411 40 0 GGABRN Cc1sc2nc(SCC(N)=O)n(-c3cccc(Cl)c3)c(=O)c2c1C ZINC000000649729 564180283 /nfs/dbraw/zinc/18/02/83/564180283.db2.gz GRGCKLDOSPHQRZ-UHFFFAOYSA-N 0 0 379.894 3.295 40 0 GGABRN COc1ccccc1-n1nnnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000000907193 564180912 /nfs/dbraw/zinc/18/09/12/564180912.db2.gz FZYWZNFRJXFNFU-UHFFFAOYSA-N 0 0 375.841 3.055 40 0 GGABRN Cn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(Br)cc1 ZINC000000892145 564181620 /nfs/dbraw/zinc/18/16/20/564181620.db2.gz YWQJBWGXUYIIFM-UHFFFAOYSA-N 0 0 395.326 3.349 40 0 GGABRN CCOC(=O)CSc1nnc(CNc2cc(Cl)ccc2Cl)n1C ZINC000000976309 564182095 /nfs/dbraw/zinc/18/20/95/564182095.db2.gz DRXFSQXASFXPAI-UHFFFAOYSA-N 0 0 375.281 3.389 40 0 GGABRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(Cl)c(O)c(OC)c2)C1=O ZINC000000980996 564182359 /nfs/dbraw/zinc/18/23/59/564182359.db2.gz KAYQHVXSMKKGDP-HLPMDPMVSA-N 0 0 385.825 3.042 40 0 GGABRN Nc1ncc(-c2nnnn2-c2ccc(Br)cc2)c(-c2ccccc2)n1 ZINC000001038995 564182530 /nfs/dbraw/zinc/18/25/30/564182530.db2.gz GMFDLLOGLGGWND-UHFFFAOYSA-N 0 0 394.236 3.131 40 0 GGABRN O=C1C[C@H](Sc2nc(-c3cccs3)cc(C(F)(F)F)n2)[C@@H]2CO[C@H]1O2 ZINC000001089596 564183233 /nfs/dbraw/zinc/18/32/33/564183233.db2.gz IJLZWHNNJXHORO-GAFUQQFSSA-N 0 0 388.392 3.399 40 0 GGABRN O=C1[C@H](Cc2c(Cl)cccc2Cl)Sc2nnc(-c3cnccn3)n21 ZINC000001099549 564183728 /nfs/dbraw/zinc/18/37/28/564183728.db2.gz RETNVBUGAJJYPL-LBPRGKRZSA-N 0 0 378.244 3.399 40 0 GGABRN O=C1COc2c(Br)c(Br)c(Br)cc2O1 ZINC000001087625 564183752 /nfs/dbraw/zinc/18/37/52/564183752.db2.gz PVHIXEXYVSAWMJ-UHFFFAOYSA-N 0 0 386.821 3.272 40 0 GGABRN COc1ccc(NC(=O)CSc2nnc(NC(=O)C3CCC3)s2)cc1 ZINC000001381657 564185258 /nfs/dbraw/zinc/18/52/58/564185258.db2.gz YCPDNROWRLXWEU-UHFFFAOYSA-N 0 0 378.479 3.016 40 0 GGABRN O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2)C1CC1 ZINC000001501555 564185330 /nfs/dbraw/zinc/18/53/30/564185330.db2.gz YAPRAWYHSYLRBF-UHFFFAOYSA-N 0 0 376.865 3.440 40 0 GGABRN CC(C)c1nc2sc3c(c2c2nnc(SCC(N)=O)n21)CC[C@H](C)C3 ZINC000001376514 564185337 /nfs/dbraw/zinc/18/53/37/564185337.db2.gz JAKBWVQZEIZPKN-VIFPVBQESA-N 0 0 375.523 3.165 40 0 GGABRN CC[C@H](C)C(=O)Nc1nnc(SCC(=O)Nc2ccc(OC)cc2)s1 ZINC000001381659 564185369 /nfs/dbraw/zinc/18/53/69/564185369.db2.gz IKZUCYRLTKOJRE-JTQLQIEISA-N 0 0 380.495 3.262 40 0 GGABRN CC[C@@H](C)C(=O)Nc1nnc(SCC(=O)Nc2ccccc2OC)s1 ZINC000001371409 564185486 /nfs/dbraw/zinc/18/54/86/564185486.db2.gz NWWDRTQGUGNSMI-SNVBAGLBSA-N 0 0 380.495 3.262 40 0 GGABRN CC(C)C(=O)Nc1nnc(SCC(=O)N2c3ccccc3C[C@@H]2C)s1 ZINC000001381538 564185500 /nfs/dbraw/zinc/18/55/00/564185500.db2.gz 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CCOc1ccccc1CNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000020454912 564306315 /nfs/dbraw/zinc/30/63/15/564306315.db2.gz BHVYSEAFMTYEGT-UHFFFAOYSA-N 0 0 382.869 3.040 40 0 GGABRN CCOc1cccc(CNS(=O)(=O)c2ccc(Br)s2)c1 ZINC000020459126 564306712 /nfs/dbraw/zinc/30/67/12/564306712.db2.gz FQRCFRGEPHXMGZ-UHFFFAOYSA-N 0 0 376.297 3.388 40 0 GGABRN CC(C)OC(=O)c1ccc2[nH]c(=NC(=S)NC(=O)C(C)(C)C)sc2c1 ZINC000020411900 564307103 /nfs/dbraw/zinc/30/71/03/564307103.db2.gz PTUFIDJPGQYGEW-UHFFFAOYSA-N 0 0 379.507 3.143 40 0 GGABRN Cc1sc2ncc(C(=O)Nc3cccc(Br)c3)c(=O)n2c1C ZINC000020767622 564307599 /nfs/dbraw/zinc/30/75/99/564307599.db2.gz FRDGZDONZHCBHX-UHFFFAOYSA-N 0 0 378.251 3.388 40 0 GGABRN Cc1cc(NC(=O)Cn2nc3c(cc2=O)C[C@@H](C)CC3)ccc1Br ZINC000021110671 564309313 /nfs/dbraw/zinc/30/93/13/564309313.db2.gz GBLASSHZCTZQJS-NSHDSACASA-N 0 0 390.281 3.078 40 0 GGABRN CC[C@@H](NC(=O)c1nc(-n2cnnc2)ccc1Br)c1ccccc1 ZINC000021721260 564311999 /nfs/dbraw/zinc/31/19/99/564311999.db2.gz QNZVQLFFPRWRKD-CQSZACIVSA-N 0 0 386.253 3.306 40 0 GGABRN O=C(c1ccccc1)N1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000021916111 564312984 /nfs/dbraw/zinc/31/29/84/564312984.db2.gz YCEVXYNQYGTJJI-UHFFFAOYSA-N 0 0 391.240 3.186 40 0 GGABRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCO[C@H](C)C1 ZINC000022131287 564313851 /nfs/dbraw/zinc/31/38/51/564313851.db2.gz IIKDLLOKMFVFHR-WBMJQRKESA-N 0 0 387.307 3.385 40 0 GGABRN Cc1cc(C(=O)Cn2cc(Br)ccc2=O)c(C)n1-c1nccs1 ZINC000022142169 564314312 /nfs/dbraw/zinc/31/43/12/564314312.db2.gz RTBSQFKMCFSVIY-UHFFFAOYSA-N 0 0 392.278 3.358 40 0 GGABRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCO[C@@H](C)C1 ZINC000022131285 564314376 /nfs/dbraw/zinc/31/43/76/564314376.db2.gz IIKDLLOKMFVFHR-LRDDRELGSA-N 0 0 387.307 3.385 40 0 GGABRN COc1cc(Cl)c(C)cc1NC(=O)Cc1sc(N2CCCC2)nc1O ZINC000022195224 564314983 /nfs/dbraw/zinc/31/49/83/564314983.db2.gz MVYKSZCAZHJOQV-CQSZACIVSA-N 0 0 381.885 3.079 40 0 GGABRN O=S(=O)(NCCOc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000022276860 564315360 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ZINC000025064653 570405167 /nfs/dbraw/zinc/40/51/67/570405167.db2.gz MPNVOWYKFYOXJA-MRXNPFEDSA-N 0 0 386.517 3.063 40 0 GGABRN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)N2CCCCC2)cc1 ZINC000006406123 570406171 /nfs/dbraw/zinc/40/61/71/570406171.db2.gz LHMSIOPVCHUMCJ-PUHATCMVSA-N 0 0 386.536 3.376 40 0 biogenic GGABRN COc1cc(SC)ccc1C(=O)OCC(=O)Nc1cccc2nsnc21 ZINC000019077747 570406424 /nfs/dbraw/zinc/40/64/24/570406424.db2.gz BLEKXGWNGZNYOJ-UHFFFAOYSA-N 0 0 389.458 3.217 40 0 GGABRN COc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000018113539 570406445 /nfs/dbraw/zinc/40/64/45/570406445.db2.gz OROFGIKNGNBXRI-IRXDYDNUSA-N 0 0 376.412 3.403 40 0 GGABRN COc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2cc(C)ccc2O)C1=O ZINC000016920459 570406521 /nfs/dbraw/zinc/40/65/21/570406521.db2.gz LYEXMFYXASCNLK-YVLHZVERSA-N 0 0 398.440 3.384 40 0 GGABRN COc1ccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1OC ZINC000010972001 570407318 /nfs/dbraw/zinc/40/73/18/570407318.db2.gz GBBMVKJQTFCHIM-UHFFFAOYSA-N 0 0 384.432 3.338 40 0 GGABRN Cc1noc(C)c1COC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000033478963 570408164 /nfs/dbraw/zinc/40/81/64/570408164.db2.gz CNXXNYMWNZKJIP-WOJGMQOQSA-N 0 0 391.387 3.279 40 0 GGABRN COc1ccc(/C=C/C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1OC ZINC000026059146 570408409 /nfs/dbraw/zinc/40/84/09/570408409.db2.gz JXBDGJHIWYFRBT-PKNBQFBNSA-N 0 0 394.471 3.138 40 0 GGABRN CCN(c1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1)S(=O)(=O)CC ZINC000222390789 570409252 /nfs/dbraw/zinc/40/92/52/570409252.db2.gz JMRYGTKTBRDCTI-UHFFFAOYSA-N 0 0 392.477 3.132 40 0 GGABRN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000040072312 570409838 /nfs/dbraw/zinc/40/98/38/570409838.db2.gz LJSQQYYGOZYECS-MUFCHLESSA-N 0 0 380.400 3.185 40 0 GGABRN COc1ccccc1/C=C(/C(=O)N(C)Cc1nnc2n1CCC2)c1ccccc1 ZINC000040105265 570409860 /nfs/dbraw/zinc/40/98/60/570409860.db2.gz OKYBADLZONIHSQ-XDJHFCHBSA-N 0 0 388.471 3.432 40 0 GGABRN Cc1cccc(CSCCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1 ZINC000222410290 570409906 /nfs/dbraw/zinc/40/99/06/570409906.db2.gz KVQPRVBCUDPCHC-UHFFFAOYSA-N 0 0 392.546 3.054 40 0 GGABRN CC(C)(C)c1nc2cc(NC(=O)CNS(=O)(=O)c3cccs3)ccc2o1 ZINC000025302254 570410480 /nfs/dbraw/zinc/41/04/80/570410480.db2.gz VNXHTGSQNJNVLP-UHFFFAOYSA-N 0 0 393.490 3.104 40 0 GGABRN CC(C)c1nnc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)s1 ZINC000025323768 570410687 /nfs/dbraw/zinc/41/06/87/570410687.db2.gz WHNMRIDWVOAXSF-UHFFFAOYSA-N 0 0 396.428 3.303 40 0 GGABRN COc1ccc(CCNC(=O)CN(Cc2ccc(F)cc2)C2CC2)cc1OC ZINC000016419119 570410725 /nfs/dbraw/zinc/41/07/25/570410725.db2.gz TYYRQGFXALFKHA-UHFFFAOYSA-N 0 0 386.467 3.166 40 0 GGABRN CC[C@@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C)c1ccc(OC)cc1 ZINC000222441074 570410820 /nfs/dbraw/zinc/41/08/20/570410820.db2.gz OKCSVSHTFSYACP-GOSISDBHSA-N 0 0 390.505 3.281 40 0 GGABRN Cc1ccc(SCCNC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1 ZINC000222449153 570411220 /nfs/dbraw/zinc/41/12/20/570411220.db2.gz QZOOKIGKFRHZQU-UHFFFAOYSA-N 0 0 392.546 3.221 40 0 GGABRN Cc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1N(C)S(C)(=O)=O ZINC000222458157 570411275 /nfs/dbraw/zinc/41/12/75/570411275.db2.gz CSOANELLTFEQPE-UHFFFAOYSA-N 0 0 390.505 3.108 40 0 GGABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C ZINC000222478161 570411924 /nfs/dbraw/zinc/41/19/24/570411924.db2.gz XMWLSOUTHUJHGV-LJQANCHMSA-N 0 0 382.504 3.462 40 0 GGABRN Cc1cc(C(=O)NCCCc2ccc(Cl)cc2)ccc1N(C)S(C)(=O)=O ZINC000222479332 570411976 /nfs/dbraw/zinc/41/19/76/570411976.db2.gz FSGLUBNPRLEPEM-UHFFFAOYSA-N 0 0 394.924 3.407 40 0 GGABRN CCOc1ccc(N(C(=O)c2c(F)cccc2F)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000005070989 570412356 /nfs/dbraw/zinc/41/23/56/570412356.db2.gz YNDAINMAJYFSLU-CQSZACIVSA-N 0 0 393.411 3.321 40 0 GGABRN Cc1cc(C(=O)NCc2ccc(OC(C)C)cc2)ccc1N(C)S(C)(=O)=O ZINC000222481994 570412405 /nfs/dbraw/zinc/41/24/05/570412405.db2.gz KFQHJXOHDUHGLT-UHFFFAOYSA-N 0 0 390.505 3.108 40 0 GGABRN Cc1ccc(-n2nnnc2SCCCN2C(=O)c3ccccc3C2=O)cc1C ZINC000024972646 570412407 /nfs/dbraw/zinc/41/24/07/570412407.db2.gz WYYFBICJMWQNMW-UHFFFAOYSA-N 0 0 393.472 3.058 40 0 GGABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000222488695 570412411 /nfs/dbraw/zinc/41/24/11/570412411.db2.gz UIXDKGTUMYTARV-AWEZNQCLSA-N 0 0 376.859 3.493 40 0 GGABRN Cc1cccc(CCCNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1 ZINC000222501193 570412637 /nfs/dbraw/zinc/41/26/37/570412637.db2.gz NUFBMJRYTFSAQW-UHFFFAOYSA-N 0 0 394.924 3.407 40 0 GGABRN Cc1ccc(CCCNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 ZINC000222501108 570412665 /nfs/dbraw/zinc/41/26/65/570412665.db2.gz VTQNHFAGEHITBV-UHFFFAOYSA-N 0 0 394.924 3.407 40 0 GGABRN COc1cccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(OC)c(OC)c2)c1 ZINC000001379792 570413495 /nfs/dbraw/zinc/41/34/95/570413495.db2.gz KIRLJHDDMZVUMJ-KRWDZBQOSA-N 0 0 399.447 3.347 40 0 GGABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1cccc(C)c1C ZINC000222533530 570413609 /nfs/dbraw/zinc/41/36/09/570413609.db2.gz XWOXFPHWRFQNSZ-MRXNPFEDSA-N 0 0 388.895 3.499 40 0 GGABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)cc(C)c1 ZINC000222567799 570414759 /nfs/dbraw/zinc/41/47/59/570414759.db2.gz PKQITXBBGVBSGU-INIZCTEOSA-N 0 0 388.895 3.499 40 0 GGABRN Cc1cc(C)cc(NC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 ZINC000005090470 570414776 /nfs/dbraw/zinc/41/47/76/570414776.db2.gz JSQQDHJHOHKCNH-UHFFFAOYSA-N 0 0 397.500 3.103 40 0 GGABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)cc(C)c1 ZINC000222567731 570414838 /nfs/dbraw/zinc/41/48/38/570414838.db2.gz PKQITXBBGVBSGU-MRXNPFEDSA-N 0 0 388.895 3.499 40 0 GGABRN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1OC(F)F ZINC000025501671 570414978 /nfs/dbraw/zinc/41/49/78/570414978.db2.gz KRAHDNRBPXIEMD-MRXNPFEDSA-N 0 0 381.375 3.259 40 0 GGABRN CC[C@@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccc(OC)cc1 ZINC000025513331 570415026 /nfs/dbraw/zinc/41/50/26/570415026.db2.gz AODJRHQFXZXAEU-LJQANCHMSA-N 0 0 377.444 3.181 40 0 GGABRN COc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)cc1NC(C)=O ZINC000025579445 570416367 /nfs/dbraw/zinc/41/63/67/570416367.db2.gz UHVDIXZEWAIGGM-LLVKDONJSA-N 0 0 389.839 3.064 40 0 GGABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000222619692 570417260 /nfs/dbraw/zinc/41/72/60/570417260.db2.gz DWVGFENQSQWHHG-CYBMUJFWSA-N 0 0 378.831 3.021 40 0 GGABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000222621314 570417293 /nfs/dbraw/zinc/41/72/93/570417293.db2.gz WOHOMXRLMQLIQE-AWEZNQCLSA-N 0 0 392.858 3.330 40 0 GGABRN CCNC(=O)COc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 ZINC000025650122 570417378 /nfs/dbraw/zinc/41/73/78/570417378.db2.gz DNAYXQVTBGEZQQ-UHFFFAOYSA-N 0 0 378.428 3.372 40 0 GGABRN Cc1c(-c2ccccc2)sc2ncn(CC(=O)NCC(F)(F)F)c(=O)c12 ZINC000025635034 570417396 /nfs/dbraw/zinc/41/73/96/570417396.db2.gz ABKNWPXDJYRASA-UHFFFAOYSA-N 0 0 381.379 3.112 40 0 GGABRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCC(F)(F)F ZINC000013011492 570417535 /nfs/dbraw/zinc/41/75/35/570417535.db2.gz YMCQCQAAKYCPMB-UHFFFAOYSA-N 0 0 390.358 3.227 40 0 GGABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)ccc1OC ZINC000007078006 570417988 /nfs/dbraw/zinc/41/79/88/570417988.db2.gz MVUZTIRPYKSCRF-SEJMYLSOSA-N 0 0 393.461 3.472 40 0 GGABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCc2ccc(OC)c(C)c2)c1 ZINC000222638882 570418184 /nfs/dbraw/zinc/41/81/84/570418184.db2.gz NSDQXKBMPFMCTP-UHFFFAOYSA-N 0 0 385.416 3.148 40 0 GGABRN O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000013017334 570418765 /nfs/dbraw/zinc/41/87/65/570418765.db2.gz YVWHPOMVYIXUKY-UHFFFAOYSA-N 0 0 388.423 3.167 40 0 GGABRN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CCCCCCC2)cc1 ZINC000013022083 570419336 /nfs/dbraw/zinc/41/93/36/570419336.db2.gz ORWWYUNOCFEHQR-LJQANCHMSA-N 0 0 380.554 3.481 40 0 GGABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-n4cnnc4)c3C)N21 ZINC000222682302 570420363 /nfs/dbraw/zinc/42/03/63/570420363.db2.gz MEHRPBSODIPTQB-AYOQOUSVSA-N 0 0 393.520 3.382 40 0 GGABRN Cc1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000026019950 570421578 /nfs/dbraw/zinc/42/15/78/570421578.db2.gz KIFBQZGOVMDOFD-SFHVURJKSA-N 0 0 392.908 3.118 40 0 GGABRN CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1csnn1)c1ccccc1 ZINC000004858722 570421646 /nfs/dbraw/zinc/42/16/46/570421646.db2.gz YEGOKJHPRJIZGT-KRWDZBQOSA-N 0 0 395.488 3.236 40 0 GGABRN CC(C)(C)N1C[C@H](C(=O)NCCOc2ccc(-c3ccccc3)cc2)CC1=O ZINC000035317066 570422532 /nfs/dbraw/zinc/42/25/32/570422532.db2.gz WHBGKBOAOSQFON-LJQANCHMSA-N 0 0 380.488 3.496 40 0 GGABRN CCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000222749291 570423671 /nfs/dbraw/zinc/42/36/71/570423671.db2.gz WPKRZJJVXQKXRC-KRWDZBQOSA-N 0 0 398.503 3.190 40 0 GGABRN COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)C(C)C)cc1 ZINC000222758061 570424185 /nfs/dbraw/zinc/42/41/85/570424185.db2.gz GQSAGRKJDFVGHB-GOSISDBHSA-N 0 0 382.504 3.427 40 0 GGABRN CCc1ccc(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1 ZINC000222765376 570424611 /nfs/dbraw/zinc/42/46/11/570424611.db2.gz XJVHNQBQOXHULI-UHFFFAOYSA-N 0 0 396.512 3.485 40 0 GGABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC(C)C)c(C)c2)cc1C ZINC000007362079 570424909 /nfs/dbraw/zinc/42/49/09/570424909.db2.gz SUSGCCMBYYLOQJ-UHFFFAOYSA-N 0 0 390.505 3.316 40 0 GGABRN CCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1C ZINC000007361622 570425011 /nfs/dbraw/zinc/42/50/11/570425011.db2.gz YSIWGHZXPGUTCV-UHFFFAOYSA-N 0 0 376.478 3.091 40 0 GGABRN COc1cccc(N(CCCC(=O)NC2CCCCCC2)S(C)(=O)=O)c1 ZINC000222798146 570426103 /nfs/dbraw/zinc/42/61/03/570426103.db2.gz QTAFIZFZKJUJCA-UHFFFAOYSA-N 0 0 382.526 3.080 40 0 GGABRN CCc1ccc(CCC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC)cc1 ZINC000222817156 570427322 /nfs/dbraw/zinc/42/73/22/570427322.db2.gz DGNCKHSBZLEXJL-QGZVFWFLSA-N 0 0 382.504 3.354 40 0 GGABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC(C)C)cc1OC ZINC000222814659 570427404 /nfs/dbraw/zinc/42/74/04/570427404.db2.gz BVMBVIICIGASOF-LGMDPLHJSA-N 0 0 386.448 3.230 40 0 GGABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1Cl ZINC000222818776 570427666 /nfs/dbraw/zinc/42/76/66/570427666.db2.gz 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ZINC000222845362 570428741 /nfs/dbraw/zinc/42/87/41/570428741.db2.gz FFXUUBUYJCDXIM-UHFFFAOYSA-N 0 0 386.448 3.061 40 0 GGABRN CCS(=O)(=O)N1CCC(C(=O)Nc2cccc(-c3csc(C)n3)c2)CC1 ZINC000026782768 570429008 /nfs/dbraw/zinc/42/90/08/570429008.db2.gz VESGCPYFAKWLMN-UHFFFAOYSA-N 0 0 393.534 3.119 40 0 GGABRN Cc1noc(C)c1COc1ccc(C(=O)NCC(=O)OCc2ccccc2)cc1 ZINC000006460329 570429111 /nfs/dbraw/zinc/42/91/11/570429111.db2.gz NUXXUKTXKOFQDA-UHFFFAOYSA-N 0 0 394.427 3.344 40 0 GGABRN COc1cc(C(=O)Nc2cc3c4c(c2)CCCN4C(=O)[C@H]3C)cc(OC)c1OC ZINC000005153630 570429277 /nfs/dbraw/zinc/42/92/77/570429277.db2.gz RRHXYWILOUDAHJ-LBPRGKRZSA-N 0 0 396.443 3.361 40 0 GGABRN CCc1ccc(O[C@H](CC)C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 ZINC000222883082 570429809 /nfs/dbraw/zinc/42/98/09/570429809.db2.gz JDRKGXMKJZQVFG-LJQANCHMSA-N 0 0 390.505 3.441 40 0 GGABRN CCc1ccc(O[C@@H](CC)C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 ZINC000222883026 570429950 /nfs/dbraw/zinc/42/99/50/570429950.db2.gz JDRKGXMKJZQVFG-IBGZPJMESA-N 0 0 390.505 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CC[C@H](C(=O)N1CCCc2ccccc21)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715980 570779069 /nfs/dbraw/zinc/77/90/69/570779069.db2.gz RUKJNOPCECLVEQ-GOSISDBHSA-N 0 0 390.480 3.350 40 0 GGABRN Cc1cccc(CSCCNC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 ZINC000013717328 570779103 /nfs/dbraw/zinc/77/91/03/570779103.db2.gz LKBQKDUDYSRNDY-UHFFFAOYSA-N 0 0 396.512 3.421 40 0 GGABRN Cc1ccc(CSCCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000013717309 570779138 /nfs/dbraw/zinc/77/91/38/570779138.db2.gz MXADKRRXTSQOSB-UHFFFAOYSA-N 0 0 396.512 3.421 40 0 GGABRN COc1ccc(C2=Nc3nc(CCCO)nn3[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000100892447 570779137 /nfs/dbraw/zinc/77/91/37/570779137.db2.gz DMLACZFFZANNGK-FQEVSTJZSA-N 0 0 392.459 3.276 40 0 GGABRN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(C)s2)CC1 ZINC000096765384 570779531 /nfs/dbraw/zinc/77/95/31/570779531.db2.gz BRPSUJROVQWORS-KRWDZBQOSA-N 0 0 392.908 3.382 40 0 GGABRN Cc1ccc(CCCNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000010110536 570781574 /nfs/dbraw/zinc/78/15/74/570781574.db2.gz RQJVIZWFJFODNF-INIZCTEOSA-N 0 0 392.496 3.038 40 0 GGABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1 ZINC000010112339 570782287 /nfs/dbraw/zinc/78/22/87/570782287.db2.gz GNTVPJNMECXHNQ-UHFFFAOYSA-N 0 0 390.461 3.104 40 0 GGABRN C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(-c2ccccc2)cc1 ZINC000007063786 570782346 /nfs/dbraw/zinc/78/23/46/570782346.db2.gz LBIHUNDXKYJOAA-OAHLLOKOSA-N 0 0 380.469 3.492 40 0 GGABRN CCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)CC)cc2)c(C)c1 ZINC000010112380 570782391 /nfs/dbraw/zinc/78/23/91/570782391.db2.gz PJOPTYOQQSXUBB-UHFFFAOYSA-N 0 0 390.461 3.186 40 0 GGABRN COc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)c1 ZINC000010153426 570783556 /nfs/dbraw/zinc/78/35/56/570783556.db2.gz NGRPPQITFDHZMB-HNNXBMFYSA-N 0 0 397.822 3.129 40 0 GGABRN COC(=O)c1cccc(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)c1 ZINC000169726898 570784880 /nfs/dbraw/zinc/78/48/80/570784880.db2.gz UZEZVUJNTQPYOI-UHFFFAOYSA-N 0 0 396.443 3.461 40 0 GGABRN COCc1c(C(=O)Oc2ccc(-n3cnnn3)cc2)sc2cccc(F)c21 ZINC000007976520 570786515 /nfs/dbraw/zinc/78/65/15/570786515.db2.gz NXIODKLKNJANIZ-UHFFFAOYSA-N 0 0 384.392 3.382 40 0 GGABRN Cc1cccc(CSCCNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c1 ZINC000010314324 570787192 /nfs/dbraw/zinc/78/71/92/570787192.db2.gz JCWTVXIQGDGAGI-UHFFFAOYSA-N 0 0 392.546 3.338 40 0 GGABRN Cc1cccc(CSCCNC(=O)c2cccc(NS(C)(=O)=O)c2C)c1 ZINC000010314214 570787293 /nfs/dbraw/zinc/78/72/93/570787293.db2.gz XPGVGCSGPRIUSB-UHFFFAOYSA-N 0 0 392.546 3.338 40 0 GGABRN CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(C)cc1 ZINC000261362628 570788225 /nfs/dbraw/zinc/78/82/25/570788225.db2.gz MJILAJYOMWZCNS-IBGZPJMESA-O 0 0 379.465 3.080 40 0 GGABRN CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1sccc1C ZINC000261362293 570788252 /nfs/dbraw/zinc/78/82/52/570788252.db2.gz CRAMGGYOVGHEFX-QGZVFWFLSA-O 0 0 385.494 3.142 40 0 GGABRN CC[C@@H](C)NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000010332874 570788272 /nfs/dbraw/zinc/78/82/72/570788272.db2.gz OHFHPVMKGSEODK-CQSZACIVSA-N 0 0 378.469 3.320 40 0 GGABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NC2CCCC2)cc1 ZINC000010334624 570788309 /nfs/dbraw/zinc/78/83/09/570788309.db2.gz TXINOQXGWUSLFA-UHFFFAOYSA-N 0 0 390.480 3.464 40 0 GGABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(C)o1 ZINC000261364907 570788534 /nfs/dbraw/zinc/78/85/34/570788534.db2.gz ORBFHZDMLPCMMF-GOSISDBHSA-O 0 0 383.453 3.064 40 0 GGABRN CCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@@H]1c1cccs1 ZINC000261365257 570788665 /nfs/dbraw/zinc/78/86/65/570788665.db2.gz QYPQYJYLHFAZJB-QGZVFWFLSA-O 0 0 385.494 3.224 40 0 GGABRN CCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@@H]1c1ccccc1C ZINC000261363791 570788693 /nfs/dbraw/zinc/78/86/93/570788693.db2.gz IGDSOYHPSOFJBQ-HXUWFJFHSA-O 0 0 393.492 3.471 40 0 GGABRN CC(=O)N1c2ccccc2-c2c(=O)[n-]c(SCc3ccccc3)n[n+]2[C@@H]1C ZINC000261365706 570789225 /nfs/dbraw/zinc/78/92/25/570789225.db2.gz UTGTZSMNSTVTAD-CYBMUJFWSA-O 0 0 379.465 3.314 40 0 GGABRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@H]1c1cc(F)cc(F)c1 ZINC000010326120 570789298 /nfs/dbraw/zinc/78/92/98/570789298.db2.gz YSUXUOBXUREFJE-OAHLLOKOSA-N 0 0 398.365 3.064 40 0 GGABRN Cc1ccc(C)c(N([C@@H](C)C(=O)NCc2ccccc2Cl)S(C)(=O)=O)c1 ZINC000010324891 570789307 /nfs/dbraw/zinc/78/93/07/570789307.db2.gz FKAHXQAQJNDZEA-HNNXBMFYSA-N 0 0 394.924 3.428 40 0 GGABRN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccccc3)c2=O)cc1 ZINC000010338758 570789323 /nfs/dbraw/zinc/78/93/23/570789323.db2.gz HANAWULQGABHSS-UHFFFAOYSA-N 0 0 385.423 3.100 40 0 GGABRN Cc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 ZINC000010448292 570790453 /nfs/dbraw/zinc/79/04/53/570790453.db2.gz ZZGKSSDYMJRGMK-UHFFFAOYSA-N 0 0 386.517 3.408 40 0 GGABRN C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N1CCc2ccccc21 ZINC000004469750 570790809 /nfs/dbraw/zinc/79/08/09/570790809.db2.gz YVCVUFLONSHVCM-LBPRGKRZSA-N 0 0 399.907 3.382 40 0 GGABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1c2ccccc2C[C@H]1C ZINC000010449949 570791031 /nfs/dbraw/zinc/79/10/31/570791031.db2.gz DJBMHHULVYOLBW-MRXNPFEDSA-N 0 0 384.501 3.371 40 0 GGABRN Cc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccccc4)N4CCC[C@H]34)C2O)cc1C ZINC000013811399 570791418 /nfs/dbraw/zinc/79/14/18/570791418.db2.gz ZHQNWZMABXGLTE-PLACYPQZSA-N 0 0 388.467 3.139 40 0 GGABRN Cc1ccccc1N(CC(=O)N1CCC[C@@H](C)C1)S(=O)(=O)c1ccccc1 ZINC000010541107 570791411 /nfs/dbraw/zinc/79/14/11/570791411.db2.gz BAZZCIWJRJIQKC-QGZVFWFLSA-N 0 0 386.517 3.449 40 0 GGABRN COc1cc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(C)C ZINC000010542676 570791535 /nfs/dbraw/zinc/79/15/35/570791535.db2.gz GMBGXKYCHHUDPI-UHFFFAOYSA-N 0 0 389.448 3.438 40 0 GGABRN COc1ccc(S(=O)(=O)NCCCc2ccc(OC(C)C)cc2)cc1OC ZINC000010543357 570791933 /nfs/dbraw/zinc/79/19/33/570791933.db2.gz ZGDCINDGRCRUQU-UHFFFAOYSA-N 0 0 393.505 3.402 40 0 GGABRN CC(C)Oc1cccc(CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000010543262 570792064 /nfs/dbraw/zinc/79/20/64/570792064.db2.gz OWRYNEKCSZWTDK-UHFFFAOYSA-N 0 0 391.489 3.156 40 0 GGABRN C[C@H](CCc1ccccc1)NS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)[C@H]2C ZINC000101079012 570793808 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CCOC[C@@H]1CN(C(=O)c2ccnc(F)c2)Cc2cnn(CC3CCCC3)c21 ZINC000585110778 570944104 /nfs/dbraw/zinc/94/41/04/570944104.db2.gz FNBALPXWCCBGPY-SFHVURJKSA-N 0 0 386.471 3.384 40 0 GGABRN COc1ccc(C)cc1NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000020236723 570944654 /nfs/dbraw/zinc/94/46/54/570944654.db2.gz MDHQUMCCKIBSPZ-UHFFFAOYSA-N 0 0 376.478 3.025 40 0 GGABRN COc1ccc(CSCC(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000020237794 570944997 /nfs/dbraw/zinc/94/49/97/570944997.db2.gz JHFZKVVKDSNVSE-UHFFFAOYSA-N 0 0 375.490 3.305 40 0 GGABRN CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000017305292 570945105 /nfs/dbraw/zinc/94/51/05/570945105.db2.gz BEEOTTDFEGMADF-UHFFFAOYSA-N 0 0 396.468 3.426 40 0 GGABRN Cc1ccc(C(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)cc1F ZINC000585111277 570945469 /nfs/dbraw/zinc/94/54/69/570945469.db2.gz MGXKTOZNILIACT-HXUWFJFHSA-N 0 0 379.435 3.423 40 0 GGABRN O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccc(F)c(F)c1 ZINC000585111254 570945473 /nfs/dbraw/zinc/94/54/73/570945473.db2.gz LMIDZPAIPIDCOA-IBGZPJMESA-N 0 0 383.398 3.253 40 0 GGABRN O=C(CC1CCCCC1)N1CCc2ncc(-c3cnn(C(F)F)c3)n2CC1 ZINC000585111332 570946028 /nfs/dbraw/zinc/94/60/28/570946028.db2.gz OQGRYZGZORQCGW-UHFFFAOYSA-N 0 0 377.439 3.497 40 0 GGABRN COc1ccccc1-c1cnc2n1CCN(C(=O)c1sc(C)nc1C)CC2 ZINC000585111350 570946188 /nfs/dbraw/zinc/94/61/88/570946188.db2.gz PRDVIQUZOLGFRA-UHFFFAOYSA-N 0 0 382.489 3.331 40 0 GGABRN COc1cccc([C@@H](NS(=O)(=O)c2ccc(C)c(C)c2)c2nccn2C)c1 ZINC000017522251 570947275 /nfs/dbraw/zinc/94/72/75/570947275.db2.gz LHQKLIHJLSDOHI-LJQANCHMSA-N 0 0 385.489 3.113 40 0 GGABRN Cc1c(NC(=O)NCCCN(C)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000043122678 570949236 /nfs/dbraw/zinc/94/92/36/570949236.db2.gz KMBKUAKISVQDON-UHFFFAOYSA-N 0 0 393.491 3.132 40 0 GGABRN CCCN(CCN1C(=O)c2ccccc2C1=O)Cc1nnc(-c2cccs2)o1 ZINC000007589727 570949445 /nfs/dbraw/zinc/94/94/45/570949445.db2.gz FXHNMGADZIWEOE-UHFFFAOYSA-N 0 0 396.472 3.306 40 0 GGABRN Cc1ccccc1[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000017963375 570949537 /nfs/dbraw/zinc/94/95/37/570949537.db2.gz SLKYKLHSUSDOSR-QGZVFWFLSA-N 0 0 386.517 3.273 40 0 GGABRN CCOC(=O)C1=C(Cn2cc(Cl)cn2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000002732883 570950111 /nfs/dbraw/zinc/95/01/11/570950111.db2.gz JRTJBHFAWCAFPR-KRWDZBQOSA-N 0 0 388.855 3.140 40 0 GGABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000018217367 570951540 /nfs/dbraw/zinc/95/15/40/570951540.db2.gz AVRNAFGQXAHLRV-MRXNPFEDSA-N 0 0 388.895 3.256 40 0 GGABRN CC(=O)N1CCC(c2ncc3c(n2)CCN(Cc2c[nH]c4ccccc24)C3)CC1 ZINC000019016868 570954175 /nfs/dbraw/zinc/95/41/75/570954175.db2.gz UFAQNTPQMCWBRW-UHFFFAOYSA-N 0 0 389.503 3.242 40 0 GGABRN C[C@@H]1CN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)C[C@@H](C)O1 ZINC000226717321 570954306 /nfs/dbraw/zinc/95/43/06/570954306.db2.gz CYYJDBZLOJVRPE-FJJYHAOUSA-N 0 0 398.385 3.386 40 0 GGABRN C[C@@H]1CN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)C[C@H](C)O1 ZINC000226717327 570954435 /nfs/dbraw/zinc/95/44/35/570954435.db2.gz CYYJDBZLOJVRPE-OXIQGZBJSA-N 0 0 398.385 3.386 40 0 GGABRN CC(=O)N1CCc2nc([C@@H]3CCCCN3CCOc3ccccc3F)ncc2C1 ZINC000019018267 570954556 /nfs/dbraw/zinc/95/45/56/570954556.db2.gz PPUNWBVOETYBSS-FQEVSTJZSA-N 0 0 398.482 3.126 40 0 GGABRN CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)CCC1CCCC1)C2 ZINC000019017332 570954566 /nfs/dbraw/zinc/95/45/66/570954566.db2.gz WJZUIKLMEIANAR-FQEVSTJZSA-N 0 0 384.524 3.405 40 0 GGABRN COc1ccc(CN2CCCC[C@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1 ZINC000019018280 570954578 /nfs/dbraw/zinc/95/45/78/570954578.db2.gz QMHSLXMILNBUGH-NRFANRHFSA-N 0 0 380.492 3.117 40 0 GGABRN CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1cccnc1 ZINC000019017580 570954583 /nfs/dbraw/zinc/95/45/83/570954583.db2.gz DCHPYWFHEASWSH-YPAWHYETSA-N 0 0 377.488 3.481 40 0 GGABRN CC(=O)N1CCc2nc([C@H]3CCCN3CCCOc3ccccc3F)ncc2C1 ZINC000019018613 570954990 /nfs/dbraw/zinc/95/49/90/570954990.db2.gz RNJSLZZKYUYMAT-HXUWFJFHSA-N 0 0 398.482 3.126 40 0 GGABRN COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)[C@H](C)Oc2ccccc2F)cc1 ZINC000019079511 570955858 /nfs/dbraw/zinc/95/58/58/570955858.db2.gz GJOAUNXQWCUCMD-QKKBWIMNSA-N 0 0 395.434 3.499 40 0 GGABRN CNC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CN(C(=O)C(C)C)CCO1 ZINC000019085802 570956592 /nfs/dbraw/zinc/95/65/92/570956592.db2.gz VTEOFYNBKIEKBV-QHCPKHFHSA-N 0 0 398.478 3.035 40 0 GGABRN COc1ccc(OC)c(CC(=O)N2CCC[C@@H]2c2[nH]ncc2-c2cc(C)no2)c1 ZINC000019120995 570956889 /nfs/dbraw/zinc/95/68/89/570956889.db2.gz PYDHQOSYDPQGNT-QGZVFWFLSA-N 0 0 396.447 3.297 40 0 GGABRN Cc1nonc1CC(=O)N1CCC[C@@H](c2nc(C)cc(-c3cccs3)n2)C1 ZINC000019117696 570957024 /nfs/dbraw/zinc/95/70/24/570957024.db2.gz KEFKACXTQKNPCL-CQSZACIVSA-N 0 0 383.477 3.154 40 0 GGABRN Cc1cc(C(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)on1 ZINC000019119717 570957029 /nfs/dbraw/zinc/95/70/29/570957029.db2.gz FLUVITGNGNUGBW-UHFFFAOYSA-N 0 0 382.468 3.256 40 0 GGABRN COc1cccc(C(=O)N2CCC(c3n[nH]c(=O)cc3-c3cc(C)no3)CC2)c1 ZINC000019121235 570957078 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Cc1cc(-c2cncnc2-c2ccc(CNC(=O)C[C@@H]3CCCO3)cc2)on1 ZINC000019124278 570957915 /nfs/dbraw/zinc/95/79/15/570957915.db2.gz OENKTPZIRPHECR-KRWDZBQOSA-N 0 0 378.432 3.292 40 0 GGABRN Cc1cc2cc(C(=O)N3CCc4nc([C@@H]5CCCN5C)ncc4C3)ccc2o1 ZINC000019126413 570957941 /nfs/dbraw/zinc/95/79/41/570957941.db2.gz AHSBNQCKMNWBDB-IBGZPJMESA-N 0 0 376.460 3.496 40 0 GGABRN Cc1nc2cc(C)c(C)cc2n1CC(=O)N1CCC(Oc2cccnc2)CC1 ZINC000019125210 570957994 /nfs/dbraw/zinc/95/79/94/570957994.db2.gz BYLLNZADSCECJC-UHFFFAOYSA-N 0 0 378.476 3.427 40 0 GGABRN Cc1ccc([C@@H](C)N2CCN(C(=O)CCN3Cc4ccccc4C3=O)CC2)cc1 ZINC000019136397 570959004 /nfs/dbraw/zinc/95/90/04/570959004.db2.gz ZGCUQGRSWFSHCQ-LJQANCHMSA-N 0 0 391.515 3.246 40 0 GGABRN Cc1cc(C)c(N2C(=O)[C@@H]3[C@H](c4ccccc4)N4CCCN4[C@@H]3C2=O)c(C)c1 ZINC000019169594 570959398 /nfs/dbraw/zinc/95/93/98/570959398.db2.gz YJSFSCDGKNCDTQ-GIVPXCGWSA-N 0 0 375.472 3.147 40 0 GGABRN Cc1ccc(C2(CNC(=O)c3ccc(C(C)(C)C)[nH]c3=O)CCOCC2)cc1 ZINC000019208728 570960023 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CVOSXCFDVVVCOJ-QFIPXVFZSA-N 0 0 394.519 3.296 40 0 GGABRN CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(CCOc1cccc(C)c1)C2 ZINC000019235198 570965622 /nfs/dbraw/zinc/96/56/22/570965622.db2.gz RLTSJWWXFZCINF-JOCHJYFZSA-N 0 0 394.519 3.296 40 0 GGABRN Cc1ccn(C(=O)c2ccc(Cn3cncn3)cc2)/c(=N/C2CCCCC2)c1 ZINC000023199647 570965762 /nfs/dbraw/zinc/96/57/62/570965762.db2.gz UJYUFKMVNPMJIB-NJNXFGOHSA-N 0 0 375.476 3.358 40 0 GGABRN CCc1c(C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)[nH]c(C)c1C(C)=O ZINC000052993656 570965764 /nfs/dbraw/zinc/96/57/64/570965764.db2.gz VAHSCAWLMOHINM-UHFFFAOYSA-N 0 0 381.432 3.384 40 0 GGABRN COc1c(C)cccc1CN1CCc2nc([C@H]3CCCCN3C(C)=O)ncc2C1 ZINC000019235998 570966366 /nfs/dbraw/zinc/96/63/66/570966366.db2.gz HKIGVTKGKQIEIU-OAQYLSRUSA-N 0 0 394.519 3.425 40 0 GGABRN Cc1cccc(CN2CCCN(C(=O)CCc3ccc4c(c3)C[C@H](C)O4)CC2)n1 ZINC000019236269 570966477 /nfs/dbraw/zinc/96/64/77/570966477.db2.gz PJCMZHHJZLGJED-IBGZPJMESA-N 0 0 393.531 3.381 40 0 GGABRN Cc1cccc(C)c1OCC(=O)N1CCC(c2cc3ncccc3c(=O)[nH]2)CC1 ZINC000019236035 570966586 /nfs/dbraw/zinc/96/65/86/570966586.db2.gz RZMRVLBJGOKKOH-UHFFFAOYSA-N 0 0 391.471 3.325 40 0 GGABRN Cc1ccccc1CC(=O)N[C@H](c1cc(=O)[nH]c(-c2cccnc2)n1)C(C)C ZINC000019237109 570967034 /nfs/dbraw/zinc/96/70/34/570967034.db2.gz CQFTZSHGSVEEHE-NRFANRHFSA-N 0 0 376.460 3.196 40 0 GGABRN Cc1ccn(CCC(=O)N2CCCC[C@H]2c2nn(C)cc2-c2onc(C)c2C)n1 ZINC000019238076 570967352 /nfs/dbraw/zinc/96/73/52/570967352.db2.gz WVISNACMPMVEJJ-SFHVURJKSA-N 0 0 396.495 3.341 40 0 GGABRN Cc1nc(C)n(C[C@@H](C)C(=O)N[C@H](Cc2ccsc2)c2ncccc2C)n1 ZINC000019237609 570967544 /nfs/dbraw/zinc/96/75/44/570967544.db2.gz VULOSOXDXLSUCJ-RDTXWAMCSA-N 0 0 383.521 3.396 40 0 GGABRN Cc1ccnn1Cc1cc(C(=O)NCCCn2ccnc2C)c2ccccc2n1 ZINC000019238536 570967927 /nfs/dbraw/zinc/96/79/27/570967927.db2.gz LTJAJONTDVYZFI-UHFFFAOYSA-N 0 0 388.475 3.113 40 0 GGABRN Cc1cnc(-c2nnc(C3CCN(C(=O)c4ccc(F)c(F)c4)CC3)o2)cn1 ZINC000019239238 570968123 /nfs/dbraw/zinc/96/81/23/570968123.db2.gz XPFIIMVMODALEP-UHFFFAOYSA-N 0 0 385.374 3.133 40 0 GGABRN Cc1noc(-c2cnn(C)c2[C@H]2CCCCN2C(=O)c2cnc(C)cn2)c1C ZINC000019238910 570968295 /nfs/dbraw/zinc/96/82/95/570968295.db2.gz KOBIEAAGPZMLKZ-QGZVFWFLSA-N 0 0 380.452 3.158 40 0 GGABRN Cc1cnccc1-c1cnc(C)nc1[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC000019239748 570968662 /nfs/dbraw/zinc/96/86/62/570968662.db2.gz XOJDNBMFXMRWOL-SFHVURJKSA-N 0 0 390.447 3.018 40 0 GGABRN Cc1cnccc1-c1cnc(C)nc1[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC000019239749 570968792 /nfs/dbraw/zinc/96/87/92/570968792.db2.gz XOJDNBMFXMRWOL-GOSISDBHSA-N 0 0 390.447 3.018 40 0 GGABRN Cc1csc2ncc(C(=O)N(Cc3ccncc3)C3CCCCC3)c(=O)n12 ZINC000019240345 570969180 /nfs/dbraw/zinc/96/91/80/570969180.db2.gz DKEXNJFNHBEECZ-UHFFFAOYSA-N 0 0 382.489 3.435 40 0 GGABRN COc1ccccc1C(=O)N[C@H](Cc1cc(=O)[nH]c(C)n1)c1ccc(Cl)cc1 ZINC000019285331 570969326 /nfs/dbraw/zinc/96/93/26/570969326.db2.gz NFBONGXXGZOFPU-GOSISDBHSA-N 0 0 397.862 3.454 40 0 GGABRN Cc1nc(C)n([C@H](C)CC(=O)N2CCC[C@@H](c3nc(C)n4ccsc34)C2)n1 ZINC000019285646 570969659 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Cn1nc(C2CC2)cc1C(=O)N1CCC[C@]2(CCC(=O)N2)[C@H]1c1cccc(F)c1 ZINC000019288834 570971009 /nfs/dbraw/zinc/97/10/09/570971009.db2.gz ZJIYAYQSDODVJB-IRLDBZIGSA-N 0 0 396.466 3.063 40 0 GGABRN COc1ccccc1-c1cc(NS(=O)(=O)Cc2cccc(F)c2)n(C)n1 ZINC000019288949 570971067 /nfs/dbraw/zinc/97/10/67/570971067.db2.gz MNWIFZYTJKEYGO-UHFFFAOYSA-N 0 0 375.425 3.177 40 0 GGABRN COc1ccc(N(Cc2cccnc2)C(=O)c2cc(-c3cnn(C)c3)on2)cc1 ZINC000019290753 570971921 /nfs/dbraw/zinc/97/19/21/570971921.db2.gz TWIGCAOJFOBUNX-UHFFFAOYSA-N 0 0 389.415 3.326 40 0 GGABRN Cn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(Cc2ccccc2F)CC1 ZINC000019291281 570972014 /nfs/dbraw/zinc/97/20/14/570972014.db2.gz SEZFZJVMOGOHSW-OAQYLSRUSA-N 0 0 398.457 3.102 40 0 GGABRN O=C(Cc1cccc(Cl)c1)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1 ZINC000019293361 570973287 /nfs/dbraw/zinc/97/32/87/570973287.db2.gz XZUMONZXBMMNAD-HNNXBMFYSA-N 0 0 387.896 3.289 40 0 GGABRN O=C(OCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(-n2cncn2)cc1 ZINC000019296599 570973529 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CCN(C(C)=O)[C@H]1CN(C(=O)c2cn3ccc(C)cc3n2)C2(C1)CCCCC2 ZINC000019703825 1399335568 /nfs/dbraw/zinc/33/55/68/1399335568.db2.gz XUFICIPTDHZLMC-GOSISDBHSA-N 0 0 382.508 3.429 40 0 GGABRN CCN(C(C)=O)[C@@H]1CN(C(=O)c2cn3ccc(C)cc3n2)C2(C1)CCCCC2 ZINC000019703824 1399335681 /nfs/dbraw/zinc/33/56/81/1399335681.db2.gz XUFICIPTDHZLMC-SFHVURJKSA-N 0 0 382.508 3.429 40 0 GGABRN CC(=O)N[C@@H]1CCO[C@H](c2ccccc2NC(=O)COc2ccc(F)cc2)C1 ZINC000019712280 1399336154 /nfs/dbraw/zinc/33/61/54/1399336154.db2.gz HTNICBQWIMLKTH-UZLBHIALSA-N 0 0 386.423 3.199 40 0 GGABRN CC(=O)N[C@@H]1CCO[C@H](c2ccc(NC(=O)COc3ccc(F)cc3)cc2)C1 ZINC000019711896 1399336280 /nfs/dbraw/zinc/33/62/80/1399336280.db2.gz MRPDYIXWCGJJOU-QUCCMNQESA-N 0 0 386.423 3.199 40 0 GGABRN O=C(CCc1ccncc1)N1C[C@@H](c2cccc(F)c2)[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712836 1399336552 /nfs/dbraw/zinc/33/65/52/1399336552.db2.gz OLLQNTGBMAEDLD-MZKRTTBSSA-N 0 0 395.478 3.207 40 0 GGABRN CCc1onc(C)c1C(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712803 1399336579 /nfs/dbraw/zinc/33/65/79/1399336579.db2.gz LTDQKJCPZLAOGF-FVJLSDCUSA-N 0 0 399.466 3.352 40 0 GGABRN CCN(C(=O)c1ccccn1)[C@@H]1CCO[C@H](c2ccc(CN(C)C(C)=O)cc2)C1 ZINC000019712678 1399336608 /nfs/dbraw/zinc/33/66/08/1399336608.db2.gz ZRLOTZPONIKEDV-IRLDBZIGSA-N 0 0 395.503 3.442 40 0 GGABRN CC(=O)N1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCCN2C(=O)c1cnn(C)c1 ZINC000019712953 1399336650 /nfs/dbraw/zinc/33/66/50/1399336650.db2.gz ZUWILLLSXFJKEK-VSKRKVRLSA-N 0 0 394.519 3.037 40 0 GGABRN Cc1nn(C)cc1C(=O)N1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1cccc(C)c1 ZINC000019713354 1399336694 /nfs/dbraw/zinc/33/66/94/1399336694.db2.gz JDJWCLDCKWGULP-RTWAWAEBSA-N 0 0 394.519 3.223 40 0 GGABRN CCCc1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NC(=O)CCCC[C@H]32)no1 ZINC000019712824 1399336705 /nfs/dbraw/zinc/33/67/05/1399336705.db2.gz LEVCZQOOYJTFIW-DSKINZAPSA-N 0 0 399.466 3.433 40 0 GGABRN CC(=O)N1CCCCC[C@@H]2N(S(=O)(=O)c3ccc(C)c(C)c3)CC[C@@]21C ZINC000019713327 1399336736 /nfs/dbraw/zinc/33/67/36/1399336736.db2.gz MMXGNKZVBDIFRC-PMACEKPBSA-N 0 0 378.538 3.248 40 0 GGABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)N2C(=O)c1cnccn1 ZINC000019712871 1399336822 /nfs/dbraw/zinc/33/68/22/1399336822.db2.gz AWEOVDDQKQBCGS-FCEUIQTBSA-N 0 0 392.503 3.094 40 0 GGABRN O=C(COc1ccc(F)cc1)N1[C@@H](c2ccccc2)C[C@@H]2NC(=O)CCC[C@H]21 ZINC000019713474 1399337350 /nfs/dbraw/zinc/33/73/50/1399337350.db2.gz FHXXDWLHJSWLJR-XUVXKRRUSA-N 0 0 382.435 3.215 40 0 GGABRN COc1ccc([C@H]2C[C@@H](NC(=O)C(C)(C)C)CC[C@]23CCC(=O)N3)cc1OC ZINC000019740303 1399337932 /nfs/dbraw/zinc/33/79/32/1399337932.db2.gz RCXKLEZSJFCVKB-DMPWYTOCSA-N 0 0 388.508 3.151 40 0 GGABRN COc1ccc(C(=O)N2NC3=C(C[C@@H](C)CC3)[C@@]2(O)C(F)(F)F)cc1OC ZINC000020034237 1399341252 /nfs/dbraw/zinc/34/12/52/1399341252.db2.gz WQNPAMVVWVXGPC-QAGHZCBJSA-N 0 0 386.370 3.203 40 0 GGABRN COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CCOC(C)(C)C1)N(C)CC3)OCO2 ZINC000020111776 1399342923 /nfs/dbraw/zinc/34/29/23/1399342923.db2.gz 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COc1ccc(-c2nn3c(nc(COc4ccccc4OC)cc3=O)s2)cc1 ZINC000020858977 1399355134 /nfs/dbraw/zinc/35/51/34/1399355134.db2.gz CPOAIOFBAFJNRK-UHFFFAOYSA-N 0 0 395.440 3.414 40 0 GGABRN CC1CCN(C(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)CC1 ZINC000020889094 1399355826 /nfs/dbraw/zinc/35/58/26/1399355826.db2.gz NBOFDRNASIPRMH-UHFFFAOYSA-N 0 0 384.501 3.310 40 0 GGABRN O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCc1ccc(-n2cccn2)cc1 ZINC000020960551 1399358854 /nfs/dbraw/zinc/35/88/54/1399358854.db2.gz MCEIKVYDMJUAQG-UHFFFAOYSA-N 0 0 392.411 3.350 40 0 GGABRN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NCCC1=CCCCC1 ZINC000021003154 1399360196 /nfs/dbraw/zinc/36/01/96/1399360196.db2.gz RENNXEMREBTUCJ-UHFFFAOYSA-N 0 0 390.549 3.241 40 0 GGABRN CCCc1nnc(SCc2cc(=O)c3cc(C(=O)OCC)ccc3[nH]2)n1C ZINC000021098983 1399364946 /nfs/dbraw/zinc/36/49/46/1399364946.db2.gz NWHRJCPTQIFYGS-UHFFFAOYSA-N 0 0 386.477 3.078 40 0 GGABRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)Nc1ccc(Cl)cc1 ZINC000021131654 1399365749 /nfs/dbraw/zinc/36/57/49/1399365749.db2.gz YKYLFNYOKMRBRS-LBPRGKRZSA-N 0 0 390.798 3.014 40 0 GGABRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)Nc1cccc(Cl)c1 ZINC000021131602 1399365787 /nfs/dbraw/zinc/36/57/87/1399365787.db2.gz VUOMQVLHMPIPHT-LBPRGKRZSA-N 0 0 390.798 3.014 40 0 GGABRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)Nc1ccc(Cl)cc1 ZINC000021131657 1399365840 /nfs/dbraw/zinc/36/58/40/1399365840.db2.gz YKYLFNYOKMRBRS-GFCCVEGCSA-N 0 0 390.798 3.014 40 0 GGABRN O=c1[nH]c(CN(Cc2nc3ccccc3o2)C[C@H]2CCCO2)nc2ccccc21 ZINC000021332430 1399375214 /nfs/dbraw/zinc/37/52/14/1399375214.db2.gz FSQYCRIDDPZKJL-OAHLLOKOSA-N 0 0 390.443 3.246 40 0 GGABRN CCCCN1C(=O)C[C@H](C(=O)OCC(=O)c2ccc[nH]2)[C@@H]1c1ccc(OC)cc1 ZINC000021501782 1399386038 /nfs/dbraw/zinc/38/60/38/1399386038.db2.gz MDKKKIUOFOUNRU-UWJYYQICSA-N 0 0 398.459 3.139 40 0 GGABRN Cc1cn2c(nc(COC(=O)c3ccc(NC(=O)CC(C)C)cc3)cc2=O)s1 ZINC000021633263 1399396201 /nfs/dbraw/zinc/39/62/01/1399396201.db2.gz XHJRBDGRKUTOAS-UHFFFAOYSA-N 0 0 399.472 3.406 40 0 GGABRN Cc1cn2c(nc(COC(=O)c3cccc(NC(=O)C(C)C)c3)cc2=O)s1 ZINC000021633430 1399396236 /nfs/dbraw/zinc/39/62/36/1399396236.db2.gz ATQDRGVDXASVIZ-UHFFFAOYSA-N 0 0 385.445 3.016 40 0 GGABRN CCCNC(=O)NC(=O)CNc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC000021698461 1399401645 /nfs/dbraw/zinc/40/16/45/1399401645.db2.gz LWPWLWQWZCBTOC-UHFFFAOYSA-N 0 0 388.855 3.240 40 0 GGABRN O=C(NC1CCCCCCC1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000021706860 1399402871 /nfs/dbraw/zinc/40/28/71/1399402871.db2.gz GRCDSAKMCYEIHP-GOSISDBHSA-N 0 0 382.501 3.208 40 0 GGABRN CCn1c2ccc(C(=O)N(C)Cc3cc(C)ccc3OC)cc2nc(C)c1=O ZINC000021710772 1399402999 /nfs/dbraw/zinc/40/29/99/1399402999.db2.gz JHSASNJXSHOUNE-UHFFFAOYSA-N 0 0 379.460 3.314 40 0 GGABRN COc1ccc(N2C[C@@H](C(=O)Nc3ccc(-c4nc(C)no4)cc3)CC2=O)cc1 ZINC000021792445 1399409836 /nfs/dbraw/zinc/40/98/36/1399409836.db2.gz IQMPGTXPUDPKCN-HNNXBMFYSA-N 0 0 392.415 3.045 40 0 GGABRN CCc1noc(-c2ccccc2NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000021792218 1399409952 /nfs/dbraw/zinc/40/99/52/1399409952.db2.gz WKYQLEUTVVHKLJ-INIZCTEOSA-N 0 0 390.443 3.286 40 0 GGABRN COc1ccc(CN(C)C(=O)CCC(=O)c2cccs2)c(OC)c1OC ZINC000021922434 1399423426 /nfs/dbraw/zinc/42/34/26/1399423426.db2.gz JXFMJZQZNVEMCT-UHFFFAOYSA-N 0 0 377.462 3.395 40 0 GGABRN CCN(CC(=O)NC(C)(C)C)C(=O)c1cccc(OCc2c(C)noc2C)c1 ZINC000021921746 1399423735 /nfs/dbraw/zinc/42/37/35/1399423735.db2.gz DXCIOOUSSRXLFS-UHFFFAOYSA-N 0 0 387.480 3.247 40 0 GGABRN CC[C@H](C)NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022352200 1399455792 /nfs/dbraw/zinc/45/57/92/1399455792.db2.gz OJZVAMXCCZOECP-INIZCTEOSA-N 0 0 392.496 3.240 40 0 GGABRN CCCOc1ccccc1NC(=O)CNC(=O)c1cccc(OC(F)F)c1 ZINC000022355319 1399456470 /nfs/dbraw/zinc/45/64/70/1399456470.db2.gz JENYBDBFVFYBLP-UHFFFAOYSA-N 0 0 378.375 3.445 40 0 GGABRN CCCC1(CCC)NC(=O)N(CC(=O)Nc2nc3ccc(F)cc3s2)C1=O ZINC000022357353 1399456548 /nfs/dbraw/zinc/45/65/48/1399456548.db2.gz XRBPMAXISQZTEX-UHFFFAOYSA-N 0 0 392.456 3.265 40 0 GGABRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000022534333 1399472587 /nfs/dbraw/zinc/47/25/87/1399472587.db2.gz CKEYUSZPOGNXOY-HNNXBMFYSA-N 0 0 375.494 3.101 40 0 GGABRN C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O ZINC000022533984 1399472661 /nfs/dbraw/zinc/47/26/61/1399472661.db2.gz VFXJNFDZLNJBBX-XMMPIXPASA-N 0 0 388.467 3.314 40 0 GGABRN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000022973737 1399520553 /nfs/dbraw/zinc/52/05/53/1399520553.db2.gz BOHBMIDUIFQPOF-PBHICJAKSA-N 0 0 386.423 3.141 40 0 GGABRN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000022973748 1399520596 /nfs/dbraw/zinc/52/05/96/1399520596.db2.gz BOHBMIDUIFQPOF-WMLDXEAASA-N 0 0 386.423 3.141 40 0 GGABRN O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(COc2ccc(F)cc2)o1 ZINC000023682005 1399579512 /nfs/dbraw/zinc/57/95/12/1399579512.db2.gz RIRFXTUNAQEDBU-UHFFFAOYSA-N 0 0 379.351 3.226 40 0 GGABRN COc1ccccc1[C@@H](C)NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 ZINC000023690798 1399579720 /nfs/dbraw/zinc/57/97/20/1399579720.db2.gz NYQNPSUIYZDTOW-MRXNPFEDSA-N 0 0 379.460 3.289 40 0 GGABRN CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000023996146 1399595269 /nfs/dbraw/zinc/59/52/69/1399595269.db2.gz LSXPTTOMZAWFHS-CQSZACIVSA-N 0 0 399.878 3.471 40 0 GGABRN Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000024226306 1399613831 /nfs/dbraw/zinc/61/38/31/1399613831.db2.gz VBMBCEDCVOTKAC-OTJDAXFFSA-N 0 0 394.431 3.205 40 0 GGABRN O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc(O)cc1 ZINC000028072470 1400126322 /nfs/dbraw/zinc/12/63/22/1400126322.db2.gz XTZFUKHZRVNXPM-UHFFFAOYSA-N 0 0 377.429 3.252 40 0 GGABRN O=C(NCCc1c[nH]c2ccccc12)c1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000028296868 1400147237 /nfs/dbraw/zinc/14/72/37/1400147237.db2.gz FFPOBKBITNIVEF-WOJGMQOQSA-N 0 0 391.452 3.464 40 0 GGABRN CCOc1ccc(C(=O)Cn2nc(N)n(Nc3cccc(C)c3)c2=S)cc1 ZINC000028535308 1400175350 /nfs/dbraw/zinc/17/53/50/1400175350.db2.gz FPUHCZCFKALIFZ-UHFFFAOYSA-N 0 0 383.477 3.462 40 0 GGABRN 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GGABRN Cc1cc(-c2cnc(NCCCN3CCOCC3)nc2-c2ccc(C)o2)on1 ZINC000019216685 207107872 /nfs/dbraw/zinc/10/78/72/207107872.db2.gz CXXHZGFNTKHNAN-UHFFFAOYSA-N 0 0 383.452 3.143 40 0 GGABRN COc1cc2c(cc1OC)[C@@H](c1cnc(C)nc1)N[C@@H](c1ccc(C)cn1)C2 ZINC000019216100 207107928 /nfs/dbraw/zinc/10/79/28/207107928.db2.gz LARHFZXZRBXGRB-DENIHFKCSA-N 0 0 376.460 3.482 40 0 GGABRN Cc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1C ZINC000019213786 207108205 /nfs/dbraw/zinc/10/82/05/207108205.db2.gz SVYQDUNONNHNKY-SFHVURJKSA-N 0 0 383.492 3.222 40 0 GGABRN Cc1ccc(-c2cc(C[C@]3(C(=O)N(C)C)CCCN(C(=O)C4CC4)C3)on2)cc1 ZINC000019212231 207108265 /nfs/dbraw/zinc/10/82/65/207108265.db2.gz RYIINXFCGLCFJM-HSZRJFAPSA-N 0 0 395.503 3.300 40 0 GGABRN Cc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4cccc(F)c4)C3)n2)o1 ZINC000019216769 207108313 /nfs/dbraw/zinc/10/83/13/207108313.db2.gz AWZXRLSQJHMIHB-ZDUSSCGKSA-N 0 0 391.424 3.345 40 0 GGABRN Cc1ccc(-c2nnc(CNC(=O)COc3ccc(C(C)(C)C)cc3)o2)cn1 ZINC000019215291 207108378 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Cn1ccnc1[C@H](O)c1ccccc1N1CCN(Cc2ccc(F)cc2F)CC1 ZINC000019291342 207112894 /nfs/dbraw/zinc/11/28/94/207112894.db2.gz DSZKKVCWKJPIIS-OAQYLSRUSA-N 0 0 398.457 3.102 40 0 GGABRN Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccn(C(F)F)n3)ccc21 ZINC000019289832 207112922 /nfs/dbraw/zinc/11/29/22/207112922.db2.gz CQQQMGOAWBFYRL-UHFFFAOYSA-N 0 0 388.422 3.403 40 0 GGABRN Cc1nccn1C[C@@H](C)C(=O)N1CCc2onc(Nc3ccccc3F)c2C1 ZINC000019287716 207112944 /nfs/dbraw/zinc/11/29/44/207112944.db2.gz YIDZBRUDXXLJIG-CYBMUJFWSA-N 0 0 383.427 3.283 40 0 GGABRN COc1cccc(CC(=O)N2CC[C@@H](c3nc(C)ncc3-c3ccccn3)C2)c1 ZINC000019286891 207113191 /nfs/dbraw/zinc/11/31/91/207113191.db2.gz VSAVKRPRNKCUQP-GOSISDBHSA-N 0 0 388.471 3.414 40 0 GGABRN CSc1nnc([C@@H]2CCCN2C(=O)[C@H](C)n2c(C)nc3ccccc32)n1C ZINC000019286649 207113328 /nfs/dbraw/zinc/11/33/28/207113328.db2.gz MZRYRNJFSGJJQP-LRDDRELGSA-N 0 0 384.509 3.120 40 0 GGABRN Cn1nc(-c2ccc(F)cc2)cc1CN1CCC(NC(=O)c2cscn2)CC1 ZINC000019288919 207113583 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383.467 3.299 40 0 GGABRN O=C(CCC(=O)N1CCC(c2cc3ncccc3cn2)CC1)Nc1nccs1 ZINC000019347386 207119028 /nfs/dbraw/zinc/11/90/28/207119028.db2.gz DNFXNWUXNLWOHG-UHFFFAOYSA-N 0 0 395.488 3.211 40 0 GGABRN O=C(c1c(F)cccc1Cl)N1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000019374818 207119423 /nfs/dbraw/zinc/11/94/23/207119423.db2.gz NBNGMUOEJVYACB-UHFFFAOYSA-N 0 0 388.826 3.276 40 0 GGABRN O=C(NCC1(c2cccc(F)c2)CCCC1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000019401447 207119626 /nfs/dbraw/zinc/11/96/26/207119626.db2.gz RQPGTJZWHFUWDA-KRWDZBQOSA-N 0 0 395.478 3.197 40 0 GGABRN O=C(CN1CCC(c2ccnc3nc4ccccc4n32)CC1)Nc1ccccn1 ZINC000019376664 207119757 /nfs/dbraw/zinc/11/97/57/207119757.db2.gz GOZPNJDBTLMOJE-UHFFFAOYSA-N 0 0 386.459 3.096 40 0 GGABRN O=C1N[C@@]2(CCN(Cc3cc4c(cc3Cl)OCO4)C2)CCc2ccccc21 ZINC000019375232 207119975 /nfs/dbraw/zinc/11/99/75/207119975.db2.gz YGHXIQZNFWKSKA-OAQYLSRUSA-N 0 0 384.863 3.389 40 0 GGABRN O=C(c1ccccn1)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)C1CC1 ZINC000019400208 207120070 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/nfs/dbraw/zinc/12/35/78/207123578.db2.gz ZRRWWKMGBAUQIV-MRXNPFEDSA-N 0 0 399.520 3.025 40 0 GGABRN C[C@@]1(C(=O)N2CCC(C(=O)c3cccnc3)CC2)CC(c2ccccc2F)=NO1 ZINC000019460869 207123593 /nfs/dbraw/zinc/12/35/93/207123593.db2.gz DXYBQPUVQQVTSK-QFIPXVFZSA-N 0 0 395.434 3.225 40 0 GGABRN C[C@H](NC(=O)CCc1nc(-c2ccccn2)no1)c1ccc2c(c1)CCCO2 ZINC000019458877 207123632 /nfs/dbraw/zinc/12/36/32/207123632.db2.gz CAKHRAZPRFPHHW-AWEZNQCLSA-N 0 0 378.432 3.267 40 0 GGABRN C[C@@H](NC(=O)C1CCC2(CC1)CN(C)C(=O)c1ccccc1O2)c1ccncc1 ZINC000019459727 207123817 /nfs/dbraw/zinc/12/38/17/207123817.db2.gz QHGMMGQTFXHVKH-NEAIJXHWSA-N 0 0 393.487 3.352 40 0 GGABRN C[C@@H](NC(=O)c1cccc(N2C(=O)C[C@@H](C)C2=O)c1)c1ccc2c(c1)CCCO2 ZINC000019462372 207123954 /nfs/dbraw/zinc/12/39/54/207123954.db2.gz OWSFUJDUROCDSW-HUUCEWRRSA-N 0 0 392.455 3.402 40 0 GGABRN C[C@@]1(C(=O)N2CCC(C(=O)c3cccnc3)CC2)CC(c2ccc(F)cc2)=NO1 ZINC000019460845 207123975 /nfs/dbraw/zinc/12/39/75/207123975.db2.gz NKQXNTVDLOUCGB-QFIPXVFZSA-N 0 0 395.434 3.225 40 0 GGABRN CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)[C@@H](C)c1ccccc1)C2 ZINC000019459345 207124095 /nfs/dbraw/zinc/12/40/95/207124095.db2.gz NQYYRTIBMRBKTJ-KKSFZXQISA-N 0 0 392.503 3.239 40 0 GGABRN COc1ccc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(C(C)C)n2)c2ccccc2)cn1 ZINC000019453578 207124117 /nfs/dbraw/zinc/12/41/17/207124117.db2.gz IMPOMRZYVOOPRQ-SFHVURJKSA-N 0 0 392.459 3.011 40 0 GGABRN CC1(C)Cc2nc(N3CCCC3)ncc2[C@H](NC(=O)c2ccc3c(c2)OCO3)C1 ZINC000019461411 207124138 /nfs/dbraw/zinc/12/41/38/207124138.db2.gz QEBADSHZTHSTDM-MRXNPFEDSA-N 0 0 394.475 3.249 40 0 GGABRN CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1cnn(C(C)C)c1 ZINC000019454942 207124149 /nfs/dbraw/zinc/12/41/49/207124149.db2.gz AVAJDXZLHOEZLI-NJDAHSKKSA-N 0 0 398.482 3.222 40 0 GGABRN CC(C)c1nc2c(c(N3CCOCC3)n1)CCN(Cc1ccc(F)cc1F)C2 ZINC000019453701 207124183 /nfs/dbraw/zinc/12/41/83/207124183.db2.gz WGOCEBULAQEPHC-UHFFFAOYSA-N 0 0 388.462 3.273 40 0 GGABRN C[C@@H](NC(=O)C[C@H]1NC(=O)N(C2CCCCC2)C1=O)c1ccc2c(c1)CCCC2 ZINC000019458782 207124301 /nfs/dbraw/zinc/12/43/01/207124301.db2.gz LLQHYBVOTFVRNA-FOIQADDNSA-N 0 0 397.519 3.386 40 0 GGABRN CC(C)c1nc(C[C@@H](NC(=O)Cc2ccccn2)c2ccc(F)cc2)cc(=O)[nH]1 ZINC000019453506 207124308 /nfs/dbraw/zinc/12/43/08/207124308.db2.gz DNVZVVWJRINGDD-LJQANCHMSA-N 0 0 394.450 3.070 40 0 GGABRN CCC(=O)N1CCC[C@](Cc2ccccc2-c2cncnc2)(C(=O)NC(C)C)C1 ZINC000019498680 207124441 /nfs/dbraw/zinc/12/44/41/207124441.db2.gz VTAIXLYAMTUSTE-HSZRJFAPSA-N 0 0 394.519 3.230 40 0 GGABRN CC(C)c1nc(N2CCC(NC(=O)[C@@H]3C[C@H]3C)CC2)ncc1-c1ccncc1 ZINC000019495861 207124864 /nfs/dbraw/zinc/12/48/64/207124864.db2.gz FDKOWGLQPYEUJA-CRAIPNDOSA-N 0 0 379.508 3.403 40 0 GGABRN CCC(=O)N1CC[C@](Cc2ccc(-c3cccnc3)cc2)(C(=O)NC(C)C)C1 ZINC000019498413 207124969 /nfs/dbraw/zinc/12/49/69/207124969.db2.gz RBOBUESSYMPADP-HSZRJFAPSA-N 0 0 379.504 3.444 40 0 GGABRN CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)CC)C1 ZINC000019498667 207125148 /nfs/dbraw/zinc/12/51/48/207125148.db2.gz YQOFACADAKELLB-HSZRJFAPSA-N 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ZINC000019498561 207125881 /nfs/dbraw/zinc/12/58/81/207125881.db2.gz TUAYEXIENQMUJA-DYESRHJHSA-N 0 0 390.455 3.291 40 0 GGABRN COc1cccc(CN2CCN(C(=O)c3cnc(C(C)(C)C)nc3)[C@@H](C)C2)c1 ZINC000019497774 207125884 /nfs/dbraw/zinc/12/58/84/207125884.db2.gz WCAXNFNFITWIRD-INIZCTEOSA-N 0 0 382.508 3.129 40 0 GGABRN CCC(=O)N1CCC[C@@](Cc2ccc(-c3ccc(OC)cc3)cc2)(C(N)=O)C1 ZINC000019498579 207125897 /nfs/dbraw/zinc/12/58/97/207125897.db2.gz IBFCPRFVSAKGMS-QHCPKHFHSA-N 0 0 380.488 3.409 40 0 GGABRN CCC(=O)N1CCO[C@@](Cc2ccccc2-c2ccc(F)cc2)(C(=O)N(C)C)C1 ZINC000019498978 207125930 /nfs/dbraw/zinc/12/59/30/207125930.db2.gz IZYXWUZPQBDFPU-HSZRJFAPSA-N 0 0 398.478 3.131 40 0 GGABRN CCc1sc(NC(=O)Cc2nnn(C(C)C)n2)nc1-c1ccc(OC)cc1 ZINC000019521614 207126293 /nfs/dbraw/zinc/12/62/93/207126293.db2.gz IKYXYFVHWPFBGR-UHFFFAOYSA-N 0 0 386.481 3.130 40 0 GGABRN CCCC(=O)N1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](C(C)C)CC3 ZINC000019501384 207126346 /nfs/dbraw/zinc/12/63/46/207126346.db2.gz 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GGABRN C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(N[C@@H]2CCOc3ccccc32)n1 ZINC000019457451 207122895 /nfs/dbraw/zinc/12/28/95/207122895.db2.gz JHCLYLPIEBVICV-IUODEOHRSA-N 0 0 385.855 3.359 40 0 GGABRN C[C@@H](NC(=O)CCc1nc(-c2ccncc2)no1)c1ccc2c(c1)CCCO2 ZINC000019458880 207122918 /nfs/dbraw/zinc/12/29/18/207122918.db2.gz OVMWFANVHXNBLZ-CQSZACIVSA-N 0 0 378.432 3.267 40 0 GGABRN C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(N[C@@H]2CCOc3ccccc32)n1 ZINC000019457449 207122924 /nfs/dbraw/zinc/12/29/24/207122924.db2.gz JHCLYLPIEBVICV-SWLSCSKDSA-N 0 0 385.855 3.359 40 0 GGABRN COc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)n[nH]2)c1 ZINC000019462202 207123217 /nfs/dbraw/zinc/12/32/17/207123217.db2.gz UIIWOLZPUSDOSE-LLVKDONJSA-N 0 0 378.388 3.057 40 0 GGABRN COc1ccc(CNc2ncc(-c3cnccn3)c([C@@H]3CCCO3)n2)cc1OC ZINC000019561259 207133893 /nfs/dbraw/zinc/13/38/93/207133893.db2.gz XJLDORWGOGAABV-SFHVURJKSA-N 0 0 393.447 3.414 40 0 GGABRN Cc1noc2nc([C@H]3CCCN(C(=O)c4cnn(C)c4)C3)cc(C(F)(F)F)c12 ZINC000019564258 207133969 /nfs/dbraw/zinc/13/39/69/207133969.db2.gz MQIPQMJTRZJUSK-NSHDSACASA-N 0 0 393.369 3.303 40 0 GGABRN COc1cccc(CC(=O)NCCn2cc(-c3ccncc3)c(C3CC3)n2)c1 ZINC000019564529 207134109 /nfs/dbraw/zinc/13/41/09/207134109.db2.gz GXSDSAYMMBIMAA-UHFFFAOYSA-N 0 0 376.460 3.190 40 0 GGABRN Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)c2cccnc2)c1C ZINC000019558525 207134299 /nfs/dbraw/zinc/13/42/99/207134299.db2.gz QBPAPBKZFOPXIL-KRWDZBQOSA-N 0 0 392.463 3.187 40 0 GGABRN COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@@H]2N(C(=O)C2CC2)C3)cc1OC ZINC000019561618 207134404 /nfs/dbraw/zinc/13/44/04/207134404.db2.gz GDYSIRMNLBVJGL-JKSUJKDBSA-N 0 0 382.464 3.198 40 0 GGABRN COc1ccccc1CC(=O)N1CCC(c2nnc(-c3scnc3C)o2)CC1 ZINC000019563148 207134687 /nfs/dbraw/zinc/13/46/87/207134687.db2.gz FSPDVVAIUUCVGQ-UHFFFAOYSA-N 0 0 398.488 3.459 40 0 GGABRN COc1ccc(NC(=O)c2cc(C3CCN(C(=O)C4CCCC4)CC3)no2)cn1 ZINC000019561920 207134790 /nfs/dbraw/zinc/13/47/90/207134790.db2.gz UDKJWILLZYVCJB-UHFFFAOYSA-N 0 0 398.463 3.227 40 0 GGABRN 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ZINC000019700303 207151097 /nfs/dbraw/zinc/15/10/97/207151097.db2.gz MOAWKXXZLHENCF-UHFFFAOYSA-N 0 0 394.515 3.240 40 0 GGABRN O=C1[C@H](C2CCN(c3cncnc3)CC2)CC=CCN1Cc1ccc(F)cc1 ZINC000019703356 207151254 /nfs/dbraw/zinc/15/12/54/207151254.db2.gz GGKCQHUFSNALJC-NRFANRHFSA-N 0 0 380.467 3.437 40 0 GGABRN Cn1c(-c2ccc(F)cc2)cnc1NC(=O)CC[C@@H]1C(=O)Nc2ccccc21 ZINC000019714406 207151505 /nfs/dbraw/zinc/15/15/05/207151505.db2.gz RMTZQJJPFXCLGL-INIZCTEOSA-N 0 0 378.407 3.103 40 0 GGABRN CCOc1ccc([C@@H]2CCCN2C(=O)c2nc3ccccc3n(C)c2=O)cc1 ZINC000019714964 207151786 /nfs/dbraw/zinc/15/17/86/207151786.db2.gz WEIMIPLBQYAVNX-SFHVURJKSA-N 0 0 377.444 3.310 40 0 GGABRN CC1CCN(S(=O)(=O)N(Cc2ccccc2)[C@H]2CCOC(C)(C)C2)CC1 ZINC000019714041 207152223 /nfs/dbraw/zinc/15/22/23/207152223.db2.gz SRKJJPKMCOSBGX-IBGZPJMESA-N 0 0 380.554 3.423 40 0 GGABRN O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cc(COc2ccc(F)cc2)on1 ZINC000019714669 207152389 /nfs/dbraw/zinc/15/23/89/207152389.db2.gz OHAQMJJTTOVVGB-UHFFFAOYSA-N 0 0 379.351 3.430 40 0 GGABRN Cn1c(CCC(=O)Nc2cccc(Cn3cncn3)c2)nc2cc(Cl)ccc21 ZINC000019714250 207152472 /nfs/dbraw/zinc/15/24/72/207152472.db2.gz HUUMNXXAXMTVSM-UHFFFAOYSA-N 0 0 394.866 3.438 40 0 GGABRN O=C(Cc1csc(-c2ccccc2)n1)N[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000019715107 207152943 /nfs/dbraw/zinc/15/29/43/207152943.db2.gz KOIHVZZZGXZIEQ-OAHLLOKOSA-N 0 0 395.459 3.413 40 0 GGABRN CC(C)c1cc(C(=O)N[C@H](C)Cc2cn(C)c3ccc(F)cc23)nn2cnnc12 ZINC000019714605 207153052 /nfs/dbraw/zinc/15/30/52/207153052.db2.gz MYGLEUXOGYRSOS-CYBMUJFWSA-N 0 0 394.454 3.240 40 0 GGABRN CCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CC1CCOCC1)CCC2 ZINC000019752524 207159711 /nfs/dbraw/zinc/15/97/11/207159711.db2.gz DRYRFBGBRLOHQG-LJQANCHMSA-N 0 0 386.540 3.428 40 0 GGABRN Cc1nn(C)cc1-c1cc(C(=O)N[C@@H](C)c2cnn(C)c2C)c2ccccc2n1 ZINC000019716446 207153311 /nfs/dbraw/zinc/15/33/11/207153311.db2.gz CIRWQJNXJBOOSS-ZDUSSCGKSA-N 0 0 388.475 3.477 40 0 GGABRN Cn1cc(CCNC(=O)c2ccc(N3CCOCC3)cc2)c2cc(F)ccc21 ZINC000019717122 207153432 /nfs/dbraw/zinc/15/34/32/207153432.db2.gz PQMXIQRCBPFSIW-UHFFFAOYSA-N 0 0 381.451 3.127 40 0 GGABRN COc1ccc(-c2nc(C(=O)Nc3ccc4nc[nH]c(=O)c4c3)cs2)cc1 ZINC000019717274 207153437 /nfs/dbraw/zinc/15/34/37/207153437.db2.gz ZNDZUSADMHKHDB-UHFFFAOYSA-N 0 0 378.413 3.308 40 0 GGABRN Cc1nn(C)c(C)c1CCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000019715498 207153462 /nfs/dbraw/zinc/15/34/62/207153462.db2.gz GOGXMFOPBFTEDW-UHFFFAOYSA-N 0 0 376.309 3.006 40 0 GGABRN O=C(CN1CCC[C@H](Cn2ccnc2)C1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000019716007 207153498 /nfs/dbraw/zinc/15/34/98/207153498.db2.gz NJWULSRNOGNCJW-HNNXBMFYSA-N 0 0 399.495 3.496 40 0 GGABRN C[C@H](c1cc(=O)[nH]c(N[C@@H](C)c2ccccc2)n1)n1ncc2ccccc2c1=O ZINC000019717554 207153593 /nfs/dbraw/zinc/15/35/93/207153593.db2.gz CNPWCPJCUQRDIU-LSDHHAIUSA-N 0 0 387.443 3.262 40 0 GGABRN CNc1cc(C(=O)Nc2ccc(N3CCCC3)c(C(=O)N3CCCC3)c2)ccn1 ZINC000019717646 207153615 /nfs/dbraw/zinc/15/36/15/207153615.db2.gz GCPAEXOVSJSULR-UHFFFAOYSA-N 0 0 393.491 3.212 40 0 GGABRN CN(CC(=O)Nc1ccc2ncccc2c1)Cc1ccccc1N1CCOCC1 ZINC000019715557 207153652 /nfs/dbraw/zinc/15/36/52/207153652.db2.gz SULATYVVMYARAG-UHFFFAOYSA-N 0 0 390.487 3.142 40 0 GGABRN CCn1cc(NC(=O)CN2CCC[C@H](Cc3nc4cc(F)ccc4[nH]3)C2)c(C)n1 ZINC000019715570 207153672 /nfs/dbraw/zinc/15/36/72/207153672.db2.gz RNIYKICLCANQOH-OAHLLOKOSA-N 0 0 398.486 3.120 40 0 GGABRN Cc1cc(N)n(-c2ccc(C(=O)NCc3ccccc3N3CCCC3)cc2)n1 ZINC000019717854 207153692 /nfs/dbraw/zinc/15/36/92/207153692.db2.gz HUCLHANNGWRNCJ-UHFFFAOYSA-N 0 0 375.476 3.293 40 0 GGABRN Cc1nc([C@H]2CCCCN2C(=O)CCc2ccccc2)ncc1C(=O)N(C)C ZINC000019754211 207159784 /nfs/dbraw/zinc/15/97/84/207159784.db2.gz WJDGFUIHJWPKHB-LJQANCHMSA-N 0 0 380.492 3.173 40 0 GGABRN O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1ccc(N2CCCCC2)cc1 ZINC000019716079 207153858 /nfs/dbraw/zinc/15/38/58/207153858.db2.gz FBFYIFDSJUNSIK-UHFFFAOYSA-N 0 0 390.480 3.020 40 0 GGABRN C[C@]1(C(=O)Nc2ccccc2OCc2ccccn2)CC(=O)N2C=CC=CC2=N1 ZINC000019716723 207153934 /nfs/dbraw/zinc/15/39/34/207153934.db2.gz LMFZGRRRGWQOFK-JOCHJYFZSA-N 0 0 388.427 3.072 40 0 GGABRN COc1cccc([C@@H]2c3ccccc3CCN2CC(=O)Nc2cnn(C)c2)c1 ZINC000019715506 207153952 /nfs/dbraw/zinc/15/39/52/207153952.db2.gz YRUNGUQFTWPHQR-JOCHJYFZSA-N 0 0 376.460 3.015 40 0 GGABRN Cc1c(-c2cc(C(=O)N[C@@H](C)c3cnn(C)c3C)c3ccccc3n2)cnn1C ZINC000019716511 207154200 /nfs/dbraw/zinc/15/42/00/207154200.db2.gz IAOICOYUAGWWJC-ZDUSSCGKSA-N 0 0 388.475 3.477 40 0 GGABRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)n(C)n1 ZINC000019717153 207154417 /nfs/dbraw/zinc/15/44/17/207154417.db2.gz HHJBXLAPIKKTCJ-GFCCVEGCSA-N 0 0 385.899 3.452 40 0 GGABRN CC[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000019715373 207154445 /nfs/dbraw/zinc/15/44/45/207154445.db2.gz MFHTXQFDQFDVCK-XZSJUEPFSA-N 0 0 389.471 3.236 40 0 GGABRN CCOc1cccc2sc(NC(=O)c3ccc(-n4nnnc4C)cc3)nc21 ZINC000019717026 207154712 /nfs/dbraw/zinc/15/47/12/207154712.db2.gz GUVFHPYZXMHMEB-UHFFFAOYSA-N 0 0 380.433 3.231 40 0 GGABRN O=C(N[C@@H](CCN1CCOCC1)c1ccccc1)c1cn2cc(Cl)ccc2n1 ZINC000019716770 207154776 /nfs/dbraw/zinc/15/47/76/207154776.db2.gz XBNRLMATZSQGST-SFHVURJKSA-N 0 0 398.894 3.181 40 0 GGABRN COc1ccc(C2(CNC(=O)c3cn4cccc(C)c4n3)CCOCC2)cc1 ZINC000019718777 207154895 /nfs/dbraw/zinc/15/48/95/207154895.db2.gz SNIPKFXDMNCECQ-UHFFFAOYSA-N 0 0 379.460 3.130 40 0 GGABRN Cc1nn(-c2ccc(F)cc2)c(C)c1-c1cncn1[C@H](C)CN1CCOCC1 ZINC000019719650 207155006 /nfs/dbraw/zinc/15/50/06/207155006.db2.gz UGXQHTRYBLIRDW-OAHLLOKOSA-N 0 0 383.471 3.385 40 0 GGABRN Cc1noc(CCC(=O)N2CCC[C@H](Cc3nc4cc(Cl)ccc4[nH]3)C2)n1 ZINC000019719172 207155476 /nfs/dbraw/zinc/15/54/76/207155476.db2.gz NANXVGIXGXWJKR-CYBMUJFWSA-N 0 0 387.871 3.322 40 0 GGABRN CCc1noc(CCC(=O)N2CCc3nc(-c4ccccc4F)sc3C2)n1 ZINC000019719836 207155624 /nfs/dbraw/zinc/15/56/24/207155624.db2.gz IXKASQQCNSFSMB-UHFFFAOYSA-N 0 0 386.452 3.412 40 0 GGABRN COc1ccc2c(c1)[C@H](CCNC(=O)Cc1nc3cc(Cl)ccc3[nH]1)C(=O)N2 ZINC000019718978 207155755 /nfs/dbraw/zinc/15/57/55/207155755.db2.gz POQJJFVEZXDVDK-ZDUSSCGKSA-N 0 0 398.850 3.010 40 0 GGABRN Cn1cnc2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCOCC3)ccc21 ZINC000019718436 207155795 /nfs/dbraw/zinc/15/57/95/207155795.db2.gz KITCYBVBPIYRGW-HXUWFJFHSA-N 0 0 398.894 3.030 40 0 GGABRN O=C(CCOc1cccc(F)c1)N1CCc2nc(-c3cncnc3)sc2C1 ZINC000019719868 207155868 /nfs/dbraw/zinc/15/58/68/207155868.db2.gz FVYYQKNAKGWPBA-UHFFFAOYSA-N 0 0 384.436 3.093 40 0 GGABRN CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3cn(C)nc3C)n[nH]2)cc1 ZINC000019718735 207156002 /nfs/dbraw/zinc/15/60/02/207156002.db2.gz DSYFQMGLTCYFFX-FQEVSTJZSA-N 0 0 379.464 3.495 40 0 GGABRN COc1cc(OC)cc(-c2nnc(NC(=O)c3ccc4c(c3)ncn4C)s2)c1 ZINC000019718637 207156157 /nfs/dbraw/zinc/15/61/57/207156157.db2.gz INGAVSKDPGDKDJ-UHFFFAOYSA-N 0 0 395.444 3.361 40 0 GGABRN C[C@@H](Cn1cncc1-c1cnc(N2CCOCC2)nc1)Oc1ccccc1Cl ZINC000019719321 207156316 /nfs/dbraw/zinc/15/63/16/207156316.db2.gz MLHXZYDKRDQCJA-HNNXBMFYSA-N 0 0 399.882 3.298 40 0 GGABRN COCc1c(C)onc1C(=O)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000019718559 207156387 /nfs/dbraw/zinc/15/63/87/207156387.db2.gz NPPILVHUCSWUAN-UHFFFAOYSA-N 0 0 383.370 3.111 40 0 GGABRN COc1ccccc1CCCn1cncc1-c1cnc(N2CCOCC2)s1 ZINC000019719538 207156408 /nfs/dbraw/zinc/15/64/08/207156408.db2.gz QSGRPMPWAWIDEB-UHFFFAOYSA-N 0 0 384.505 3.485 40 0 GGABRN CCc1noc(C)c1C(=O)N1CC[C@@H](C(=O)NCCc2ccc(Cl)cc2)C1 ZINC000019747894 207156620 /nfs/dbraw/zinc/15/66/20/207156620.db2.gz DOPQMVDTGDIVCS-OAHLLOKOSA-N 0 0 389.883 3.020 40 0 GGABRN O=C(CCc1ccc(F)cc1)Nc1cnn(CC(=O)Nc2ccc(F)cc2)c1 ZINC000019746095 207156724 /nfs/dbraw/zinc/15/67/24/207156724.db2.gz HQKYKAZAMVRQNR-UHFFFAOYSA-N 0 0 384.386 3.371 40 0 GGABRN Cc1cc2ncc(CN(C)C)c([C@H]3CCCN3C(=O)CCc3ccccc3)n2n1 ZINC000019743645 207156880 /nfs/dbraw/zinc/15/68/80/207156880.db2.gz BPGCWPYVUHJLAW-HXUWFJFHSA-N 0 0 391.519 3.396 40 0 GGABRN Cc1cc2ncc(CN(C)C)c([C@H]3CCCN3C(=O)c3ccc(F)cc3)n2n1 ZINC000019743672 207156979 /nfs/dbraw/zinc/15/69/79/207156979.db2.gz FLDANPANGSKJQH-GOSISDBHSA-N 0 0 381.455 3.216 40 0 GGABRN CC(C)(Oc1ccc(F)cc1)C(=O)N1CC[C@H](C(=O)NCCc2ccccc2)C1 ZINC000019747976 207157261 /nfs/dbraw/zinc/15/72/61/207157261.db2.gz NGCKSKUCJLXANB-SFHVURJKSA-N 0 0 398.478 3.191 40 0 GGABRN Cc1nc([C@H]2CCCCN2C(=O)c2ccccc2)nc2c1CC(=O)N2CC1CC1 ZINC000019740231 207157300 /nfs/dbraw/zinc/15/73/00/207157300.db2.gz YWYFCCNJXMZHLM-LJQANCHMSA-N 0 0 390.487 3.452 40 0 GGABRN Cc1[nH]c2cccc(C(=O)N3CCO[C@@](C)(C(=O)NC4CCCC4)C3)c2c1C ZINC000019746834 207157401 /nfs/dbraw/zinc/15/74/01/207157401.db2.gz YPDLSIGMBJAVLI-JOCHJYFZSA-N 0 0 383.492 3.075 40 0 GGABRN O=C(Cc1ccccc1F)N1CCCC[C@@H]1C1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000019746636 207157951 /nfs/dbraw/zinc/15/79/51/207157951.db2.gz GWWGCEAXPXTYLK-HXUWFJFHSA-N 0 0 398.482 3.025 40 0 GGABRN COc1cccc(CCNC(=O)CC2CCN(C(=O)[C@H]3CC34CCC4)CC2)c1 ZINC000019748428 207158648 /nfs/dbraw/zinc/15/86/48/207158648.db2.gz QDKOMCHILUEXEF-HXUWFJFHSA-N 0 0 384.520 3.173 40 0 GGABRN COc1cccc(CCNC(=O)CC2CCN(C(=O)[C@@H]3CC34CCC4)CC2)c1 ZINC000019748427 207158660 /nfs/dbraw/zinc/15/86/60/207158660.db2.gz QDKOMCHILUEXEF-FQEVSTJZSA-N 0 0 384.520 3.173 40 0 GGABRN CNc1cc(CC2CCN(C(=O)CCc3ccc(OC)cc3)CC2)nc(C)n1 ZINC000019758952 207158795 /nfs/dbraw/zinc/15/87/95/207158795.db2.gz GDAPARXLMQMOML-UHFFFAOYSA-N 0 0 382.508 3.249 40 0 GGABRN COC(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)c2nccc3ccccc32)CC1 ZINC000019749800 207158934 /nfs/dbraw/zinc/15/89/34/207158934.db2.gz FBHQJTVMIADAEG-KRWDZBQOSA-N 0 0 383.492 3.113 40 0 GGABRN Cc1nc([C@@H]2CCCCN2C(=O)CCc2ccccc2)ncc1C(=O)N(C)C ZINC000019754209 207159082 /nfs/dbraw/zinc/15/90/82/207159082.db2.gz WJDGFUIHJWPKHB-IBGZPJMESA-N 0 0 380.492 3.173 40 0 GGABRN CC(C)c1nnc(NC(=O)CC2CCN(C(=O)Cc3ccccc3)CC2)s1 ZINC000019748721 207159101 /nfs/dbraw/zinc/15/91/01/207159101.db2.gz DBIPTIBITRYMHL-UHFFFAOYSA-N 0 0 386.521 3.471 40 0 GGABRN CC(C)NC(=O)c1cc([C@@H]2CCN(C(=O)COC(C)C)C2)nc2ccccc21 ZINC000019760920 207159313 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GGABRN O=S(=O)(Cc1ccccc1)N1CCC[C@H]1c1cncc(Nc2ccccn2)n1 ZINC000072376320 208007757 /nfs/dbraw/zinc/00/77/57/208007757.db2.gz ZMPZWSBMZROTHZ-SFHVURJKSA-N 0 0 395.488 3.282 40 0 GGABRN COc1ccc(CCC(=O)N2CCCC[C@H]2c2ccc3c(N)ncnc3n2)cc1 ZINC000072374632 208008565 /nfs/dbraw/zinc/00/85/65/208008565.db2.gz HMAFCHCOUZXQFU-IBGZPJMESA-N 0 0 391.475 3.302 40 0 GGABRN O=C(Cc1ccc(F)cc1)N1CCCC[C@@H]1c1ccnc(Nc2cncnc2)n1 ZINC000072377942 208008641 /nfs/dbraw/zinc/00/86/41/208008641.db2.gz NFEHWFRICARBPA-LJQANCHMSA-N 0 0 392.438 3.446 40 0 GGABRN O=C(c1cc[nH]n1)N1CC[C@@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072378167 208008684 /nfs/dbraw/zinc/00/86/84/208008684.db2.gz OBKXFJWCPHNDRP-CYBMUJFWSA-N 0 0 385.855 3.037 40 0 GGABRN Cc1cc(Cc2ccccc2)cc([C@@H]2CCN(S(=O)(=O)N3CCCC3)C2)n1 ZINC000072374751 208008753 /nfs/dbraw/zinc/00/87/53/208008753.db2.gz ZTIONGILZXFICB-HXUWFJFHSA-N 0 0 385.533 3.111 40 0 GGABRN COc1cccc(C(=O)N2CC[C@H](c3cc(-c4cnn(C)c4)cc(C)n3)C2)c1 ZINC000072374642 208008954 /nfs/dbraw/zinc/00/89/54/208008954.db2.gz UYUBXLYDSPASPG-KRWDZBQOSA-N 0 0 376.460 3.429 40 0 GGABRN CCc1nnc(Nc2cccc(C3CCN(C(=O)c4cnccn4)CC3)n2)s1 ZINC000072376147 208009071 /nfs/dbraw/zinc/00/90/71/208009071.db2.gz MFFMDEKRNMBQKN-UHFFFAOYSA-N 0 0 395.492 3.049 40 0 GGABRN CN(C)c1ncc(-c2ccccc2F)c([C@H]2CCCN2C(=O)c2cnn(C)c2)n1 ZINC000072376637 208009420 /nfs/dbraw/zinc/00/94/20/208009420.db2.gz SPMJDGKBABBHBK-GOSISDBHSA-N 0 0 394.454 3.060 40 0 GGABRN COc1ccccc1OCCc1cc([C@H]2CCN(C(=O)c3cccnc3)C2)[nH]n1 ZINC000072378146 208009444 /nfs/dbraw/zinc/00/94/44/208009444.db2.gz QSBKHRKEEIIDFL-KRWDZBQOSA-N 0 0 392.459 3.065 40 0 GGABRN O=C(Cc1ccccn1)N1CCC[C@@H]1c1cc(CCOc2cccc(F)c2)n[nH]1 ZINC000072378329 208009534 /nfs/dbraw/zinc/00/95/34/208009534.db2.gz AEYKMHDQUMADCA-OAQYLSRUSA-N 0 0 394.450 3.472 40 0 GGABRN O=C(CN1CCC[C@@H](c2cccc(Nc3ccccn3)n2)C1)Nc1nccs1 ZINC000072375963 208009596 /nfs/dbraw/zinc/00/95/96/208009596.db2.gz RMONIGWBODGUML-OAHLLOKOSA-N 0 0 394.504 3.495 40 0 GGABRN Cc1cccc(Nc2cncc([C@@H]3CCCN3S(=O)(=O)c3ccccc3)n2)n1 ZINC000072376273 208009729 /nfs/dbraw/zinc/00/97/29/208009729.db2.gz HDGUKBNXAXWGNN-SFHVURJKSA-N 0 0 395.488 3.449 40 0 GGABRN Cc1n[nH]cc1C(=O)N1CCC(c2cccc(-n3ccnc3C(C)C)n2)CC1 ZINC000072378567 208009756 /nfs/dbraw/zinc/00/97/56/208009756.db2.gz VDWPRFJYSRSBBC-UHFFFAOYSA-N 0 0 378.480 3.442 40 0 GGABRN O=C(c1ccc(F)cc1)N1CCC[C@H](c2ccnc(Nc3cnccn3)n2)C1 ZINC000072377531 208009867 /nfs/dbraw/zinc/00/98/67/208009867.db2.gz IQNVYHWALYVFEP-HNNXBMFYSA-N 0 0 378.411 3.169 40 0 GGABRN NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCCN2C(=O)C2CCCC2)cc1 ZINC000072377067 208010595 /nfs/dbraw/zinc/01/05/95/208010595.db2.gz UQQZHCLTZQAOGQ-SFHVURJKSA-N 0 0 393.491 3.069 40 0 GGABRN O=C(c1n[nH]c2c1CCCC2)N1CCC[C@H]1c1cc(Nc2ccccn2)n[nH]1 ZINC000072382950 208010860 /nfs/dbraw/zinc/01/08/60/208010860.db2.gz QKEZZKZBOOTUEH-INIZCTEOSA-N 0 0 377.452 3.128 40 0 GGABRN CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)C2CC2)CCO1 ZINC000072389238 208010907 /nfs/dbraw/zinc/01/09/07/208010907.db2.gz OACVATGASROIES-JOCHJYFZSA-N 0 0 398.528 3.053 40 0 GGABRN Cc1cc(Nc2ncnc3c2CCN(C(=O)c2cccc(Cl)c2F)C3)n[nH]1 ZINC000072383461 208011186 /nfs/dbraw/zinc/01/11/86/208011186.db2.gz SGPLMHDOCHCCOG-UHFFFAOYSA-N 0 0 386.818 3.243 40 0 GGABRN Cc1nc(CC(=O)N2CCC[C@@H](c3cncc(Oc4cccnc4)n3)C2)cs1 ZINC000072384242 208011465 /nfs/dbraw/zinc/01/14/65/208011465.db2.gz GUKHSZBNWPAVPU-OAHLLOKOSA-N 0 0 395.488 3.378 40 0 GGABRN CCCC(=O)N1CCO[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)NC)C1 ZINC000072389218 208011478 /nfs/dbraw/zinc/01/14/78/208011478.db2.gz WITOGKJPBUFWOL-NRFANRHFSA-N 0 0 386.517 3.101 40 0 GGABRN Cc1nccn1-c1cccc(C2CCN(C(=O)COc3ccccc3)CC2)n1 ZINC000072379030 208011549 /nfs/dbraw/zinc/01/15/49/208011549.db2.gz TXNKUHGHTSBJCM-UHFFFAOYSA-N 0 0 376.460 3.361 40 0 GGABRN Cc1n[nH]cc1C(=O)N1CCC[C@H](c2cccc(-n3ccnc3C(C)C)n2)C1 ZINC000072378998 208011574 /nfs/dbraw/zinc/01/15/74/208011574.db2.gz VRZBWQRRAQPSGV-INIZCTEOSA-N 0 0 378.480 3.442 40 0 GGABRN Cc1nccn1-c1cccc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)n1 ZINC000072379024 208011594 /nfs/dbraw/zinc/01/15/94/208011594.db2.gz IPADUVVVYGLDEM-GOSISDBHSA-N 0 0 376.460 3.361 40 0 GGABRN CCc1c(C)nc([C@H]2CCCN2C(=O)C2(c3ccccc3)CCOCC2)[nH]c1=O ZINC000072389809 208011617 /nfs/dbraw/zinc/01/16/17/208011617.db2.gz VOIBTSDGCCUGMG-LJQANCHMSA-N 0 0 395.503 3.053 40 0 GGABRN CC(C)c1nccn1-c1cccc([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1 ZINC000072379235 208011644 /nfs/dbraw/zinc/01/16/44/208011644.db2.gz MWHDCCWTFSAMMO-MRXNPFEDSA-N 0 0 378.480 3.144 40 0 GGABRN Cc1cc(Oc2ccccc2C)nc([C@@H]2CCN(C(=O)c3cnn(C)c3)C2)n1 ZINC000072384308 208011679 /nfs/dbraw/zinc/01/16/79/208011679.db2.gz HODKBJVNABNLGR-MRXNPFEDSA-N 0 0 377.448 3.249 40 0 GGABRN Cc1ncccc1Oc1nccnc1[C@H]1CCCN(C(=O)c2ccccn2)C1 ZINC000072383857 208011944 /nfs/dbraw/zinc/01/19/44/208011944.db2.gz VNRMZJKTFCKGLZ-INIZCTEOSA-N 0 0 375.432 3.387 40 0 GGABRN CN(C)C(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)C2CC2)CCO1 ZINC000072389237 208012335 /nfs/dbraw/zinc/01/23/35/208012335.db2.gz OACVATGASROIES-QFIPXVFZSA-N 0 0 398.528 3.053 40 0 GGABRN Cc1nn(C)cc1C(=O)N1CCC(c2nccnc2Oc2cccnc2C)CC1 ZINC000072384043 208012353 /nfs/dbraw/zinc/01/23/53/208012353.db2.gz ZBIRKPYPRDVNTC-UHFFFAOYSA-N 0 0 392.463 3.034 40 0 GGABRN Cc1cc(Oc2ccccc2F)nc([C@H]2CCN(C(=O)c3cnccn3)C2)n1 ZINC000072383790 208012362 /nfs/dbraw/zinc/01/23/62/208012362.db2.gz FUTLBAXUBZJAQL-AWEZNQCLSA-N 0 0 379.395 3.136 40 0 GGABRN Cc1ncccc1Oc1nccnc1[C@@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000072383763 208012457 /nfs/dbraw/zinc/01/24/57/208012457.db2.gz CLIUJQMMBCYARM-QGZVFWFLSA-N 0 0 375.432 3.387 40 0 GGABRN CCCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CN(C(C)=O)CCO1 ZINC000072389057 208012520 /nfs/dbraw/zinc/01/25/20/208012520.db2.gz UUPDVEDBSIFBSU-HSZRJFAPSA-N 0 0 380.488 3.040 40 0 GGABRN Cc1nccn1-c1cccc([C@@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)n1 ZINC000072379031 208012586 /nfs/dbraw/zinc/01/25/86/208012586.db2.gz SYMBOMWNQKEONG-QGZVFWFLSA-N 0 0 394.450 3.500 40 0 GGABRN Cc1ncsc1C(=O)N1CCCC[C@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 ZINC000072380559 208012722 /nfs/dbraw/zinc/01/27/22/208012722.db2.gz WCGIHUUIFFAPSK-INIZCTEOSA-N 0 0 387.509 3.214 40 0 GGABRN CCCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CN(C(=O)CC)CCO1 ZINC000072389062 208012861 /nfs/dbraw/zinc/01/28/61/208012861.db2.gz YHYCOYTXEQLCEY-DEOSSOPVSA-N 0 0 394.515 3.430 40 0 GGABRN CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)CC)CCO1 ZINC000072389254 208012953 /nfs/dbraw/zinc/01/29/53/208012953.db2.gz DLXHURVQVQZXQG-NRFANRHFSA-N 0 0 386.517 3.101 40 0 GGABRN CCN(CC)C(=O)CN1CCC[C@@H](c2nccnc2Oc2cccnc2C)C1 ZINC000072383624 208012959 /nfs/dbraw/zinc/01/29/59/208012959.db2.gz PHTMGGGSOCMAAP-QGZVFWFLSA-N 0 0 383.496 3.020 40 0 GGABRN COc1ccc(Oc2cc(C)nc([C@H]3CCN(Cc4cncn4C)C3)n2)cc1 ZINC000072384434 208013004 /nfs/dbraw/zinc/01/30/04/208013004.db2.gz OYMFGGDJGJVPNZ-INIZCTEOSA-N 0 0 379.464 3.309 40 0 GGABRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@@H]1c1cccc(Cl)c1 ZINC000040513041 208036590 /nfs/dbraw/zinc/03/65/90/208036590.db2.gz ABIIEADGXDQNCN-HNNXBMFYSA-N 0 0 396.830 3.439 40 0 GGABRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@H]1c1cccc(Cl)c1 ZINC000040513042 208036940 /nfs/dbraw/zinc/03/69/40/208036940.db2.gz ABIIEADGXDQNCN-OAHLLOKOSA-N 0 0 396.830 3.439 40 0 GGABRN C[C@H]1CN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C[C@@H](c2ccccc2)O1 ZINC000078609958 208063471 /nfs/dbraw/zinc/06/34/71/208063471.db2.gz JCVIGCUITSACTL-YWZLYKJASA-N 0 0 379.460 3.168 40 0 GGABRN COCCCOc1ccc(C(=O)NCC2(O)CCC(C(C)(C)C)CC2)cn1 ZINC000078646859 208064074 /nfs/dbraw/zinc/06/40/74/208064074.db2.gz BENSLWDEHFBHAJ-UHFFFAOYSA-N 0 0 378.513 3.194 40 0 GGABRN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000078494970 208064181 /nfs/dbraw/zinc/06/41/81/208064181.db2.gz OZEGEIAFSZDAET-GOSISDBHSA-N 0 0 392.503 3.350 40 0 GGABRN C[C@H]1Oc2c(cccc2C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)NC1=O ZINC000078501754 208064500 /nfs/dbraw/zinc/06/45/00/208064500.db2.gz PLTKTMHVBPGBGE-RHSMWYFYSA-N 0 0 398.434 3.367 40 0 GGABRN O=C1[C@H](N2CCO[C@H](c3ccc(F)c(F)c3)C2)CCN1c1ccccc1F ZINC000079027867 208071415 /nfs/dbraw/zinc/07/14/15/208071415.db2.gz IYRGBFPSYQZKII-MOPGFXCFSA-N 0 0 376.378 3.283 40 0 GGABRN O=C1[C@@H](N2CCO[C@H](c3ccc(F)c(F)c3)C2)CCN1c1ccccc1F ZINC000079027864 208071422 /nfs/dbraw/zinc/07/14/22/208071422.db2.gz IYRGBFPSYQZKII-OALUTQOASA-N 0 0 376.378 3.283 40 0 GGABRN Cn1ccnc1C(=O)c1ccc(NC(=O)C[C@@H]2OCCc3ccccc32)cc1 ZINC000079356415 208074361 /nfs/dbraw/zinc/07/43/61/208074361.db2.gz XMMXGOGVTYYGNH-IBGZPJMESA-N 0 0 375.428 3.294 40 0 GGABRN Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000084023160 208086584 /nfs/dbraw/zinc/08/65/84/208086584.db2.gz KFSFAJIUEPLNLX-ADLMAVQZSA-N 0 0 379.407 3.284 40 0 GGABRN Cc1cccc2nc(CNS(=O)(=O)c3cc4c(c(Cl)c3)O[C@H](C)C4)cn21 ZINC000084234376 208088390 /nfs/dbraw/zinc/08/83/90/208088390.db2.gz DFFYVSQPGKSTGF-GFCCVEGCSA-N 0 0 391.880 3.098 40 0 GGABRN O=C(/C=C/c1ccco1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000084374521 208088699 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CCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@H]1c1sccc1C ZINC000001104394 208712587 /nfs/dbraw/zinc/71/25/87/208712587.db2.gz GYFZPNLWHNQQFA-CYBMUJFWSA-N 0 0 383.425 3.421 40 0 GGABRN CC(=O)[C@@H]1[C@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000102798444 208713505 /nfs/dbraw/zinc/71/35/05/208713505.db2.gz LMVKTUZSPUUILS-CUXKYVRBSA-N 0 0 386.451 3.282 40 0 GGABRN CCC1=NN(C(=O)c2ccc(N)cc2)[C@@](O)(c2ccc(Br)cc2)C1 ZINC000000840540 208706797 /nfs/dbraw/zinc/70/67/97/208706797.db2.gz XFTSQWOYRZGEGZ-SFHVURJKSA-N 0 0 388.265 3.489 40 0 GGABRN Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)o1 ZINC000306134380 209102210 /nfs/dbraw/zinc/10/22/10/209102210.db2.gz NLLOIMIOORNCBU-MRXNPFEDSA-N 0 0 379.464 3.251 40 0 GGABRN Cc1ncsc1CN1C[C@@H]2[C@H](C1)N(Cc1cccs1)C(=O)c1cccn12 ZINC000306131892 209102129 /nfs/dbraw/zinc/10/21/29/209102129.db2.gz KSDFSFTZDSWUTF-SJORKVTESA-N 0 0 384.530 3.396 40 0 GGABRN COc1ccc(NC(=O)COc2ccc(I)cc2)cc1 ZINC000005050523 208722191 /nfs/dbraw/zinc/72/21/91/208722191.db2.gz IKPAUIDWRDXDDX-UHFFFAOYSA-N 0 0 383.185 3.317 40 0 GGABRN O=C(Cc1ccccc1)N1CC[C@@]2(CN(Cc3cccnc3)c3cccnc32)C1 ZINC000306133635 209101941 /nfs/dbraw/zinc/10/19/41/209101941.db2.gz MRWIKEZENKAGRP-DEOSSOPVSA-N 0 0 384.483 3.210 40 0 GGABRN CNc1snc(C)c1C(=O)OCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000016554161 533106870 /nfs/dbraw/zinc/10/68/70/533106870.db2.gz RHGULPHJFXOESX-UHFFFAOYSA-N 0 0 383.857 3.259 40 0 GGABRN O=C(Nc1cc(C2CC2)nn1-c1ncccn1)c1ccc(-n2cccn2)c(F)c1 ZINC000108727769 208725245 /nfs/dbraw/zinc/72/52/45/208725245.db2.gz ZXUCSJOLNWPFHG-UHFFFAOYSA-N 0 0 389.394 3.117 40 0 GGABRN Cc1ncsc1CN1CCN(C)[C@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306134589 209101891 /nfs/dbraw/zinc/10/18/91/209101891.db2.gz NSTGRKVSVIYJFS-SFHVURJKSA-N 0 0 396.564 3.188 40 0 GGABRN Cc1cccc(C(=O)N2CCO[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)n1 ZINC000306134598 209101910 /nfs/dbraw/zinc/10/19/10/209101910.db2.gz NTCIRYVKTSQZMN-OAQYLSRUSA-N 0 0 399.454 3.313 40 0 GGABRN CNc1snc(C)c1C(=O)OCC(=O)c1ccc(SC)c(NC(C)=O)c1 ZINC000016554300 533107879 /nfs/dbraw/zinc/10/78/79/533107879.db2.gz QYNAAEDDNDWBOD-UHFFFAOYSA-N 0 0 393.490 3.213 40 0 GGABRN CC(=O)N1CCC[C@@H]1c1nc(C(=O)NCc2ccc(C)cc2)c2ccccn21 ZINC000306132073 209102037 /nfs/dbraw/zinc/10/20/37/209102037.db2.gz KXHJFKISAPFBLD-LJQANCHMSA-N 0 0 376.460 3.256 40 0 GGABRN CN1CCN(C(=O)c2ccco2)C[C@H]1c1nnn2cc(-c3ccccc3)ccc12 ZINC000306133489 209101854 /nfs/dbraw/zinc/10/18/54/209101854.db2.gz MNBPCRAACSTFLI-IBGZPJMESA-N 0 0 387.443 3.118 40 0 GGABRN COc1ccc2c(c1)c1nnc(SCC(=O)Nc3ccccc3F)nc1n2C ZINC000012481698 208771407 /nfs/dbraw/zinc/77/14/07/208771407.db2.gz SVPMDMVNRUDMER-UHFFFAOYSA-N 0 0 397.435 3.395 40 0 GGABRN COc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2N2CCCC2)CC1=O ZINC000012528637 208771488 /nfs/dbraw/zinc/77/14/88/208771488.db2.gz YVLYOSXXMWVKKH-INIZCTEOSA-N 0 0 379.460 3.287 40 0 GGABRN CN1CCN(Cc2cccnc2)C[C@H]1c1nnn2cc(-c3ccccc3)ccc12 ZINC000306133654 209101573 /nfs/dbraw/zinc/10/15/73/209101573.db2.gz MSJAUKZGTUZZMJ-QFIPXVFZSA-N 0 0 384.487 3.280 40 0 GGABRN c1csc(CN2CCO[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)n1 ZINC000306133866 209101593 /nfs/dbraw/zinc/10/15/93/209101593.db2.gz MYASKMXKZLHLDT-GOSISDBHSA-N 0 0 377.473 3.426 40 0 GGABRN COc1ccc2c(c1)CCC[C@]21NC(=O)N(Cc2ccc(OC)c(F)c2)C1=O ZINC000012780239 208775010 /nfs/dbraw/zinc/77/50/10/208775010.db2.gz OWFDVUWXICRLHN-NRFANRHFSA-N 0 0 384.407 3.127 40 0 GGABRN COc1ccccc1CN(C)C(=O)CN1C(=S)N=NC1c1cccc(C)c1 ZINC000012812348 208775787 /nfs/dbraw/zinc/77/57/87/208775787.db2.gz KKUXPRBDTFPACE-UHFFFAOYSA-N 0 0 382.489 3.209 40 0 GGABRN Cc1cccc(C(=O)NCC(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000012794252 208776110 /nfs/dbraw/zinc/77/61/10/208776110.db2.gz IOFWPNYFUNSRGC-SCUMNGBJSA-N 0 0 383.488 3.442 40 0 GGABRN CNc1nnc(S[C@@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)s1 ZINC000012854813 208776285 /nfs/dbraw/zinc/77/62/85/208776285.db2.gz IZBOMYBBHALCIR-GFCCVEGCSA-N 0 0 380.470 3.033 40 0 GGABRN CC(C)NS(=O)(=O)c1ccc(NC(=O)CSCCc2ccccc2)cc1 ZINC000012804924 208776692 /nfs/dbraw/zinc/77/66/92/208776692.db2.gz XPAQTZKVZFYDRV-UHFFFAOYSA-N 0 0 392.546 3.288 40 0 GGABRN CC(C)(C)NC(=O)COC(=O)CCc1nnc(-c2cccc(C(F)(F)F)c2)o1 ZINC000012865371 208776777 /nfs/dbraw/zinc/77/67/77/208776777.db2.gz BDHQUAYLOCUDBI-UHFFFAOYSA-N 0 0 399.369 3.146 40 0 GGABRN O=C(NCCCC1CCCC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012870340 208776797 /nfs/dbraw/zinc/77/67/97/208776797.db2.gz YXCQSUHDVUTUDU-UHFFFAOYSA-N 0 0 396.528 3.313 40 0 GGABRN Cc1ccccc1CCNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000012868328 208776913 /nfs/dbraw/zinc/77/69/13/208776913.db2.gz ZANCYSJPHGQLSL-UHFFFAOYSA-N 0 0 396.512 3.176 40 0 GGABRN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)COc1ccc3nc4n(c(=O)c3c1)CCC4)C2 ZINC000012902532 208777520 /nfs/dbraw/zinc/77/75/20/208777520.db2.gz FOUFSMIENYXCSL-WNSKOXEYSA-N 0 0 395.503 3.149 40 0 GGABRN COc1ccc([C@@H](NC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)C(C)C)cc1 ZINC000012920298 208777835 /nfs/dbraw/zinc/77/78/35/208777835.db2.gz XLIXSTDIVPIZLK-NRFANRHFSA-N 0 0 391.471 3.478 40 0 GGABRN CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000012975854 208778911 /nfs/dbraw/zinc/77/89/11/208778911.db2.gz CWLKRLQQZWJGQU-UHFFFAOYSA-N 0 0 397.862 3.147 40 0 GGABRN CCOc1ncc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1Cl ZINC000112227084 208767788 /nfs/dbraw/zinc/76/77/88/208767788.db2.gz UFJMRWNZPIORTC-UHFFFAOYSA-N 0 0 386.839 3.184 40 0 GGABRN CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000175418563 208768998 /nfs/dbraw/zinc/76/89/98/208768998.db2.gz RHJABQDDUZMPPL-BEFAXECRSA-N 0 0 375.490 3.433 40 0 GGABRN CC(=O)c1ccc(OCC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000012979138 208779868 /nfs/dbraw/zinc/77/98/68/208779868.db2.gz YEESJCOFAXAQLR-HNNXBMFYSA-N 0 0 378.432 3.068 40 0 GGABRN CSCC[C@@H](C(=O)OCCc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000014464919 208789112 /nfs/dbraw/zinc/78/91/12/208789112.db2.gz ANKVTRBKZFLRSW-SFHVURJKSA-N 0 0 383.469 3.190 40 0 GGABRN Cc1csc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)n1 ZINC000015007762 208790761 /nfs/dbraw/zinc/79/07/61/208790761.db2.gz PGEHJYQKWYPJTJ-UHFFFAOYSA-N 0 0 383.470 3.018 40 0 GGABRN CS(=O)(=O)c1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 ZINC000014775178 208790989 /nfs/dbraw/zinc/79/09/89/208790989.db2.gz XWZWMSRXOUHZEA-UHFFFAOYSA-N 0 0 388.420 3.456 40 0 GGABRN COc1ccc(CNC(=O)CSc2nnc3c4cc(C)ccc4[nH]c3n2)cc1 ZINC000015935918 208794386 /nfs/dbraw/zinc/79/43/86/208794386.db2.gz ZKWLVNNBWDIWGN-UHFFFAOYSA-N 0 0 393.472 3.232 40 0 GGABRN CN(CCOc1ccccc1)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000015518961 208794777 /nfs/dbraw/zinc/79/47/77/208794777.db2.gz DIEJNPHEIXXFSF-UHFFFAOYSA-N 0 0 384.451 3.215 40 0 GGABRN O=C(CN(C(=O)c1csnn1)c1ccc(F)c(Cl)c1)NC1CCCCC1 ZINC000015935351 208795746 /nfs/dbraw/zinc/79/57/46/208795746.db2.gz AIUHPDHBUGQMJB-UHFFFAOYSA-N 0 0 396.875 3.426 40 0 GGABRN COc1ccc(CC(=O)Nc2cc3c(cc2Br)OCCO3)cc1 ZINC000016008994 208796689 /nfs/dbraw/zinc/79/66/89/208796689.db2.gz CPICNBDXKIEXDR-UHFFFAOYSA-N 0 0 378.222 3.410 40 0 GGABRN CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1C ZINC000012974594 208780157 /nfs/dbraw/zinc/78/01/57/208780157.db2.gz RTKWHSVLORIDBJ-XSXQVXRUSA-N 0 0 386.492 3.464 40 0 GGABRN O=C(c1ccccn1)N1CCO[C@@H](c2nnn3cc(-c4ccccc4)ccc23)C1 ZINC000306133323 209101331 /nfs/dbraw/zinc/10/13/31/209101331.db2.gz MIJIPDPRWZNDJU-HXUWFJFHSA-N 0 0 385.427 3.005 40 0 GGABRN CCn1cc(NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)cn1 ZINC000117618947 208798059 /nfs/dbraw/zinc/79/80/59/208798059.db2.gz MCZCFRVIYQRDGB-UHFFFAOYSA-N 0 0 378.205 3.243 40 0 GGABRN Cc1nc(C(=O)N2CC[C@]3(CN(Cc4cccnc4)c4cccnc43)C2)cs1 ZINC000306133974 209100922 /nfs/dbraw/zinc/10/09/22/209100922.db2.gz NAMJPYKIUPDDMS-OAQYLSRUSA-N 0 0 391.500 3.046 40 0 GGABRN COc1cc(C(=O)NCCCOC(C)C)ccc1OCc1c(C)noc1C ZINC000017408257 208801332 /nfs/dbraw/zinc/80/13/32/208801332.db2.gz DBQWVJVRGXRSOS-UHFFFAOYSA-N 0 0 376.453 3.424 40 0 GGABRN C[C@@]12CCC[C@H]1[C@H]1[C@H]([C@H](O)C2)[C@@]2(C)CCC3(C[C@@H]2CC12OCCO2)OCCO3 ZINC000119166332 208802358 /nfs/dbraw/zinc/80/23/58/208802358.db2.gz MIQDVWPHXYCSDP-LZZNHIFKSA-N 0 0 392.536 3.486 40 0 GGABRN Cc1cccc(C)c1NC(=O)CNC(=O)CCc1nc(-c2ccc(F)cc2)no1 ZINC000018183474 208802789 /nfs/dbraw/zinc/80/27/89/208802789.db2.gz SUXIQBBZKYQQCY-UHFFFAOYSA-N 0 0 396.422 3.180 40 0 GGABRN CCOC(=O)c1ccc(OCC(=O)N[C@H](C)c2cc(OC)ccc2OC)cc1 ZINC000018540811 208804305 /nfs/dbraw/zinc/80/43/05/208804305.db2.gz GREVTIQPCADXQZ-CQSZACIVSA-N 0 0 387.432 3.137 40 0 GGABRN Cc1ccc(-n2c(SCCN3CCOCC3)nnc2-c2cccnc2)cc1 ZINC000019904983 208806005 /nfs/dbraw/zinc/80/60/05/208806005.db2.gz FUIYKGOMKFICSN-UHFFFAOYSA-N 0 0 381.505 3.062 40 0 GGABRN Cc1nc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4ccc(F)cc4)C[C@@H]32)cs1 ZINC000306129114 209100075 /nfs/dbraw/zinc/10/00/75/209100075.db2.gz HUZGDQUACBVWCT-UXHICEINSA-N 0 0 396.491 3.474 40 0 GGABRN CC(C)C(=O)Nc1ccc(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 ZINC000021398955 208821652 /nfs/dbraw/zinc/82/16/52/208821652.db2.gz RDOSESZAQARNRF-UHFFFAOYSA-N 0 0 383.839 3.471 40 0 GGABRN CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000216358606 208822894 /nfs/dbraw/zinc/82/28/94/208822894.db2.gz SBMOFKASIHUOIU-HZPDHXFCSA-N 0 0 390.505 3.117 40 0 GGABRN CN(c1cccc(NC(=O)CSCc2ccc(F)cc2)c1)S(C)(=O)=O ZINC000216466897 208823030 /nfs/dbraw/zinc/82/30/30/208823030.db2.gz HZWAVWKUMYFWKY-UHFFFAOYSA-N 0 0 382.482 3.093 40 0 GGABRN O=C(Nc1c(F)cccc1F)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000216422137 208823640 /nfs/dbraw/zinc/82/36/40/208823640.db2.gz FFEVYNOEEXLAST-UHFFFAOYSA-N 0 0 380.416 3.143 40 0 GGABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1[C@@H]1CC=CCC1 ZINC000216568252 208823887 /nfs/dbraw/zinc/82/38/87/208823887.db2.gz TZENWCQQPGGTGF-AYOQOUSVSA-N 0 0 397.475 3.106 40 0 GGABRN CCCCOCCCNC(=O)CCc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000021633905 208825535 /nfs/dbraw/zinc/82/55/35/208825535.db2.gz GPEJSTSDWKULPS-UHFFFAOYSA-N 0 0 391.468 3.009 40 0 GGABRN CC(C)n1nccc1-c1nc(C(=O)NCc2ccc(F)cc2)c2cnccn21 ZINC000306130265 209100178 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529024452 /nfs/dbraw/zinc/02/44/52/529024452.db2.gz CMQCCFVEICLJTB-UHFFFAOYSA-N 0 0 388.533 3.472 40 0 GGABRN CCCCc1ccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NC)cc2)cc1 ZINC000408597605 529027362 /nfs/dbraw/zinc/02/73/62/529027362.db2.gz VKWZHHOJFSGIIC-OAHLLOKOSA-N 0 0 390.505 3.343 40 0 GGABRN CCOC(=O)Nc1cc(S(=O)(=O)NCc2ccc(Cl)cc2)ccc1OC ZINC000408585703 529105914 /nfs/dbraw/zinc/10/59/14/529105914.db2.gz IMYBZAUYJVWKHK-UHFFFAOYSA-N 0 0 398.868 3.396 40 0 GGABRN CC(C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl ZINC000408595183 529133195 /nfs/dbraw/zinc/13/31/95/529133195.db2.gz UDRGICZXNCHKAC-UHFFFAOYSA-N 0 0 382.869 3.044 40 0 GGABRN CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000408592866 529145518 /nfs/dbraw/zinc/14/55/18/529145518.db2.gz OXZLJVAJZFBQFM-CYBMUJFWSA-N 0 0 396.896 3.433 40 0 GGABRN CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 ZINC000408607005 529145626 /nfs/dbraw/zinc/14/56/26/529145626.db2.gz PPGGQVVAUDSHCV-GFCCVEGCSA-N 0 0 398.431 3.058 40 0 GGABRN CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C ZINC000408680037 529160231 /nfs/dbraw/zinc/16/02/31/529160231.db2.gz XYMZJIXNGHQJTN-AWEZNQCLSA-N 0 0 394.468 3.228 40 0 GGABRN CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000409126152 529160468 /nfs/dbraw/zinc/16/04/68/529160468.db2.gz AVOPFGJAFFFNHR-HOTGVXAUSA-N 0 0 390.505 3.020 40 0 GGABRN CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000014024276 529162124 /nfs/dbraw/zinc/16/21/24/529162124.db2.gz CFEUYPUHJZXWAM-PXNSSMCTSA-N 0 0 382.460 3.392 40 0 GGABRN CCc1cccc(CC)c1NC(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000151775853 529164651 /nfs/dbraw/zinc/16/46/51/529164651.db2.gz QGCCWGINSJVKLT-UHFFFAOYSA-N 0 0 378.469 3.355 40 0 GGABRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCCC2=CCCCC2)cc1 ZINC000409204858 529181365 /nfs/dbraw/zinc/18/13/65/529181365.db2.gz KOTJZMNCJUYILF-INIZCTEOSA-N 0 0 394.537 3.149 40 0 GGABRN CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(C(C)C)ccc2OC)CC1 ZINC000408701005 529358051 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CCc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)cc1 ZINC000007452321 536185267 /nfs/dbraw/zinc/18/52/67/536185267.db2.gz SIPHKBBWYKCQAW-SFHVURJKSA-N 0 0 395.478 3.090 40 0 GGABRN CN(Cc1ccccc1F)C(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000224510864 536482804 /nfs/dbraw/zinc/48/28/04/536482804.db2.gz LDBMWEUHYIMGQO-UHFFFAOYSA-N 0 0 376.453 3.028 40 0 GGABRN COc1ccc([C@H](C)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 ZINC000222559666 536897748 /nfs/dbraw/zinc/89/77/48/536897748.db2.gz PECKWWXLIZQVHW-HNNXBMFYSA-N 0 0 388.489 3.116 40 0 GGABRN COc1ccc([C@H]2CC(=O)N(c3cccc(C)c3)C3=C2C(=O)OC3)c(OC)c1 ZINC000004944706 536937615 /nfs/dbraw/zinc/93/76/15/536937615.db2.gz HPEOGAQKSZTOAW-QGZVFWFLSA-N 0 0 379.412 3.344 40 0 GGABRN COc1ccccc1N1CCN[C@H](Cc2ccccc2Br)C1=O ZINC000072390205 537072986 /nfs/dbraw/zinc/07/29/86/537072986.db2.gz YNPHEWZBILGPMO-OAHLLOKOSA-N 0 0 375.266 3.005 40 0 GGABRN CC(C)(C)NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000033647812 564414192 /nfs/dbraw/zinc/41/41/92/564414192.db2.gz HVOCXAQOTZNLQF-UHFFFAOYSA-N 0 0 387.716 3.328 40 0 GGABRN COc1ccc(C[N@@H+]2CC[C@@H](CC(=O)[O-])[C@@H](Cc3nc4ccncc4[nH]3)C2)cc1 ZINC000514290320 560029736 /nfs/dbraw/zinc/02/97/36/560029736.db2.gz XGCTUJOTOBVSKI-IRXDYDNUSA-N 0 0 394.475 3.122 40 0 biogenic,in-vitro GGABRN CC(C)NC(=O)N1CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]1c1cccs1 ZINC000514289857 560031122 /nfs/dbraw/zinc/03/11/22/560031122.db2.gz KFEHWOUCLWLTPP-ABSDTBQOSA-N 0 0 395.569 3.285 40 0 biogenic,in-vitro GGABRN CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(C(=O)CC(C)(C)C)C[C@H]21 ZINC000514289774 560031874 /nfs/dbraw/zinc/03/18/74/560031874.db2.gz OIZORJHOVPBJKQ-QUCCMNQESA-N 0 0 393.487 3.229 40 0 biogenic,in-vitro GGABRN O=C([O-])C[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000514288917 560033620 /nfs/dbraw/zinc/03/36/20/560033620.db2.gz LJCRJVBGLBOGBY-GJZGRUSLSA-N 0 0 382.439 3.253 40 0 biogenic,in-vitro GGABRN COc1cccc2[nH]c(C[C@H]3C[N@H+](Cc4ccccn4)CC[C@H]3CC(=O)[O-])nc21 ZINC000514288690 560034129 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560095775 /nfs/dbraw/zinc/09/57/75/560095775.db2.gz QYCAHNMNJYZOFW-CVEARBPZSA-N 0 0 399.834 3.427 40 0 biogenic,in-vitro GGABRN CCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1c(C3CCCCC3)ccc(=O)n1C2 ZINC000006137842 560205435 /nfs/dbraw/zinc/20/54/35/560205435.db2.gz BHMAAOBBHVIQNX-DOTOQJQBSA-N 0 0 378.538 3.055 40 0 biogenic,in-vitro GGABRN CN1C[C@@H](NC(=O)c2ccccn2)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000012529898 560212966 /nfs/dbraw/zinc/21/29/66/560212966.db2.gz PTPPXFQMEOUVEN-ICSRJNTNSA-N 0 0 399.454 3.460 40 0 biogenic,in-vitro GGABRN CC1=C[C@H](C[C@@]2(C)O[C@@H]2COc2c3occc3cc3ccc(=O)oc32)OC1=O ZINC000014516849 560222370 /nfs/dbraw/zinc/22/23/70/560222370.db2.gz CISFAPDYRQPRCZ-VTJXTGGHSA-N 0 0 382.368 3.337 40 0 biogenic,in-vitro GGABRN O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)N(Cc2cccnc2)C1 ZINC000015674166 560230922 /nfs/dbraw/zinc/23/09/22/560230922.db2.gz XVKUFFFRLIXUBU-CVEARBPZSA-N 0 0 390.365 3.458 40 0 biogenic,in-vitro GGABRN Cc1cc(NC(=O)CSc2nnc(CNc3ccc(Cl)cc3)o2)no1 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CCc1nnc(NC(=S)NC(=O)COc2cc(C)ccc2C(C)C)s1 ZINC000005878837 564219882 /nfs/dbraw/zinc/21/98/82/564219882.db2.gz KVESQJAIPPWONG-UHFFFAOYSA-N 0 0 378.523 3.424 40 0 GGABRN COc1ccc(Cl)cc1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000006114166 564221575 /nfs/dbraw/zinc/22/15/75/564221575.db2.gz GWZAKQVSCWAVSU-UHFFFAOYSA-N 0 0 382.869 3.160 40 0 GGABRN O=C(NC(=S)Nc1ccc(Br)cc1F)c1ccc2c(c1)OCO2 ZINC000006251624 564222220 /nfs/dbraw/zinc/22/22/20/564222220.db2.gz QIKANNXJLPTWMS-UHFFFAOYSA-N 0 0 397.225 3.444 40 0 GGABRN CCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000006274142 564222267 /nfs/dbraw/zinc/22/22/67/564222267.db2.gz JAQRHUCBNQJCEF-UHFFFAOYSA-N 0 0 380.897 3.057 40 0 GGABRN CCCC(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000006240596 564222310 /nfs/dbraw/zinc/22/23/10/564222310.db2.gz ATRMGOWXDWMWDF-UHFFFAOYSA-N 0 0 375.416 3.155 40 0 GGABRN CCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000006274145 564222580 /nfs/dbraw/zinc/22/25/80/564222580.db2.gz GWJBGIGZYAPGGT-UHFFFAOYSA-N 0 0 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ZINC000006880543 564229201 /nfs/dbraw/zinc/22/92/01/564229201.db2.gz CUHMGQWXUZHGBL-UHFFFAOYSA-N 0 0 386.886 3.071 40 0 GGABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000006880484 564229304 /nfs/dbraw/zinc/22/93/04/564229304.db2.gz SMSNETCHZOJCMP-UHFFFAOYSA-N 0 0 382.869 3.046 40 0 GGABRN CCN(CC)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CCOC ZINC000006948826 564230076 /nfs/dbraw/zinc/23/00/76/564230076.db2.gz FXBDEKBDYRRKSX-UHFFFAOYSA-N 0 0 382.917 3.205 40 0 GGABRN CCOc1cc(C(=S)N2CCCC2)cc(I)c1O ZINC000006958931 564230265 /nfs/dbraw/zinc/23/02/65/564230265.db2.gz WUCVEKRBNSNIGG-UHFFFAOYSA-N 0 0 377.247 3.167 40 0 GGABRN Cc1cc(Br)ccc1NC(=O)CN1C(=O)CC2(CCCCC2)C1=O ZINC000007046936 564231293 /nfs/dbraw/zinc/23/12/93/564231293.db2.gz ZWEOVWNUSKZFTE-UHFFFAOYSA-N 0 0 393.281 3.405 40 0 GGABRN COc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1NC(C)=O ZINC000007052619 564231588 /nfs/dbraw/zinc/23/15/88/564231588.db2.gz OUVMKKITIZVPFL-UHFFFAOYSA-N 0 0 399.266 3.217 40 0 GGABRN C[C@H](Oc1ccc(Br)cc1F)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000007200655 564233897 /nfs/dbraw/zinc/23/38/97/564233897.db2.gz KVJZVGQVGDVFPT-VIFPVBQESA-N 0 0 381.201 3.093 40 0 GGABRN CN(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000007304020 564235208 /nfs/dbraw/zinc/23/52/08/564235208.db2.gz UFJODJOOKCRDRQ-UHFFFAOYSA-N 0 0 391.251 3.392 40 0 GGABRN CC(C)C(=O)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000007387499 564236383 /nfs/dbraw/zinc/23/63/83/564236383.db2.gz SQXRARKKSJAMGO-UHFFFAOYSA-N 0 0 397.825 3.076 40 0 GGABRN CC(C)C(=O)N1CCN(c2ccc(NC(=O)C(F)(F)F)cc2Cl)CC1 ZINC000007387724 564236423 /nfs/dbraw/zinc/23/64/23/564236423.db2.gz JDHHZKCTAPOWPB-UHFFFAOYSA-N 0 0 377.794 3.145 40 0 GGABRN Cc1ccc2nc(COC(=O)/C=C/c3ccc(Br)o3)cc(=O)n2c1 ZINC000007339512 564236460 /nfs/dbraw/zinc/23/64/60/564236460.db2.gz BPKNJPXZXGAMPP-QPJJXVBHSA-N 0 0 389.205 3.115 40 0 GGABRN NS(=O)(=O)c1cc(C(=O)OCc2cc(-c3cccs3)on2)ccc1Cl ZINC000007637949 564238787 /nfs/dbraw/zinc/23/87/87/564238787.db2.gz PHIDRQACQZODLE-UHFFFAOYSA-N 0 0 398.849 3.061 40 0 GGABRN O=C1c2ccccc2S(=O)(=O)N1CCSc1ccc(Br)cc1 ZINC000007604274 564238879 /nfs/dbraw/zinc/23/88/79/564238879.db2.gz ISOPWOOXWJOJQC-UHFFFAOYSA-N 0 0 398.303 3.386 40 0 GGABRN CCCc1n[nH]c(=S)n1NCc1cc(Br)c(OC)c(OC)c1 ZINC000007601369 564239010 /nfs/dbraw/zinc/23/90/10/564239010.db2.gz HZHHOOVHUJNHIO-UHFFFAOYSA-N 0 0 387.303 3.417 40 0 GGABRN CCOCCCNC(=O)c1cc2c(nc(SC)nc2N2CCCC2)s1 ZINC000007604287 564239163 /nfs/dbraw/zinc/23/91/63/564239163.db2.gz PWBBFIKTLOUFFL-UHFFFAOYSA-N 0 0 380.539 3.170 40 0 GGABRN O=S(=O)(c1ccccc1)N1CCN(C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000007637870 564239214 /nfs/dbraw/zinc/23/92/14/564239214.db2.gz PASYCONLUZMUHP-UHFFFAOYSA-N 0 0 395.937 3.043 40 0 GGABRN O=C(COC(=O)c1ccc(F)cc1Br)c1ccc2c(c1)OCO2 ZINC000007722041 564239593 /nfs/dbraw/zinc/23/95/93/564239593.db2.gz JWZWURULVHQPNF-UHFFFAOYSA-N 0 0 381.153 3.357 40 0 GGABRN COc1ccc(Br)c(C(=O)OCC(=O)N(C)Cc2ccsc2)c1 ZINC000007695358 564240094 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564242020 /nfs/dbraw/zinc/24/20/20/564242020.db2.gz OWLYDEXXYNSTBO-JTQLQIEISA-N 0 0 388.823 3.411 40 0 GGABRN CCC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(OCC)c(Cl)c1 ZINC000007881286 564242966 /nfs/dbraw/zinc/24/29/66/564242966.db2.gz OKQQJJDSMYYCHG-CYBMUJFWSA-N 0 0 390.933 3.054 40 0 GGABRN Cc1ccccc1CNC(=O)COc1ccc(I)cc1 ZINC000007949080 564243713 /nfs/dbraw/zinc/24/37/13/564243713.db2.gz YMFQLLCRZIULRZ-UHFFFAOYSA-N 0 0 381.213 3.295 40 0 GGABRN O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000007983233 564243829 /nfs/dbraw/zinc/24/38/29/564243829.db2.gz QQMWFXKGGJFQQF-UHFFFAOYSA-N 0 0 392.786 3.433 40 0 GGABRN Cc1noc(C)c1CSCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000007989494 564244592 /nfs/dbraw/zinc/24/45/92/564244592.db2.gz CMIDJIJLNLNXTC-UHFFFAOYSA-N 0 0 388.898 3.220 40 0 GGABRN CCOc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1OCC ZINC000008049296 564244726 /nfs/dbraw/zinc/24/47/26/564244726.db2.gz LSYBSCZGILQKQU-UHFFFAOYSA-N 0 0 385.507 3.289 40 0 GGABRN Cc1ccc(SCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c(C)c1 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CSc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000008224178 564247119 /nfs/dbraw/zinc/24/71/19/564247119.db2.gz NIRHDPRVYKFHMO-LLVKDONJSA-N 0 0 384.910 3.367 40 0 GGABRN O=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000008180700 564247428 /nfs/dbraw/zinc/24/74/28/564247428.db2.gz JGBVUPPDVYFTRD-UHFFFAOYSA-N 0 0 382.869 3.038 40 0 GGABRN Cc1ccn2cc(C(=O)NCC(=O)Nc3cc(Cl)ccc3Cl)nc2c1 ZINC000008280132 564248205 /nfs/dbraw/zinc/24/82/05/564248205.db2.gz DXIZPTDKXRRGCO-UHFFFAOYSA-N 0 0 377.231 3.318 40 0 GGABRN COc1ccc(Br)c(C(=O)NC[C@H]2COc3ccccc3O2)c1 ZINC000008389012 564248917 /nfs/dbraw/zinc/24/89/17/564248917.db2.gz WZIZXCQJLJNUIB-LBPRGKRZSA-N 0 0 378.222 3.028 40 0 GGABRN COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1C ZINC000008336444 564249035 /nfs/dbraw/zinc/24/90/35/564249035.db2.gz MLBYBZLOFAHSEX-UHFFFAOYSA-N 0 0 383.853 3.309 40 0 GGABRN COc1ccc(-c2nnn(Cc3ccccc3Br)n2)cc1OC ZINC000008394729 564249131 /nfs/dbraw/zinc/24/91/31/564249131.db2.gz AEUZLRAIHDCOEZ-UHFFFAOYSA-N 0 0 375.226 3.168 40 0 GGABRN Cc1ccc(N([C@H](C)C(=O)NCCSC(C)(C)C)S(C)(=O)=O)cc1C ZINC000008550683 564249496 /nfs/dbraw/zinc/24/94/96/564249496.db2.gz HBPPIWGSUWRCRJ-OAHLLOKOSA-N 0 0 386.583 3.106 40 0 GGABRN COC(=O)C1CCN(S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CC1 ZINC000008449474 564249552 /nfs/dbraw/zinc/24/95/52/564249552.db2.gz HQEZYIKIJWQOBL-UHFFFAOYSA-N 0 0 380.293 3.184 40 0 GGABRN COc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc(Br)c1OC ZINC000008469834 564249676 /nfs/dbraw/zinc/24/96/76/564249676.db2.gz PHKHSKBEKKQDAO-UHFFFAOYSA-N 0 0 380.238 3.454 40 0 GGABRN Cc1c(Cl)cccc1NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000008558401 564250083 /nfs/dbraw/zinc/25/00/83/564250083.db2.gz SHYWLAMHDVJWGH-UHFFFAOYSA-N 0 0 388.823 3.331 40 0 GGABRN Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 ZINC000008708689 564250692 /nfs/dbraw/zinc/25/06/92/564250692.db2.gz NYAXULBABNUWRX-UHFFFAOYSA-N 0 0 378.519 3.161 40 0 GGABRN CCN(CC)c1nc(O)c(CC(=O)Nc2ccc(Br)cc2)s1 ZINC000008935668 564251769 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CS(=O)(=O)Nc1cccc(C(=O)NCCSCc2cccc(Cl)c2)c1 ZINC000010364078 564257344 /nfs/dbraw/zinc/25/73/44/564257344.db2.gz FUQZUQRHLCARGY-UHFFFAOYSA-N 0 0 398.937 3.375 40 0 GGABRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1ccccc1)S(C)(=O)=O ZINC000010329631 564257365 /nfs/dbraw/zinc/25/73/65/564257365.db2.gz QUSJKCRDKMGDLO-AWEZNQCLSA-N 0 0 380.897 3.119 40 0 GGABRN Cc1ccc(C)c(N([C@H](C)C(=O)NCCSC(C)(C)C)S(C)(=O)=O)c1 ZINC000010327818 564257412 /nfs/dbraw/zinc/25/74/12/564257412.db2.gz YVOWBASFTLVUQD-OAHLLOKOSA-N 0 0 386.583 3.106 40 0 GGABRN Cc1ccc(C(=O)NCCSCc2ccccc2)cc1NS(C)(=O)=O ZINC000010331434 564257471 /nfs/dbraw/zinc/25/74/71/564257471.db2.gz IMXNIBPBVXLLLM-UHFFFAOYSA-N 0 0 378.519 3.030 40 0 GGABRN CS(=O)(=O)Nc1cccc(C(=O)NCCSCc2ccccc2Cl)c1 ZINC000010314430 564257504 /nfs/dbraw/zinc/25/75/04/564257504.db2.gz PAIAXMDHVBNARF-UHFFFAOYSA-N 0 0 398.937 3.375 40 0 GGABRN C[C@@H]1CCCN(C(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)C1 ZINC000010541369 564257847 /nfs/dbraw/zinc/25/78/47/564257847.db2.gz 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564259395 /nfs/dbraw/zinc/25/93/95/564259395.db2.gz WBUDWYAQMGSZFF-LLVKDONJSA-N 0 0 379.309 3.018 40 0 GGABRN CC(C)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000010692196 564260066 /nfs/dbraw/zinc/26/00/66/564260066.db2.gz PEJTYBYLVUJGNZ-UHFFFAOYSA-N 0 0 393.336 3.060 40 0 GGABRN C[C@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)NCC(F)(F)F ZINC000010777763 564260311 /nfs/dbraw/zinc/26/03/11/564260311.db2.gz SSUBAYLKEOSIPT-JTQLQIEISA-N 0 0 390.456 3.352 40 0 GGABRN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000010968250 564260908 /nfs/dbraw/zinc/26/09/08/564260908.db2.gz MHLQQOAIMIARTA-CHWSQXEVSA-N 0 0 381.881 3.388 40 0 GGABRN CCS(=O)(=O)c1ccc(NCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000011038654 564261744 /nfs/dbraw/zinc/26/17/44/564261744.db2.gz KSAGCVOACUKALY-UHFFFAOYSA-N 0 0 382.869 3.193 40 0 GGABRN Cc1cc(NC(=O)C2=C(C)N(C)C(=S)N[C@H]2c2ccccc2Cl)no1 ZINC000011204270 564262063 /nfs/dbraw/zinc/26/20/63/564262063.db2.gz YXOMSHQZVTVGJF-HNNXBMFYSA-N 0 0 376.869 3.410 40 0 GGABRN 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C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)NC[C@@H]1CCCO1 ZINC000032945507 564407308 /nfs/dbraw/zinc/40/73/08/564407308.db2.gz DIQCXCJEIHADEI-AAEUAGOBSA-N 0 0 381.548 3.439 40 0 GGABRN Cc1nc(-c2ccc(CCNC(=O)[C@H](C)NC(=O)C(C)(C)C)s2)cs1 ZINC000032906410 564407516 /nfs/dbraw/zinc/40/75/16/564407516.db2.gz IGYVOKLTPSRHRE-NSHDSACASA-N 0 0 379.551 3.390 40 0 GGABRN O[C@H](Cn1nnc(-c2ccc(Br)cc2)n1)c1ccc(Cl)cc1 ZINC000032906925 564407583 /nfs/dbraw/zinc/40/75/83/564407583.db2.gz GOPPYPXVFUMMSF-CQSZACIVSA-N 0 0 379.645 3.490 40 0 GGABRN COc1cccc(CN(C)C(=O)c2cc(Br)ccc2O)c1OC ZINC000032964150 564408381 /nfs/dbraw/zinc/40/83/81/564408381.db2.gz OUGUWVQDQRXAEG-UHFFFAOYSA-N 0 0 380.238 3.444 40 0 GGABRN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cc(Cl)ccc1N1CCCC1)CS2 ZINC000032970848 564408539 /nfs/dbraw/zinc/40/85/39/564408539.db2.gz YATSGFGXJSTBFG-YJBOKZPZSA-N 0 0 379.913 3.333 40 0 GGABRN CCOc1cc(CO)cc(Br)c1OCC(=O)Nc1ccccc1F ZINC000033728860 564414075 /nfs/dbraw/zinc/41/40/75/564414075.db2.gz NMKJQECATBAXOI-UHFFFAOYSA-N 0 0 398.228 3.497 40 0 GGABRN Cc1ccccc1N(CC(=O)NC(C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000033782775 564414214 /nfs/dbraw/zinc/41/42/14/564414214.db2.gz VGYIKDWRMNWLSB-UHFFFAOYSA-N 0 0 380.897 3.368 40 0 GGABRN O=C(CCN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1ccc(Cl)cc1Cl ZINC000035982570 564416668 /nfs/dbraw/zinc/41/66/68/564416668.db2.gz FZERXGWIYUMLGN-DICSFEIXSA-N 0 0 379.243 3.129 40 0 GGABRN C[C@@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1cccc(Br)c1 ZINC000036394352 564417045 /nfs/dbraw/zinc/41/70/45/564417045.db2.gz ONNTVJGPOGRZIN-KOLCDFICSA-N 0 0 393.203 3.037 40 0 GGABRN O=C(CN1CCCCC1)Nc1ncc(Br)cc1Br ZINC000036646472 564418496 /nfs/dbraw/zinc/41/84/96/564418496.db2.gz QAPPMDJUKXUUAU-UHFFFAOYSA-N 0 0 377.080 3.031 40 0 GGABRN Cc1nc(CSc2nc(=O)n(C[C@@H]3CCCO3)c3c2CCCC3)cs1 ZINC000036685784 564418760 /nfs/dbraw/zinc/41/87/60/564418760.db2.gz WWDZNGKVOWILMJ-AWEZNQCLSA-N 0 0 377.535 3.358 40 0 GGABRN O=C(c1ccccc1Br)N1c2ccccc2C(=O)N2CCC[C@@H]2C1=O ZINC000040386125 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Cc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1 ZINC000044791197 564473441 /nfs/dbraw/zinc/47/34/41/564473441.db2.gz RXWUKNRRXQBQOA-UHFFFAOYSA-N 0 0 380.897 3.039 40 0 GGABRN C[C@H](CCc1ccccc1)NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000044841113 564473810 /nfs/dbraw/zinc/47/38/10/564473810.db2.gz MNRBJKZRBIEAPB-CYBMUJFWSA-N 0 0 380.897 3.463 40 0 GGABRN CCOc1ccccc1CNS(=O)(=O)c1ccc(Br)s1 ZINC000044885687 564475251 /nfs/dbraw/zinc/47/52/51/564475251.db2.gz AMXKUAXFWWMHTE-UHFFFAOYSA-N 0 0 376.297 3.388 40 0 GGABRN CCCCn1nc(C(=O)N(C)Cc2ccc(Br)s2)ccc1=O ZINC000045603887 564485795 /nfs/dbraw/zinc/48/57/95/564485795.db2.gz KTUCOWCSDBDCAR-UHFFFAOYSA-N 0 0 384.299 3.140 40 0 GGABRN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3CC)cc1 ZINC000046017465 564493130 /nfs/dbraw/zinc/49/31/30/564493130.db2.gz TTWBEQOLLIUSQB-UHFFFAOYSA-N 0 0 378.475 3.282 40 0 GGABRN CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000047080984 564512664 /nfs/dbraw/zinc/51/26/64/564512664.db2.gz HLTOZMZDVJFWRP-LBPRGKRZSA-N 0 0 393.336 3.310 40 0 GGABRN Cc1ccc(NC(=O)CCNC(=O)c2cc(F)ccc2Br)nc1 ZINC000048225926 564534498 /nfs/dbraw/zinc/53/44/98/564534498.db2.gz KVHUBJNMQYIXIH-UHFFFAOYSA-N 0 0 380.217 3.050 40 0 GGABRN O=C(CCSc1nnc(NC[C@H]2CCCO2)s1)Nc1ccccc1F ZINC000048312532 564536608 /nfs/dbraw/zinc/53/66/08/564536608.db2.gz JTOPXVMAZIWQRQ-LLVKDONJSA-N 0 0 382.486 3.389 40 0 GGABRN Cc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000048353818 564537652 /nfs/dbraw/zinc/53/76/52/564537652.db2.gz CGLABGPYFUSZRF-UHFFFAOYSA-N 0 0 380.853 3.401 40 0 GGABRN O=C(CN(C[C@H]1CCCO1)C[C@@H]1CCCO1)Nc1ccccc1Br ZINC000048375391 564538216 /nfs/dbraw/zinc/53/82/16/564538216.db2.gz WYGJIACOSWHHLB-GASCZTMLSA-N 0 0 397.313 3.048 40 0 GGABRN O=C(CSc1nccnc1N1CCSCC1)Nc1ccc(F)cc1F ZINC000048987217 564547384 /nfs/dbraw/zinc/54/73/84/564547384.db2.gz SHLWNVJABCSVSY-UHFFFAOYSA-N 0 0 382.461 3.039 40 0 GGABRN Cc1ccccc1OCCNC(=O)c1ccccc1I ZINC000049306226 564550654 /nfs/dbraw/zinc/55/06/54/564550654.db2.gz REOBEOWORAOMRA-UHFFFAOYSA-N 0 0 381.213 3.408 40 0 GGABRN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cn2ccccc2n1 ZINC000049958155 564554994 /nfs/dbraw/zinc/55/49/94/564554994.db2.gz DBZRHEOBADRVRI-UHFFFAOYSA-N 0 0 377.231 3.352 40 0 GGABRN Cc1cc(NS(=O)(=O)/C=C/c2ccccc2Cl)n(-c2ncccn2)n1 ZINC000128554004 564622074 /nfs/dbraw/zinc/62/20/74/564622074.db2.gz ICGVHIYGIMQFMO-JXMROGBWSA-N 0 0 375.841 3.037 40 0 GGABRN CC(=O)NCCc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000055549109 564623566 /nfs/dbraw/zinc/62/35/66/564623566.db2.gz APCFITXHVCZJRQ-UHFFFAOYSA-N 0 0 387.288 3.473 40 0 GGABRN NC(=O)c1c(NC(=O)CNCc2ccccc2Cl)sc2c1CCCC2 ZINC000057380624 564666886 /nfs/dbraw/zinc/66/68/86/564666886.db2.gz MSWPFFHXGNQHBH-UHFFFAOYSA-N 0 0 377.897 3.108 40 0 GGABRN CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCSc3ccccc32)cc1 ZINC000057394732 564666984 /nfs/dbraw/zinc/66/69/84/564666984.db2.gz ROPDJQIZMQZDNG-UHFFFAOYSA-N 0 0 376.503 3.126 40 0 GGABRN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000057383541 564667005 /nfs/dbraw/zinc/66/70/05/564667005.db2.gz RXAHZJWWPDOCBJ-KRWDZBQOSA-N 0 0 378.881 3.056 40 0 GGABRN CS(=O)(=O)c1ccc(OCc2cc3c(cc2Br)OCCO3)cc1 ZINC000057652214 564671036 /nfs/dbraw/zinc/67/10/36/564671036.db2.gz OKQDNVDNQBMZEF-UHFFFAOYSA-N 0 0 399.262 3.203 40 0 GGABRN CCOC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000057993257 564678504 /nfs/dbraw/zinc/67/85/04/564678504.db2.gz LIFYDUISVDJIFB-UHFFFAOYSA-N 0 0 381.881 3.402 40 0 GGABRN Cc1cccc(OC[C@H](O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 ZINC000058614944 564686949 /nfs/dbraw/zinc/68/69/49/564686949.db2.gz SKZUPOLDXQQNGN-CYBMUJFWSA-N 0 0 379.243 3.452 40 0 GGABRN NC(=O)c1ccccc1NC(=O)CSCc1ccc(Br)cc1 ZINC000058824270 564689681 /nfs/dbraw/zinc/68/96/81/564689681.db2.gz JVHFPQVQKWRAER-UHFFFAOYSA-N 0 0 379.279 3.420 40 0 GGABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3nccs3)o2)c1C ZINC000059176204 564692433 /nfs/dbraw/zinc/69/24/33/564692433.db2.gz GELKHKBUHQIXLQ-UHFFFAOYSA-N 0 0 376.463 3.453 40 0 GGABRN O=C(NC(=S)Nc1ccccc1I)c1cccs1 ZINC000059958563 564694524 /nfs/dbraw/zinc/69/45/24/564694524.db2.gz JWLSUHNUDCADKU-UHFFFAOYSA-N 0 0 388.255 3.480 40 0 GGABRN COC(=O)Cc1csc(NC(=O)/C=C/c2cccc(Br)c2)n1 ZINC000060525078 564700245 /nfs/dbraw/zinc/70/02/45/564700245.db2.gz JKOHYQNJJKKNOO-AATRIKPKSA-N 0 0 381.251 3.273 40 0 GGABRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)cc1 ZINC000064947102 564737864 /nfs/dbraw/zinc/73/78/64/564737864.db2.gz GSYIFGRRLJOAAP-UHFFFAOYSA-N 0 0 378.475 3.282 40 0 GGABRN C[C@H](Oc1ccc(Br)cc1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000068726591 564825405 /nfs/dbraw/zinc/82/54/05/564825405.db2.gz JQICOMWDTCNDSU-SWLSCSKDSA-N 0 0 392.249 3.173 40 0 GGABRN O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(Br)o1 ZINC000070636413 564849293 /nfs/dbraw/zinc/84/92/93/564849293.db2.gz ZFUHMQCNKSPNTO-CYBMUJFWSA-N 0 0 378.144 3.222 40 0 GGABRN O=C([C@@H]1COCCO1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000072052642 564860181 /nfs/dbraw/zinc/86/01/81/564860181.db2.gz RNGVKFIBLNUOMY-KRWDZBQOSA-N 0 0 381.259 3.333 40 0 GGABRN COc1ccc(CN2C(=O)[C@@H](N)[C@@H]2c2ccc(Cl)cc2Cl)cc1OC ZINC000072227105 564861651 /nfs/dbraw/zinc/86/16/51/564861651.db2.gz QGAUYIOHFBRJHW-IRXDYDNUSA-N 0 0 381.259 3.421 40 0 GGABRN Cc1nnc(C2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)s1 ZINC000077100655 564863249 /nfs/dbraw/zinc/86/32/49/564863249.db2.gz XYCISGSLAIHRTP-UHFFFAOYSA-N 0 0 395.326 3.427 40 0 GGABRN O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(Cl)s1)CC2)[C@H]1CCCO1 ZINC000077192048 564863257 /nfs/dbraw/zinc/86/32/57/564863257.db2.gz SJGRNSGKWHASDQ-SNVBAGLBSA-N 0 0 397.909 3.174 40 0 GGABRN O=Cc1s/c(=N/S(=O)(=O)c2ccccc2)n(-c2ccccc2)c1Cl ZINC000083298912 564868007 /nfs/dbraw/zinc/86/80/07/564868007.db2.gz WIDAJELADYEYIT-FBMGVBCBSA-N 0 0 378.862 3.294 40 0 GGABRN O=C(Nc1cccc(Cl)c1Cl)[C@@H]1COCC(=O)N1Cc1cccs1 ZINC000090608491 564870596 /nfs/dbraw/zinc/87/05/96/564870596.db2.gz WYARIRLYMNMTJJ-ZDUSSCGKSA-N 0 0 385.272 3.421 40 0 GGABRN CCCNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000141253442 564873552 /nfs/dbraw/zinc/87/35/52/564873552.db2.gz QGSIPAVQDUVLSE-UHFFFAOYSA-N 0 0 380.897 3.446 40 0 GGABRN CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 ZINC000144961392 564878301 /nfs/dbraw/zinc/87/83/01/564878301.db2.gz NTLLDEMEAOHMHR-UHFFFAOYSA-N 0 0 378.519 3.230 40 0 GGABRN Cc1cnc2cc(I)n(S(=O)(=O)c3ccccc3)c2c1 ZINC000095920087 564899828 /nfs/dbraw/zinc/89/98/28/564899828.db2.gz HWFITPNRYDDCIZ-UHFFFAOYSA-N 0 0 398.225 3.186 40 0 GGABRN Cc1cc2c(cc(I)n2S(=O)(=O)c2ccccc2)cn1 ZINC000095920097 564900434 /nfs/dbraw/zinc/90/04/34/564900434.db2.gz IWWFUNQYEKNAGV-UHFFFAOYSA-N 0 0 398.225 3.186 40 0 GGABRN CC[C@@](Br)([C@H](O)c1ccc(Br)cc1)S(C)(=O)=O ZINC000096521462 564902134 /nfs/dbraw/zinc/90/21/34/564902134.db2.gz GNZIAVNXESIORQ-MNOVXSKESA-N 0 0 386.105 3.028 40 0 GGABRN CS(=O)(=O)C(Br)(Br)C(=O)c1ccc(Cl)cc1 ZINC000096518466 564902096 /nfs/dbraw/zinc/90/20/96/564902096.db2.gz FIMNCTRUSVEGRJ-UHFFFAOYSA-N 0 0 390.480 3.011 40 0 GGABRN CS(=O)(=O)[C@@](Cl)(Br)[C@H](O)c1ccc(Cl)cc1Cl ZINC000096519774 564902118 /nfs/dbraw/zinc/90/21/18/564902118.db2.gz SNUFGQWEOPSTCW-RKDXNWHRSA-N 0 0 382.490 3.359 40 0 GGABRN CC[C@@](Br)(C(=O)c1ccc(Br)cc1)S(C)(=O)=O ZINC000096518662 564902157 /nfs/dbraw/zinc/90/21/57/564902157.db2.gz LANRVZDLPZYRQL-NSHDSACASA-N 0 0 384.089 3.178 40 0 GGABRN CC[C@@](Br)([C@@H](O)c1ccc(Br)cc1)S(C)(=O)=O ZINC000096521465 564902190 /nfs/dbraw/zinc/90/21/90/564902190.db2.gz GNZIAVNXESIORQ-QWRGUYRKSA-N 0 0 386.105 3.028 40 0 GGABRN CCS(=O)(=O)[C@@](C)(Br)[C@H](O)c1ccc(Br)cc1 ZINC000096521337 564902214 /nfs/dbraw/zinc/90/22/14/564902214.db2.gz CVSYNDVACHBJIF-GHMZBOCLSA-N 0 0 386.105 3.028 40 0 GGABRN COc1ccc(N(C)S(=O)(=O)c2ccc(Br)cc2)c(OC)c1 ZINC000151268739 564912662 /nfs/dbraw/zinc/91/26/62/564912662.db2.gz XAHKAJSHSFWRRC-UHFFFAOYSA-N 0 0 386.267 3.291 40 0 GGABRN CCOC(=O)[C@H]1C(=O)OC(C)(C)[C@H]1[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000101584155 564918682 /nfs/dbraw/zinc/91/86/82/564918682.db2.gz YQLFBVSFZZFICV-BPNCWPANSA-N 0 0 397.265 3.399 40 0 GGABRN Nc1c(Cl)cc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1Cl ZINC000102910378 564938977 /nfs/dbraw/zinc/93/89/77/564938977.db2.gz RGROBJDHKYAALI-QWRGUYRKSA-N 0 0 384.263 3.079 40 0 GGABRN COc1c(Br)cc(Br)cc1C(=S)N1CCOCC1 ZINC000107786470 565002255 /nfs/dbraw/zinc/00/22/55/565002255.db2.gz YTRVTLCSAOHQGS-UHFFFAOYSA-N 0 0 395.116 3.228 40 0 GGABRN COc1cc(C(=O)Nc2ccc(O)cc2)cc(I)c1OC ZINC000107829190 565003168 /nfs/dbraw/zinc/00/31/68/565003168.db2.gz NNFJQVXBRSKRMN-UHFFFAOYSA-N 0 0 399.184 3.266 40 0 GGABRN CCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000113893987 565071257 /nfs/dbraw/zinc/07/12/57/565071257.db2.gz PQDYOEMEUCSITM-UHFFFAOYSA-N 0 0 383.853 3.107 40 0 GGABRN COC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Br)cc1 ZINC000113872210 565071300 /nfs/dbraw/zinc/07/13/00/565071300.db2.gz FTGPIHYCIVATPQ-UHFFFAOYSA-N 0 0 398.278 3.126 40 0 GGABRN CCOC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000113879117 565071302 /nfs/dbraw/zinc/07/13/02/565071302.db2.gz JWBDGXORAYIJHL-UHFFFAOYSA-N 0 0 383.853 3.107 40 0 GGABRN CSc1ccccc1NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O ZINC000113958257 565071647 /nfs/dbraw/zinc/07/16/47/565071647.db2.gz VCOYPNSNGSMBSN-LBPRGKRZSA-N 0 0 382.482 3.341 40 0 GGABRN CSc1ccccc1NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O ZINC000113968533 565071664 /nfs/dbraw/zinc/07/16/64/565071664.db2.gz FQHPIOWZRPSFEI-LBPRGKRZSA-N 0 0 382.482 3.341 40 0 GGABRN Cc1c(Cl)cccc1N(CCCC(=O)Nc1cccnc1)S(C)(=O)=O ZINC000113965833 565071801 /nfs/dbraw/zinc/07/18/01/565071801.db2.gz GWGSIRWHSAEVBK-UHFFFAOYSA-N 0 0 381.885 3.228 40 0 GGABRN CCCCCC(=O)NC(=S)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 ZINC000408627643 565614786 /nfs/dbraw/zinc/61/47/86/565614786.db2.gz MYDZXQYSUMMEJZ-UHFFFAOYSA-N 0 0 382.961 3.485 40 0 GGABRN O=C(N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)C(Cl)(Cl)Cl ZINC000408626805 565614948 /nfs/dbraw/zinc/61/49/48/565614948.db2.gz ILQWSLSDFIBIHR-UHFFFAOYSA-N 0 0 397.558 3.401 40 0 GGABRN COc1ccccc1N1CCN(CC(=O)c2ccc(Br)cc2)CC1 ZINC000324210697 565616845 /nfs/dbraw/zinc/61/68/45/565616845.db2.gz NZONJTUJAVYMKY-UHFFFAOYSA-N 0 0 389.293 3.463 40 0 GGABRN COc1ccc(NC(=O)COc2c(Br)cc(C=O)cc2OC)cc1 ZINC000325110758 565619899 /nfs/dbraw/zinc/61/98/99/565619899.db2.gz DYWKZWQEMRTCRK-UHFFFAOYSA-N 0 0 394.221 3.296 40 0 GGABRN CSc1ccc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)cc1 ZINC000194930202 565848519 /nfs/dbraw/zinc/84/85/19/565848519.db2.gz DIENEMHBWXSURT-UHFFFAOYSA-N 0 0 377.531 3.435 40 0 GGABRN O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cncc(Br)c1 ZINC000206712823 565894916 /nfs/dbraw/zinc/89/49/16/565894916.db2.gz BRGUSBPCFNWJRR-CYBMUJFWSA-N 0 0 389.171 3.326 40 0 GGABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3nccs3)o2)cc1C ZINC000216031191 565896000 /nfs/dbraw/zinc/89/60/00/565896000.db2.gz BGDHGYKWGJIQRG-UHFFFAOYSA-N 0 0 376.463 3.453 40 0 GGABRN CCOC[C@]1(N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218610225 565899482 /nfs/dbraw/zinc/89/94/82/565899482.db2.gz BSTHMDPOSYEXJF-QYZOEREBSA-N 0 0 379.909 3.322 40 0 GGABRN CCOC[C@@]1(N)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218557192 565899526 /nfs/dbraw/zinc/89/95/26/565899526.db2.gz GGYIXJADWVAUAQ-GBESFXJTSA-N 0 0 379.909 3.322 40 0 GGABRN COC[C@]1(N)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218622442 565899672 /nfs/dbraw/zinc/89/96/72/565899672.db2.gz WGLSPHQPRTYZED-ULQDDVLXSA-N 0 0 386.300 3.277 40 0 GGABRN CCOC[C@]1(N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218554644 565899678 /nfs/dbraw/zinc/89/96/78/565899678.db2.gz BJWBHRQGHBRVSJ-QYZOEREBSA-N 0 0 379.909 3.322 40 0 GGABRN CCOC[C@]1(N)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218610385 565899692 /nfs/dbraw/zinc/89/96/92/565899692.db2.gz BSTHMDPOSYEXJF-FHWLQOOXSA-N 0 0 379.909 3.322 40 0 GGABRN COC[C@]1(N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218624264 565899748 /nfs/dbraw/zinc/89/97/48/565899748.db2.gz DBJSAMHFVZSXHL-IKGGRYGDSA-N 0 0 386.300 3.277 40 0 GGABRN CCOC[C@@]1(N)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218610307 565899776 /nfs/dbraw/zinc/89/97/76/565899776.db2.gz BSTHMDPOSYEXJF-GBESFXJTSA-N 0 0 379.909 3.322 40 0 GGABRN CCOC[C@@]1(N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218557050 565899914 /nfs/dbraw/zinc/89/99/14/565899914.db2.gz GGYIXJADWVAUAQ-CEXWTWQISA-N 0 0 379.909 3.322 40 0 GGABRN COc1ccc(OC[C@@H](C)NC(=O)COc2ccc(Br)cc2)cc1 ZINC000218816190 565900909 /nfs/dbraw/zinc/90/09/09/565900909.db2.gz MUPGTJUSSHFMDS-CYBMUJFWSA-N 0 0 394.265 3.420 40 0 GGABRN CCOC[C@]1(N)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218659038 565901037 /nfs/dbraw/zinc/90/10/37/565901037.db2.gz FGIDHNHMDHHYER-BZSNNMDCSA-N 0 0 383.872 3.153 40 0 GGABRN Cc1cccc(N([C@@H](C)C(=O)NCc2ccccc2Cl)S(C)(=O)=O)c1 ZINC000220132886 565903123 /nfs/dbraw/zinc/90/31/23/565903123.db2.gz TUHURXBNQQMMQF-AWEZNQCLSA-N 0 0 380.897 3.119 40 0 GGABRN O=C(c1ccc(Br)o1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000220743640 565903240 /nfs/dbraw/zinc/90/32/40/565903240.db2.gz MNQMUHDHKOXRMI-SNVBAGLBSA-N 0 0 380.242 3.397 40 0 GGABRN CSc1cccc(NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 ZINC000220302750 565903470 /nfs/dbraw/zinc/90/34/70/565903470.db2.gz AWBCEGCMXYIZLN-LBPRGKRZSA-N 0 0 382.482 3.341 40 0 GGABRN COc1cccc(N([C@H](C)C(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000220156783 565903588 /nfs/dbraw/zinc/90/35/88/565903588.db2.gz TXTORXACZIQGGT-GFCCVEGCSA-N 0 0 382.869 3.142 40 0 GGABRN Cc1c(C(=O)Nc2ccccc2Br)cccc1N(C)S(C)(=O)=O ZINC000222427694 565904774 /nfs/dbraw/zinc/90/47/74/565904774.db2.gz FJGKESRVFSPRLG-UHFFFAOYSA-N 0 0 397.294 3.406 40 0 GGABRN Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1N(C)S(C)(=O)=O ZINC000222447036 565904969 /nfs/dbraw/zinc/90/49/69/565904969.db2.gz HJTIZDCMJATCNP-UHFFFAOYSA-N 0 0 397.294 3.406 40 0 GGABRN CN(c1cccc(C(=O)Nc2ccc(Br)cc2)c1)S(C)(=O)=O ZINC000222405820 565905146 /nfs/dbraw/zinc/90/51/46/565905146.db2.gz RQFFPXFOHDFDDZ-UHFFFAOYSA-N 0 0 383.267 3.097 40 0 GGABRN Cc1cc(C(=O)NCCSC2CCCCC2)ccc1N(C)S(C)(=O)=O ZINC000222473502 565905155 /nfs/dbraw/zinc/90/51/55/565905155.db2.gz OOVVBXFJLZZFGX-UHFFFAOYSA-N 0 0 384.567 3.187 40 0 GGABRN C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000222582017 565905817 /nfs/dbraw/zinc/90/58/17/565905817.db2.gz IKGCVITWRXQKNA-LBPRGKRZSA-N 0 0 382.869 3.142 40 0 GGABRN CN([C@@H](C(=O)Nc1ccc(Br)cc1)c1ccccc1)S(C)(=O)=O ZINC000222663935 565905960 /nfs/dbraw/zinc/90/59/60/565905960.db2.gz UGLHAZIMJDHCOH-OAHLLOKOSA-N 0 0 397.294 3.020 40 0 GGABRN COc1ccc(S(=O)(=O)NCCSC2CCCC2)cc1Br ZINC000222632410 565906096 /nfs/dbraw/zinc/90/60/96/565906096.db2.gz POSAAAAWQPNCHV-UHFFFAOYSA-N 0 0 394.356 3.412 40 0 GGABRN C[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl)c1ccc(F)cc1 ZINC000222522148 565906357 /nfs/dbraw/zinc/90/63/57/565906357.db2.gz HTHWRLRONPITRH-NSHDSACASA-N 0 0 384.860 3.366 40 0 GGABRN CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1 ZINC000223288401 565907020 /nfs/dbraw/zinc/90/70/20/565907020.db2.gz LLMQVSCDERJQMC-JXMROGBWSA-N 0 0 395.278 3.009 40 0 GGABRN CSc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000223045801 565907041 /nfs/dbraw/zinc/90/70/41/565907041.db2.gz MSBHDZJEINVYEP-UHFFFAOYSA-N 0 0 378.519 3.230 40 0 GGABRN O=S(=O)(NCCNc1ccnc2cc(Cl)ccc21)c1ccc(F)cc1 ZINC000222989052 565907055 /nfs/dbraw/zinc/90/70/55/565907055.db2.gz YIEOUIBKPPAJFR-UHFFFAOYSA-N 0 0 379.844 3.418 40 0 GGABRN CC(=O)N(C)c1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000223269885 565907113 /nfs/dbraw/zinc/90/71/13/565907113.db2.gz XSKKOTLIORQNTB-UHFFFAOYSA-N 0 0 387.288 3.455 40 0 GGABRN CCOc1ccc(Cl)cc1S(=O)(=O)NCc1c(OC)cccc1OC ZINC000223003048 565907303 /nfs/dbraw/zinc/90/73/03/565907303.db2.gz ZTTOTNZFJISXLP-UHFFFAOYSA-N 0 0 385.869 3.234 40 0 GGABRN COc1cc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000222985056 565907314 /nfs/dbraw/zinc/90/73/14/565907314.db2.gz ZFKFLWJVRVVNJL-UHFFFAOYSA-N 0 0 385.869 3.187 40 0 GGABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 ZINC000223676849 565908264 /nfs/dbraw/zinc/90/82/64/565908264.db2.gz PEKOLHYGYYEOGM-GJZGRUSLSA-N 0 0 381.910 3.332 40 0 GGABRN CCn1c(=O)oc2cc(S(=O)(=O)N(C)Cc3ccccc3)c(Cl)cc21 ZINC000223365603 565908555 /nfs/dbraw/zinc/90/85/55/565908555.db2.gz PEIQFGVRZCHGLE-UHFFFAOYSA-N 0 0 380.853 3.089 40 0 GGABRN CSc1ccc(S(=O)(=O)NCCSc2ccccc2)cc1NC(C)=O ZINC000223418436 565908634 /nfs/dbraw/zinc/90/86/34/565908634.db2.gz JWSMKMTURKBGAB-UHFFFAOYSA-N 0 0 396.559 3.438 40 0 GGABRN CN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)Cc1ccccc1Cl ZINC000223642245 565908658 /nfs/dbraw/zinc/90/86/58/565908658.db2.gz SJJHWHMEQSGNLM-UHFFFAOYSA-N 0 0 377.853 3.352 40 0 GGABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1Cl ZINC000223557957 565908693 /nfs/dbraw/zinc/90/86/93/565908693.db2.gz WTMUFKGQYFDPHK-UHFFFAOYSA-N 0 0 387.288 3.394 40 0 GGABRN CS(=O)(=O)N(CC(=O)NCC1=CCCCC1)c1cccc(Cl)c1Cl ZINC000223711682 565908771 /nfs/dbraw/zinc/90/87/71/565908771.db2.gz ILBGWWHOOGQSTQ-UHFFFAOYSA-N 0 0 391.320 3.376 40 0 GGABRN COC(=O)CSc1nnc(NC(=O)[C@@H](C)SCc2ccccc2)s1 ZINC000224338938 565909787 /nfs/dbraw/zinc/90/97/87/565909787.db2.gz BVDNZWFCYQGALE-SNVBAGLBSA-N 0 0 383.520 3.064 40 0 GGABRN COC(=O)CSc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000224227942 565909847 /nfs/dbraw/zinc/90/98/47/565909847.db2.gz YRSWLFGDIVDAAP-UHFFFAOYSA-N 0 0 378.262 3.362 40 0 GGABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(N2CCOCC2)on1 ZINC000224080898 565909864 /nfs/dbraw/zinc/90/98/64/565909864.db2.gz UFOZSJIHGJLIOO-UHFFFAOYSA-N 0 0 375.734 3.436 40 0 GGABRN Cc1c(Cl)cccc1N(CCCC(=O)N1CCC[C@@H](C)C1)S(C)(=O)=O ZINC000224244804 565909933 /nfs/dbraw/zinc/90/99/33/565909933.db2.gz ARJNNIFNPRSXPD-CQSZACIVSA-N 0 0 386.945 3.453 40 0 GGABRN COc1cccc(OCCNC(=O)COc2ccc(Br)c(C)c2)c1 ZINC000224242153 565910067 /nfs/dbraw/zinc/91/00/67/565910067.db2.gz CCLZQHQSEMKOMB-UHFFFAOYSA-N 0 0 394.265 3.340 40 0 GGABRN C[C@@H](NC(=O)CSCc1ccccc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000223887164 565910082 /nfs/dbraw/zinc/91/00/82/565910082.db2.gz AKAMOGDGRLCHNS-CYBMUJFWSA-N 0 0 381.494 3.340 40 0 GGABRN COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000223853146 565910168 /nfs/dbraw/zinc/91/01/68/565910168.db2.gz VYDTXGWDQYXDCD-UHFFFAOYSA-N 0 0 377.853 3.013 40 0 GGABRN O=C(COc1ccc(Cl)cc1Cl)NCc1nccc(N2CCCC2)n1 ZINC000224151582 565910252 /nfs/dbraw/zinc/91/02/52/565910252.db2.gz JYFXUWGUGINANA-UHFFFAOYSA-N 0 0 381.263 3.079 40 0 GGABRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCC1=CCCCC1)S(C)(=O)=O ZINC000224043479 565910280 /nfs/dbraw/zinc/91/02/80/565910280.db2.gz ZLTRAGWPQCHFOC-AWEZNQCLSA-N 0 0 384.929 3.420 40 0 GGABRN C[C@H](NC(=O)CSCc1ccccc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000223887220 565910424 /nfs/dbraw/zinc/91/04/24/565910424.db2.gz AKAMOGDGRLCHNS-ZDUSSCGKSA-N 0 0 381.494 3.340 40 0 GGABRN Oc1cccnc1NC(=S)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000224017102 565910507 /nfs/dbraw/zinc/91/05/07/565910507.db2.gz BDZKGSCLFBKBHI-UHFFFAOYSA-N 0 0 377.897 3.475 40 0 GGABRN COc1ccc(S(=O)(=O)N(C)c2cccc(Br)c2)cc1OC ZINC000224796115 565911203 /nfs/dbraw/zinc/91/12/03/565911203.db2.gz ZVZBPQSANBDEFL-UHFFFAOYSA-N 0 0 386.267 3.291 40 0 GGABRN COc1ccccc1OC[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC ZINC000224429677 565911370 /nfs/dbraw/zinc/91/13/70/565911370.db2.gz IVDULNBALLBQMR-GFCCVEGCSA-N 0 0 385.869 3.103 40 0 GGABRN O=C(Cc1cccc(Br)c1)Nc1ccc(N2CCOCC2)cc1 ZINC000225018565 565912270 /nfs/dbraw/zinc/91/22/70/565912270.db2.gz WIJNKLHJXDZICP-UHFFFAOYSA-N 0 0 375.266 3.467 40 0 GGABRN CCN1CCN(C(=O)CCc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000224880826 565912288 /nfs/dbraw/zinc/91/22/88/565912288.db2.gz KYILXPSYRNSNBQ-UHFFFAOYSA-N 0 0 392.297 3.201 40 0 GGABRN CCc1ccccc1NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000224931526 565912472 /nfs/dbraw/zinc/91/24/72/565912472.db2.gz JXCMGZSJIAUQIM-UHFFFAOYSA-N 0 0 380.897 3.303 40 0 GGABRN CCOC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(SC)cc1 ZINC000224982141 565912626 /nfs/dbraw/zinc/91/26/26/565912626.db2.gz CENRNWOOQCMYQI-UHFFFAOYSA-N 0 0 383.466 3.306 40 0 GGABRN CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000224823584 565912776 /nfs/dbraw/zinc/91/27/76/565912776.db2.gz BGGPTJJBLFFBCH-UHFFFAOYSA-N 0 0 398.278 3.436 40 0 GGABRN O=S(=O)(Cc1c(F)cccc1Cl)Nc1ccc(N2CCOCC2)cc1 ZINC000224999187 565912803 /nfs/dbraw/zinc/91/28/03/565912803.db2.gz DCHMZWYIIAPBJF-UHFFFAOYSA-N 0 0 384.860 3.258 40 0 GGABRN Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(I)c1 ZINC000225019414 565912911 /nfs/dbraw/zinc/91/29/11/565912911.db2.gz JOZJSZXTJLHHKD-UHFFFAOYSA-N 0 0 395.196 3.258 40 0 GGABRN CSc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1NC(C)=O ZINC000225128392 565913572 /nfs/dbraw/zinc/91/35/72/565913572.db2.gz SQFFITRHHXMSNQ-UHFFFAOYSA-N 0 0 382.482 3.027 40 0 GGABRN COC(=O)CSc1nnc(NC(=O)[C@H](C)Sc2ccc(C)cc2)s1 ZINC000225284448 565913904 /nfs/dbraw/zinc/91/39/04/565913904.db2.gz LPDFAQOMTNVYOV-JTQLQIEISA-N 0 0 383.520 3.231 40 0 GGABRN CC(C)Oc1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 ZINC000225678947 565916007 /nfs/dbraw/zinc/91/60/07/565916007.db2.gz HCYMPWBGQBYDJY-UHFFFAOYSA-N 0 0 378.475 3.188 40 0 GGABRN CCN(c1ccc(C(=O)NCCSC2CCCC2)cc1)S(=O)(=O)CC ZINC000225709930 565916100 /nfs/dbraw/zinc/91/61/00/565916100.db2.gz ZOPTVLQTHZACQK-UHFFFAOYSA-N 0 0 384.567 3.268 40 0 GGABRN CC[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccccc1C ZINC000225683379 565916129 /nfs/dbraw/zinc/91/61/29/565916129.db2.gz JVLZYSUSTSOPRF-HNNXBMFYSA-N 0 0 376.503 3.338 40 0 GGABRN CO[C@H](CNS(=O)(=O)c1c(C)nn(C(C)C)c1C)c1ccc(Cl)s1 ZINC000225707221 565916258 /nfs/dbraw/zinc/91/62/58/565916258.db2.gz PLJHRIORIRCDEX-GFCCVEGCSA-N 0 0 391.946 3.462 40 0 GGABRN CCn1c2ccc(S(=O)(=O)N[C@@H](C)c3ccc(F)cc3)cc2sc1=O ZINC000225693551 565916425 /nfs/dbraw/zinc/91/64/25/565916425.db2.gz XUVHFOQGNVUBBK-NSHDSACASA-N 0 0 380.466 3.262 40 0 GGABRN CC(C)n1c2ccc(S(=O)(=O)NCCc3ccccc3)cc2sc1=O ZINC000225702029 565916491 /nfs/dbraw/zinc/91/64/91/565916491.db2.gz IZLSWNWARHOHSL-UHFFFAOYSA-N 0 0 376.503 3.165 40 0 GGABRN Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)Nc1cccc(Cl)c1Cl ZINC000225881782 565916994 /nfs/dbraw/zinc/91/69/94/565916994.db2.gz BBHLOELBLMBSFX-UHFFFAOYSA-N 0 0 394.305 3.406 40 0 GGABRN COc1cccnc1NC(=S)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000225821611 565917073 /nfs/dbraw/zinc/91/70/73/565917073.db2.gz DSRHAFMXWHFFEL-UHFFFAOYSA-N 0 0 375.841 3.280 40 0 GGABRN CC(C)(C)NC(=O)CCc1nc(-c2ccc(I)cc2)no1 ZINC000225837328 565917222 /nfs/dbraw/zinc/91/72/22/565917222.db2.gz LZQHZYZEBPDOCJ-UHFFFAOYSA-N 0 0 399.232 3.189 40 0 GGABRN Cc1ccc(CN(CC(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000225804931 565917310 /nfs/dbraw/zinc/91/73/10/565917310.db2.gz IKOBBOZMFCXSLD-UHFFFAOYSA-N 0 0 384.860 3.188 40 0 GGABRN S=C(NCc1nc(-c2cccc(Br)c2)no1)Nc1cccnc1 ZINC000225826505 565917551 /nfs/dbraw/zinc/91/75/51/565917551.db2.gz ARMSGCVYVUBXTO-UHFFFAOYSA-N 0 0 390.266 3.381 40 0 GGABRN Cc1ccc2c(c1)OC1(CCN(S(=O)(=O)c3cccs3)CC1)CC2=O ZINC000225816822 565917631 /nfs/dbraw/zinc/91/76/31/565917631.db2.gz GQOZDQYPOLYQFC-UHFFFAOYSA-N 0 0 377.487 3.245 40 0 GGABRN S=C(NCc1ccc(Cl)cc1)Nc1nc(Cl)cc(N2CCOCC2)n1 ZINC000225935996 565917649 /nfs/dbraw/zinc/91/76/49/565917649.db2.gz QSAMMWOUMDIYLM-UHFFFAOYSA-N 0 0 398.319 3.107 40 0 GGABRN CC(C)OCCCNC(=O)CCc1nc(-c2ccc(Br)cc2)no1 ZINC000225820613 565917651 /nfs/dbraw/zinc/91/76/51/565917651.db2.gz GILUCGQOZUMIER-UHFFFAOYSA-N 0 0 396.285 3.363 40 0 GGABRN O=c1sc2cc(S(=O)(=O)NC3CC3)ccc2n1Cc1ccc(Cl)cc1 ZINC000225785045 565917656 /nfs/dbraw/zinc/91/76/56/565917656.db2.gz DZRDEBIAPGVFPJ-UHFFFAOYSA-N 0 0 394.905 3.205 40 0 GGABRN CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2ccc3sncc3c2)c1 ZINC000225965510 565918040 /nfs/dbraw/zinc/91/80/40/565918040.db2.gz SKHAQDGHVTTWSB-UHFFFAOYSA-N 0 0 375.475 3.335 40 0 GGABRN CN(C(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000226036147 565918141 /nfs/dbraw/zinc/91/81/41/565918141.db2.gz DGTFLCDLEQXLRP-UHFFFAOYSA-N 0 0 387.288 3.277 40 0 GGABRN Cc1ccc(N(C)C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000226020605 565918249 /nfs/dbraw/zinc/91/82/49/565918249.db2.gz NCVXPDIEWGURPE-UHFFFAOYSA-N 0 0 380.897 3.240 40 0 GGABRN CS(=O)(=O)N[C@@H](CC(=O)NCCC1=CCCCC1)c1ccc(Cl)cc1 ZINC000225949977 565918387 /nfs/dbraw/zinc/91/83/87/565918387.db2.gz CXDOZBSLROGHKF-KRWDZBQOSA-N 0 0 384.929 3.327 40 0 GGABRN C[C@H](Oc1nn(C)c2ccc(Br)cc12)C(=O)NCc1ccco1 ZINC000226754675 565920437 /nfs/dbraw/zinc/92/04/37/565920437.db2.gz SQHHCGDDPXQVSP-JTQLQIEISA-N 0 0 378.226 3.013 40 0 GGABRN Cc1nnc(NC(=O)C(C)(C)Oc2nn(-c3ccccc3)cc2Cl)s1 ZINC000227159748 565922180 /nfs/dbraw/zinc/92/21/80/565922180.db2.gz ALULWQHKRLFNMB-UHFFFAOYSA-N 0 0 377.857 3.482 40 0 GGABRN O=C(COc1nn(-c2ccccc2)cc1Br)NCc1ccccc1 ZINC000227151457 565922269 /nfs/dbraw/zinc/92/22/69/565922269.db2.gz DFKRKXYBAPUXDX-UHFFFAOYSA-N 0 0 386.249 3.330 40 0 GGABRN C[C@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)NC1CCCC1 ZINC000227159524 565922394 /nfs/dbraw/zinc/92/23/94/565922394.db2.gz ZPTZGMMIZPTJDF-LBPRGKRZSA-N 0 0 378.270 3.461 40 0 GGABRN O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1ccccc1Br ZINC000238919465 565982620 /nfs/dbraw/zinc/98/26/20/565982620.db2.gz SVOIHNSKDVXBAV-UHFFFAOYSA-N 0 0 389.297 3.448 40 0 GGABRN O=S(=O)(c1ccc(Cl)cc1)N1CC[C@@H](N2CCc3ccccc3C2)C1 ZINC000238848239 565982960 /nfs/dbraw/zinc/98/29/60/565982960.db2.gz IVLQYEHZSUWQMJ-GOSISDBHSA-N 0 0 376.909 3.161 40 0 GGABRN Cc1cc(C)c(S(=O)(=O)NCC(=O)Nc2cc(Cl)ccc2C)c(C)c1 ZINC000242554302 565984052 /nfs/dbraw/zinc/98/40/52/565984052.db2.gz CCRICYHZGJIXNX-UHFFFAOYSA-N 0 0 380.897 3.491 40 0 GGABRN COC[C@]1(N)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242701527 565984646 /nfs/dbraw/zinc/98/46/46/565984646.db2.gz WGLSPHQPRTYZED-BBWFWOEESA-N 0 0 386.300 3.277 40 0 GGABRN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](CO)[C@H]2c2ccc(Br)cc2)cc1 ZINC000242718304 565985037 /nfs/dbraw/zinc/98/50/37/565985037.db2.gz XIRIUEDTMLMQSU-BRWVUGGUSA-N 0 0 381.291 3.306 40 0 GGABRN COc1ccccc1NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000243290764 565985066 /nfs/dbraw/zinc/98/50/66/565985066.db2.gz LDEOZOZYGTZEAS-UHFFFAOYSA-N 0 0 382.869 3.062 40 0 GGABRN CCCCNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000243478766 565986297 /nfs/dbraw/zinc/98/62/97/565986297.db2.gz NNIOVZMCKYPFPU-UHFFFAOYSA-N 0 0 386.823 3.041 40 0 GGABRN O=C(CSc1nc(C23CC4CC(CC(C4)C2)C3)n[nH]1)Nc1nccs1 ZINC000253570993 566119351 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CCOC(=O)c1c(C)[nH]c(C(=O)N2CCc3cc(OC)c(OC)cc3C2)c1C ZINC000012870183 570270195 /nfs/dbraw/zinc/27/01/95/570270195.db2.gz WOCTXWXAAYNXKY-UHFFFAOYSA-N 0 0 386.448 3.024 40 0 GGABRN CCn1c(C)cc(C(=O)OCC(=O)N(Cc2ccc(OC)cc2)C2CC2)c1C ZINC000049574880 570270559 /nfs/dbraw/zinc/27/05/59/570270559.db2.gz RBFXCSJVKJCAAB-UHFFFAOYSA-N 0 0 384.476 3.481 40 0 GGABRN COC(=O)c1ccc2c(c1)nc(CN[C@@H](C)c1ccc3c(c1)CCCC3)[nH]c2=O ZINC000049597292 570270770 /nfs/dbraw/zinc/27/07/70/570270770.db2.gz GETOPXQMZHCPNN-AWEZNQCLSA-N 0 0 391.471 3.439 40 0 GGABRN O=C(c1ccccc1)N1CCN(C(=O)c2c3c(nc4ccccc42)CCC3)CC1 ZINC000049943598 570272502 /nfs/dbraw/zinc/27/25/02/570272502.db2.gz VYOHBXINGJSXPO-UHFFFAOYSA-N 0 0 385.467 3.322 40 0 GGABRN COc1ccc(C(=O)N2CCCCCCC2)cc1S(=O)(=O)NC(C)(C)C ZINC000049950384 570272533 /nfs/dbraw/zinc/27/25/33/570272533.db2.gz CTOSWBAXMCEJSD-UHFFFAOYSA-N 0 0 382.526 3.178 40 0 GGABRN O=C(NCCCC1CCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012870350 570272776 /nfs/dbraw/zinc/27/27/76/570272776.db2.gz AKFHEGMYLOTZNY-UHFFFAOYSA-N 0 0 396.528 3.313 40 0 GGABRN Cc1nc2cc(NC(=O)[C@@H](NS(=O)(=O)c3ccccc3)C(C)C)ccc2o1 ZINC000012877741 570275397 /nfs/dbraw/zinc/27/53/97/570275397.db2.gz CIAHDDYKSZZJAM-SFHVURJKSA-N 0 0 387.461 3.078 40 0 GGABRN COc1cccc(C2(NC(=O)NC3CCN(c4ccccn4)CC3)CCC2)c1 ZINC000663681000 570275739 /nfs/dbraw/zinc/27/57/39/570275739.db2.gz KIERWTLMAOZHGM-UHFFFAOYSA-N 0 0 380.492 3.438 40 0 GGABRN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000006047119 570275925 /nfs/dbraw/zinc/27/59/25/570275925.db2.gz VBASHJYDSYKRJZ-XQQFMLRXSA-N 0 0 378.494 3.310 40 0 GGABRN COCC(=O)NC[C@H]1CC[C@H](c2nc(NC3CC3)ncc2-c2cc(C)no2)CC1 ZINC000100744280 570276272 /nfs/dbraw/zinc/27/62/72/570276272.db2.gz FRXFNVGSNPVPLT-GASCZTMLSA-N 0 0 399.495 3.051 40 0 GGABRN COc1ccc(-c2nc(SCC(=O)N3CCc4ccccc4C3)n[nH]2)cc1 ZINC000006154564 570277960 /nfs/dbraw/zinc/27/79/60/570277960.db2.gz HSYZFACEYDTNMQ-UHFFFAOYSA-N 0 0 380.473 3.157 40 0 GGABRN COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2F)c1OC ZINC000014019938 570281475 /nfs/dbraw/zinc/28/14/75/570281475.db2.gz XVECMTFDFJQKEB-KRWDZBQOSA-N 0 0 385.395 3.110 40 0 GGABRN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1cccc[n+]1[O-])CC2 ZINC000072003216 570282337 /nfs/dbraw/zinc/28/23/37/570282337.db2.gz PTYYVQZGXBXPEE-QFIPXVFZSA-N 0 0 390.439 3.125 40 0 GGABRN CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000020766664 570283274 /nfs/dbraw/zinc/28/32/74/570283274.db2.gz VCRMDYUBHMZWRN-CQSZACIVSA-N 0 0 390.480 3.496 40 0 GGABRN CC(C)(CNC(=O)c1ccccc1OCc1ccc(F)cc1)N1CCOCC1 ZINC000012883263 570284358 /nfs/dbraw/zinc/28/43/58/570284358.db2.gz AQKLUKSRTOIUMA-UHFFFAOYSA-N 0 0 386.467 3.245 40 0 GGABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)c(F)c1 ZINC000012887705 570285146 /nfs/dbraw/zinc/28/51/46/570285146.db2.gz NOYNJUSPDYVGTI-UHFFFAOYSA-N 0 0 394.443 3.069 40 0 GGABRN Cc1cc(OCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1C(C)C ZINC000012890439 570285909 /nfs/dbraw/zinc/28/59/09/570285909.db2.gz IXZUOHJZJIZCRR-HNNXBMFYSA-N 0 0 390.505 3.022 40 0 GGABRN Cc1ccc2c(c1)C(=O)N(CCCC(=O)NC13CC4CC(CC(C4)C1)C3)C2=O ZINC000012891029 570286187 /nfs/dbraw/zinc/28/61/87/570286187.db2.gz PTOLJSDQLPUAHN-UHFFFAOYSA-N 0 0 380.488 3.456 40 0 GGABRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1O ZINC000000663530 570287122 /nfs/dbraw/zinc/28/71/22/570287122.db2.gz GKEGCPXDBNWHHO-VGOFMYFVSA-N 0 0 376.771 3.286 40 0 GGABRN CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)C2CC2)sc2c1CC[C@@H](C)C2 ZINC000010730236 570288359 /nfs/dbraw/zinc/28/83/59/570288359.db2.gz PSGWIAAZUPAFQE-MNOVXSKESA-N 0 0 379.478 3.330 40 0 GGABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@@](O)(C(C)=O)[C@@]4(C)CC(=O)[C@@H]32)C1 ZINC000002557335 570290655 /nfs/dbraw/zinc/29/06/55/570290655.db2.gz RSBZZVJLNTXCGU-DQDMJRCKSA-N 0 0 390.520 3.460 40 0 GGABRN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC3CCCCC3)c2)C[C@@H](C)O1 ZINC000021365395 570291031 /nfs/dbraw/zinc/29/10/31/570291031.db2.gz UGEUTRWZYZSXEB-HZPDHXFCSA-N 0 0 395.521 3.222 40 0 GGABRN COc1cccc(OC)c1C(=O)Nc1cccc(-c2nn3cnnc3s2)c1 ZINC000021124147 570291232 /nfs/dbraw/zinc/29/12/32/570291232.db2.gz FHZNPWOHCXHBKF-UHFFFAOYSA-N 0 0 381.417 3.122 40 0 GGABRN Cc1cccc(OCC(=O)Nc2cccc(-c3nn4cnnc4s3)c2)c1C ZINC000021123797 570291305 /nfs/dbraw/zinc/29/13/05/570291305.db2.gz MXQBGJQTACRHJV-UHFFFAOYSA-N 0 0 379.445 3.487 40 0 GGABRN COc1ccc([C@H](NC(=O)N2C[C@@H](C)[C@](C)(CO)C2)c2ccccc2OC)cc1 ZINC000664513244 570292372 /nfs/dbraw/zinc/29/23/72/570292372.db2.gz RNSMQZCOKWHDQW-HNKPZJSLSA-N 0 0 398.503 3.453 40 0 GGABRN CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC1CCCCCC1 ZINC000012916770 570292733 /nfs/dbraw/zinc/29/27/33/570292733.db2.gz FWYJLAJBOOMWCU-GOSISDBHSA-N 0 0 398.594 3.234 40 0 GGABRN COc1ccc(C(=O)N[C@@H](C(=O)NCCCOC2CCCCC2)C(C)C)cc1 ZINC000024771806 570292928 /nfs/dbraw/zinc/29/29/28/570292928.db2.gz UVEORKGXDDVTCE-HXUWFJFHSA-N 0 0 390.524 3.305 40 0 GGABRN COc1ccccc1NC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C ZINC000021674974 570294261 /nfs/dbraw/zinc/29/42/61/570294261.db2.gz KGIZCCIJTYKSGF-UHFFFAOYSA-N 0 0 393.369 3.340 40 0 GGABRN O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)N1CCC(c2ccccc2)=N1 ZINC000004827418 570295266 /nfs/dbraw/zinc/29/52/66/570295266.db2.gz UZEJPSYMRGIOAM-UHFFFAOYSA-N 0 0 392.333 3.379 40 0 GGABRN O=C(NCc1nnc2n1CCCCC2)c1cc(Cc2ccccc2)ccc1O ZINC000072067427 570295463 /nfs/dbraw/zinc/29/54/63/570295463.db2.gz KJMNXIAVWMFVHL-UHFFFAOYSA-N 0 0 376.460 3.231 40 0 GGABRN CC(C)(C)c1cc(CCC(=O)N[C@H]2CCS(=O)(=O)C2)cc(C(C)(C)C)c1O ZINC000014196714 570295546 /nfs/dbraw/zinc/29/55/46/570295546.db2.gz HDEBOKJTLPTXCT-HNNXBMFYSA-N 0 0 395.565 3.223 40 0 GGABRN CCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 ZINC000021348006 570295591 /nfs/dbraw/zinc/29/55/91/570295591.db2.gz DUJYKOXGAVMPOY-INIZCTEOSA-N 0 0 379.460 3.126 40 0 GGABRN O=C(C1=C2C(O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN12)c1ccccc1 ZINC000103513056 570295599 /nfs/dbraw/zinc/29/55/99/570295599.db2.gz LNFNIZFZHGGWDR-AKHDSKFASA-N 0 0 394.858 3.175 40 0 GGABRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3)CC2=O)cc1Cl ZINC000001289729 570295730 /nfs/dbraw/zinc/29/57/30/570295730.db2.gz ZONNYVXOAMVJAI-AWEZNQCLSA-N 0 0 386.835 3.183 40 0 GGABRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3C)CC2=O)c(C)c1 ZINC000001289397 570295780 /nfs/dbraw/zinc/29/57/80/570295780.db2.gz YERAYBLWSYAFLQ-KRWDZBQOSA-N 0 0 380.444 3.147 40 0 GGABRN Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)ccc3C)CC2=O)c1 ZINC000001289944 570295799 /nfs/dbraw/zinc/29/57/99/570295799.db2.gz LDHAYDHSZGAAIE-QGZVFWFLSA-N 0 0 380.444 3.147 40 0 GGABRN O=C(C1=C2C(O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2CCCN12)c1ccccc1 ZINC000103532552 570295816 /nfs/dbraw/zinc/29/58/16/570295816.db2.gz GCROWAQCHLPUIQ-NCXUSEDFSA-N 0 0 394.858 3.175 40 0 GGABRN O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000021450075 570295913 /nfs/dbraw/zinc/29/59/13/570295913.db2.gz XAQFRWMQFBRFBZ-GOSISDBHSA-N 0 0 397.906 3.037 40 0 GGABRN CCOC(=O)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 ZINC000216186446 570296741 /nfs/dbraw/zinc/29/67/41/570296741.db2.gz CHEARRBAYJUGOL-UHFFFAOYSA-N 0 0 396.852 3.141 40 0 GGABRN C[C@H](Sc1nnc(-c2ccc(OC(F)F)cc2)o1)C(=O)NC[C@H]1CCCO1 ZINC000012926072 570296759 /nfs/dbraw/zinc/29/67/59/570296759.db2.gz MKFGYQRJPWGJOP-GXFFZTMASA-N 0 0 399.419 3.114 40 0 GGABRN O=C(COc1ccc(Cl)c2cccnc12)N1CCN(Cc2ccccn2)CC1 ZINC000043272017 570298239 /nfs/dbraw/zinc/29/82/39/570298239.db2.gz YOWOAJVJWRKILL-UHFFFAOYSA-N 0 0 396.878 3.006 40 0 GGABRN CCOC(=O)Nc1cccc(C(=O)OCC(=O)c2cc(F)ccc2OC)c1 ZINC000010800810 570298392 /nfs/dbraw/zinc/29/83/92/570298392.db2.gz KTBHFJSKBMTEBH-UHFFFAOYSA-N 0 0 375.352 3.442 40 0 GGABRN CN(C(=O)CSCc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1ccccc1 ZINC000012928602 570298418 /nfs/dbraw/zinc/29/84/18/570298418.db2.gz GKQMIMVAWCOBRR-UHFFFAOYSA-N 0 0 385.514 3.370 40 0 GGABRN C[C@@H](NC(=O)N[C@@H](C)c1ccc(F)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000043273424 570298566 /nfs/dbraw/zinc/29/85/66/570298566.db2.gz RSYWCCWYJUZASB-QWHCGFSZSA-N 0 0 379.457 3.319 40 0 GGABRN C[C@@H](C(=O)N(C)Cc1ccc(Cl)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000216321672 570299049 /nfs/dbraw/zinc/29/90/49/570299049.db2.gz JBQRYMOSUUMYJU-ZDUSSCGKSA-N 0 0 398.887 3.292 40 0 GGABRN COC(=O)c1ccc(CS(=O)(=O)NCCc2ccc(C(C)C)cc2)cc1 ZINC000216340090 570299254 /nfs/dbraw/zinc/29/92/54/570299254.db2.gz XBKNFWFZUWNDNL-UHFFFAOYSA-N 0 0 375.490 3.259 40 0 GGABRN CC[C@H](Oc1ccccc1C)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000216470685 570302141 /nfs/dbraw/zinc/30/21/41/570302141.db2.gz HIUKSSXCXJRLOI-IBGZPJMESA-N 0 0 396.487 3.226 40 0 GGABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1[C@@H]1CC=CCC1 ZINC000216568395 570302828 /nfs/dbraw/zinc/30/28/28/570302828.db2.gz TZENWCQQPGGTGF-LZQZEXGQSA-N 0 0 397.475 3.106 40 0 GGABRN CSc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000042645559 570302946 /nfs/dbraw/zinc/30/29/46/570302946.db2.gz ZHGHCVMVWDILRV-UHFFFAOYSA-N 0 0 396.578 3.212 40 0 GGABRN O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000015982716 570304474 /nfs/dbraw/zinc/30/44/74/570304474.db2.gz QERVUVYUGIUIEI-UHFFFAOYSA-N 0 0 386.407 3.355 40 0 GGABRN Cc1ccc2cccc(NC(=S)NC(=O)c3ccc4c(c3)OCCO4)c2n1 ZINC000021595759 570306999 /nfs/dbraw/zinc/30/69/99/570306999.db2.gz SVCYNJYMRHAIRO-UHFFFAOYSA-N 0 0 379.441 3.441 40 0 GGABRN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc4nsnc4c3)cc2)CC1 ZINC000021595780 570307026 /nfs/dbraw/zinc/30/70/26/570307026.db2.gz LXZVHCDTPKXSQO-UHFFFAOYSA-N 0 0 395.488 3.002 40 0 GGABRN O=S1(=O)C[C@H](O)[C@H](N(c2ccccc2)C(c2ccccc2)c2ccccc2)C1 ZINC000575419983 570307484 /nfs/dbraw/zinc/30/74/84/570307484.db2.gz CAISVHBVXCRXOM-YADHBBJMSA-N 0 0 393.508 3.441 40 0 GGABRN COc1ccc(CN2C[C@@]3(CO[C@H](C(=O)N4CCCC4)C3)c3ccccc32)cc1 ZINC000107182174 570308550 /nfs/dbraw/zinc/30/85/50/570308550.db2.gz UAEHMOLPQSTPQB-UPVQGACJSA-N 0 0 392.499 3.365 40 0 GGABRN Cc1cccc(S(=O)(=O)N2CC[C@]3(C[C@H]3C(=O)Nc3cccc(F)c3)C2)c1 ZINC000107233702 570309084 /nfs/dbraw/zinc/30/90/84/570309084.db2.gz FGXPQTSZNNBNMV-ICSRJNTNSA-N 0 0 388.464 3.174 40 0 GGABRN COC(=O)C[C@@H](NC(=O)c1ccc(F)cc1F)c1ccc(OC)c(OC)c1 ZINC000014380041 570310062 /nfs/dbraw/zinc/31/00/62/570310062.db2.gz DHVYGESUKRNBKM-OAHLLOKOSA-N 0 0 379.359 3.016 40 0 GGABRN Nn1c(CCC2CCCCC2)nnc1SCC(=O)Nc1cccc(F)c1 ZINC000032946461 570310562 /nfs/dbraw/zinc/31/05/62/570310562.db2.gz XCTVTBBRRBDCEB-UHFFFAOYSA-N 0 0 377.489 3.375 40 0 GGABRN CCC(=O)Oc1c(OC)cc(/C=C2\N=C(c3cccs3)OC2=O)cc1OC ZINC000004838172 570311933 /nfs/dbraw/zinc/31/19/33/570311933.db2.gz DXCYGNGOUDPBEV-WQLSENKSSA-N 0 0 387.413 3.425 40 0 GGABRN COc1ccc(C2N=NC(=S)N2CC(=O)N(C)[C@H](C)c2ccccc2)cc1 ZINC000012942688 570315908 /nfs/dbraw/zinc/31/59/08/570315908.db2.gz SLTHBMYWVPYLQS-CQSZACIVSA-N 0 0 382.489 3.462 40 0 GGABRN CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(Cl)ccc2-n2cncn2)c1C ZINC000012944352 570316651 /nfs/dbraw/zinc/31/66/51/570316651.db2.gz DBBTYPQQLNDFSL-UHFFFAOYSA-N 0 0 387.827 3.295 40 0 GGABRN COc1ccc(CN2C(=O)[C@@H](N)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1OC ZINC000072227101 570319083 /nfs/dbraw/zinc/31/90/83/570319083.db2.gz NFTSSTMAWUCGBG-IRXDYDNUSA-N 0 0 380.366 3.133 40 0 GGABRN Cc1cccc2c(=O)n(CC(=O)NCCc3ccc(C(F)(F)F)cc3)cnc12 ZINC000016200900 570319739 /nfs/dbraw/zinc/31/97/39/570319739.db2.gz JDNLRWCCUYVWTH-UHFFFAOYSA-N 0 0 389.377 3.083 40 0 GGABRN O=C(c1cc2c(c(Cl)c1)OCO2)N1CCN(Cc2ccccc2F)CC1 ZINC000023441839 570323979 /nfs/dbraw/zinc/32/39/79/570323979.db2.gz QGMOSOUXZCOPAK-UHFFFAOYSA-N 0 0 376.815 3.166 40 0 GGABRN Cc1nc(C2(NC(=O)CCc3nc(-c4ccc(F)cc4)no3)CCCCC2)no1 ZINC000023508359 570325324 /nfs/dbraw/zinc/32/53/24/570325324.db2.gz WKRJHZNBWRMQPT-UHFFFAOYSA-N 0 0 399.426 3.476 40 0 GGABRN Cc1nc(C2(NC(=O)CCc3nc(-c4ccsc4)no3)CCCCC2)no1 ZINC000023508370 570325362 /nfs/dbraw/zinc/32/53/62/570325362.db2.gz TWDGKLDZAUSSDN-UHFFFAOYSA-N 0 0 387.465 3.398 40 0 GGABRN CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc3[nH]cnc3c2)cc1OCC ZINC000023533087 570325778 /nfs/dbraw/zinc/32/57/78/570325778.db2.gz FQPZHMNLOGLTJO-UHFFFAOYSA-N 0 0 396.447 3.071 40 0 GGABRN 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CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(O)c(OCC)c2)C1=O ZINC000006650260 570379432 /nfs/dbraw/zinc/37/94/32/570379432.db2.gz PEADWMVVPLSEAM-XNTDXEJSSA-N 0 0 379.434 3.171 40 0 GGABRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O ZINC000006650254 570379442 /nfs/dbraw/zinc/37/94/42/570379442.db2.gz KUCRDELKSLGYJP-XNTDXEJSSA-N 0 0 379.434 3.083 40 0 GGABRN Cc1oc(C)c(C(=O)O[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000008420593 570379433 /nfs/dbraw/zinc/37/94/33/570379433.db2.gz KLSDJBSFDOXTKE-ZDUSSCGKSA-N 0 0 379.434 3.005 40 0 GGABRN Cc1ccc(N([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)S(C)(=O)=O)cc1 ZINC000408627320 570379595 /nfs/dbraw/zinc/37/95/95/570379595.db2.gz ZECGTHJOISAWDY-NEFAXPCMSA-N 0 0 390.549 3.235 40 0 GGABRN CCCCOC(=O)c1cc(NC(=O)COC(=O)c2ccccn2)ccc1Cl ZINC000006650534 570379752 /nfs/dbraw/zinc/37/97/52/570379752.db2.gz CTCZKSAVHRBZPQ-UHFFFAOYSA-N 0 0 390.823 3.487 40 0 GGABRN COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2N2CCOCC2)cc1 ZINC000408627614 570379910 /nfs/dbraw/zinc/37/99/10/570379910.db2.gz MKMIIGLFWKVXSI-DHZHZOJOSA-N 0 0 397.500 3.058 40 0 GGABRN COc1ccc(NC(=O)[C@H]2CC[C@H](Cn3nnc4ccccc4c3=O)CC2)cc1 ZINC000102674431 570380209 /nfs/dbraw/zinc/38/02/09/570380209.db2.gz VMXPVQYZMZMVJU-IYBDPMFKSA-N 0 0 392.459 3.245 40 0 GGABRN COC(=O)CN1C(=O)N/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O ZINC000006734858 570380328 /nfs/dbraw/zinc/38/03/28/570380328.db2.gz JBLSEJYSRUWEPJ-GHXNOFRVSA-N 0 0 395.198 3.319 40 0 GGABRN COc1ccc(C2(C(=O)N[C@@H](C)Cc3ccccc3)CCOCC2)cc1OC ZINC000004510709 570380456 /nfs/dbraw/zinc/38/04/56/570380456.db2.gz UEPRLZRZRSUJAH-KRWDZBQOSA-N 0 0 383.488 3.499 40 0 GGABRN COc1cccc2cc(C(=O)N3CCN(c4ccccc4Cl)CC3)c(=O)oc21 ZINC000004513495 570380754 /nfs/dbraw/zinc/38/07/54/570380754.db2.gz OEVLFKUKDWBOFK-UHFFFAOYSA-N 0 0 398.846 3.417 40 0 GGABRN CSc1cccc(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000220073776 570381373 /nfs/dbraw/zinc/38/13/73/570381373.db2.gz ROIBSICHUDNBEJ-ZDUSSCGKSA-N 0 0 396.509 3.191 40 0 GGABRN CSc1cccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2)S(C)(=O)=O)c1 ZINC000220073679 570381506 /nfs/dbraw/zinc/38/15/06/570381506.db2.gz PDQICWNHLKHVFS-OAHLLOKOSA-N 0 0 392.546 3.360 40 0 GGABRN Cc1cc(C)cc(NC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)c1 ZINC000220099842 570381818 /nfs/dbraw/zinc/38/18/18/570381818.db2.gz PHAHUPPTCIRAHN-UHFFFAOYSA-N 0 0 390.505 3.495 40 0 GGABRN CCOc1ccccc1NC(=O)[C@H](C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220118293 570382211 /nfs/dbraw/zinc/38/22/11/570382211.db2.gz PFHWORGROAHLFA-HNNXBMFYSA-N 0 0 376.478 3.187 40 0 GGABRN Cc1cccc(N([C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)c1 ZINC000220137728 570382360 /nfs/dbraw/zinc/38/23/60/570382360.db2.gz HXTQKWDBOUOMHW-ROUUACIJSA-N 0 0 388.533 3.287 40 0 GGABRN CCOc1cccc(NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c1 ZINC000220142780 570382641 /nfs/dbraw/zinc/38/26/41/570382641.db2.gz DYQNUWIETYUMPP-OAHLLOKOSA-N 0 0 376.478 3.187 40 0 GGABRN COc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000220146188 570382723 /nfs/dbraw/zinc/38/27/23/570382723.db2.gz ZJKKQQRKARCKPO-JKSUJKDBSA-N 0 0 390.505 3.036 40 0 GGABRN Cc1cccc(N([C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)c1 ZINC000220145954 570382773 /nfs/dbraw/zinc/38/27/73/570382773.db2.gz KMHAGTZJTMHVCL-OXJNMPFZSA-N 0 0 386.517 3.343 40 0 GGABRN COc1cccc(N([C@@H](C)C(=O)Nc2cccc(C)c2C)S(C)(=O)=O)c1 ZINC000220159914 570383008 /nfs/dbraw/zinc/38/30/08/570383008.db2.gz YFOSFZCPVDLLKJ-HNNXBMFYSA-N 0 0 376.478 3.105 40 0 GGABRN CCc1ccccc1NC(=O)[C@@H](C)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220155986 570383027 /nfs/dbraw/zinc/38/30/27/570383027.db2.gz TZZWCVKSUQMDGV-CQSZACIVSA-N 0 0 376.478 3.051 40 0 GGABRN COc1cccc(N([C@H](C)C(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)c1 ZINC000220163813 570383184 /nfs/dbraw/zinc/38/31/84/570383184.db2.gz QPSATBQKOOIOIO-CYBMUJFWSA-N 0 0 396.896 3.450 40 0 GGABRN COc1cccc(N([C@@H](C)C(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)c1 ZINC000220164062 570383191 /nfs/dbraw/zinc/38/31/91/570383191.db2.gz RJIBSEZASHQBHL-ZDUSSCGKSA-N 0 0 396.896 3.450 40 0 GGABRN COc1cccc(N([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)S(C)(=O)=O)c1 ZINC000220169760 570383412 /nfs/dbraw/zinc/38/34/12/570383412.db2.gz OVPZIMGYMVHBMB-INIZCTEOSA-N 0 0 390.505 3.414 40 0 GGABRN CCc1cccc(C)c1NC(=O)[C@@H](C)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220170386 570383540 /nfs/dbraw/zinc/38/35/40/570383540.db2.gz CYNCZGYYUNIBLR-OAHLLOKOSA-N 0 0 390.505 3.359 40 0 GGABRN CCOc1ccc(NC(=O)[C@@H](C)N(c2ccc(CC)cc2)S(C)(=O)=O)cc1 ZINC000220263433 570384271 /nfs/dbraw/zinc/38/42/71/570384271.db2.gz CQKHLRKBXMMNFW-OAHLLOKOSA-N 0 0 390.505 3.441 40 0 GGABRN CCc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000220288251 570384541 /nfs/dbraw/zinc/38/45/41/570384541.db2.gz XPXXHUAMZTZZJL-LSDHHAIUSA-N 0 0 392.496 3.420 40 0 GGABRN CO[C@H]1C[C@H](OC(=O)c2ccc(C)cc2)[C@H](COC(=O)c2ccc(C)cc2)O1 ZINC000004557099 570384576 /nfs/dbraw/zinc/38/45/76/570384576.db2.gz MTMWQYDEGWXCTH-SLFFLAALSA-N 0 0 384.428 3.447 40 0 GGABRN C[C@H](C(=O)N[C@@H](C)CCc1ccccc1)N(c1ccccc1F)S(C)(=O)=O ZINC000220310714 570384828 /nfs/dbraw/zinc/38/48/28/570384828.db2.gz UUZPRZUCBGUAJA-JKSUJKDBSA-N 0 0 392.496 3.118 40 0 GGABRN Cc1cccc(CCCNC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 ZINC000220314930 570384843 /nfs/dbraw/zinc/38/48/43/570384843.db2.gz BHOSGMKRSOTLKN-INIZCTEOSA-N 0 0 392.496 3.038 40 0 GGABRN COc1ccc(C)cc1N([C@@H](C)C(=O)N[C@@H](C)c1ccccc1)S(C)(=O)=O ZINC000220324942 570384848 /nfs/dbraw/zinc/38/48/48/570384848.db2.gz CMSKMFOKODYWQZ-HOTGVXAUSA-N 0 0 390.505 3.036 40 0 GGABRN COc1ccc(C)cc1N([C@H](C)C(=O)Nc1cccc(Cl)c1)S(C)(=O)=O ZINC000220326841 570385223 /nfs/dbraw/zinc/38/52/23/570385223.db2.gz XCFXJCQVOHZKBW-CYBMUJFWSA-N 0 0 396.896 3.450 40 0 GGABRN CCOc1ccccc1NC(=O)[C@@H]1CSc2nc(C(C)(C)C)cc(=O)n2C1 ZINC000090609689 570385297 /nfs/dbraw/zinc/38/52/97/570385297.db2.gz AJYDDAOAVHHBQJ-ZDUSSCGKSA-N 0 0 387.505 3.300 40 0 GGABRN Cc1ccc(CNC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000220357691 570385532 /nfs/dbraw/zinc/38/55/32/570385532.db2.gz GUEWYOBDXSAXNO-OAHLLOKOSA-N 0 0 394.924 3.428 40 0 GGABRN O=C(C1CC1)N1CCc2cc(S(=O)(=O)N[C@H]3CCCc4ccccc43)ccc21 ZINC000004971437 570386474 /nfs/dbraw/zinc/38/64/74/570386474.db2.gz SKNGRRYNJZTDTL-FQEVSTJZSA-N 0 0 396.512 3.342 40 0 GGABRN Cc1ccc(N(CC(=O)Nc2cccc(OC(C)C)c2)S(C)(=O)=O)c(C)c1 ZINC000408629516 570386872 /nfs/dbraw/zinc/38/68/72/570386872.db2.gz CPILSUSODCDZRU-UHFFFAOYSA-N 0 0 390.505 3.495 40 0 GGABRN Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1C ZINC000220489510 570386956 /nfs/dbraw/zinc/38/69/56/570386956.db2.gz KFFQNAYLPAOBEZ-HOTGVXAUSA-N 0 0 392.496 3.474 40 0 GGABRN CC[C@@H](C(=O)Nc1cccc(C(C)=O)c1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220508855 570387273 /nfs/dbraw/zinc/38/72/73/570387273.db2.gz AMUXGCNLWDYPRT-IBGZPJMESA-N 0 0 388.489 3.381 40 0 GGABRN CC[C@H](C(=O)Nc1ccc(F)c(F)c1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220510209 570387722 /nfs/dbraw/zinc/38/77/22/570387722.db2.gz JJTGNFRUKBAIBC-QGZVFWFLSA-N 0 0 382.432 3.457 40 0 GGABRN CC[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220510139 570387751 /nfs/dbraw/zinc/38/77/51/570387751.db2.gz JJTGNFRUKBAIBC-KRWDZBQOSA-N 0 0 382.432 3.457 40 0 GGABRN CC[C@H](C(=O)NCc1cccc(C)c1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220550641 570388091 /nfs/dbraw/zinc/38/80/91/570388091.db2.gz WHMZOJKAQPKKOL-LJQANCHMSA-N 0 0 388.533 3.473 40 0 GGABRN CC[C@H](C(=O)Nc1ccccc1OC)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220533119 570388099 /nfs/dbraw/zinc/38/80/99/570388099.db2.gz AOJDAYPDPZPRPT-QGZVFWFLSA-N 0 0 390.505 3.495 40 0 GGABRN CC[C@H](C(=O)N1CCc2ccccc21)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220546897 570388110 /nfs/dbraw/zinc/38/81/10/570388110.db2.gz TWODKEPSNMRUQF-GOSISDBHSA-N 0 0 386.517 3.437 40 0 GGABRN CC[C@@H](C(=O)NCc1ccccc1C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220535250 570388121 /nfs/dbraw/zinc/38/81/21/570388121.db2.gz JFPQHJTTWDAKGJ-IBGZPJMESA-N 0 0 388.533 3.473 40 0 GGABRN CC1CCN(C(=O)COC(=O)COc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000004979410 570388594 /nfs/dbraw/zinc/38/85/94/570388594.db2.gz NCNASAUGUAWXOX-UHFFFAOYSA-N 0 0 395.455 3.098 40 0 GGABRN CC[C@@H](C(=O)NCc1cccc(C)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220578285 570388789 /nfs/dbraw/zinc/38/87/89/570388789.db2.gz NEHCUBRICDMMFM-FQEVSTJZSA-N 0 0 388.533 3.473 40 0 GGABRN CC[C@@H](C(=O)NCCCc1ccccc1)N(c1ccccc1F)S(C)(=O)=O ZINC000220602365 570389178 /nfs/dbraw/zinc/38/91/78/570389178.db2.gz IBEXMYDKUHOXET-SFHVURJKSA-N 0 0 392.496 3.119 40 0 GGABRN CC[C@H](C(=O)Nc1ccc(F)c(F)c1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220622915 570389579 /nfs/dbraw/zinc/38/95/79/570389579.db2.gz RQNRFUSDAPKXAT-QGZVFWFLSA-N 0 0 398.431 3.157 40 0 GGABRN CC[C@H](C(=O)NCCC1=CCCCC1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220618905 570389670 /nfs/dbraw/zinc/38/96/70/570389670.db2.gz MWXVWOJVRAWXSX-LJQANCHMSA-N 0 0 394.537 3.247 40 0 GGABRN CC[C@@H](C(=O)Nc1ccc(F)cc1F)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220645841 570389878 /nfs/dbraw/zinc/38/98/78/570389878.db2.gz RLKNIQYIRBAOPW-KRWDZBQOSA-N 0 0 398.431 3.157 40 0 GGABRN CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(-c3noc(C)n3)c2)cc1 ZINC000035538808 570391263 /nfs/dbraw/zinc/39/12/63/570391263.db2.gz IIPICTVPXQMSGF-UHFFFAOYSA-N 0 0 389.433 3.253 40 0 GGABRN CCOc1ccc(NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1 ZINC000006340817 570391419 /nfs/dbraw/zinc/39/14/19/570391419.db2.gz RSHXCCWPTAZUKF-SZNDQCEHSA-N 0 0 387.480 3.161 40 0 GGABRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccncc3)cc2)cc1 ZINC000006343460 570391787 /nfs/dbraw/zinc/39/17/87/570391787.db2.gz NSVDWDITLPBEHO-UHFFFAOYSA-N 0 0 381.457 3.121 40 0 GGABRN COc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 ZINC000004998152 570391931 /nfs/dbraw/zinc/39/19/31/570391931.db2.gz LBWQPUGHRYCJQM-LBPRGKRZSA-N 0 0 383.404 3.253 40 0 GGABRN COc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000004998109 570391942 /nfs/dbraw/zinc/39/19/42/570391942.db2.gz OGNQZFSQJMCLIT-LLVKDONJSA-N 0 0 393.852 3.438 40 0 GGABRN COc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(OC)c(OC)c3)n2)cc1 ZINC000004998237 570391964 /nfs/dbraw/zinc/39/19/64/570391964.db2.gz VKXJDXZZTVVHOF-GFCCVEGCSA-N 0 0 383.404 3.253 40 0 GGABRN COc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(OC)c(OC)c3)n2)cc1 ZINC000004998235 570391978 /nfs/dbraw/zinc/39/19/78/570391978.db2.gz VKXJDXZZTVVHOF-LBPRGKRZSA-N 0 0 383.404 3.253 40 0 GGABRN S=C1N[C@@H](/C=C\c2ccccc2)N2C(=S)N[C@H](/C=C\c3ccccc3)N12 ZINC000004683238 570393032 /nfs/dbraw/zinc/39/30/32/570393032.db2.gz HWPJVFAHJIDXJJ-DTTFYWOOSA-N 0 0 378.526 3.361 40 0 GGABRN CC(C)CCC[C@@H](C)NC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 ZINC000035485388 570393245 /nfs/dbraw/zinc/39/32/45/570393245.db2.gz VSCTURCAZQLJPI-SLWLNILOSA-N 0 0 382.504 3.304 40 0 GGABRN COC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000005000653 570393344 /nfs/dbraw/zinc/39/33/44/570393344.db2.gz XLQHQYGNOCQCFO-FQEVSTJZSA-N 0 0 387.432 3.435 40 0 biogenic GGABRN Cc1nc2ccc(C(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)cc2nc1C ZINC000032740802 570393485 /nfs/dbraw/zinc/39/34/85/570393485.db2.gz YJRPRPUESGGTCD-UHFFFAOYSA-N 0 0 391.399 3.495 40 0 GGABRN CC(C)NS(=O)(=O)c1cccc(CNC(=O)/C=C/c2cccc(Cl)c2)c1 ZINC000032796336 570395165 /nfs/dbraw/zinc/39/51/65/570395165.db2.gz JMFQLYXDMRKSHH-MDZDMXLPSA-N 0 0 392.908 3.356 40 0 GGABRN CCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000023658277 570395552 /nfs/dbraw/zinc/39/55/52/570395552.db2.gz ZTPFLAKGEQYLFO-UHFFFAOYSA-N 0 0 390.505 3.115 40 0 GGABRN CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(F)c(F)c2F)c1C ZINC000006350292 570395991 /nfs/dbraw/zinc/39/59/91/570395991.db2.gz IDMOGYTXGBONML-UHFFFAOYSA-N 0 0 398.337 3.021 40 0 GGABRN O=C1C2=C(CN1Cc1cccs1)NC(=O)N[C@@H]2c1ccccc1C(F)(F)F ZINC000035590314 570399020 /nfs/dbraw/zinc/39/90/20/570399020.db2.gz MTSDWTVRZYMNSU-OAHLLOKOSA-N 0 0 393.390 3.417 40 0 GGABRN CCc1nnsc1C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCCC1 ZINC000024495446 570402609 /nfs/dbraw/zinc/40/26/09/570402609.db2.gz HGRBXELDIQUFPQ-UHFFFAOYSA-N 0 0 382.530 3.448 40 0 GGABRN CCCOc1ccc(/C=C/C(=O)N2CCN(Cc3ccccn3)CC2)cc1OC ZINC000033237274 570403039 /nfs/dbraw/zinc/40/30/39/570403039.db2.gz BEAUQGSJBMUDFR-CSKARUKUSA-N 0 0 395.503 3.237 40 0 GGABRN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnnn2-c2ccccc2)c1C ZINC000005035427 570403997 /nfs/dbraw/zinc/40/39/97/570403997.db2.gz JHCVEYBFQUWJBP-CYBMUJFWSA-N 0 0 399.476 3.147 40 0 GGABRN O=C(COC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)N1CCC[C@@H]1c1cccs1 ZINC000024632061 570404243 /nfs/dbraw/zinc/40/42/43/570404243.db2.gz YDQQFXFZCYIFIY-VFSICIBPSA-N 0 0 375.490 3.350 40 0 GGABRN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1 ZINC000006416522 570405819 /nfs/dbraw/zinc/40/58/19/570405819.db2.gz WUNMXLIOEWMKAU-NVXWUHKLSA-N 0 0 390.480 3.104 40 0 GGABRN C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1 ZINC000006416523 570405877 /nfs/dbraw/zinc/40/58/77/570405877.db2.gz WUNMXLIOEWMKAU-WBVHZDCISA-N 0 0 390.480 3.104 40 0 GGABRN COc1ccc(OCC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1 ZINC000010972070 570407262 /nfs/dbraw/zinc/40/72/62/570407262.db2.gz WZORDXVHSLWJFG-UHFFFAOYSA-N 0 0 384.432 3.094 40 0 GGABRN CNC(=O)c1ccc(CN(C)C(=O)/C=C/c2cc3c(c(Cl)c2)OCO3)cc1 ZINC000024277597 570407915 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CCc1ccc(O[C@H](CC)C(=O)Nc2nnc(SCC(=O)OC)s2)cc1 ZINC000223579153 570472246 /nfs/dbraw/zinc/47/22/46/570472246.db2.gz IZCURDMVBHPUAY-CYBMUJFWSA-N 0 0 395.506 3.162 40 0 GGABRN O=S(=O)(c1cccc2cccnc21)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000006228205 570472665 /nfs/dbraw/zinc/47/26/65/570472665.db2.gz PYIILMHMOYVOEO-TWGQIWQCSA-N 0 0 393.512 3.255 40 0 GGABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000006247782 570473959 /nfs/dbraw/zinc/47/39/59/570473959.db2.gz PAJUMLJKKDNBLL-UHFFFAOYSA-N 0 0 392.440 3.145 40 0 GGABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1C ZINC000223640727 570476292 /nfs/dbraw/zinc/47/62/92/570476292.db2.gz DZRWFHNMHGSSBY-UHFFFAOYSA-N 0 0 388.489 3.431 40 0 GGABRN COc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3ccc(C)cc3)n2)cc1 ZINC000223641796 570476298 /nfs/dbraw/zinc/47/62/98/570476298.db2.gz RGYUFPUVEUFTBC-UHFFFAOYSA-N 0 0 387.461 3.015 40 0 GGABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 ZINC000223647623 570476652 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570602068 /nfs/dbraw/zinc/60/20/68/570602068.db2.gz HHHWXXQAYKLLNJ-GOSISDBHSA-N 0 0 382.504 3.488 40 0 GGABRN COc1ccccc1-c1c2c(ccn(CCc3ccccc3)c2=O)nc2ncnn21 ZINC000040398177 570602018 /nfs/dbraw/zinc/60/20/18/570602018.db2.gz IHYBVMUGYPQRGS-UHFFFAOYSA-N 0 0 397.438 3.358 40 0 GGABRN COc1cccc(-c2c3c(ccn(Cc4ccccc4)c3=O)nc3nc(C)nn32)c1 ZINC000040398511 570602263 /nfs/dbraw/zinc/60/22/63/570602263.db2.gz ZJOPVJHOZXXVOO-UHFFFAOYSA-N 0 0 397.438 3.472 40 0 GGABRN C[C@@H]1CCc2c(sc3[nH]c(COC(=O)c4ccc(C=O)cc4)nc(=O)c23)C1 ZINC000003315737 570602729 /nfs/dbraw/zinc/60/27/29/570602729.db2.gz ZVLIMBLIXVSXEA-LLVKDONJSA-N 0 0 382.441 3.279 40 0 GGABRN CCOc1ccccc1NC(=O)[C@H](OC(=O)c1cnccn1)c1ccccc1 ZINC000005469247 570603292 /nfs/dbraw/zinc/60/32/92/570603292.db2.gz WRVIWWMCSSKFLI-LJQANCHMSA-N 0 0 377.400 3.412 40 0 GGABRN CCn1c2ccc(S(=O)(=O)NCCCc3cccc(C)c3)cc2sc1=O ZINC000225692194 570603735 /nfs/dbraw/zinc/60/37/35/570603735.db2.gz QYHOSYUVKXKPPT-UHFFFAOYSA-N 0 0 390.530 3.302 40 0 GGABRN 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O=C(c1cccc(F)c1)N1CCC2(CCC(=O)N(CC3CCOCC3)C2)CC1 ZINC000585102185 570928498 /nfs/dbraw/zinc/92/84/98/570928498.db2.gz KXXFZOGSGTWKLG-UHFFFAOYSA-N 0 0 388.483 3.097 40 0 GGABRN C[C@H](C(=O)NCc1ccc(F)cc1)n1nnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000015364979 570930781 /nfs/dbraw/zinc/93/07/81/570930781.db2.gz MGHCAXQPVWXAMI-LLVKDONJSA-N 0 0 393.344 3.375 40 0 GGABRN CCS(=O)(=O)N1CC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21 ZINC000585102979 570931737 /nfs/dbraw/zinc/93/17/37/570931737.db2.gz AWNYTVCQBMWYBK-UHFFFAOYSA-N 0 0 390.530 3.092 40 0 GGABRN CC(C)(C)c1ccc(/C=C/C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000024594984 570932658 /nfs/dbraw/zinc/93/26/58/570932658.db2.gz PETCZSOEZSWXPP-MDWZMJQESA-N 0 0 386.517 3.004 40 0 GGABRN CC(C)CCNC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccccc1 ZINC000015397951 570933891 /nfs/dbraw/zinc/93/38/91/570933891.db2.gz UOAJFQUMLHJFCP-UHFFFAOYSA-N 0 0 378.469 3.183 40 0 GGABRN COC(=O)c1ccc(CS(=O)(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000192893994 570934068 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394.437 3.301 40 0 GGABRN Cc1cccc(C)c1NC(=O)CN(C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000015441336 570935392 /nfs/dbraw/zinc/93/53/92/570935392.db2.gz ZBGJKACPQVQHJH-UHFFFAOYSA-N 0 0 384.867 3.264 40 0 GGABRN Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(Cc4nccn4C)C[C@@H]32)o1 ZINC000585109541 570937745 /nfs/dbraw/zinc/93/77/45/570937745.db2.gz BAFIBLABCDUHDY-BBTUJRGHSA-N 0 0 376.460 3.022 40 0 GGABRN Cc1ccc(CC(=O)N2CCC3(CC2)O[C@@H](C(=O)N(C)C)c2ccccc23)cc1 ZINC000585109625 570938280 /nfs/dbraw/zinc/93/82/80/570938280.db2.gz GFTKUXORGFQSNG-JOCHJYFZSA-N 0 0 392.499 3.215 40 0 GGABRN COc1cc(CCC(=O)N2CCc3[nH]nc(-c4ccc(C)cc4)c3CC2)ccn1 ZINC000585110391 570938738 /nfs/dbraw/zinc/93/87/38/570938738.db2.gz ORNTXKRZHBNLNF-UHFFFAOYSA-N 0 0 390.487 3.349 40 0 GGABRN O=C(c1ccc(F)cc1)N1CCc2[nH]nc(-c3cnn(CC4CC4)c3)c2CC1 ZINC000585110316 570939185 /nfs/dbraw/zinc/93/91/85/570939185.db2.gz DTAGLQSTVPWZOQ-UHFFFAOYSA-N 0 0 379.439 3.063 40 0 GGABRN COc1ccc(-c2n[nH]c3c2CCN(C(=O)Cc2ccc(F)cc2)CC3)cc1 ZINC000585110423 570939209 /nfs/dbraw/zinc/93/92/09/570939209.db2.gz SOYLKZBTOXMYAJ-UHFFFAOYSA-N 0 0 379.435 3.394 40 0 GGABRN CC(=O)Nc1ccc(C2=N/C(=C\c3cccc4c3OCCCO4)C(=O)O2)cc1 ZINC000054425195 570940023 /nfs/dbraw/zinc/94/00/23/570940023.db2.gz NFIFBNUHCHUMSG-ATVHPVEESA-N 0 0 378.384 3.151 40 0 GGABRN CCc1cc(-c2nc(N)ncc2-c2ccc3c(c2)OCCO3)c(O)cc1OC ZINC000002090392 570940038 /nfs/dbraw/zinc/94/00/38/570940038.db2.gz GKACITUUHUHRDX-UHFFFAOYSA-N 0 0 379.416 3.441 40 0 biogenic GGABRN CCOc1ccc(N(CC(=O)Nc2ccc(CC)cc2)S(C)(=O)=O)cc1 ZINC000165053442 570940469 /nfs/dbraw/zinc/94/04/69/570940469.db2.gz DUZUKVNMPUTGDR-UHFFFAOYSA-N 0 0 376.478 3.052 40 0 GGABRN CCOc1ccc(CCNC(=O)COCCOc2ccccc2)cc1OCC ZINC000032928318 570940760 /nfs/dbraw/zinc/94/07/60/570940760.db2.gz BTASENCAYSYBTG-UHFFFAOYSA-N 0 0 387.476 3.238 40 0 GGABRN O=C(CCc1ccccc1)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 ZINC000585111390 570941539 /nfs/dbraw/zinc/94/15/39/570941539.db2.gz RTGKTNFRVNCUPO-OAQYLSRUSA-N 0 0 375.472 3.294 40 0 GGABRN 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O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1cc(F)ccc1F ZINC000585111013 570944501 /nfs/dbraw/zinc/94/45/01/570944501.db2.gz ALNHKKDVNNOQBP-LJQANCHMSA-N 0 0 383.398 3.253 40 0 GGABRN CCOc1cccc(C(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)c1 ZINC000585111099 570944535 /nfs/dbraw/zinc/94/45/35/570944535.db2.gz DFFSFDUUBHQKAQ-NRFANRHFSA-N 0 0 391.471 3.374 40 0 GGABRN COc1ccc(-c2cnc3n2CCN(C(=O)c2ccc(F)cc2OC)CC3)cc1 ZINC000585111072 570944566 /nfs/dbraw/zinc/94/45/66/570944566.db2.gz CBXHVRJYVHYRJW-UHFFFAOYSA-N 0 0 395.434 3.405 40 0 GGABRN O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccc(Cl)cc1O ZINC000585111062 570944642 /nfs/dbraw/zinc/94/46/42/570944642.db2.gz BVZFDXGOWQSTQQ-IBGZPJMESA-N 0 0 397.862 3.334 40 0 GGABRN CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)c1C ZINC000036656913 570944717 /nfs/dbraw/zinc/94/47/17/570944717.db2.gz TYQMYVFTIQFZTF-RKLWJJNISA-N 0 0 392.496 3.294 40 0 GGABRN CCOc1ccc(C(=O)N2CCc3ncc(-c4ccnc(OC)c4)n3CC2)cc1 ZINC000585111120 570945222 /nfs/dbraw/zinc/94/52/22/570945222.db2.gz FGYBSDGTSSDDNI-UHFFFAOYSA-N 0 0 392.459 3.051 40 0 GGABRN C[C@@]1(c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)NC(=O)NC1=O ZINC000047167130 570945606 /nfs/dbraw/zinc/94/56/06/570945606.db2.gz USHIEQGAULISRC-KRWDZBQOSA-N 0 0 377.322 3.012 40 0 GGABRN Cc1ccc(F)cc1C(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 ZINC000585111330 570946177 /nfs/dbraw/zinc/94/61/77/570946177.db2.gz OORUWHLSUUYITI-FQEVSTJZSA-N 0 0 379.435 3.423 40 0 GGABRN CCC(=O)Nc1sc(C(=O)Nc2ccccc2OC)c(C)c1C(=O)OC ZINC000000872029 570947301 /nfs/dbraw/zinc/94/73/01/570947301.db2.gz HZHAZNRBMCERIH-UHFFFAOYSA-N 0 0 376.434 3.453 40 0 GGABRN CC(C)c1ccccc1OC[C@@H](O)CN1CCN(c2ccc(C=O)s2)CC1 ZINC000025665406 570948447 /nfs/dbraw/zinc/94/84/47/570948447.db2.gz GBCNOSDVAZAAJD-KRWDZBQOSA-N 0 0 388.533 3.246 40 0 GGABRN CCOC[C@]1(C(N)=S)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252514285 570950369 /nfs/dbraw/zinc/95/03/69/570950369.db2.gz BSWHORNKXWHJMI-NSHGMRRFSA-N 0 0 389.542 3.244 40 0 GGABRN CC(=O)c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc1C ZINC000036442146 570951282 /nfs/dbraw/zinc/95/12/82/570951282.db2.gz KHNTVXJAXSMOHK-INIZCTEOSA-N 0 0 378.469 3.370 40 0 GGABRN O=S(=O)(Cc1ccccc1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000020522862 570951496 /nfs/dbraw/zinc/95/14/96/570951496.db2.gz FQXDVKLGMIIVEA-UHFFFAOYSA-N 0 0 380.513 3.487 40 0 GGABRN Cc1ccc(SCCC(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1C ZINC000047299030 570952838 /nfs/dbraw/zinc/95/28/38/570952838.db2.gz LFOIRIKLWJGKKK-OAQYLSRUSA-N 0 0 397.500 3.479 40 0 GGABRN CC(C)CO[C@@H](C)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000047382199 570954621 /nfs/dbraw/zinc/95/46/21/570954621.db2.gz AVLLROCBPGUGOL-LBPRGKRZSA-N 0 0 393.837 3.464 40 0 GGABRN Cc1cc(-c2cnc(N3CCC(NC(=O)[C@H]4C[C@@H]4C)CC3)nc2C2CC2)on1 ZINC000019121687 570957557 /nfs/dbraw/zinc/95/75/57/570957557.db2.gz SKIHXPDNOKJKOE-LRDDRELGSA-N 0 0 381.480 3.058 40 0 GGABRN Cc1cc(C)cc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 ZINC000001324719 570957757 /nfs/dbraw/zinc/95/77/57/570957757.db2.gz IKFTWZZKSLPMNM-SFHVURJKSA-N 0 0 388.489 3.013 40 0 GGABRN CC(C)[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)n1nnc(-c2ccccc2)n1 ZINC000052959013 570958415 /nfs/dbraw/zinc/95/84/15/570958415.db2.gz LLNWKBJFKBIRLG-LJQANCHMSA-N 0 0 393.447 3.337 40 0 GGABRN O[C@H](CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1)c1ccccc1 ZINC000012108445 570958533 /nfs/dbraw/zinc/95/85/33/570958533.db2.gz BSKTUFHGWJCJDV-QZTJIDSGSA-N 0 0 388.537 3.273 40 0 GGABRN CC(=O)Oc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1OC(C)=O ZINC000003569287 570961521 /nfs/dbraw/zinc/96/15/21/570961521.db2.gz OSBARNVKCKREBO-LZYBPNLTSA-N 0 0 383.331 3.021 40 0 GGABRN Cc1ccc(-c2nnc(CNC(=O)c3cccc(Cn4ccnc4)c3)o2)s1 ZINC000019217940 570962257 /nfs/dbraw/zinc/96/22/57/570962257.db2.gz FBGPTEXIMBCIOA-UHFFFAOYSA-N 0 0 379.445 3.281 40 0 GGABRN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)N[C@H](C)c1ccc4c(c1)OCCO4)(C3)C2 ZINC000012694373 570963508 /nfs/dbraw/zinc/96/35/08/570963508.db2.gz AVYWYDGKKDKCJO-PSUPBEEBSA-N 0 0 398.503 3.110 40 0 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CCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)c2ccccc2)cc1 ZINC000008433600 1398831589 /nfs/dbraw/zinc/83/15/89/1398831589.db2.gz YWNJROHVZPPUBF-UHFFFAOYSA-N 0 0 397.427 3.398 40 0 GGABRN Cc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)NCc1ccccc1 ZINC000008433577 1398831634 /nfs/dbraw/zinc/83/16/34/1398831634.db2.gz VCKLYVRICPOUPT-UHFFFAOYSA-N 0 0 388.851 3.227 40 0 GGABRN CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(O)cc4)c3)C(=O)[C@H]2C1 ZINC000008472454 1398832835 /nfs/dbraw/zinc/83/28/35/1398832835.db2.gz UJDXQCZQLXQCBY-MOPGFXCFSA-N 0 0 376.412 3.490 40 0 GGABRN COc1ccc(C(=O)N2CCC(C)CC2)cc1S(=O)(=O)NC1CCCCC1 ZINC000008475807 1398833150 /nfs/dbraw/zinc/83/31/50/1398833150.db2.gz BEEPHHRFJOIFOG-UHFFFAOYSA-N 0 0 394.537 3.178 40 0 GGABRN CCOc1ccc(-n2nc(C(=O)NCCCOC)nc2-c2cccc(C)c2)cc1 ZINC000008476374 1398833245 /nfs/dbraw/zinc/83/32/45/1398833245.db2.gz XSGILEUJRMNSDK-UHFFFAOYSA-N 0 0 394.475 3.408 40 0 GGABRN COCCCNC(=O)c1nc(-c2cccc(C)c2)n(-c2ccc(OC)cc2)n1 ZINC000008476320 1398833248 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C[C@@H](Sc1n[nH]c(=O)n1C[C@@H]1CCCO1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008778189 1398846643 /nfs/dbraw/zinc/84/66/43/1398846643.db2.gz HHQSAGFNGMYPSB-JLZSUIFSSA-N 0 0 391.537 3.017 40 0 GGABRN CSCC[C@H](NC(=O)c1n[nH]c(=O)c2ccccc21)c1nc2ccccc2[nH]1 ZINC000008776443 1398846724 /nfs/dbraw/zinc/84/67/24/1398846724.db2.gz BDSCALWAZODFMF-INIZCTEOSA-N 0 0 393.472 3.024 40 0 GGABRN Cc1cc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c(C)c1 ZINC000008847966 1398847599 /nfs/dbraw/zinc/84/75/99/1398847599.db2.gz QPERSIJPYWPUQU-IBGZPJMESA-N 0 0 394.471 3.142 40 0 GGABRN Cc1cc(C)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(C)c1 ZINC000008847963 1398847800 /nfs/dbraw/zinc/84/78/00/1398847800.db2.gz QPERSIJPYWPUQU-LJQANCHMSA-N 0 0 394.471 3.142 40 0 GGABRN CCOC(=O)c1ccccc1NC(=O)COC(=O)CCC(=O)c1ccc(C)cc1 ZINC000008930116 1398849400 /nfs/dbraw/zinc/84/94/00/1398849400.db2.gz JBOKSAFAUIETSR-UHFFFAOYSA-N 0 0 397.427 3.317 40 0 GGABRN CCN1c2cc(NC(=O)COc3ccc(OC)cc3)ccc2OCC(C)(C)C1=O ZINC000008959520 1398850150 /nfs/dbraw/zinc/85/01/50/1398850150.db2.gz LGWNZMZQQUYCIA-UHFFFAOYSA-N 0 0 398.459 3.484 40 0 GGABRN CCN1c2ccc(NC(=O)COc3ccc(OC)cc3)cc2OCC(C)(C)C1=O ZINC000008958703 1398850246 /nfs/dbraw/zinc/85/02/46/1398850246.db2.gz SGKQUQARHLHSJN-UHFFFAOYSA-N 0 0 398.459 3.484 40 0 GGABRN CCOc1ccc(NC(=O)CN(C)Cc2ccc(OC)c(OC)c2OC)cc1 ZINC000008988041 1398851127 /nfs/dbraw/zinc/85/11/27/1398851127.db2.gz MGAMOFRRNROHBC-UHFFFAOYSA-N 0 0 388.464 3.182 40 0 GGABRN C/C=C/C(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000009062397 1398852850 /nfs/dbraw/zinc/85/28/50/1398852850.db2.gz LPLRRWYBFZNRCV-DUXPYHPUSA-N 0 0 393.359 3.412 40 0 GGABRN C/C=C/C(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000009062420 1398852942 /nfs/dbraw/zinc/85/29/42/1398852942.db2.gz LEWJMRJPYBFRAH-GORDUTHDSA-N 0 0 393.359 3.412 40 0 GGABRN O=C(COC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc(Cl)s1 ZINC000009466712 1398859107 /nfs/dbraw/zinc/85/91/07/1398859107.db2.gz JWJXRCWTUJHZEZ-AWEZNQCLSA-N 0 0 391.876 3.219 40 0 GGABRN CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)nn1 ZINC000009627002 1398861289 /nfs/dbraw/zinc/86/12/89/1398861289.db2.gz VNEGLDQZQQBMTC-UHFFFAOYSA-N 0 0 381.457 3.498 40 0 GGABRN COc1cccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1 ZINC000009708958 1398864268 /nfs/dbraw/zinc/86/42/68/1398864268.db2.gz DXEBCUHMFIFJDS-UHFFFAOYSA-N 0 0 378.436 3.204 40 0 GGABRN CC(=O)Nc1nc(COC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cs1 ZINC000009834647 1398867612 /nfs/dbraw/zinc/86/76/12/1398867612.db2.gz BXJKMZJVKJGXFV-INIZCTEOSA-N 0 0 376.434 3.016 40 0 GGABRN Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 ZINC000009950046 1398871699 /nfs/dbraw/zinc/87/16/99/1398871699.db2.gz MROHKVGAIJXFDN-UHFFFAOYSA-N 0 0 386.517 3.360 40 0 GGABRN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000009973428 1398872124 /nfs/dbraw/zinc/87/21/24/1398872124.db2.gz XMYUUMDAHIZLDX-UXBLZVDNSA-N 0 0 388.376 3.281 40 0 GGABRN COc1ccc(CCNC(=O)NCc2ccccc2OC(F)F)cc1OC ZINC000010036487 1398873662 /nfs/dbraw/zinc/87/36/62/1398873662.db2.gz KXEGVNIZFDVETE-UHFFFAOYSA-N 0 0 380.391 3.347 40 0 GGABRN Cc1ccc(N([C@@H](C)C(=O)NCCCc2ccccc2)S(C)(=O)=O)cc1C ZINC000010110275 1398875809 /nfs/dbraw/zinc/87/58/09/1398875809.db2.gz WXPSWGDADPSFMA-SFHVURJKSA-N 0 0 388.533 3.207 40 0 GGABRN CS(=O)(=O)N(CC(=O)NCCCc1ccccc1)c1cccc2ccccc21 ZINC000010110237 1398875823 /nfs/dbraw/zinc/87/58/23/1398875823.db2.gz QKJQEUJJHXTOQD-UHFFFAOYSA-N 0 0 396.512 3.355 40 0 GGABRN CCC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000010128392 1398876661 /nfs/dbraw/zinc/87/66/61/1398876661.db2.gz QFZYSXVJAFKQAT-XLIONFOSSA-N 0 0 388.533 3.189 40 0 GGABRN CC(C)NS(=O)(=O)c1cccc(C(=O)NCC2(c3ccccc3)CCC2)c1 ZINC000010221551 1398880792 /nfs/dbraw/zinc/88/07/92/1398880792.db2.gz FOELDFNJOTUAPX-UHFFFAOYSA-N 0 0 386.517 3.225 40 0 GGABRN O=c1[nH]nc(C=Cc2ccccc2)c2c1Nc1nnnn1[C@@H]2c1cccc(F)c1 ZINC000010297907 1398885426 /nfs/dbraw/zinc/88/54/26/1398885426.db2.gz YAIMEHJKYLRVED-QZEKMECESA-N 0 0 387.378 3.173 40 0 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1399334474 /nfs/dbraw/zinc/33/44/74/1399334474.db2.gz HPLKTLPQCOEDBP-UHFFFAOYSA-N 0 0 397.494 3.234 40 0 GGABRN CN(C)c1ncc(CN2CCO[C@H](c3ccc(Cc4ccccc4)cn3)C2)cn1 ZINC000019692352 1399334512 /nfs/dbraw/zinc/33/45/12/1399334512.db2.gz NWIMIQZPBHJMSV-QFIPXVFZSA-N 0 0 389.503 3.102 40 0 GGABRN CCc1nc(-c2cncnc2[C@H]2CCN(C(=O)c3cccc(C)c3OC)C2)no1 ZINC000019693841 1399334530 /nfs/dbraw/zinc/33/45/30/1399334530.db2.gz OSERDAMCAZDMOQ-AWEZNQCLSA-N 0 0 393.447 3.036 40 0 GGABRN Cn1cc(C(=O)N2CCO[C@@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)cn1 ZINC000019687715 1399334533 /nfs/dbraw/zinc/33/45/33/1399334533.db2.gz SLJXQOSEOWBQCL-LJQANCHMSA-N 0 0 382.851 3.349 40 0 GGABRN CCCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(=O)C1CC1 ZINC000019696500 1399334672 /nfs/dbraw/zinc/33/46/72/1399334672.db2.gz VZGUTNWVIRGGEB-QFIPXVFZSA-N 0 0 381.476 3.182 40 0 GGABRN CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)C2CC2)CC1 ZINC000019700469 1399334722 /nfs/dbraw/zinc/33/47/22/1399334722.db2.gz VBKKMWSMPWAIAJ-UHFFFAOYSA-N 0 0 377.488 3.056 40 0 GGABRN CC(=O)N1CCC[C@]1(Cc1cc(-c2ccccc2)no1)C(=O)NC1(C)CCC1 ZINC000019696641 1399334735 /nfs/dbraw/zinc/33/47/35/1399334735.db2.gz JDBPXUMOLIBEGA-QFIPXVFZSA-N 0 0 381.476 3.324 40 0 GGABRN CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2cnn(C)c2)CCO1 ZINC000019696793 1399334833 /nfs/dbraw/zinc/33/48/33/1399334833.db2.gz NUHVAPBUZGJPCU-KRWDZBQOSA-N 0 0 398.532 3.347 40 0 GGABRN CC(C)C(=O)N1CCC(Cc2cccc(-c3cncnc3)c2)(C(=O)N(C)C)CC1 ZINC000019700353 1399334842 /nfs/dbraw/zinc/33/48/42/1399334842.db2.gz AUHDRKPGMRTSMT-UHFFFAOYSA-N 0 0 394.519 3.039 40 0 GGABRN CCNC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)C(C)C)CC1 ZINC000019700359 1399334850 /nfs/dbraw/zinc/33/48/50/1399334850.db2.gz BTGFISWVMYRMFY-UHFFFAOYSA-N 0 0 394.519 3.087 40 0 GGABRN Cc1nnc2n1C[C@H](c1cccc(NC(=O)Cn3ccnc3C(C)C)c1)CC2 ZINC000019699106 1399335000 /nfs/dbraw/zinc/33/50/00/1399335000.db2.gz GILQYHJHLYKWRL-QGZVFWFLSA-N 0 0 378.480 3.275 40 0 GGABRN CC(=O)N1CCC[C@@]1(Cc1cc(-c2ccccc2)no1)C(=O)NC1CCCC1 ZINC000019696472 1399335061 /nfs/dbraw/zinc/33/50/61/1399335061.db2.gz USVUDAPUQZUOJA-JOCHJYFZSA-N 0 0 381.476 3.324 40 0 GGABRN O=C(c1cnccn1)N1CC[C@H](c2cc(COc3cccc(Cl)c3)n[nH]2)C1 ZINC000019704554 1399335282 /nfs/dbraw/zinc/33/52/82/1399335282.db2.gz CYSOFGTWZIFIDH-ZDUSSCGKSA-N 0 0 383.839 3.062 40 0 GGABRN CC(C)Nc1n[nH]c2nc([C@@H]3CCN(CC(=O)Nc4ccc(F)cc4)C3)ccc12 ZINC000019704994 1399335474 /nfs/dbraw/zinc/33/54/74/1399335474.db2.gz IZZSYFNFUADFMG-CQSZACIVSA-N 0 0 396.470 3.345 40 0 GGABRN CCN(C(C)=O)[C@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)C2(C1)CCCCC2 ZINC000019703903 1399335534 /nfs/dbraw/zinc/33/55/34/1399335534.db2.gz XLFWVTBNJCKHFU-HXUWFJFHSA-N 0 0 395.507 3.053 40 0 GGABRN CCN(C(C)=O)[C@@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)C2(C1)CCCCC2 ZINC000019703902 1399335695 /nfs/dbraw/zinc/33/56/95/1399335695.db2.gz XLFWVTBNJCKHFU-FQEVSTJZSA-N 0 0 395.507 3.053 40 0 GGABRN CC(C)Nc1n[nH]c2nc([C@H]3CCN(CC(=O)Nc4ccc(F)cc4)C3)ccc12 ZINC000019704995 1399335760 /nfs/dbraw/zinc/33/57/60/1399335760.db2.gz IZZSYFNFUADFMG-AWEZNQCLSA-N 0 0 396.470 3.345 40 0 GGABRN Cc1oc2cc(OC(=O)[C@@H](C)N)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 ZINC000019702830 1399335770 /nfs/dbraw/zinc/33/57/70/1399335770.db2.gz STJWJBNSISCLNW-GFCCVEGCSA-N 0 0 395.411 3.182 40 0 biogenic GGABRN CC(=O)N[C@@H]1C[C@H](C(C)C)O[C@H](c2cccc(NC(=O)c3cnn(C)c3)c2)C1 ZINC000019712241 1399336038 /nfs/dbraw/zinc/33/60/38/1399336038.db2.gz VLMOUZQZSNDTTH-AQNXPRMDSA-N 0 0 384.480 3.053 40 0 GGABRN CC(=O)N1CC[C@H]2[C@H]1CCCCCN2C(=O)c1cccc(Nc2ncccn2)c1 ZINC000019712380 1399336110 /nfs/dbraw/zinc/33/61/10/1399336110.db2.gz GCHCZTRSYRPKJY-UXHICEINSA-N 0 0 393.491 3.226 40 0 GGABRN CCc1noc(CC)c1C(=O)N1C[C@@H](c2ccccc2)[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712641 1399336388 /nfs/dbraw/zinc/33/63/88/1399336388.db2.gz LHIXLFFRWVOPGY-CECAUBDESA-N 0 0 395.503 3.466 40 0 GGABRN Cc1noc(C)c1C(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712815 1399336837 /nfs/dbraw/zinc/33/68/37/1399336837.db2.gz ITKHDZFRIGILSZ-QKLQHJQFSA-N 0 0 385.439 3.098 40 0 GGABRN CC(C)c1nccn1CC(=O)N1[C@@H](c2ccccc2F)C[C@@H]2NC(=O)CCC[C@H]21 ZINC000019713816 1399337345 /nfs/dbraw/zinc/33/73/45/1399337345.db2.gz RRNIFPVLAUZLCW-IPMKNSEASA-N 0 0 398.482 3.157 40 0 GGABRN NC(=O)c1cc([C@@H]2CN(Cc3ccnc4ccccc34)CCO2)nc2ccccc21 ZINC000019759617 1399337807 /nfs/dbraw/zinc/33/78/07/1399337807.db2.gz LQSWZFCCNXFTBU-QHCPKHFHSA-N 0 0 398.466 3.455 40 0 GGABRN Cc1nc([C@H]2CCN(C(=O)c3ccccn3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019766033 1399337851 /nfs/dbraw/zinc/33/78/51/1399337851.db2.gz SSHZMIZLHYDJJK-INIZCTEOSA-N 0 0 387.443 3.062 40 0 GGABRN CCC(=O)N1CCC(c2ncc(C(=O)Nc3ccccc3OC)c(C)n2)CC1 ZINC000019764033 1399337890 /nfs/dbraw/zinc/33/78/90/1399337890.db2.gz PSENEDLCVZVHTC-UHFFFAOYSA-N 0 0 382.464 3.162 40 0 GGABRN COCC(=O)N1CCC[C@H]1c1cc(C(F)(F)F)c2c(NC(C)C)n[nH]c2n1 ZINC000019742553 1399337996 /nfs/dbraw/zinc/33/79/96/1399337996.db2.gz VDDBIBQZPYQPPA-LBPRGKRZSA-N 0 0 385.390 3.107 40 0 GGABRN COCCC(=O)N1CCC[C@H]1c1cc(C(F)(F)F)c2c(NC(C)C)n[nH]c2n1 ZINC000019742567 1399338263 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COc1ccc(OC)c2[nH]c(=O)c(CNc3ccc(Cn4ccnc4)cc3)cc12 ZINC000019552912 210261701 /nfs/dbraw/zinc/26/17/01/210261701.db2.gz PGSMQHDEWNFFKH-UHFFFAOYSA-N 0 0 390.443 3.402 40 0 GGABRN COc1cc2cc(N)c([C@H]3CCCN(C(=O)c4ccccn4)C3)nc2cc1OC ZINC000019550970 210261732 /nfs/dbraw/zinc/26/17/32/210261732.db2.gz MKXMBKYKFJGAHA-AWEZNQCLSA-N 0 0 392.459 3.249 40 0 GGABRN COc1ccc(C2(C(=O)NCc3nc(-c4cccnc4)n[nH]3)CCCC2)cc1 ZINC000019553753 210261458 /nfs/dbraw/zinc/26/14/58/210261458.db2.gz OCJTVXNPJHPDEM-UHFFFAOYSA-N 0 0 377.448 3.004 40 0 GGABRN COc1ccc(C(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccncc2)c(OC)c1 ZINC000019551926 210261508 /nfs/dbraw/zinc/26/15/08/210261508.db2.gz GFFJJJOXPXKGKK-SFHVURJKSA-N 0 0 378.432 3.466 40 0 GGABRN COc1ccc(CCCNC(=O)[C@H]2CCCN2c2ncnc3ccccc32)cc1 ZINC000019554660 210261555 /nfs/dbraw/zinc/26/15/55/210261555.db2.gz GLCVEUONEKRGDK-OAQYLSRUSA-N 0 0 390.487 3.356 40 0 GGABRN Cc1c(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cnn1C(F)F ZINC000019553062 210261185 /nfs/dbraw/zinc/26/11/85/210261185.db2.gz GWWUGZKCODZCHI-GFCCVEGCSA-N 0 0 395.435 3.031 40 0 GGABRN COc1cc2cc(CNc3ccccc3-n3ccnc3)c(=O)[nH]c2cc1OC ZINC000019550954 210261277 /nfs/dbraw/zinc/26/12/77/210261277.db2.gz UDFLFIYMTHSICS-UHFFFAOYSA-N 0 0 376.416 3.343 40 0 GGABRN COc1ccc(C(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccncc2)c(OC)c1 ZINC000019551924 210261292 /nfs/dbraw/zinc/26/12/92/210261292.db2.gz GFFJJJOXPXKGKK-GOSISDBHSA-N 0 0 378.432 3.466 40 0 GGABRN Cc1c(-c2cc(C(=O)N3CCC[C@@H](COc4ccc(F)cc4)C3)no2)cnn1C ZINC000019554042 210261329 /nfs/dbraw/zinc/26/13/29/210261329.db2.gz LAEKEKMDETZAHV-OAHLLOKOSA-N 0 0 398.438 3.454 40 0 GGABRN COc1ccc(CCCNC(=O)C23C[C@H]4C[C@@H](C2)CC(n2cncn2)(C4)C3)cc1 ZINC000019554652 210261008 /nfs/dbraw/zinc/26/10/08/210261008.db2.gz FGZNABZCBPVMNT-MGAZVUHYSA-N 0 0 394.519 3.331 40 0 GGABRN COc1cc2cc(N)c([C@@H]3CCCN(C(=O)c4ccncc4)C3)nc2cc1OC ZINC000019550976 210260509 /nfs/dbraw/zinc/26/05/09/210260509.db2.gz DGPIDRGGSGMPTG-OAHLLOKOSA-N 0 0 392.459 3.249 40 0 GGABRN COc1ccc(CN2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)c(OC)c1 ZINC000019552177 210260540 /nfs/dbraw/zinc/26/05/40/210260540.db2.gz AHDLOTXDWBKNME-OXJNMPFZSA-N 0 0 380.492 3.356 40 0 GGABRN COc1cc(C(=O)N2C(c3cccnc3)=N[C@@H]3CCCC[C@@H]32)cc(OC)c1OC ZINC000019549479 210259982 /nfs/dbraw/zinc/25/99/82/210259982.db2.gz MFQXATZOALXCAD-SJORKVTESA-N 0 0 395.459 3.321 40 0 GGABRN CCOc1cc(CCC(=O)N2CCc3onc(-c4ccccc4F)c3C2)on1 ZINC000019532364 210259374 /nfs/dbraw/zinc/25/93/74/210259374.db2.gz FDJLFHQDZKDZFV-UHFFFAOYSA-N 0 0 385.395 3.385 40 0 GGABRN CCOCc1ccc(C(=O)N2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)cc1 ZINC000019531221 210258717 /nfs/dbraw/zinc/25/87/17/210258717.db2.gz MRLCVZMMYDVCFZ-UHFFFAOYSA-N 0 0 391.471 3.479 40 0 GGABRN CCNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)COC)C1 ZINC000019528890 210258747 /nfs/dbraw/zinc/25/87/47/210258747.db2.gz DCPGGNCRXJGZKK-XMMPIXPASA-N 0 0 394.515 3.206 40 0 GGABRN CCOC(=O)[C@@H]1CCCN(c2c(C)c(C)nc3cc(-c4cc(C)on4)nn32)C1 ZINC000019530359 210258619 /nfs/dbraw/zinc/25/86/19/210258619.db2.gz QTOFGVHDHGPEDD-OAHLLOKOSA-N 0 0 383.452 3.089 40 0 GGABRN CCOC(=O)[C@H]1CCCN(c2c(C)c(C)nc3cc(-c4cc(C)on4)nn32)C1 ZINC000019530361 210258682 /nfs/dbraw/zinc/25/86/82/210258682.db2.gz QTOFGVHDHGPEDD-HNNXBMFYSA-N 0 0 383.452 3.089 40 0 GGABRN CCOc1ccc(CN2CCc3nc([C@H]4CCCN(C(C)=O)C4)ncc3C2)cc1 ZINC000019533362 210258380 /nfs/dbraw/zinc/25/83/80/210258380.db2.gz GTZREDWHXCAHOI-IBGZPJMESA-N 0 0 394.519 3.160 40 0 GGABRN CCOC(=O)c1cc(Cl)cnc1C1CCN(C(=O)c2n[nH]cc2Cl)CC1 ZINC000019530734 210258395 /nfs/dbraw/zinc/25/83/95/210258395.db2.gz DESMQXUSCRVXKV-UHFFFAOYSA-N 0 0 397.262 3.308 40 0 GGABRN CCOC(=O)c1sc2nc3n(c(=O)c2c1C)CCN(Cc1ccccc1)CC3 ZINC000019530685 210258538 /nfs/dbraw/zinc/25/85/38/210258538.db2.gz NQBOFJXNERILRX-UHFFFAOYSA-N 0 0 397.500 3.001 40 0 GGABRN CCOc1cc(CCC(=O)N2CCCC[C@@H]2c2ccnc3cc(C)nn32)on1 ZINC000019532350 210257867 /nfs/dbraw/zinc/25/78/67/210257867.db2.gz MYBYGYWDZYMUBX-MRXNPFEDSA-N 0 0 383.452 3.111 40 0 GGABRN CCN1CCN(C(=O)C2CCC2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019527534 210257704 /nfs/dbraw/zinc/25/77/04/210257704.db2.gz OTXVXBCEXSVVDM-JOCHJYFZSA-N 0 0 391.515 3.398 40 0 GGABRN CCn1nc(C)c([C@H](C)NC(=O)CCc2nc3ccccc3nc2OC)c1C ZINC000019523746 210257266 /nfs/dbraw/zinc/25/72/66/210257266.db2.gz VSBHUYIELJEHSG-ZDUSSCGKSA-N 0 0 381.480 3.282 40 0 GGABRN CCn1nc2c(c1C(=O)N[C@H](c1nccn1C)c1cccc(OC)c1)CCCC2 ZINC000019524103 210257055 /nfs/dbraw/zinc/25/70/55/210257055.db2.gz KZRBKJYIECVIPX-IBGZPJMESA-N 0 0 393.491 3.043 40 0 GGABRN CCc1cc(C(=O)N2CCC[C@@H]2c2nc(C)c(Cc3ccccc3)c(=O)[nH]2)no1 ZINC000019522641 210257112 /nfs/dbraw/zinc/25/71/12/210257112.db2.gz QCDFCPBBTZEEPF-LJQANCHMSA-N 0 0 392.459 3.197 40 0 GGABRN CCn1cc(CN2CCN(C(=O)c3ccc4c(c3)ncn4C(C)C)CC2)c(C)n1 ZINC000019524577 210257133 /nfs/dbraw/zinc/25/71/33/210257133.db2.gz AKIFFLJUNVOFGX-UHFFFAOYSA-N 0 0 394.523 3.100 40 0 GGABRN CCn1nc(C)c(-c2cc(C(=O)NCCCc3ccc(OC)cc3)[nH]n2)c1C ZINC000019523864 210256852 /nfs/dbraw/zinc/25/68/52/210256852.db2.gz TVYCLWVCRFGYAU-UHFFFAOYSA-N 0 0 381.480 3.281 40 0 GGABRN CCc1nnc(NC(=O)C2CCN(c3nc4ccccc4n3CC)CC2)s1 ZINC000019523670 210256897 /nfs/dbraw/zinc/25/68/97/210256897.db2.gz NCIHLVQKCVJQOE-UHFFFAOYSA-N 0 0 384.509 3.325 40 0 GGABRN CCc1nc2ccccc2n1CC(=O)N[C@H](C)Cn1nnc2cc(C)c(C)cc21 ZINC000019523264 210256988 /nfs/dbraw/zinc/25/69/88/210256988.db2.gz RPOAGBBABLZMGE-MRXNPFEDSA-N 0 0 390.491 3.165 40 0 GGABRN CCc1nccn1CCC(=O)N1CCc2onc(Nc3ccccc3F)c2C1 ZINC000019523642 210256764 /nfs/dbraw/zinc/25/67/64/210256764.db2.gz RWHYDGJTLFZRBX-UHFFFAOYSA-N 0 0 383.427 3.291 40 0 GGABRN CCc1cc(C(=O)N2CCC(c3nnc(-c4cnc(C)cn4)o3)CC2)cs1 ZINC000019522118 210256544 /nfs/dbraw/zinc/25/65/44/210256544.db2.gz YEJCAKMCYWZOSL-UHFFFAOYSA-N 0 0 383.477 3.479 40 0 GGABRN CCn1nc2c(c1C(=O)N[C@@H](c1nccn1C)c1cccc(OC)c1)CCCC2 ZINC000019524104 210256591 /nfs/dbraw/zinc/25/65/91/210256591.db2.gz KZRBKJYIECVIPX-LJQANCHMSA-N 0 0 393.491 3.043 40 0 GGABRN CCCn1cnc2sc(C(=O)NCCc3ccc(OC)c(C)c3)c(C)c2c1=O ZINC000019526128 210255792 /nfs/dbraw/zinc/25/57/92/210255792.db2.gz MGXUQCSZMGNOSY-UHFFFAOYSA-N 0 0 399.516 3.466 40 0 GGABRN CCCC(=O)N1CC[C@](Cc2ccc(-c3cccnc3)cc2)(C(=O)NCC)C1 ZINC000019501025 210255555 /nfs/dbraw/zinc/25/55/55/210255555.db2.gz FOXWECQFKCLYPA-HSZRJFAPSA-N 0 0 379.504 3.446 40 0 GGABRN CCOc1ccccc1C(=O)N[C@@H](Cc1cc(=O)[nH]c(C)n1)c1ccc(F)cc1 ZINC000019520148 210255482 /nfs/dbraw/zinc/25/54/82/210255482.db2.gz LIWZJTBFERQQRM-IBGZPJMESA-N 0 0 395.434 3.330 40 0 GGABRN CCOc1ccc(C(=O)Cn2nc(-c3cccs3)cc(N)c2=O)cc1OCC ZINC000019519863 210255225 /nfs/dbraw/zinc/25/52/25/210255225.db2.gz PNOJHTRDTZSCDE-UHFFFAOYSA-N 0 0 399.472 3.234 40 0 GGABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3ccn(C)n3)cc2N1 ZINC000019520752 210255240 /nfs/dbraw/zinc/25/52/40/210255240.db2.gz MTAQBJODWTUFII-KCPJHIHWSA-N 0 0 396.417 3.292 40 0 GGABRN CC[C@H](c1ccc(F)cc1)n1cc(C(=O)N(C)Cc2c(C)nn(C)c2C)nn1 ZINC000019500434 210254983 /nfs/dbraw/zinc/25/49/83/210254983.db2.gz SFIIXIOTZOUBBZ-LJQANCHMSA-N 0 0 384.459 3.039 40 0 GGABRN CCOc1ccccc1C(=O)N[C@@H](Cc1cc(=O)[nH]c(C)n1)c1ccccc1 ZINC000019520150 210255110 /nfs/dbraw/zinc/25/51/10/210255110.db2.gz KABGNKBTMLEVSU-IBGZPJMESA-N 0 0 377.444 3.191 40 0 GGABRN CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](C(C)C)CC3 ZINC000019499891 210254784 /nfs/dbraw/zinc/25/47/84/210254784.db2.gz RBJHZSBWJHLSHB-KXBFYZLASA-N 0 0 399.539 3.301 40 0 GGABRN CCC[C@H](C(=O)N1CCC[C@H](C(=O)N2CCCCCC2)C1)n1nc(C)cc1C ZINC000019501785 210254703 /nfs/dbraw/zinc/25/47/03/210254703.db2.gz BYBMOMAHVFWSPM-VQTJNVASSA-N 0 0 388.556 3.482 40 0 GGABRN CC[C@@H](C(=O)N1CCC[C@]2(C1)CNC(=O)c1ccccc1O2)c1ccccc1 ZINC000019500549 210254480 /nfs/dbraw/zinc/25/44/80/210254480.db2.gz NETNWTKJPPZCMN-WZONZLPQSA-N 0 0 378.472 3.364 40 0 GGABRN CCCN1CCN(C(=O)CC)C[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O ZINC000019503113 210254499 /nfs/dbraw/zinc/25/44/99/210254499.db2.gz WKPLRMRSLSYIHH-OAQYLSRUSA-N 0 0 379.504 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210239892 /nfs/dbraw/zinc/23/98/92/210239892.db2.gz GADJEOYUXFBDQN-JTQLQIEISA-N 0 0 397.428 3.255 40 0 GGABRN O=C(C1[C@@H]2CCCC[C@H]12)N1C[C@@H](c2ccc(F)c(F)c2)[C@]2(C1)CCCC(=O)N2 ZINC000019293146 210239938 /nfs/dbraw/zinc/23/99/38/210239938.db2.gz LRPHZRCMKWKHRB-MYSRICSJSA-N 0 0 388.458 3.366 40 0 GGABRN O=C(Cc1ccc(F)c(F)c1)NCCn1cc(-c2ccncc2)c(C2CC2)n1 ZINC000019292818 210239984 /nfs/dbraw/zinc/23/99/84/210239984.db2.gz ABWDNEPMUYBLAW-UHFFFAOYSA-N 0 0 382.414 3.460 40 0 GGABRN CCc1cccc2c(/C=C3\SC(=O)N(CC(C)C)C3=O)cn(CC(N)=O)c21 ZINC000409135198 529548971 /nfs/dbraw/zinc/54/89/71/529548971.db2.gz XORFLUVZRODFRC-PXNMLYILSA-N 0 0 385.489 3.381 40 0 GGABRN O=S(=O)(Cc1cccc(F)c1)NCc1noc(-c2ccc(Cl)cc2)n1 ZINC000019293948 210239063 /nfs/dbraw/zinc/23/90/63/210239063.db2.gz IVNQRCBLYAVMSK-UHFFFAOYSA-N 0 0 381.816 3.149 40 0 GGABRN Fc1cccc(-n2cccc2CN(CCN2CCOCC2)Cc2cccnc2)c1 ZINC000019294368 210239093 /nfs/dbraw/zinc/23/90/93/210239093.db2.gz KIFDKAIWTZXBGG-UHFFFAOYSA-N 0 0 394.494 3.346 40 0 GGABRN COc1cccc(-c2cnc(NC[C@H]3CCCOC3)nc2-c2nccn2C)c1 ZINC000019291628 210238680 /nfs/dbraw/zinc/23/86/80/210238680.db2.gz NFUSYSHKNJPRRP-OAHLLOKOSA-N 0 0 379.464 3.391 40 0 GGABRN Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccnn3C(F)F)ccc21 ZINC000019289833 210238462 /nfs/dbraw/zinc/23/84/62/210238462.db2.gz YWTMOUDAIMEXOT-UHFFFAOYSA-N 0 0 388.422 3.403 40 0 GGABRN Cc1nc2ccccc2n1C[C@H](C)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000019286752 210237931 /nfs/dbraw/zinc/23/79/31/210237931.db2.gz CZACIVPGRHOPBY-QWHCGFSZSA-N 0 0 378.432 3.339 40 0 GGABRN Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CCN(Cc2ccccc2F)CC1 ZINC000019291280 210237669 /nfs/dbraw/zinc/23/76/69/210237669.db2.gz SEZFZJVMOGOHSW-NRFANRHFSA-N 0 0 398.457 3.102 40 0 GGABRN COc1cccc(Nc2noc3c2CN(C(=O)[C@H](C)Cn2ccnc2C)CC3)c1 ZINC000019287714 210237294 /nfs/dbraw/zinc/23/72/94/210237294.db2.gz POZHWAYTWUFMMT-CQSZACIVSA-N 0 0 395.463 3.153 40 0 GGABRN COc1ccc2c(c1)C[C@H](C1CCOCC1)N(C(=O)c1cc(C3CC3)nn1C)C2 ZINC000019288848 210237188 /nfs/dbraw/zinc/23/71/88/210237188.db2.gz ZAHLKTMOTRUJCG-OAQYLSRUSA-N 0 0 395.503 3.300 40 0 GGABRN CCc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000408553228 529599620 /nfs/dbraw/zinc/59/96/20/529599620.db2.gz PEIHITRGYFATLZ-LBPRGKRZSA-N 0 0 396.896 3.217 40 0 GGABRN COc1ccccc1C(=O)N[C@@H](Cc1cc(=O)[nH]c(C)n1)c1ccc(Cl)cc1 ZINC000019285330 210236192 /nfs/dbraw/zinc/23/61/92/210236192.db2.gz NFBONGXXGZOFPU-SFHVURJKSA-N 0 0 397.862 3.454 40 0 GGABRN Cc1nc(C)n([C@@H](C)CC(=O)N2CCC[C@H](c3nc(C)n4ccsc34)C2)n1 ZINC000019285647 210236322 /nfs/dbraw/zinc/23/63/22/210236322.db2.gz KEOIYNKAYKAOKW-LRDDRELGSA-N 0 0 386.525 3.270 40 0 GGABRN Cc1ccccc1CC(=O)N[C@@H](c1cc(=O)[nH]c(-c2cccnc2)n1)C(C)C ZINC000019237108 210236089 /nfs/dbraw/zinc/23/60/89/210236089.db2.gz CQFTZSHGSVEEHE-OAQYLSRUSA-N 0 0 376.460 3.196 40 0 GGABRN Cc1nc(C)n([C@H](C)CC(=O)N2CCC[C@H](c3nc(C)n4ccsc34)C2)n1 ZINC000019285648 210235934 /nfs/dbraw/zinc/23/59/34/210235934.db2.gz KEOIYNKAYKAOKW-WBMJQRKESA-N 0 0 386.525 3.270 40 0 GGABRN Cc1csc([C@@H](Cc2ccsc2)NC(=O)CCCN2CCCC2=O)n1 ZINC000019240160 210235579 /nfs/dbraw/zinc/23/55/79/210235579.db2.gz BNCHNFXNIDVSEE-OAHLLOKOSA-N 0 0 377.535 3.316 40 0 GGABRN Cc1cnccc1-c1cnn(CCNC(=O)c2cnn(C(C)C)c2)c1C1CC1 ZINC000019239881 210235602 /nfs/dbraw/zinc/23/56/02/210235602.db2.gz RHJRJAVRUFBNAL-UHFFFAOYSA-N 0 0 378.480 3.338 40 0 GGABRN Cc1cnccc1C(=O)N[C@@H](Cc1cc(=O)[nH]c(C(C)C)n1)c1ccccc1 ZINC000019239495 210235336 /nfs/dbraw/zinc/23/53/36/210235336.db2.gz BOZWUXWQUOBOGG-IBGZPJMESA-N 0 0 376.460 3.311 40 0 GGABRN COc1cccc(C(=O)N[C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)c1 ZINC000019285329 210235137 /nfs/dbraw/zinc/23/51/37/210235137.db2.gz IGTYWKGKRSIGKF-LJQANCHMSA-N 0 0 397.862 3.454 40 0 GGABRN Cc1cnc(C(=O)N[C@H]2CCCc3c2cnn3Cc2cccc(Cl)c2)cn1 ZINC000019238986 210235171 /nfs/dbraw/zinc/23/51/71/210235171.db2.gz LIFPUCGVBPDWMK-KRWDZBQOSA-N 0 0 381.867 3.491 40 0 GGABRN Cc1cnn(CC(=O)N2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c1 ZINC000019239912 210235176 /nfs/dbraw/zinc/23/51/76/210235176.db2.gz ROFOQDSYUDTNJM-VHDGCEQUSA-N 0 0 396.417 3.059 40 0 GGABRN Cc1ccccc1CNc1nc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(=O)[nH]1 ZINC000019237280 210234997 /nfs/dbraw/zinc/23/49/97/210234997.db2.gz CWLAOIRBQCRAQO-INIZCTEOSA-N 0 0 392.434 3.350 40 0 GGABRN Cc1cccnc1CN(Cc1ccccc1)C(=O)c1cnc(N(C)C)nc1C ZINC000019237779 210235076 /nfs/dbraw/zinc/23/50/76/210235076.db2.gz VQQKUMSDFLLOGV-UHFFFAOYSA-N 0 0 375.476 3.397 40 0 GGABRN Cc1noc(-c2cnc(C)nc2[C@@H]2CCCN2C(=O)c2cnc(C)cn2)c1C ZINC000019238886 210234657 /nfs/dbraw/zinc/23/46/57/210234657.db2.gz XMUNQXYXDNJGNO-KRWDZBQOSA-N 0 0 378.436 3.133 40 0 GGABRN Cc1nc(C2CCN(C(=O)c3cnc(C)cn3)CC2)sc1-c1ccncn1 ZINC000019238843 210234680 /nfs/dbraw/zinc/23/46/80/210234680.db2.gz AJDLKJFHZFINLE-UHFFFAOYSA-N 0 0 380.477 3.027 40 0 GGABRN Cc1nc(C)n(CCC(=O)N2CCc3onc(Nc4c(C)cccc4C)c3C2)n1 ZINC000019235776 210234222 /nfs/dbraw/zinc/23/42/22/210234222.db2.gz LJMNWNFSOLDZCB-UHFFFAOYSA-N 0 0 394.479 3.218 40 0 GGABRN COc1ccc(-c2nnc(NC(=O)c3cn4cc(C)ccc4n3)s2)cc1OC ZINC000019234364 210234269 /nfs/dbraw/zinc/23/42/69/210234269.db2.gz VOAGWASZDRFWNG-UHFFFAOYSA-N 0 0 395.444 3.431 40 0 GGABRN Cc1nc2ccc(Cl)cn2c1C(=O)N1CCCN(Cc2cccc(C)n2)CC1 ZINC000019236273 210233843 /nfs/dbraw/zinc/23/38/43/210233843.db2.gz NPRZEPQMWCIOLA-UHFFFAOYSA-N 0 0 397.910 3.348 40 0 GGABRN Cc1cccc(OCCCN2CCN(C(=O)c3ccnn3C(F)F)CC2)c1C ZINC000019235726 210233856 /nfs/dbraw/zinc/23/38/56/210233856.db2.gz SNCXKVJHPFMQHD-UHFFFAOYSA-N 0 0 392.450 3.122 40 0 GGABRN COc1c(C)cccc1CN1CCCC[C@@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019235987 210233796 /nfs/dbraw/zinc/23/37/96/210233796.db2.gz BCTFEHLOXSHJIC-OAQYLSRUSA-N 0 0 394.519 3.425 40 0 GGABRN Cc1cccc([C@H](Cc2cc(N(C)C)nc(C3CC3)n2)NC(=O)c2ncc[nH]2)c1 ZINC000019234455 210233448 /nfs/dbraw/zinc/23/34/48/210233448.db2.gz IORKPRQZVCLDRD-SFHVURJKSA-N 0 0 390.491 3.165 40 0 GGABRN CC(=O)N1CCc2nc([C@H]3CCCN3CCOc3c(C)cccc3C)ncc2C1 ZINC000019236082 210233588 /nfs/dbraw/zinc/23/35/88/210233588.db2.gz OCXARIMSBJXFQO-OAQYLSRUSA-N 0 0 394.519 3.214 40 0 GGABRN Cc1c(-c2cccc(C)c2)nn2c1[nH]c(Cn1c3ccccc3n(C)c1=O)cc2=O ZINC000019235276 210233603 /nfs/dbraw/zinc/23/36/03/210233603.db2.gz PBLGZWWGNIXWJJ-UHFFFAOYSA-N 0 0 399.454 3.420 40 0 GGABRN Cc1cccc(CC(=O)N[C@H](c2cc(=O)[nH]c(-c3cccnc3)n2)C(C)C)c1 ZINC000019234848 210233405 /nfs/dbraw/zinc/23/34/05/210233405.db2.gz FJRWZSUGTWKRJN-NRFANRHFSA-N 0 0 376.460 3.196 40 0 GGABRN CNc1cc(C[C@H](NC(=O)c2ncc[nH]2)c2cccc(C)c2)nc(C2CC2)n1 ZINC000019234486 210232298 /nfs/dbraw/zinc/23/22/98/210232298.db2.gz UQOFYYLVYYCZQZ-KRWDZBQOSA-N 0 0 376.464 3.141 40 0 GGABRN Cc1nc(C)n(CCC(=O)N2CCc3onc(Nc4cccc(C)c4C)c3C2)n1 ZINC000019235659 210232530 /nfs/dbraw/zinc/23/25/30/210232530.db2.gz NVPDJOMNCIYOIQ-UHFFFAOYSA-N 0 0 394.479 3.218 40 0 GGABRN CCc1ccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)cc1 ZINC000408593929 529688779 /nfs/dbraw/zinc/68/87/79/529688779.db2.gz QQJJGMOJMQCXDW-OAHLLOKOSA-N 0 0 390.505 3.342 40 0 GGABRN Cc1[nH]c2cc(C)ccc2c1CN1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 ZINC000019219648 210231754 /nfs/dbraw/zinc/23/17/54/210231754.db2.gz MZJFPHXXKICXQB-UHFFFAOYSA-N 0 0 385.471 3.488 40 0 GGABRN Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2CCNC(=O)c1ccccn1 ZINC000019219983 210231559 /nfs/dbraw/zinc/23/15/59/210231559.db2.gz CSVHOSAOYURTOY-UHFFFAOYSA-N 0 0 375.350 3.154 40 0 GGABRN Cc1ccc(-c2ccccc2C[C@@H]2CN(C(=O)c3ccccn3)CCNC2=O)cc1 ZINC000019212912 210230720 /nfs/dbraw/zinc/23/07/20/210230720.db2.gz AMBGHJMKKAHMRV-OAQYLSRUSA-N 0 0 399.494 3.488 40 0 GGABRN Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cc1C ZINC000019213682 210230864 /nfs/dbraw/zinc/23/08/64/210230864.db2.gz CZIMLLCHPSCYJG-FPOVZHCZSA-N 0 0 377.488 3.411 40 0 GGABRN CC(=O)N1CCO[C@](Cc2cccc(-c3ccc(C)cc3)c2)(C(=O)NC2CC2)C1 ZINC000019212631 210230563 /nfs/dbraw/zinc/23/05/63/210230563.db2.gz NGCZAETXODVLTQ-DEOSSOPVSA-N 0 0 392.499 3.101 40 0 GGABRN Cc1ccc2[nH]c([C@@H]3CCCCN3C(=O)c3cccc(-n4cnnn4)c3)nc2c1 ZINC000019221498 210230395 /nfs/dbraw/zinc/23/03/95/210230395.db2.gz DHNAAKMJNRNTFK-IBGZPJMESA-N 0 0 387.447 3.214 40 0 GGABRN COc1cccc(CN2CCN(C(=O)c3nc4cc(C)ccc4[nH]3)[C@H](C)C2)c1 ZINC000019219664 210230447 /nfs/dbraw/zinc/23/04/47/210230447.db2.gz WNGDTVJRSVSUJK-MRXNPFEDSA-N 0 0 378.476 3.226 40 0 GGABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccccc3OCC(=O)OC)S2)cc1 ZINC000408786850 529689543 /nfs/dbraw/zinc/68/95/43/529689543.db2.gz OOTNAYKEVYKMKA-SARUNTBLSA-N 0 0 398.484 3.400 40 0 GGABRN CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)[C@@H](C)c1ccc(C)cc1)C2 ZINC000019136174 210229516 /nfs/dbraw/zinc/22/95/16/210229516.db2.gz BNYTUJAETNSFDA-KKSFZXQISA-N 0 0 392.503 3.157 40 0 GGABRN CCOc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4)N4CCCN4[C@]3(C)C2=O)cc1 ZINC000019169691 210229275 /nfs/dbraw/zinc/22/92/75/210229275.db2.gz HXJIDWIDNARNRH-QTEQDKRBSA-N 0 0 391.471 3.011 40 0 GGABRN Cc1cc(C)c(N2C(=O)[C@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccccc2)c(C)c1 ZINC000019169595 210228888 /nfs/dbraw/zinc/22/88/88/210228888.db2.gz YJSFSCDGKNCDTQ-NRSPTQNISA-N 0 0 375.472 3.147 40 0 GGABRN CCc1ccc(OCc2nnc(SCC(=O)NC3CCCCC3)n2C)cc1 ZINC000006168821 529695364 /nfs/dbraw/zinc/69/53/64/529695364.db2.gz VFOFAQFXCCBIHC-UHFFFAOYSA-N 0 0 388.537 3.498 40 0 GGABRN Cc1csc2ncc(C(=O)NCCOc3cc(C)ccc3C(C)C)c(=O)n12 ZINC000019134407 210227914 /nfs/dbraw/zinc/22/79/14/210227914.db2.gz DSIXGODQDVDZHS-UHFFFAOYSA-N 0 0 385.489 3.305 40 0 GGABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)c3scnc3C)CC1)N2 ZINC000019128871 210227705 /nfs/dbraw/zinc/22/77/05/210227705.db2.gz HPODOYBVCSQYRP-UONOGXRCSA-N 0 0 395.479 3.499 40 0 GGABRN Cc1cc2[nH]c(C[C@@H](NC(=O)c3ccncc3C)c3ccccc3)cc(=O)n2n1 ZINC000019130050 210227278 /nfs/dbraw/zinc/22/72/78/210227278.db2.gz PLACCXGGLFWWLC-LJQANCHMSA-N 0 0 387.443 3.161 40 0 GGABRN Cc1cc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)c2ccncc2)on1 ZINC000019121973 210227199 /nfs/dbraw/zinc/22/71/99/210227199.db2.gz CCQIXEICXCIMCR-KRWDZBQOSA-N 0 0 392.463 3.268 40 0 GGABRN Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)c2ccccc2)on1 ZINC000019122502 210226915 /nfs/dbraw/zinc/22/69/15/210226915.db2.gz UBMHHQYOHDIERP-QGZVFWFLSA-N 0 0 377.448 3.483 40 0 GGABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)CCc3ccno3)C1)N2 ZINC000019127826 210226998 /nfs/dbraw/zinc/22/69/98/210226998.db2.gz USBRYVVNDVAIGT-CWRNSKLLSA-N 0 0 393.438 3.041 40 0 GGABRN Cc1nc2ccccc2n1[C@H](C)C(=O)Nc1cc2c(cc1C)n(C)c(=O)n2C ZINC000019125840 210227041 /nfs/dbraw/zinc/22/70/41/210227041.db2.gz YXTRJBIVMOZLAN-CYBMUJFWSA-N 0 0 377.448 3.043 40 0 GGABRN Cc1cc(C)n(CCC(=O)Nc2nc3cc(Cl)c(C)cc3s2)c(=O)n1 ZINC000019125799 210226818 /nfs/dbraw/zinc/22/68/18/210226818.db2.gz CXZJBRWWOXAUJY-UHFFFAOYSA-N 0 0 376.869 3.460 40 0 GGABRN COc1ccc(CC(=O)N2CCC[C@@H]2c2[nH]ncc2-c2cc(C)no2)cc1OC ZINC000019121007 210226868 /nfs/dbraw/zinc/22/68/68/210226868.db2.gz SJDIAMPNBHNHHJ-MRXNPFEDSA-N 0 0 396.447 3.297 40 0 GGABRN Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)c2cccnc2)on1 ZINC000019121970 210226532 /nfs/dbraw/zinc/22/65/32/210226532.db2.gz ZOYDXDYBOUGWOL-QGZVFWFLSA-N 0 0 392.463 3.268 40 0 GGABRN CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)[C@@H](C)c3ccc(C)cc3)ncc2C1 ZINC000019136025 210226601 /nfs/dbraw/zinc/22/66/01/210226601.db2.gz GEOHIAFDSSDAMJ-HRAATJIYSA-N 0 0 392.503 3.157 40 0 GGABRN Cc1cc2nccc([C@H]3CCCCN3C(=O)CCc3cc(OC(C)C)no3)n2n1 ZINC000019130556 210226624 /nfs/dbraw/zinc/22/66/24/210226624.db2.gz ITCZSVJZSBCICQ-QGZVFWFLSA-N 0 0 397.479 3.499 40 0 GGABRN Cc1cc(-c2cnc(N3CCCC3)nc2[C@H]2CCCN(c3ncccn3)C2)on1 ZINC000019122272 210226662 /nfs/dbraw/zinc/22/66/62/210226662.db2.gz GZSSZIHWZZHWIY-INIZCTEOSA-N 0 0 391.479 3.214 40 0 GGABRN CC(C)C(=O)N[C@@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccc(F)cc1 ZINC000019086145 210226042 /nfs/dbraw/zinc/22/60/42/210226042.db2.gz RQCMMZIKPYYDBS-SFHVURJKSA-N 0 0 380.423 3.439 40 0 GGABRN Cc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)[C@H](C)n3cncn3)C2)n1 ZINC000019117613 210226065 /nfs/dbraw/zinc/22/60/65/210226065.db2.gz HMADKLBMSUPDAB-GJZGRUSLSA-N 0 0 382.493 3.072 40 0 GGABRN Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCc4ncc(Cl)cc4C3)cc2n1 ZINC000019116631 210225603 /nfs/dbraw/zinc/22/56/03/210225603.db2.gz ZQWIEXJZJORZQH-UHFFFAOYSA-N 0 0 395.772 3.303 40 0 GGABRN CC(C)(C)c1ncc(C(=O)N2CCC[C@@H](c3cc4cccnc4c(=O)[nH]3)C2)cn1 ZINC000019084777 210225312 /nfs/dbraw/zinc/22/53/12/210225312.db2.gz FMRAAFQWIWOACA-OAHLLOKOSA-N 0 0 391.475 3.443 40 0 GGABRN CC(C)(C)c1nnc(NC(=O)CN2CCC(Oc3ccccc3F)CC2)s1 ZINC000019084816 210224956 /nfs/dbraw/zinc/22/49/56/210224956.db2.gz BODLWQYGTVXOET-UHFFFAOYSA-N 0 0 392.500 3.457 40 0 GGABRN Cc1cc(C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)CC2)on1 ZINC000019119700 210224990 /nfs/dbraw/zinc/22/49/90/210224990.db2.gz RZOFPHIKYUTCQN-UONOGXRCSA-N 0 0 379.411 3.031 40 0 GGABRN Cc1cc(C(=O)OCC(=O)Nc2cccc3nsnc32)c2ccccc2n1 ZINC000019077611 210223948 /nfs/dbraw/zinc/22/39/48/210223948.db2.gz NUQJTMXCIQHZRV-UHFFFAOYSA-N 0 0 378.413 3.343 40 0 GGABRN COc1ccc(-n2nnc(C(C)=O)c2NC[C@@H](c2ccccc2F)N(C)C)cc1 ZINC000019023097 210223842 /nfs/dbraw/zinc/22/38/42/210223842.db2.gz QDSKHMPRTKSHDN-IBGZPJMESA-N 0 0 397.454 3.332 40 0 GGABRN CC(=O)Nc1nc(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)cs1 ZINC000019022941 210223747 /nfs/dbraw/zinc/22/37/47/210223747.db2.gz JZGUZLUNMTWDBQ-CYBMUJFWSA-N 0 0 375.450 3.302 40 0 GGABRN O=C(COC(=O)c1ccc2ccccc2c1O)Nc1cccc2nsnc21 ZINC000019080141 210223325 /nfs/dbraw/zinc/22/33/25/210223325.db2.gz PAIQXUOHMLVMDK-UHFFFAOYSA-N 0 0 379.397 3.346 40 0 GGABRN COc1cccc(CN2CCc3nc([C@@H]4CCCCN4C(C)=O)ncc3C2)c1 ZINC000019017409 210222565 /nfs/dbraw/zinc/22/25/65/210222565.db2.gz HJQHJBQLWMTHGZ-NRFANRHFSA-N 0 0 380.492 3.117 40 0 GGABRN COc1ccc(CN2CCc3nc([C@@H]4CCCCN4C(C)=O)ncc3C2)cc1 ZINC000019017405 210222433 /nfs/dbraw/zinc/22/24/33/210222433.db2.gz HXMWOFQFNIFSJP-NRFANRHFSA-N 0 0 380.492 3.117 40 0 GGABRN CC(=O)N1CCCN(c2nnc(-c3cccs3)c(-c3cccs3)n2)CC1 ZINC000019017674 210222150 /nfs/dbraw/zinc/22/21/50/210222150.db2.gz XOOAPWADPJVIPV-UHFFFAOYSA-N 0 0 385.518 3.387 40 0 GGABRN CC(=O)N(C)C1CCC2(CC1)CN(C(=O)c1cccnc1)Cc1ccccc1O2 ZINC000019016284 210222260 /nfs/dbraw/zinc/22/22/60/210222260.db2.gz ZBTIDDWQBHOHBU-UHFFFAOYSA-N 0 0 393.487 3.276 40 0 GGABRN CC(=O)N1CCC(c2ncc3c(n2)CCN(Cc2cccc(Cl)c2)C3)CC1 ZINC000019016875 210222063 /nfs/dbraw/zinc/22/20/63/210222063.db2.gz QDZLMKGHSSUKMK-UHFFFAOYSA-N 0 0 384.911 3.414 40 0 GGABRN C/C(Cl)=C/CNC(=O)C1CCC2(CC1)CN(C)C(=O)c1ccccc1O2 ZINC000019014321 210221985 /nfs/dbraw/zinc/22/19/85/210221985.db2.gz IGVOYSUCMLGJTJ-ZROIWOOFSA-N 0 0 376.884 3.339 40 0 GGABRN CC(=O)N(C)C1CCC2(CC1)CN(C(=O)c1ccccn1)Cc1ccccc1O2 ZINC000019016282 210221600 /nfs/dbraw/zinc/22/16/00/210221600.db2.gz BJJHSWNJDJRNTM-UHFFFAOYSA-N 0 0 393.487 3.276 40 0 GGABRN COc1cccc(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)c1 ZINC000019018286 210221787 /nfs/dbraw/zinc/22/17/87/210221787.db2.gz KKEDRVQGBUINOF-OAQYLSRUSA-N 0 0 380.492 3.117 40 0 GGABRN C=Cc1ccc(Cn2nc3c(cc2=O)CCc2nc(N4CCCCC4)ncc2-3)cc1 ZINC000019016176 210221440 /nfs/dbraw/zinc/22/14/40/210221440.db2.gz RQIRTBSQTCFUIT-UHFFFAOYSA-N 0 0 399.498 3.481 40 0 GGABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)Cc1cccnc1 ZINC000019017503 210221301 /nfs/dbraw/zinc/22/13/01/210221301.db2.gz XFXKZCDGSGXFEE-ZDXQCDESSA-N 0 0 391.515 3.410 40 0 GGABRN CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)c1C ZINC000018490708 210220575 /nfs/dbraw/zinc/22/05/75/210220575.db2.gz CRRWBPXNXZIATE-LBPRGKRZSA-N 0 0 385.395 3.013 40 0 GGABRN Cc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000018832205 210219776 /nfs/dbraw/zinc/21/97/76/210219776.db2.gz PLQVIWYRXVWJLS-UHFFFAOYSA-N 0 0 386.517 3.408 40 0 GGABRN COc1ccc(OCCCC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 ZINC000018217486 210217836 /nfs/dbraw/zinc/21/78/36/210217836.db2.gz YIKXQKKEEWFJAV-UHFFFAOYSA-N 0 0 398.503 3.003 40 0 GGABRN COc1ccc(OC)c([C@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000018204408 210216170 /nfs/dbraw/zinc/21/61/70/210216170.db2.gz MBPZQZHZCKZJGO-LBPRGKRZSA-N 0 0 375.421 3.221 40 0 GGABRN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1F ZINC000018114617 210215235 /nfs/dbraw/zinc/21/52/35/210215235.db2.gz VDYLJJYQKPKDEA-UHFFFAOYSA-N 0 0 392.452 3.261 40 0 GGABRN CCOc1ccccc1NC(=S)NCc1ccccc1CN1CCOCC1 ZINC000018165370 210214651 /nfs/dbraw/zinc/21/46/51/210214651.db2.gz MWZGWUWDSWOXIT-UHFFFAOYSA-N 0 0 385.533 3.404 40 0 GGABRN O=C(c1ccc(-c2ccccc2)cc1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000017909070 210212292 /nfs/dbraw/zinc/21/22/92/210212292.db2.gz VOIOYXIHNMYLPH-UHFFFAOYSA-N 0 0 378.472 3.065 40 0 GGABRN O=C1[C@@H]2[C@H](c3ccccn3)N(c3ccccc3)O[C@@H]2C(=O)N1Cc1ccccc1 ZINC000017729852 210212075 /nfs/dbraw/zinc/21/20/75/210212075.db2.gz OTHFPCWDHZPLEZ-HKBOAZHASA-N 0 0 385.423 3.128 40 0 GGABRN O=C(OCc1nnnn1-c1ccccc1)c1csc(NCc2ccccc2)n1 ZINC000017740918 210211567 /nfs/dbraw/zinc/21/15/67/210211567.db2.gz PIDKJHZADOJNKC-UHFFFAOYSA-N 0 0 392.444 3.088 40 0 GGABRN Cc1ccccc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000017963376 210211396 /nfs/dbraw/zinc/21/13/96/210211396.db2.gz SLKYKLHSUSDOSR-KRWDZBQOSA-N 0 0 386.517 3.273 40 0 GGABRN Cc1nc2c3ccccc3nc(S[C@H]3CC(=O)N(c4ccccc4)C3=O)n2n1 ZINC000017832058 210211032 /nfs/dbraw/zinc/21/10/32/210211032.db2.gz YDVQYWLFSJTJFW-INIZCTEOSA-N 0 0 389.440 3.010 40 0 GGABRN CCN(CC)S(=O)(=O)c1c(C)nn(C(=O)c2cc3c(s2)CCCC3)c1C ZINC000017287723 210208631 /nfs/dbraw/zinc/20/86/31/210208631.db2.gz YWOXHYYNAPRSGI-UHFFFAOYSA-N 0 0 395.550 3.159 40 0 GGABRN COc1ccc(NC(=O)CCCN2C(=O)c3ccc(C)cc3C2=O)cc1OC ZINC000017124314 210205888 /nfs/dbraw/zinc/20/58/88/210205888.db2.gz QDHXPPKPBKXYIE-UHFFFAOYSA-N 0 0 382.416 3.027 40 0 GGABRN O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccc2c(c1)OCO2 ZINC000017043936 210201057 /nfs/dbraw/zinc/20/10/57/210201057.db2.gz QQZGWJNSDSDLHB-UHFFFAOYSA-N 0 0 398.728 3.060 40 0 GGABRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(F)c(F)c1 ZINC000016960653 210199809 /nfs/dbraw/zinc/19/98/09/210199809.db2.gz YZDLONFRANYTGD-UHFFFAOYSA-N 0 0 394.443 3.321 40 0 GGABRN O=C(NC[C@@H]1OCCc2ccccc21)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000016857395 210197963 /nfs/dbraw/zinc/19/79/63/210197963.db2.gz WZIMDHBXEAFJEJ-INIZCTEOSA-N 0 0 378.350 3.074 40 0 GGABRN COc1ccc2cc3c(nc2c1)N(NC(=O)c1cc2ccccc2oc1=O)CC3 ZINC000016778444 210197430 /nfs/dbraw/zinc/19/74/30/210197430.db2.gz QIHIIWYDJABAHE-UHFFFAOYSA-N 0 0 387.395 3.057 40 0 GGABRN COc1ccccc1/C=c1/sc2nc(/C=C/c3ccc(C)cc3)nn2c1=O ZINC000016807428 210197402 /nfs/dbraw/zinc/19/74/02/210197402.db2.gz GNXXCTYCIGDBCH-RZMWGWOTSA-N 0 0 375.453 3.186 40 0 GGABRN O=C(Cn1ncn(-n2cccc2)c1=S)Nc1ccc(OC(F)(F)F)cc1 ZINC000016777920 210196932 /nfs/dbraw/zinc/19/69/32/210196932.db2.gz IJKHKWKTFFRWAB-UHFFFAOYSA-N 0 0 383.355 3.064 40 0 GGABRN COc1ccc(/C=C/c2nc3s/c(=C/c4ccc(F)cc4)c(=O)n3n2)cc1 ZINC000016807442 210196783 /nfs/dbraw/zinc/19/67/83/210196783.db2.gz LVAXANOCBWVTJZ-VFLBTRNGSA-N 0 0 379.416 3.017 40 0 GGABRN Cc1cc(O)c(C(=O)Nc2cccc(Cl)c2)c(=O)n1CCCn1ccnc1 ZINC000016790282 210196019 /nfs/dbraw/zinc/19/60/19/210196019.db2.gz WQKLQXIOZJKMLF-UHFFFAOYSA-N 0 0 386.839 3.055 40 0 GGABRN CC[C@H]1c2ccsc2CCN1C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000016779017 210196145 /nfs/dbraw/zinc/19/61/45/210196145.db2.gz QOKXZQSNNRFKOF-INIZCTEOSA-N 0 0 396.509 3.044 40 0 GGABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2)cc1C ZINC000016692313 210195512 /nfs/dbraw/zinc/19/55/12/210195512.db2.gz HDCIRIDMFRQOMX-UHFFFAOYSA-N 0 0 396.896 3.306 40 0 GGABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000016691875 210195295 /nfs/dbraw/zinc/19/52/95/210195295.db2.gz JQHVADPZQAISRP-UHFFFAOYSA-N 0 0 396.896 3.306 40 0 GGABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C)cc(C)c2)cc1C ZINC000016692259 210195312 /nfs/dbraw/zinc/19/53/12/210195312.db2.gz BUZCUPHDNIYZMP-UHFFFAOYSA-N 0 0 390.505 3.270 40 0 GGABRN CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2c(OC)cccc2OC)cc1 ZINC000016740362 210195430 /nfs/dbraw/zinc/19/54/30/210195430.db2.gz KBGQHCWWOHUQLM-CYBMUJFWSA-N 0 0 392.477 3.033 40 0 GGABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCCCCC2)cc1C ZINC000016692209 210194856 /nfs/dbraw/zinc/19/48/56/210194856.db2.gz SNNSFWWYJOVQLO-UHFFFAOYSA-N 0 0 396.553 3.243 40 0 GGABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C)c2)cc1Cl ZINC000016692702 210194535 /nfs/dbraw/zinc/19/45/35/210194535.db2.gz FGFIQUGLYQYMRC-UHFFFAOYSA-N 0 0 396.896 3.306 40 0 GGABRN CCOc1c(I)cc(/C=C2\N=C(C)OC2=O)cc1OC ZINC000016688099 210194449 /nfs/dbraw/zinc/19/44/49/210194449.db2.gz HYARYEZLGQMAFR-WDZFZDKYSA-N 0 0 387.173 3.015 40 0 GGABRN CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC ZINC000016681831 210193571 /nfs/dbraw/zinc/19/35/71/210193571.db2.gz CUCGMNAXQHIXEB-UHFFFAOYSA-N 0 0 382.869 3.208 40 0 GGABRN CCNS(=O)(=O)c1cc(C(=O)Nc2cccc3ccccc32)ccc1OC ZINC000016681875 210192208 /nfs/dbraw/zinc/19/22/08/210192208.db2.gz FRCXIZLZCGFKDC-UHFFFAOYSA-N 0 0 384.457 3.399 40 0 GGABRN CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000016575252 210191844 /nfs/dbraw/zinc/19/18/44/210191844.db2.gz WFTISMRJSUKILO-HNNXBMFYSA-N 0 0 376.478 3.027 40 0 GGABRN O=C1NC(=Cc2cc3c(cc2Br)OCO3)C(=O)N1c1ccccc1 ZINC000016488362 210191651 /nfs/dbraw/zinc/19/16/51/210191651.db2.gz GWQOQASYEGCMFW-AWNIVKPZSA-N 0 0 387.189 3.275 40 0 GGABRN Cc1ccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000016594498 210191221 /nfs/dbraw/zinc/19/12/21/210191221.db2.gz NVNBXFMYUOQVNU-HNNXBMFYSA-N 0 0 399.878 3.098 40 0 GGABRN Fc1ccccc1-c1nc(-c2cnccn2)ncc1-c1nnnn1-c1ccccc1 ZINC000016523940 210190760 /nfs/dbraw/zinc/19/07/60/210190760.db2.gz POKHUYVVMYMXCB-UHFFFAOYSA-N 0 0 396.389 3.382 40 0 GGABRN Cc1ccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cc1 ZINC000016293268 210189892 /nfs/dbraw/zinc/18/98/92/210189892.db2.gz IGYSEZQJCLKMKS-MRXNPFEDSA-N 0 0 390.505 3.335 40 0 GGABRN Cc1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cc1 ZINC000016293271 210189971 /nfs/dbraw/zinc/18/99/71/210189971.db2.gz IGYSEZQJCLKMKS-INIZCTEOSA-N 0 0 390.505 3.335 40 0 GGABRN Cc1ccc(NC(=O)OC[C@@H]2CCCO2)cc1NC(=O)OC[C@H]1CCCO1 ZINC000016347523 210189295 /nfs/dbraw/zinc/18/92/95/210189295.db2.gz VNCLHNZOEWWCSR-JKSUJKDBSA-N 0 0 378.425 3.450 40 0 GGABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(C)cc1C ZINC000016284932 210189348 /nfs/dbraw/zinc/18/93/48/210189348.db2.gz RLMWQLQEJBKILB-UHFFFAOYSA-N 0 0 396.896 3.225 40 0 GGABRN CC(=O)c1ccc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(n2nnc(C)n2)(C4)C3)cc1 ZINC000016363543 210188791 /nfs/dbraw/zinc/18/87/91/210188791.db2.gz CJFVZNAIDURTDX-XBLGPDGASA-N 0 0 379.464 3.118 40 0 GGABRN Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)c1 ZINC000016349678 210188146 /nfs/dbraw/zinc/18/81/46/210188146.db2.gz XNVHYVFKTXHGHF-UHFFFAOYSA-N 0 0 388.489 3.233 40 0 GGABRN COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1Cl ZINC000016349657 210188069 /nfs/dbraw/zinc/18/80/69/210188069.db2.gz XFBRWXUTPGSYRN-MHWRWJLKSA-N 0 0 399.834 3.188 40 0 GGABRN CN(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000016188586 210187056 /nfs/dbraw/zinc/18/70/56/210187056.db2.gz NEZZWDUZQAVBCH-UHFFFAOYSA-N 0 0 382.485 3.119 40 0 GGABRN CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000016162450 210185810 /nfs/dbraw/zinc/18/58/10/210185810.db2.gz CUAGJCJLDAXXKP-UHFFFAOYSA-N 0 0 396.896 3.170 40 0 GGABRN O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000016104415 210185487 /nfs/dbraw/zinc/18/54/87/210185487.db2.gz NSIDGKAWTSMUHV-UHFFFAOYSA-N 0 0 390.342 3.152 40 0 GGABRN O=S(=O)(c1ccc(Cl)nc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000016091273 210185323 /nfs/dbraw/zinc/18/53/23/210185323.db2.gz MNLDNIBKQVRRQS-AWEZNQCLSA-N 0 0 380.853 3.032 40 0 GGABRN COc1ccc(OCCCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000016109416 210184856 /nfs/dbraw/zinc/18/48/56/210184856.db2.gz BCPWLDQILGWBNJ-OAHLLOKOSA-N 0 0 391.489 3.135 40 0 GGABRN C[C@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000016022679 210183974 /nfs/dbraw/zinc/18/39/74/210183974.db2.gz RYBAFVLBMZCOQR-INIZCTEOSA-N 0 0 384.501 3.065 40 0 GGABRN O=C(C1=C2C(O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN12)c1ccccc1 ZINC000016038307 210183424 /nfs/dbraw/zinc/18/34/24/210183424.db2.gz LNFNIZFZHGGWDR-NCXUSEDFSA-N 0 0 394.858 3.175 40 0 GGABRN CSCC[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1nnc2ccccn21 ZINC000015971750 210181547 /nfs/dbraw/zinc/18/15/47/210181547.db2.gz AMUMBKBIEZAKTD-OAHLLOKOSA-N 0 0 398.488 3.001 40 0 GGABRN COc1ccc(CCNS(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1 ZINC000223949614 222647294 /nfs/dbraw/zinc/64/72/94/222647294.db2.gz ZDPONOUHKAHJPB-UHFFFAOYSA-N 0 0 375.490 3.104 40 0 GGABRN CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000408594327 529918151 /nfs/dbraw/zinc/91/81/51/529918151.db2.gz OMEHCBKMRNKMDU-AWEZNQCLSA-N 0 0 384.457 3.154 40 0 GGABRN CCn1c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2sc1=O ZINC000015865045 210176231 /nfs/dbraw/zinc/17/62/31/210176231.db2.gz GFTGUJNKTXVUSD-UHFFFAOYSA-N 0 0 388.445 3.361 40 0 GGABRN O=C(c1ccc(Cl)cc1)N1CCN(Cc2cc(=O)c3ccccc3[nH]2)CC1 ZINC000015865362 210176345 /nfs/dbraw/zinc/17/63/45/210176345.db2.gz NKODKVZKWULLFN-UHFFFAOYSA-N 0 0 381.863 3.140 40 0 GGABRN CSc1cccc(NC(=O)c2nc(-n3cnnc3)ccc2Br)c1 ZINC000015867183 210176092 /nfs/dbraw/zinc/17/60/92/210176092.db2.gz WNQDMBXXTLZPIB-UHFFFAOYSA-N 0 0 390.266 3.399 40 0 GGABRN COc1ccc(CCN(C)C(=O)c2ccc3c(c2)NC(=O)CS3)cc1OC ZINC000015846469 210174129 /nfs/dbraw/zinc/17/41/29/210174129.db2.gz ZFTNMCMXNZYDLH-UHFFFAOYSA-N 0 0 386.473 3.063 40 0 GGABRN O=C(NCc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000015789882 210171636 /nfs/dbraw/zinc/17/16/36/210171636.db2.gz VXJGFRZOIOWMLZ-UHFFFAOYSA-N 0 0 396.871 3.194 40 0 GGABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NC[C@@H](C)c1ccccc1 ZINC000015744474 210167380 /nfs/dbraw/zinc/16/73/80/210167380.db2.gz LSIWCTDPSLJKMY-QGZVFWFLSA-N 0 0 386.517 3.313 40 0 GGABRN CC(C)c1nn2c(nc(COC(=O)COc3ccc(Cl)cc3)cc2=O)s1 ZINC000015733992 210165586 /nfs/dbraw/zinc/16/55/86/210165586.db2.gz IMSAFAMQPLMNLO-UHFFFAOYSA-N 0 0 393.852 3.050 40 0 GGABRN Cc1ccc(C)c([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000015693479 210163271 /nfs/dbraw/zinc/16/32/71/210163271.db2.gz PCSYRBKKZOTQBY-OAHLLOKOSA-N 0 0 394.924 3.455 40 0 GGABRN COc1ccc(-c2nnc3sc(NC(=O)COc4ccc(C)cc4)nn32)cc1 ZINC000015674586 210162631 /nfs/dbraw/zinc/16/26/31/210162631.db2.gz WLMHMZROKIWBFT-UHFFFAOYSA-N 0 0 395.444 3.187 40 0 GGABRN O=C(COc1cccc(Cl)c1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000015638897 210159985 /nfs/dbraw/zinc/15/99/85/210159985.db2.gz GMLXHCFMGOSRJK-MRXNPFEDSA-N 0 0 388.851 3.266 40 0 GGABRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccnc3)c2)cc1 ZINC000015435605 210158603 /nfs/dbraw/zinc/15/86/03/210158603.db2.gz TZILYBHELMUFKK-UHFFFAOYSA-N 0 0 381.457 3.467 40 0 GGABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(F)ccc2F)ccc1OC ZINC000015564253 210158644 /nfs/dbraw/zinc/15/86/44/210158644.db2.gz LFEXAARAJFTOLS-UHFFFAOYSA-N 0 0 398.431 3.256 40 0 GGABRN CC(C)(C)NC(=O)NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000015548676 210158515 /nfs/dbraw/zinc/15/85/15/210158515.db2.gz VLLXGMBEPAZYFW-MRXNPFEDSA-N 0 0 377.535 3.381 40 0 GGABRN CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(Cl)cc3Cl)ccc21 ZINC000015324770 210156978 /nfs/dbraw/zinc/15/69/78/210156978.db2.gz RNFFEQLGNDBZHU-UHFFFAOYSA-N 0 0 399.299 3.381 40 0 GGABRN COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1S(=O)(=O)NC(C)C ZINC000015389005 210157173 /nfs/dbraw/zinc/15/71/73/210157173.db2.gz GDXFUPRJLNSXTN-CYBMUJFWSA-N 0 0 394.468 3.012 40 0 GGABRN COc1ccc(-c2noc3nc(C)cc(C(=O)NCc4cc(C)nn4C)c32)cc1 ZINC000036619169 210157206 /nfs/dbraw/zinc/15/72/06/210157206.db2.gz VOQVVFFVBFSSMG-UHFFFAOYSA-N 0 0 391.431 3.179 40 0 GGABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1S(=O)(=O)NC(C)C ZINC000015389004 210157078 /nfs/dbraw/zinc/15/70/78/210157078.db2.gz GDXFUPRJLNSXTN-ZDUSSCGKSA-N 0 0 394.468 3.012 40 0 GGABRN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000015318079 210156831 /nfs/dbraw/zinc/15/68/31/210156831.db2.gz LGIDQUSAHYZAEP-UHFFFAOYSA-N 0 0 380.734 3.176 40 0 GGABRN CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(Cl)cc3)ccc21 ZINC000015323122 210156061 /nfs/dbraw/zinc/15/60/61/210156061.db2.gz IMYXBABCDJRYHT-UHFFFAOYSA-N 0 0 378.881 3.118 40 0 GGABRN Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)c1 ZINC000015358954 210156085 /nfs/dbraw/zinc/15/60/85/210156085.db2.gz LYQQBLJSQFGCQT-OAHLLOKOSA-N 0 0 381.519 3.055 40 0 GGABRN Cc1nc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)nn1-c1ccc(F)cc1 ZINC000015192711 210154941 /nfs/dbraw/zinc/15/49/41/210154941.db2.gz LWFPHOVMJNXWRW-UHFFFAOYSA-N 0 0 378.363 3.382 40 0 GGABRN CCn1ccc(CNC(=O)c2sc([C@H](C)Cn3cc(Cl)cn3)nc2C)n1 ZINC000036614135 210154799 /nfs/dbraw/zinc/15/47/99/210154799.db2.gz RWNYAQNUKNUREI-LLVKDONJSA-N 0 0 392.916 3.252 40 0 GGABRN Cc1c(S(=O)(=O)NCc2ccccc2N2CCC(C)CC2)cnn1C(F)F ZINC000036615032 210154419 /nfs/dbraw/zinc/15/44/19/210154419.db2.gz JJIGIXHBXWNKFX-UHFFFAOYSA-N 0 0 398.479 3.301 40 0 GGABRN CC(C)c1ccccc1OCC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000015198043 210154323 /nfs/dbraw/zinc/15/43/23/210154323.db2.gz RKVYVQMMPITWBE-HNNXBMFYSA-N 0 0 375.490 3.470 40 0 GGABRN CCOc1ccc(OCCC(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000015225274 210153511 /nfs/dbraw/zinc/15/35/11/210153511.db2.gz BTFYMXYOEVBJIQ-ZDUSSCGKSA-N 0 0 392.839 3.473 40 0 GGABRN CCN(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000015083646 210152955 /nfs/dbraw/zinc/15/29/55/210152955.db2.gz VNQTXQNNBRMFDA-UHFFFAOYSA-N 0 0 380.897 3.009 40 0 GGABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(F)ccc2C)ccc1OC ZINC000015078204 210151359 /nfs/dbraw/zinc/15/13/59/210151359.db2.gz MRMFZYWPUNGLCJ-UHFFFAOYSA-N 0 0 394.468 3.426 40 0 GGABRN CN1C(=O)S/C(=C\c2cc(Cl)cc(I)c2O)C1=O ZINC000408812123 530046349 /nfs/dbraw/zinc/04/63/49/530046349.db2.gz BGAXMAFBLGQANL-BAQGIRSFSA-N 0 0 395.605 3.316 40 0 GGABRN CC(C)[C@H](NC(=O)CCNC(=O)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000015027063 210144950 /nfs/dbraw/zinc/14/49/50/210144950.db2.gz AUASFLFFXISCEW-NRFANRHFSA-N 0 0 382.460 3.091 40 0 GGABRN O=C(Nc1cc(F)ccc1F)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000015004970 210143936 /nfs/dbraw/zinc/14/39/36/210143936.db2.gz WQTVBVFKMTYRLA-UHFFFAOYSA-N 0 0 398.406 3.143 40 0 GGABRN CCOc1cc([C@@H]2Nc3nncn3C(C)=C2C(=O)OC)cc(Cl)c1OCC ZINC000015017273 210143714 /nfs/dbraw/zinc/14/37/14/210143714.db2.gz POTMQADPQBVHFI-HNNXBMFYSA-N 0 0 392.843 3.300 40 0 GGABRN CCOc1ccc(CN(C)Cc2nc(N)nc(Nc3ccccc3OC)n2)cc1 ZINC000014920372 210131425 /nfs/dbraw/zinc/13/14/25/210131425.db2.gz TWJNBLNQSYAXIO-UHFFFAOYSA-N 0 0 394.479 3.237 40 0 GGABRN CCN(CC)C(=O)c1cccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1 ZINC000014942111 210131130 /nfs/dbraw/zinc/13/11/30/210131130.db2.gz PRFKFDXTHMXYMM-UHFFFAOYSA-N 0 0 393.487 3.477 40 0 GGABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000014796206 210129640 /nfs/dbraw/zinc/12/96/40/210129640.db2.gz BBDGCJFTFOSJHW-CYBMUJFWSA-N 0 0 386.448 3.493 40 0 GGABRN Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCCCOc3ccccc3F)c12 ZINC000014815269 210128709 /nfs/dbraw/zinc/12/87/09/210128709.db2.gz JMOUFRKLBIUGOB-UHFFFAOYSA-N 0 0 382.439 3.492 40 0 GGABRN Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2C1=O ZINC000014830410 210128728 /nfs/dbraw/zinc/12/87/28/210128728.db2.gz RAQJAQJWRUVBCU-UHFFFAOYSA-N 0 0 399.406 3.147 40 0 GGABRN O=C1NCCCC[C@@H]1Sc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000014728687 210125616 /nfs/dbraw/zinc/12/56/16/210125616.db2.gz VSEINYRDIZZIHU-KRWDZBQOSA-N 0 0 379.489 3.149 40 0 GGABRN Cc1cc(C(=O)CN2CCCc3ccccc32)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000014672794 210123682 /nfs/dbraw/zinc/12/36/82/210123682.db2.gz ADLRDSASKKDGNL-SFHVURJKSA-N 0 0 386.517 3.100 40 0 GGABRN CCCCN(C(=O)c1ccc(Cl)s1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000014623999 210122923 /nfs/dbraw/zinc/12/29/23/210122923.db2.gz MSHFAZVMZCHOCS-UHFFFAOYSA-N 0 0 398.916 3.081 40 0 GGABRN Cn1nnnc1-c1cccc(NC(=O)Cc2csc(-c3ccccc3)n2)c1 ZINC000014515417 210117915 /nfs/dbraw/zinc/11/79/15/210117915.db2.gz IVUWLXQMANSFJI-UHFFFAOYSA-N 0 0 376.445 3.182 40 0 GGABRN COc1ccc(C(=O)Nc2cccc3ccccc32)cc1S(=O)(=O)N(C)C ZINC000014428961 210117037 /nfs/dbraw/zinc/11/70/37/210117037.db2.gz UPSJOGLSSIUSHI-UHFFFAOYSA-N 0 0 384.457 3.351 40 0 GGABRN COc1ccc(-c2noc(CCC(=O)NCc3ccc(C)cc3)n2)cc1OC ZINC000014182189 210107281 /nfs/dbraw/zinc/10/72/81/210107281.db2.gz DRDVVETUJMCAHN-UHFFFAOYSA-N 0 0 381.432 3.311 40 0 GGABRN CC[C@H](C(=O)NCc1ccccc1Cl)N(c1ccccc1)S(C)(=O)=O ZINC000013711473 210081397 /nfs/dbraw/zinc/08/13/97/210081397.db2.gz VDDVAXDIIOZBEB-QGZVFWFLSA-N 0 0 380.897 3.201 40 0 GGABRN CC[C@@H](C(=O)NCCSc1ccccc1)N(c1ccccc1)S(C)(=O)=O ZINC000013711152 210081509 /nfs/dbraw/zinc/08/15/09/210081509.db2.gz UEEQSPGYEBYXNY-SFHVURJKSA-N 0 0 392.546 3.140 40 0 GGABRN COC(=O)c1cc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc(C(=O)OC)c1 ZINC000013710795 210081101 /nfs/dbraw/zinc/08/11/01/210081101.db2.gz HYFLSFFUUMZSQS-AWEZNQCLSA-N 0 0 385.416 3.283 40 0 GGABRN CC[C@H](C(=O)NCCc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711901 210083301 /nfs/dbraw/zinc/08/33/01/210083301.db2.gz DDIJIRQTUGKFHW-GOSISDBHSA-N 0 0 394.924 3.244 40 0 GGABRN Cc1ccc(SCCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000013717305 210083329 /nfs/dbraw/zinc/08/33/29/210083329.db2.gz FMQNWFOSUQTETJ-UHFFFAOYSA-N 0 0 382.485 3.280 40 0 GGABRN CC[C@H](C(=O)Nc1c(F)cccc1F)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715770 210083373 /nfs/dbraw/zinc/08/33/73/210083373.db2.gz KBKYVRGHSCPXQO-OAHLLOKOSA-N 0 0 386.395 3.287 40 0 GGABRN CC[C@H](C(=O)Nc1cccc(OC)c1)N(c1ccc(F)cc1)S(C)(=O)=O 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CC(=O)c1cccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 ZINC000006033858 209626634 /nfs/dbraw/zinc/62/66/34/209626634.db2.gz VBMNSNZHDKGILU-UHFFFAOYSA-N 0 0 394.880 3.256 40 0 GGABRN Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(F)c(F)c2)C(C)C)cc1 ZINC000005938267 209623130 /nfs/dbraw/zinc/62/31/30/209623130.db2.gz ODCAKWOINDGKEZ-KRWDZBQOSA-N 0 0 382.432 3.215 40 0 GGABRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 ZINC000005630795 209606665 /nfs/dbraw/zinc/60/66/65/209606665.db2.gz FFBVNBACMMEBGU-UHFFFAOYSA-N 0 0 398.887 3.440 40 0 GGABRN C/C=C(/C)[C@H](O)[C@@H](COCc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000005566289 209603213 /nfs/dbraw/zinc/60/32/13/209603213.db2.gz ADTASHKDLUWEPQ-JHENBSQJSA-N 0 0 389.517 3.186 40 0 GGABRN C/C=C(/C)[C@@H](O)[C@@H](COCc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000005566291 209603291 /nfs/dbraw/zinc/60/32/91/209603291.db2.gz ADTASHKDLUWEPQ-GQGYXFNSSA-N 0 0 389.517 3.186 40 0 GGABRN O=C(c1ccc(F)cc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3cccnc3)ccc12 ZINC000005396531 291129660 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O=C(CC1C(=O)Nc2ccccc2S1(=O)=O)Nc1cc(Cl)ccc1Cl ZINC000001623963 209333510 /nfs/dbraw/zinc/33/35/10/209333510.db2.gz LNYBVFLQHDQIAR-AWEZNQCLSA-N 0 0 399.255 3.117 40 0 GGABRN COc1ccc(C[C@H]2C[C@@H](Cc3ccc(OC)c(OC)c3)C(=O)O2)cc1OC ZINC000001595266 209333334 /nfs/dbraw/zinc/33/33/34/209333334.db2.gz TXUHOJCTBHLKBA-SJORKVTESA-N 0 0 386.444 3.438 40 0 GGABRN CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000002108947 209347253 /nfs/dbraw/zinc/34/72/53/209347253.db2.gz AKACSWKBUFCDQN-XSSDXNQZSA-N 0 0 399.487 3.276 40 0 GGABRN Cc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000002109607 209347129 /nfs/dbraw/zinc/34/71/29/209347129.db2.gz QLSQIRLUTZBLDK-YGKZAACZSA-N 0 0 399.487 3.331 40 0 GGABRN COc1ccc(OC)c(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c1 ZINC000001909311 209342433 /nfs/dbraw/zinc/34/24/33/209342433.db2.gz MZNTZCGCRJFKGL-UHFFFAOYSA-N 0 0 396.443 3.499 40 0 GGABRN CNC(=O)OCc1c(C)n(C)c(-c2ccc(SC)cc2)c1COC(=O)NC ZINC000001873943 209341350 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/nfs/dbraw/zinc/04/98/79/212049879.db2.gz MIPPPVHVHNDPDP-NRFANRHFSA-N 0 0 381.407 3.406 40 0 GGABRN O=C(c1ccsc1)N1CC[C@@]2(CN(Cc3cccnc3)c3cccnc32)C1 ZINC000306131847 212050018 /nfs/dbraw/zinc/05/00/18/212050018.db2.gz KQTDNGLGZASTEO-NRFANRHFSA-N 0 0 376.485 3.342 40 0 GGABRN CC(C)n1cc(CN2C[C@H]3[C@H](C2)c2cc(-c4ccoc4)ccc2S3(=O)=O)cn1 ZINC000306128907 212047178 /nfs/dbraw/zinc/04/71/78/212047178.db2.gz HOAYMLKNVKWDJB-CTNGQTDRSA-N 0 0 397.500 3.479 40 0 GGABRN O=C(N1CC2(C1)OCC[C@@H]2COc1cccnc1)C12CC3CC(CC(C3)C1)C2 ZINC000306128054 212047114 /nfs/dbraw/zinc/04/71/14/212047114.db2.gz GOXRRJIIHKVILR-RQJZOYDLSA-N 0 0 382.504 3.294 40 0 GGABRN O=C1c2cccn2[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]2N1Cc1ccccn1 ZINC000306128834 212046852 /nfs/dbraw/zinc/04/68/52/212046852.db2.gz HMAALNHFXSDYKO-RTWAWAEBSA-N 0 0 376.435 3.104 40 0 GGABRN Cc1nc(Cn2ccnc2[C@H]2CN(C(=O)N(C)C)Cc3ccccc32)cs1 ZINC000306129433 212046744 /nfs/dbraw/zinc/04/67/44/212046744.db2.gz IDBUXUFQOBGVNY-SFHVURJKSA-N 0 0 381.505 3.325 40 0 GGABRN Cc1ccccc1CC(=O)N1CC[C@]2(C1)Cn1c(-c3ccco3)cnc1CO2 ZINC000306132374 212049321 /nfs/dbraw/zinc/04/93/21/212049321.db2.gz LGYDUZFYWXNNQM-QFIPXVFZSA-N 0 0 377.444 3.196 40 0 GGABRN O=C(Cc1cccs1)N1CCC[C@@H](c2nc3ccc(N4CCCC4)cn3n2)C1 ZINC000306132085 212048931 /nfs/dbraw/zinc/04/89/31/212048931.db2.gz KXXGUNZSTZIKFU-MRXNPFEDSA-N 0 0 395.532 3.340 40 0 GGABRN O=C(c1cc2c(s1)CCC2)N1CC2(C1)OCC[C@H]2COCc1ccncc1 ZINC000306131717 212048991 /nfs/dbraw/zinc/04/89/91/212048991.db2.gz KNTFIGOSADFIHJ-KRWDZBQOSA-N 0 0 384.501 3.080 40 0 GGABRN O=C(NCc1ccccc1)c1cnn2c1CN(Cc1ccco1)Cc1cccnc1-2 ZINC000306132061 212048850 /nfs/dbraw/zinc/04/88/50/212048850.db2.gz KWTUBFZVBKCUNA-UHFFFAOYSA-N 0 0 399.454 3.306 40 0 GGABRN CN1CCN(Cc2ccccn2)C[C@@H]1c1nnn2cc(-c3ccccc3)ccc12 ZINC000306132261 212048867 /nfs/dbraw/zinc/04/88/67/212048867.db2.gz LDBMFNBNNUEBCM-JOCHJYFZSA-N 0 0 384.487 3.280 40 0 GGABRN CC(C)COc1nc(-c2ccccc2)nc2c1OCCN(c1ncccn1)C2 ZINC000306133451 212048876 /nfs/dbraw/zinc/04/88/76/212048876.db2.gz MLWZADULAYUZKR-UHFFFAOYSA-N 0 0 377.448 3.367 40 0 GGABRN O=C(c1ccsc1)N1CC[C@]2(CN(Cc3cccnc3)c3cccnc32)C1 ZINC000306131848 212048471 /nfs/dbraw/zinc/04/84/71/212048471.db2.gz KQTDNGLGZASTEO-OAQYLSRUSA-N 0 0 376.485 3.342 40 0 GGABRN O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC000306131674 212048248 /nfs/dbraw/zinc/04/82/48/212048248.db2.gz KLTKUVILFAWYII-UYAOXDASSA-N 0 0 395.459 3.038 40 0 GGABRN O=C(c1ccncc1)N1CCC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 ZINC000306133186 212048334 /nfs/dbraw/zinc/04/83/34/212048334.db2.gz MEMXOHZNSQJJIZ-LJQANCHMSA-N 0 0 384.443 3.206 40 0 GGABRN O=C1NC2(CCN(Cc3ccccn3)CC2)c2nc(-c3ccccc3)sc21 ZINC000306128450 212047775 /nfs/dbraw/zinc/04/77/75/212047775.db2.gz HAMXBDKLJSPXMG-UHFFFAOYSA-N 0 0 376.485 3.440 40 0 GGABRN O=C(Cc1ccsc1)N1CC[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 ZINC000306127810 212047390 /nfs/dbraw/zinc/04/73/90/212047390.db2.gz GICFERBFDXGYRS-SFHVURJKSA-N 0 0 389.484 3.411 40 0 GGABRN Cc1nc(CN2C(=O)c3cccn3[C@H]3CN(Cc4ccc(F)cc4)C[C@H]32)cs1 ZINC000306129115 212047398 /nfs/dbraw/zinc/04/73/98/212047398.db2.gz HUZGDQUACBVWCT-VQTJNVASSA-N 0 0 396.491 3.474 40 0 GGABRN Cn1ccc2c1CN(C(=O)c1ccncc1)Cc1cn(Cc3ccccc3)nc1-2 ZINC000306129139 212047511 /nfs/dbraw/zinc/04/75/11/212047511.db2.gz HVOXCKUYMFKBTR-UHFFFAOYSA-N 0 0 383.455 3.488 40 0 GGABRN O=C(Cc1ccco1)N1CCC[C@@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 ZINC000306123954 212044353 /nfs/dbraw/zinc/04/43/53/212044353.db2.gz BBHXECBIWVLYFB-GOSISDBHSA-N 0 0 387.443 3.333 40 0 GGABRN Cn1ccc(C(=O)N2Cc3sc(N4CCCC4)nc3-c3ccccc3C2)n1 ZINC000306124989 212043956 /nfs/dbraw/zinc/04/39/56/212043956.db2.gz CDZRVVHRXLEJPH-UHFFFAOYSA-N 0 0 379.489 3.300 40 0 GGABRN O=C(Cc1ccsc1)N1CC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 ZINC000306127809 212046487 /nfs/dbraw/zinc/04/64/87/212046487.db2.gz GICFERBFDXGYRS-GOSISDBHSA-N 0 0 389.484 3.411 40 0 GGABRN Cn1ccc2cc(C(=O)N3CC4(C3)OCC[C@H]4COCc3ccncc3)ccc21 ZINC000306127489 212046614 /nfs/dbraw/zinc/04/66/14/212046614.db2.gz FZUZJJNZROMTQH-FQEVSTJZSA-N 0 0 391.471 3.021 40 0 GGABRN O=C(c1cccs1)N1CCO[C@H](c2nnn3cc(-c4ccncc4)ccc23)C1 ZINC000306129037 212046391 /nfs/dbraw/zinc/04/63/91/212046391.db2.gz HSEFOZSYSKJWNV-KRWDZBQOSA-N 0 0 391.456 3.067 40 0 GGABRN O=C(Cc1ccco1)N[C@@H]1COCc2c1cnn2-c1ccc(C(F)(F)F)cc1 ZINC000306127176 212045800 /nfs/dbraw/zinc/04/58/00/212045800.db2.gz FQPKNQCJDRVKJO-MRXNPFEDSA-N 0 0 391.349 3.414 40 0 GGABRN Cn1ccc2cc(C(=O)N3CC4(C3)OCC[C@H]4COc3ncccc3F)ccc21 ZINC000306124978 212045169 /nfs/dbraw/zinc/04/51/69/212045169.db2.gz CDQYVYYKTGQNHW-KRWDZBQOSA-N 0 0 395.434 3.023 40 0 GGABRN COc1ccc(-c2cnc3n2C[C@@]2(CCN(C(=O)c4ccc(C)o4)C2)OC3)cc1 ZINC000306124293 212045203 /nfs/dbraw/zinc/04/52/03/212045203.db2.gz BMEPVRUNJOFXRA-QFIPXVFZSA-N 0 0 393.443 3.275 40 0 GGABRN CN1CCN(Cc2nccs2)C[C@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306125628 212044984 /nfs/dbraw/zinc/04/49/84/212044984.db2.gz CWLBCFBGRJSXFV-IBGZPJMESA-N 0 0 390.516 3.342 40 0 GGABRN CN1CCN(Cc2nccs2)C[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306125629 212044517 /nfs/dbraw/zinc/04/45/17/212044517.db2.gz CWLBCFBGRJSXFV-LJQANCHMSA-N 0 0 390.516 3.342 40 0 GGABRN c1csc(-c2ccc3c([C@H]4CN(Cc5nccs5)CCO4)nnn3c2)c1 ZINC000306123008 212042414 /nfs/dbraw/zinc/04/24/14/212042414.db2.gz ACCWNOMTSGVPGA-OAHLLOKOSA-N 0 0 383.502 3.488 40 0 GGABRN COc1ccccc1OS(=O)(=O)c1ccc(I)cc1 ZINC000044266777 212042209 /nfs/dbraw/zinc/04/22/09/212042209.db2.gz JFMURNCOBNOUQN-UHFFFAOYSA-N 0 0 390.198 3.068 40 0 GGABRN Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(S(=O)(=O)C(C)C)CC2)ncn1 ZINC000257336942 212028569 /nfs/dbraw/zinc/02/85/69/212028569.db2.gz YQRUBVFHYCCMOY-MRXNPFEDSA-N 0 0 392.525 3.131 40 0 GGABRN Cc1noc(C)c1-c1cccc(C2CCN(C(=O)c3ccnc(C)n3)CC2)n1 ZINC000257337009 212028492 /nfs/dbraw/zinc/02/84/92/212028492.db2.gz YQZCWWRBMZQYEF-UHFFFAOYSA-N 0 0 377.448 3.472 40 0 GGABRN CCc1[nH]nc(C(=O)N2CCC[C@]3(C[C@@H](Oc4ccc(F)cc4)CO3)C2)c1C ZINC000257338847 212028524 /nfs/dbraw/zinc/02/85/24/212028524.db2.gz YZEBIPBQYCKTFZ-UTKZUKDTSA-N 0 0 387.455 3.262 40 0 GGABRN Cc1nc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc(N2C(=O)OCC2(C)C)n1 ZINC000257337908 212028190 /nfs/dbraw/zinc/02/81/90/212028190.db2.gz YUZCLVBNFYNASY-CYBMUJFWSA-N 0 0 376.457 3.245 40 0 GGABRN Cc1nc([C@@H]2CCN(C(=O)C3CC3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257335790 212028048 /nfs/dbraw/zinc/02/80/48/212028048.db2.gz YLXJEBYBUMEGAM-MRXNPFEDSA-N 0 0 396.466 3.140 40 0 GGABRN CCN1C(=O)CC[C@@H](C(=O)NCCc2cccc(F)c2)[C@@H]1c1ccccc1OC ZINC000257338062 212028133 /nfs/dbraw/zinc/02/81/33/212028133.db2.gz YVQFUROMPFOGGT-KNQAVFIVSA-N 0 0 398.478 3.493 40 0 GGABRN Cc1nc([C@H]2CCN(C(=O)C3CC3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257335789 212027927 /nfs/dbraw/zinc/02/79/27/212027927.db2.gz YLXJEBYBUMEGAM-INIZCTEOSA-N 0 0 396.466 3.140 40 0 GGABRN Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(C(=O)c3cnccn3)CC2)ncn1 ZINC000257343466 212027935 /nfs/dbraw/zinc/02/79/35/212027935.db2.gz ZTDJPQTYEZFWGY-MRXNPFEDSA-N 0 0 392.463 3.023 40 0 GGABRN O=C(CN1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000257343667 212027674 /nfs/dbraw/zinc/02/76/74/212027674.db2.gz ZTXYVJZYYYKGFH-UNMCSNQZSA-N 0 0 382.460 3.033 40 0 GGABRN COc1cc(C)ccc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@H]3NC(=O)CCO ZINC000257336758 212027722 /nfs/dbraw/zinc/02/77/22/212027722.db2.gz YPXSEAUZQFKLHW-XBKSPILMSA-N 0 0 387.520 3.385 40 0 GGABRN COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cncnc3)o2)c1 ZINC000257329892 212025603 /nfs/dbraw/zinc/02/56/03/212025603.db2.gz XLYBBXFEEXYHJE-LJQANCHMSA-N 0 0 378.432 3.431 40 0 GGABRN COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)c4ncccc4O)C3)o2)cc1 ZINC000257324306 212025626 /nfs/dbraw/zinc/02/56/26/212025626.db2.gz WOCBXLFNXYNAOS-INIZCTEOSA-N 0 0 393.443 3.394 40 0 GGABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)COc1c(C)cccc1C)C2 ZINC000257331889 212025436 /nfs/dbraw/zinc/02/54/36/212025436.db2.gz XUSLRZHAJDLDOJ-FAKFISEUSA-N 0 0 384.520 3.463 40 0 GGABRN Cc1cc(Nc2cc[nH]n2)nc(CC2CCN(C(=O)c3ccccc3F)CC2)n1 ZINC000257315884 212024842 /nfs/dbraw/zinc/02/48/42/212024842.db2.gz VDCVOPWKWKDKSR-UHFFFAOYSA-N 0 0 394.454 3.486 40 0 GGABRN COc1cc(N2CCCC2)c(OC)cc1[C@H]1C[C@@H](NC(C)=O)[C@@H]2CCC[C@H]2O1 ZINC000257317839 212024712 /nfs/dbraw/zinc/02/47/12/212024712.db2.gz VLKALBDIJPPTPD-GIOGAUJUSA-N 0 0 388.508 3.439 40 0 GGABRN CC(=O)N1CCC[C@@H]2N(C(=O)C(C)(C)Oc3ccc(F)cc3)CCC[C@@]21C ZINC000257323467 212024552 /nfs/dbraw/zinc/02/45/52/212024552.db2.gz WKHHNENAGTXSGV-RXVVDRJESA-N 0 0 376.472 3.375 40 0 GGABRN CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(CC(=O)Nc3cccc(F)c3)CC[C@H]21 ZINC000257316917 212024089 /nfs/dbraw/zinc/02/40/89/212024089.db2.gz VHOFAMUOKHMPAO-YPAWHYETSA-N 0 0 395.478 3.101 40 0 GGABRN Cc1c[nH]c(-c2cnc(CC3CC[NH+](Cc4ccc(C(=O)[O-])cc4)CC3)cn2)n1 ZINC000257317387 212024197 /nfs/dbraw/zinc/02/41/97/212024197.db2.gz VJOQWCSTOHABEL-UHFFFAOYSA-N 0 0 391.475 3.328 40 0 GGABRN CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C(=O)c1ccc(C)c(F)c1 ZINC000257343195 212027261 /nfs/dbraw/zinc/02/72/61/212027261.db2.gz ZRWLPHLRQWMLRT-IYERYRBDSA-N 0 0 390.499 3.185 40 0 GGABRN C[C@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(CC(=O)N3CC(O)C3)ccc2O1 ZINC000257336207 212027397 /nfs/dbraw/zinc/02/73/97/212027397.db2.gz YNNXYCOTJQTGKW-NRFANRHFSA-N 0 0 389.854 3.161 40 0 GGABRN Cc1ccccc1C(=O)N1CCC[C@@](COc2ccc(F)cc2)(CC(N)=O)C1 ZINC000257336659 212027067 /nfs/dbraw/zinc/02/70/67/212027067.db2.gz YPKMYHAJAZDXFJ-JOCHJYFZSA-N 0 0 384.451 3.311 40 0 GGABRN Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCCN2C(=O)c2nccn2C)n1 ZINC000257336372 212027170 /nfs/dbraw/zinc/02/71/70/212027170.db2.gz YODLZKWSRVQZGL-MRXNPFEDSA-N 0 0 380.452 3.158 40 0 GGABRN CCN1C(=O)CC[C@@H](C(=O)NCCCn2ccnc2)[C@@H]1c1cccc(Cl)c1 ZINC000257343385 212027202 /nfs/dbraw/zinc/02/72/02/212027202.db2.gz ZSTXZJVPLZIMIB-MJGOQNOKSA-N 0 0 388.899 3.043 40 0 GGABRN CCn1c(C)nc2cc(C(=O)N(C)[C@@H]3CCC[C@@H](n4ccnc4C)[C@@H]3O)ccc21 ZINC000257328954 212026670 /nfs/dbraw/zinc/02/66/70/212026670.db2.gz XHTKTMXOLDBMHX-NJDAHSKKSA-N 0 0 395.507 3.096 40 0 GGABRN COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cnccn3)o2)c1 ZINC000257328264 212026787 /nfs/dbraw/zinc/02/67/87/212026787.db2.gz XEWNSOKYOLIKBM-LJQANCHMSA-N 0 0 378.432 3.431 40 0 GGABRN CCN1C(=O)CC[C@@H](C(=O)NCc2ccc(OC)cc2)[C@@H]1c1ccccc1F ZINC000257325828 212026799 /nfs/dbraw/zinc/02/67/99/212026799.db2.gz WUOSRUOOHNQWFF-NQIIRXRSSA-N 0 0 384.451 3.450 40 0 GGABRN CN(C)C(=O)c1sc2nccnc2c1[C@H]1CCN(C(=O)c2cccc(F)c2)C1 ZINC000257332488 212026479 /nfs/dbraw/zinc/02/64/79/212026479.db2.gz XXNASZRVAXRFAK-ZDUSSCGKSA-N 0 0 398.463 3.162 40 0 GGABRN CC(C)[C@@H](CO)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 ZINC000257333892 212026516 /nfs/dbraw/zinc/02/65/16/212026516.db2.gz YDNRXVJWEHXVNK-OAQYLSRUSA-N 0 0 382.504 3.221 40 0 GGABRN COCCN1C(=O)CC[C@@H](C(=O)N2CCC(F)(F)CC2)[C@@H]1c1ccccc1C ZINC000257328719 212026521 /nfs/dbraw/zinc/02/65/21/212026521.db2.gz XGVHPASLGZWTHW-MJGOQNOKSA-N 0 0 394.462 3.179 40 0 GGABRN CCC(=O)N1CCC[C@H]1c1cc2nc(C)c(CCC(=O)N[C@@H](C)CC)c(C)n2n1 ZINC000257323986 212026336 /nfs/dbraw/zinc/02/63/36/212026336.db2.gz WMRYULLCRALJSV-LIRRHRJNSA-N 0 0 399.539 3.267 40 0 GGABRN CCOc1cccc2c1OC(C)(C)[C@H]1C[C@H]3[C@H](CCC[N@@H+]3CC(=O)[O-])O[C@H]21 ZINC000257331986 212026205 /nfs/dbraw/zinc/02/62/05/212026205.db2.gz XVFDPCQTMCODOQ-IUVQAAGXSA-N 0 0 375.465 3.252 40 0 GGABRN Cc1noc(C)c1-c1cnc(CC[C@H]2CCCN2C(=O)CC2CCOCC2)cn1 ZINC000257328774 212026102 /nfs/dbraw/zinc/02/61/02/212026102.db2.gz XHBJDJJJGZAUAZ-LJQANCHMSA-N 0 0 398.507 3.489 40 0 GGABRN COc1ccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCCC[C@H]3O2)cc1Cn1cccn1 ZINC000257323970 212023842 /nfs/dbraw/zinc/02/38/42/212023842.db2.gz WMPWDUQMRGDASP-YVNJGZBMSA-N 0 0 383.492 3.465 40 0 GGABRN CC(C)C[C@]1(O)CCN(C(=O)Cc2cccnc2)C[C@@H]1Oc1cccc(F)c1 ZINC000257317043 212023850 /nfs/dbraw/zinc/02/38/50/212023850.db2.gz VICXKGGDGCUNFT-RBBKRZOGSA-N 0 0 386.467 3.220 40 0 GGABRN Cn1cc(C(=O)N2CCCC[C@@H]2c2nnc(-c3nccc4ccccc43)o2)cn1 ZINC000257318492 212023943 /nfs/dbraw/zinc/02/39/43/212023943.db2.gz VOEJXJHETKUWRY-QGZVFWFLSA-N 0 0 388.431 3.386 40 0 GGABRN CCC(=O)N1CCC[C@@H]1c1cc2nc(C)c(CCC(=O)N[C@H](C)CC)c(C)n2n1 ZINC000257323983 212023474 /nfs/dbraw/zinc/02/34/74/212023474.db2.gz WMRYULLCRALJSV-AUUYWEPGSA-N 0 0 399.539 3.267 40 0 GGABRN COc1ncccc1C(=O)N1CCC2(C[C@H](N(C)c3ccc(F)cc3)CO2)CC1 ZINC000257316959 212023411 /nfs/dbraw/zinc/02/34/11/212023411.db2.gz VHSAUVHLUYCAGF-SFHVURJKSA-N 0 0 399.466 3.129 40 0 GGABRN CCCCOc1ccc(NC(=O)CN2CC[C@]3(CCCO3)[C@@H](OC)C2)cc1 ZINC000257308374 212022962 /nfs/dbraw/zinc/02/29/62/212022962.db2.gz TWMVYCLDQYGQPN-PZJWPPBQSA-N 0 0 376.497 3.074 40 0 GGABRN Cc1ncsc1C(=O)N1CCO[C@@H](c2cccc(-c3c(C)noc3C)n2)C1 ZINC000257305944 212022720 /nfs/dbraw/zinc/02/27/20/212022720.db2.gz SSESMQWXPNNDRT-MRXNPFEDSA-N 0 0 384.461 3.332 40 0 GGABRN C[C@@]12C[C@H](c3ccccc3)N(C(=O)CC3CCOCC3)[C@@H]1CCC[C@H](O)[C@@H]2O ZINC000257307678 212022765 /nfs/dbraw/zinc/02/27/65/212022765.db2.gz SZUAMXXXCNRFND-NJRJFZHGSA-N 0 0 387.520 3.057 40 0 GGABRN CO[C@H]1CCN(CC(=O)Nc2nc3ccc(Cl)cc3s2)C[C@@]12CCCO2 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OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 ZINC000223626170 211838360 /nfs/dbraw/zinc/83/83/60/211838360.db2.gz LHXNRVWXDBRSCV-UXHICEINSA-N 0 0 396.491 3.366 40 0 GGABRN COC(=O)c1cc(S(=O)(=O)NCCCc2ccc(Cl)cc2)ccc1C ZINC000223463682 211834072 /nfs/dbraw/zinc/83/40/72/211834072.db2.gz DHQUPTJDLFIGEU-UHFFFAOYSA-N 0 0 381.881 3.346 40 0 GGABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C)cc1 ZINC000223443460 211832993 /nfs/dbraw/zinc/83/29/93/211832993.db2.gz AVANRAASEPOZLB-NRFANRHFSA-N 0 0 382.504 3.490 40 0 GGABRN OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000223591363 211837227 /nfs/dbraw/zinc/83/72/27/211837227.db2.gz OISOZBYUBBXICZ-MOPGFXCFSA-N 0 0 383.448 3.446 40 0 GGABRN OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 ZINC000223569487 211836873 /nfs/dbraw/zinc/83/68/73/211836873.db2.gz OIYQGULFMOKIKH-RBUKOAKNSA-N 0 0 398.919 3.491 40 0 GGABRN COC(=O)c1ccc(C)c(S(=O)(=O)NCCOc2cccc3ccccc32)c1 ZINC000223572140 211836513 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CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223101612 211823440 /nfs/dbraw/zinc/82/34/40/211823440.db2.gz PWWMRNLCRLTBBH-IBGZPJMESA-N 0 0 396.487 3.210 40 0 GGABRN COC(=O)CSc1nnc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)s1 ZINC000223129956 211823489 /nfs/dbraw/zinc/82/34/89/211823489.db2.gz RICDSHQTXHZYKM-NSHDSACASA-N 0 0 395.506 3.333 40 0 GGABRN Cn1cccc1[C@H]1CCCCCN1C(=O)CCNC(=O)NCc1ccccc1 ZINC000025712503 211817236 /nfs/dbraw/zinc/81/72/36/211817236.db2.gz YOMLKMGVNKBCHT-HXUWFJFHSA-N 0 0 382.508 3.358 40 0 GGABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(CC)cc1 ZINC000222972805 211816911 /nfs/dbraw/zinc/81/69/11/211816911.db2.gz TUUKXLGGIIRVQK-INIZCTEOSA-N 0 0 386.467 3.320 40 0 GGABRN CCc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@H](CC)C(=O)NC)cc1 ZINC000223048033 211821888 /nfs/dbraw/zinc/82/18/88/211821888.db2.gz JKDBFGWQAZDOMR-OAQYLSRUSA-N 0 0 382.504 3.490 40 0 GGABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223008956 211820123 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O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCCCCC1 ZINC000004475770 211543322 /nfs/dbraw/zinc/54/33/22/211543322.db2.gz YSJVIARTDXMXIC-UHFFFAOYSA-N 0 0 384.929 3.143 40 0 GGABRN CCc1ccc2[nH]c(=O)c(CN(CCCO)C(=O)c3ccc(OC)cc3)cc2c1 ZINC000004230974 211535842 /nfs/dbraw/zinc/53/58/42/211535842.db2.gz VMFOIIANNPFTKK-UHFFFAOYSA-N 0 0 394.471 3.124 40 0 GGABRN COCCCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCCCC1 ZINC000004161295 211533575 /nfs/dbraw/zinc/53/35/75/211533575.db2.gz NCDDBGLPOGKXHB-UHFFFAOYSA-N 0 0 388.537 3.010 40 0 GGABRN COCCCn1c(SCC(=O)N2CCC[C@@H](C)C2)nnc1-c1ccccc1 ZINC000004161260 211533613 /nfs/dbraw/zinc/53/36/13/211533613.db2.gz IRWKFABOOPROBP-MRXNPFEDSA-N 0 0 388.537 3.332 40 0 GGABRN CCn1c(=O)c2c(nc1SCC(=O)Nc1cccc(F)c1)C[C@@H](C)S2 ZINC000004107925 211533261 /nfs/dbraw/zinc/53/32/61/211533261.db2.gz LJQUKPJBSAMSTP-SNVBAGLBSA-N 0 0 379.482 3.170 40 0 GGABRN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@@H]1CCCO1)OC(C)(C)CC3 ZINC000004089144 211531515 /nfs/dbraw/zinc/53/15/15/211531515.db2.gz ARLNZXBACIRJOL-HNNXBMFYSA-N 0 0 385.460 3.043 40 0 biogenic GGABRN COCCNC(=S)N(Cc1ccco1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000004132845 211531673 /nfs/dbraw/zinc/53/16/73/211531673.db2.gz BKAIFVZNQHMARM-UHFFFAOYSA-N 0 0 399.516 3.261 40 0 GGABRN CCCCCOc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000003080392 211519763 /nfs/dbraw/zinc/51/97/63/211519763.db2.gz WZWAHXUHYZJNNM-UHFFFAOYSA-N 0 0 384.432 3.239 40 0 GGABRN COc1ccc(CCNC(=O)C(=O)Nc2cccc3ccccc32)cc1OC ZINC000003061946 211518735 /nfs/dbraw/zinc/51/87/35/211518735.db2.gz LKDWOCSWMUJCPH-UHFFFAOYSA-N 0 0 378.428 3.154 40 0 GGABRN CC[C@@H](Sc1nc2c(c(=O)n1-c1ccc(C)cc1)SCC2)C(=O)OC ZINC000002719793 211515942 /nfs/dbraw/zinc/51/59/42/211515942.db2.gz VKTHZNIOCQUFCN-CQSZACIVSA-N 0 0 376.503 3.233 40 0 GGABRN CC(C)c1ccccc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000003594897 211526227 /nfs/dbraw/zinc/52/62/27/211526227.db2.gz SQCDSFFXDBVTKC-QFIPXVFZSA-N 0 0 377.444 3.142 40 0 GGABRN CC(=O)Nc1sc2c(c1C(=O)O[C@H](C)C(=O)NC1CCCC1)CCCC2 ZINC000003516361 211525991 /nfs/dbraw/zinc/52/59/91/211525991.db2.gz YAHVVKPRXROURU-LLVKDONJSA-N 0 0 378.494 3.189 40 0 GGABRN CC(C)CCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)NC1CC1 ZINC000003528894 211524912 /nfs/dbraw/zinc/52/49/12/211524912.db2.gz SFXZZVOCQIYNEZ-UHFFFAOYSA-N 0 0 379.913 3.467 40 0 GGABRN Cc1sc2nc3n(c(=O)c2c1C)[C@@H](CC(=O)NCc1ccccc1)CS3 ZINC000003306481 211522489 /nfs/dbraw/zinc/52/24/89/211522489.db2.gz AYGIIPONFUZHRO-AWEZNQCLSA-N 0 0 385.514 3.428 40 0 GGABRN Cc1cc(C)c(NC(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)c(C)c1 ZINC000003336806 211522357 /nfs/dbraw/zinc/52/23/57/211522357.db2.gz NKSCEUVJVAFJJW-SFHVURJKSA-N 0 0 379.460 3.104 40 0 GGABRN O=C(CN(C(=O)c1csnn1)c1cccc(C(F)(F)F)c1)NC1CCCC1 ZINC000001378413 211509872 /nfs/dbraw/zinc/50/98/72/211509872.db2.gz FIYDIIANJPEUIM-UHFFFAOYSA-N 0 0 398.410 3.263 40 0 GGABRN CCCC(=O)Nc1nnc(SCC(=O)N2c3ccccc3C[C@@H]2C)s1 ZINC000001381478 211509883 /nfs/dbraw/zinc/50/98/83/211509883.db2.gz FCIPCUHETZTTEL-NSHDSACASA-N 0 0 376.507 3.347 40 0 GGABRN CCOc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001379220 211509951 /nfs/dbraw/zinc/50/99/51/211509951.db2.gz QUBCLGQWKBBMEL-GOSISDBHSA-N 0 0 392.452 3.016 40 0 GGABRN CC(C)C[C@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC[C@H]1CCCO1 ZINC000001381326 211509152 /nfs/dbraw/zinc/50/91/52/211509152.db2.gz RNYDOUUMNZHITI-ZJUUUORDSA-N 0 0 395.308 3.317 40 0 GGABRN COc1cc2nc(C3CCC3)n(NC(=O)c3ccccc3C)c(=O)c2cc1OC ZINC000001365177 211508638 /nfs/dbraw/zinc/50/86/38/211508638.db2.gz WZCCQYBRTFZADE-UHFFFAOYSA-N 0 0 393.443 3.374 40 0 GGABRN CCOc1ccc2nc(NC(=O)CSc3nnc(C4CC4)n3C)sc2c1 ZINC000001364660 211508349 /nfs/dbraw/zinc/50/83/49/211508349.db2.gz UJHKDLAVRKBMMN-UHFFFAOYSA-N 0 0 389.506 3.432 40 0 GGABRN O=C(NCc1ccco1)c1ccc(S(=O)(=O)NCC2CCCCC2)cc1 ZINC000001368360 211508215 /nfs/dbraw/zinc/50/82/15/211508215.db2.gz ODSLWOUMUOIUCH-UHFFFAOYSA-N 0 0 376.478 3.068 40 0 GGABRN CCCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccccn1 ZINC000001362605 211507153 /nfs/dbraw/zinc/50/71/53/211507153.db2.gz PEKRHZCGDWLHJC-UHFFFAOYSA-N 0 0 383.477 3.490 40 0 GGABRN CCOc1ccccc1-n1nnnc1SCC(=O)N1c2ccccc2C[C@H]1C ZINC000001357506 211506185 /nfs/dbraw/zinc/50/61/85/211506185.db2.gz AIIFBMGZLMYSDT-CQSZACIVSA-N 0 0 395.488 3.131 40 0 GGABRN CN(C)c1ccc(NC(=O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000001336438 211505855 /nfs/dbraw/zinc/50/58/55/211505855.db2.gz XPNPBZMENCDLMW-UHFFFAOYSA-N 0 0 383.467 3.425 40 0 GGABRN CC(C)[C@H](OC(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2)C(=O)NC1CCCC1 ZINC000001346813 211505573 /nfs/dbraw/zinc/50/55/73/211505573.db2.gz PVBPPPCZFXQXLK-KRWDZBQOSA-N 0 0 388.464 3.036 40 0 GGABRN O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000001345857 211505631 /nfs/dbraw/zinc/50/56/31/211505631.db2.gz QBTAVIQEHXQNET-HXUWFJFHSA-N 0 0 398.528 3.356 40 0 GGABRN C[C@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000001345706 211505726 /nfs/dbraw/zinc/50/57/26/211505726.db2.gz INPMHNJUCJQTRG-KRWDZBQOSA-N 0 0 398.528 3.206 40 0 GGABRN CCN(CC)C(=O)CSc1nnc(-c2cccnc2)n1-c1cccc(OC)c1 ZINC000001329497 211505733 /nfs/dbraw/zinc/50/57/33/211505733.db2.gz DZNLOYMKJZKSLE-UHFFFAOYSA-N 0 0 397.504 3.298 40 0 GGABRN C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000001345709 211505131 /nfs/dbraw/zinc/50/51/31/211505131.db2.gz INPMHNJUCJQTRG-QGZVFWFLSA-N 0 0 398.528 3.206 40 0 GGABRN O=C(Nc1cccc(Cl)c1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000001324753 211504092 /nfs/dbraw/zinc/50/40/92/211504092.db2.gz WCIKUUNZODNPOW-INIZCTEOSA-N 0 0 394.880 3.050 40 0 GGABRN COc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c1 ZINC000001225024 211503775 /nfs/dbraw/zinc/50/37/75/211503775.db2.gz FLFYVBXKRSIKSU-UHFFFAOYSA-N 0 0 386.429 3.019 40 0 GGABRN CCOc1cc(/C=C2/N=C(c3ccc(NC(C)=O)cc3)OC2=O)ccc1OC ZINC000001004499 211502287 /nfs/dbraw/zinc/50/22/87/211502287.db2.gz JQICWOVATPXYIB-GZTJUZNOSA-N 0 0 380.400 3.397 40 0 GGABRN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)N1CCCC1 ZINC000000905147 211496542 /nfs/dbraw/zinc/49/65/42/211496542.db2.gz WQRSBDWLLIYZKX-UHFFFAOYSA-N 0 0 379.489 3.103 40 0 GGABRN Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCCCC1 ZINC000000905008 211495708 /nfs/dbraw/zinc/49/57/08/211495708.db2.gz GSANSLQNPILVAL-UHFFFAOYSA-N 0 0 380.901 3.152 40 0 GGABRN Cc1cccc(-c2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)o2)c1 ZINC000000882255 211495014 /nfs/dbraw/zinc/49/50/14/211495014.db2.gz HVHKCSANPGNQNT-UHFFFAOYSA-N 0 0 383.429 3.182 40 0 GGABRN Cc1cc2cc3c(cc2n2c(SCC(=O)N4CCC(C)CC4)nnc12)OCO3 ZINC000000877492 211494842 /nfs/dbraw/zinc/49/48/42/211494842.db2.gz GLEDNIIWMWDQBS-UHFFFAOYSA-N 0 0 398.488 3.270 40 0 GGABRN O=C(CCn1nnc2ccccc21)Nc1nnc(COc2ccc(F)cc2)s1 ZINC000000897839 211494559 /nfs/dbraw/zinc/49/45/59/211494559.db2.gz SKBGRLZLHFWJAR-UHFFFAOYSA-N 0 0 398.423 3.030 40 0 GGABRN COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000882792 211493686 /nfs/dbraw/zinc/49/36/86/211493686.db2.gz JIOTVECBDHPBJJ-UHFFFAOYSA-N 0 0 375.841 3.055 40 0 GGABRN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2C)cc1 ZINC000000787009 211487398 /nfs/dbraw/zinc/48/73/98/211487398.db2.gz UDONOOQIANWLRG-UHFFFAOYSA-N 0 0 382.445 3.121 40 0 GGABRN CCCc1ccc([C@H](C)N(CC(N)=O)C(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000050609993 211474355 /nfs/dbraw/zinc/47/43/55/211474355.db2.gz UOXANDCJELQPIG-HNNXBMFYSA-N 0 0 382.460 3.099 40 0 GGABRN CC(=O)[C@]1(O)[C@@H](C)C[C@H]2[C@@H]3C[C@@H](F)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118917777 211473360 /nfs/dbraw/zinc/47/33/60/211473360.db2.gz UOHQEFKIKABMNS-OKUFPZSJSA-N 0 0 382.516 3.019 40 0 GGABRN Cc1cc(F)ccc1S(=O)(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000115584276 211471243 /nfs/dbraw/zinc/47/12/43/211471243.db2.gz PJVKLSXHAVLBQH-UHFFFAOYSA-N 0 0 381.816 3.316 40 0 GGABRN Cc1ccccc1N(CCCC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113968436 211470778 /nfs/dbraw/zinc/47/07/78/211470778.db2.gz VJTPKWNRTUKHMD-UHFFFAOYSA-N 0 0 382.432 3.458 40 0 GGABRN COc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1N1CCCC1=O ZINC000113949783 211470039 /nfs/dbraw/zinc/47/00/39/211470039.db2.gz GDQINWZSIHFRIR-UHFFFAOYSA-N 0 0 392.502 3.345 40 0 GGABRN COc1ccc(N(CCCC(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000113961943 211469563 /nfs/dbraw/zinc/46/95/63/211469563.db2.gz FEXJNMFHILVEAE-UHFFFAOYSA-N 0 0 390.505 3.497 40 0 GGABRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c(C)c1 ZINC000113967333 211469655 /nfs/dbraw/zinc/46/96/55/211469655.db2.gz UYBVXDZOLGWZRI-CVEARBPZSA-N 0 0 392.496 3.474 40 0 GGABRN CCN(c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1)S(=O)(=O)CC ZINC000113963004 211469223 /nfs/dbraw/zinc/46/92/23/211469223.db2.gz JPRGOWLTKGOTQA-UHFFFAOYSA-N 0 0 380.897 3.446 40 0 GGABRN COc1cccc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c1 ZINC000113962782 211469393 /nfs/dbraw/zinc/46/93/93/211469393.db2.gz PJAFWBXOGMFBDV-UHFFFAOYSA-N 0 0 390.505 3.497 40 0 GGABRN CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000048356155 211455646 /nfs/dbraw/zinc/45/56/46/211455646.db2.gz WHTBYTBHUNJYTK-UHFFFAOYSA-N 0 0 383.267 3.463 40 0 GGABRN O=C(CSc1nc2ccccc2s1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000049026534 211459043 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O=S(=O)(NC[C@@H](c1ccccc1)N1CCOCC1)c1ccc2ccccc2c1 ZINC000044782749 211451278 /nfs/dbraw/zinc/45/12/78/211451278.db2.gz QWEMRBRUOGHGIJ-QFIPXVFZSA-N 0 0 396.512 3.192 40 0 GGABRN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)N2CCCN2[C@H]3c2ccc(F)cc2)cc1Cl ZINC000102691465 211414007 /nfs/dbraw/zinc/41/40/07/211414007.db2.gz FTTCBGJNHJHTEK-CEXWTWQISA-N 0 0 399.853 3.323 40 0 GGABRN O=C(Nc1ccccc1F)[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1 ZINC000102674448 211412339 /nfs/dbraw/zinc/41/23/39/211412339.db2.gz WCRODKALTIYXRE-GASCZTMLSA-N 0 0 380.423 3.376 40 0 GGABRN CCCCN1C(=O)[C@H]2[C@H]3C=Cc4ccccc4N3[C@H](C(=O)C(C)(C)C)[C@@H]2C1=O ZINC000101487888 211401309 /nfs/dbraw/zinc/40/13/09/211401309.db2.gz PRYIKQTYSFHILG-HCXYKTFWSA-N 0 0 380.488 3.287 40 0 GGABRN CCOC(=O)c1sc2nc(CN(C)C)nc(N(C)Cc3cccnc3)c2c1C ZINC000098065885 211377844 /nfs/dbraw/zinc/37/78/44/211377844.db2.gz NDDVGFMVPPIJFY-UHFFFAOYSA-N 0 0 399.520 3.269 40 0 GGABRN CCc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccc(C)cc2)cc1 ZINC000100955150 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211367384 /nfs/dbraw/zinc/36/73/84/211367384.db2.gz KOKMZJFJXMQVST-CQSZACIVSA-N 0 0 375.444 3.223 40 0 GGABRN Cc1cc2oc(=O)cc(CSCc3nc(N)nc(N(C)C)n3)c2cc1C(C)C ZINC000096993730 211355057 /nfs/dbraw/zinc/35/50/57/211355057.db2.gz YOFYXGLDWLHQIH-UHFFFAOYSA-N 0 0 399.520 3.491 40 0 GGABRN Cc1ccc(S(=O)(=O)c2nc(I)n3ccccc23)cc1 ZINC000096536895 211343267 /nfs/dbraw/zinc/34/32/67/211343267.db2.gz WPUMVFMLBUPOCU-UHFFFAOYSA-N 0 0 398.225 3.080 40 0 GGABRN CC1=CC(=C2C(=O)NC(=S)NC2=O)C=C(C(F)(F)F)N1Cc1ccco1 ZINC000096305802 211333383 /nfs/dbraw/zinc/33/33/83/211333383.db2.gz UMJWRKAELIDMNX-UHFFFAOYSA-N 0 0 383.351 3.113 40 0 GGABRN Cc1nc(-c2nc(C(=O)NCCc3ccccn3)c3ccccn32)cn1C(C)C ZINC000096266915 211328833 /nfs/dbraw/zinc/32/88/33/211328833.db2.gz BUIFSDIUBLRUEP-UHFFFAOYSA-N 0 0 388.475 3.455 40 0 GGABRN CCCc1ccc(C(=O)N2CCCn3nnc(CN4CCCCC4)c3C2)cc1 ZINC000096259589 211327217 /nfs/dbraw/zinc/32/72/17/211327217.db2.gz QZKODGWBCIHVJV-UHFFFAOYSA-N 0 0 381.524 3.263 40 0 GGABRN C[C@@H]1CN(C(=O)Nc2ccc(F)cc2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2 ZINC000096260991 211327298 /nfs/dbraw/zinc/32/72/98/211327298.db2.gz DWIVVURBXHGBHX-CFCCAZDESA-N 0 0 389.471 3.143 40 0 GGABRN Cn1c2cc(C(=O)NCc3ccccn3)n(-c3ncccn3)c2c2ccccc21 ZINC000096264181 211327139 /nfs/dbraw/zinc/32/71/39/211327139.db2.gz WKIUMPZMSDBFJZ-UHFFFAOYSA-N 0 0 382.427 3.237 40 0 GGABRN O=C(c1cnc2ccccc2c1)N1CCc2onc(COc3cccnc3)c2C1 ZINC000096260052 211326359 /nfs/dbraw/zinc/32/63/59/211326359.db2.gz VEPVXYBGIBMLEN-UHFFFAOYSA-N 0 0 386.411 3.395 40 0 GGABRN CC1=N[C@@]2(CC[C@@H]3CN(C(=O)Nc4ccccc4C)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261472 211326200 /nfs/dbraw/zinc/32/62/00/211326200.db2.gz HMHZIGYOEQKUKL-KGVIQGDOSA-N 0 0 380.492 3.278 40 0 GGABRN O=C(NCC(F)(F)F)c1nc2c(Nc3ccccc3)nc3ccccc3n2n1 ZINC000096264236 211326049 /nfs/dbraw/zinc/32/60/49/211326049.db2.gz MBCVEHNBPICTEQ-UHFFFAOYSA-N 0 0 386.337 3.313 40 0 GGABRN C[C@@H]1CN(C(=O)Cc2ccccc2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC000096261053 211326126 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Cc1nc(N2CCCC2)nc2c1CCN(C(=O)c1cnc3ccccc3c1)CC2 ZINC000096254673 211325310 /nfs/dbraw/zinc/32/53/10/211325310.db2.gz ZXFOBCPZKRBGKT-UHFFFAOYSA-N 0 0 387.487 3.174 40 0 GGABRN Cc1nc(NCc2ccco2)nc2c1COC[C@@]21CCN(C(=O)CC(C)C)C1 ZINC000096244627 211325398 /nfs/dbraw/zinc/32/53/98/211325398.db2.gz AIKBNDPKFWJBHM-NRFANRHFSA-N 0 0 384.480 3.037 40 0 GGABRN C[C@@H](CNC(=O)C1=NO[C@]2(CCN(Cc3ccc(F)cc3)C2)C1)c1ccccc1 ZINC000096225724 211319268 /nfs/dbraw/zinc/31/92/68/211319268.db2.gz SSUPLQIVQZNEJH-GAJHUEQPSA-N 0 0 395.478 3.466 40 0 GGABRN O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(C(=O)N1CCCC1)C2 ZINC000096225416 211318926 /nfs/dbraw/zinc/31/89/26/211318926.db2.gz NCTGSYNEMVPYTA-LJQANCHMSA-N 0 0 390.871 3.105 40 0 GGABRN CCOc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)cc(Cl)c1OC ZINC000096193442 211318560 /nfs/dbraw/zinc/31/85/60/211318560.db2.gz DIQNYRPBNKUYHD-UHFFFAOYSA-N 0 0 392.843 3.402 40 0 GGABRN Cc1nc(-c2nc(C(=O)NCc3cnc(C)cn3)c3ccccn32)cn1C(C)C ZINC000096155092 211311861 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COCCn1c(C(=O)N(C)Cc2ccccn2)cc2c1c1ccccc1n2C ZINC000096146238 211309614 /nfs/dbraw/zinc/30/96/14/211309614.db2.gz IJQOADRUQPNNJP-UHFFFAOYSA-N 0 0 376.460 3.447 40 0 GGABRN Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CCN(C(=O)c2cccnc2)C1 ZINC000096244657 211324650 /nfs/dbraw/zinc/32/46/50/211324650.db2.gz QJOJJROVXLROQB-QHCPKHFHSA-N 0 0 386.455 3.161 40 0 GGABRN CCCc1ccc(C(=O)N2CCCn3cnc(CN4CCCC4=O)c3C2)cc1 ZINC000096259368 211324858 /nfs/dbraw/zinc/32/48/58/211324858.db2.gz TVKWLKLQKLXCAG-UHFFFAOYSA-N 0 0 380.492 3.004 40 0 GGABRN Cc1nc(-c2cccc(F)c2)nc2c1CN(S(=O)(=O)Cc1ccccc1)CC2 ZINC000096253946 211324463 /nfs/dbraw/zinc/32/44/63/211324463.db2.gz UJRGODOKISMTRX-UHFFFAOYSA-N 0 0 397.475 3.479 40 0 GGABRN CN(C)C(=O)N1CCC2(CC1)C[C@H](CC(=O)NC1CCC1)c1ccccc1O2 ZINC000096243159 211324219 /nfs/dbraw/zinc/32/42/19/211324219.db2.gz QQAIRXLWYRQDEB-INIZCTEOSA-N 0 0 385.508 3.128 40 0 GGABRN CC(C)(C)CC(=O)N1CC[C@@]2(C1)COCc1cnc(NCc3ccco3)nc12 ZINC000096244246 211324225 /nfs/dbraw/zinc/32/42/25/211324225.db2.gz XVTZHXLQXMJQBC-OAQYLSRUSA-N 0 0 384.480 3.118 40 0 GGABRN O=C(c1ccc2ncccc2c1)N1CCCn2cnc(CN3CCCC3)c2C1 ZINC000096259310 211324125 /nfs/dbraw/zinc/32/41/25/211324125.db2.gz MJTFEQNFIMMCLK-UHFFFAOYSA-N 0 0 375.476 3.073 40 0 GGABRN CN(C)C(=O)C[C@H]1CC2(CCN(C(=O)c3cccnc3)CC2)c2ccccc21 ZINC000096242026 211323817 /nfs/dbraw/zinc/32/38/17/211323817.db2.gz YWCZINSEWMJEHU-SFHVURJKSA-N 0 0 377.488 3.221 40 0 GGABRN O=C(NCC1CC1)[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2)CC12CCOCC2 ZINC000096240818 211323799 /nfs/dbraw/zinc/32/37/99/211323799.db2.gz HSAUAPVVJFCWPU-KRWDZBQOSA-N 0 0 391.899 3.127 40 0 GGABRN Cc1ccccc1N1C[C@@]2(CCN(C(=O)NCc3cccc(F)c3)C2)CC1=O ZINC000096238615 211323621 /nfs/dbraw/zinc/32/36/21/211323621.db2.gz PYFSFYPAHUIZKW-QFIPXVFZSA-N 0 0 381.451 3.473 40 0 GGABRN O=C(Nc1ccc(Cl)cc1)N1C[C@H](C(=O)N2CCCC2)C2(C1)CCOCC2 ZINC000096240887 211323665 /nfs/dbraw/zinc/32/36/65/211323665.db2.gz XKABCILRNFXSAQ-QGZVFWFLSA-N 0 0 391.899 3.223 40 0 GGABRN COc1cccc(N2C[C@]3(CCN(C(=O)Cc4ccc(F)cc4)C3)CC2=O)c1 ZINC000096238930 211323406 /nfs/dbraw/zinc/32/34/06/211323406.db2.gz JFERYRBYVGSZLJ-JOCHJYFZSA-N 0 0 382.435 3.032 40 0 GGABRN O=C(Nc1cccc(F)c1)[C@H]1CN(C(=O)c2cccs2)CC12CCOCC2 ZINC000096241079 211323434 /nfs/dbraw/zinc/32/34/34/211323434.db2.gz USZCBGYFSRGWKT-MRXNPFEDSA-N 0 0 388.464 3.395 40 0 GGABRN COc1ccc(N2C[C@]3(CCN(C(=O)Cc4ccc(F)cc4)C3)CC2=O)cc1 ZINC000096238984 211323290 /nfs/dbraw/zinc/32/32/90/211323290.db2.gz SJTXSEYWOPDPOK-JOCHJYFZSA-N 0 0 382.435 3.032 40 0 GGABRN Cc1ccc(C(=O)N2C[C@@H](C(=O)Nc3cccc(F)c3)C3(C2)CCOCC3)o1 ZINC000096241077 211323074 /nfs/dbraw/zinc/32/30/74/211323074.db2.gz HYEZNRWAGYNGDR-KRWDZBQOSA-N 0 0 386.423 3.235 40 0 GGABRN O=C(C[C@@H]1CC2(CCN(C(=O)c3ccncc3)CC2)c2ccccc21)NC1CC1 ZINC000096242293 211323112 /nfs/dbraw/zinc/32/31/12/211323112.db2.gz PYHQEHHNAJYULP-GOSISDBHSA-N 0 0 389.499 3.412 40 0 GGABRN CC(C)CC(=O)N1CCC2(C[C@@H](CC(=O)N3CCOCC3)c3ccccc32)CC1 ZINC000096242188 211322844 /nfs/dbraw/zinc/32/28/44/211322844.db2.gz QAHYCYVKOFNHTI-LJQANCHMSA-N 0 0 398.547 3.329 40 0 GGABRN Cc1ccc(CS(=O)(=O)N2CC[C@@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)cc1 ZINC000096238474 211322884 /nfs/dbraw/zinc/32/28/84/211322884.db2.gz QKAORUJUWAPNTM-JOCHJYFZSA-N 0 0 398.528 3.262 40 0 GGABRN Cn1ccnc1CN1Cc2ccccc2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000096242525 211322934 /nfs/dbraw/zinc/32/29/34/211322934.db2.gz WCZGPYNWAVKTQM-UHFFFAOYSA-N 0 0 390.487 3.203 40 0 GGABRN O=C(C[C@@H]1CC2(CCN(C(=O)c3ccccn3)CC2)c2ccccc21)NC1CC1 ZINC000096242299 211322952 /nfs/dbraw/zinc/32/29/52/211322952.db2.gz ZKLJEIFQBCDLOL-QGZVFWFLSA-N 0 0 389.499 3.412 40 0 GGABRN COc1ccc(CCC(=O)N(C)Cc2nc(-c3cccs3)no2)cc1OC ZINC000096235938 211323000 /nfs/dbraw/zinc/32/30/00/211323000.db2.gz LPUPWOJDNZWAPN-UHFFFAOYSA-N 0 0 387.461 3.407 40 0 GGABRN CCc1ccc(NC(=O)N2C[C@H](C(=O)NCC3CC3)C3(C2)CCOCC3)cc1 ZINC000096240863 211322681 /nfs/dbraw/zinc/32/26/81/211322681.db2.gz QTOZZCLHKZZOCH-LJQANCHMSA-N 0 0 385.508 3.036 40 0 GGABRN COc1cccc(N2C[C@@]3(CCN(C(=O)NCc4cccc(F)c4)C3)CC2=O)c1 ZINC000096238933 211322709 /nfs/dbraw/zinc/32/27/09/211322709.db2.gz MYFRLROWKRSHDK-QFIPXVFZSA-N 0 0 397.450 3.173 40 0 GGABRN O=C(NCc1cccc(F)c1)N1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000096238763 211322715 /nfs/dbraw/zinc/32/27/15/211322715.db2.gz UGBWJKQPWCVVIW-NRFANRHFSA-N 0 0 385.414 3.303 40 0 GGABRN COc1ccc(CC(=O)N2CC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)cc1 ZINC000096238754 211322558 /nfs/dbraw/zinc/32/25/58/211322558.db2.gz MQNXWHDUJSHIPS-JOCHJYFZSA-N 0 0 382.435 3.032 40 0 GGABRN CC(C)NC(=O)N1CCC2(CC1)C[C@H](CC(=O)NCC1CC1)c1ccccc1O2 ZINC000096242877 211322355 /nfs/dbraw/zinc/32/23/55/211322355.db2.gz NXLQCVSOZJXVHM-SFHVURJKSA-N 0 0 399.535 3.422 40 0 GGABRN O=C(NCc1cccs1)[C@@H]1C[C@]12CCN(C(=O)NCc1cccc(F)c1)C2 ZINC000096227636 211321968 /nfs/dbraw/zinc/32/19/68/211321968.db2.gz POIGAGXPAVYCHO-PXNSSMCTSA-N 0 0 387.480 3.125 40 0 GGABRN O=C(NCc1cccs1)[C@H]1C[C@]12CCN(C(=O)NCc1cccc(F)c1)C2 ZINC000096227634 211321736 /nfs/dbraw/zinc/32/17/36/211321736.db2.gz POIGAGXPAVYCHO-XLIONFOSSA-N 0 0 387.480 3.125 40 0 GGABRN Cc1ccc(S(=O)(=O)N2CC[C@]3(C[C@@H]3C(=O)Nc3cccc(F)c3)C2)cc1 ZINC000096227264 211321756 /nfs/dbraw/zinc/32/17/56/211321756.db2.gz AASKVNUAPMVFFB-QUCCMNQESA-N 0 0 388.464 3.174 40 0 GGABRN CN(Cc1ccccn1)C(=O)[C@H]1C[C@@]12CCN(C(=O)Nc1ccc(F)cc1)C2 ZINC000096227359 211321861 /nfs/dbraw/zinc/32/18/61/211321861.db2.gz AAYDRSXXIUYWTQ-WIYYLYMNSA-N 0 0 382.439 3.123 40 0 GGABRN O=C(NCc1cccs1)[C@H]1C[C@@]12CCN(C(=O)NCc1cccc(F)c1)C2 ZINC000096227635 211321524 /nfs/dbraw/zinc/32/15/24/211321524.db2.gz POIGAGXPAVYCHO-YLJYHZDGSA-N 0 0 387.480 3.125 40 0 GGABRN O=C(NCc1cccs1)[C@@H]1C[C@@]12CCN(C(=O)NCc1cccc(F)c1)C2 ZINC000096227637 211321194 /nfs/dbraw/zinc/32/11/94/211321194.db2.gz POIGAGXPAVYCHO-FXAWDEMLSA-N 0 0 387.480 3.125 40 0 GGABRN CCc1cccc(NC(=O)N2CC[C@]3(C[C@@H]3C(=O)NCc3ccncc3)C2)c1 ZINC000096227552 211321267 /nfs/dbraw/zinc/32/12/67/211321267.db2.gz CBOOSGAIVKOVPQ-KNQAVFIVSA-N 0 0 378.476 3.204 40 0 GGABRN CCc1ccc(NC(=O)N2CC[C@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)cc1 ZINC000096227048 211321358 /nfs/dbraw/zinc/32/13/58/211321358.db2.gz QUSRKKJOSWJUQZ-KNQAVFIVSA-N 0 0 378.476 3.204 40 0 GGABRN O=C(c1ccc2[nH]ccc2c1)N1CCC[C@]2(C1)COCCN(c1cccnc1)C2 ZINC000096228861 211320878 /nfs/dbraw/zinc/32/08/78/211320878.db2.gz FOUDKOANKBVPHI-QHCPKHFHSA-N 0 0 390.487 3.322 40 0 GGABRN C[C@H](CNC(=O)C1=NO[C@]2(CCN(Cc3ccc(F)cc3)C2)C1)c1ccccc1 ZINC000096225725 211319828 /nfs/dbraw/zinc/31/98/28/211319828.db2.gz SSUPLQIVQZNEJH-UZUQRXQVSA-N 0 0 395.478 3.466 40 0 GGABRN C[C@@H](CNC(=O)C1=NO[C@@]2(CCN(Cc3ccc(F)cc3)C2)C1)c1ccccc1 ZINC000096225726 211319647 /nfs/dbraw/zinc/31/96/47/211319647.db2.gz SSUPLQIVQZNEJH-SBUREZEXSA-N 0 0 395.478 3.466 40 0 GGABRN Cc1cccc(NC(=O)N2CCC[C@@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)c1 ZINC000096224989 211319694 /nfs/dbraw/zinc/31/96/94/211319694.db2.gz CZWFSNRDKMZWHB-OAQYLSRUSA-N 0 0 393.447 3.172 40 0 GGABRN C[C@@H](CNC(=O)C1=NO[C@@]2(CCN(C(=O)c3ccsc3)C2)C1)c1ccccc1 ZINC000096225740 211319509 /nfs/dbraw/zinc/31/95/09/211319509.db2.gz KEQJPTMUBOXPKX-BTYIYWSLSA-N 0 0 397.500 3.029 40 0 GGABRN CO[C@@](C)(CNS(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C)c1ccccc1F ZINC000096123618 211302504 /nfs/dbraw/zinc/30/25/04/211302504.db2.gz WUTYQFNZBRFPGQ-VOBQZIQPSA-N 0 0 397.512 3.002 40 0 GGABRN COCC(=O)N1CCC(c2cc3c(ncn3C(C)C)c(-c3cccnc3)n2)CC1 ZINC000096100021 211301832 /nfs/dbraw/zinc/30/18/32/211301832.db2.gz AUMDEECXINVCSN-UHFFFAOYSA-N 0 0 393.491 3.427 40 0 GGABRN Cn1cnc2c1cc(C1CCN(C(=O)c3ccnnc3)CC1)nc2-c1ccccc1 ZINC000096099937 211301321 /nfs/dbraw/zinc/30/13/21/211301321.db2.gz CTWJBKDWLHSGBN-UHFFFAOYSA-N 0 0 398.470 3.445 40 0 GGABRN CCCNC(=O)c1ccc2ccc(N3CCN(C(=O)c4ccccc4)CC3)n2c1 ZINC000096091608 211300883 /nfs/dbraw/zinc/30/08/83/211300883.db2.gz WIQAVGTYQMYUJX-UHFFFAOYSA-N 0 0 390.487 3.042 40 0 GGABRN CCC1=NC2(CCC(C(=O)NCc3ccc(F)cc3)CC2)C(=O)N1CC1CC1 ZINC000096087526 211300892 /nfs/dbraw/zinc/30/08/92/211300892.db2.gz JCMAVHMOFKFWPH-UHFFFAOYSA-N 0 0 385.483 3.432 40 0 GGABRN CS(=O)(=O)N1CCCc2ccccc2[C@@H]1c1ccnc(-c2ccncc2)c1 ZINC000096087159 211300633 /nfs/dbraw/zinc/30/06/33/211300633.db2.gz RTQDXBIAUOZLDM-NRFANRHFSA-N 0 0 379.485 3.441 40 0 GGABRN Cc1ccc(C(=O)N2CCC3(CC[C@@H](C(=O)Nc4cccnc4)O3)CC2)cc1C ZINC000096087300 211300221 /nfs/dbraw/zinc/30/02/21/211300221.db2.gz UEQCXDNOCURMOT-FQEVSTJZSA-N 0 0 393.487 3.491 40 0 GGABRN O=C(Nc1cccnc1)[C@@H]1CCC2(CCN(C(=O)Nc3ccccc3)CC2)O1 ZINC000096087290 211300316 /nfs/dbraw/zinc/30/03/16/211300316.db2.gz SWZQCASCNSGUKH-SFHVURJKSA-N 0 0 380.448 3.266 40 0 GGABRN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1nccs1)CC2 ZINC000096061346 211299109 /nfs/dbraw/zinc/29/91/09/211299109.db2.gz XQJZBMFKVJTGSG-SFHVURJKSA-N 0 0 385.533 3.140 40 0 GGABRN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1nccs1)CC2 ZINC000096061347 211298766 /nfs/dbraw/zinc/29/87/66/211298766.db2.gz XQJZBMFKVJTGSG-GOSISDBHSA-N 0 0 385.533 3.140 40 0 GGABRN COc1cccc(N2C[C@]3(CCN(C(=O)Nc4ccc(F)cc4)C3)CC2=O)c1 ZINC000096077485 211298776 /nfs/dbraw/zinc/29/87/76/211298776.db2.gz TWORUKNLFICWTG-OAQYLSRUSA-N 0 0 383.423 3.495 40 0 GGABRN Cn1cccc1C(=O)N1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1 ZINC000096062762 211298865 /nfs/dbraw/zinc/29/88/65/211298865.db2.gz ZOTHVXUDOJKQSZ-UHFFFAOYSA-N 0 0 386.459 3.150 40 0 GGABRN O=C(Nc1cccnc1)C1=NO[C@@]2(C1)CCCN(C(=O)c1cccc(Cl)c1)C2 ZINC000096074337 211297738 /nfs/dbraw/zinc/29/77/38/211297738.db2.gz HALCDCWMLJZORP-HXUWFJFHSA-N 0 0 398.850 3.125 40 0 GGABRN CC(C)n1c(C(=O)NCCCN2CCOCC2)cc2c1c1ccccc1n2C ZINC000096037277 211296875 /nfs/dbraw/zinc/29/68/75/211296875.db2.gz HLWCEWSBIZSTPO-UHFFFAOYSA-N 0 0 382.508 3.166 40 0 GGABRN CCOCCCNC(=O)[C@H]1c2c(ncn2C(C)C)CCN1Cc1ccccc1 ZINC000096037525 211297041 /nfs/dbraw/zinc/29/70/41/211297041.db2.gz UJEJVPRXALEBPS-OAQYLSRUSA-N 0 0 384.524 3.106 40 0 GGABRN CC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21 ZINC000096052641 211296560 /nfs/dbraw/zinc/29/65/60/211296560.db2.gz ZSAYAONSWGMGJI-QGZVFWFLSA-N 0 0 392.503 3.053 40 0 GGABRN CN(C)c1ncc(-c2cc(C(=O)NCc3cccs3)n(CC3CC3)c2)cn1 ZINC000096037629 211296566 /nfs/dbraw/zinc/29/65/66/211296566.db2.gz WXRJJRCDWYSOMC-UHFFFAOYSA-N 0 0 381.505 3.413 40 0 GGABRN COCCn1c(C(=O)N2CCN(C)CC2)cc2c1c1ccccc1n2C(C)C ZINC000096037336 211296171 /nfs/dbraw/zinc/29/61/71/211296171.db2.gz VMGUZPNSWASQBD-UHFFFAOYSA-N 0 0 382.508 3.211 40 0 GGABRN CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)c3ccncc3)CC2)c2ccccc21 ZINC000096052719 211296117 /nfs/dbraw/zinc/29/61/17/211296117.db2.gz QVXSAHOROOGPMN-GOSISDBHSA-N 0 0 377.488 3.221 40 0 GGABRN O=C(c1ccsc1)N1CCC2(CC[C@H]2NS(=O)(=O)c2ccccc2)CC1 ZINC000096051650 211295773 /nfs/dbraw/zinc/29/57/73/211295773.db2.gz VUEMJURBNJCMQV-QGZVFWFLSA-N 0 0 390.530 3.111 40 0 GGABRN CNC(=O)C[C@@H]1CC2(CCN(C(=O)c3cccc(C)n3)CC2)c2ccccc21 ZINC000096052592 211295695 /nfs/dbraw/zinc/29/56/95/211295695.db2.gz KASIJUXQBXVACN-QGZVFWFLSA-N 0 0 377.488 3.187 40 0 GGABRN CCCNC(=O)[C@@H]1C[C@]2(CO1)c1ccccc1CN2Cc1cccc(OC)c1 ZINC000096143943 211308334 /nfs/dbraw/zinc/30/83/34/211308334.db2.gz FMINFBFJULTWQC-GMAHTHKFSA-N 0 0 380.488 3.221 40 0 GGABRN C[C@@H]1c2ccccc2O[C@H]1C(=O)Oc1ccc(NC(=O)c2cnn(C)c2)cc1 ZINC000095960146 211287248 /nfs/dbraw/zinc/28/72/48/211287248.db2.gz MZVYLNWYDFJNRB-BFUOFWGJSA-N 0 0 377.400 3.143 40 0 GGABRN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Oc1ccc(NC(=O)c2cnn(C)c2)cc1 ZINC000095960144 211287112 /nfs/dbraw/zinc/28/71/12/211287112.db2.gz MZVYLNWYDFJNRB-YJYMSZOUSA-N 0 0 377.400 3.143 40 0 GGABRN Fc1c(F)c(I)cc(I)c1F ZINC000095611839 211282241 /nfs/dbraw/zinc/28/22/41/211282241.db2.gz FEFCHGODYPJRDD-UHFFFAOYSA-N 0 0 383.876 3.313 40 0 GGABRN Cc1cccc([C@@H]2CCCCCN2C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000095398275 211239460 /nfs/dbraw/zinc/23/94/60/211239460.db2.gz FEOPMZJLAOXGSQ-PGRDOPGGSA-N 0 0 383.492 3.159 40 0 GGABRN C[C@@H]1C(=O)[C@]23[C@@H]4OC(C)(C)O[C@@H]2C[C@H]2C(C)(C)CCC(=O)[C@@]2(C)[C@@H]3C(=O)C[C@@H]41 ZINC000095100265 211220434 /nfs/dbraw/zinc/22/04/34/211220434.db2.gz UDJCYXRYVPLXHJ-DDMREJPVSA-N 0 0 388.504 3.332 40 0 GGABRN Cc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccccc4)N4CCC[C@H]34)C2O)cc1C ZINC000095346195 211220280 /nfs/dbraw/zinc/22/02/80/211220280.db2.gz ZHQNWZMABXGLTE-MHTWAQMVSA-N 0 0 388.467 3.139 40 0 GGABRN COCCCNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccc(C)cc1 ZINC000016711554 211217273 /nfs/dbraw/zinc/21/72/73/211217273.db2.gz WTYXABAHKBCTPU-SQBXPZIGSA-N 0 0 378.472 3.475 40 0 GGABRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc2c(c1)CCCC2 ZINC000016488949 211216962 /nfs/dbraw/zinc/21/69/62/211216962.db2.gz DPDCBBIZZPWLAL-IBGZPJMESA-N 0 0 377.440 3.344 40 0 GGABRN Cc1c(NS(=O)(=O)C[C@@H](C)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000133367501 211216096 /nfs/dbraw/zinc/21/60/96/211216096.db2.gz CJACMGRLJKGKPY-OAHLLOKOSA-N 0 0 385.489 3.030 40 0 GGABRN FC1(F)C(I)=C(I)C1(F)F ZINC000090560584 211187675 /nfs/dbraw/zinc/18/76/75/211187675.db2.gz LLRRXTKRZREGCY-UHFFFAOYSA-N 0 0 377.844 3.352 40 0 GGABRN O=C(NCCc1ccccc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000089832390 211185458 /nfs/dbraw/zinc/18/54/58/211185458.db2.gz BNDVQCFKLFENJS-UHFFFAOYSA-N 0 0 386.517 3.224 40 0 GGABRN Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cc1C ZINC000084177749 211167718 /nfs/dbraw/zinc/16/77/18/211167718.db2.gz FLFYEOYXAYEUCR-NHCUHLMSSA-N 0 0 390.483 3.486 40 0 GGABRN O=S(=O)(Oc1ccc(-n2cccn2)cc1)c1ccc(Br)s1 ZINC000084615375 211171320 /nfs/dbraw/zinc/17/13/20/211171320.db2.gz ROXOJTLNNHSWTF-UHFFFAOYSA-N 0 0 385.264 3.464 40 0 GGABRN CN(CCc1ccccn1)C(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000127093413 211167832 /nfs/dbraw/zinc/16/78/32/211167832.db2.gz PQKQVUWQMAWKFL-UHFFFAOYSA-N 0 0 394.406 3.048 40 0 GGABRN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC(=O)N(C)c1ccccc1 ZINC000082086752 211160588 /nfs/dbraw/zinc/16/05/88/211160588.db2.gz UQPBQVYXCDPWAR-HXUWFJFHSA-N 0 0 376.460 3.383 40 0 GGABRN CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CC(=O)N(C)c1ccccc1 ZINC000082086754 211159045 /nfs/dbraw/zinc/15/90/45/211159045.db2.gz UQPBQVYXCDPWAR-FQEVSTJZSA-N 0 0 376.460 3.383 40 0 GGABRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)Cc2cn3cccc(C)c3n2)c1 ZINC000084210767 211167593 /nfs/dbraw/zinc/16/75/93/211167593.db2.gz QBXXYZCDYNNNMA-SFHVURJKSA-N 0 0 394.500 3.034 40 0 GGABRN CN(C)c1ccc(Br)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000126594035 211163803 /nfs/dbraw/zinc/16/38/03/211163803.db2.gz GGNSVUKBZRWFAV-UHFFFAOYSA-N 0 0 381.295 3.267 40 0 GGABRN C[C@H](C(=O)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2)S(C)(=O)=O ZINC000079038780 211152246 /nfs/dbraw/zinc/15/22/46/211152246.db2.gz YTMRVDKGPUZVLI-ACJLOTCBSA-N 0 0 377.531 3.266 40 0 GGABRN O=C(Cc1c(Cl)cccc1Cl)NCCNC(=O)c1c(F)cccc1F ZINC000079033310 211152309 /nfs/dbraw/zinc/15/23/09/211152309.db2.gz WIXOCYYTSQVBAF-UHFFFAOYSA-N 0 0 387.213 3.360 40 0 GGABRN COc1ccc(-c2ccc(C(=O)N3CCC(NC(C)=O)CC3)c(F)c2)c(F)c1 ZINC000078616973 211148879 /nfs/dbraw/zinc/14/88/79/211148879.db2.gz ZEPPYAUINZKCNB-UHFFFAOYSA-N 0 0 388.414 3.381 40 0 GGABRN C[C@H]1CN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C[C@H](c2ccccc2)O1 ZINC000078609954 211148654 /nfs/dbraw/zinc/14/86/54/211148654.db2.gz JCVIGCUITSACTL-MGPUTAFESA-N 0 0 379.460 3.168 40 0 GGABRN COC(=O)NCCCC(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000078658100 211148664 /nfs/dbraw/zinc/14/86/64/211148664.db2.gz KMEZCHIRRBGAHC-UHFFFAOYSA-N 0 0 378.498 3.081 40 0 GGABRN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000078494974 211147147 /nfs/dbraw/zinc/14/71/47/211147147.db2.gz OZEGEIAFSZDAET-SFHVURJKSA-N 0 0 392.503 3.350 40 0 GGABRN C[C@@H](C(=O)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2)S(C)(=O)=O ZINC000079038782 211153266 /nfs/dbraw/zinc/15/32/66/211153266.db2.gz YTMRVDKGPUZVLI-SCLBCKFNSA-N 0 0 377.531 3.266 40 0 GGABRN CCOc1ccc(Cl)cc1S(=O)(=O)NCCc1ccc(OC)c(OC)c1 ZINC000072414466 211115926 /nfs/dbraw/zinc/11/59/26/211115926.db2.gz LXFQCTRCGNJGGE-UHFFFAOYSA-N 0 0 399.896 3.277 40 0 GGABRN COc1ccc2[nH]c(C(=O)N3CCC(n4cnc5cccnc54)CC3)cc2c1 ZINC000072366008 211103704 /nfs/dbraw/zinc/10/37/04/211103704.db2.gz HVOHIAYXCUBFFJ-UHFFFAOYSA-N 0 0 375.432 3.399 40 0 GGABRN Nc1ccc(C(=O)N2CCC[C@@H](c3nccnc3Oc3ccccc3F)C2)cn1 ZINC000072363035 211103561 /nfs/dbraw/zinc/10/35/61/211103561.db2.gz ZBPVPGCVWCDPLX-OAHLLOKOSA-N 0 0 393.422 3.405 40 0 GGABRN COc1ccccc1Oc1nccnc1[C@@H]1CCCN(Cc2cncn2C)C1 ZINC000072363151 211103569 /nfs/dbraw/zinc/10/35/69/211103569.db2.gz BYLNVPNZRLJNHL-MRXNPFEDSA-N 0 0 379.464 3.391 40 0 GGABRN CNc1nc([C@H]2CCCN(C(=O)CCC3CCCC3)C2)nc2c1CN(C)CC2 ZINC000072372175 211103324 /nfs/dbraw/zinc/10/33/24/211103324.db2.gz SMAQUFLQYSIHQB-KRWDZBQOSA-N 0 0 385.556 3.183 40 0 GGABRN Cc1n[nH]cc1C(=O)N1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371440 211103139 /nfs/dbraw/zinc/10/31/39/211103139.db2.gz FVHGOUDPSWTTHN-CQSZACIVSA-N 0 0 399.882 3.346 40 0 GGABRN COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1Cc1ncc[nH]1 ZINC000072370278 211102895 /nfs/dbraw/zinc/10/28/95/211102895.db2.gz XQFRMTHUORVGOA-OAHLLOKOSA-N 0 0 398.532 3.208 40 0 GGABRN Nc1ccc(C(=O)N2CCC(c3nccnc3Oc3ccc(F)cc3)CC2)cn1 ZINC000072363037 211102960 /nfs/dbraw/zinc/10/29/60/211102960.db2.gz OOFBXPPXEBIFEL-UHFFFAOYSA-N 0 0 393.422 3.405 40 0 GGABRN COCC(=O)N1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371296 211102610 /nfs/dbraw/zinc/10/26/10/211102610.db2.gz AHTDVQMQJJLJMT-CYBMUJFWSA-N 0 0 397.397 3.012 40 0 GGABRN Nc1cc(-c2cncnc2[C@@H]2CN(Cc3cccc4cccnc43)CCO2)ccn1 ZINC000072370847 211102258 /nfs/dbraw/zinc/10/22/58/211102258.db2.gz HFROSCCUIGFOBY-FQEVSTJZSA-N 0 0 398.470 3.243 40 0 GGABRN Cc1cc(Oc2ccccc2)nc(C2CCN(C(=O)c3cnn(C)c3)CC2)n1 ZINC000072362953 211102323 /nfs/dbraw/zinc/10/23/23/211102323.db2.gz WWUSVIUFWXIWOJ-UHFFFAOYSA-N 0 0 377.448 3.331 40 0 GGABRN COc1ccc2[nH]c(C(=O)N3CC[C@H](n4cnc5cccnc54)C3)cc2c1OC ZINC000072366054 211102169 /nfs/dbraw/zinc/10/21/69/211102169.db2.gz BJDGUEVXJBWQQS-ZDUSSCGKSA-N 0 0 391.431 3.017 40 0 GGABRN CCc1cc2c(ncnc2NCC(=O)N2CC[C@](O)(c3ccc(C)cc3)C2)s1 ZINC000072399268 211111518 /nfs/dbraw/zinc/11/15/18/211111518.db2.gz OPNSBJWIAKGOAV-OAQYLSRUSA-N 0 0 396.516 3.094 40 0 GGABRN CC(C)C(=O)N1CCC[C@@](Cc2cc(-c3ccccc3)no2)(C(=O)N(C)C)C1 ZINC000072395964 211110996 /nfs/dbraw/zinc/11/09/96/211110996.db2.gz YPYFPDTZXVPUHR-QFIPXVFZSA-N 0 0 383.492 3.237 40 0 GGABRN CCC(=O)N1CCN(C)C(=O)[C@@H](Cc2ccc(-c3ccc(OC)cc3)cc2)C1 ZINC000072391010 211111063 /nfs/dbraw/zinc/11/10/63/211111063.db2.gz FZWASUXJIZSBBV-FQEVSTJZSA-N 0 0 380.488 3.232 40 0 GGABRN CC(C)C(=O)N1CCC[C@H](c2nn(CCOc3ccccc3)c3nccnc23)C1 ZINC000072395880 211110779 /nfs/dbraw/zinc/11/07/79/211110779.db2.gz KECPRVWNBPQBSN-KRWDZBQOSA-N 0 0 393.491 3.267 40 0 GGABRN Cc1cc(C(F)(F)F)nn1CCc1cc(=O)[nH]c(NCc2cccc(F)c2)n1 ZINC000072391447 211110279 /nfs/dbraw/zinc/11/02/79/211110279.db2.gz XKFAUQJZNMBAFF-UHFFFAOYSA-N 0 0 395.360 3.288 40 0 GGABRN O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000072396244 211109456 /nfs/dbraw/zinc/10/94/56/211109456.db2.gz RCDRNCMUSXKDIT-LJQANCHMSA-N 0 0 389.455 3.396 40 0 GGABRN CNC(=O)[C@]1(Cc2cccc(-c3cccc(C)c3)c2)CCCN(C(=O)COC)C1 ZINC000072391499 211109566 /nfs/dbraw/zinc/10/95/66/211109566.db2.gz RWIDLUQYAIGNHI-DEOSSOPVSA-N 0 0 394.515 3.206 40 0 GGABRN CC(C)C(=O)N1CCC(c2nn(CCOc3ccccc3)c3nccnc23)CC1 ZINC000072395858 211109214 /nfs/dbraw/zinc/10/92/14/211109214.db2.gz FQSJNYOKRYNVTM-UHFFFAOYSA-N 0 0 393.491 3.267 40 0 GGABRN Cc1cnc(Nc2nc(C)nc3c2CCN(C(=O)Cc2ccccc2)C3)s1 ZINC000072380765 211108672 /nfs/dbraw/zinc/10/86/72/211108672.db2.gz XHVWAAQHTCWJGK-UHFFFAOYSA-N 0 0 379.489 3.421 40 0 GGABRN Cc1cnc(C(=O)N2CC[C@@H](c3nc(C)cc(Oc4ccccc4F)n3)C2)cn1 ZINC000072383973 211108676 /nfs/dbraw/zinc/10/86/76/211108676.db2.gz LORWPOHCQOFXTP-OAHLLOKOSA-N 0 0 393.422 3.445 40 0 GGABRN Cc1nccn1-c1cccc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)n1 ZINC000072379037 211108682 /nfs/dbraw/zinc/10/86/82/211108682.db2.gz NCZPSGSHIMCXHH-UHFFFAOYSA-N 0 0 394.450 3.500 40 0 GGABRN Cc1cnc(C(=O)N2CCC(c3nccnc3Oc3cccnc3C)CC2)cn1 ZINC000072383970 211108211 /nfs/dbraw/zinc/10/82/11/211108211.db2.gz BHIZWJUMQZUQDV-UHFFFAOYSA-N 0 0 390.447 3.091 40 0 GGABRN Cc1n[nH]cc1C(=O)N1CC[C@@H](c2nc(C)cc(Oc3ccccc3F)n2)C1 ZINC000072384003 211108370 /nfs/dbraw/zinc/10/83/70/211108370.db2.gz KAAAXCFXILEAKS-CQSZACIVSA-N 0 0 381.411 3.378 40 0 GGABRN Cc1cc(-c2cncnc2C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)on1 ZINC000072389415 211108397 /nfs/dbraw/zinc/10/83/97/211108397.db2.gz XXSKLZOYQQDXKM-UHFFFAOYSA-N 0 0 392.415 3.189 40 0 GGABRN O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2cc(C(=O)NC3CCCC3)[nH]n2)C1 ZINC000072380665 211108126 /nfs/dbraw/zinc/10/81/26/211108126.db2.gz YTUKOOXKBPCQDG-MRXNPFEDSA-N 0 0 398.482 3.170 40 0 GGABRN Cc1cnc(Nc2cc(C[C@H]3CCCN(C(=O)c4cc[nH]n4)C3)nc(C)n2)s1 ZINC000072382892 211108131 /nfs/dbraw/zinc/10/81/31/211108131.db2.gz ZVTZSKJXDQYDBX-CQSZACIVSA-N 0 0 397.508 3.112 40 0 GGABRN Cc1cc(Oc2ccccc2C)nc([C@H]2CCN(C(=O)c3cnn(C)c3)C2)n1 ZINC000072384309 211108174 /nfs/dbraw/zinc/10/81/74/211108174.db2.gz HODKBJVNABNLGR-INIZCTEOSA-N 0 0 377.448 3.249 40 0 GGABRN Cc1nccn1-c1cccc([C@H]2CCCN(C(=O)COc3ccccc3)C2)n1 ZINC000072379025 211107664 /nfs/dbraw/zinc/10/76/64/211107664.db2.gz IPADUVVVYGLDEM-SFHVURJKSA-N 0 0 376.460 3.361 40 0 GGABRN Cc1cnc(Nc2nc(C)nc3c2CN(C(=O)COc2ccccc2)CC3)s1 ZINC000072380770 211107472 /nfs/dbraw/zinc/10/74/72/211107472.db2.gz MOHVROFIPVNHFR-UHFFFAOYSA-N 0 0 395.488 3.257 40 0 GGABRN CCCC(=O)N1CCO[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)NC)C1 ZINC000072389217 211107612 /nfs/dbraw/zinc/10/76/12/211107612.db2.gz WITOGKJPBUFWOL-OAQYLSRUSA-N 0 0 386.517 3.101 40 0 GGABRN COc1ccc(CCCC(=O)N2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1C ZINC000072390813 211107235 /nfs/dbraw/zinc/10/72/35/211107235.db2.gz AMXAOYBPNGKXCY-HXUWFJFHSA-N 0 0 394.519 3.126 40 0 GGABRN CCCC(=O)N1CCO[C@@](Cc2ccc(-c3cccc(C)c3)cc2)(C(=O)NC)C1 ZINC000072389331 211107247 /nfs/dbraw/zinc/10/72/47/211107247.db2.gz LNMZHAHQPVAJCA-XMMPIXPASA-N 0 0 394.515 3.348 40 0 GGABRN Cc1cc(Oc2ccccc2)nc([C@@H]2CCCCN2C(=O)CN2CCCC2=O)n1 ZINC000072384091 211107024 /nfs/dbraw/zinc/10/70/24/211107024.db2.gz ZXCWNWXFFHQDFI-SFHVURJKSA-N 0 0 394.475 3.253 40 0 GGABRN CCC(=O)N1CCO[C@](Cc2cccc(-c3ccccc3)c2)(C(=O)NC2CC2)C1 ZINC000072389117 211106856 /nfs/dbraw/zinc/10/68/56/211106856.db2.gz ROXJGFDUNWCAEQ-DEOSSOPVSA-N 0 0 392.499 3.182 40 0 GGABRN COc1ccc(CCCC(=O)N2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1C ZINC000072390812 211106869 /nfs/dbraw/zinc/10/68/69/211106869.db2.gz AMXAOYBPNGKXCY-FQEVSTJZSA-N 0 0 394.519 3.126 40 0 GGABRN CCc1nc(C)c(C(=O)N2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)o1 ZINC000072375883 211106630 /nfs/dbraw/zinc/10/66/30/211106630.db2.gz CRULMAAVYQADKJ-OAHLLOKOSA-N 0 0 378.436 3.451 40 0 GGABRN Cc1nccn1-c1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000072378752 211105856 /nfs/dbraw/zinc/10/58/56/211105856.db2.gz HIYBEZNADCKWIV-GOSISDBHSA-N 0 0 386.452 3.241 40 0 GGABRN Nc1ncc(-c2ccccc2)c([C@H]2CCCCN2CC(=O)Nc2ccccn2)n1 ZINC000072377018 211105414 /nfs/dbraw/zinc/10/54/14/211105414.db2.gz JAIHRHCBEXTAIU-GOSISDBHSA-N 0 0 388.475 3.287 40 0 GGABRN Nc1ncc(-c2ccccc2)c([C@@H]2CCCCN2CC(=O)Nc2nccs2)n1 ZINC000072376865 211105429 /nfs/dbraw/zinc/10/54/29/211105429.db2.gz RJFMQLYWOLIPIT-INIZCTEOSA-N 0 0 394.504 3.348 40 0 GGABRN O=S(=O)(Cc1ccccc1)N1CCC[C@@H]1c1cccc(Nc2cnccn2)n1 ZINC000072375277 211105549 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Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN(C(=O)c4cnccn4)C3)n2)n1 ZINC000072375985 211105051 /nfs/dbraw/zinc/10/50/51/211105051.db2.gz GMHYYYVTAJQTKC-MRXNPFEDSA-N 0 0 389.463 3.042 40 0 GGABRN Cc1c(CN2CCC[C@@H]2c2ccc(C(=O)Nc3nccs3)cn2)cnn1C ZINC000072374441 211104790 /nfs/dbraw/zinc/10/47/90/211104790.db2.gz CYKXOTRFLWYXNC-QGZVFWFLSA-N 0 0 382.493 3.169 40 0 GGABRN Cc1cc(C)nc(Nc2ccc(C3CCN(C(=O)[C@@H]4CCCO4)CC3)nc2)n1 ZINC000072374217 211104696 /nfs/dbraw/zinc/10/46/96/211104696.db2.gz SHFJQIBAOPTVDF-IBGZPJMESA-N 0 0 381.480 3.117 40 0 GGABRN Nc1ncc(-c2ccccc2)c([C@@H]2CCCCN2CC(=O)Nc2ccccn2)n1 ZINC000072377017 211104625 /nfs/dbraw/zinc/10/46/25/211104625.db2.gz JAIHRHCBEXTAIU-SFHVURJKSA-N 0 0 388.475 3.287 40 0 GGABRN COc1cccc(C(=O)N2CC[C@@H](c3cc(-c4cnn(C)c4)cc(C)n3)C2)c1 ZINC000072374641 211104505 /nfs/dbraw/zinc/10/45/05/211104505.db2.gz UYUBXLYDSPASPG-QGZVFWFLSA-N 0 0 376.460 3.429 40 0 GGABRN Cn1cc(C(=O)N2CCCC[C@H]2c2nc(N)ncc2-c2ccc(Cl)cc2)cn1 ZINC000072377192 211104530 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ZINC000090609676 211037154 /nfs/dbraw/zinc/03/71/54/211037154.db2.gz QHCOPWFKVKFRLE-DOTOQJQBSA-N 0 0 399.560 3.400 40 0 GGABRN COc1ccc(Cl)cc1NC(=O)N1CCCSC[C@@H]1CN1CCOCC1 ZINC000090609209 211036627 /nfs/dbraw/zinc/03/66/27/211036627.db2.gz RYHWJASFRZSCBN-HNNXBMFYSA-N 0 0 399.944 3.020 40 0 GGABRN CN(Cc1nc2ccccc2s1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000069475799 211038940 /nfs/dbraw/zinc/03/89/40/211038940.db2.gz DYBFWPKRMJWHCL-MRXNPFEDSA-N 0 0 380.473 3.243 40 0 GGABRN CC[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(OC)cc1 ZINC000069712393 211038706 /nfs/dbraw/zinc/03/87/06/211038706.db2.gz PGPGCIVJTCYRCH-LJQANCHMSA-N 0 0 380.444 3.339 40 0 GGABRN O=S(=O)(c1cccs1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000090607600 211036435 /nfs/dbraw/zinc/03/64/35/211036435.db2.gz NZPFODIGPSBHSA-UHFFFAOYSA-N 0 0 392.424 3.394 40 0 GGABRN O=C(Nc1ccccc1C(F)(F)F)[C@H]1COCC(=O)N1Cc1cccs1 ZINC000090608487 211036367 /nfs/dbraw/zinc/03/63/67/211036367.db2.gz TXNFPHCOBXEVIK-CQSZACIVSA-N 0 0 384.379 3.133 40 0 GGABRN Cc1nccn1CC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000090560581 211035305 /nfs/dbraw/zinc/03/53/05/211035305.db2.gz MFNKOMLOTRPGJG-UHFFFAOYSA-N 0 0 387.427 3.311 40 0 GGABRN COc1ccc(CCC(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)cc1 ZINC000090590688 211034588 /nfs/dbraw/zinc/03/45/88/211034588.db2.gz UXOAPJKBKSASHQ-UHFFFAOYSA-N 0 0 383.370 3.436 40 0 GGABRN COc1ccccc1OCCNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000069078954 211033372 /nfs/dbraw/zinc/03/33/72/211033372.db2.gz TVYGVKNXAHYBLU-UHFFFAOYSA-N 0 0 376.261 3.359 40 0 GGABRN CCc1c(C(=O)Cn2nc(-c3ccccc3F)ccc2=O)[nH]c(C)c1C(C)=O ZINC000066264597 211002444 /nfs/dbraw/zinc/00/24/44/211002444.db2.gz YWLOEWHVEDZUCU-UHFFFAOYSA-N 0 0 381.407 3.334 40 0 GGABRN Cc1cc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)n(C)n1 ZINC000065853458 211001068 /nfs/dbraw/zinc/00/10/68/211001068.db2.gz NCDGVNRJEBPBLH-UHFFFAOYSA-N 0 0 381.398 3.226 40 0 GGABRN CO[C@@H](C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccccc1 ZINC000065782821 211000803 /nfs/dbraw/zinc/00/08/03/211000803.db2.gz XTINQWBHCDNSMX-WOJBJXKFSA-N 0 0 388.895 3.217 40 0 GGABRN Cc1cc2n(n1)c1ccccc1c(=O)n2C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000058611300 210923280 /nfs/dbraw/zinc/92/32/80/210923280.db2.gz HXJBTHWCTNAFOP-GOSISDBHSA-N 0 0 391.471 3.323 40 0 GGABRN NC(=O)CC[C@@H]1CCCN(C(=O)c2cc3cc(Br)ccc3o2)C1 ZINC000060373823 210927679 /nfs/dbraw/zinc/92/76/79/210927679.db2.gz YRPWUGISNQTVCJ-NSHDSACASA-N 0 0 379.254 3.313 40 0 GGABRN CC(C)Cn1ncc2cc(C(=O)N(C)CC(=O)Nc3cccc(Cl)c3)cnc21 ZINC000060272844 210927559 /nfs/dbraw/zinc/92/75/59/210927559.db2.gz KERMIBYPJJTQBR-UHFFFAOYSA-N 0 0 399.882 3.451 40 0 GGABRN COc1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1-n1nnnc1C ZINC000060365435 210926607 /nfs/dbraw/zinc/92/66/07/210926607.db2.gz JDTUMQQNIFFZRN-UHFFFAOYSA-N 0 0 395.316 3.390 40 0 GGABRN OCc1nnc2n1CCN(Cc1ccc(-c3ccc(C(F)(F)F)cc3)cc1)C2 ZINC000057822937 210903770 /nfs/dbraw/zinc/90/37/70/210903770.db2.gz ZDRZRMRWMKGFRD-UHFFFAOYSA-N 0 0 388.393 3.472 40 0 GGABRN O=S(=O)(NC[C@@H]1CCCO1)c1cc(Cl)c(Br)cc1Cl ZINC000054363473 210876403 /nfs/dbraw/zinc/87/64/03/210876403.db2.gz JSMBFSMQOFSIDI-ZETCQYMHSA-N 0 0 389.098 3.213 40 0 GGABRN CCN(c1ccc2sc(C(N)=O)cc2c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000046073606 210834431 /nfs/dbraw/zinc/83/44/31/210834431.db2.gz FWTQYTQWMHQPOP-UHFFFAOYSA-N 0 0 390.486 3.224 40 0 GGABRN C[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1 ZINC000044949895 210819585 /nfs/dbraw/zinc/81/95/85/210819585.db2.gz FRKXUHKJZWHBLF-HNNXBMFYSA-N 0 0 390.480 3.242 40 0 GGABRN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1C ZINC000044903678 210817825 /nfs/dbraw/zinc/81/78/25/210817825.db2.gz CAMSCEIRMKEROQ-HNNXBMFYSA-N 0 0 378.469 3.086 40 0 GGABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)cc1N1CCCC1=O ZINC000044900398 210815533 /nfs/dbraw/zinc/81/55/33/210815533.db2.gz QVDDYZUQNATLFL-OAHLLOKOSA-N 0 0 388.489 3.170 40 0 GGABRN C[C@@H](NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccc(F)cc1 ZINC000044880803 210815057 /nfs/dbraw/zinc/81/50/57/210815057.db2.gz YGWPXYPMYJCWJJ-GFCCVEGCSA-N 0 0 384.860 3.123 40 0 GGABRN Cc1ccc(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1C ZINC000044841474 210814401 /nfs/dbraw/zinc/81/44/01/210814401.db2.gz KTOPDWRDEXRFKP-UHFFFAOYSA-N 0 0 394.924 3.381 40 0 GGABRN C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000044304741 210812222 /nfs/dbraw/zinc/81/22/22/210812222.db2.gz SWFFYOVGJVRZKR-AWEZNQCLSA-N 0 0 393.530 3.008 40 0 GGABRN CC(=O)Nc1ccc(OC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)cc1 ZINC000043703268 210810773 /nfs/dbraw/zinc/81/07/73/210810773.db2.gz VBCPZGPMFKLDHH-GOSISDBHSA-N 0 0 390.386 3.283 40 0 GGABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NC1CCCCC1 ZINC000043469190 210807829 /nfs/dbraw/zinc/80/78/29/210807829.db2.gz IELKECLHZJPKJW-UHFFFAOYSA-N 0 0 395.525 3.324 40 0 GGABRN CC(=O)c1c(C)[nH]c(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)c1C ZINC000042670018 210803157 /nfs/dbraw/zinc/80/31/57/210803157.db2.gz GYRAMVDKHUFNBP-UHFFFAOYSA-N 0 0 380.448 3.121 40 0 GGABRN CCc1nn2c(nnc3c(=O)n(C(C)(C)CO)ccc32)c1-c1ccc(Cl)cc1 ZINC000040395882 210786887 /nfs/dbraw/zinc/78/68/87/210786887.db2.gz RWFVBCFLOKXMMQ-UHFFFAOYSA-N 0 0 397.866 3.049 40 0 GGABRN COc1ccc(/C=C/C(=O)N2c3ccccc3C(=O)N3CCCC[C@H]3C2=O)cc1 ZINC000040386376 210785377 /nfs/dbraw/zinc/78/53/77/210785377.db2.gz CZIGZJXHMQOVCC-IXDOJHRFSA-N 0 0 390.439 3.277 40 0 GGABRN C[C@@H]1Cc2ccccc2N1c1nc(N)c(C(=S)Nc2ccccc2)c(=O)[nH]1 ZINC000040385594 210784419 /nfs/dbraw/zinc/78/44/19/210784419.db2.gz DBWKMIOILTUOML-GFCCVEGCSA-N 0 0 377.473 3.222 40 0 GGABRN COc1ccc(CNC(=O)CSc2ccc(OC)c(OC)c2)cc1OC ZINC000038756004 210757925 /nfs/dbraw/zinc/75/79/25/210757925.db2.gz YEGFSKWCXCEUGR-UHFFFAOYSA-N 0 0 377.462 3.130 40 0 GGABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CSc1ccccc1 ZINC000038753639 210757640 /nfs/dbraw/zinc/75/76/40/210757640.db2.gz JCWZZYURMFRSLK-UHFFFAOYSA-N 0 0 394.518 3.113 40 0 GGABRN Cc1c(Cl)cccc1-n1ccc2c(cnc3nc(C(F)(F)F)nn32)c1=O ZINC000038783853 210756885 /nfs/dbraw/zinc/75/68/85/210756885.db2.gz SOOWKAOGDLHAME-UHFFFAOYSA-N 0 0 379.729 3.409 40 0 GGABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2c(C)cccc2C)cc1 ZINC000039986105 210765552 /nfs/dbraw/zinc/76/55/52/210765552.db2.gz DSNCDZMVXTZVDS-UHFFFAOYSA-N 0 0 390.505 3.351 40 0 GGABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc(C)c2C)cc1 ZINC000039986102 210764928 /nfs/dbraw/zinc/76/49/28/210764928.db2.gz BFMQZZZFRKRZHE-UHFFFAOYSA-N 0 0 390.505 3.351 40 0 GGABRN COc1ccccc1/C=c1/sc2nc(/C=C/c3ccc(F)cc3)nn2c1=O ZINC000039835500 210764654 /nfs/dbraw/zinc/76/46/54/210764654.db2.gz AHEABVZAZBZREO-OENGIGCFSA-N 0 0 379.416 3.017 40 0 GGABRN COc1ccc2c(c1)OC1(CCN(C(=O)c3ccc4c(c3)OCO4)CC1)CC2=O ZINC000039226653 210761702 /nfs/dbraw/zinc/76/17/02/210761702.db2.gz FQBPCXURQIIJSA-UHFFFAOYSA-N 0 0 395.411 3.064 40 0 GGABRN COc1ccc(-c2csc(CCNS(=O)(=O)c3ccc(F)cc3)n2)cc1 ZINC000072264880 210745871 /nfs/dbraw/zinc/74/58/71/210745871.db2.gz NYIGTPJTNUZGLU-UHFFFAOYSA-N 0 0 392.477 3.479 40 0 GGABRN O=C(N1CCN(Cc2cccc(F)c2)CC1)C1(c2ccccc2)CCOCC1 ZINC000072264678 210745541 /nfs/dbraw/zinc/74/55/41/210745541.db2.gz NAXJXPUYLOGJDR-UHFFFAOYSA-N 0 0 382.479 3.218 40 0 GGABRN O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000077196620 210749969 /nfs/dbraw/zinc/74/99/69/210749969.db2.gz AQZVJSSRPDMNEP-NSHDSACASA-N 0 0 380.288 3.217 40 0 GGABRN COc1ccc(C(=O)N[C@H]2CCN(Cc3noc(-c4ccccc4)n3)C2)c(C)c1 ZINC000077100822 210748802 /nfs/dbraw/zinc/74/88/02/210748802.db2.gz ILLIJMXXSZGOIH-KRWDZBQOSA-N 0 0 392.459 3.058 40 0 GGABRN O=C(NCCc1nc2c(c(C(F)(F)F)n1)CCCC2)NCc1cccs1 ZINC000077101239 210748570 /nfs/dbraw/zinc/74/85/70/210748570.db2.gz SXHHBTANIWMWOO-UHFFFAOYSA-N 0 0 384.427 3.478 40 0 GGABRN CC(C)CCC[C@@H](C)NC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 ZINC000035485393 210687086 /nfs/dbraw/zinc/68/70/86/210687086.db2.gz VSCTURCAZQLJPI-HAQLJNRYSA-N 0 0 382.504 3.304 40 0 GGABRN CCc1ccccc1NC(=O)c1ccc(S(=O)(=O)NCc2cccnc2)cc1 ZINC000035289231 210678840 /nfs/dbraw/zinc/67/88/40/210678840.db2.gz PXQAHXXMIBYGLJ-UHFFFAOYSA-N 0 0 395.484 3.375 40 0 GGABRN 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Nn1c(=O)c(Nc2ccccc2F)nnc1SCc1ccc(Cl)cc1 ZINC000028535486 210528004 /nfs/dbraw/zinc/52/80/04/210528004.db2.gz BBMNPLBHWLZKSB-UHFFFAOYSA-N 0 0 377.832 3.181 40 0 GGABRN Cc1cc(=O)oc2ccc(OCC(=O)NCCOc3cccc(Cl)c3)cc12 ZINC000040113603 210527275 /nfs/dbraw/zinc/52/72/75/210527275.db2.gz QSCVQBRVUMNEHA-UHFFFAOYSA-N 0 0 387.819 3.329 40 0 GGABRN Cc1ccc2c(c1)C(=O)N(CCC(=O)N[C@@H](C)Cc1ccccc1Cl)C2=O ZINC000040112089 210526213 /nfs/dbraw/zinc/52/62/13/210526213.db2.gz ZQDGBNNQFWGBIL-AWEZNQCLSA-N 0 0 384.863 3.382 40 0 GGABRN C[C@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000040073676 210523653 /nfs/dbraw/zinc/52/36/53/210523653.db2.gz ZKJOTYHMOJUVIA-ONGXEEELSA-N 0 0 393.203 3.037 40 0 GGABRN NC(=O)Nc1ccc(CNC(=O)c2ccccc2C(=O)c2ccc(F)cc2)cc1 ZINC000040052485 210523745 /nfs/dbraw/zinc/52/37/45/210523745.db2.gz HYZXAQUCEGXMEL-UHFFFAOYSA-N 0 0 391.402 3.477 40 0 GGABRN Cc1ccc(SCCNC(=O)C[C@@H](NC(N)=O)c2ccccc2F)cc1C ZINC000040069162 210523752 /nfs/dbraw/zinc/52/37/52/210523752.db2.gz RHCDOXILKGAPFO-GOSISDBHSA-N 0 0 389.496 3.451 40 0 GGABRN COC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000040058691 210523127 /nfs/dbraw/zinc/52/31/27/210523127.db2.gz WXUADOAQUFHYLT-UHFFFAOYSA-N 0 0 389.404 3.351 40 0 GGABRN NC(=O)N[C@H](CC(=O)Nc1cc(F)cc(F)c1)c1ccc(Br)cc1 ZINC000040069416 210523236 /nfs/dbraw/zinc/52/32/36/210523236.db2.gz HZYWTMKYTTZVIU-CQSZACIVSA-N 0 0 398.207 3.466 40 0 GGABRN CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1 ZINC000040058328 210523001 /nfs/dbraw/zinc/52/30/01/210523001.db2.gz OMWRNSKVHMMXDC-HNNXBMFYSA-N 0 0 386.473 3.416 40 0 GGABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cccc(Cl)c1 ZINC000225871052 533037727 /nfs/dbraw/zinc/03/77/27/533037727.db2.gz QOOBEMFACMFZJW-UHFFFAOYSA-N 0 0 396.896 3.170 40 0 GGABRN NS(=O)(=O)c1ccc(NC(=O)CCSCc2ccc(Cl)cc2)cc1 ZINC000027183556 210512253 /nfs/dbraw/zinc/51/22/53/210512253.db2.gz KECFFDPHAPDENY-UHFFFAOYSA-N 0 0 384.910 3.249 40 0 GGABRN Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCc1cc(=O)n2ccsc2n1 ZINC000039514095 210519184 /nfs/dbraw/zinc/51/91/84/210519184.db2.gz KXUWNALYSSGSOA-LLVKDONJSA-N 0 0 378.837 3.229 40 0 GGABRN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1NC(=O)c1ccccc1 ZINC000408557536 533044749 /nfs/dbraw/zinc/04/47/49/533044749.db2.gz NKFMVCZAAZAHPF-UHFFFAOYSA-N 0 0 388.489 3.368 40 0 GGABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC(C(C)C)C(C)C ZINC000408703606 533044282 /nfs/dbraw/zinc/04/42/82/533044282.db2.gz UPKAFPQZLKSTON-UHFFFAOYSA-N 0 0 396.553 3.280 40 0 GGABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc(C)c1C ZINC000408701797 533044288 /nfs/dbraw/zinc/04/42/88/533044288.db2.gz FXQRLUYIJSLUNK-UHFFFAOYSA-N 0 0 388.489 3.349 40 0 GGABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1C(=O)N1CCCCCC1 ZINC000010541668 533046183 /nfs/dbraw/zinc/04/61/83/533046183.db2.gz ZXDKQODOKZUNLV-MRXNPFEDSA-N 0 0 394.537 3.132 40 0 GGABRN COc1cc(OC)c(OC)cc1/C=C1/C(=O)N(c2ccccc2)C(=S)N1C ZINC000409034354 533049838 /nfs/dbraw/zinc/04/98/38/533049838.db2.gz HIYCWSRIRKMKRJ-GDNBJRDFSA-N 0 0 384.457 3.317 40 0 GGABRN COCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(F)cc1 ZINC000025165735 210480008 /nfs/dbraw/zinc/48/00/08/210480008.db2.gz MFETYBQPHQHRRK-UHFFFAOYSA-N 0 0 376.453 3.074 40 0 GGABRN O=C(CSc1nnc2ccc(C(F)(F)F)cn21)c1ccc2c(c1)OCO2 ZINC000024141739 210460125 /nfs/dbraw/zinc/46/01/25/210460125.db2.gz QGWRCRLSOPNFBH-UHFFFAOYSA-N 0 0 381.335 3.452 40 0 GGABRN C[C@H]1CCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)c2ccccc2S1 ZINC000024585419 210465984 /nfs/dbraw/zinc/46/59/84/210465984.db2.gz WAULUXHPWFOAHI-AWEZNQCLSA-N 0 0 387.505 3.159 40 0 GGABRN COc1ccc(F)cc1CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000024385653 210463233 /nfs/dbraw/zinc/46/32/33/210463233.db2.gz GHZKSDRKWNOXQO-UHFFFAOYSA-N 0 0 381.451 3.203 40 0 GGABRN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)Nc2cccc(C(C)C)c2)c1 ZINC000023244454 210438732 /nfs/dbraw/zinc/43/87/32/210438732.db2.gz MMNLSBPXVZDNNA-UHFFFAOYSA-N 0 0 388.489 3.320 40 0 GGABRN Cc1ccccc1CC(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000023143603 210436709 /nfs/dbraw/zinc/43/67/09/210436709.db2.gz WYSUZSNSJVNUQV-UHFFFAOYSA-N 0 0 375.266 3.363 40 0 GGABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(C)C)cc1 ZINC000023714918 210452423 /nfs/dbraw/zinc/45/24/23/210452423.db2.gz KAYRXHDUVVVYKV-UHFFFAOYSA-N 0 0 376.478 3.078 40 0 GGABRN COc1ccc(OC)c(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c1 ZINC000023690248 210452347 /nfs/dbraw/zinc/45/23/47/210452347.db2.gz KUYKRVUOQORHSR-UHFFFAOYSA-N 0 0 381.432 3.059 40 0 GGABRN CC(C)c1ccc(-c2noc(CN3C(=O)c4ccccc4S3(=O)=O)n2)cc1 ZINC000022703586 210420185 /nfs/dbraw/zinc/42/01/85/210420185.db2.gz ZRXYKJLGSOACAB-UHFFFAOYSA-N 0 0 383.429 3.205 40 0 GGABRN COc1ccc(S(=O)(=O)NCC(C)C)cc1NC(=O)c1ccc(C)cc1 ZINC000408555139 533057661 /nfs/dbraw/zinc/05/76/61/533057661.db2.gz DTXAYKKBANZDOM-UHFFFAOYSA-N 0 0 376.478 3.190 40 0 GGABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1OC ZINC000022960073 210430245 /nfs/dbraw/zinc/43/02/45/210430245.db2.gz KMWFPGKUDPKHOH-UHFFFAOYSA-N 0 0 392.477 3.033 40 0 GGABRN COC(=O)c1ccc(CS(=O)(=O)NCCSCc2ccc(C)cc2)cc1 ZINC000022513556 210414904 /nfs/dbraw/zinc/41/49/04/210414904.db2.gz AQSNIUGKNPJSBS-UHFFFAOYSA-N 0 0 393.530 3.134 40 0 GGABRN O=C(COC(=O)c1ccccc1Br)NCC1(c2ccccc2)CC1 ZINC000022472210 210413908 /nfs/dbraw/zinc/41/39/08/210413908.db2.gz WLCFDZMFUTVLGU-UHFFFAOYSA-N 0 0 388.261 3.454 40 0 GGABRN Cc1cc(C)c(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2CCC(N)=O)cc1C ZINC000022407277 210413052 /nfs/dbraw/zinc/41/30/52/210413052.db2.gz MEOZUFPFLFUZPG-CQSZACIVSA-N 0 0 386.521 3.320 40 0 GGABRN CCCOc1ccc(N(CC(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)cc1 ZINC000022377935 210413097 /nfs/dbraw/zinc/41/30/97/210413097.db2.gz ISFNCUUEIXUMCG-MRXNPFEDSA-N 0 0 390.505 3.119 40 0 GGABRN CCCOc1ccc(N(CC(=O)NCCC2=CCCCC2)S(C)(=O)=O)cc1 ZINC000022389266 210412729 /nfs/dbraw/zinc/41/27/29/210412729.db2.gz RRFRHQGYXDEBGO-UHFFFAOYSA-N 0 0 394.537 3.248 40 0 GGABRN Cc1cc(C)c(N(CC(=O)NCCCc2ccccc2)S(C)(=O)=O)c(C)c1 ZINC000022394377 210412801 /nfs/dbraw/zinc/41/28/01/210412801.db2.gz ZYYUNNRAJGDKKL-UHFFFAOYSA-N 0 0 388.533 3.127 40 0 GGABRN CCOc1cccc(N(CC(=O)Nc2c(C)cccc2C)S(C)(=O)=O)c1 ZINC000022379408 210412541 /nfs/dbraw/zinc/41/25/41/210412541.db2.gz VLVVBTWUEDIAMY-UHFFFAOYSA-N 0 0 376.478 3.107 40 0 GGABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1C ZINC000022387917 210411862 /nfs/dbraw/zinc/41/18/62/210411862.db2.gz UIQVYVRADOKZME-UHFFFAOYSA-N 0 0 383.517 3.262 40 0 GGABRN CCCOc1ccc(N(CC(=O)Nc2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000022379448 210411772 /nfs/dbraw/zinc/41/17/72/210411772.db2.gz SFQZLBVXCBXDKD-UHFFFAOYSA-N 0 0 390.505 3.497 40 0 GGABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c(C)c1 ZINC000022335417 210411382 /nfs/dbraw/zinc/41/13/82/210411382.db2.gz LRYSWCSUGWZGBC-OAHLLOKOSA-N 0 0 378.469 3.086 40 0 GGABRN CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1ccccc1Cl ZINC000022330743 210410960 /nfs/dbraw/zinc/41/09/60/210410960.db2.gz KJEZROFDBGDDIK-QGZVFWFLSA-N 0 0 392.908 3.300 40 0 GGABRN CCc1cccc(CC)c1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1OC ZINC000022251646 210409221 /nfs/dbraw/zinc/40/92/21/210409221.db2.gz RFNDCVWXVILVCO-UHFFFAOYSA-N 0 0 390.505 3.468 40 0 GGABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(Cl)ccn3)C2)cc1 ZINC000022258736 210408968 /nfs/dbraw/zinc/40/89/68/210408968.db2.gz OGJIGMOQDAZULZ-AWEZNQCLSA-N 0 0 393.896 3.083 40 0 GGABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2C)c1 ZINC000022229704 210407283 /nfs/dbraw/zinc/40/72/83/210407283.db2.gz GAMOCYAIGJQEEA-SFHVURJKSA-N 0 0 388.489 3.104 40 0 GGABRN CCc1cccc(CC)c1NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000022230769 210407066 /nfs/dbraw/zinc/40/70/66/210407066.db2.gz SBWGVSUPEDJEDM-UHFFFAOYSA-N 0 0 390.505 3.225 40 0 GGABRN Cn1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)c2cc(F)ccc21 ZINC000022236420 210406880 /nfs/dbraw/zinc/40/68/80/210406880.db2.gz BAAMTKYTJGBPLP-UHFFFAOYSA-N 0 0 399.853 3.293 40 0 GGABRN COc1ccc(CN2CCN([C@H](C)C(=O)Nc3ccc(C)cc3)CC2)cc1OC ZINC000022095578 210405688 /nfs/dbraw/zinc/40/56/88/210405688.db2.gz CHSAYDBKVNWUEY-GOSISDBHSA-N 0 0 397.519 3.157 40 0 GGABRN O=C(c1cccc(OCc2ccc(F)cc2)c1)N1CCN(c2ncccn2)CC1 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/nfs/dbraw/zinc/37/84/16/210378416.db2.gz GBLASSHZCTZQJS-LLVKDONJSA-N 0 0 390.281 3.078 40 0 GGABRN CC(C)c1nnc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)s1 ZINC000021477062 210382159 /nfs/dbraw/zinc/38/21/59/210382159.db2.gz BYPITYLHHZHSAG-UHFFFAOYSA-N 0 0 379.507 3.387 40 0 GGABRN COc1cc(OC)cc(C(=O)NC(=S)Nc2c3nsnc3ccc2C)c1 ZINC000408572133 533065316 /nfs/dbraw/zinc/06/53/16/533065316.db2.gz GXOVKAKXIUNQGP-UHFFFAOYSA-N 0 0 388.474 3.144 40 0 GGABRN NC(=O)NCc1ccc(C(=O)OCc2ccc(F)cc2Br)cc1 ZINC000021474825 210381243 /nfs/dbraw/zinc/38/12/43/210381243.db2.gz ZRLSACHPWFKARG-UHFFFAOYSA-N 0 0 381.201 3.114 40 0 GGABRN COc1ccc(C(=O)Nc2nn3c(nnc3-c3cccc(C)c3)s2)cc1OC ZINC000020902144 210368681 /nfs/dbraw/zinc/36/86/81/210368681.db2.gz LSIPTZXRURRSJH-UHFFFAOYSA-N 0 0 395.444 3.431 40 0 GGABRN CCCCN1c2nc3ccccc3n2[C@@H](c2ccncc2)[C@H](C(=O)OCC)C1=O ZINC000020675436 210356160 /nfs/dbraw/zinc/35/61/60/210356160.db2.gz TXIRXMCMRCNZLT-OALUTQOASA-N 0 0 392.459 3.347 40 0 GGABRN CCCCN1c2nc3ccccc3n2[C@H](c2ccncc2)[C@@H](C(=O)OCC)C1=O ZINC000020675433 210355802 /nfs/dbraw/zinc/35/58/02/210355802.db2.gz TXIRXMCMRCNZLT-RTBURBONSA-N 0 0 392.459 3.347 40 0 GGABRN CCc1nn2c(nnc(C(=O)OC)c2C)c1-c1ccc(Br)cc1 ZINC000020797685 210363405 /nfs/dbraw/zinc/36/34/05/210363405.db2.gz QYWKAVKKPUUDPP-UHFFFAOYSA-N 0 0 375.226 3.211 40 0 GGABRN COC(=O)c1ccccc1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000020836749 210362690 /nfs/dbraw/zinc/36/26/90/210362690.db2.gz RPSCUNLEGPVMCB-UHFFFAOYSA-N 0 0 399.406 3.425 40 0 GGABRN CC1(C)CC(=O)c2cnc(NC(=O)CSc3nc4ccccc4[nH]3)nc2C1 ZINC000020633865 210354120 /nfs/dbraw/zinc/35/41/20/210354120.db2.gz XSNRLRMMWSUGFV-UHFFFAOYSA-N 0 0 381.461 3.239 40 0 GGABRN CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1cccc(OCC)c1 ZINC000020637514 210354018 /nfs/dbraw/zinc/35/40/18/210354018.db2.gz ZRGZZLYQOOZQDA-ZWKOTPCHSA-N 0 0 379.416 3.156 40 0 GGABRN CCOc1cccc2c(C)nc(NC3=NCN(Cc4ccc(C)cc4)CN3)nc12 ZINC000020634247 210353399 /nfs/dbraw/zinc/35/33/99/210353399.db2.gz GNZLJUOSOMGCAY-UHFFFAOYSA-N 0 0 390.491 3.434 40 0 GGABRN CN1CCN(N2CN(CCC3=CCCCC3)Cn3c4ccccc4nc32)CC1 ZINC000020637260 210353302 /nfs/dbraw/zinc/35/33/02/210353302.db2.gz XHVNOBBCZBFUAH-UHFFFAOYSA-N 0 0 380.540 3.126 40 0 GGABRN Cc1nnc2sc(-c3cccc(NC(=O)COc4ccccc4F)c3)nn12 ZINC000020609601 210352854 /nfs/dbraw/zinc/35/28/54/210352854.db2.gz LNBUDSCCZXPNAM-UHFFFAOYSA-N 0 0 383.408 3.318 40 0 GGABRN Cc1nnc2sc(-c3cccc(NC(=O)c4ccc5c(c4)OCO5)c3)nn12 ZINC000020609592 210352507 /nfs/dbraw/zinc/35/25/07/210352507.db2.gz SVJSXJATTIAKEL-UHFFFAOYSA-N 0 0 379.401 3.142 40 0 GGABRN CCOC(=O)CCc1c(C)nc(Nc2nc(C)c3cc(C)c(C)cc3n2)[nH]c1=O ZINC000020673215 210355424 /nfs/dbraw/zinc/35/54/24/210355424.db2.gz GDGWGZMMMOQGHV-UHFFFAOYSA-N 0 0 395.463 3.186 40 0 GGABRN COc1ccccc1CN1CN=C(Nc2nc(C)c3cc(C)c(C)cc3n2)NC1 ZINC000020634207 210354239 /nfs/dbraw/zinc/35/42/39/210354239.db2.gz NBMBIRHSUUBXAE-UHFFFAOYSA-N 0 0 390.491 3.352 40 0 GGABRN Cc1nc(NC(=O)C=Cc2ccc3c(c2)OCO3)nc2c1C(=O)CC(C)(C)C2 ZINC000020633896 210354329 /nfs/dbraw/zinc/35/43/29/210354329.db2.gz WDWHWOGSPRLVCA-FNORWQNLSA-N 0 0 379.416 3.321 40 0 GGABRN COCCOC(=O)c1nnc2c(-c3cccc4ccccc43)c(C)nn2c1C ZINC000020633656 210354422 /nfs/dbraw/zinc/35/44/22/210354422.db2.gz JTINSVVEULENEE-UHFFFAOYSA-N 0 0 376.416 3.365 40 0 GGABRN O=C(COCc1cc(-c2ccc(F)cc2)on1)N1CCN(c2ccccc2)CC1 ZINC000020523136 210342742 /nfs/dbraw/zinc/34/27/42/210342742.db2.gz KAOOIOAZPDLAPL-UHFFFAOYSA-N 0 0 395.434 3.346 40 0 GGABRN CS(=O)(=O)Nc1ccc(C(=O)NCCSc2ccccc2)cc1Cl ZINC000020489637 210342207 /nfs/dbraw/zinc/34/22/07/210342207.db2.gz OEHHIRQTDLRFAF-UHFFFAOYSA-N 0 0 384.910 3.234 40 0 GGABRN CC[C@@H](C(=O)NCc1ccc(F)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000020491422 210341851 /nfs/dbraw/zinc/34/18/51/210341851.db2.gz DRRHGMLJRGHBFS-IBGZPJMESA-N 0 0 392.496 3.304 40 0 GGABRN CC[C@@H](C(=O)N(C)Cc1ccc(C)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000020490102 210341625 /nfs/dbraw/zinc/34/16/25/210341625.db2.gz BLQYJHLLABRLRH-IBGZPJMESA-N 0 0 392.496 3.337 40 0 GGABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000020493326 210341674 /nfs/dbraw/zinc/34/16/74/210341674.db2.gz VLAVXBGOSYUIEB-QGZVFWFLSA-N 0 0 392.546 3.416 40 0 GGABRN O=C1CCCN1c1ccc(S(=O)(=O)NCCSCc2ccccc2)cc1 ZINC000020489209 210341684 /nfs/dbraw/zinc/34/16/84/210341684.db2.gz BMTKYJREJAEMBZ-UHFFFAOYSA-N 0 0 390.530 3.025 40 0 GGABRN CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000020489523 210341558 /nfs/dbraw/zinc/34/15/58/210341558.db2.gz DIJREIIOTLGQLF-QGZVFWFLSA-N 0 0 385.416 3.364 40 0 GGABRN Cc1cc(S(=O)(=O)N[C@H]2CCCc3ccccc32)ccc1N1CCCC1=O ZINC000020492285 210341590 /nfs/dbraw/zinc/34/15/90/210341590.db2.gz JWZLBSFUPZRZNK-IBGZPJMESA-N 0 0 384.501 3.478 40 0 GGABRN COCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000020493782 210341087 /nfs/dbraw/zinc/34/10/87/210341087.db2.gz MQUKSHAFYYLTLJ-UHFFFAOYSA-N 0 0 396.896 3.216 40 0 GGABRN CC(C)C[C@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccccc1 ZINC000020495387 210341269 /nfs/dbraw/zinc/34/12/69/210341269.db2.gz GLMAFTIPGCELKI-IBGZPJMESA-N 0 0 392.496 3.495 40 0 GGABRN CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1cccc(Cl)c1 ZINC000020491563 210340963 /nfs/dbraw/zinc/34/09/63/210340963.db2.gz MIHWZNQQIXVXRN-GOSISDBHSA-N 0 0 392.908 3.300 40 0 GGABRN Cc1cccc(C)c1N(CC(=O)N[C@H]1CCCc2ccccc21)S(C)(=O)=O ZINC000020485853 210340523 /nfs/dbraw/zinc/34/05/23/210340523.db2.gz XTIQXANLKNTEDU-IBGZPJMESA-N 0 0 386.517 3.263 40 0 GGABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000020483954 210340305 /nfs/dbraw/zinc/34/03/05/210340305.db2.gz FDJWDBSJTNYHKN-UHFFFAOYSA-N 0 0 379.460 3.201 40 0 GGABRN COc1ccc(-c2nnc3sc(NC(=O)COc4ccccc4C)nn32)cc1 ZINC000020486565 210340359 /nfs/dbraw/zinc/34/03/59/210340359.db2.gz RXICRTRWKCOHEM-UHFFFAOYSA-N 0 0 395.444 3.187 40 0 GGABRN Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)ccc1N1CCCC1=O ZINC000020486652 210340416 /nfs/dbraw/zinc/34/04/16/210340416.db2.gz OWBIHNCVLUTCNR-AWEZNQCLSA-N 0 0 376.453 3.300 40 0 GGABRN CN(C(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)C1CCCCC1 ZINC000020485110 210340439 /nfs/dbraw/zinc/34/04/39/210340439.db2.gz MYZVIJSLHKQNOR-UHFFFAOYSA-N 0 0 396.528 3.159 40 0 GGABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000020483809 210340483 /nfs/dbraw/zinc/34/04/83/210340483.db2.gz LLSMCPUXGIGFDC-INIZCTEOSA-N 0 0 379.460 3.453 40 0 GGABRN O=C(NCc1ccc(Cl)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000020483385 210340196 /nfs/dbraw/zinc/34/01/96/210340196.db2.gz AIKXHDGNKLWPHQ-UHFFFAOYSA-N 0 0 392.908 3.196 40 0 GGABRN COC(=O)c1cc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc(C(=O)OC)c1 ZINC000020484028 210340242 /nfs/dbraw/zinc/34/02/42/210340242.db2.gz FWJMSFSGYNFDPW-CQSZACIVSA-N 0 0 385.416 3.283 40 0 GGABRN CCc1ccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000020485569 210340079 /nfs/dbraw/zinc/34/00/79/210340079.db2.gz DEZJIXCIWMWFSS-CQSZACIVSA-N 0 0 378.469 3.032 40 0 GGABRN CCc1ccc(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000020485567 210339817 /nfs/dbraw/zinc/33/98/17/210339817.db2.gz DEZJIXCIWMWFSS-AWEZNQCLSA-N 0 0 378.469 3.032 40 0 GGABRN CCNC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N(CC)CC)[C@H](O)[C@H]2[C@@H]1C ZINC000020467300 210339599 /nfs/dbraw/zinc/33/95/99/210339599.db2.gz NDGFAXBERKKHMQ-CUALPGCMSA-N 0 0 395.588 3.002 40 0 biogenic,in-vitro GGABRN Cc1ccc(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000020488419 210339728 /nfs/dbraw/zinc/33/97/28/210339728.db2.gz UGBMOHSDMXAHFM-UHFFFAOYSA-N 0 0 386.517 3.341 40 0 GGABRN CN(C(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)C1CCCC1 ZINC000020483572 210339422 /nfs/dbraw/zinc/33/94/22/210339422.db2.gz ABEWTBVGYQKUHK-IBGZPJMESA-N 0 0 392.565 3.062 40 0 GGABRN CC(C)C(NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1)C(C)C ZINC000020488511 210339186 /nfs/dbraw/zinc/33/91/86/210339186.db2.gz YGPKXTJSKJHCSZ-UHFFFAOYSA-N 0 0 380.554 3.413 40 0 GGABRN CN(C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)C1CCCC1 ZINC000020456659 210338640 /nfs/dbraw/zinc/33/86/40/210338640.db2.gz LSKSZHAKBBTLGD-UHFFFAOYSA-N 0 0 390.480 3.422 40 0 GGABRN CCOC(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 ZINC000020455787 210338732 /nfs/dbraw/zinc/33/87/32/210338732.db2.gz BMXPUWXKLILQOM-UHFFFAOYSA-N 0 0 396.852 3.141 40 0 GGABRN CC[C@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000020460566 210338764 /nfs/dbraw/zinc/33/87/64/210338764.db2.gz UVSVHSMCZVEMIZ-SFHVURJKSA-N 0 0 378.469 3.168 40 0 GGABRN CS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)c1ccc(Cl)cc1 ZINC000020457704 210338419 /nfs/dbraw/zinc/33/84/19/210338419.db2.gz VOKBSCAFYPRZCO-SFHVURJKSA-N 0 0 392.908 3.300 40 0 GGABRN CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccc(C)cc1 ZINC000020459681 210338242 /nfs/dbraw/zinc/33/82/42/210338242.db2.gz CBAOGNYOCUCCBK-LJQANCHMSA-N 0 0 389.521 3.119 40 0 GGABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCN(c2ccccc2OC)CC1 ZINC000020460901 210338170 /nfs/dbraw/zinc/33/81/70/210338170.db2.gz HRICGXMVLQLPFK-HXUWFJFHSA-N 0 0 384.476 3.210 40 0 GGABRN Cc1ccc(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1 ZINC000020456337 210337856 /nfs/dbraw/zinc/33/78/56/210337856.db2.gz PACYKAAPCUZYRD-UHFFFAOYSA-N 0 0 394.924 3.381 40 0 GGABRN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000020456532 210337514 /nfs/dbraw/zinc/33/75/14/210337514.db2.gz XZFFGQWBPWQBRO-GOSISDBHSA-N 0 0 385.416 3.364 40 0 GGABRN COc1ccc(CCCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 ZINC000020462576 210337601 /nfs/dbraw/zinc/33/76/01/210337601.db2.gz JISLCWKVLUNWHG-UHFFFAOYSA-N 0 0 396.896 3.083 40 0 GGABRN C[C@@H]1Cc2cc(C(=O)NC(C)(C)C)ccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000020449335 210336577 /nfs/dbraw/zinc/33/65/77/210336577.db2.gz FXJSROPRZQWCMI-CYBMUJFWSA-N 0 0 390.480 3.494 40 0 GGABRN CC(C)c1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000020453287 210336335 /nfs/dbraw/zinc/33/63/35/210336335.db2.gz WNSDBZPMLCUOCQ-UHFFFAOYSA-N 0 0 393.484 3.201 40 0 GGABRN CCOc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)CC ZINC000020449109 210336204 /nfs/dbraw/zinc/33/62/04/210336204.db2.gz RJKCSMVUWNXDNP-CQSZACIVSA-N 0 0 388.489 3.438 40 0 GGABRN COc1cccc(N2CCN(c3nc(C)c4c(n3)CC(C)(C)CC4=O)CC2)c1 ZINC000020343692 210330040 /nfs/dbraw/zinc/33/00/40/210330040.db2.gz OPJYDVDBIQCDEV-UHFFFAOYSA-N 0 0 380.492 3.275 40 0 GGABRN CC(=O)N1c2ccccc2[C@H](C=C2SC(=O)N(c3cccc(O)c3)C2=O)C1=O ZINC000020227433 210324975 /nfs/dbraw/zinc/32/49/75/210324975.db2.gz ZPHZRAFBDNMWME-HAKPAVFJSA-N 0 0 394.408 3.153 40 0 GGABRN CCn1c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2n(CC)c1=O ZINC000020215026 210324096 /nfs/dbraw/zinc/32/40/96/210324096.db2.gz ASLDXRIOKAXPBT-UHFFFAOYSA-N 0 0 379.869 3.297 40 0 GGABRN Cc1ccc(Cl)cc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 ZINC000020245635 210323875 /nfs/dbraw/zinc/32/38/75/210323875.db2.gz GIRFXDAZZNOLKH-UHFFFAOYSA-N 0 0 381.885 3.143 40 0 GGABRN Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1Cl ZINC000020245639 210323507 /nfs/dbraw/zinc/32/35/07/210323507.db2.gz UOOIHSXIMNUMGJ-UHFFFAOYSA-N 0 0 381.885 3.143 40 0 GGABRN COc1ccc(CCCNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 ZINC000020450928 210336014 /nfs/dbraw/zinc/33/60/14/210336014.db2.gz PXWMXNGHDMXNSF-UHFFFAOYSA-N 0 0 396.896 3.083 40 0 GGABRN Cc1cc(Cl)ccc1NC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1 ZINC000020449916 210335592 /nfs/dbraw/zinc/33/55/92/210335592.db2.gz ONCMYCAMTGATLP-VQHVLOKHSA-N 0 0 382.869 3.285 40 0 GGABRN Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1 ZINC000020449918 210335612 /nfs/dbraw/zinc/33/56/12/210335612.db2.gz RIMXVPNTSGQPOS-CMDGGOBGSA-N 0 0 382.869 3.285 40 0 GGABRN CCCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(F)cc1 ZINC000020449318 210335568 /nfs/dbraw/zinc/33/55/68/210335568.db2.gz BXUDDXHNUJCKGZ-AWEZNQCLSA-N 0 0 390.480 3.496 40 0 GGABRN CC[C@@H](C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(F)cc1 ZINC000020449330 210335426 /nfs/dbraw/zinc/33/54/26/210335426.db2.gz KOPIRWCHSQJQTH-KGLIPLIRSA-N 0 0 390.480 3.494 40 0 GGABRN CSc1cccc(NC(=O)/C=C/c2ccc(CN(C)S(C)(=O)=O)o2)c1 ZINC000020449998 210335309 /nfs/dbraw/zinc/33/53/09/210335309.db2.gz LLZPXRHIHFZMIW-MDZDMXLPSA-N 0 0 380.491 3.045 40 0 GGABRN CCOC(=O)c1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl ZINC000020451008 210335323 /nfs/dbraw/zinc/33/53/23/210335323.db2.gz ITHGIDYCKZGNIN-UHFFFAOYSA-N 0 0 396.852 3.141 40 0 GGABRN CCOC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)ccc1Cl ZINC000020453853 210335088 /nfs/dbraw/zinc/33/50/88/210335088.db2.gz ZZJGCLJTLXQDSS-UHFFFAOYSA-N 0 0 397.836 3.089 40 0 GGABRN O=C(CSCc1ccc(Cl)c(Cl)c1)NCCCN1CCOCC1 ZINC000020454839 210335114 /nfs/dbraw/zinc/33/51/14/210335114.db2.gz OBJFLAQNHJASPZ-UHFFFAOYSA-N 0 0 377.337 3.065 40 0 GGABRN CC[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1ccccc1)S(C)(=O)=O ZINC000020451483 210334894 /nfs/dbraw/zinc/33/48/94/210334894.db2.gz CNIPMEHEZTUFAF-UXHICEINSA-N 0 0 386.517 3.425 40 0 GGABRN CCc1ccccc1O[C@@H](C)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020453675 210334815 /nfs/dbraw/zinc/33/48/15/210334815.db2.gz YPUPSGCGVPFVRG-KRWDZBQOSA-N 0 0 396.487 3.089 40 0 GGABRN C[C@H]1Cc2cc(C(=O)NC3CC3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448402 210334520 /nfs/dbraw/zinc/33/45/20/210334520.db2.gz 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CC(C)n1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@H](/C=C/c1ccccc1)C3 ZINC000019962296 210310528 /nfs/dbraw/zinc/31/05/28/210310528.db2.gz SSOPIEGOCYEXGW-XVJNWHFHSA-N 0 0 375.428 3.124 40 0 GGABRN CCN(CC(=O)Nc1cc(F)ccc1C)S(=O)(=O)c1cc(C)ccc1OC ZINC000020014821 210310186 /nfs/dbraw/zinc/31/01/86/210310186.db2.gz VJVMOWNFDFOOFL-UHFFFAOYSA-N 0 0 394.468 3.100 40 0 GGABRN Cn1c2cc(NC(=O)c3ccccc3F)c(N3CCCCC3)cc2n(C)c1=O ZINC000020178393 210320765 /nfs/dbraw/zinc/32/07/65/210320765.db2.gz PLFNGUIQCUOGIP-UHFFFAOYSA-N 0 0 382.439 3.259 40 0 GGABRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c(C)c1 ZINC000020112162 210318778 /nfs/dbraw/zinc/31/87/78/210318778.db2.gz XGSCNIJQVCZIQZ-CVEARBPZSA-N 0 0 392.496 3.474 40 0 GGABRN COCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(OC)cc1 ZINC000020111299 210318324 /nfs/dbraw/zinc/31/83/24/210318324.db2.gz ZOXNSBJYEXFDKL-CQSZACIVSA-N 0 0 388.489 3.191 40 0 GGABRN CCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(F)c2)cc1OCC ZINC000020110971 210317780 /nfs/dbraw/zinc/31/77/80/210317780.db2.gz BESWFNFVDVULPL-UHFFFAOYSA-N 0 0 383.441 3.110 40 0 GGABRN CCOC(=O)c1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)c(C)c1 ZINC000020106935 210316896 /nfs/dbraw/zinc/31/68/96/210316896.db2.gz IJKQLONDIFRZHS-UHFFFAOYSA-N 0 0 382.460 3.256 40 0 GGABRN Cc1cccc(CCCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1 ZINC000020104217 210316230 /nfs/dbraw/zinc/31/62/30/210316230.db2.gz TYVCZVJHOAYSFH-UHFFFAOYSA-N 0 0 380.897 3.383 40 0 GGABRN CC[C@@H](NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000020110404 210315897 /nfs/dbraw/zinc/31/58/97/210315897.db2.gz ABRSLYORSJPBMZ-HNAYVOBHSA-N 0 0 390.505 3.117 40 0 GGABRN CC[C@@H](NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000020110402 210316026 /nfs/dbraw/zinc/31/60/26/210316026.db2.gz ABRSLYORSJPBMZ-DNVCBOLYSA-N 0 0 390.505 3.117 40 0 GGABRN CC[C@@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(C)cc1 ZINC000020104301 210315753 /nfs/dbraw/zinc/31/57/53/210315753.db2.gz ZKWMNBRFSWLOLO-QGZVFWFLSA-N 0 0 378.469 3.168 40 0 GGABRN CC[C@H](NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000020110403 210315561 /nfs/dbraw/zinc/31/55/61/210315561.db2.gz ABRSLYORSJPBMZ-BEFAXECRSA-N 0 0 390.505 3.117 40 0 GGABRN Cc1ccc(CCCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 ZINC000020110159 210315596 /nfs/dbraw/zinc/31/55/96/210315596.db2.gz LRTQBJRRJJTBAP-UHFFFAOYSA-N 0 0 380.897 3.383 40 0 GGABRN CC[C@@H](NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000020050893 210315144 /nfs/dbraw/zinc/31/51/44/210315144.db2.gz LFDLNWVUTIKWLX-GOSISDBHSA-N 0 0 390.505 3.037 40 0 GGABRN Cc1ccccc1CNC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O ZINC000020063011 210315227 /nfs/dbraw/zinc/31/52/27/210315227.db2.gz MIWKINZXYIWNSU-UHFFFAOYSA-N 0 0 392.480 3.487 40 0 GGABRN COC(=O)c1cc(NC(=O)c2cccc(CN3CCOCC3)c2)ccc1Cl ZINC000020046315 210315267 /nfs/dbraw/zinc/31/52/67/210315267.db2.gz MXCKDSRBIXJJMA-UHFFFAOYSA-N 0 0 388.851 3.211 40 0 GGABRN CCOc1ccc([C@H](C)NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000020048503 210314948 /nfs/dbraw/zinc/31/49/48/210314948.db2.gz BKMVHIGIIZSCMW-INIZCTEOSA-N 0 0 390.505 3.037 40 0 GGABRN Cc1ccc(CN(C)C(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000020047012 210314973 /nfs/dbraw/zinc/31/49/73/210314973.db2.gz XBAHGENBZYMIMI-GOSISDBHSA-N 0 0 388.533 3.425 40 0 GGABRN COc1cccc(NC(=O)COc2ccc(C(=O)OCc3cc(C)on3)cc2)c1 ZINC000020055184 210314986 /nfs/dbraw/zinc/31/49/86/210314986.db2.gz BCQZMVXWKCKDKW-UHFFFAOYSA-N 0 0 396.399 3.366 40 0 GGABRN O=C(NC1CCCCC1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000020046163 210315092 /nfs/dbraw/zinc/31/50/92/210315092.db2.gz VGNOVGYRTXMKPO-LJQANCHMSA-N 0 0 392.565 3.110 40 0 GGABRN Cc1ccc(CNC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)cc1 ZINC000020063012 210314705 /nfs/dbraw/zinc/31/47/05/210314705.db2.gz YDPGSGSJTNFASC-UHFFFAOYSA-N 0 0 392.480 3.487 40 0 GGABRN CCS(=O)(=O)Nc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000020062749 210314543 /nfs/dbraw/zinc/31/45/43/210314543.db2.gz YVTDWYHCDIKBBP-UHFFFAOYSA-N 0 0 398.868 3.371 40 0 GGABRN O=C(CCN1CCOCC1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000020052123 210313960 /nfs/dbraw/zinc/31/39/60/210313960.db2.gz QVUNZUALTBMNRZ-OAHLLOKOSA-N 0 0 375.519 3.210 40 0 GGABRN CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(F)ccc2F)cc1 ZINC000020023570 210313449 /nfs/dbraw/zinc/31/34/49/210313449.db2.gz WVXZROMZLKQSGT-UHFFFAOYSA-N 0 0 396.459 3.470 40 0 GGABRN COC(=O)c1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c1C ZINC000020039489 210313404 /nfs/dbraw/zinc/31/34/04/210313404.db2.gz CNBBRDFBYQGPKR-UHFFFAOYSA-N 0 0 396.852 3.059 40 0 GGABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000020021242 210313113 /nfs/dbraw/zinc/31/31/13/210313113.db2.gz QRHNSJUICZBSNC-UHFFFAOYSA-N 0 0 398.431 3.013 40 0 GGABRN CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(F)cc2)cc1 ZINC000020024153 210313180 /nfs/dbraw/zinc/31/31/80/210313180.db2.gz YGMHEWGNRHOMMF-UHFFFAOYSA-N 0 0 392.496 3.152 40 0 GGABRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2C)cc1 ZINC000020019663 210312864 /nfs/dbraw/zinc/31/28/64/210312864.db2.gz FZJPJKKUJVRGGS-AWEZNQCLSA-N 0 0 394.468 3.228 40 0 GGABRN CCC(=O)Nc1cc(S(=O)(=O)N[C@@H](C)c2ccc(OC)cc2)ccc1OC ZINC000020025226 210312891 /nfs/dbraw/zinc/31/28/91/210312891.db2.gz BSXVZPFCTNCKPF-ZDUSSCGKSA-N 0 0 392.477 3.092 40 0 GGABRN COc1ccccc1[C@H](C)NC(=O)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000020030123 210313069 /nfs/dbraw/zinc/31/30/69/210313069.db2.gz YTENUBKBXNCJGO-LBPRGKRZSA-N 0 0 383.473 3.134 40 0 GGABRN CC[C@H](NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O)c1ccccc1 ZINC000020043025 210312740 /nfs/dbraw/zinc/31/27/40/210312740.db2.gz PYQAQJUFHJENHU-KRWDZBQOSA-N 0 0 390.505 3.037 40 0 GGABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2C)cc1 ZINC000020019660 210312831 /nfs/dbraw/zinc/31/28/31/210312831.db2.gz FZJPJKKUJVRGGS-CQSZACIVSA-N 0 0 394.468 3.228 40 0 GGABRN COc1ccc(CNS(=O)(=O)c2cc(C(C)C)ccc2OC)cc1OC ZINC000020030043 210312420 /nfs/dbraw/zinc/31/24/20/210312420.db2.gz OTHYTGROMLJWMD-UHFFFAOYSA-N 0 0 379.478 3.314 40 0 GGABRN CCC(=O)Nc1cc(S(=O)(=O)N[C@H](C)c2ccc(OC)cc2)ccc1OC ZINC000020025229 210312278 /nfs/dbraw/zinc/31/22/78/210312278.db2.gz BSXVZPFCTNCKPF-CYBMUJFWSA-N 0 0 392.477 3.092 40 0 GGABRN CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020041510 210311892 /nfs/dbraw/zinc/31/18/92/210311892.db2.gz YYGFMBZCLNFURN-HXUWFJFHSA-N 0 0 396.487 3.226 40 0 GGABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(SC)cc2)cc1NC(C)=O ZINC000020025206 210311944 /nfs/dbraw/zinc/31/19/44/210311944.db2.gz LEQOUAUAWODFDP-LBPRGKRZSA-N 0 0 394.518 3.415 40 0 GGABRN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cc(F)ccc2F)c(C)c1 ZINC000020013173 210311249 /nfs/dbraw/zinc/31/12/49/210311249.db2.gz GRMKUSKFAQIHFP-UHFFFAOYSA-N 0 0 382.432 3.149 40 0 GGABRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1F ZINC000020016063 210311330 /nfs/dbraw/zinc/31/13/30/210311330.db2.gz LJXLBVSYZZSNLA-QMMMGPOBSA-N 0 0 392.786 3.063 40 0 GGABRN COc1ccc(-c2c(C)nn3c2ncc2c3ccn(-c3ccncc3)c2=O)cc1 ZINC000019962663 210311108 /nfs/dbraw/zinc/31/11/08/210311108.db2.gz GYXHJSJTTJEXFW-UHFFFAOYSA-N 0 0 383.411 3.412 40 0 GGABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2F)cc1 ZINC000020019649 210311163 /nfs/dbraw/zinc/31/11/63/210311163.db2.gz PCDIEFBQHQGRRA-GFCCVEGCSA-N 0 0 398.431 3.059 40 0 GGABRN C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N)c1ccccc1 ZINC000059795074 533086093 /nfs/dbraw/zinc/08/60/93/533086093.db2.gz SKCNAULSBUWJKO-GFCCVEGCSA-N 0 0 387.896 3.282 40 0 GGABRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1cccc(OC)c1 ZINC000019819037 210300712 /nfs/dbraw/zinc/30/07/12/210300712.db2.gz BJKMGNTXRCDHPX-SFHVURJKSA-N 0 0 394.427 3.134 40 0 GGABRN Cc1c(C(=O)N2CCN(c3ccccc3)CC2)nnc2c(-c3ccccc3)cnn21 ZINC000019816997 210300782 /nfs/dbraw/zinc/30/07/82/210300782.db2.gz VPNREWZTWDIVCX-UHFFFAOYSA-N 0 0 398.470 3.062 40 0 GGABRN O=C(C[C@@H]1N=C(Nc2nc(-c3ccccc3)cs2)NC1=O)Nc1ccccc1 ZINC000019819621 210300159 /nfs/dbraw/zinc/30/01/59/210300159.db2.gz OHEUFXUTIKKFDQ-HNNXBMFYSA-N 0 0 391.456 3.105 40 0 GGABRN CCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(OC)cc1OC)C3 ZINC000019816968 210299778 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CSc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000019930712 210309128 /nfs/dbraw/zinc/30/91/28/210309128.db2.gz FHEVSBYIPYRRTO-UHFFFAOYSA-N 0 0 390.530 3.421 40 0 GGABRN O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)N1CCc2ccccc2C1 ZINC000019937684 210309187 /nfs/dbraw/zinc/30/91/87/210309187.db2.gz POPOASNAICDNNU-UHFFFAOYSA-N 0 0 379.847 3.218 40 0 GGABRN CCn1c2ccc(S(=O)(=O)N[C@H](C)c3ccc(SC)cc3)cc2oc1=O ZINC000019936887 210308628 /nfs/dbraw/zinc/30/86/28/210308628.db2.gz WWZLSFYEOAHYJB-GFCCVEGCSA-N 0 0 392.502 3.376 40 0 GGABRN COc1ccccc1OCc1nnc(SCC(=O)N(C)c2ccccc2)o1 ZINC000019928547 210308690 /nfs/dbraw/zinc/30/86/90/210308690.db2.gz NGSALWRCGMOTJU-UHFFFAOYSA-N 0 0 385.445 3.412 40 0 GGABRN COC(=O)c1ccc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cc1 ZINC000019937654 210308751 /nfs/dbraw/zinc/30/87/51/210308751.db2.gz FSENVYTWCSGNFN-UHFFFAOYSA-N 0 0 397.818 3.058 40 0 GGABRN COC(=O)c1ccccc1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000019937653 210308144 /nfs/dbraw/zinc/30/81/44/210308144.db2.gz 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ZINC000019715062 210285827 /nfs/dbraw/zinc/28/58/27/210285827.db2.gz PJOJOEOYWICJFI-UHFFFAOYSA-N 0 0 376.460 3.393 40 0 GGABRN Cc1cc2[nH]c(C(=O)Nc3ccc([C@H](O)Cn4cncn4)cc3)cc2c(C)c1 ZINC000019714638 210285895 /nfs/dbraw/zinc/28/58/95/210285895.db2.gz YYVVCRQJPXGZCD-HXUWFJFHSA-N 0 0 375.432 3.362 40 0 GGABRN COc1ccc([C@H]2CCCN2CC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 ZINC000019715555 210285997 /nfs/dbraw/zinc/28/59/97/210285997.db2.gz NFJCKRVSQYTFOH-MRXNPFEDSA-N 0 0 399.516 3.120 40 0 GGABRN CCn1nc(C)c(NC(=O)CN2CCC[C@H](c3nc4ccccc4n3C)C2)c1C ZINC000019715427 210285402 /nfs/dbraw/zinc/28/54/02/210285402.db2.gz XLDDKOKCJJPZRF-KRWDZBQOSA-N 0 0 394.523 3.225 40 0 GGABRN CNc1cc(CN(C)C(=O)CCCc2ccc(F)cc2)nc([C@H]2CCCN2C)n1 ZINC000019760257 210295315 /nfs/dbraw/zinc/29/53/15/210295315.db2.gz VRKXHOLTUQQDAP-LJQANCHMSA-N 0 0 399.514 3.405 40 0 GGABRN Cc1nc([C@@H]2CCCCN2Cc2cnn(C)c2)ncc1C(=O)Nc1ccccc1 ZINC000019764806 210295330 /nfs/dbraw/zinc/29/53/30/210295330.db2.gz IXXNOCNBNXIZEO-FQEVSTJZSA-N 0 0 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ZINC000019747938 210292165 /nfs/dbraw/zinc/29/21/65/210292165.db2.gz GUPAFZPRWHZFJF-HXUWFJFHSA-N 0 0 378.516 3.480 40 0 GGABRN CC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)C(=O)CC3)C1 ZINC000019741525 210291232 /nfs/dbraw/zinc/29/12/32/210291232.db2.gz XQTZGPZMMOYEOT-QGZVFWFLSA-N 0 0 396.466 3.129 40 0 GGABRN CC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccc(C)cc2)C(=O)CC3)CC1 ZINC000019739248 210291302 /nfs/dbraw/zinc/29/13/02/210291302.db2.gz XNWCITGSSBQHFQ-UHFFFAOYSA-N 0 0 392.503 3.299 40 0 GGABRN CC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2 ZINC000019741784 210291063 /nfs/dbraw/zinc/29/10/63/210291063.db2.gz JPDHNUIRQBJFHG-SFHVURJKSA-N 0 0 382.439 3.087 40 0 GGABRN CC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccccc2F)C(=O)CC3)CC1 ZINC000019739349 210291002 /nfs/dbraw/zinc/29/10/02/210291002.db2.gz JLSGMNYMEZVBQS-UHFFFAOYSA-N 0 0 396.466 3.129 40 0 GGABRN CC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2 ZINC000019741782 210290609 /nfs/dbraw/zinc/29/06/09/210290609.db2.gz JPDHNUIRQBJFHG-GOSISDBHSA-N 0 0 382.439 3.087 40 0 GGABRN Cn1cnc2ccc(NC(=O)CC3CCN(C(=O)Cc4ccccc4)CC3)cc21 ZINC000019748337 210290587 /nfs/dbraw/zinc/29/05/87/210290587.db2.gz JCKHWXBCQVEXMZ-UHFFFAOYSA-N 0 0 390.487 3.383 40 0 GGABRN Cc1nnnn1-c1cccc(NC(=O)Cc2csc(-c3ccccc3)n2)c1 ZINC000019718762 210289754 /nfs/dbraw/zinc/28/97/54/210289754.db2.gz WVYNEDMPAWWJDV-UHFFFAOYSA-N 0 0 376.445 3.275 40 0 GGABRN CNc1ncc(C(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)cn1 ZINC000019718591 210289373 /nfs/dbraw/zinc/28/93/73/210289373.db2.gz ANFRJORFTKDZEP-OAHLLOKOSA-N 0 0 378.480 3.469 40 0 GGABRN Cc1cccn2cc(C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)nc12 ZINC000019718832 210289499 /nfs/dbraw/zinc/28/94/99/210289499.db2.gz OCRFOPWGEXPSJP-UHFFFAOYSA-N 0 0 398.488 3.070 40 0 GGABRN CCn1nc(C)c(NC(=O)CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)c1C ZINC000019719751 210289171 /nfs/dbraw/zinc/28/91/71/210289171.db2.gz CEWVPUSGXLWUEX-KRWDZBQOSA-N 0 0 394.523 3.289 40 0 GGABRN COc1cccc(-c2cc(C(=O)Nc3cccc(Cn4cncn4)c3)on2)c1 ZINC000019718412 210289237 /nfs/dbraw/zinc/28/92/37/210289237.db2.gz OPYVSZYCBYTMPF-UHFFFAOYSA-N 0 0 375.388 3.242 40 0 GGABRN CCn1ncc(-c2cc(C(=O)NCc3ccccc3N3CCCC3)on2)c1C ZINC000019719012 210289283 /nfs/dbraw/zinc/28/92/83/210289283.db2.gz JEEKRMWVVSCLEK-UHFFFAOYSA-N 0 0 379.464 3.397 40 0 GGABRN Cc1c(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)sc2[nH]cnc(=O)c12 ZINC000019717835 210289296 /nfs/dbraw/zinc/28/92/96/210289296.db2.gz KXVUHPKLKMJOMZ-MRXNPFEDSA-N 0 0 396.516 3.168 40 0 GGABRN O=C(Nc1cccc(Cn2cccn2)c1)[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 ZINC000019718374 210288988 /nfs/dbraw/zinc/28/89/88/210288988.db2.gz BCFKWCZBTKEDOJ-SFHVURJKSA-N 0 0 392.434 3.058 40 0 GGABRN CCn1cc(-c2cc(C(=O)Nc3cc(C)nn3-c3ccc(F)cc3)no2)cn1 ZINC000019719266 210289077 /nfs/dbraw/zinc/28/90/77/210289077.db2.gz FQQLKPHBTPSGTM-UHFFFAOYSA-N 0 0 380.383 3.444 40 0 GGABRN CNc1ncc(C(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)cn1 ZINC000019718592 210288805 /nfs/dbraw/zinc/28/88/05/210288805.db2.gz ANFRJORFTKDZEP-HNNXBMFYSA-N 0 0 378.480 3.469 40 0 GGABRN CCn1ncc(-c2cc(C(=O)Nc3ncc(-c4ccc(F)cc4)n3C)on2)c1C ZINC000019719129 210288873 /nfs/dbraw/zinc/28/88/73/210288873.db2.gz JJWFXWFWNJFULQ-UHFFFAOYSA-N 0 0 394.410 3.080 40 0 GGABRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000019718206 210288926 /nfs/dbraw/zinc/28/89/26/210288926.db2.gz CQDJALOJIFUFES-GFCCVEGCSA-N 0 0 398.894 3.407 40 0 GGABRN CCn1cc(-c2cc(C(=O)Nc3cccc(C(=O)N4CCCC4)c3C)no2)cn1 ZINC000019719269 210288615 /nfs/dbraw/zinc/28/86/15/210288615.db2.gz YXRJQNXWCOTMJD-UHFFFAOYSA-N 0 0 393.447 3.355 40 0 GGABRN Cn1cnc2ccc(NC(=O)c3cc(N4CCOCC4)nc4ccccc43)cc21 ZINC000019718095 210288440 /nfs/dbraw/zinc/28/84/40/210288440.db2.gz VTRDXMPBANFAFQ-UHFFFAOYSA-N 0 0 387.443 3.210 40 0 GGABRN CCn1cc(-c2cc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)no2)cn1 ZINC000019719240 210288468 /nfs/dbraw/zinc/28/84/68/210288468.db2.gz LKRMWHFPKMWKMI-UHFFFAOYSA-N 0 0 380.383 3.194 40 0 GGABRN CC(=O)N1CCC(C(=O)N2CCc3nc(-c4ccc(F)cc4)sc3C2)CC1 ZINC000019719899 210288269 /nfs/dbraw/zinc/28/82/69/210288269.db2.gz OXKLSYBCPFMEQY-UHFFFAOYSA-N 0 0 387.480 3.092 40 0 GGABRN CC(C)(C)[C@H]1CCc2[nH]nc(C(=O)Nc3cccc(Cn4cncn4)c3)c2C1 ZINC000019716081 210287921 /nfs/dbraw/zinc/28/79/21/210287921.db2.gz JHKWEDGDASMUOJ-HNNXBMFYSA-N 0 0 378.480 3.453 40 0 GGABRN Cc1nn(C)cc1-c1cc(C(=O)N[C@H](C)c2cnn(C)c2C)c2ccccc2n1 ZINC000019716445 210287687 /nfs/dbraw/zinc/28/76/87/210287687.db2.gz CIRWQJNXJBOOSS-CYBMUJFWSA-N 0 0 388.475 3.477 40 0 GGABRN O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(-n2cccn2)nc1 ZINC000019716578 210287728 /nfs/dbraw/zinc/28/77/28/210287728.db2.gz XTTDSLQXFCWYTI-UHFFFAOYSA-N 0 0 383.839 3.010 40 0 GGABRN Cc1c(-c2cc(C(=O)N[C@H](C)c3cnn(C)c3C)c3ccccc3n2)cnn1C ZINC000019716510 210287794 /nfs/dbraw/zinc/28/77/94/210287794.db2.gz IAOICOYUAGWWJC-CYBMUJFWSA-N 0 0 388.475 3.477 40 0 GGABRN COc1ccc(-c2cc(C(=O)Nc3ccc4ncn(C)c4c3)n[nH]2)c(OC)c1 ZINC000019716290 210287846 /nfs/dbraw/zinc/28/78/46/210287846.db2.gz WIYHCEHLUOIXHM-UHFFFAOYSA-N 0 0 377.404 3.233 40 0 GGABRN Cc1noc2nc(C)cc(C(=O)N[C@@H](CCN3CCOCC3)c3ccccc3)c12 ZINC000019715879 210287367 /nfs/dbraw/zinc/28/73/67/210287367.db2.gz KCTNYOSPDPNWJQ-IBGZPJMESA-N 0 0 394.475 3.033 40 0 GGABRN Cc1nn(C)c2nc(C)cc(C(=O)NCCc3cn(C)c4ccc(F)cc34)c12 ZINC000019716337 210287393 /nfs/dbraw/zinc/28/73/93/210287393.db2.gz HEWSVLYDNQOPEB-UHFFFAOYSA-N 0 0 379.439 3.188 40 0 GGABRN CCOc1ccc(CCC(=O)N2CCC(c3cc(CN(C)C)n(C)n3)CC2)cc1 ZINC000019710175 210286771 /nfs/dbraw/zinc/28/67/71/210286771.db2.gz DUTIPBFRHHOGQA-UHFFFAOYSA-N 0 0 398.551 3.219 40 0 GGABRN O=C(Nc1cccc(Cn2cncn2)c1)c1cc(-n2cccn2)ccc1Cl ZINC000019715194 210286874 /nfs/dbraw/zinc/28/68/74/210286874.db2.gz WGMXTKDAARSKLU-UHFFFAOYSA-N 0 0 378.823 3.418 40 0 GGABRN COc1ccc([C@@H]2CCCN2C(=O)Cn2c(C)nc3ccccc3c2=O)cc1 ZINC000019715148 210286542 /nfs/dbraw/zinc/28/65/42/210286542.db2.gz XVPWWVPCCQMEBQ-FQEVSTJZSA-N 0 0 377.444 3.077 40 0 GGABRN COCCOc1ccc(C(=O)N2CCO[C@H](c3cc4ccccc4cn3)C2)cc1 ZINC000019593665 210274923 /nfs/dbraw/zinc/27/49/23/210274923.db2.gz PJFCBTDWPZGYOA-QFIPXVFZSA-N 0 0 392.455 3.474 40 0 GGABRN CCc1cc2c(ncn(CC(=O)N(C)Cc3ccc4c(c3)C[C@H](C)O4)c2=O)s1 ZINC000019714939 210285113 /nfs/dbraw/zinc/28/51/13/210285113.db2.gz WPXJSWBHGFARLK-ZDUSSCGKSA-N 0 0 397.500 3.002 40 0 GGABRN CCNc1nc(C)c(C(=O)N2CCCC[C@@H]2c2cc(CN(C)C)n(C)n2)s1 ZINC000019709116 210284637 /nfs/dbraw/zinc/28/46/37/210284637.db2.gz LMSLYXWMLOLJIM-MRXNPFEDSA-N 0 0 390.557 3.046 40 0 GGABRN COCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)CCC2 ZINC000019706190 210284730 /nfs/dbraw/zinc/28/47/30/210284730.db2.gz CAMNSKASTCHJFE-HXUWFJFHSA-N 0 0 394.519 3.438 40 0 GGABRN Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3ccc(C(=O)N(C)C)cn3)CC2)cc1 ZINC000019705845 210284568 /nfs/dbraw/zinc/28/45/68/210284568.db2.gz QSJXCIUPZNBOLF-KRWDZBQOSA-N 0 0 395.503 3.265 40 0 GGABRN O=C(C[C@H]1CCCO1)N1CCC(c2ccc(C(=O)NC3CCCC3)cn2)CC1 ZINC000019708321 210284313 /nfs/dbraw/zinc/28/43/13/210284313.db2.gz BTUXYTLOTOAQHG-LJQANCHMSA-N 0 0 385.508 3.029 40 0 GGABRN 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COc1cccc(Nc2nc([C@@]3(C)C[C@]4(C[C@H](C)OC4=O)C(=O)O3)cs2)c1 ZINC000001424475 220496685 /nfs/dbraw/zinc/49/66/85/220496685.db2.gz LAQJNCRUNZPDBE-SYURPWHHSA-N 0 0 388.445 3.379 40 0 GGABRN COc1cc([C@H]2NCCC(=O)N2)cc(Br)c1OCc1ccccc1 ZINC000408738172 533132339 /nfs/dbraw/zinc/13/23/39/533132339.db2.gz QDEFPIKPOJRPFO-SFHVURJKSA-N 0 0 391.265 3.145 40 0 GGABRN COc1cccc2c1O[C@]1(C)NC(=O)N[C@H]2[C@@H]1C(=O)Nc1cccc(Cl)c1 ZINC000004820814 220770936 /nfs/dbraw/zinc/77/09/36/220770936.db2.gz HEGJKDHUJSCGBJ-CLCXKQKWSA-N 0 0 387.823 3.066 40 0 GGABRN CCC(=O)Nc1ccc(NC(=O)CSc2nc(C)c(CC)c(=O)[nH]2)cc1C ZINC000005021669 220812249 /nfs/dbraw/zinc/81/22/49/220812249.db2.gz MSGWWVNPCKOZFI-UHFFFAOYSA-N 0 0 388.493 3.028 40 0 GGABRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccc(OC)c2OC(C)C)C1=O ZINC000409101526 533200607 /nfs/dbraw/zinc/20/06/07/533200607.db2.gz YSBWCDSYCBTPHU-LUHPIMIVSA-N 0 0 379.434 3.080 40 0 GGABRN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)ccc2O)cc1 ZINC000005746222 220895584 /nfs/dbraw/zinc/89/55/84/220895584.db2.gz ZINIZQJCCHYATN-SNVBAGLBSA-N 0 0 376.796 3.188 40 0 GGABRN O=C(Nc1ccccc1F)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000008289137 221035294 /nfs/dbraw/zinc/03/52/94/221035294.db2.gz LHAUQSYVTWYZRF-NTCAYCPXSA-N 0 0 388.464 3.477 40 0 GGABRN CCn1c(SCc2cc(=O)n3c(C)csc3n2)nc2ccccc2c1=O ZINC000008772254 221058695 /nfs/dbraw/zinc/05/86/95/221058695.db2.gz AFJNWZLGKRGCAW-UHFFFAOYSA-N 0 0 384.486 3.087 40 0 GGABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3C)C2)cc1 ZINC000008777319 221059147 /nfs/dbraw/zinc/05/91/47/221059147.db2.gz QQKREFABUXQXJR-MRXNPFEDSA-N 0 0 388.489 3.043 40 0 GGABRN CCCOc1ccccc1NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1 ZINC000008726488 221052890 /nfs/dbraw/zinc/05/28/90/221052890.db2.gz BKWCEBRRWGXLEK-UHFFFAOYSA-N 0 0 376.478 3.414 40 0 GGABRN Cc1ccc2nc(-c3ccccc3)c(NC(=O)c3nc4nccc(C)n4n3)n2c1 ZINC000008746409 221054220 /nfs/dbraw/zinc/05/42/20/221054220.db2.gz TWWSGXUSLPUFDN-UHFFFAOYSA-N 0 0 383.415 3.308 40 0 GGABRN CSc1nc2nc(C)c(CC(=O)N[C@@H](C)CCc3ccccc3)c(C)n2n1 ZINC000008751181 221055492 /nfs/dbraw/zinc/05/54/92/221055492.db2.gz FFCFTGTTYPQJHB-ZDUSSCGKSA-N 0 0 383.521 3.143 40 0 GGABRN CCn1c(C)cc(C(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c1C ZINC000008750712 221055820 /nfs/dbraw/zinc/05/58/20/221055820.db2.gz UWLWPVANXJNIBZ-QHCPKHFHSA-N 0 0 393.487 3.481 40 0 GGABRN C[C@@H](Sc1nnc(-c2cccs2)n1N)C(=O)N1CCCc2ccccc21 ZINC000009052492 221068567 /nfs/dbraw/zinc/06/85/67/221068567.db2.gz DWYCMZQTFZARFK-GFCCVEGCSA-N 0 0 385.518 3.180 40 0 GGABRN C[C@@H](C(=O)N1CCc2ccccc21)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000010449371 533219947 /nfs/dbraw/zinc/21/99/47/533219947.db2.gz OHGHZAQSPLJXNU-ZDUSSCGKSA-N 0 0 378.881 3.084 40 0 GGABRN COC(=O)c1ccc(NC(=S)N2CCN(c3ccccc3OC)CC2)cc1 ZINC000009877201 221093262 /nfs/dbraw/zinc/09/32/62/221093262.db2.gz IREXHVMFTDXAFV-UHFFFAOYSA-N 0 0 385.489 3.001 40 0 GGABRN CCOC(=O)c1ccccc1NC(=S)N1CCN(c2ccccc2OC)CC1 ZINC000009877263 221093434 /nfs/dbraw/zinc/09/34/34/221093434.db2.gz RTRSOZYFXAETQM-UHFFFAOYSA-N 0 0 399.516 3.391 40 0 GGABRN COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OCC(C)C ZINC000009880374 221093791 /nfs/dbraw/zinc/09/37/91/221093791.db2.gz UHZBKWOKVHVNPE-UHFFFAOYSA-N 0 0 386.452 3.384 40 0 GGABRN COc1ccc(C(=O)N2CCC[C@@H](c3ccnc4cc(C)nn43)C2)cc1OC ZINC000012119007 221152681 /nfs/dbraw/zinc/15/26/81/221152681.db2.gz UBUBOCJSHWGLAH-MRXNPFEDSA-N 0 0 380.448 3.075 40 0 GGABRN Cc1c2ccccc2oc1C(=O)N1CCC2(C[C@@](O)(c3nccs3)CO2)CC1 ZINC000012119042 221152827 /nfs/dbraw/zinc/15/28/27/221152827.db2.gz OLFWLRALSNRTER-NRFANRHFSA-N 0 0 398.484 3.481 40 0 GGABRN O=C(c1cccs1)N1CCC[C@H](c2ccnc3nc(C(F)(F)F)nn32)C1 ZINC000012118975 221153238 /nfs/dbraw/zinc/15/32/38/221153238.db2.gz YQVXGONKJSJIFP-JTQLQIEISA-N 0 0 381.383 3.224 40 0 GGABRN O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@H](c2ccnc3ncnn32)C1 ZINC000012118851 221153359 /nfs/dbraw/zinc/15/33/59/221153359.db2.gz UKZLBSGNLBYSQM-QGZVFWFLSA-N 0 0 388.475 3.335 40 0 GGABRN Cc1c2ccccc2oc1C(=O)N1CCC2(C[C@](O)(c3nccs3)CO2)CC1 ZINC000012119044 221153426 /nfs/dbraw/zinc/15/34/26/221153426.db2.gz OLFWLRALSNRTER-OAQYLSRUSA-N 0 0 398.484 3.481 40 0 GGABRN Cc1csc(NC(=O)CN2CCC[C@H](c3ncncc3-c3cc(C)no3)C2)n1 ZINC000012118404 221153509 /nfs/dbraw/zinc/15/35/09/221153509.db2.gz RNTXNVGSQMMQLT-AWEZNQCLSA-N 0 0 398.492 3.023 40 0 GGABRN COc1ccc(CN2Cc3ccccc3OC[C@@H]2Cn2ccnc2)c(OC)c1 ZINC000012128381 221155646 /nfs/dbraw/zinc/15/56/46/221155646.db2.gz WPTRDUGGWGCQKS-IBGZPJMESA-N 0 0 379.460 3.364 40 0 GGABRN CC1(C)C[C@@](CCNS(=O)(=O)N2CCCC2)(Cc2ccccc2)CCO1 ZINC000012362114 221184808 /nfs/dbraw/zinc/18/48/08/221184808.db2.gz GLBMACGGOOBPDM-HXUWFJFHSA-N 0 0 380.554 3.125 40 0 GGABRN O=C(c1cccc(-n2cnnn2)c1)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 ZINC000012181031 221162139 /nfs/dbraw/zinc/16/21/39/221162139.db2.gz HNQGHZLUPUZPPG-XGSMCBPESA-N 0 0 377.423 3.352 40 0 GGABRN Cc1cc(-c2cc(N)c(=O)n([C@@H](C)C(=O)NC3CCCCCCC3)n2)c(C)o1 ZINC000012183704 221162478 /nfs/dbraw/zinc/16/24/78/221162478.db2.gz IJYUECROXVBRMO-AWEZNQCLSA-N 0 0 386.496 3.492 40 0 GGABRN Cc1occc1-c1nn(C2CCN(C(=O)[C@H](C)c3ccccc3)CC2)c(=O)o1 ZINC000012182938 221162608 /nfs/dbraw/zinc/16/26/08/221162608.db2.gz VZYZMOMTLBETAI-CQSZACIVSA-N 0 0 381.432 3.372 40 0 GGABRN Cc1sc2nc(C3CC3)n3c(nn(CC(=O)N4CCCC[C@@H]4C)c3=O)c2c1C ZINC000012182024 221162617 /nfs/dbraw/zinc/16/26/17/221162617.db2.gz RNXDMGNYAYSLRS-NSHDSACASA-N 0 0 399.520 3.001 40 0 GGABRN CCCc1nn(CC(=O)N2[C@H](C)CCC[C@@H]2C)c(=O)c2cc3ccsc3n21 ZINC000012181639 221162625 /nfs/dbraw/zinc/16/26/25/221162625.db2.gz UXPCJNWRUKLTDC-OKILXGFUSA-N 0 0 386.521 3.453 40 0 GGABRN O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1Cn1nc(-c2cccs2)ccc1=O ZINC000012182806 221162880 /nfs/dbraw/zinc/16/28/80/221162880.db2.gz UGPJPAGLJBXIAZ-QGZVFWFLSA-N 0 0 397.475 3.345 40 0 GGABRN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)n1nc(-c2ccco2)cc(N)c1=O ZINC000012181382 221162937 /nfs/dbraw/zinc/16/29/37/221162937.db2.gz SHVYTARYVSRVDA-SNVBAGLBSA-N 0 0 392.337 3.304 40 0 GGABRN Cc1cc(-c2cc(N)c(=O)n([C@H](C)C(=O)N3c4ccccc4C[C@H]3C)n2)c(C)o1 ZINC000012183734 221162970 /nfs/dbraw/zinc/16/29/70/221162970.db2.gz HYJDSZZCWPMHTF-TZMCWYRMSA-N 0 0 392.459 3.241 40 0 GGABRN CC[C@H](Cn1nc(-c2ccc(OC)cc2)ccc1=O)NC(=O)c1cccs1 ZINC000012182472 221163057 /nfs/dbraw/zinc/16/30/57/221163057.db2.gz ZOWCMRKBNHZUDK-OAHLLOKOSA-N 0 0 383.473 3.189 40 0 GGABRN C[C@@H](C(=O)Nc1cccc2c1CCCC2)n1nc(-c2ccco2)cc(N)c1=O ZINC000012181352 221163140 /nfs/dbraw/zinc/16/31/40/221163140.db2.gz BJUJQFMBENZLKH-ZDUSSCGKSA-N 0 0 378.432 3.164 40 0 GGABRN Cc1cc(-c2cc(N)c(=O)n([C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)n2)c(C)o1 ZINC000012183740 221163491 /nfs/dbraw/zinc/16/34/91/221163491.db2.gz HYJDSZZCWPMHTF-JSGCOSHPSA-N 0 0 392.459 3.241 40 0 GGABRN Cc1cc(C(=O)N2CCC[C@H](n3nnc4cc(C(F)(F)F)ccc43)C2)on1 ZINC000012184956 221163646 /nfs/dbraw/zinc/16/36/46/221163646.db2.gz XUIJFERKKMZMTP-LBPRGKRZSA-N 0 0 379.342 3.224 40 0 GGABRN CC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)C1(c2ccc(OC)cc2)CC1 ZINC000012185282 221163860 /nfs/dbraw/zinc/16/38/60/221163860.db2.gz FEKDPLMRNBMPBE-SFHVURJKSA-N 0 0 391.471 3.032 40 0 GGABRN Cc1nnsc1C(=O)N1CCC[C@H](n2nnc3cc(C(F)(F)F)ccc32)C1 ZINC000012184920 221163877 /nfs/dbraw/zinc/16/38/77/221163877.db2.gz DUWBJUFYEAKIKL-NSHDSACASA-N 0 0 396.398 3.087 40 0 GGABRN CC(C)(C)C(=O)Cn1nc2nnc(-c3ccccc3)c(-c3ccccc3)n2c1=O ZINC000012185904 221164078 /nfs/dbraw/zinc/16/40/78/221164078.db2.gz QAOGRVWKMNQKTH-UHFFFAOYSA-N 0 0 387.443 3.235 40 0 GGABRN O=C(CN1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1)NC1CCCCC1 ZINC000012184532 221164393 /nfs/dbraw/zinc/16/43/93/221164393.db2.gz ULZBNWSEEYAXQT-MRXNPFEDSA-N 0 0 391.899 3.334 40 0 GGABRN Cc1[nH]c(=S)sc1CC(=O)N[C@H](c1nccn1C)c1ccc(F)cc1 ZINC000014404598 221309674 /nfs/dbraw/zinc/30/96/74/221309674.db2.gz WPXBEDGFEJGYFT-HNNXBMFYSA-N 0 0 376.482 3.435 40 0 GGABRN O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000014493345 221310556 /nfs/dbraw/zinc/31/05/56/221310556.db2.gz NDLCBHZYIIAMRJ-YQMDMEMYSA-N 0 0 388.423 3.225 40 0 GGABRN CN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1ccc(N2CCCC2=O)cc1 ZINC000014521423 221311069 /nfs/dbraw/zinc/31/10/69/221311069.db2.gz PQQZNGABEWBNKE-YRNVUSSQSA-N 0 0 378.428 3.214 40 0 GGABRN Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(-c3ccc(Cl)cc3)nn21 ZINC000014607337 221313139 /nfs/dbraw/zinc/31/31/39/221313139.db2.gz GJAFQIKELMQGGT-OAHLLOKOSA-N 0 0 381.823 3.429 40 0 GGABRN COc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(OC)c1OC ZINC000409235166 533240381 /nfs/dbraw/zinc/24/03/81/533240381.db2.gz APLMQDSGOLFXGD-LFIBNONCSA-N 0 0 382.416 3.114 40 0 GGABRN COc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(OC)c1OC ZINC000409229593 533240711 /nfs/dbraw/zinc/24/07/11/533240711.db2.gz RPNHHKDHVSZWLO-LFIBNONCSA-N 0 0 382.416 3.114 40 0 GGABRN C[C@@H](C(=O)NCCSC1CCCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000409024754 533261628 /nfs/dbraw/zinc/26/16/28/533261628.db2.gz NTQDDXNDAOEOBS-HNNXBMFYSA-N 0 0 384.567 3.023 40 0 GGABRN COc1ccc(Br)cc1C(=O)NC(=S)NNc1ccccc1 ZINC000408628773 533264423 /nfs/dbraw/zinc/26/44/23/533264423.db2.gz XHOCRCHGFDJACB-UHFFFAOYSA-N 0 0 380.267 3.089 40 0 GGABRN COCCCNC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1 ZINC000100444909 533290264 /nfs/dbraw/zinc/29/02/64/533290264.db2.gz BZSDSKWJMYPFSB-UHFFFAOYSA-N 0 0 391.265 3.468 40 0 GGABRN CS(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccccc1 ZINC000128061498 533376303 /nfs/dbraw/zinc/37/63/03/533376303.db2.gz LADCHKFYPOYZAL-UHFFFAOYSA-N 0 0 386.395 3.106 40 0 GGABRN COc1cccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c1OC(C)=O ZINC000408974217 533391127 /nfs/dbraw/zinc/39/11/27/533391127.db2.gz XMMJCYVNQIIUQA-ZDLGFXPLSA-N 0 0 394.452 3.008 40 0 GGABRN COc1cccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)c1 ZINC000408643518 533393208 /nfs/dbraw/zinc/39/32/08/533393208.db2.gz GBULKMDMHLDZPQ-KRWDZBQOSA-N 0 0 381.428 3.091 40 0 GGABRN COc1cccc(C(=O)N2CC[NH+]([C@@H](CCC(=O)[O-])c3ccc(C)cc3)CC2)c1 ZINC000408613029 533401168 /nfs/dbraw/zinc/40/11/68/533401168.db2.gz WMUDKYPEDIMVDH-NRFANRHFSA-N 0 0 396.487 3.368 40 0 GGABRN COc1ccc(C)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000408562022 533401914 /nfs/dbraw/zinc/40/19/14/533401914.db2.gz XAZVQHQSAMKTLV-OAHLLOKOSA-N 0 0 398.484 3.462 40 0 GGABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccccc1SC ZINC000408560287 533405921 /nfs/dbraw/zinc/40/59/21/533405921.db2.gz OGKAULJUYHVHGV-ZDUSSCGKSA-N 0 0 394.518 3.031 40 0 GGABRN C/C(=C\c1ccccc1)CN1CCc2c(=O)[nH]c(N3C[C@@H](C)O[C@@H](C)C3)nc2C1 ZINC000072335652 533411544 /nfs/dbraw/zinc/41/15/44/533411544.db2.gz SZBKIWZCWSZTNO-BOLKPDSISA-N 0 0 394.519 3.257 40 0 GGABRN CS(=O)(=O)Nc1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1 ZINC000409409308 533419889 /nfs/dbraw/zinc/41/98/89/533419889.db2.gz HETCKKPSDRIMQH-UHFFFAOYSA-N 0 0 398.937 3.375 40 0 GGABRN COc1cc(/C=C2/C(=O)N(C)C(=S)N2C)ccc1OCc1ccc(F)cc1 ZINC000409036548 533470666 /nfs/dbraw/zinc/47/06/66/533470666.db2.gz LOACYVVLZHDDLP-YBEGLDIGSA-N 0 0 386.448 3.443 40 0 GGABRN COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(OC)c1OC ZINC000409236496 533471781 /nfs/dbraw/zinc/47/17/81/533471781.db2.gz SIUGAQAKYXAKMG-CXUHLZMHSA-N 0 0 382.416 3.114 40 0 GGABRN COc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)c(Br)cc1O ZINC000409089483 533474008 /nfs/dbraw/zinc/47/40/08/533474008.db2.gz IPOHSBFGJNGYBK-QPEQYQDCSA-N 0 0 395.253 3.389 40 0 GGABRN COc1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC ZINC000042646025 533480009 /nfs/dbraw/zinc/48/00/09/533480009.db2.gz KJMWLHZYVPMBSW-UHFFFAOYSA-N 0 0 397.258 3.308 40 0 GGABRN C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCCCCC1 ZINC000409389119 533480350 /nfs/dbraw/zinc/48/03/50/533480350.db2.gz GIQIOWYIWLUSIE-LLVKDONJSA-N 0 0 379.309 3.063 40 0 GGABRN COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000113890442 533499981 /nfs/dbraw/zinc/49/99/81/533499981.db2.gz DPHRXWMCJMHPJT-UHFFFAOYSA-N 0 0 388.272 3.357 40 0 GGABRN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1 ZINC000409055659 533501760 /nfs/dbraw/zinc/50/17/60/533501760.db2.gz ADKTZULURAOLLF-WJDWOHSUSA-N 0 0 386.860 3.488 40 0 GGABRN COC(=O)CN1C(=O)N/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O ZINC000408549113 533502170 /nfs/dbraw/zinc/50/21/70/533502170.db2.gz PHNMUCJYSJSHMA-QPEQYQDCSA-N 0 0 395.198 3.319 40 0 GGABRN COc1ccc(CNC(=O)CSc2nnc(CCc3ccccc3)n2C)cc1 ZINC000409216214 533590123 /nfs/dbraw/zinc/59/01/23/533590123.db2.gz GFXSWAJIGSELFM-UHFFFAOYSA-N 0 0 396.516 3.017 40 0 GGABRN COC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl ZINC000408587929 533563234 /nfs/dbraw/zinc/56/32/34/533563234.db2.gz UXUYLCQUHLQXMI-UHFFFAOYSA-N 0 0 395.864 3.033 40 0 GGABRN C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000408708342 533615985 /nfs/dbraw/zinc/61/59/85/533615985.db2.gz PGYRIYBZFMLLLM-DVOMOZLQSA-N 0 0 379.298 3.497 40 0 GGABRN C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000408872938 533617078 /nfs/dbraw/zinc/61/70/78/533617078.db2.gz LOEXBYQVJJUIEV-XYPHTWIQSA-N 0 0 384.929 3.188 40 0 GGABRN O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1ccc(F)cc1Cl ZINC000040089724 132395069 /nfs/dbraw/zinc/39/50/69/132395069.db2.gz SIFHGXBQXLEDJK-UHFFFAOYSA-N 0 0 382.222 3.321 40 0 GGABRN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CCCc3ccc(F)cc32)c1 ZINC000040117222 132397203 /nfs/dbraw/zinc/39/72/03/132397203.db2.gz QFGPRFLMENRNSH-UHFFFAOYSA-N 0 0 390.480 3.448 40 0 GGABRN Cc1cc(C)n(-c2cccc(NC(=O)C3CCN(c4ncccn4)CC3)c2)n1 ZINC000040134049 132399118 /nfs/dbraw/zinc/39/91/18/132399118.db2.gz HRYLLGFALWTVJD-UHFFFAOYSA-N 0 0 376.464 3.134 40 0 GGABRN Cc1cc(C)n(-c2ccc(C(=O)N3CCN(c4ccc(O)cc4)CC3)cc2)n1 ZINC000042630560 132414479 /nfs/dbraw/zinc/41/44/79/132414479.db2.gz GYWNSLVDTIVVIY-UHFFFAOYSA-N 0 0 376.460 3.157 40 0 GGABRN CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 ZINC000057670751 132454920 /nfs/dbraw/zinc/45/49/20/132454920.db2.gz RSDYPZQRHMDYNR-IBGZPJMESA-N 0 0 398.461 3.273 40 0 GGABRN CN(C)C(=O)[C@@H]1CN(Cc2ccccc2Br)c2ccccc2O1 ZINC000058278309 136155187 /nfs/dbraw/zinc/15/51/87/136155187.db2.gz XZNIVSQULCJYEZ-KRWDZBQOSA-N 0 0 375.266 3.305 40 0 GGABRN 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biogenic,in-vitro GGABRN CCC(CC)C(=O)N1C[C@@H]2[C@H](C1)Oc1ccc(C(F)(F)F)cc1C(=O)N2C ZINC000514288624 560034720 /nfs/dbraw/zinc/03/47/20/560034720.db2.gz HXWXLDARDGSYNB-ZBFHGGJFSA-N 0 0 384.398 3.185 40 0 biogenic,in-vitro GGABRN O=C([O-])C[C@@H]1CC[N@@H+](C2CCC(F)(F)CC2)C[C@@H]1Cc1nc2cnccc2[nH]1 ZINC000514288426 560034843 /nfs/dbraw/zinc/03/48/43/560034843.db2.gz DXSPBHJLQIPOKG-KBPBESRZSA-N 0 0 392.450 3.491 40 0 biogenic,in-vitro GGABRN COc1ccc2c(c1)CN(C(=O)NCc1ccccc1)CC[C@H]1COC(=O)N21 ZINC000225491037 560042465 /nfs/dbraw/zinc/04/24/65/560042465.db2.gz KSSFTGZVGYJPEM-KRWDZBQOSA-N 0 0 381.432 3.136 40 0 biogenic,in-vitro GGABRN CN1c2cccnc2CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1CO ZINC000225497288 560042487 /nfs/dbraw/zinc/04/24/87/560042487.db2.gz VKUFFSYXHOBOPV-HNNXBMFYSA-N 0 0 394.397 3.335 40 0 biogenic,in-vitro GGABRN COc1ccccc1C(=O)N1C[C@@H]2C[C@H]1C(=O)N(CC1CC1)c1ccccc1O2 ZINC000225478557 560042822 /nfs/dbraw/zinc/04/28/22/560042822.db2.gz OQUMDEMQFMQXGV-LPHOPBHVSA-N 0 0 392.455 3.114 40 0 biogenic,in-vitro GGABRN CCN(CC)Cc1nc(C2(O)CCN(C(=O)c3cccc(F)c3)CC2)cs1 ZINC000225464235 560043369 /nfs/dbraw/zinc/04/33/69/560043369.db2.gz XFGFZKFCZUVKOM-UHFFFAOYSA-N 0 0 391.512 3.248 40 0 biogenic,in-vitro GGABRN O=C1N(Cc2ccccn2)C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)CCN12 ZINC000096269113 560054129 /nfs/dbraw/zinc/05/41/29/560054129.db2.gz RSVPKKHRCHBQMV-GOSISDBHSA-N 0 0 390.409 3.222 40 0 biogenic,in-vitro GGABRN COc1ccc(-c2cn3c(n2)CO[C@@H](CNC(=O)c2cc(F)cc(F)c2)C3)cc1 ZINC000096269319 560054333 /nfs/dbraw/zinc/05/43/33/560054333.db2.gz KOYQIGMEOSPQKA-SFHVURJKSA-N 0 0 399.397 3.166 40 0 biogenic,in-vitro GGABRN COC(=O)c1ccc2[nH]c(CO[C@H]3CN(Cc4ccccc4)C[C@H]3F)nc2c1 ZINC000096112369 560060620 /nfs/dbraw/zinc/06/06/20/560060620.db2.gz PGXRZYJMPOJOQW-APWZRJJASA-N 0 0 383.423 3.089 40 0 biogenic,in-vitro GGABRN F[C@@H]1CN(Cc2ccc3ccccc3n2)C[C@@H]1OCc1nc2cc[nH]cc-2n1 ZINC000096112131 560060865 /nfs/dbraw/zinc/06/08/65/560060865.db2.gz WMMUAJITRDXVIO-UZLBHIALSA-N 0 0 377.423 3.245 40 0 biogenic,in-vitro GGABRN Cn1cc(CN2C[C@@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)c2ccccc21 ZINC000096112152 560061293 /nfs/dbraw/zinc/06/12/93/560061293.db2.gz MEGWTEICJJHJBD-APWZRJJASA-N 0 0 379.439 3.189 40 0 biogenic,in-vitro GGABRN O=C(c1cccc(F)c1)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000096113151 560061333 /nfs/dbraw/zinc/06/13/33/560061333.db2.gz DWOCJQVELYUZQF-OAHLLOKOSA-N 0 0 384.329 3.160 40 0 biogenic,in-vitro GGABRN O=C(NCc1ccccc1)N1C[C@@H]2C[C@H]1C(=O)N(CC1CC1)c1ccccc1O2 ZINC000096111647 560061463 /nfs/dbraw/zinc/06/14/63/560061463.db2.gz MFGWZODBIMRDFH-ICSRJNTNSA-N 0 0 391.471 3.175 40 0 biogenic,in-vitro GGABRN Cn1c(CO[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2F)nc2ccccc21 ZINC000096112195 560061524 /nfs/dbraw/zinc/06/15/24/560061524.db2.gz UYKPSHZRVSRPRO-QRWLVFNGSA-N 0 0 383.423 3.041 40 0 biogenic,in-vitro GGABRN CC(C)CC(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2CO)cc1 ZINC000072321097 560077011 /nfs/dbraw/zinc/07/70/11/560077011.db2.gz LNKDCKFXEBSNTE-NFBKMPQASA-N 0 0 396.487 3.132 40 0 biogenic,in-vitro GGABRN CC(=O)N1CCC(N2CCOC[C@H]2c2nc(-c3cccc(Cl)c3)c[nH]2)CC1 ZINC000072322128 560077333 /nfs/dbraw/zinc/07/73/33/560077333.db2.gz WAYUXLFXNJSQKA-IBGZPJMESA-N 0 0 388.899 3.114 40 0 biogenic,in-vitro GGABRN COCCOc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccc3)n2)cn1 ZINC000035425376 560080024 /nfs/dbraw/zinc/08/00/24/560080024.db2.gz MACAVIYZAFUHKT-SFHVURJKSA-N 0 0 380.448 3.494 40 0 biogenic,in-vitro GGABRN c1ccc(CN2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)cc1 ZINC000035425260 560080285 /nfs/dbraw/zinc/08/02/85/560080285.db2.gz RGUXZQHAAFNMPG-IBGZPJMESA-N 0 0 391.475 3.305 40 0 biogenic,in-vitro GGABRN CN(C)c1ccc(-c2noc([C@@H]3CCCN3Cc3ccc4c(c3)OCO4)n2)cn1 ZINC000035426265 560080710 /nfs/dbraw/zinc/08/07/10/560080710.db2.gz WWIVMKRLSCYJCT-INIZCTEOSA-N 0 0 393.447 3.263 40 0 biogenic,in-vitro GGABRN Cn1c2ccccc2nc1[C@H]1CCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000049171270 560084332 /nfs/dbraw/zinc/08/43/32/560084332.db2.gz CDDBQJFRUJVVJP-INIZCTEOSA-N 0 0 392.484 3.300 40 0 biogenic,in-vitro GGABRN COc1cccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccccc4)no3)N(C)C2)c1 ZINC000030879556 560090101 /nfs/dbraw/zinc/09/01/01/560090101.db2.gz PZESUXDSGZTRDM-WMZOPIPTSA-N 0 0 393.447 3.312 40 0 biogenic,in-vitro GGABRN COc1ccc(C(=O)N2CC[C@@H](CC(=O)[O-])[C@@H](CC[NH+]3CCCCC3)C2)cc1 ZINC000020463077 560093175 /nfs/dbraw/zinc/09/31/75/560093175.db2.gz QKSVKXJRKNFMPN-OALUTQOASA-N 0 0 388.508 3.124 40 0 biogenic,in-vitro GGABRN O=C(c1cccs1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3cccnc3)c12 ZINC000003841859 560190149 /nfs/dbraw/zinc/19/01/49/560190149.db2.gz HDIKPMYDPIVTLZ-GOEBONIOSA-N 0 0 377.469 3.231 40 0 biogenic,in-vitro GGABRN C[C@@H](NC(=O)CSc1nc2ccccc2c(=O)[nH]1)c1nc2ccccc2[nH]1 ZINC000012401853 560211753 /nfs/dbraw/zinc/21/17/53/560211753.db2.gz JHPMZSYLGXPICT-LLVKDONJSA-N 0 0 379.445 3.181 40 0 biogenic,in-vitro GGABRN CCN(CC)C(=O)c1cc(=O)n(CC(=O)Nc2ccccc2F)c2ccccc12 ZINC000012411557 560211883 /nfs/dbraw/zinc/21/18/83/560211883.db2.gz MPIYGEWDKMOFEQ-UHFFFAOYSA-N 0 0 395.434 3.261 40 0 biogenic,in-vitro GGABRN CN1C[C@@H](NC(=O)c2ccc(F)cc2)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000012529957 560212918 /nfs/dbraw/zinc/21/29/18/560212918.db2.gz KOFISJYRJHJDFG-IRXDYDNUSA-N 0 0 384.386 3.190 40 0 biogenic,in-vitro GGABRN CC(=O)N[C@@H](C(=O)O[C@H]1CCC(C)(C)[C@@H]2CCC3=C(COC3=O)[C@@]12C)C(C)C ZINC000014683780 560224343 /nfs/dbraw/zinc/22/43/43/560224343.db2.gz NEMKJBVVPNFVCU-VDVULAQNSA-N 0 0 391.508 3.149 40 0 biogenic,in-vitro GGABRN CC(=O)Nc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000015674116 560230890 /nfs/dbraw/zinc/23/08/90/560230890.db2.gz VPBAIVGOAFHURS-MOPGFXCFSA-N 0 0 378.432 3.003 40 0 biogenic,in-vitro GGABRN NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 ZINC000000888146 564181015 /nfs/dbraw/zinc/18/10/15/564181015.db2.gz HXKLXGGHGYKPJZ-UHFFFAOYSA-N 0 0 389.278 3.274 40 0 GGABRN COc1cc(Br)c(C(=O)N(C)CCc2ccc(O)cc2)cc1O ZINC000000900988 564181470 /nfs/dbraw/zinc/18/14/70/564181470.db2.gz CRZBVPSGSPBXEZ-UHFFFAOYSA-N 0 0 380.238 3.184 40 0 in-vitro GGABRN Cc1cc(OCc2nnc(SCC(=O)N3CCCC3)n2C)ccc1Cl ZINC000000916638 564181580 /nfs/dbraw/zinc/18/15/80/564181580.db2.gz SONBTGVLOPDRFS-UHFFFAOYSA-N 0 0 380.901 3.070 40 0 GGABRN COC(=O)C(CSc1nc(C)cc(C)n1)CSc1nc(C)cc(C)n1 ZINC000001099059 564183198 /nfs/dbraw/zinc/18/31/98/564183198.db2.gz KNPRIWKAKHOBMF-UHFFFAOYSA-N 0 0 378.523 3.174 40 0 GGABRN CC1=NN(C(=O)COc2ccccc2)[C@](O)(c2ccc(Br)cc2)C1 ZINC000001092378 564183625 /nfs/dbraw/zinc/18/36/25/564183625.db2.gz MPTXFXSBERAOSW-GOSISDBHSA-N 0 0 389.249 3.281 40 0 GGABRN COC(=O)c1sc(=S)n(-c2c(C)n(C)n(-c3ccccc3)c2=O)c1C ZINC000001462268 564185195 /nfs/dbraw/zinc/18/51/95/564185195.db2.gz FGJSCCIVLIJKLH-UHFFFAOYSA-N 0 0 375.475 3.161 40 0 GGABRN CCc1cccc(C)c1NC(=O)CSc1nnc(NC(=O)C2CC2)s1 ZINC000001381651 564185253 /nfs/dbraw/zinc/18/52/53/564185253.db2.gz FWYQGSIOTBQQNB-UHFFFAOYSA-N 0 0 376.507 3.488 40 0 GGABRN CCN(CC)C(=O)CSc1nnc2c3c4c(sc3ncn12)CCCC4 ZINC000001379201 564185307 /nfs/dbraw/zinc/18/53/07/564185307.db2.gz ZKPDFBZBOWQAES-UHFFFAOYSA-N 0 0 375.523 3.178 40 0 GGABRN O=C(Cn1nnc2ccccc2c1=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000001328190 564185651 /nfs/dbraw/zinc/18/56/51/564185651.db2.gz LPLKGBMCOVLCNV-UHFFFAOYSA-N 0 0 383.622 3.390 40 0 GGABRN Cc1ccccc1C(=O)Nc1nnc(SCC(=O)NC2CCCC2)s1 ZINC000001381528 564185666 /nfs/dbraw/zinc/18/56/66/564185666.db2.gz YERQPEPUBMZAGP-UHFFFAOYSA-N 0 0 376.507 3.250 40 0 GGABRN C[C@H]1CCc2c(sc3[nH]c(SCC(=O)N4CCCCC4)nc(=O)c23)C1 ZINC000001368068 564185876 /nfs/dbraw/zinc/18/58/76/564185876.db2.gz SSMBUFGZSPKJGU-NSHDSACASA-N 0 0 377.535 3.214 40 0 GGABRN CCCn1nnnc1SCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000001357474 564185898 /nfs/dbraw/zinc/18/58/98/564185898.db2.gz ONQAOUGFQPQJPH-UHFFFAOYSA-N 0 0 378.458 3.077 40 0 GGABRN O=C(CSc1nnnn1C1CCCCC1)Nc1nc2c(s1)CCCC2 ZINC000001340461 564185917 /nfs/dbraw/zinc/18/59/17/564185917.db2.gz KAACHHAAFXFWHR-UHFFFAOYSA-N 0 0 378.527 3.244 40 0 GGABRN CC[C@@H](Sc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)C(=O)OC ZINC000002496888 564188419 /nfs/dbraw/zinc/18/84/19/564188419.db2.gz AUJMARZLSLSVOA-CYBMUJFWSA-N 0 0 380.466 3.064 40 0 GGABRN CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)C2=O ZINC000002629762 564188759 /nfs/dbraw/zinc/18/87/59/564188759.db2.gz QEIFUKGZZLNKOZ-UHFFFAOYSA-N 0 0 384.263 3.433 40 0 GGABRN Cc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000003181418 564192999 /nfs/dbraw/zinc/19/29/99/564192999.db2.gz QJTDQWXWOIYYOT-QGZVFWFLSA-N 0 0 378.881 3.440 40 0 GGABRN CC(=O)c1ccc(NC(=O)COC(=O)C=Cc2ccc(Br)o2)cc1 ZINC000003224931 564194581 /nfs/dbraw/zinc/19/45/81/564194581.db2.gz YNYARTWKFQJIJZ-VQHVLOKHSA-N 0 0 392.205 3.440 40 0 GGABRN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)OCc1c(F)cccc1Cl ZINC000003334694 564195544 /nfs/dbraw/zinc/19/55/44/564195544.db2.gz AUIUKMZVWPUCGO-UHFFFAOYSA-N 0 0 392.235 3.154 40 0 GGABRN O=S(=O)(CCN1CCc2ccccc2C1)Oc1ccc(Br)cc1 ZINC000003313536 564195584 /nfs/dbraw/zinc/19/55/84/564195584.db2.gz AVQSNKASFVVGSE-UHFFFAOYSA-N 0 0 396.306 3.216 40 0 GGABRN CCn1c(SCC(=O)Nc2cc(C)on2)nc2sc(C)c(C)c2c1=O ZINC000003374001 564196355 /nfs/dbraw/zinc/19/63/55/564196355.db2.gz VFKLMESKOQUXQW-UHFFFAOYSA-N 0 0 378.479 3.122 40 0 GGABRN O=C(/C=C/c1ccc(Br)s1)Nc1ccc(-n2cnnn2)cc1 ZINC000003414153 564197103 /nfs/dbraw/zinc/19/71/03/564197103.db2.gz PROJHLUGCPWZLE-SOFGYWHQSA-N 0 0 376.239 3.138 40 0 GGABRN Cc1cc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)ccc1Br ZINC000003437058 564197137 /nfs/dbraw/zinc/19/71/37/564197137.db2.gz MWZSJKNESMTBMK-UHFFFAOYSA-N 0 0 392.205 3.282 40 0 GGABRN C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)C(N)=O ZINC000003489317 564197957 /nfs/dbraw/zinc/19/79/57/564197957.db2.gz IVZFRMLKEAKRJT-SECBINFHSA-N 0 0 377.828 3.144 40 0 GGABRN CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(Nc2ccc(C)c(C)c2)s1 ZINC000003521437 564198098 /nfs/dbraw/zinc/19/80/98/564198098.db2.gz AQQNTBQLZSELGT-LLVKDONJSA-N 0 0 379.511 3.225 40 0 GGABRN CSc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000003561841 564198851 /nfs/dbraw/zinc/19/88/51/564198851.db2.gz AGNFQLCBXDIVAN-UHFFFAOYSA-N 0 0 376.503 3.445 40 0 GGABRN CN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc(Cl)cc2Cl)c1 ZINC000003603110 564199273 /nfs/dbraw/zinc/19/92/73/564199273.db2.gz BAZCOQYDCWHGOJ-UHFFFAOYSA-N 0 0 387.288 3.174 40 0 GGABRN Cc1cccc(NC(=O)CSc2nc3c(c(=O)n2C)S[C@H](C)C3)c1C ZINC000004107713 564200447 /nfs/dbraw/zinc/20/04/47/564200447.db2.gz KAFAGLBLYXMASU-LLVKDONJSA-N 0 0 375.519 3.165 40 0 GGABRN CCc1nnc(NC(=O)CSc2ncnc3sc4c(c32)CCC4)s1 ZINC000004183627 564200902 /nfs/dbraw/zinc/20/09/02/564200902.db2.gz NHLFDDWMIRQWMB-UHFFFAOYSA-N 0 0 377.520 3.325 40 0 GGABRN Cc1cc(C)cc(NC(=O)CSc2nc3c(c(=O)n2C)S[C@H](C)C3)c1 ZINC000004107721 564200933 /nfs/dbraw/zinc/20/09/33/564200933.db2.gz YCRZGDUERLGYJB-GFCCVEGCSA-N 0 0 375.519 3.165 40 0 GGABRN NC(=O)c1nn2c(c1Br)N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000004177412 564200970 /nfs/dbraw/zinc/20/09/70/564200970.db2.gz FKHQJDFPCVQFCY-FSPLSTOPSA-N 0 0 395.204 3.466 40 0 GGABRN Cc1ccc(NC(=O)CSc2nc3c(c(=O)n2C)S[C@@H](C)C3)c(C)c1 ZINC000004107720 564201172 /nfs/dbraw/zinc/20/11/72/564201172.db2.gz AOCRSFMVYONERG-LBPRGKRZSA-N 0 0 375.519 3.165 40 0 GGABRN Cc1sc2ncn3c(SCC(=O)Nc4nccs4)nnc3c2c1C ZINC000004130293 564201248 /nfs/dbraw/zinc/20/12/48/564201248.db2.gz FOXGPKUFOHALKM-UHFFFAOYSA-N 0 0 376.492 3.143 40 0 GGABRN Cc1ccc(S(=O)(=O)N2NC3=C(CCCCC3)[C@]2(O)C(F)(F)F)cc1 ZINC000004199209 564201254 /nfs/dbraw/zinc/20/12/54/564201254.db2.gz WNECODVNNWOQBE-HIFRSBDPSA-N 0 0 376.400 3.187 40 0 GGABRN C[C@@H]1Cc2nc(SCC(=O)Nc3ccc(Cl)cc3)n(C)c(=O)c2S1 ZINC000004107761 564201310 /nfs/dbraw/zinc/20/13/10/564201310.db2.gz HPSTZFHUGKPMDB-SECBINFHSA-N 0 0 381.910 3.201 40 0 GGABRN CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2c(c1=O)S[C@@H](C)C2 ZINC000004107862 564201449 /nfs/dbraw/zinc/20/14/49/564201449.db2.gz OIYBCTRNTRJLEW-LBPRGKRZSA-N 0 0 375.519 3.339 40 0 GGABRN Cc1ccc(C(=O)Nc2nnc(SCC(=O)N3CCCCC3)s2)cc1 ZINC000004247409 564202087 /nfs/dbraw/zinc/20/20/87/564202087.db2.gz ALNVQVLUJMSTRL-UHFFFAOYSA-N 0 0 376.507 3.203 40 0 GGABRN Cc1cc(C)n2nc(SCC(=O)N[C@H](C)c3ccccc3Cl)nc2n1 ZINC000004313331 564202593 /nfs/dbraw/zinc/20/25/93/564202593.db2.gz ONGITWLOYJAYEU-GFCCVEGCSA-N 0 0 375.885 3.364 40 0 GGABRN Cc1ccccc1-c1nnc2s/c(=C/c3ccc(Br)cc3)c(=O)n21 ZINC000004501502 564203148 /nfs/dbraw/zinc/20/31/48/564203148.db2.gz XYYQPHNHTCNHJS-XNTDXEJSSA-N 0 0 398.285 3.437 40 0 GGABRN Cc1sc2ncn3c(SCC(=O)NCc4cccs4)nnc3c2c1C ZINC000004817445 564207557 /nfs/dbraw/zinc/20/75/57/564207557.db2.gz VJRNUKYMDGXAPL-UHFFFAOYSA-N 0 0 389.531 3.426 40 0 GGABRN CCc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2CC)s1 ZINC000004860703 564208240 /nfs/dbraw/zinc/20/82/40/564208240.db2.gz RWOYIFVOZVKDOV-UHFFFAOYSA-N 0 0 378.483 3.011 40 0 GGABRN O=C(CSc1nnc(NC(=O)c2cccs2)s1)NC1CCCCC1 ZINC000004902931 564209160 /nfs/dbraw/zinc/20/91/60/564209160.db2.gz SMCQVBJYXUFNNX-UHFFFAOYSA-N 0 0 382.536 3.393 40 0 GGABRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1Cl ZINC000004968958 564210551 /nfs/dbraw/zinc/21/05/51/564210551.db2.gz LHGINMWNHHKLSZ-UHFFFAOYSA-N 0 0 380.853 3.058 40 0 GGABRN Cc1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1S(=O)(=O)N(C)C 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Nn1c(SCCCC(=O)c2ccc(Br)cc2)nnc1C1CC1 ZINC000008011136 564244678 /nfs/dbraw/zinc/24/46/78/564244678.db2.gz WGUSZHRGRWUELV-UHFFFAOYSA-N 0 0 381.299 3.387 40 0 GGABRN CSc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000008220357 564247306 /nfs/dbraw/zinc/24/73/06/564247306.db2.gz NIRHDPRVYKFHMO-NSHDSACASA-N 0 0 384.910 3.367 40 0 GGABRN CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)NCCSC ZINC000008300202 564248030 /nfs/dbraw/zinc/24/80/30/564248030.db2.gz CVTLGFCZBAEZBJ-KBPBESRZSA-N 0 0 383.945 3.093 40 0 biogenic,in-vitro GGABRN C[C@@H](Sc1nnc(-c2cccs2)n1N)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000008393998 564248687 /nfs/dbraw/zinc/24/86/87/564248687.db2.gz KCOBFPZXRLROPW-UMSGYPCISA-N 0 0 379.555 3.142 40 0 GGABRN O=C(Nc1cc2c(cc1Br)OCCO2)c1cnc2ccccc2n1 ZINC000008429403 564248773 /nfs/dbraw/zinc/24/87/73/564248773.db2.gz HPYDJZKZQDLXGO-UHFFFAOYSA-N 0 0 386.205 3.416 40 0 GGABRN Nn1c(SCc2cc(Cl)c3c(c2)OCCO3)nnc1-c1cccs1 ZINC000008428139 564249103 /nfs/dbraw/zinc/24/91/03/564249103.db2.gz HVYJXHUISNXLQL-UHFFFAOYSA-N 0 0 380.882 3.437 40 0 GGABRN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1cccc(Cl)c1 ZINC000008434679 564249169 /nfs/dbraw/zinc/24/91/69/564249169.db2.gz ISKOHCCYXSKOHJ-UHFFFAOYSA-N 0 0 393.624 3.337 40 0 GGABRN COc1c(Br)cc(Br)cc1CNn1cn[nH]c1=S ZINC000008469537 564249472 /nfs/dbraw/zinc/24/94/72/564249472.db2.gz GCKJZEGRLXMTJX-UHFFFAOYSA-N 0 0 394.092 3.218 40 0 GGABRN Cc1nnc(NC(=O)CCC(=O)O[C@@H](C)C(=O)c2cccc(Cl)c2)s1 ZINC000008474403 564249611 /nfs/dbraw/zinc/24/96/11/564249611.db2.gz OSYWBHHAMSIXSC-VIFPVBQESA-N 0 0 381.841 3.033 40 0 GGABRN Cc1cnc(NC(=O)Cn2nc(COc3ccccc3C)oc2=S)s1 ZINC000008571620 564249631 /nfs/dbraw/zinc/24/96/31/564249631.db2.gz YRKBEZSRBQOCFV-UHFFFAOYSA-N 0 0 376.463 3.497 40 0 GGABRN COc1ccc(C(=O)Nc2ccccc2Cl)cc1S(=O)(=O)NC(C)C ZINC000008475878 564250010 /nfs/dbraw/zinc/25/00/10/564250010.db2.gz QIURABWRBNZFQG-UHFFFAOYSA-N 0 0 382.869 3.288 40 0 GGABRN COc1ccc(Br)cc1CN(C)[C@H](C)C(=O)Nc1cc(C)on1 ZINC000008530354 564250103 /nfs/dbraw/zinc/25/01/03/564250103.db2.gz OWECBZMDEUMPFX-LLVKDONJSA-N 0 0 382.258 3.213 40 0 GGABRN Cc1cccc(C)c1NC(=O)CNC(=O)CNc1ccc(Br)cc1 ZINC000008707260 564250683 /nfs/dbraw/zinc/25/06/83/564250683.db2.gz FXDNRWBDPMRALF-UHFFFAOYSA-N 0 0 390.281 3.233 40 0 GGABRN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc(Cl)cc1 ZINC000008726489 564250778 /nfs/dbraw/zinc/25/07/78/564250778.db2.gz KEBHLYMMVBNARV-UHFFFAOYSA-N 0 0 384.910 3.116 40 0 GGABRN O=S(=O)(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000008663437 564250837 /nfs/dbraw/zinc/25/08/37/564250837.db2.gz IIDRPSSKFQUUIN-INIZCTEOSA-N 0 0 395.322 3.002 40 0 GGABRN CS(=O)(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000008662705 564250997 /nfs/dbraw/zinc/25/09/97/564250997.db2.gz CNYRGJHYLVYBMP-UHFFFAOYSA-N 0 0 387.288 3.394 40 0 GGABRN COC(=O)c1ccc2nc(NC(=S)NC(=O)c3cccs3)sc2c1 ZINC000008904330 564251818 /nfs/dbraw/zinc/25/18/18/564251818.db2.gz VSYQKNYIVZLYKI-UHFFFAOYSA-N 0 0 377.472 3.271 40 0 GGABRN C[C@H](Sc1nncn1-c1ccccc1F)C(=O)NCCc1cccs1 ZINC000009375981 564252891 /nfs/dbraw/zinc/25/28/91/564252891.db2.gz YCZHHXKGMMRAAC-LBPRGKRZSA-N 0 0 376.482 3.307 40 0 GGABRN COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1C(=O)NC(C)C ZINC000010008972 564255306 /nfs/dbraw/zinc/25/53/06/564255306.db2.gz FZPUTUYDMONYOD-UHFFFAOYSA-N 0 0 382.869 3.288 40 0 GGABRN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(Br)c2)cc1 ZINC000010039264 564255458 /nfs/dbraw/zinc/25/54/58/564255458.db2.gz IVMGNSCLXPSGTJ-LBPRGKRZSA-N 0 0 397.294 3.063 40 0 GGABRN CN(C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccccc1 ZINC000010286056 564255953 /nfs/dbraw/zinc/25/59/53/564255953.db2.gz RUTGJWMQFHNUNA-UHFFFAOYSA-N 0 0 387.288 3.422 40 0 GGABRN Cc1ccc(Nc2nnc(S[C@H](C)C(=O)N3CCOCC3)s2)cc1C ZINC000010212267 564256241 /nfs/dbraw/zinc/25/62/41/564256241.db2.gz KDZAZUIOUJNUFN-CYBMUJFWSA-N 0 0 378.523 3.238 40 0 GGABRN COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nnc(N)s1 ZINC000010157753 564256320 /nfs/dbraw/zinc/25/63/20/564256320.db2.gz CZQKLIWIUHPMMG-UHFFFAOYSA-N 0 0 376.507 3.450 40 0 GGABRN COc1ccc(N([C@H](C)C(=O)Nc2ccccc2)S(C)(=O)=O)cc1Cl ZINC000010332706 564257026 /nfs/dbraw/zinc/25/70/26/564257026.db2.gz BSIYWUUXKYWWCP-GFCCVEGCSA-N 0 0 382.869 3.142 40 0 GGABRN Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCSCc1ccccc1 ZINC000010331579 564257320 /nfs/dbraw/zinc/25/73/20/564257320.db2.gz SWJRQILJQPWXGN-UHFFFAOYSA-N 0 0 378.519 3.030 40 0 GGABRN Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1NS(C)(=O)=O ZINC000010329567 564257431 /nfs/dbraw/zinc/25/74/31/564257431.db2.gz XLPPGXGRHMYESX-UHFFFAOYSA-N 0 0 383.267 3.381 40 0 GGABRN Cc1ccc(SCCNC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 ZINC000010315112 564257484 /nfs/dbraw/zinc/25/74/84/564257484.db2.gz WXCVWDNGLLKPGE-UHFFFAOYSA-N 0 0 378.519 3.197 40 0 GGABRN CS(=O)(=O)N(CC(=O)N1CCCc2ccccc21)c1cccc(Cl)c1 ZINC000010449539 564257994 /nfs/dbraw/zinc/25/79/94/564257994.db2.gz QCBFFLFJOVVFKY-UHFFFAOYSA-N 0 0 378.881 3.085 40 0 GGABRN Cc1cccc(CNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 ZINC000010448225 564258215 /nfs/dbraw/zinc/25/82/15/564258215.db2.gz QXFBKUJMYXOGMB-AWEZNQCLSA-N 0 0 380.897 3.119 40 0 GGABRN COC(=O)C1CCN(C(=O)CSCc2ccccc2Br)CC1 ZINC000010541850 564258990 /nfs/dbraw/zinc/25/89/90/564258990.db2.gz SVWKNVSMEWNSJC-UHFFFAOYSA-N 0 0 386.311 3.094 40 0 GGABRN Cc1ccc(Cl)cc1N(CCCC(=O)N1CCC[C@H](C)C1)S(C)(=O)=O ZINC000010541687 564259239 /nfs/dbraw/zinc/25/92/39/564259239.db2.gz IJZACBQLRHCVST-AWEZNQCLSA-N 0 0 386.945 3.453 40 0 GGABRN CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Br)s2)cc1 ZINC000010549632 564259243 /nfs/dbraw/zinc/25/92/43/564259243.db2.gz LDWCVFCQPJDSJM-UHFFFAOYSA-N 0 0 375.269 3.134 40 0 GGABRN C[C@H]1CCCN(C(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)C1 ZINC000010541416 564259252 /nfs/dbraw/zinc/25/92/52/564259252.db2.gz SQJTZYDJZGXSPF-NSHDSACASA-N 0 0 379.309 3.018 40 0 GGABRN COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(F)c(C)c1 ZINC000010676088 564259821 /nfs/dbraw/zinc/25/98/21/564259821.db2.gz PHAOSMASCNVAHU-UHFFFAOYSA-N 0 0 388.258 3.384 40 0 GGABRN C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000010968253 564261027 /nfs/dbraw/zinc/26/10/27/564261027.db2.gz MHLQQOAIMIARTA-STQMWFEESA-N 0 0 381.881 3.388 40 0 GGABRN Cc1cc(NC(=O)C[C@H](NC(N)=O)c2ccccc2)ccc1Br ZINC000010917226 564261099 /nfs/dbraw/zinc/26/10/99/564261099.db2.gz RPERVLNNPICXHL-HNNXBMFYSA-N 0 0 376.254 3.496 40 0 GGABRN CC(=O)N1CCc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000012068292 564266013 /nfs/dbraw/zinc/26/60/13/564266013.db2.gz CXGHXOZQPUJOBI-UHFFFAOYSA-N 0 0 395.278 3.159 40 0 GGABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000012199971 564266588 /nfs/dbraw/zinc/26/65/88/564266588.db2.gz REUBLMZLZMKGEC-UHFFFAOYSA-N 0 0 378.837 3.103 40 0 GGABRN Cc1nc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2N)sc1C ZINC000012263113 564267345 /nfs/dbraw/zinc/26/73/45/564267345.db2.gz JEARSKOTXFWOMY-UHFFFAOYSA-N 0 0 394.913 3.116 40 0 GGABRN O=C(CNC(=O)c1cncn1-c1ccccc1)Nc1ccccc1Br ZINC000012506573 564268569 /nfs/dbraw/zinc/26/85/69/564268569.db2.gz UJERHHAOIKULIV-UHFFFAOYSA-N 0 0 399.248 3.003 40 0 GGABRN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NC(C)=O ZINC000012548525 564269639 /nfs/dbraw/zinc/26/96/39/564269639.db2.gz SLCHQLLJMSJZEG-UHFFFAOYSA-N 0 0 399.266 3.217 40 0 GGABRN CNc1nnc(S[C@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)s1 ZINC000012854817 564271322 /nfs/dbraw/zinc/27/13/22/564271322.db2.gz IZBOMYBBHALCIR-LBPRGKRZSA-N 0 0 380.470 3.033 40 0 GGABRN CS(=O)(=O)Nc1cccc(CNC(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000012788387 564271425 /nfs/dbraw/zinc/27/14/25/564271425.db2.gz SQFFIAMXNLGHPG-UHFFFAOYSA-N 0 0 387.288 3.224 40 0 GGABRN O=C(OCc1ccc(F)cc1Cl)c1cccc(N2CCCS2(=O)=O)c1 ZINC000012887713 564272826 /nfs/dbraw/zinc/27/28/26/564272826.db2.gz RVPXMLGQFASJBZ-UHFFFAOYSA-N 0 0 383.828 3.376 40 0 GGABRN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCc1ccccc1Cl ZINC000012937583 564272871 /nfs/dbraw/zinc/27/28/71/564272871.db2.gz AUMLKIJBZHHAIR-UHFFFAOYSA-N 0 0 378.881 3.019 40 0 GGABRN O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(Cl)c(Cl)c1 ZINC000013009189 564273237 /nfs/dbraw/zinc/27/32/37/564273237.db2.gz NMVLCJUGVFYQAB-UHFFFAOYSA-N 0 0 398.271 3.061 40 0 GGABRN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000013018923 564273623 /nfs/dbraw/zinc/27/36/23/564273623.db2.gz LQSRTSCHTYGYBV-KGLIPLIRSA-N 0 0 380.897 3.193 40 0 GGABRN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000013018919 564273745 /nfs/dbraw/zinc/27/37/45/564273745.db2.gz LQSRTSCHTYGYBV-KBPBESRZSA-N 0 0 380.897 3.193 40 0 GGABRN O=S(=O)(Nc1ccccc1Cl)c1ccn(S(=O)(=O)c2ccccc2)c1 ZINC000013585708 564277446 /nfs/dbraw/zinc/27/74/46/564277446.db2.gz OXEJOLODVQURQQ-UHFFFAOYSA-N 0 0 396.877 3.179 40 0 GGABRN CS(=O)(=O)N(CCCC(=O)N1CCCC1)c1cc(Cl)ccc1Cl ZINC000013997721 564278512 /nfs/dbraw/zinc/27/85/12/564278512.db2.gz ZMDIRBJCTRNYAZ-UHFFFAOYSA-N 0 0 379.309 3.162 40 0 GGABRN O=C(CSc1n[nH]c(COc2ccc(Cl)cc2)n1)Nc1nccs1 ZINC000014152736 564279349 /nfs/dbraw/zinc/27/93/49/564279349.db2.gz AJHBNXPLDVCELP-UHFFFAOYSA-N 0 0 381.870 3.224 40 0 GGABRN CCN1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000014094295 564279365 /nfs/dbraw/zinc/27/93/65/564279365.db2.gz HUQRPNGQZUWSNQ-GFCCVEGCSA-N 0 0 380.901 3.035 40 0 GGABRN CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000014252715 564280682 /nfs/dbraw/zinc/28/06/82/564280682.db2.gz DJMXHGWKSMSWSO-UHFFFAOYSA-N 0 0 389.304 3.234 40 0 GGABRN O=C(Nc1ccccc1Br)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000119645060 564280812 /nfs/dbraw/zinc/28/08/12/564280812.db2.gz GHJQSCVRBKKFGC-UHFFFAOYSA-N 0 0 388.196 3.386 40 0 GGABRN CC(=O)c1ccc(S(=O)(=O)NCCc2ccc(Br)s2)cc1 ZINC000014210437 564280939 /nfs/dbraw/zinc/28/09/39/564280939.db2.gz RONBDHXYGJKUBP-UHFFFAOYSA-N 0 0 388.308 3.234 40 0 GGABRN CC(C)(C)SCCNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000014401922 564282818 /nfs/dbraw/zinc/28/28/18/564282818.db2.gz BOAZCPMKEWLFLS-UHFFFAOYSA-N 0 0 390.546 3.020 40 0 GGABRN COc1ccc(Br)cc1C(=O)NC(=S)NCc1ccccc1 ZINC000014784336 564283201 /nfs/dbraw/zinc/28/32/01/564283201.db2.gz SYMYQBKIMYAPJA-UHFFFAOYSA-N 0 0 379.279 3.262 40 0 GGABRN NC(=O)c1ccc(NC(=O)CSCc2cccc(Br)c2)cc1 ZINC000014830503 564283550 /nfs/dbraw/zinc/28/35/50/564283550.db2.gz CVACHISHZMCVNZ-UHFFFAOYSA-N 0 0 379.279 3.420 40 0 GGABRN NS(=O)(=O)c1cc(C(=O)Nc2cc(F)ccc2F)c(Cl)cc1Cl ZINC000015564447 564288101 /nfs/dbraw/zinc/28/81/01/564288101.db2.gz IJOSPNASMOXOSH-UHFFFAOYSA-N 0 0 381.187 3.171 40 0 GGABRN CC(C)CNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000015590682 564289003 /nfs/dbraw/zinc/28/90/03/564289003.db2.gz XCYXFJSKXDIGEH-UHFFFAOYSA-N 0 0 393.336 3.166 40 0 GGABRN O=C(CSc1nc(=O)c2ccsc2[nH]1)Nc1ccccc1Br ZINC000016543453 564294339 /nfs/dbraw/zinc/29/43/39/564294339.db2.gz ZVEWIQSPICCJIB-UHFFFAOYSA-N 0 0 396.291 3.478 40 0 GGABRN NC(=O)c1ccc(COC(=O)COc2ccc(Cl)cc2Br)cc1 ZINC000016811977 564296210 /nfs/dbraw/zinc/29/62/10/564296210.db2.gz WHTAYIDFEXFARH-UHFFFAOYSA-N 0 0 398.640 3.324 40 0 GGABRN CN(CCNC(=O)c1cccc(I)c1)c1ccccc1 ZINC000016724218 564296299 /nfs/dbraw/zinc/29/62/99/564296299.db2.gz UYROOIGOJOKWJO-UHFFFAOYSA-N 0 0 380.229 3.157 40 0 GGABRN O=C1CS[C@@]2(C(=O)Nc3ccc(Br)cc32)N1c1ccccc1 ZINC000017076745 564297285 /nfs/dbraw/zinc/29/72/85/564297285.db2.gz NEPRHMDYLIAIQV-INIZCTEOSA-N 0 0 375.247 3.334 40 0 GGABRN CCCN(C(=O)c1csc(-c2ccc(C)cc2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000017365580 564298376 /nfs/dbraw/zinc/29/83/76/564298376.db2.gz LNXCEXVOAWQUFP-OAHLLOKOSA-N 0 0 378.519 3.158 40 0 GGABRN NS(=O)(=O)c1cc(C(=O)OCc2ccccc2C(F)(F)F)ccc1Cl ZINC000018767821 564302033 /nfs/dbraw/zinc/30/20/33/564302033.db2.gz ODICWGOWUQBXBV-UHFFFAOYSA-N 0 0 393.770 3.363 40 0 GGABRN CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000019171152 564302981 /nfs/dbraw/zinc/30/29/81/564302981.db2.gz NMLGUSUATJSWGU-UHFFFAOYSA-N 0 0 387.288 3.473 40 0 GGABRN CNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000019170229 564303414 /nfs/dbraw/zinc/30/34/14/564303414.db2.gz DZYPOYIASXALLN-UHFFFAOYSA-N 0 0 387.288 3.473 40 0 GGABRN Cc1ccc(-c2nnc([C@H](C)Sc3nnc(SCC(N)=O)s3)o2)cc1 ZINC000019298022 564303463 /nfs/dbraw/zinc/30/34/63/564303463.db2.gz LNSXDZZOCRPLPA-VIFPVBQESA-N 0 0 393.519 3.327 40 0 GGABRN COc1ccc(Br)cc1COC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000019418502 564303549 /nfs/dbraw/zinc/30/35/49/564303549.db2.gz OAYQHURHFKVOLD-UHFFFAOYSA-N 0 0 392.205 3.146 40 0 GGABRN Cc1cccc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)c1 ZINC000019946463 564304123 /nfs/dbraw/zinc/30/41/23/564304123.db2.gz KIWCESRACHNOEI-UHFFFAOYSA-N 0 0 397.294 3.162 40 0 GGABRN Cc1cccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1 ZINC000019855563 564304412 /nfs/dbraw/zinc/30/44/12/564304412.db2.gz MLJUSDWFRMINGN-UHFFFAOYSA-N 0 0 397.294 3.162 40 0 GGABRN COc1ccc(C(=O)NCCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000020251003 564305326 /nfs/dbraw/zinc/30/53/26/564305326.db2.gz DHODXQLQOLHRPP-UHFFFAOYSA-N 0 0 377.238 3.216 40 0 GGABRN Cc1ccc(S(=O)(=O)N2NC3=C(CCCCC3)[C@@]2(O)C(F)(F)F)cc1 ZINC000020035428 564305386 /nfs/dbraw/zinc/30/53/86/564305386.db2.gz WNECODVNNWOQBE-DZGCQCFKSA-N 0 0 376.400 3.187 40 0 GGABRN O=C(COc1ccc(Br)cc1Br)Nc1nncs1 ZINC000021213641 564309043 /nfs/dbraw/zinc/30/90/43/564309043.db2.gz SFBTXUORPJUBDE-UHFFFAOYSA-N 0 0 393.060 3.081 40 0 GGABRN Cc1occc1-c1nnc(SCc2cccc(S(=O)(=O)N(C)C)c2)o1 ZINC000022122763 564314193 /nfs/dbraw/zinc/31/41/93/564314193.db2.gz BHHONYBSWTVTDD-UHFFFAOYSA-N 0 0 379.463 3.181 40 0 GGABRN COc1ccc(CN(C(=O)CSc2nnc(CSC)o2)C2CC2)cc1 ZINC000022094599 564314339 /nfs/dbraw/zinc/31/43/39/564314339.db2.gz NEARWGSRLAWKSM-UHFFFAOYSA-N 0 0 379.507 3.225 40 0 GGABRN CCN(CC)c1nc(O)c(CC(=O)Nc2cc(C)c(Cl)cc2OC)s1 ZINC000022195122 564314870 /nfs/dbraw/zinc/31/48/70/564314870.db2.gz TZXWYSOALUJYPY-CQSZACIVSA-N 0 0 383.901 3.325 40 0 GGABRN Cc1ccc(N(CC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)cc1Cl ZINC000022273609 564314911 /nfs/dbraw/zinc/31/49/11/564314911.db2.gz YMEKWCLVLQRFOG-UHFFFAOYSA-N 0 0 380.897 3.073 40 0 GGABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)c2cccc(Cl)c2)cc1 ZINC000022275885 564314962 /nfs/dbraw/zinc/31/49/62/564314962.db2.gz RZJVDDZTEDKLPF-UHFFFAOYSA-N 0 0 380.897 3.368 40 0 GGABRN Cc1c(Cl)cccc1NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000022230542 564315003 /nfs/dbraw/zinc/31/50/03/564315003.db2.gz CJWYUTCNUJTGSE-UHFFFAOYSA-N 0 0 382.869 3.062 40 0 GGABRN O=C(Nc1nnc(C2CC2)s1)C1(S(=O)(=O)c2ccccc2)CCCC1 ZINC000022240387 564315388 /nfs/dbraw/zinc/31/53/88/564315388.db2.gz VVVNDLQLZCPHOU-UHFFFAOYSA-N 0 0 377.491 3.141 40 0 GGABRN Cc1cc(Cl)ccc1N(CC(=O)NC(C)C)S(=O)(=O)c1ccccc1 ZINC000022274750 564315546 /nfs/dbraw/zinc/31/55/46/564315546.db2.gz NMQVSUITJSPAHH-UHFFFAOYSA-N 0 0 380.897 3.368 40 0 GGABRN O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)Nc1cccnc1Cl ZINC000022374471 564315937 /nfs/dbraw/zinc/31/59/37/564315937.db2.gz POFMIXVOURPLIY-UHFFFAOYSA-N 0 0 379.291 3.145 40 0 GGABRN Cc1cc(C)c(N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O)c(C)c1 ZINC000022389038 564316144 /nfs/dbraw/zinc/31/61/44/564316144.db2.gz PSJSBORAARSGGD-UHFFFAOYSA-N 0 0 386.583 3.026 40 0 GGABRN CCN(CC)c1nc(O)c(CC(=O)Nc2ccccc2Br)s1 ZINC000022357489 564316665 /nfs/dbraw/zinc/31/66/65/564316665.db2.gz ALFLCMLURRZVSO-LBPRGKRZSA-N 0 0 384.299 3.118 40 0 GGABRN CS(=O)(=O)Nc1ccc(C(=O)NCCSCc2ccccc2)c(Cl)c1 ZINC000022516670 564317140 /nfs/dbraw/zinc/31/71/40/564317140.db2.gz ATEUICPRFMMBDZ-UHFFFAOYSA-N 0 0 398.937 3.375 40 0 GGABRN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(F)c2)ccc1Cl ZINC000022528560 564317459 /nfs/dbraw/zinc/31/74/59/564317459.db2.gz UDOHMBUWVIGBNE-UHFFFAOYSA-N 0 0 387.816 3.465 40 0 GGABRN Cc1nccn1-c1ccccc1CNS(=O)(=O)Cc1cccc(Cl)c1 ZINC000022512731 564317531 /nfs/dbraw/zinc/31/75/31/564317531.db2.gz WNPFMTIQRNNLBQ-UHFFFAOYSA-N 0 0 375.881 3.454 40 0 GGABRN COc1ccccc1[C@H](NC(=O)c1ccc(Br)o1)c1nccn1C ZINC000022750188 564319359 /nfs/dbraw/zinc/31/93/59/564319359.db2.gz SCVAUCFJKIXKJL-HNNXBMFYSA-N 0 0 390.237 3.304 40 0 GGABRN CS(=O)(=O)Nc1cccc(C(=O)OCc2cccc(Br)c2)c1 ZINC000022840154 564320460 /nfs/dbraw/zinc/32/04/60/564320460.db2.gz PJKURTOXNMMVSJ-UHFFFAOYSA-N 0 0 384.251 3.178 40 0 GGABRN Cc1csc2nc(CN3CCN(Cc4ccc(Cl)s4)CC3)cc(=O)n12 ZINC000022877427 564320462 /nfs/dbraw/zinc/32/04/62/564320462.db2.gz IXDYCGQESNWDNT-UHFFFAOYSA-N 0 0 394.953 3.097 40 0 GGABRN O=C(c1ccc(Br)cc1F)N1CCC(C(=O)N2CCCC2)CC1 ZINC000022991696 564321277 /nfs/dbraw/zinc/32/12/77/564321277.db2.gz FFZAUMONMQTPFW-UHFFFAOYSA-N 0 0 383.261 3.063 40 0 GGABRN CN(Cc1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000023026481 564321403 /nfs/dbraw/zinc/32/14/03/564321403.db2.gz CCZRQQCDUYXGAZ-UHFFFAOYSA-N 0 0 378.881 3.053 40 0 GGABRN Cn1c(SCc2noc(C(C)(C)C)n2)nc2sc3c(c2c1=O)CCC3 ZINC000023079252 564322342 /nfs/dbraw/zinc/32/23/42/564322342.db2.gz NQXRMKADQJTZDO-UHFFFAOYSA-N 0 0 376.507 3.457 40 0 GGABRN CN(Cc1ccccc1Br)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000023216501 564323266 /nfs/dbraw/zinc/32/32/66/564323266.db2.gz IDDINZFHBWFGIZ-UHFFFAOYSA-N 0 0 398.278 3.041 40 0 GGABRN COC(=O)c1sccc1S(=O)(=O)Oc1ccc(C)c2c1C(=O)C[C@H]2C ZINC000023435053 564324244 /nfs/dbraw/zinc/32/42/44/564324244.db2.gz HQNKOLMUSWCMLK-SNVBAGLBSA-N 0 0 380.443 3.301 40 0 GGABRN Cc1nn(C)c2ncc(C(=O)NCCc3ccc(Br)s3)cc12 ZINC000023758057 564326188 /nfs/dbraw/zinc/32/61/88/564326188.db2.gz WFEVXWLDBSIESQ-UHFFFAOYSA-N 0 0 379.283 3.073 40 0 GGABRN COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2Br)c1 ZINC000024357587 564329288 /nfs/dbraw/zinc/32/92/88/564329288.db2.gz PPYOOVPKUSJAJJ-LLVKDONJSA-N 0 0 398.278 3.275 40 0 GGABRN O=C(NCc1ccccc1CN1CCOCC1)c1ccccc1Br ZINC000024378584 564330579 /nfs/dbraw/zinc/33/05/79/564330579.db2.gz LUFHVNDNJFBCEU-UHFFFAOYSA-N 0 0 389.293 3.211 40 0 GGABRN CS(=O)(=O)Nc1ccccc1NC(=O)c1csc(-c2ccsc2)n1 ZINC000024889899 564335008 /nfs/dbraw/zinc/33/50/08/564335008.db2.gz OHVDXRYNPBRYPM-UHFFFAOYSA-N 0 0 379.488 3.495 40 0 GGABRN COC(=O)C[C@H](NC(=O)c1cc(Cl)c(OC)c(OC)c1)c1cccs1 ZINC000025079756 564335883 /nfs/dbraw/zinc/33/58/83/564335883.db2.gz BCSHHFGLEYHSCG-LBPRGKRZSA-N 0 0 383.853 3.453 40 0 GGABRN O=C(NCCc1ccc(Br)s1)c1ccc2c(c1)CCC(=O)N2 ZINC000025076318 564336025 /nfs/dbraw/zinc/33/60/25/564336025.db2.gz QCIOUTSOPRDBEL-UHFFFAOYSA-N 0 0 379.279 3.368 40 0 GGABRN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000120801899 564337906 /nfs/dbraw/zinc/33/79/06/564337906.db2.gz PKJCAEHDKDEJMY-UHFFFAOYSA-N 0 0 380.274 3.198 40 0 GGABRN COC(=O)c1ccc(OCC(=O)NCCc2cccs2)c(Br)c1 ZINC000025456554 564338660 /nfs/dbraw/zinc/33/86/60/564338660.db2.gz JSTQAWDIHRCGSY-UHFFFAOYSA-N 0 0 398.278 3.035 40 0 GGABRN CCCCNS(=O)(=O)c1ccc(SC)c(C(=O)N2CCC(C)CC2)c1 ZINC000026118989 564344341 /nfs/dbraw/zinc/34/43/41/564344341.db2.gz MTQMDACYVWNTHT-UHFFFAOYSA-N 0 0 384.567 3.359 40 0 GGABRN CSc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N1CCC(C)CC1 ZINC000026118062 564344516 /nfs/dbraw/zinc/34/45/16/564344516.db2.gz GJILVCXHCKUYRV-UHFFFAOYSA-N 0 0 384.567 3.357 40 0 GGABRN CN(CCOc1ccc(Cl)cc1)C(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000026367703 564347143 /nfs/dbraw/zinc/34/71/43/564347143.db2.gz UQGAGDOKRARUAB-UHFFFAOYSA-N 0 0 381.881 3.036 40 0 GGABRN CN(C1CCCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000026766553 564349888 /nfs/dbraw/zinc/34/98/88/564349888.db2.gz ZZPQSFDOSORZTQ-UHFFFAOYSA-N 0 0 381.466 3.026 40 0 GGABRN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1csc2c1CCCC2 ZINC000027154132 564352657 /nfs/dbraw/zinc/35/26/57/564352657.db2.gz WCBIEHMOUWRWEL-LBPRGKRZSA-N 0 0 378.519 3.108 40 0 GGABRN C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000027348829 564353703 /nfs/dbraw/zinc/35/37/03/564353703.db2.gz LHYNJQHOPMEXBV-VIFPVBQESA-N 0 0 391.251 3.438 40 0 GGABRN Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)NCc1ccco1 ZINC000027936214 564357889 /nfs/dbraw/zinc/35/78/89/564357889.db2.gz IQQLFFXYACKOOB-MRVPVSSYSA-N 0 0 380.164 3.443 40 0 GGABRN Cc1nn(Cc2ccc(C(=O)NC[C@H]3CCCO3)cc2)c(C)c1Br ZINC000027970214 564358125 /nfs/dbraw/zinc/35/81/25/564358125.db2.gz FZWWVMYUGMZVHP-MRXNPFEDSA-N 0 0 392.297 3.220 40 0 GGABRN CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1Cl ZINC000028208261 564360620 /nfs/dbraw/zinc/36/06/20/564360620.db2.gz CFHZOYXVYDNKGA-ZDUSSCGKSA-N 0 0 390.933 3.054 40 0 GGABRN Cc1ccc(Cl)cc1NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000028208355 564360739 /nfs/dbraw/zinc/36/07/39/564360739.db2.gz RTWXIIFZDTUOCK-UHFFFAOYSA-N 0 0 380.897 3.470 40 0 GGABRN O=C(N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1ccccc1Br ZINC000028283930 564361725 /nfs/dbraw/zinc/36/17/25/564361725.db2.gz DJMAZQBTMHJRCM-STQMWFEESA-N 0 0 397.294 3.186 40 0 GGABRN O=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1ccccc1Br ZINC000028283928 564361787 /nfs/dbraw/zinc/36/17/87/564361787.db2.gz DJMAZQBTMHJRCM-OLZOCXBDSA-N 0 0 397.294 3.186 40 0 GGABRN COc1ccc([C@H]2NC(=S)N=C(C)C2C(=O)OC(C)C)cc1Br ZINC000028724705 564363556 /nfs/dbraw/zinc/36/35/56/564363556.db2.gz ARBLWBWNMVWVIC-CQSZACIVSA-N 0 0 399.310 3.202 40 0 GGABRN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1Br ZINC000028727445 564365146 /nfs/dbraw/zinc/36/51/46/564365146.db2.gz KQOBOISSWWCOFP-LBPRGKRZSA-N 0 0 383.311 3.290 40 0 GGABRN COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1Br ZINC000028940280 564366302 /nfs/dbraw/zinc/36/63/02/564366302.db2.gz NLDCGJBZXGKFOF-UHFFFAOYSA-N 0 0 388.258 3.118 40 0 GGABRN CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000029431271 564370249 /nfs/dbraw/zinc/37/02/49/564370249.db2.gz PVGMBWZWUSWERL-HZPDHXFCSA-N 0 0 386.583 3.481 40 0 GGABRN COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000030324831 564379101 /nfs/dbraw/zinc/37/91/01/564379101.db2.gz XAUIBYUIPUOHFI-NSHDSACASA-N 0 0 385.869 3.405 40 0 GGABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1Cl ZINC000030750810 564384371 /nfs/dbraw/zinc/38/43/71/564384371.db2.gz LAALZKBVKAQZLD-NSHDSACASA-N 0 0 385.869 3.405 40 0 GGABRN CSc1nc2ncc3c(ccn(-c4ccc(Cl)c(Cl)c4)c3=O)n2n1 ZINC000030875324 564385396 /nfs/dbraw/zinc/38/53/96/564385396.db2.gz APPVBEVTROVWPZ-UHFFFAOYSA-N 0 0 378.244 3.457 40 0 GGABRN C[C@@H](CCc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl ZINC000030856309 564385566 /nfs/dbraw/zinc/38/55/66/564385566.db2.gz DFPAXRRJEAVMDD-ZDUSSCGKSA-N 0 0 380.897 3.463 40 0 GGABRN COC(=O)C[C@@H](NC(=O)Cc1cn2ccsc2n1)c1ccccc1Cl ZINC000031376697 564389074 /nfs/dbraw/zinc/38/90/74/564389074.db2.gz BBFJCXPUOBTCEN-CQSZACIVSA-N 0 0 377.853 3.012 40 0 GGABRN Cc1ccc(NC(=O)c2cccnc2N(C)C)cc1I ZINC000031689838 564390585 /nfs/dbraw/zinc/39/05/85/564390585.db2.gz QZPOPZDLAVCIPW-UHFFFAOYSA-N 0 0 381.217 3.313 40 0 GGABRN O=C(CN1C(=O)COc2cc(Br)ccc21)Nc1ccc(Cl)cc1 ZINC000031730379 564391558 /nfs/dbraw/zinc/39/15/58/564391558.db2.gz OPJHISNSRNWQQL-UHFFFAOYSA-N 0 0 395.640 3.467 40 0 GGABRN CC(C)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000032439682 564400808 /nfs/dbraw/zinc/40/08/08/564400808.db2.gz VKQMESPYXZOKMO-LBPRGKRZSA-N 0 0 393.336 3.166 40 0 GGABRN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000032611056 564403080 /nfs/dbraw/zinc/40/30/80/564403080.db2.gz RNXLWGZZZZZOSY-UHFFFAOYSA-N 0 0 381.307 3.302 40 0 GGABRN C[C@H]1Oc2ccc(NC(=O)/C=C/c3ccc(Br)o3)cc2NC1=O ZINC000032772793 564405672 /nfs/dbraw/zinc/40/56/72/564405672.db2.gz LNUORTORIKBACM-ILFKPUCNSA-N 0 0 377.194 3.413 40 0 GGABRN O=C(CN1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl)NC1CCCC1 ZINC000032825506 564406827 /nfs/dbraw/zinc/40/68/27/564406827.db2.gz NTCPPKFLOKXCEO-INIZCTEOSA-N 0 0 384.307 3.455 40 0 GGABRN Cc1ccc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)cc1I ZINC000032902046 564407455 /nfs/dbraw/zinc/40/74/55/564407455.db2.gz WXTOMIUDJKVCRL-JTQLQIEISA-N 0 0 388.249 3.089 40 0 GGABRN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000032906646 564407520 /nfs/dbraw/zinc/40/75/20/564407520.db2.gz QEVIFAYAMLATSG-UHFFFAOYSA-N 0 0 380.274 3.198 40 0 GGABRN CN(C)C(=O)c1ccc(CNC(=O)c2cc(Br)ccc2F)cc1 ZINC000032905516 564407548 /nfs/dbraw/zinc/40/75/48/564407548.db2.gz QWQAYGAQGZWPNU-UHFFFAOYSA-N 0 0 379.229 3.220 40 0 GGABRN O=C(NCc1ccc(Br)s1)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000033167578 564410809 /nfs/dbraw/zinc/41/08/09/564410809.db2.gz URCKLLMXYGPHQW-CYBMUJFWSA-N 0 0 383.242 3.459 40 0 GGABRN CC(=O)Oc1ccc(C(=O)COC(=O)c2ccccc2Br)cc1 ZINC000033662639 564413988 /nfs/dbraw/zinc/41/39/88/564413988.db2.gz NHESPOWUOYDGIB-UHFFFAOYSA-N 0 0 377.190 3.414 40 0 GGABRN COCc1nc2ccccc2n1S(=O)(=O)c1ccc(Br)cc1 ZINC000035288763 564414896 /nfs/dbraw/zinc/41/48/96/564414896.db2.gz KCRVGIYPLAZGGJ-UHFFFAOYSA-N 0 0 381.251 3.182 40 0 GGABRN C[C@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1cccc(Br)c1 ZINC000036394349 564417146 /nfs/dbraw/zinc/41/71/46/564417146.db2.gz ONNTVJGPOGRZIN-GXSJLCMTSA-N 0 0 393.203 3.037 40 0 GGABRN Cc1cccc(NC(=O)C[C@@H](NC(N)=O)c2ccc(Br)cc2)c1 ZINC000036390906 564417473 /nfs/dbraw/zinc/41/74/73/564417473.db2.gz ZDZMYIYEYMXCOK-OAHLLOKOSA-N 0 0 376.254 3.496 40 0 GGABRN COc1ccc(N2C(=O)C[C@@H](Nc3ccc(Br)cc3)C2=O)cc1 ZINC000036635639 564418764 /nfs/dbraw/zinc/41/87/64/564418764.db2.gz JBONBHFIDMINIK-OAHLLOKOSA-N 0 0 375.222 3.202 40 0 GGABRN CN(C)[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000038629174 564423106 /nfs/dbraw/zinc/42/31/06/564423106.db2.gz ABHBPHQGBFVIJA-ZDUSSCGKSA-N 0 0 378.441 3.348 40 0 GGABRN O=C1C[C@H](c2cc(Br)ccc2OCc2ccccc2)N2N=CNC2=N1 ZINC000038185868 564423145 /nfs/dbraw/zinc/42/31/45/564423145.db2.gz JLQKMQYZGAAFRM-OAHLLOKOSA-N 0 0 399.248 3.204 40 0 GGABRN CN(C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)C1CCCC1 ZINC000038755810 564424253 /nfs/dbraw/zinc/42/42/53/564424253.db2.gz DLASNAGPAJFLIA-UHFFFAOYSA-N 0 0 379.309 3.160 40 0 GGABRN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OCc1cc(=O)n2ccsc2n1 ZINC000039514094 564424301 /nfs/dbraw/zinc/42/43/01/564424301.db2.gz KXUWNALYSSGSOA-NSHDSACASA-N 0 0 378.837 3.229 40 0 GGABRN C[C@@H](CNC(=O)/C=C/c1cccc(Br)c1)N1C[C@H](C)O[C@@H](C)C1 ZINC000040081286 564424797 /nfs/dbraw/zinc/42/47/97/564424797.db2.gz SZAZNLLFHXIZJT-BSAHJYFCSA-N 0 0 381.314 3.076 40 0 GGABRN CC(=O)c1c(C)nc(C)nc1SCC(=O)NCCc1cccc(Cl)c1 ZINC000040050092 564424812 /nfs/dbraw/zinc/42/48/12/564424812.db2.gz MPYWBYLBAAYMPV-UHFFFAOYSA-N 0 0 377.897 3.400 40 0 GGABRN CCN(CC(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000039985576 564424838 /nfs/dbraw/zinc/42/48/38/564424838.db2.gz GBOFDQVHXAIPEC-UHFFFAOYSA-N 0 0 384.860 3.437 40 0 GGABRN Cc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)o1 ZINC000040068852 564425267 /nfs/dbraw/zinc/42/52/67/564425267.db2.gz DDFGNUPGZDEBHX-CYBMUJFWSA-N 0 0 391.265 3.362 40 0 GGABRN CCOC(=O)N[C@@H](CNC(=O)c1ccc(Br)s1)CC(C)C ZINC000040090521 564426075 /nfs/dbraw/zinc/42/60/75/564426075.db2.gz BGHKJFJTSMNCIQ-SNVBAGLBSA-N 0 0 377.304 3.401 40 0 GGABRN O=C(CS(=O)(=O)c1cccc(Br)c1)Nc1ccc(F)cc1F ZINC000040106499 564426229 /nfs/dbraw/zinc/42/62/29/564426229.db2.gz OHGSHRXDWCSNLS-UHFFFAOYSA-N 0 0 390.205 3.140 40 0 GGABRN CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1Cl ZINC000041105566 564429351 /nfs/dbraw/zinc/42/93/51/564429351.db2.gz PSIQKPVGQKJMTQ-INIZCTEOSA-N 0 0 385.844 3.452 40 0 GGABRN O=S(=O)(NC[C@H]1CCCO1)c1cc(Br)c2cccc3c2c1CC3 ZINC000041105697 564429499 /nfs/dbraw/zinc/42/94/99/564429499.db2.gz KLKXBBQCOOWIIH-GFCCVEGCSA-N 0 0 396.306 3.158 40 0 GGABRN Cc1cccc(-c2noc(CNS(=O)(=O)Cc3ccccc3Cl)n2)c1 ZINC000041152857 564429935 /nfs/dbraw/zinc/42/99/35/564429935.db2.gz QZDMISQNMAMNMY-UHFFFAOYSA-N 0 0 377.853 3.318 40 0 GGABRN Cc1ccccc1CS(=O)(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000041154058 564430127 /nfs/dbraw/zinc/43/01/27/564430127.db2.gz ZEBZCQPWRKKSCI-UHFFFAOYSA-N 0 0 377.853 3.318 40 0 GGABRN CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccc(Br)cc2)cc1 ZINC000042645801 564448464 /nfs/dbraw/zinc/44/84/64/564448464.db2.gz DCKSZFQXEUHTKE-UHFFFAOYSA-N 0 0 391.265 3.491 40 0 GGABRN COc1ccc(CNC(=O)C(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000042646179 564448475 /nfs/dbraw/zinc/44/84/75/564448475.db2.gz LWCZOIFYEXRGBC-UHFFFAOYSA-N 0 0 377.238 3.021 40 0 GGABRN O=C(NCc1ccccc1Cl)C(=O)Nc1ccc(Br)cc1F ZINC000042645838 564448485 /nfs/dbraw/zinc/44/84/85/564448485.db2.gz PNVLQMQWQIODRR-UHFFFAOYSA-N 0 0 385.620 3.497 40 0 GGABRN C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)c1ccc(Br)cc1 ZINC000043920100 564463048 /nfs/dbraw/zinc/46/30/48/564463048.db2.gz UGVGFGLAMRQICG-JTQLQIEISA-N 0 0 386.242 3.088 40 0 GGABRN COc1cccc([C@H](CNS(=O)(=O)c2ccc(F)cc2Cl)N(C)C)c1 ZINC000044301531 564466205 /nfs/dbraw/zinc/46/62/05/564466205.db2.gz SQPAWWJVOQEUKH-INIZCTEOSA-N 0 0 386.876 3.069 40 0 GGABRN Cc1ccccc1CNC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000044791484 564473386 /nfs/dbraw/zinc/47/33/86/564473386.db2.gz NNOPHDXUEUPIFL-UHFFFAOYSA-N 0 0 380.897 3.039 40 0 GGABRN CCOc1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 ZINC000044900339 564475494 /nfs/dbraw/zinc/47/54/94/564475494.db2.gz UNAKFZPGAYWHPX-UHFFFAOYSA-N 0 0 382.869 3.040 40 0 GGABRN C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000045139651 564478159 /nfs/dbraw/zinc/47/81/59/564478159.db2.gz KRLWOMDPAATAQA-CHWSQXEVSA-N 0 0 381.881 3.388 40 0 GGABRN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 ZINC000046017580 564493538 /nfs/dbraw/zinc/49/35/38/564493538.db2.gz XLTDSMAOKAOKLZ-UHFFFAOYSA-N 0 0 378.475 3.453 40 0 GGABRN O=S(=O)(NC[C@@H](c1ccco1)N1CCCC1)c1cccc(Br)c1 ZINC000047031929 564512060 /nfs/dbraw/zinc/51/20/60/564512060.db2.gz CJNYGBMKZDYGHA-HNNXBMFYSA-N 0 0 399.310 3.158 40 0 GGABRN CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000047080983 564512975 /nfs/dbraw/zinc/51/29/75/564512975.db2.gz HLTOZMZDVJFWRP-GFCCVEGCSA-N 0 0 393.336 3.310 40 0 GGABRN Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000047213415 564515213 /nfs/dbraw/zinc/51/52/13/564515213.db2.gz FDHPVMGUNWRRDU-MRXNPFEDSA-N 0 0 383.901 3.060 40 0 GGABRN CN(c1ccccc1C(=O)NCCSc1ccc(Cl)cc1)S(C)(=O)=O ZINC000047219369 564515381 /nfs/dbraw/zinc/51/53/81/564515381.db2.gz KJQPRUWYFDEISO-UHFFFAOYSA-N 0 0 398.937 3.258 40 0 GGABRN COC(=O)CCOc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1 ZINC000048340834 564536331 /nfs/dbraw/zinc/53/63/31/564536331.db2.gz RZRBZUZWENUATR-UHFFFAOYSA-N 0 0 381.475 3.151 40 0 GGABRN COC(=O)CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2F)cc1 ZINC000048331799 564536413 /nfs/dbraw/zinc/53/64/13/564536413.db2.gz ZWEVPCFIHHSVSA-UHFFFAOYSA-N 0 0 387.816 3.222 40 0 GGABRN COc1cccc([C@H](CNS(=O)(=O)c2ccc(C)cc2Cl)N(C)C)c1 ZINC000048312982 564536433 /nfs/dbraw/zinc/53/64/33/564536433.db2.gz DSLWZMYKMXULBM-KRWDZBQOSA-N 0 0 382.913 3.238 40 0 GGABRN O=S(=O)(NCCCOc1ccccc1)c1ccccc1OC(F)(F)F ZINC000048314210 564536694 /nfs/dbraw/zinc/53/66/94/564536694.db2.gz OGYGYLAWXTYZIK-UHFFFAOYSA-N 0 0 375.368 3.333 40 0 GGABRN Cc1cc(C)c(Nc2nnc(SCCC(=O)NC(N)=O)s2)c(Cl)c1 ZINC000054369612 564604437 /nfs/dbraw/zinc/60/44/37/564604437.db2.gz DMQCERGAGVKJKA-UHFFFAOYSA-N 0 0 385.902 3.229 40 0 GGABRN O=C(CCc1ccccc1F)NCC(=O)Nc1ccc(Br)cc1 ZINC000055548681 564623318 /nfs/dbraw/zinc/62/33/18/564623318.db2.gz WDEFMQDEMATANW-UHFFFAOYSA-N 0 0 379.229 3.276 40 0 GGABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CC3)c(Cl)c2)cc1 ZINC000055632533 564627168 /nfs/dbraw/zinc/62/71/68/564627168.db2.gz HIOIZIHDCWWULB-UHFFFAOYSA-N 0 0 380.853 3.042 40 0 GGABRN O=C(CCNC(=O)c1ccccc1)NCCc1ccc(F)c(Br)c1 ZINC000055865311 564633544 /nfs/dbraw/zinc/63/35/44/564633544.db2.gz ZKIKPGYQILBNIB-UHFFFAOYSA-N 0 0 393.256 3.067 40 0 GGABRN CCOc1cccc(CNS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)c1 ZINC000056071259 564639614 /nfs/dbraw/zinc/63/96/14/564639614.db2.gz NENMBISVWFMCOD-UHFFFAOYSA-N 0 0 383.853 3.004 40 0 GGABRN CCSCc1ccc(C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1 ZINC000056157753 564643804 /nfs/dbraw/zinc/64/38/04/564643804.db2.gz CAAMZPWSRWRSQC-UHFFFAOYSA-N 0 0 378.519 3.456 40 0 GGABRN C[C@@H](Cc1ccsc1)NC(=O)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000056746039 564652690 /nfs/dbraw/zinc/65/26/90/564652690.db2.gz UMNFJGZAZLNQQQ-ZDUSSCGKSA-N 0 0 377.535 3.345 40 0 GGABRN O=C(CSCc1ccc(Cl)cc1Cl)NCCCN1CCOCC1 ZINC000056967181 564655444 /nfs/dbraw/zinc/65/54/44/564655444.db2.gz BLPUIHGTMRPATF-UHFFFAOYSA-N 0 0 377.337 3.065 40 0 GGABRN CCCCn1nnc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)n1 ZINC000057316478 564665341 /nfs/dbraw/zinc/66/53/41/564665341.db2.gz PJAZYAAYGQGKEA-FNORWQNLSA-N 0 0 399.307 3.306 40 0 GGABRN C[C@H](NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1cccc(Br)c1 ZINC000058165907 564680530 /nfs/dbraw/zinc/68/05/30/564680530.db2.gz PQMKMQABKAULLB-SWLSCSKDSA-N 0 0 379.298 3.275 40 0 GGABRN C[C@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1cccc(Br)c1 ZINC000058165909 564680574 /nfs/dbraw/zinc/68/05/74/564680574.db2.gz PQMKMQABKAULLB-WFASDCNBSA-N 0 0 379.298 3.275 40 0 GGABRN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)Cc1cccs1 ZINC000058245553 564681426 /nfs/dbraw/zinc/68/14/26/564681426.db2.gz UKGZCWONGPGVNM-UHFFFAOYSA-N 0 0 379.381 3.231 40 0 GGABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccnc2Cl)c(F)c1F ZINC000059294483 564692279 /nfs/dbraw/zinc/69/22/79/564692279.db2.gz KYLZOSCBSQHUBT-UHFFFAOYSA-N 0 0 393.749 3.427 40 0 GGABRN CCOc1c(Br)cc(CN[C@H](C)c2nnc3n2CCC3)cc1OC ZINC000059260087 564692459 /nfs/dbraw/zinc/69/24/59/564692459.db2.gz NLYGGRMDVYGATR-LLVKDONJSA-N 0 0 395.301 3.245 40 0 GGABRN CC(C)CCO[C@@H](C)C(=O)Nc1cc(Br)ccc1-n1cncn1 ZINC000060271732 564696573 /nfs/dbraw/zinc/69/65/73/564696573.db2.gz NDWVKNKYQXFDNH-LBPRGKRZSA-N 0 0 381.274 3.420 40 0 GGABRN O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCC[C@@H](C2OCCO2)C1 ZINC000060363657 564697340 /nfs/dbraw/zinc/69/73/40/564697340.db2.gz NXGVDEGMROPTHP-SNVBAGLBSA-N 0 0 399.818 3.132 40 0 GGABRN Cc1nc(Cl)cc(N(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)n1 ZINC000060372301 564697739 /nfs/dbraw/zinc/69/77/39/564697739.db2.gz HKPATEPBKGAOFX-LBPRGKRZSA-N 0 0 375.778 3.333 40 0 GGABRN Cc1ccc(COc2ccc(Br)cc2/C=C/C(=O)NCCO)cc1 ZINC000062715889 564713283 /nfs/dbraw/zinc/71/32/83/564713283.db2.gz SOZFBBJCQYQRRI-RMKNXTFCSA-N 0 0 390.277 3.458 40 0 GGABRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1Cl ZINC000064946776 564737193 /nfs/dbraw/zinc/73/71/93/564737193.db2.gz QEFBCMMDUMPPFF-UHFFFAOYSA-N 0 0 384.866 3.063 40 0 GGABRN O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(Br)o1 ZINC000070636410 564849327 /nfs/dbraw/zinc/84/93/27/564849327.db2.gz ZFUHMQCNKSPNTO-ZDUSSCGKSA-N 0 0 378.144 3.222 40 0 GGABRN COc1ccc(-c2csc(CNS(=O)(=O)c3ccc(F)cc3)n2)cc1 ZINC000072264916 564861773 /nfs/dbraw/zinc/86/17/73/564861773.db2.gz XMVDNQRKDAJWNT-UHFFFAOYSA-N 0 0 378.450 3.436 40 0 GGABRN COc1ccc(CN2C(=O)[C@H](N)[C@@H]2c2ccc(Cl)cc2Cl)cc1OC ZINC000072227107 564862050 /nfs/dbraw/zinc/86/20/50/564862050.db2.gz QGAUYIOHFBRJHW-SJORKVTESA-N 0 0 381.259 3.421 40 0 GGABRN O=S(=O)(c1cccc(Cl)c1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 ZINC000077198106 564862596 /nfs/dbraw/zinc/86/25/96/564862596.db2.gz XLKMBIWTQIEUSR-UHFFFAOYSA-N 0 0 395.790 3.310 40 0 GGABRN Cc1cc(C(F)(F)F)nc(CCNC(=O)c2ccc(Br)o2)n1 ZINC000077101091 564862915 /nfs/dbraw/zinc/86/29/15/564862915.db2.gz YYOCTOLRTNGUDB-UHFFFAOYSA-N 0 0 378.148 3.132 40 0 GGABRN FC(F)(F)c1nnc2sc(-c3cccc(I)c3)nn21 ZINC000073634356 564863173 /nfs/dbraw/zinc/86/31/73/564863173.db2.gz NYIQGZRAOLYPNE-UHFFFAOYSA-N 0 0 396.135 3.476 40 0 GGABRN O=S(=O)(c1ccc(Sc2nnc3n2CCCCC3)cc1)C(F)(F)F ZINC000089793779 564870010 /nfs/dbraw/zinc/87/00/10/564870010.db2.gz WNZCGOOYAVNFRW-UHFFFAOYSA-N 0 0 377.413 3.449 40 0 GGABRN Cc1ccc([C@H](N)c2nnc(-c3ccc(I)cc3)[nH]2)cc1 ZINC000095534132 564899708 /nfs/dbraw/zinc/89/97/08/564899708.db2.gz UVGXJGHTQLCDAD-AWEZNQCLSA-N 0 0 390.228 3.433 40 0 GGABRN Cc1ccc([C@@H](N)c2nnc(-c3ccc(I)cc3)[nH]2)cc1 ZINC000095534133 564899909 /nfs/dbraw/zinc/89/99/09/564899909.db2.gz UVGXJGHTQLCDAD-CQSZACIVSA-N 0 0 390.228 3.433 40 0 GGABRN COC(=O)[C@H](c1ccc(Br)cc1[N+](=O)[O-])P(=O)(OC)OC ZINC000095725476 564900030 /nfs/dbraw/zinc/90/00/30/564900030.db2.gz XIRAHLCXPAIGEO-JTQLQIEISA-N 0 0 382.103 3.057 40 0 GGABRN Cc1ccnc2c1cc(I)n2S(=O)(=O)c1ccccc1 ZINC000095919964 564900091 /nfs/dbraw/zinc/90/00/91/564900091.db2.gz RMKTZEGYISMNLK-UHFFFAOYSA-N 0 0 398.225 3.186 40 0 GGABRN Cc1cnc2c(cc(I)n2S(=O)(=O)c2ccccc2)c1 ZINC000095919976 564900422 /nfs/dbraw/zinc/90/04/22/564900422.db2.gz YMBBDDLKXGDYIB-UHFFFAOYSA-N 0 0 398.225 3.186 40 0 GGABRN N[C@@H](c1nnc(-c2ccc(I)cc2)[nH]1)c1ccccc1 ZINC000095533437 564900465 /nfs/dbraw/zinc/90/04/65/564900465.db2.gz XLTLGNHFETWVEO-CYBMUJFWSA-N 0 0 376.201 3.124 40 0 GGABRN CC(C)(C)S(=O)(=O)[C@H]1CCN(C(=O)CCc2ccc(F)c(Cl)c2)C1 ZINC000096120096 564901218 /nfs/dbraw/zinc/90/12/18/564901218.db2.gz RXSRMKGJLUSHPZ-ZDUSSCGKSA-N 0 0 375.893 3.226 40 0 GGABRN O=C(COc1ccc(Cl)cc1Cl)NCCn1ccc(C(F)(F)F)n1 ZINC000096098998 564901377 /nfs/dbraw/zinc/90/13/77/564901377.db2.gz OTEIGBHEXVBSGN-UHFFFAOYSA-N 0 0 382.169 3.404 40 0 GGABRN CCS(=O)(=O)[C@](C)(Br)[C@@H](O)c1ccc(Br)cc1 ZINC000096521338 564902203 /nfs/dbraw/zinc/90/22/03/564902203.db2.gz CVSYNDVACHBJIF-QWRGUYRKSA-N 0 0 386.105 3.028 40 0 GGABRN CCN(C(=O)c1cn(-c2ccc(F)cc2)nn1)c1ccc(Br)cn1 ZINC000102254618 564927538 /nfs/dbraw/zinc/92/75/38/564927538.db2.gz ITALDIVSIWOQCQ-UHFFFAOYSA-N 0 0 390.216 3.231 40 0 GGABRN C[C@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(Cl)c(Cl)c1 ZINC000103061603 564942135 /nfs/dbraw/zinc/94/21/35/564942135.db2.gz KFNAOBCOBNXTCA-DRZSPHRISA-N 0 0 383.275 3.346 40 0 GGABRN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CCOc1ccc(Cl)cc1Br ZINC000103437964 564947942 /nfs/dbraw/zinc/94/79/42/564947942.db2.gz MCGFOHCBNITMDS-TXEJJXNPSA-N 0 0 384.657 3.433 40 0 GGABRN Cc1cc2c(c(Br)c1N)=N[C@@H](c1ccc(Br)cc1)N=2 ZINC000103533648 564950623 /nfs/dbraw/zinc/95/06/23/564950623.db2.gz TZUZGVBKYPFGDC-AWEZNQCLSA-N 0 0 381.071 3.054 40 0 GGABRN O=C(Nc1ccc2c(c1)C(=O)NC2)c1ccn(-c2cccc(Br)c2)n1 ZINC000106638091 564986036 /nfs/dbraw/zinc/98/60/36/564986036.db2.gz DJSWPPZCFWMKBL-UHFFFAOYSA-N 0 0 397.232 3.131 40 0 GGABRN O=Cc1ccc(N2C(=O)C(=O)c3cc(Br)ccc32)c([N+](=O)[O-])c1 ZINC000107688615 565001739 /nfs/dbraw/zinc/00/17/39/565001739.db2.gz CIEZOJJQNXTTRE-UHFFFAOYSA-N 0 0 375.134 3.031 40 0 GGABRN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccccc2Br)c1 ZINC000109068006 565020687 /nfs/dbraw/zinc/02/06/87/565020687.db2.gz KVCXXFVHAXOAIF-UHFFFAOYSA-N 0 0 388.214 3.176 40 0 GGABRN CCOC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000113877736 565071272 /nfs/dbraw/zinc/07/12/72/565071272.db2.gz SBYKIVFAMBQRNR-UHFFFAOYSA-N 0 0 398.278 3.208 40 0 GGABRN CCOC(=O)CN(c1ccccc1Br)S(=O)(=O)c1ccccc1 ZINC000113875449 565071342 /nfs/dbraw/zinc/07/13/42/565071342.db2.gz DRSRZJMYBHIBAJ-UHFFFAOYSA-N 0 0 398.278 3.208 40 0 GGABRN CCN(c1ccc(C(=O)NCc2ccccc2Cl)cc1)S(=O)(=O)CC ZINC000113972112 565071666 /nfs/dbraw/zinc/07/16/66/565071666.db2.gz ACCQAHQZBRNKCM-UHFFFAOYSA-N 0 0 380.897 3.446 40 0 GGABRN CSc1ccccc1NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O ZINC000113958260 565071835 /nfs/dbraw/zinc/07/18/35/565071835.db2.gz VCOYPNSNGSMBSN-GFCCVEGCSA-N 0 0 382.482 3.341 40 0 GGABRN O=C(NCc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccc(F)c(Cl)c1 ZINC000372249969 565228307 /nfs/dbraw/zinc/22/83/07/565228307.db2.gz BSLLRNAHGOGQDL-SECBINFHSA-N 0 0 376.741 3.125 40 0 GGABRN O=C(NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccc(F)c(Cl)c1 ZINC000372249974 565228835 /nfs/dbraw/zinc/22/88/35/565228835.db2.gz BSLLRNAHGOGQDL-VIFPVBQESA-N 0 0 376.741 3.125 40 0 GGABRN CN(CC(=O)Nc1ccc2sncc2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000188240310 565389393 /nfs/dbraw/zinc/38/93/93/565389393.db2.gz GBXAMDPPOYPQKY-UHFFFAOYSA-N 0 0 395.893 3.209 40 0 GGABRN O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cncc(Br)c1 ZINC000171394650 565429122 /nfs/dbraw/zinc/42/91/22/565429122.db2.gz KIWBSIHWSIUTKK-CQSZACIVSA-N 0 0 389.171 3.024 40 0 GGABRN Cc1cccc(CS(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000172023041 565463087 /nfs/dbraw/zinc/46/30/87/565463087.db2.gz PDPAMJXLGASKHD-UHFFFAOYSA-N 0 0 377.853 3.318 40 0 GGABRN CN(C(=O)c1ccn(-c2ccc(F)cc2)n1)c1ccc(Br)nc1 ZINC000173109895 565527667 /nfs/dbraw/zinc/52/76/67/565527667.db2.gz JELHYGNGINKKOR-UHFFFAOYSA-N 0 0 375.201 3.446 40 0 GGABRN CSc1cccc(C(=O)N2CC[C@H](c3cccs3)S(=O)(=O)CC2)c1 ZINC000390831477 565559322 /nfs/dbraw/zinc/55/93/22/565559322.db2.gz SBUXHAHJHWIGPV-MRXNPFEDSA-N 0 0 381.544 3.472 40 0 GGABRN CS(=O)(=O)N(CC(=O)N1CCCCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000408621543 565615049 /nfs/dbraw/zinc/61/50/49/565615049.db2.gz NIUNTZUXNLMYRZ-UHFFFAOYSA-N 0 0 393.336 3.158 40 0 GGABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccccn1 ZINC000408625174 565615095 /nfs/dbraw/zinc/61/50/95/565615095.db2.gz WTGJGAGFTPOKSW-UHFFFAOYSA-N 0 0 380.267 3.288 40 0 GGABRN CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)ccc1C ZINC000408621769 565615142 /nfs/dbraw/zinc/61/51/42/565615142.db2.gz OBDGTWOBRKLRHE-UHFFFAOYSA-N 0 0 382.869 3.208 40 0 GGABRN C[C@@H](Sc1nnc(-c2cccs2)n1N)C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000195528988 565888570 /nfs/dbraw/zinc/88/85/70/565888570.db2.gz KCOBFPZXRLROPW-XQHKEYJVSA-N 0 0 379.555 3.142 40 0 GGABRN C[C@@H](Sc1nnc(-c2cccs2)n1N)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000195528985 565889352 /nfs/dbraw/zinc/88/93/52/565889352.db2.gz KCOBFPZXRLROPW-YVECIDJPSA-N 0 0 379.555 3.142 40 0 GGABRN CCNC(=O)c1ccc(Nc2ccc(I)cc2)c(N)c1 ZINC000213310009 565895528 /nfs/dbraw/zinc/89/55/28/565895528.db2.gz LLFUBGLMEGVEIQ-UHFFFAOYSA-N 0 0 381.217 3.367 40 0 GGABRN Cc1nccn1-c1ccccc1CNS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000216459119 565896181 /nfs/dbraw/zinc/89/61/81/565896181.db2.gz GGLQYPVCXDHSSM-UHFFFAOYSA-N 0 0 375.881 3.454 40 0 GGABRN O=C(c1ccc(Cl)cc1)N1c2ccccc2S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000217373180 565897084 /nfs/dbraw/zinc/89/70/84/565897084.db2.gz AOAAPPWODXTJNS-GOEBONIOSA-N 0 0 379.890 3.258 40 0 GGABRN COC[C@]1(C(N)=S)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218064562 565898336 /nfs/dbraw/zinc/89/83/36/565898336.db2.gz YIPVXAFXABAGLH-RYRKJORJSA-N 0 0 395.933 3.199 40 0 GGABRN COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@H]2C(N)=S)cc1 ZINC000218126926 565898504 /nfs/dbraw/zinc/89/85/04/565898504.db2.gz KKUPSYPUKNBBPO-HRCADAONSA-N 0 0 381.906 3.191 40 0 GGABRN CCOC[C@]1(N)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218557265 565899536 /nfs/dbraw/zinc/89/95/36/565899536.db2.gz GGYIXJADWVAUAQ-FHWLQOOXSA-N 0 0 379.909 3.322 40 0 GGABRN COc1ccc(OC[C@H](C)NC(=O)COc2ccc(Br)cc2)cc1 ZINC000218816266 565900826 /nfs/dbraw/zinc/90/08/26/565900826.db2.gz MUPGTJUSSHFMDS-ZDUSSCGKSA-N 0 0 394.265 3.420 40 0 GGABRN CCOC[C@@]1(N)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218658955 565901093 /nfs/dbraw/zinc/90/10/93/565901093.db2.gz FGIDHNHMDHHYER-OKZBNKHCSA-N 0 0 383.872 3.153 40 0 GGABRN O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1cc(Cl)cc(Cl)c1 ZINC000219660573 565902249 /nfs/dbraw/zinc/90/22/49/565902249.db2.gz USMRJYRMQZHPAB-UHFFFAOYSA-N 0 0 399.255 3.167 40 0 GGABRN Cc1cccc(N([C@H](C)C(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000220122848 565903071 /nfs/dbraw/zinc/90/30/71/565903071.db2.gz MAXFJQVSBPILSC-CQSZACIVSA-N 0 0 380.897 3.119 40 0 GGABRN COc1cccc(N([C@H](C)C(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)c1 ZINC000220156579 565903082 /nfs/dbraw/zinc/90/30/82/565903082.db2.gz QAQBGWKMGGJFTF-GFCCVEGCSA-N 0 0 382.869 3.142 40 0 GGABRN CSc1cccc(NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1 ZINC000220473149 565903179 /nfs/dbraw/zinc/90/31/79/565903179.db2.gz RKDDWEAKTDTAJM-LBPRGKRZSA-N 0 0 382.482 3.341 40 0 GGABRN C[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000220442763 565903218 /nfs/dbraw/zinc/90/32/18/565903218.db2.gz OJJNCEDODFXQOP-JTQLQIEISA-N 0 0 388.823 3.411 40 0 GGABRN CSc1cccc(N(CC(=O)Nc2cccc(C)c2C)S(C)(=O)=O)c1 ZINC000220061739 565903320 /nfs/dbraw/zinc/90/33/20/565903320.db2.gz LQQFCPXBSMQISX-UHFFFAOYSA-N 0 0 378.519 3.430 40 0 GGABRN CSc1cccc(N(CC(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)c1 ZINC000220059050 565903328 /nfs/dbraw/zinc/90/33/28/565903328.db2.gz RBIZNOADPUSRPU-UHFFFAOYSA-N 0 0 378.519 3.430 40 0 GGABRN C[C@@H](C(=O)Nc1ccccc1Cl)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000220442588 565903488 /nfs/dbraw/zinc/90/34/88/565903488.db2.gz SOBYEMCSRFVVPR-JTQLQIEISA-N 0 0 388.823 3.411 40 0 GGABRN CSc1cccc(N(CC(=O)NCCC2=CCCCC2)S(C)(=O)=O)c1 ZINC000220065068 565903809 /nfs/dbraw/zinc/90/38/09/565903809.db2.gz XBLLFMGNGXINBI-UHFFFAOYSA-N 0 0 382.551 3.181 40 0 GGABRN CSc1cccc(N(CC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)c1 ZINC000220059680 565903815 /nfs/dbraw/zinc/90/38/15/565903815.db2.gz XPDLQELTIRCWBU-UHFFFAOYSA-N 0 0 384.910 3.467 40 0 GGABRN CCOc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 ZINC000222508786 565904268 /nfs/dbraw/zinc/90/42/68/565904268.db2.gz BQOPQISLTVUDFJ-UHFFFAOYSA-N 0 0 382.869 3.387 40 0 GGABRN Cc1ccc(C(=O)NCCSC2CCCCC2)cc1N(C)S(C)(=O)=O ZINC000222452532 565904294 /nfs/dbraw/zinc/90/42/94/565904294.db2.gz NKDYFXRUCWHNLH-UHFFFAOYSA-N 0 0 384.567 3.187 40 0 GGABRN COc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1Cl ZINC000222472366 565904722 /nfs/dbraw/zinc/90/47/22/565904722.db2.gz KVLWIXCOENXMGI-UHFFFAOYSA-N 0 0 382.869 3.305 40 0 GGABRN CN(c1ccc(C(=O)NCc2ccc(Cl)cc2)c(Cl)c1)S(C)(=O)=O ZINC000222511107 565905203 /nfs/dbraw/zinc/90/52/03/565905203.db2.gz AHXBFNVQCOICKU-UHFFFAOYSA-N 0 0 387.288 3.319 40 0 GGABRN CN(c1cccc(C(=O)Nc2ccccc2Br)c1)S(C)(=O)=O ZINC000222406864 565905215 /nfs/dbraw/zinc/90/52/15/565905215.db2.gz CYDVAQIMVMGTNK-UHFFFAOYSA-N 0 0 383.267 3.097 40 0 GGABRN Cc1c(C(=O)Nc2cccc(Br)c2)cccc1N(C)S(C)(=O)=O ZINC000222426528 565905221 /nfs/dbraw/zinc/90/52/21/565905221.db2.gz PWNRKDQDWPTCBQ-UHFFFAOYSA-N 0 0 397.294 3.406 40 0 GGABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000222741715 565906083 /nfs/dbraw/zinc/90/60/83/565906083.db2.gz FKDDILHLIWYWMA-NSHDSACASA-N 0 0 383.853 3.159 40 0 GGABRN COC(=O)c1cn(S(=O)(=O)c2ccc(Br)cc2)c2ccccc12 ZINC000222595556 565906207 /nfs/dbraw/zinc/90/62/07/565906207.db2.gz YPSTUNQFMPFXOL-UHFFFAOYSA-N 0 0 394.246 3.427 40 0 GGABRN CCSc1ccccc1NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000222962005 565907406 /nfs/dbraw/zinc/90/74/06/565907406.db2.gz HTTASSKLTWFWAS-KRWDZBQOSA-N 0 0 378.519 3.370 40 0 GGABRN CSc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1NC(C)=O ZINC000222976945 565907453 /nfs/dbraw/zinc/90/74/53/565907453.db2.gz PFPPAHAIYQGPNY-UHFFFAOYSA-N 0 0 384.910 3.499 40 0 GGABRN CCOc1ccc(S(=O)(=O)NCc2c(OC)cccc2OC)cc1Cl ZINC000223008610 565907758 /nfs/dbraw/zinc/90/77/58/565907758.db2.gz RKTBPCRRUBZUQS-UHFFFAOYSA-N 0 0 385.869 3.234 40 0 GGABRN Cc1cc2c(cc1S(=O)(=O)Nc1ccccc1Br)oc(=O)n2C ZINC000223334591 565908303 /nfs/dbraw/zinc/90/83/03/565908303.db2.gz PWQFNCWJIZAVLR-UHFFFAOYSA-N 0 0 397.250 3.003 40 0 GGABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1sccc1C ZINC000223710682 565908438 /nfs/dbraw/zinc/90/84/38/565908438.db2.gz KZMKNKLLUMELNS-CVEARBPZSA-N 0 0 375.519 3.377 40 0 GGABRN CSc1ccccc1NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O ZINC000223335105 565908476 /nfs/dbraw/zinc/90/84/76/565908476.db2.gz BBMZGWJARAMXFS-UHFFFAOYSA-N 0 0 378.519 3.117 40 0 GGABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 ZINC000223639203 565908521 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GGABRN Cc1cc(C)c(N(CC(=O)NCc2ccccc2Cl)S(C)(=O)=O)c(C)c1 ZINC000022391665 570315988 /nfs/dbraw/zinc/31/59/88/570315988.db2.gz LDJNWBGJNCJICW-UHFFFAOYSA-N 0 0 394.924 3.348 40 0 GGABRN CC(C)c1ccccc1N(CC(=O)NCCCc1ccccc1)S(C)(=O)=O ZINC000022394357 570316034 /nfs/dbraw/zinc/31/60/34/570316034.db2.gz SHUGHYVIVHVQDG-UHFFFAOYSA-N 0 0 388.533 3.325 40 0 GGABRN CC(C)Oc1ccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)cc1 ZINC000022393603 570316067 /nfs/dbraw/zinc/31/60/67/570316067.db2.gz ZGSZIZFWMFWPFU-UHFFFAOYSA-N 0 0 398.431 3.157 40 0 GGABRN Cc1cc(C)c(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)c(C)c1 ZINC000022397763 570316070 /nfs/dbraw/zinc/31/60/70/570316070.db2.gz ZJUUBAPIVBWJCZ-INIZCTEOSA-N 0 0 392.496 3.394 40 0 GGABRN O=S(=O)(c1cc(F)cc(F)c1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000022405850 570316337 /nfs/dbraw/zinc/31/63/37/570316337.db2.gz UAQSDXQHHMJOJJ-UHFFFAOYSA-N 0 0 375.400 3.319 40 0 GGABRN Cc1cc(C)cc(OCC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)c1 ZINC000016112130 570316465 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C[C@H]1Cc2ccccc2N1C(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000022517993 570319685 /nfs/dbraw/zinc/31/96/85/570319685.db2.gz YXELWBMCVDGHGL-INIZCTEOSA-N 0 0 384.501 3.204 40 0 GGABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000022522192 570319870 /nfs/dbraw/zinc/31/98/70/570319870.db2.gz GJGHQWJJGNGHFW-CYBMUJFWSA-N 0 0 398.887 3.431 40 0 GGABRN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)c1 ZINC000109355935 570320246 /nfs/dbraw/zinc/32/02/46/570320246.db2.gz ZGBSLAXAJKMMSV-QGZVFWFLSA-N 0 0 378.538 3.153 40 0 GGABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl ZINC000022530539 570320690 /nfs/dbraw/zinc/32/06/90/570320690.db2.gz HPAMMOQZLMJQFK-UHFFFAOYSA-N 0 0 396.852 3.276 40 0 GGABRN Cc1cccc(O[C@H](C)C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c1C ZINC000022530292 570320767 /nfs/dbraw/zinc/32/07/67/570320767.db2.gz YVPYHSIAWXNVIY-OAHLLOKOSA-N 0 0 376.478 3.105 40 0 GGABRN CCN(CC(=O)N[C@H](C)c1cc(C)c(C)cc1C)S(=O)(=O)c1ccccc1 ZINC000022536285 570321461 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CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000023400813 570322920 /nfs/dbraw/zinc/32/29/20/570322920.db2.gz MIMLYAGVORLLBP-UHFFFAOYSA-N 0 0 389.351 3.135 40 0 GGABRN O=S(=O)(Oc1ccc(OS(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000001599373 570323446 /nfs/dbraw/zinc/32/34/46/570323446.db2.gz YABVILCILGOKJI-UHFFFAOYSA-N 0 0 390.438 3.222 40 0 GGABRN Cc1ccc(C(=O)N[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)C(C)C)cc1 ZINC000023466408 570324466 /nfs/dbraw/zinc/32/44/66/570324466.db2.gz UALHWMJLBFVRRW-QFIPXVFZSA-N 0 0 393.531 3.094 40 0 GGABRN CCOC(=O)c1c(NC(=O)COC(=O)[C@@H]2C[C@@H]2C)sc2c1CC[C@H](C)C2 ZINC000020790146 570324516 /nfs/dbraw/zinc/32/45/16/570324516.db2.gz IGAPZZAOHIGYGY-GMXVVIOVSA-N 0 0 379.478 3.187 40 0 GGABRN COc1ccc(CCNC(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1OC ZINC000053518402 570324833 /nfs/dbraw/zinc/32/48/33/570324833.db2.gz IGRAKMUKTBRGPD-UHFFFAOYSA-N 0 0 382.460 3.451 40 0 GGABRN Cc1cc(C)cc(NC(=O)C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000047080993 570325632 /nfs/dbraw/zinc/32/56/32/570325632.db2.gz RQVPISMZLLFIRJ-UHFFFAOYSA-N 0 0 394.258 3.304 40 0 GGABRN Cc1ccc(NC(=O)C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1C ZINC000047081006 570325711 /nfs/dbraw/zinc/32/57/11/570325711.db2.gz QXJCQSLPBIOPOP-UHFFFAOYSA-N 0 0 394.258 3.304 40 0 GGABRN Cc1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1NS(C)(=O)=O ZINC000111120942 570326089 /nfs/dbraw/zinc/32/60/89/570326089.db2.gz KBAFMPLUUGHLMJ-UHFFFAOYSA-N 0 0 390.505 3.299 40 0 GGABRN O=C(Nc1c(F)cccc1F)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000047219422 570326199 /nfs/dbraw/zinc/32/61/99/570326199.db2.gz SIMKDHPTPLMOMO-ZDUSSCGKSA-N 0 0 380.416 3.004 40 0 GGABRN CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(OCc2c(C)noc2C)cc1 ZINC000023569603 570326491 /nfs/dbraw/zinc/32/64/91/570326491.db2.gz RBSSAVZTPNGRSL-UHFFFAOYSA-N 0 0 387.480 3.247 40 0 GGABRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000048089168 570326501 /nfs/dbraw/zinc/32/65/01/570326501.db2.gz YORHCSMLRCTYAG-LSDHHAIUSA-N 0 0 394.924 3.144 40 0 GGABRN C[C@H](CCc1ccccc1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000048089171 570326626 /nfs/dbraw/zinc/32/66/26/570326626.db2.gz YORHCSMLRCTYAG-CABCVRRESA-N 0 0 394.924 3.144 40 0 GGABRN Cc1ccc(C)c([C@@H](C)NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)c1 ZINC000053637638 570327118 /nfs/dbraw/zinc/32/71/18/570327118.db2.gz IPAOXIAECDGZHM-MRXNPFEDSA-N 0 0 399.516 3.075 40 0 GGABRN CCN(CC)C(=O)c1cccc(NC(=O)CCCn2c3ccccc3oc2=O)c1 ZINC000023657619 570329597 /nfs/dbraw/zinc/32/95/97/570329597.db2.gz KKBHBTAZQVZYKG-UHFFFAOYSA-N 0 0 395.459 3.495 40 0 GGABRN CCOc1ccccc1NC(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000022273216 570329863 /nfs/dbraw/zinc/32/98/63/570329863.db2.gz ZZLZPSMLHLBVHG-UHFFFAOYSA-N 0 0 376.478 3.052 40 0 GGABRN O=C(NCc1ccnc(N2CCCC2=O)c1)c1cccc(OC(F)(F)F)c1 ZINC000575606896 570330199 /nfs/dbraw/zinc/33/01/99/570330199.db2.gz GTTQFPXWRVLWBX-UHFFFAOYSA-N 0 0 379.338 3.037 40 0 GGABRN COc1cccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022276458 570330338 /nfs/dbraw/zinc/33/03/38/570330338.db2.gz AFQCATNPGZGMMP-UHFFFAOYSA-N 0 0 390.505 3.114 40 0 GGABRN Cc1cccc(N2CCN(C(=O)c3ccc(CN4CCCC4=O)cc3)CC2)c1C ZINC000022880466 570332961 /nfs/dbraw/zinc/33/29/61/570332961.db2.gz VNBNPUSLTFPCIB-UHFFFAOYSA-N 0 0 391.515 3.388 40 0 GGABRN COc1ccc(OC)c(/C=C/C(=O)N[C@H](c2nccn2C)c2ccccc2)c1 ZINC000023773792 570332977 /nfs/dbraw/zinc/33/29/77/570332977.db2.gz PBIXZJPTKPEWLS-ZRFOIIEFSA-N 0 0 377.444 3.356 40 0 GGABRN O=C(NCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000000791971 570334124 /nfs/dbraw/zinc/33/41/24/570334124.db2.gz DQAWXEIYCACULI-MRXNPFEDSA-N 0 0 392.908 3.057 40 0 GGABRN Cc1cc(OCc2nnc(SCC(N)=O)n2-c2ccccc2)ccc1Cl ZINC000000793875 570334437 /nfs/dbraw/zinc/33/44/37/570334437.db2.gz JBKOGJAFORYXET-UHFFFAOYSA-N 0 0 388.880 3.386 40 0 GGABRN Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000113940555 570334823 /nfs/dbraw/zinc/33/48/23/570334823.db2.gz UCIUYZXEMHWPDB-HZPDHXFCSA-N 0 0 392.496 3.474 40 0 GGABRN O=C(NCCCc1ccco1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000113936291 570334881 /nfs/dbraw/zinc/33/48/81/570334881.db2.gz XROFKZSXXQAZID-UHFFFAOYSA-N 0 0 384.457 3.443 40 0 GGABRN Cc1ccc(N(CCCC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cc1C ZINC000113939694 570334967 /nfs/dbraw/zinc/33/49/67/570334967.db2.gz HAWVXCUPCWQQLP-UHFFFAOYSA-N 0 0 392.496 3.305 40 0 GGABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c(C)c1 ZINC000113946843 570335311 /nfs/dbraw/zinc/33/53/11/570335311.db2.gz XPGLFRMTHICQAY-MRXNPFEDSA-N 0 0 389.521 3.037 40 0 GGABRN C[C@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1ccccc1F)S(C)(=O)=O ZINC000113957164 570336006 /nfs/dbraw/zinc/33/60/06/570336006.db2.gz ZYRDHTZCQLTDSR-KDOFPFPSSA-N 0 0 390.480 3.174 40 0 GGABRN CCOc1ccc(NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000113957048 570336080 /nfs/dbraw/zinc/33/60/80/570336080.db2.gz ZRAAVIARLUECLB-CYBMUJFWSA-N 0 0 380.441 3.018 40 0 GGABRN CCc1ccccc1NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113957573 570336442 /nfs/dbraw/zinc/33/64/42/570336442.db2.gz JHANSXJYZZQINE-LBPRGKRZSA-N 0 0 382.432 3.320 40 0 GGABRN COc1ccc(N(CCCC(=O)Nc2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000113961940 570336782 /nfs/dbraw/zinc/33/67/82/570336782.db2.gz GDGSLOLRBSLMNE-UHFFFAOYSA-N 0 0 390.505 3.497 40 0 GGABRN Cc1cccc(N(CCCC(=O)NCc2ccccc2C)S(C)(=O)=O)c1C ZINC000113961408 570336806 /nfs/dbraw/zinc/33/68/06/570336806.db2.gz OOBCMZGVPZMLBK-UHFFFAOYSA-N 0 0 388.533 3.474 40 0 GGABRN CCc1ccc(N(CCCC(=O)NCc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000113962802 570336936 /nfs/dbraw/zinc/33/69/36/570336936.db2.gz QERVIHDZYBWJJM-UHFFFAOYSA-N 0 0 388.533 3.420 40 0 GGABRN CCc1ccc(N(CCCC(=O)Nc2cccc(OC)c2)S(C)(=O)=O)cc1 ZINC000113962224 570336959 /nfs/dbraw/zinc/33/69/59/570336959.db2.gz OUZVIUCABMFXIK-UHFFFAOYSA-N 0 0 390.505 3.443 40 0 GGABRN COc1ccccc1NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113966075 570337334 /nfs/dbraw/zinc/33/73/34/570337334.db2.gz KLNXYKWBWJZHJQ-UHFFFAOYSA-N 0 0 398.431 3.158 40 0 GGABRN 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COc1cc(OC)c(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1Cl ZINC000013006935 570415465 /nfs/dbraw/zinc/41/54/65/570415465.db2.gz SNFWCXAMBKRRLA-CQSZACIVSA-N 0 0 388.851 3.344 40 0 GGABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)cc1C ZINC000222582702 570415518 /nfs/dbraw/zinc/41/55/18/570415518.db2.gz YJWCTAVBSWJZRS-MRXNPFEDSA-N 0 0 388.895 3.499 40 0 GGABRN COc1cccc(N(CCCC(=O)NC2CCCCCCC2)S(C)(=O)=O)c1 ZINC000222593583 570415771 /nfs/dbraw/zinc/41/57/71/570415771.db2.gz WYEKKAOLOVUHDR-UHFFFAOYSA-N 0 0 396.553 3.471 40 0 GGABRN CCCCNC(=O)c1ccccc1C(=O)NC1(C(=O)NCCCC)CCCC1 ZINC000004896129 570415987 /nfs/dbraw/zinc/41/59/87/570415987.db2.gz CZMVRLJXPGJEPT-UHFFFAOYSA-N 0 0 387.524 3.175 40 0 GGABRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccc(OC)c2OC)C1=O ZINC000007071211 570416226 /nfs/dbraw/zinc/41/62/26/570416226.db2.gz YFZLTHFSFOPVFA-ZECSTPGPSA-N 0 0 379.434 3.082 40 0 GGABRN Cc1cccc(CSCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000013009154 570416247 /nfs/dbraw/zinc/41/62/47/570416247.db2.gz KURWTKJSLGYTPV-UHFFFAOYSA-N 0 0 398.528 3.301 40 0 GGABRN CCOc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000004904635 570416627 /nfs/dbraw/zinc/41/66/27/570416627.db2.gz UCSGFUVUTYEBAN-CQSZACIVSA-N 0 0 394.518 3.186 40 0 GGABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1F ZINC000222630287 570417623 /nfs/dbraw/zinc/41/76/23/570417623.db2.gz UQCUMFIRXBCTSF-CQSZACIVSA-N 0 0 392.471 3.361 40 0 GGABRN CC1CCC(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1 ZINC000013012586 570417854 /nfs/dbraw/zinc/41/78/54/570417854.db2.gz RJUHMHJENWNPBW-UHFFFAOYSA-N 0 0 386.517 3.474 40 0 GGABRN CCc1ccc(N(CCCC(=O)NCCc2ccccc2)S(C)(=O)=O)cc1 ZINC000222638673 570418053 /nfs/dbraw/zinc/41/80/53/570418053.db2.gz IFCUSVUSXHPFOK-UHFFFAOYSA-N 0 0 388.533 3.154 40 0 GGABRN CO[C@@H]1O[C@H](C)[C@H](NC(C)=O)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000004921307 570418330 /nfs/dbraw/zinc/41/83/30/570418330.db2.gz GSECPFIRSYRVCS-WWFBMYBLSA-N 0 0 399.487 3.053 40 0 GGABRN Cn1c(C(=O)O[C@H](C(=O)NCc2ccco2)c2cccnc2)cc2sccc21 ZINC000004924046 570418331 /nfs/dbraw/zinc/41/83/31/570418331.db2.gz RLMDNRDLPHTOOQ-SFHVURJKSA-N 0 0 395.440 3.442 40 0 GGABRN Cc1cccc(-c2noc(CNC(=O)CCc3ccc4c(c3)OCCO4)n2)c1 ZINC000222646513 570418488 /nfs/dbraw/zinc/41/84/88/570418488.db2.gz CBXNGNJAXYPPRN-UHFFFAOYSA-N 0 0 379.416 3.065 40 0 GGABRN O=C(CN1C(=O)S/C(=C/c2cccn2-c2ccc(F)cc2)C1=O)N1CCCC1 ZINC000004933232 570418631 /nfs/dbraw/zinc/41/86/31/570418631.db2.gz OJKIWNVOUBPMED-SFQUDFHCSA-N 0 0 399.447 3.275 40 0 GGABRN C[C@H](NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O)c1ccccc1 ZINC000222649801 570418679 /nfs/dbraw/zinc/41/86/79/570418679.db2.gz JRTZPHMGBHBADJ-HNNXBMFYSA-N 0 0 378.469 3.249 40 0 GGABRN CS(=O)(=O)N(CCCC(=O)NCCCc1ccccc1)c1ccccc1F ZINC000222659034 570419390 /nfs/dbraw/zinc/41/93/90/570419390.db2.gz LXMRWCLYEZQZQF-UHFFFAOYSA-N 0 0 392.496 3.121 40 0 GGABRN Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCC(C)(C)C)cc1 ZINC000222685909 570420726 /nfs/dbraw/zinc/42/07/26/570420726.db2.gz JRKHXCDAIDGPCC-UHFFFAOYSA-N 0 0 390.505 3.337 40 0 GGABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCc2cccc(C)c2)cc1 ZINC000026022111 570421450 /nfs/dbraw/zinc/42/14/50/570421450.db2.gz OAWMAJMHOIPHQJ-UHFFFAOYSA-N 0 0 388.533 3.275 40 0 GGABRN COc1cc(CNC(=O)CSCc2ccccc2F)cc(OC)c1OC ZINC000222708748 570421593 /nfs/dbraw/zinc/42/15/93/570421593.db2.gz LBFVUPZHUSGQFO-UHFFFAOYSA-N 0 0 379.453 3.401 40 0 GGABRN O=C(NCc1nc(-c2ccc(Cl)cc2)cs1)c1cccc(-n2cnnn2)c1 ZINC000072260049 570421784 /nfs/dbraw/zinc/42/17/84/570421784.db2.gz JVONMXPIBTZPMG-UHFFFAOYSA-N 0 0 396.863 3.369 40 0 GGABRN Cc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1C ZINC000222712707 570421936 /nfs/dbraw/zinc/42/19/36/570421936.db2.gz ZOFLBQYLRKXLOC-GFCCVEGCSA-N 0 0 396.538 3.179 40 0 GGABRN CC(C)(C)c1cc(NC(=O)c2ccccc2Cl)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000026130470 570422797 /nfs/dbraw/zinc/42/27/97/570422797.db2.gz GSGWNGZINFKDCV-GFCCVEGCSA-N 0 0 395.912 3.446 40 0 GGABRN COC(=O)c1ccc(CN2C(=O)S/C(=C\c3ccc(O)c(OC)c3)C2=O)cc1 ZINC000005001132 570423204 /nfs/dbraw/zinc/42/32/04/570423204.db2.gz DGTQJPPFUZAHAF-YVLHZVERSA-N 0 0 399.424 3.424 40 0 GGABRN COC(=O)c1c(C)c(C)sc1NC(=O)CCn1cnc2c(C)cccc2c1=O ZINC000016467807 570423415 /nfs/dbraw/zinc/42/34/15/570423415.db2.gz SVETZAFIGLJQSI-UHFFFAOYSA-N 0 0 399.472 3.199 40 0 GGABRN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccs2)c(OC)c1 ZINC000005008079 570423471 /nfs/dbraw/zinc/42/34/71/570423471.db2.gz AYINBSINUMPUDE-KRWDZBQOSA-N 0 0 397.460 3.284 40 0 GGABRN COCCn1c(C)cc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)c1C ZINC000005007708 570423599 /nfs/dbraw/zinc/42/35/99/570423599.db2.gz BWTDABGLOJYDBR-XNTDXEJSSA-N 0 0 394.493 3.129 40 0 GGABRN COc1ccc(Cl)cc1S(=O)(=O)NCCCN1c2ccccc2C[C@@H]1C ZINC000222747591 570423843 /nfs/dbraw/zinc/42/38/43/570423843.db2.gz ABPKIGHMYWLJSO-AWEZNQCLSA-N 0 0 394.924 3.468 40 0 GGABRN CS(=O)(=O)N(CC(=O)NCc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000222760787 570424264 /nfs/dbraw/zinc/42/42/64/570424264.db2.gz RTUUUMJXIDERGM-UHFFFAOYSA-N 0 0 386.448 3.061 40 0 GGABRN CCc1ccccc1N(CC(=O)NCc1ccc2ccccc2c1)S(C)(=O)=O ZINC000222759312 570424277 /nfs/dbraw/zinc/42/42/77/570424277.db2.gz PHPOOAUWAFNVSX-UHFFFAOYSA-N 0 0 396.512 3.485 40 0 GGABRN COc1ccc(-c2noc(CN(C)C(=O)COc3ccc(C)cc3)n2)c(OC)c1 ZINC000222763782 570424587 /nfs/dbraw/zinc/42/45/87/570424587.db2.gz BHFZKMSYPYAFLF-UHFFFAOYSA-N 0 0 397.431 3.100 40 0 GGABRN C[C@@H](C(=O)NCc1ccccn1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000222762858 570424607 /nfs/dbraw/zinc/42/46/07/570424607.db2.gz BDFAMHOODUCVKC-IBGZPJMESA-N 0 0 387.483 3.358 40 0 GGABRN CCOCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000222763443 570424629 /nfs/dbraw/zinc/42/46/29/570424629.db2.gz MUUDHQKCTFFQBJ-LJQANCHMSA-N 0 0 382.504 3.189 40 0 GGABRN C[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000222766594 570424679 /nfs/dbraw/zinc/42/46/79/570424679.db2.gz HPKNAUSOPMDRBK-UGKGYDQZSA-N 0 0 394.515 3.332 40 0 GGABRN COCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222768950 570424896 /nfs/dbraw/zinc/42/48/96/570424896.db2.gz BWPLRLHXYLESLK-INIZCTEOSA-N 0 0 388.895 3.062 40 0 GGABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCSc1ccccc1 ZINC000222780520 570425598 /nfs/dbraw/zinc/42/55/98/570425598.db2.gz OBXUMHSBCRXZSA-MRXNPFEDSA-N 0 0 386.517 3.341 40 0 GGABRN Cc1ccc(CN(CC(=O)Nc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 ZINC000222786158 570425782 /nfs/dbraw/zinc/42/57/82/570425782.db2.gz KEZKUIFXHZVCTE-UHFFFAOYSA-N 0 0 390.505 3.183 40 0 GGABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1 ZINC000222801308 570426436 /nfs/dbraw/zinc/42/64/36/570426436.db2.gz SHWDGDFDYPOQCB-NRFANRHFSA-N 0 0 398.503 3.406 40 0 GGABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1 ZINC000222801361 570426530 /nfs/dbraw/zinc/42/65/30/570426530.db2.gz SHWDGDFDYPOQCB-OAQYLSRUSA-N 0 0 398.503 3.406 40 0 GGABRN CC(C)c1ccccc1OCC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000222806736 570426777 /nfs/dbraw/zinc/42/67/77/570426777.db2.gz WVQXUXIAROHFMH-UHFFFAOYSA-N 0 0 376.478 3.223 40 0 GGABRN Cc1ccc(C(=O)NCc2ccc3ccccc3c2)cc1N(C)S(C)(=O)=O ZINC000222812940 570427061 /nfs/dbraw/zinc/42/70/61/570427061.db2.gz WOJYITYONGXCAS-UHFFFAOYSA-N 0 0 382.485 3.474 40 0 GGABRN CS(=O)(=O)N(CC(=O)NCc1cccc2ccccc21)c1ccc(F)cc1 ZINC000222839312 570428478 /nfs/dbraw/zinc/42/84/78/570428478.db2.gz DTTCZWASPOPUNF-UHFFFAOYSA-N 0 0 386.448 3.061 40 0 GGABRN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(OC(F)F)cc1 ZINC000026782581 570428726 /nfs/dbraw/zinc/42/87/26/570428726.db2.gz MAQVGJAGUPPKJD-GFCCVEGCSA-N 0 0 375.375 3.464 40 0 GGABRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)cc(C)c1C ZINC000222860605 570429140 /nfs/dbraw/zinc/42/91/40/570429140.db2.gz IYKVWOXVJDIJTR-SFHVURJKSA-N 0 0 398.503 3.163 40 0 GGABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1ccccc1C ZINC000222874081 570429462 /nfs/dbraw/zinc/42/94/62/570429462.db2.gz NQKZMCANOAHBFS-SFHVURJKSA-N 0 0 384.545 3.434 40 0 GGABRN COC(=O)c1cc(NC(=O)CCc2ccc3c(c2)OCCO3)ccc1Cl ZINC000026882980 570429611 /nfs/dbraw/zinc/42/96/11/570429611.db2.gz AYAYCWKSZBAQED-UHFFFAOYSA-N 0 0 375.808 3.469 40 0 GGABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc(C)cc1 ZINC000222874234 570429643 /nfs/dbraw/zinc/42/96/43/570429643.db2.gz BXXWARJBYQKFMY-SFHVURJKSA-N 0 0 384.545 3.434 40 0 GGABRN O=C(Nc1ccccc1)C1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC1 ZINC000011712609 570429722 /nfs/dbraw/zinc/42/97/22/570429722.db2.gz DTRUAQNMAOHXGT-UHFFFAOYSA-N 0 0 375.428 3.019 40 0 GGABRN C[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000222917236 570431448 /nfs/dbraw/zinc/43/14/48/570431448.db2.gz QORVAGXCVMNFQX-UTKZUKDTSA-N 0 0 398.478 3.081 40 0 GGABRN Cc1nnnn1C(=Cc1ccccc1)C(=O)OCC(=O)c1cc(C)ccc1C ZINC000005210611 570431452 /nfs/dbraw/zinc/43/14/52/570431452.db2.gz VDIXIIHHMXPWOG-UNOMPAQXSA-N 0 0 376.416 3.023 40 0 GGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(OC)cc1 ZINC000222926424 570431796 /nfs/dbraw/zinc/43/17/96/570431796.db2.gz FGWIAPKCIZATBB-OAHLLOKOSA-N 0 0 388.895 3.445 40 0 GGABRN O=C(CN1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1)Nc1ccccc1 ZINC000027126749 570431911 /nfs/dbraw/zinc/43/19/11/570431911.db2.gz SONQWDHLXQGOMO-UHFFFAOYSA-N 0 0 392.286 3.390 40 0 GGABRN COc1cc(OC)cc(C(=O)NCCSc2n[nH]c(-c3ccccc3)n2)c1 ZINC000222931790 570431990 /nfs/dbraw/zinc/43/19/90/570431990.db2.gz CGINBQDKDCSNMJ-UHFFFAOYSA-N 0 0 384.461 3.011 40 0 GGABRN CCOC(=O)C1(c2ccc(NC(=O)Cc3ccc(OC)c(OC)c3)cc2)CC1 ZINC000222940230 570432277 /nfs/dbraw/zinc/43/22/77/570432277.db2.gz KJEJAOUUTWNKOD-UHFFFAOYSA-N 0 0 383.444 3.480 40 0 GGABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1OC ZINC000222947844 570432578 /nfs/dbraw/zinc/43/25/78/570432578.db2.gz MKNHWMLQRIVRIC-GOSISDBHSA-N 0 0 398.503 3.408 40 0 GGABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(OC)cc1 ZINC000222947697 570432618 /nfs/dbraw/zinc/43/26/18/570432618.db2.gz IXFHJKVAOJXCBY-GOSISDBHSA-N 0 0 398.503 3.408 40 0 GGABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000222950881 570432882 /nfs/dbraw/zinc/43/28/82/570432882.db2.gz BPCHBJMMWBUPNE-NRFANRHFSA-N 0 0 398.503 3.408 40 0 GGABRN COc1cc([C@H]2c3cc4c(cc3O[C@@](C)(O)[C@@H]2C)OCO4)cc(OC)c1OC ZINC000005275478 570433040 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KRHUDMSBTFSOOC-UHFFFAOYSA-N 0 0 393.852 3.018 40 0 GGABRN O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000006553476 570476240 /nfs/dbraw/zinc/47/62/40/570476240.db2.gz ACXNJQHYYFNKLS-VQIMIIECSA-N 0 0 392.455 3.005 40 0 GGABRN COc1cccc(-c2noc(CNS(=O)(=O)Cc3cccc(Cl)c3)n2)c1 ZINC000223643416 570476345 /nfs/dbraw/zinc/47/63/45/570476345.db2.gz GENUVSJELKQJRI-UHFFFAOYSA-N 0 0 393.852 3.018 40 0 GGABRN COC(=O)c1cc(S(=O)(=O)NCCOc2ccc3ccccc3c2)ccc1C ZINC000223640519 570476379 /nfs/dbraw/zinc/47/63/79/570476379.db2.gz XFTFLLMHSXPIFH-UHFFFAOYSA-N 0 0 399.468 3.292 40 0 GGABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 ZINC000223647534 570476656 /nfs/dbraw/zinc/47/66/56/570476656.db2.gz RQZKIEDKBPGREM-ROUUACIJSA-N 0 0 386.521 3.174 40 0 GGABRN CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2c(F)cccc2F)cc1 ZINC000006322644 570476865 /nfs/dbraw/zinc/47/68/65/570476865.db2.gz IJIAXXQNIMVZFF-UHFFFAOYSA-N 0 0 398.431 3.059 40 0 GGABRN CCOc1ccc(N(CC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)cc1 ZINC000223651848 570476954 /nfs/dbraw/zinc/47/69/54/570476954.db2.gz JUFGOGBYCFWMQT-UHFFFAOYSA-N 0 0 384.542 3.182 40 0 GGABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CC2)c1C ZINC000223681238 570478353 /nfs/dbraw/zinc/47/83/53/570478353.db2.gz FDHUNQFCHGMILQ-PMACEKPBSA-N 0 0 398.532 3.370 40 0 GGABRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCC)c(OC)c2)C1=O ZINC000006387638 570478787 /nfs/dbraw/zinc/47/87/87/570478787.db2.gz SVXGDKBHDSXGJM-MDWZMJQESA-N 0 0 399.852 3.347 40 0 GGABRN COc1ccc(CCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1C ZINC000223685326 570478855 /nfs/dbraw/zinc/47/88/55/570478855.db2.gz VUSPTVUXRQHCDF-SFHVURJKSA-N 0 0 396.487 3.484 40 0 GGABRN Cc1nc(SCC(=O)N2CCN(c3ccccc3)CC2)nc2ccccc12 ZINC000006399634 570479115 /nfs/dbraw/zinc/47/91/15/570479115.db2.gz NAWFZYHKAXGGHI-UHFFFAOYSA-N 0 0 378.501 3.379 40 0 GGABRN CC(C)Oc1ccc(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000223691701 570479265 /nfs/dbraw/zinc/47/92/65/570479265.db2.gz QEKTVZGYTIPZKO-UHFFFAOYSA-N 0 0 394.468 3.013 40 0 GGABRN COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000223699653 570479706 /nfs/dbraw/zinc/47/97/06/570479706.db2.gz MAZVHMYDTYLJBI-HZPDHXFCSA-N 0 0 390.505 3.036 40 0 GGABRN CCOc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2OCC)cc1 ZINC000000780987 570479731 /nfs/dbraw/zinc/47/97/31/570479731.db2.gz UDAMIWHVTPMRJP-UHFFFAOYSA-N 0 0 399.476 3.191 40 0 GGABRN COc1cccc(NC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)c1 ZINC000000780465 570479801 /nfs/dbraw/zinc/47/98/01/570479801.db2.gz CTKSBCFPRKTZOX-UHFFFAOYSA-N 0 0 398.459 3.203 40 0 GGABRN CC[C@@H](C)NC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000006440073 570480128 /nfs/dbraw/zinc/48/01/28/570480128.db2.gz CGNXXNJCCGFQTL-GOSISDBHSA-N 0 0 388.533 3.409 40 0 GGABRN CCCn1nnnc1NC(=S)NC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000006462634 570480769 /nfs/dbraw/zinc/48/07/69/570480769.db2.gz PUPCDZYXPSJTHD-UHFFFAOYSA-N 0 0 390.856 3.123 40 0 GGABRN COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 ZINC000223714540 570480998 /nfs/dbraw/zinc/48/09/98/570480998.db2.gz XHYBXFFEZDOTNX-UHFFFAOYSA-N 0 0 375.490 3.320 40 0 GGABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(C)C)cc2)cc1C ZINC000006471630 570481203 /nfs/dbraw/zinc/48/12/03/570481203.db2.gz XIVTXEQRXNRHGE-UHFFFAOYSA-N 0 0 390.505 3.386 40 0 GGABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(F)cc1 ZINC000223724094 570481460 /nfs/dbraw/zinc/48/14/60/570481460.db2.gz QYOFPNSVFDNNHH-AWEZNQCLSA-N 0 0 392.858 3.411 40 0 GGABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C(C)C ZINC000223729782 570481796 /nfs/dbraw/zinc/48/17/96/570481796.db2.gz JHJWKILIBGTYJQ-RBUKOAKNSA-N 0 0 386.521 3.390 40 0 GGABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCC3)C2)c(C)c1 ZINC000000793412 570481867 /nfs/dbraw/zinc/48/18/67/570481867.db2.gz MNTWPFLMXIFEBT-KRWDZBQOSA-N 0 0 378.538 3.071 40 0 GGABRN COc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c(OC)c1 ZINC000223744414 570482747 /nfs/dbraw/zinc/48/27/47/570482747.db2.gz NYDKLRNULJGZAK-UHFFFAOYSA-N 0 0 391.489 3.286 40 0 GGABRN CCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@H]1c1ccc(F)c(F)c1 ZINC000000809426 570483732 /nfs/dbraw/zinc/48/37/32/570483732.db2.gz VSJATBHTZCWZIN-OAHLLOKOSA-N 0 0 399.349 3.329 40 0 GGABRN COc1cccc(-c2noc(CN(C)S(=O)(=O)c3cc(C)ccc3C)n2)c1 ZINC000223778855 570484267 /nfs/dbraw/zinc/48/42/67/570484267.db2.gz SXMDNXXNNYSMEY-UHFFFAOYSA-N 0 0 387.461 3.183 40 0 GGABRN CCCCCNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 ZINC000006597042 570484424 /nfs/dbraw/zinc/48/44/24/570484424.db2.gz OTVOXSNTZFPKSI-UHFFFAOYSA-N 0 0 390.505 3.197 40 0 GGABRN COc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)cc1NC(C)=O ZINC000223787979 570484746 /nfs/dbraw/zinc/48/47/46/570484746.db2.gz VGZRURZETVWOCH-UHFFFAOYSA-N 0 0 378.450 3.242 40 0 GGABRN CC(C)Oc1ccccc1NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000223794111 570485157 /nfs/dbraw/zinc/48/51/57/570485157.db2.gz VHFMTSOGRRDICL-GOSISDBHSA-N 0 0 376.478 3.045 40 0 GGABRN COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)c1 ZINC000223802098 570485185 /nfs/dbraw/zinc/48/51/85/570485185.db2.gz DPTVYITXMVEKRJ-UHFFFAOYSA-N 0 0 397.836 3.022 40 0 GGABRN CCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000006584009 570485283 /nfs/dbraw/zinc/48/52/83/570485283.db2.gz ZJLVQWOFOSLFJA-UHFFFAOYSA-N 0 0 377.466 3.418 40 0 GGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(CC)cc1 ZINC000223822483 570485655 /nfs/dbraw/zinc/48/56/55/570485655.db2.gz UYUCGJKYYUOLOX-MRXNPFEDSA-N 0 0 386.467 3.320 40 0 GGABRN COC(=O)c1ccc(C)c(S(=O)(=O)NCCOc2ccccc2C(C)C)c1 ZINC000223830136 570486234 /nfs/dbraw/zinc/48/62/34/570486234.db2.gz CGCYNJAKNJDYSK-UHFFFAOYSA-N 0 0 391.489 3.262 40 0 GGABRN C[C@@H](Sc1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000030064210 570486251 /nfs/dbraw/zinc/48/62/51/570486251.db2.gz GDAPULSEUVDIQD-CQSZACIVSA-N 0 0 390.530 3.007 40 0 GGABRN COc1ccc(-c2noc(CCC(=O)N3CCc4ccccc4C3)n2)cc1OC ZINC000138416622 570486467 /nfs/dbraw/zinc/48/64/67/570486467.db2.gz NEBXEZSSLDJDDM-UHFFFAOYSA-N 0 0 393.443 3.271 40 0 GGABRN CCOC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)c1C ZINC000223837526 570486665 /nfs/dbraw/zinc/48/66/65/570486665.db2.gz NBNFCMLHHLHFSL-UHFFFAOYSA-N 0 0 391.445 3.068 40 0 GGABRN COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 ZINC000223851634 570486941 /nfs/dbraw/zinc/48/69/41/570486941.db2.gz ZTHLJJNKNYVBJF-PMACEKPBSA-N 0 0 394.500 3.412 40 0 GGABRN O=C(OCCCNC(=O)c1cccc(F)c1)c1snnc1-c1cccs1 ZINC000223849002 570487051 /nfs/dbraw/zinc/48/70/51/570487051.db2.gz NHGZKVRATCKJBE-UHFFFAOYSA-N 0 0 391.449 3.383 40 0 GGABRN COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 ZINC000223851571 570487061 /nfs/dbraw/zinc/48/70/61/570487061.db2.gz ZTHLJJNKNYVBJF-VQTJNVASSA-N 0 0 394.500 3.412 40 0 GGABRN COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 ZINC000223851445 570487096 /nfs/dbraw/zinc/48/70/96/570487096.db2.gz ZTHLJJNKNYVBJF-WOJBJXKFSA-N 0 0 394.500 3.412 40 0 GGABRN COC(=O)c1cc(S(=O)(=O)NCc2cccc(OC(C)C)c2)ccc1C ZINC000223858690 570487556 /nfs/dbraw/zinc/48/75/56/570487556.db2.gz NLAACDBSUQSUCG-UHFFFAOYSA-N 0 0 377.462 3.047 40 0 GGABRN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223865745 570487587 /nfs/dbraw/zinc/48/75/87/570487587.db2.gz JSOPMKZNFYATLN-UONOGXRCSA-N 0 0 396.459 3.305 40 0 GGABRN Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000223862545 570487624 /nfs/dbraw/zinc/48/76/24/570487624.db2.gz IYTFUXXUNOVZBU-CVEARBPZSA-N 0 0 375.490 3.352 40 0 GGABRN COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2cccc(OC(C)C)c2)c1 ZINC000223865923 570487632 /nfs/dbraw/zinc/48/76/32/570487632.db2.gz KKXCYNCOOYHKAI-UHFFFAOYSA-N 0 0 397.880 3.392 40 0 GGABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223869620 570487852 /nfs/dbraw/zinc/48/78/52/570487852.db2.gz LYIGEXSLEBHETL-FZKQIMNGSA-N 0 0 379.453 3.264 40 0 GGABRN Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C ZINC000223873385 570487965 /nfs/dbraw/zinc/48/79/65/570487965.db2.gz BEOVMJBCAAQJNF-CVEARBPZSA-N 0 0 375.490 3.352 40 0 GGABRN CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223874165 570488092 /nfs/dbraw/zinc/48/80/92/570488092.db2.gz ROTSTNBDXNPVAV-PBHICJAKSA-N 0 0 391.489 3.134 40 0 GGABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223874385 570488282 /nfs/dbraw/zinc/48/82/82/570488282.db2.gz MEJSJQRAZDXQSX-DNVCBOLYSA-N 0 0 375.490 3.433 40 0 GGABRN COc1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)cc1F ZINC000030334485 570488434 /nfs/dbraw/zinc/48/84/34/570488434.db2.gz SQKJYSIGDVMGIR-UHFFFAOYSA-N 0 0 375.421 3.345 40 0 GGABRN COc1ccc(CCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C ZINC000223890702 570488751 /nfs/dbraw/zinc/48/87/51/570488751.db2.gz KTJCWESFTHDURR-HNNXBMFYSA-N 0 0 375.490 3.217 40 0 GGABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccccc1F ZINC000223885550 570488943 /nfs/dbraw/zinc/48/89/43/570488943.db2.gz UBEBAZGQJSZOET-OAHLLOKOSA-N 0 0 390.430 3.287 40 0 GGABRN C[C@@H](NC(=O)COc1cccc2c1CCCC2)c1ccc(S(C)(=O)=O)cc1 ZINC000223889514 570489007 /nfs/dbraw/zinc/48/90/07/570489007.db2.gz DCFAULTYEUKGAS-OAHLLOKOSA-N 0 0 387.501 3.225 40 0 GGABRN CCOc1cccc(CN(C)S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)c1 ZINC000223896142 570489189 /nfs/dbraw/zinc/48/91/89/570489189.db2.gz XYYZVIFKUMORFK-UHFFFAOYSA-N 0 0 377.462 3.001 40 0 GGABRN CCOc1cccc(CN(C)S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)c1 ZINC000223901813 570489588 /nfs/dbraw/zinc/48/95/88/570489588.db2.gz AYJUCAUHPNGGPW-UHFFFAOYSA-N 0 0 397.880 3.346 40 0 GGABRN Cc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1NS(C)(=O)=O ZINC000030446200 570489589 /nfs/dbraw/zinc/48/95/89/570489589.db2.gz CKMBAOCDKZDJBG-UHFFFAOYSA-N 0 0 398.484 3.329 40 0 GGABRN CCc1noc(C)c1C(=O)OCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000005167917 570490282 /nfs/dbraw/zinc/49/02/82/570490282.db2.gz ZUPICQSFYICNBM-UHFFFAOYSA-N 0 0 382.420 3.143 40 0 GGABRN O=C(NCCCc1ccco1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223930688 570490615 /nfs/dbraw/zinc/49/06/15/570490615.db2.gz GOYVZDZVZXPGCO-UHFFFAOYSA-N 0 0 384.457 3.443 40 0 GGABRN Cc1cccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1C ZINC000223943970 570491429 /nfs/dbraw/zinc/49/14/29/570491429.db2.gz DZXHUSHEOWNINF-UHFFFAOYSA-N 0 0 396.896 3.137 40 0 GGABRN CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000005172556 570491968 /nfs/dbraw/zinc/49/19/68/570491968.db2.gz KVCTXVFRATWEST-UHFFFAOYSA-N 0 0 386.517 3.013 40 0 GGABRN CCCc1ccc(OCCNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000223976911 570492259 /nfs/dbraw/zinc/49/22/59/570492259.db2.gz DVWLLXBZICHEFN-UHFFFAOYSA-N 0 0 379.478 3.014 40 0 GGABRN COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCc3cc(OC)ccc32)ccc1C ZINC000223976581 570492319 /nfs/dbraw/zinc/49/23/19/570492319.db2.gz FYAWHRZMKYYWFK-LJQANCHMSA-N 0 0 389.473 3.146 40 0 GGABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC(C)C)cc2)cc1 ZINC000223983903 570492794 /nfs/dbraw/zinc/49/27/94/570492794.db2.gz VSSJSQQZWYWIRQ-UHFFFAOYSA-N 0 0 376.478 3.272 40 0 GGABRN CCC(CC)NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000223987736 570493132 /nfs/dbraw/zinc/49/31/32/570493132.db2.gz 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/nfs/dbraw/zinc/75/99/13/570759913.db2.gz CEMUWUAPTGLKDW-UHFFFAOYSA-N 0 0 383.395 3.211 40 0 GGABRN CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCCCCCC1 ZINC000032720232 570760925 /nfs/dbraw/zinc/76/09/25/570760925.db2.gz HBQOHCJVRZYSOG-GOSISDBHSA-N 0 0 398.594 3.188 40 0 GGABRN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3CC)C2)cc1 ZINC000007881914 570762364 /nfs/dbraw/zinc/76/23/64/570762364.db2.gz CDQJLLPGCURAFB-KRWDZBQOSA-N 0 0 380.444 3.417 40 0 GGABRN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1 ZINC000007882542 570762765 /nfs/dbraw/zinc/76/27/65/570762765.db2.gz OSWPMXUUPBUDNU-KRWDZBQOSA-N 0 0 380.444 3.472 40 0 GGABRN Cc1cc(OC2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)cc(=O)o1 ZINC000206971533 570762881 /nfs/dbraw/zinc/76/28/81/570762881.db2.gz LWQSQYNLSQTHQK-UHFFFAOYSA-N 0 0 397.471 3.066 40 0 GGABRN C[C@@H]1Cc2ccccc2N1C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000013613098 570762950 /nfs/dbraw/zinc/76/29/50/570762950.db2.gz NKYIGDRRJZPBAK-GFCCVEGCSA-N 0 0 396.871 3.223 40 0 GGABRN Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1C ZINC000007914985 570763281 /nfs/dbraw/zinc/76/32/81/570763281.db2.gz GPYMNQOHNFGMBZ-MRXNPFEDSA-N 0 0 390.480 3.482 40 0 GGABRN Cc1ccc(N(CCCC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)cc1 ZINC000008041616 570763649 /nfs/dbraw/zinc/76/36/49/570763649.db2.gz VRXPIKXNUGWJKT-UHFFFAOYSA-N 0 0 382.432 3.458 40 0 GGABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1C ZINC000008041570 570763673 /nfs/dbraw/zinc/76/36/73/570763673.db2.gz TXIRCVXLFQFYQV-QGZVFWFLSA-N 0 0 382.460 3.182 40 0 GGABRN COc1ccc(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000008050498 570764009 /nfs/dbraw/zinc/76/40/09/570764009.db2.gz JBALZHZGYSIPQI-UHFFFAOYSA-N 0 0 376.478 3.189 40 0 GGABRN COc1ccc([C@H]2CCCN2S(=O)(=O)c2cc(C)ccc2NC(C)=O)cc1 ZINC000036620457 570764326 /nfs/dbraw/zinc/76/43/26/570764326.db2.gz JKEDHJAIRIVWTI-LJQANCHMSA-N 0 0 388.489 3.488 40 0 GGABRN COc1ccc(C(=O)Nc2ccc(-c3nn4c(C)nnc4s3)cc2)c(OC)c1 ZINC000008072213 570764525 /nfs/dbraw/zinc/76/45/25/570764525.db2.gz NEKSZQRPPPDVMQ-UHFFFAOYSA-N 0 0 395.444 3.431 40 0 GGABRN Cc1cccc(CCCNC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000013647149 570766436 /nfs/dbraw/zinc/76/64/36/570766436.db2.gz ZIIOXXJZVCMALI-UHFFFAOYSA-N 0 0 388.533 3.127 40 0 GGABRN Cc1cc(C)cc(N([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)S(C)(=O)=O)c1 ZINC000013648315 570766826 /nfs/dbraw/zinc/76/68/26/570766826.db2.gz MSPCHKNNKVYMGZ-IRXDYDNUSA-N 0 0 386.517 3.436 40 0 GGABRN COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)N1CCCCCC1 ZINC000008404942 570768495 /nfs/dbraw/zinc/76/84/95/570768495.db2.gz PCLKGXWZSYESCU-UHFFFAOYSA-N 0 0 394.537 3.322 40 0 GGABRN Cc1ccc(N2C(=O)c3ccc(C(=O)NC[C@H]4CCCO4)cc3C2=O)cc1C ZINC000008471714 570769192 /nfs/dbraw/zinc/76/91/92/570769192.db2.gz ULMOFKSKCLOEQC-QGZVFWFLSA-N 0 0 378.428 3.013 40 0 GGABRN C[C@@H](C(=O)NCCCc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013674077 570771263 /nfs/dbraw/zinc/77/12/63/570771263.db2.gz CUOFVKUZERNGRB-HNNXBMFYSA-N 0 0 394.924 3.244 40 0 GGABRN COc1ccc(S(=O)(=O)NC(C(C)C)C(C)C)cc1C(=O)N1CCCCC1 ZINC000008560524 570771319 /nfs/dbraw/zinc/77/13/19/570771319.db2.gz QTPNNBJMKOOLNM-UHFFFAOYSA-N 0 0 396.553 3.280 40 0 GGABRN CCCNS(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2C)ccc1OC ZINC000009063870 570774371 /nfs/dbraw/zinc/77/43/71/570774371.db2.gz PAEHCDNQPSTXSZ-UHFFFAOYSA-N 0 0 376.478 3.253 40 0 GGABRN COc1cc(OC)c(OC)cc1/C=C1/N=C(c2ccc(F)cc2F)OC1=O ZINC000097998195 570775321 /nfs/dbraw/zinc/77/53/21/570775321.db2.gz FUCOHTUZYYHDEG-MKMNVTDBSA-N 0 0 375.327 3.335 40 0 GGABRN CCn1c(SCC(=O)NC(=O)Nc2ccccc2F)nnc1-c1ccco1 ZINC000007976317 570777726 /nfs/dbraw/zinc/77/77/26/570777726.db2.gz ANZWPTYQRCUVLU-UHFFFAOYSA-N 0 0 389.412 3.138 40 0 GGABRN CCOC(=O)c1sc2ncn(CCOc3ccccc3F)c(=O)c2c1C ZINC000022034773 570778248 /nfs/dbraw/zinc/77/82/48/570778248.db2.gz BXXNNWWRGSSCPS-UHFFFAOYSA-N 0 0 376.409 3.161 40 0 GGABRN Cc1cccc(CCCNC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c1 ZINC000010110699 570781594 /nfs/dbraw/zinc/78/15/94/570781594.db2.gz HCEMQLISUVVYQV-UHFFFAOYSA-N 0 0 388.533 3.127 40 0 GGABRN CCS(=O)(=O)Nc1ccc(C(=O)NCCSCc2ccccc2F)cc1 ZINC000010112072 570781948 /nfs/dbraw/zinc/78/19/48/570781948.db2.gz SYTGYWDHKIFFDB-UHFFFAOYSA-N 0 0 396.509 3.251 40 0 GGABRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)COc1ccccc1F ZINC000010119987 570782736 /nfs/dbraw/zinc/78/27/36/570782736.db2.gz PUIGEYWYFVWSHK-UHFFFAOYSA-N 0 0 399.407 3.018 40 0 GGABRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)COc1cccc(C)c1 ZINC000010119961 570782802 /nfs/dbraw/zinc/78/28/02/570782802.db2.gz BDEHDKZTKAHKOD-UHFFFAOYSA-N 0 0 395.444 3.187 40 0 GGABRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)COc1ccccc1C ZINC000010119960 570782851 /nfs/dbraw/zinc/78/28/51/570782851.db2.gz DEDGQSRPURPTEB-UHFFFAOYSA-N 0 0 395.444 3.187 40 0 GGABRN C[C@H]1C(=O)N(CC(=O)N2CCC[C@@H]2c2cccs2)C(=O)N1c1ccccc1 ZINC000036660243 570783125 /nfs/dbraw/zinc/78/31/25/570783125.db2.gz MDJBHCHZEJFVGN-GOEBONIOSA-N 0 0 383.473 3.269 40 0 GGABRN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000007081355 570783543 /nfs/dbraw/zinc/78/35/43/570783543.db2.gz IJIYRDSSAICZBE-ZDUSSCGKSA-N 0 0 378.461 3.169 40 0 GGABRN COc1ccc(C(=O)Nc2cc(-c3nn4cnnc4s3)ccc2OC)cc1 ZINC000010119849 570784049 /nfs/dbraw/zinc/78/40/49/570784049.db2.gz QRSSDVUVDJRWFE-UHFFFAOYSA-N 0 0 381.417 3.122 40 0 GGABRN Cc1ccc2c(c1)C(=O)CC1(CCN(S(=O)(=O)c3cccs3)CC1)O2 ZINC000170550235 570787206 /nfs/dbraw/zinc/78/72/06/570787206.db2.gz NFBZPWGWXSFFCF-UHFFFAOYSA-N 0 0 377.487 3.245 40 0 GGABRN Cc1c(C(=O)OCc2nc(-c3ccsc3)no2)sc2[nH]c(C)nc(=O)c12 ZINC000007100029 570787538 /nfs/dbraw/zinc/78/75/38/570787538.db2.gz LOTGHFWUHOXZMX-UHFFFAOYSA-N 0 0 388.430 3.070 40 0 GGABRN CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(C)cc1 ZINC000261362630 570788116 /nfs/dbraw/zinc/78/81/16/570788116.db2.gz MJILAJYOMWZCNS-LJQANCHMSA-O 0 0 379.465 3.080 40 0 GGABRN CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1C ZINC000261362634 570788191 /nfs/dbraw/zinc/78/81/91/570788191.db2.gz MLDRIPCDBPYEJE-LJQANCHMSA-O 0 0 379.465 3.080 40 0 GGABRN CC[C@H](C)NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000010332880 570788319 /nfs/dbraw/zinc/78/83/19/570788319.db2.gz OHFHPVMKGSEODK-AWEZNQCLSA-N 0 0 378.469 3.320 40 0 GGABRN CC(C)CNC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000010337875 570788732 /nfs/dbraw/zinc/78/87/32/570788732.db2.gz MWEPFTQHLUXHNO-UHFFFAOYSA-N 0 0 378.469 3.178 40 0 GGABRN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccccc1N1CCCCC1 ZINC000032736336 570789007 /nfs/dbraw/zinc/78/90/07/570789007.db2.gz KUXHJIJFWNOZRR-UHFFFAOYSA-N 0 0 392.459 3.121 40 0 GGABRN CCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@H]1c1ccccc1 ZINC000261366462 570789114 /nfs/dbraw/zinc/78/91/14/570789114.db2.gz ZXCLHVFLNGLJME-IBGZPJMESA-O 0 0 379.465 3.162 40 0 GGABRN C[C@@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC000010324701 570789316 /nfs/dbraw/zinc/78/93/16/570789316.db2.gz OLUBLGKZPFGNKW-JKSUJKDBSA-N 0 0 386.517 3.148 40 0 GGABRN O=C([O-])[C@H](CC(=O)Nc1ccc(Cl)cc1)[NH2+]CCc1c[nH]c2ccccc12 ZINC000010385311 570790093 /nfs/dbraw/zinc/79/00/93/570790093.db2.gz XFFSAINQLBWCLK-SFHVURJKSA-N 0 0 385.851 3.435 40 0 GGABRN CCN(Cc1nnc2n1c1ccsc1c(=O)n2C)Cc1ccccc1Cl ZINC000052699807 570790370 /nfs/dbraw/zinc/79/03/70/570790370.db2.gz MNPFTVDESLRBSV-UHFFFAOYSA-N 0 0 387.896 3.318 40 0 GGABRN Cn1ncc2c1ncnc2N1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000025570862 570791437 /nfs/dbraw/zinc/79/14/37/570791437.db2.gz HQOZBBOIMRYYQI-AWEZNQCLSA-N 0 0 391.262 3.278 40 0 GGABRN Cc1ccc(N(CC(=O)N2CCC[C@H](C)C2)S(=O)(=O)c2ccccc2)cc1 ZINC000010541109 570791481 /nfs/dbraw/zinc/79/14/81/570791481.db2.gz IKMGQVFAZUOZPL-SFHVURJKSA-N 0 0 386.517 3.449 40 0 GGABRN CC(C)Oc1ccc(CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000010543359 570791897 /nfs/dbraw/zinc/79/18/97/570791897.db2.gz KZANUDONIDTWPA-UHFFFAOYSA-N 0 0 391.489 3.156 40 0 GGABRN COc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1OC ZINC000010544164 570792000 /nfs/dbraw/zinc/79/20/00/570792000.db2.gz HJKAFXXUCMTEAQ-HNNXBMFYSA-N 0 0 377.462 3.285 40 0 GGABRN CCOc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1 ZINC000010543736 570792095 /nfs/dbraw/zinc/79/20/95/570792095.db2.gz GRRQDSXCYGCNPV-UHFFFAOYSA-N 0 0 379.478 3.360 40 0 GGABRN CCc1ccc([C@@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C(C)C)cc1 ZINC000032759189 570794836 /nfs/dbraw/zinc/79/48/36/570794836.db2.gz OXARAZRTNYDYCY-IBGZPJMESA-N 0 0 395.546 3.328 40 0 GGABRN CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc3c(c2)OCCO3)NC(=S)N1 ZINC000005825630 570795269 /nfs/dbraw/zinc/79/52/69/570795269.db2.gz BHVUIABSCWKORY-SFHVURJKSA-N 0 0 399.447 3.028 40 0 GGABRN CC[C@@H](C(=O)OCC(=O)NCCc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000005838829 570796231 /nfs/dbraw/zinc/79/62/31/570796231.db2.gz GUPDQFROEBKHOH-GOSISDBHSA-N 0 0 385.460 3.100 40 0 GGABRN Cc1ccc([C@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1 ZINC000011691788 570797295 /nfs/dbraw/zinc/79/72/95/570797295.db2.gz HDJRWJZWECDZGG-HDMKZQKVSA-N 0 0 394.418 3.264 40 0 GGABRN O=C(Cc1c[nH]c2ccccc12)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000018046626 570797493 /nfs/dbraw/zinc/79/74/93/570797493.db2.gz AAZXFPNDDZDALY-NRFANRHFSA-N 0 0 381.451 3.039 40 0 GGABRN CC(C)Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000032755579 570798030 /nfs/dbraw/zinc/79/80/30/570798030.db2.gz AWVOQUGRGOOJAA-HNNXBMFYSA-N 0 0 395.546 3.328 40 0 GGABRN CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000005862334 570798378 /nfs/dbraw/zinc/79/83/78/570798378.db2.gz GGVLQOBBLOXHMY-SFHVURJKSA-N 0 0 380.444 3.241 40 0 GGABRN CC(C)[C@H](NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)c1cccs1 ZINC000007121946 570799456 /nfs/dbraw/zinc/79/94/56/570799456.db2.gz HIJBJXZQDUNOLF-INIZCTEOSA-N 0 0 377.510 3.206 40 0 GGABRN COc1ccc(CCNC(=O)C2(c3cccs3)CCOCC2)cc1OC ZINC000004478930 570800755 /nfs/dbraw/zinc/80/07/55/570800755.db2.gz LEGTVQSASXJPRF-UHFFFAOYSA-N 0 0 375.490 3.172 40 0 GGABRN CN(CCOc1ccc(F)cc1)C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000023019982 570801322 /nfs/dbraw/zinc/80/13/22/570801322.db2.gz PVRKWBAAPUAXBE-HNNXBMFYSA-N 0 0 390.480 3.277 40 0 GGABRN Cc1c(C(=O)N[C@@H](c2nccn2C)c2ccc(F)cc2)[nH]c2c1C(=O)CCC2 ZINC000022196229 570801589 /nfs/dbraw/zinc/80/15/89/570801589.db2.gz ZYNNKQIWYUHVPZ-LJQANCHMSA-N 0 0 380.423 3.234 40 0 GGABRN O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2cccc(F)c2)cc1 ZINC000023025852 570801776 /nfs/dbraw/zinc/80/17/76/570801776.db2.gz ZJWTVOXMAMDTLD-UHFFFAOYSA-N 0 0 388.464 3.071 40 0 GGABRN C[C@]1(c2cc(F)ccc2F)NC(=O)N(CCOc2ccccc2Cl)C1=O ZINC000007132206 570803164 /nfs/dbraw/zinc/80/31/64/570803164.db2.gz SHIYDDPXTKAIRG-GOSISDBHSA-N 0 0 380.778 3.464 40 0 GGABRN CCOc1ccc2[nH]c(SCC(=O)NC(=O)c3ccccc3OC)nc2c1 ZINC000007133525 570804024 /nfs/dbraw/zinc/80/40/24/570804024.db2.gz UKASEESEXRCYRE-UHFFFAOYSA-N 0 0 385.445 3.019 40 0 GGABRN Cc1ccc(Cl)cc1N(CC(=O)NCCCc1ccccc1)S(C)(=O)=O ZINC000010110229 570805336 /nfs/dbraw/zinc/80/53/36/570805336.db2.gz CPIZVJFGUBUYIP-UHFFFAOYSA-N 0 0 394.924 3.163 40 0 GGABRN COc1cc(C)ccc1NC(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000026780156 570806861 /nfs/dbraw/zinc/80/68/61/570806861.db2.gz KCTGATCEKDZFRJ-UHFFFAOYSA-N 0 0 390.461 3.156 40 0 GGABRN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc3c(c2)OCO3)NC(=O)N1 ZINC000026780269 570806874 /nfs/dbraw/zinc/80/68/74/570806874.db2.gz HLPSUQRNSUFDRW-KRWDZBQOSA-N 0 0 385.807 3.335 40 0 GGABRN Cc1ccccc1NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012470710 570807177 /nfs/dbraw/zinc/80/71/77/570807177.db2.gz OIDRXIJDPQIJNU-UHFFFAOYSA-N 0 0 394.471 3.300 40 0 GGABRN Cc1cccc(NC(=O)CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000012470716 570807224 /nfs/dbraw/zinc/80/72/24/570807224.db2.gz UNQYBDBMTABQIW-UHFFFAOYSA-N 0 0 394.471 3.300 40 0 GGABRN O=C(CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)Nc1ccccc1F ZINC000012470807 570807282 /nfs/dbraw/zinc/80/72/82/570807282.db2.gz KCPJYJAXNFJKRC-UHFFFAOYSA-N 0 0 398.434 3.130 40 0 GGABRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)OC)c2)cc1 ZINC000036739316 570807550 /nfs/dbraw/zinc/80/75/50/570807550.db2.gz NAMYLDQFVIHFCA-UHFFFAOYSA-N 0 0 376.478 3.463 40 0 GGABRN COc1cc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)cc(Cl)c1OC 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GILQYHJHLYKWRL-KRWDZBQOSA-N 0 0 378.480 3.275 40 0 GGABRN CC(=O)N1CCC[C@@]1(Cc1cc(-c2ccccc2)no1)C(=O)NC1(C)CCC1 ZINC000019696640 1399334926 /nfs/dbraw/zinc/33/49/26/1399334926.db2.gz JDBPXUMOLIBEGA-JOCHJYFZSA-N 0 0 381.476 3.324 40 0 GGABRN Cc1nnc2n1C[C@@H](c1cccc(NC(=O)c3cc(C(F)(F)F)[nH]n3)c1)CC2 ZINC000019699115 1399334982 /nfs/dbraw/zinc/33/49/82/1399334982.db2.gz OQYPQUQKEVLVGW-LBPRGKRZSA-N 0 0 390.369 3.311 40 0 GGABRN CC(=O)N1CCC[C@@]1(Cc1cc(-c2ccccc2)no1)C(=O)Nc1nccs1 ZINC000019696440 1399335044 /nfs/dbraw/zinc/33/50/44/1399335044.db2.gz JVNICPKTOYJORG-HXUWFJFHSA-N 0 0 396.472 3.360 40 0 GGABRN Cc1ncc(CN2Cc3cn(C)nc3[C@H](C(=O)Nc3ccccc3F)C2)s1 ZINC000019701572 1399335067 /nfs/dbraw/zinc/33/50/67/1399335067.db2.gz VPEVKQVWFQLFCK-OAHLLOKOSA-N 0 0 385.468 3.062 40 0 GGABRN Cn1nccc1C(=O)N1CC[C@@H](c2cc(COc3cccc(Cl)c3)n[nH]2)C1 ZINC000019704641 1399335703 /nfs/dbraw/zinc/33/57/03/1399335703.db2.gz KDKQNUHVURGMFR-CYBMUJFWSA-N 0 0 385.855 3.005 40 0 GGABRN COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC000019702417 1399335755 /nfs/dbraw/zinc/33/57/55/1399335755.db2.gz VHAOHVJXRKDYAJ-CYBMUJFWSA-N 0 0 389.521 3.035 40 0 GGABRN CCN(C(=O)c1cnccn1)[C@H]1CCO[C@@H](c2ccc(-c3cncnc3)cc2)C1 ZINC000019711979 1399336006 /nfs/dbraw/zinc/33/60/06/1399336006.db2.gz IDUHKGHBRFDUEK-PZJWPPBQSA-N 0 0 389.459 3.316 40 0 GGABRN CC(=O)N[C@@H]1CCO[C@H](c2ccccc2NC(=O)c2cc(C(F)(F)F)[nH]n2)C1 ZINC000019712282 1399336287 /nfs/dbraw/zinc/33/62/87/1399336287.db2.gz UDGINHJSHGKOSC-ABAIWWIYSA-N 0 0 396.369 3.037 40 0 GGABRN CCc1onc(C)c1C(=O)N1C[C@@H](c2ccccc2)[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712614 1399336317 /nfs/dbraw/zinc/33/63/17/1399336317.db2.gz QRKXNDDDODEVJT-FVJLSDCUSA-N 0 0 381.476 3.212 40 0 GGABRN CC(=O)N[C@H]1CCO[C@@H](c2cccc(NC(=O)c3cc(C(C)(C)C)nn3C)c2)C1 ZINC000019712278 1399336323 /nfs/dbraw/zinc/33/63/23/1399336323.db2.gz ZDATVEKGVGSLCX-PKOBYXMFSA-N 0 0 398.507 3.326 40 0 GGABRN CC(=O)N[C@@H]1C[C@H](C(C)C)O[C@H](c2ccc(NC(=O)c3cnccn3)cc2)C1 ZINC000019711774 1399336374 /nfs/dbraw/zinc/33/63/74/1399336374.db2.gz NMHXIAIARCBSEZ-RLLQIKCJSA-N 0 0 382.464 3.110 40 0 GGABRN COc1ccc(CC(=O)Nc2ccccc2[C@@H]2C[C@H](NC(C)=O)CCO2)cc1 ZINC000019712295 1399336385 /nfs/dbraw/zinc/33/63/85/1399336385.db2.gz MNTMYAGSXLFHQR-UTKZUKDTSA-N 0 0 382.460 3.233 40 0 GGABRN Cc1cnccc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712795 1399336589 /nfs/dbraw/zinc/33/65/89/1399336589.db2.gz KZVSVTLQLOBACP-ZVDOUQERSA-N 0 0 381.451 3.196 40 0 GGABRN CCc1[nH]nc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NC(=O)CCCC[C@H]32)c1C ZINC000019712819 1399336646 /nfs/dbraw/zinc/33/66/46/1399336646.db2.gz OMWFZFCBZLISDU-CDXJDZJCSA-N 0 0 398.482 3.087 40 0 GGABRN CC(=O)N1CCC[C@](O)(c2nc(C)c(CCOc3ccccc3F)s2)CC1 ZINC000019738728 1399337259 /nfs/dbraw/zinc/33/72/59/1399337259.db2.gz ODSQYAVASWCKOJ-HXUWFJFHSA-N 0 0 392.496 3.432 40 0 GGABRN Cc1nn(C)c2nc(C)cc(C(=O)Nc3ncc(-c4ccc(F)cc4)n3C)c12 ZINC000019716117 1399337558 /nfs/dbraw/zinc/33/75/58/1399337558.db2.gz IALOHBRTYWPSCT-UHFFFAOYSA-N 0 0 378.411 3.377 40 0 GGABRN CCC(=O)N1CCC[C@H](c2ncc(C(=O)Nc3ccc(OC)cc3)c(C)n2)C1 ZINC000019765175 1399337979 /nfs/dbraw/zinc/33/79/79/1399337979.db2.gz BSHBTNRFEAZLSH-HNNXBMFYSA-N 0 0 382.464 3.162 40 0 GGABRN NC(=O)c1cc([C@H]2CN(Cc3ccnc4ccccc34)CCO2)nc2ccccc21 ZINC000019759619 1399338053 /nfs/dbraw/zinc/33/80/53/1399338053.db2.gz LQSWZFCCNXFTBU-HSZRJFAPSA-N 0 0 398.466 3.455 40 0 GGABRN CCC(=O)N1CCC[C@@H](c2ncc(C(=O)Nc3ccc(OC)cc3)c(C)n2)C1 ZINC000019765173 1399338246 /nfs/dbraw/zinc/33/82/46/1399338246.db2.gz BSHBTNRFEAZLSH-OAHLLOKOSA-N 0 0 382.464 3.162 40 0 GGABRN COc1ccccc1CC(=O)C[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C ZINC000020111881 1399342750 /nfs/dbraw/zinc/34/27/50/1399342750.db2.gz NTZXVTSTIPJQBD-QGZVFWFLSA-N 0 0 383.444 3.163 40 0 biogenic GGABRN Cc1ccccc1C(=O)c1c2c(sc1NC(=O)CN1CCOCC1)CCC2 ZINC000020120903 1399342806 /nfs/dbraw/zinc/34/28/06/1399342806.db2.gz QSHBIMOUTJSHIG-UHFFFAOYSA-N 0 0 384.501 3.047 40 0 GGABRN CC(C)c1ccc(S(=O)(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000020553694 1399348425 /nfs/dbraw/zinc/34/84/25/1399348425.db2.gz OHEYWSCNJCSVPR-GOSISDBHSA-N 0 0 391.514 3.316 40 0 GGABRN NS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 ZINC000021047099 1399361633 /nfs/dbraw/zinc/36/16/33/1399361633.db2.gz KQQDISDLTURQRQ-UHFFFAOYSA-N 0 0 388.445 3.018 40 0 GGABRN Cc1noc(C)c1CSc1ccccc1C(=O)NCCNC(=O)C(C)C ZINC000021194080 1399368821 /nfs/dbraw/zinc/36/88/21/1399368821.db2.gz KCRDSNQUAYXGLA-UHFFFAOYSA-N 0 0 375.494 3.086 40 0 GGABRN COc1ccc(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000021532806 1399387591 /nfs/dbraw/zinc/38/75/91/1399387591.db2.gz HBLRIMYYOMYYHV-UHFFFAOYSA-N 0 0 379.382 3.462 40 0 GGABRN CCCCCC[C@]1(C)NC(=O)N(C[C@H](O)COCc2ccccc2Cl)C1=O ZINC000021559048 1399390005 /nfs/dbraw/zinc/39/00/05/1399390005.db2.gz RCTRDJXNXVMSTK-JXFKEZNVSA-N 0 0 396.915 3.498 40 0 GGABRN C[C@H](C(=O)NCc1ccccc1Cl)N1CCN(Cc2ccccc2F)CC1 ZINC000021671825 1399399433 /nfs/dbraw/zinc/39/94/33/1399399433.db2.gz YLDQHRMUGGFWQP-MRXNPFEDSA-N 0 0 389.902 3.302 40 0 GGABRN C[C@@H](C(=O)NCc1ccccc1Cl)N1CCN(Cc2ccccc2F)CC1 ZINC000021671829 1399399664 /nfs/dbraw/zinc/39/96/64/1399399664.db2.gz YLDQHRMUGGFWQP-INIZCTEOSA-N 0 0 389.902 3.302 40 0 GGABRN Cc1c2cccc(F)c2oc1C(=O)N1C[C@H](C(=O)N(C)C)Oc2ccccc21 ZINC000021677665 1399400065 /nfs/dbraw/zinc/40/00/65/1399400065.db2.gz RQKASWILEGRJQI-QGZVFWFLSA-N 0 0 382.391 3.376 40 0 GGABRN C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N(C)Cc1ccc2c(c1)OCCO2 ZINC000022011088 1399430568 /nfs/dbraw/zinc/43/05/68/1399430568.db2.gz JKDGDUCYSPUOQS-AWEZNQCLSA-N 0 0 392.463 3.162 40 0 GGABRN CCOC(=O)[C@H]1CCCN(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)C1 ZINC000022010416 1399430918 /nfs/dbraw/zinc/43/09/18/1399430918.db2.gz IFVNARBNBXCBGZ-INIZCTEOSA-N 0 0 387.505 3.332 40 0 GGABRN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCc1ccc(OC(F)F)cc1 ZINC000022068388 1399434872 /nfs/dbraw/zinc/43/48/72/1399434872.db2.gz MYQBBUBEBGBVAF-KRWDZBQOSA-N 0 0 394.393 3.498 40 0 GGABRN COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)c1C ZINC000022097366 1399436757 /nfs/dbraw/zinc/43/67/57/1399436757.db2.gz VWVUCKBIILBRDT-VIFPVBQESA-N 0 0 398.337 3.019 40 0 GGABRN COc1ccc(CN2CCN(C(=O)CCOc3ccc(C)cc3)CC2)cc1OC ZINC000022239974 1399446835 /nfs/dbraw/zinc/44/68/35/1399446835.db2.gz RQAXPOCPFFXBPO-UHFFFAOYSA-N 0 0 398.503 3.126 40 0 GGABRN CCCCNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022352203 1399455662 /nfs/dbraw/zinc/45/56/62/1399455662.db2.gz RPBYLJLISDJGAT-UHFFFAOYSA-N 0 0 392.496 3.241 40 0 GGABRN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O ZINC000022533979 1399472670 /nfs/dbraw/zinc/47/26/70/1399472670.db2.gz VFXJNFDZLNJBBX-DEOSSOPVSA-N 0 0 388.467 3.314 40 0 GGABRN Cc1ccc2c(c1)C(=O)N(CCC(=O)Nc1ccccc1N1CCCC1)C2=O ZINC000022579568 1399479265 /nfs/dbraw/zinc/47/92/65/1399479265.db2.gz TYTWVLPHRRAUNG-UHFFFAOYSA-N 0 0 377.444 3.220 40 0 GGABRN CCS(=O)(=O)N1c2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3)cc2C[C@H]1C ZINC000022606167 1399482264 /nfs/dbraw/zinc/48/22/64/1399482264.db2.gz XYQPIPHYYJLXMC-KGLIPLIRSA-N 0 0 390.480 3.417 40 0 GGABRN COc1cccc(NC(=O)[C@@H](C)N2c3cccc4cccc(c34)S2(=O)=O)c1 ZINC000024034139 1399597427 /nfs/dbraw/zinc/59/74/27/1399597427.db2.gz MLKIEUDDXDPNLJ-CYBMUJFWSA-N 0 0 382.441 3.384 40 0 GGABRN COC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3C)n2C)c1 ZINC000024838083 1399678028 /nfs/dbraw/zinc/67/80/28/1399678028.db2.gz DTQIIRSSCMSKPT-UHFFFAOYSA-N 0 0 396.472 3.308 40 0 GGABRN COc1ccc(-c2cc(-c3cccs3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000026503537 1399895641 /nfs/dbraw/zinc/89/56/41/1399895641.db2.gz RVWIUTNQVNEGQG-UHFFFAOYSA-N 0 0 379.441 3.036 40 0 GGABRN CCOc1c(Cl)cc(CNC(=O)c2ccc3c(c2)nnn3CC)cc1OC ZINC000055715659 1407065074 /nfs/dbraw/zinc/06/50/74/1407065074.db2.gz UCKAZKMJCQMPGS-UHFFFAOYSA-N 0 0 388.855 3.442 40 0 GGABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000027389792 1400031584 /nfs/dbraw/zinc/03/15/84/1400031584.db2.gz ABTMFPPUHTXCHF-JKSUJKDBSA-N 0 0 397.475 3.299 40 0 GGABRN Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccccc3C)CC2)nc(C(C)C)n1 ZINC000027545389 1400053712 /nfs/dbraw/zinc/05/37/12/1400053712.db2.gz MMVZKHUVTBAQDG-SFHVURJKSA-N 0 0 381.524 3.366 40 0 GGABRN CC(=O)c1c(C)cc(C)c(CN2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)c1C ZINC000027556363 1400055280 /nfs/dbraw/zinc/05/52/80/1400055280.db2.gz CGDNZVFSNGSVSM-CQSZACIVSA-N 0 0 386.517 3.413 40 0 GGABRN COc1ccc(Cl)cc1NC[C@H](O)COc1ccc(C(C)=O)cc1OC ZINC000027588696 1400062990 /nfs/dbraw/zinc/06/29/90/1400062990.db2.gz OSEGKGBEDXYLAW-HNNXBMFYSA-N 0 0 379.840 3.412 40 0 GGABRN CC(=O)/N=c1\sc(C)c(-c2ccc(C)cc2C)n1CCCN1CCOCC1 ZINC000027752501 1400087158 /nfs/dbraw/zinc/08/71/58/1400087158.db2.gz FOWDHFWNFWPQKU-DQRAZIAOSA-N 0 0 387.549 3.311 40 0 GGABRN O=C(Nc1nn(Cc2ccc(F)cc2)cc1Br)c1ccccn1 ZINC000027917004 1400105648 /nfs/dbraw/zinc/10/56/48/1400105648.db2.gz WKFCPCWIYHCYJP-UHFFFAOYSA-N 0 0 375.201 3.480 40 0 GGABRN CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000027951065 1400109978 /nfs/dbraw/zinc/10/99/78/1400109978.db2.gz DJTAMNGZAYRLHA-CYBMUJFWSA-N 0 0 385.851 3.081 40 0 GGABRN Cc1cc(C)nc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)n1 ZINC000027970038 1400112451 /nfs/dbraw/zinc/11/24/51/1400112451.db2.gz OKVMQVKGVXLMOS-UHFFFAOYSA-N 0 0 386.253 3.353 40 0 GGABRN O=C(NCc1ccco1)c1ccn(COc2ccc(Br)cc2)n1 ZINC000027972917 1400113435 /nfs/dbraw/zinc/11/34/35/1400113435.db2.gz PICUGXANAZBMTD-UHFFFAOYSA-N 0 0 376.210 3.205 40 0 GGABRN O=C(NCc1ccccn1)c1ccn(COc2ccc(Br)cc2)n1 ZINC000027972946 1400113493 /nfs/dbraw/zinc/11/34/93/1400113493.db2.gz DRUOMNLYUZILCN-UHFFFAOYSA-N 0 0 387.237 3.007 40 0 GGABRN Cc1ccc(-c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)c3ccccc3n2)s1 ZINC000027976673 1400113973 /nfs/dbraw/zinc/11/39/73/1400113973.db2.gz TZTHKEMFEXTDJZ-ZDUSSCGKSA-N 0 0 386.498 3.189 40 0 GGABRN C[C@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)n1ccc(C(F)(F)F)n1 ZINC000027974012 1400114091 /nfs/dbraw/zinc/11/40/91/1400114091.db2.gz NFYZOUWOYZUCPS-GFCCVEGCSA-N 0 0 386.805 3.465 40 0 GGABRN CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000027983890 1400115664 /nfs/dbraw/zinc/11/56/64/1400115664.db2.gz XEWQQVONNDMVRU-HNNXBMFYSA-N 0 0 391.489 3.073 40 0 GGABRN Cc1nn(-c2ccccc2C)c(C)c1CC(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000028049027 1400123008 /nfs/dbraw/zinc/12/30/08/1400123008.db2.gz CBTFPZDCFHBEJJ-UHFFFAOYSA-N 0 0 390.443 3.424 40 0 GGABRN COc1ccc(CN2C(=S)N=NC2c2cccnc2)cc1Br ZINC000028051307 1400124067 /nfs/dbraw/zinc/12/40/67/1400124067.db2.gz AVCGJNAEBVSLGB-UHFFFAOYSA-N 0 0 377.267 3.448 40 0 GGABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C)c2)c(C)c1 ZINC000028207642 1400140013 /nfs/dbraw/zinc/14/00/13/1400140013.db2.gz GXPODSTZHWOMSB-UHFFFAOYSA-N 0 0 390.505 3.351 40 0 GGABRN CCCNC(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000028208635 1400140298 /nfs/dbraw/zinc/14/02/98/1400140298.db2.gz VSPPGETYDKXWQX-UHFFFAOYSA-N 0 0 386.517 3.287 40 0 GGABRN Cc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2C)c(C)c1 ZINC000028207553 1400140328 /nfs/dbraw/zinc/14/03/28/1400140328.db2.gz GYRKFEZCWPOWBT-UHFFFAOYSA-N 0 0 390.505 3.188 40 0 GGABRN CCn1cc(C(=O)Nc2nn(Cc3cccc(C)c3)cc2Br)cn1 ZINC000028229209 1400140730 /nfs/dbraw/zinc/14/07/30/1400140730.db2.gz HWBBSCOZJNMEDB-UHFFFAOYSA-N 0 0 388.269 3.471 40 0 GGABRN O=C(Nc1nn(Cc2ccc(Cl)cc2)cc1Br)[C@@H]1CCCO1 ZINC000028225266 1400140834 /nfs/dbraw/zinc/14/08/34/1400140834.db2.gz MVEVHXXIWSHZBI-ZDUSSCGKSA-N 0 0 384.661 3.465 40 0 GGABRN COc1ccc2nc(NC(=O)[C@H](C)n3cc(Br)cn3)sc2c1 ZINC000028224505 1400141086 /nfs/dbraw/zinc/14/10/86/1400141086.db2.gz MIDPEGDJSOMUMQ-QMMMGPOBSA-N 0 0 381.255 3.464 40 0 GGABRN CCn1cc(Br)c(C(=O)Nc2ccn(Cc3ccccc3C)n2)n1 ZINC000028237947 1400141437 /nfs/dbraw/zinc/14/14/37/1400141437.db2.gz HHDDFPRGSKTVLK-UHFFFAOYSA-N 0 0 388.269 3.471 40 0 GGABRN CCn1cc(CNC(=O)c2ccn(COc3cccc(Cl)c3Cl)n2)cn1 ZINC000028237745 1400141482 /nfs/dbraw/zinc/14/14/82/1400141482.db2.gz QKWYSDBTRPSNAY-UHFFFAOYSA-N 0 0 394.262 3.373 40 0 GGABRN CCn1ncc(Br)c1C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000028237448 1400141523 /nfs/dbraw/zinc/14/15/23/1400141523.db2.gz IWYIMESHANHUSN-SNVBAGLBSA-N 0 0 382.258 3.174 40 0 GGABRN CCn1cc(NC(=O)c2ccc(COc3ccccc3Cl)o2)c(C(N)=O)n1 ZINC000028239090 1400141606 /nfs/dbraw/zinc/14/16/06/1400141606.db2.gz OKXOJMDINDBACB-UHFFFAOYSA-N 0 0 388.811 3.080 40 0 GGABRN Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(Cc4cccc(F)c4)CC3)o2)n1 ZINC000028236671 1400141740 /nfs/dbraw/zinc/14/17/40/1400141740.db2.gz FAGFWLVAOXVKBD-UHFFFAOYSA-N 0 0 396.466 3.238 40 0 GGABRN Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)Nc1ccncc1 ZINC000028235935 1400141843 /nfs/dbraw/zinc/14/18/43/1400141843.db2.gz WDOIXKHBCMIHDO-UHFFFAOYSA-N 0 0 377.164 3.397 40 0 GGABRN COc1ccc([C@H](C)NC(=O)c2ccn(Cn3nc(C)c(Cl)c3C)n2)cc1 ZINC000028237842 1400141859 /nfs/dbraw/zinc/14/18/59/1400141859.db2.gz XEBCYAAAFGOTMM-LBPRGKRZSA-N 0 0 387.871 3.355 40 0 GGABRN COc1ccc([C@@H](C)NC(=O)c2ccn(Cn3nc(C)c(Cl)c3C)n2)cc1 ZINC000028237835 1400141867 /nfs/dbraw/zinc/14/18/67/1400141867.db2.gz XEBCYAAAFGOTMM-GFCCVEGCSA-N 0 0 387.871 3.355 40 0 GGABRN CCOC(=O)c1c(C)c(C)sc1NC(=O)COc1ccc(C=O)cc1OC ZINC000028451353 1400166819 /nfs/dbraw/zinc/16/68/19/1400166819.db2.gz NJUJBOCBUSQFFS-UHFFFAOYSA-N 0 0 391.445 3.380 40 0 GGABRN Nn1c(=O)c(Nc2cccc(C(F)(F)F)c2)nnc1SCc1ccccc1 ZINC000028535763 1400175382 /nfs/dbraw/zinc/17/53/82/1400175382.db2.gz RZGHBNONVSVVRG-UHFFFAOYSA-N 0 0 393.394 3.407 40 0 GGABRN COc1ccc(CSc2nnc(Nc3ccccc3)c(=O)n2C)cc1OC ZINC000028537949 1400175455 /nfs/dbraw/zinc/17/54/55/1400175455.db2.gz KICQADNEHRDBCH-UHFFFAOYSA-N 0 0 384.461 3.228 40 0 GGABRN CN(C)c1cccc(C(=O)N2CCN(CCOc3ccccc3Cl)CC2)c1 ZINC000028636600 1400178951 /nfs/dbraw/zinc/17/89/51/1400178951.db2.gz ASUWEXRIZFVTEG-UHFFFAOYSA-N 0 0 387.911 3.243 40 0 GGABRN COc1ccc(CNC(=O)CN2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000028725765 1400189611 /nfs/dbraw/zinc/18/96/11/1400189611.db2.gz YVNXJYHNFPDZSM-HXUWFJFHSA-N 0 0 384.476 3.166 40 0 GGABRN COc1ccc(NC(=O)[C@@H](C)Nc2cccc(N3CCCC3=O)c2)cc1OC ZINC000028912200 1400210262 /nfs/dbraw/zinc/21/02/62/1400210262.db2.gz AKLAUBNMKGJSLI-CQSZACIVSA-N 0 0 383.448 3.270 40 0 GGABRN CN(CCOc1ccc(F)cc1)CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000029120814 1400244956 /nfs/dbraw/zinc/24/49/56/1400244956.db2.gz BAKHTYDNVBUDSQ-UHFFFAOYSA-N 0 0 382.382 3.054 40 0 GGABRN COc1cc(OC)cc([C@@H](NC(=O)Cc2ccc(C)cc2)c2nccn2C)c1 ZINC000029131267 1400245619 /nfs/dbraw/zinc/24/56/19/1400245619.db2.gz IXLPUBNMDKRDNY-OAQYLSRUSA-N 0 0 379.460 3.194 40 0 GGABRN COc1cc(OC)cc([C@H](NC(=O)Cc2ccc(C)cc2)c2nccn2C)c1 ZINC000029131269 1400245653 /nfs/dbraw/zinc/24/56/53/1400245653.db2.gz IXLPUBNMDKRDNY-NRFANRHFSA-N 0 0 379.460 3.194 40 0 GGABRN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cccc(OC)c1OC)CC3 ZINC000029158029 1400250532 /nfs/dbraw/zinc/25/05/32/1400250532.db2.gz KWLQTKNPMZRSEW-UHFFFAOYSA-N 0 0 394.427 3.170 40 0 GGABRN COc1ccc(CCNC(=O)N[C@H](c2nccn2C)c2ccccc2F)cc1 ZINC000029319253 1400282327 /nfs/dbraw/zinc/28/23/27/1400282327.db2.gz POERDEPKAKVPOT-IBGZPJMESA-N 0 0 382.439 3.199 40 0 GGABRN O[C@@H](CO[C@H]1CCCc2ccccc21)CN1CCN(c2ccccc2F)CC1 ZINC000029630665 1400325982 /nfs/dbraw/zinc/32/59/82/1400325982.db2.gz UZZHWPINYOTGTA-XXBNENTESA-N 0 0 384.495 3.403 40 0 GGABRN O[C@H](CO[C@H]1CCCc2ccccc21)CN1CCN(c2ccccc2F)CC1 ZINC000029630667 1400326014 /nfs/dbraw/zinc/32/60/14/1400326014.db2.gz UZZHWPINYOTGTA-CVDCTZTESA-N 0 0 384.495 3.403 40 0 GGABRN COc1cccc(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000029805064 1400354937 /nfs/dbraw/zinc/35/49/37/1400354937.db2.gz BOZJSDQXMJMDEV-FQEVSTJZSA-N 0 0 388.895 3.081 40 0 GGABRN CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)N(C)c2cccc(C)c2)c1=O ZINC000044840582 1404009994 /nfs/dbraw/zinc/00/99/94/1404009994.db2.gz KZDLCDDSEBPPMA-INIZCTEOSA-N 0 0 379.460 3.106 40 0 GGABRN CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 ZINC000046544505 1404470935 /nfs/dbraw/zinc/47/09/35/1404470935.db2.gz KYZHHWOYLIGICD-INIZCTEOSA-N 0 0 396.443 3.254 40 0 GGABRN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC000046696075 1404555974 /nfs/dbraw/zinc/55/59/74/1404555974.db2.gz SWFVTKXTDTZDJX-MJGOQNOKSA-N 0 0 386.517 3.273 40 0 GGABRN CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000046696732 1404556030 /nfs/dbraw/zinc/55/60/30/1404556030.db2.gz WKPVEPNMECXORS-CQSZACIVSA-N 0 0 399.878 3.470 40 0 GGABRN Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000047812105 1404958506 /nfs/dbraw/zinc/95/85/06/1404958506.db2.gz PBGAKIFHQDMHOD-CQSZACIVSA-N 0 0 386.835 3.183 40 0 GGABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(F)cccc3F)C2)cc1 ZINC000052933203 1406234883 /nfs/dbraw/zinc/23/48/83/1406234883.db2.gz OCNZRBMWSDNUFV-CQSZACIVSA-N 0 0 394.443 3.313 40 0 GGABRN CC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)[C@@H]1COc3ccccc3O1)C2 ZINC000056907392 1407472824 /nfs/dbraw/zinc/47/28/24/1407472824.db2.gz DVGPUSVWRNLDHQ-IBGZPJMESA-N 0 0 392.459 3.111 40 0 GGABRN CS(=O)(=O)c1ccc(NC(=O)C2(c3cc(-c4ccccc4)on3)CC2)cc1 ZINC000056919777 1407473488 /nfs/dbraw/zinc/47/34/88/1407473488.db2.gz KYSYNHLGJJCWRE-UHFFFAOYSA-N 0 0 382.441 3.415 40 0 GGABRN COc1ccc(CN(C)C(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1OC ZINC000057380635 1407602349 /nfs/dbraw/zinc/60/23/49/1407602349.db2.gz GTKMXMJADIQUPV-SFHVURJKSA-N 0 0 386.473 3.165 40 0 GGABRN CCOc1ccc(NC(=O)CSC2=NN(C)CC(Oc3ccccc3)=N2)cc1 ZINC000057401745 1407608414 /nfs/dbraw/zinc/60/84/14/1407608414.db2.gz XIUSWVLERDHSHX-UHFFFAOYSA-N 0 0 398.488 3.451 40 0 GGABRN Cc1ccc(CNC(=O)CSC2=NN(C)CC(Oc3ccccc3)=N2)cc1 ZINC000057401750 1407608738 /nfs/dbraw/zinc/60/87/38/1407608738.db2.gz HEVBMQZABHYYCJ-UHFFFAOYSA-N 0 0 382.489 3.038 40 0 GGABRN COc1cccc(N2CCN([C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000057406524 1407609448 /nfs/dbraw/zinc/60/94/48/1407609448.db2.gz QNCIJLUKILAEEK-OQOKOFKUSA-N 0 0 397.563 3.291 40 0 GGABRN Cc1c(NC(=O)[C@@H](C)N(C)Cc2ccccc2F)c(=O)n(-c2ccccc2)n1C ZINC000057530605 1407643929 /nfs/dbraw/zinc/64/39/29/1407643929.db2.gz WNLVKPRNNYMSRU-MRXNPFEDSA-N 0 0 396.466 3.083 40 0 GGABRN CCN(Cc1ccccc1)C(=O)CN1C(=O)[C@H](C)N(c2ccc(F)cc2)C1=O ZINC000057584668 1407658306 /nfs/dbraw/zinc/65/83/06/1407658306.db2.gz DLJZFEWEVPSYQY-HNNXBMFYSA-N 0 0 383.423 3.032 40 0 GGABRN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCCC[C@@H]1C ZINC000057585409 1407658980 /nfs/dbraw/zinc/65/89/80/1407658980.db2.gz JGXHHZBWMJLKSE-HNNXBMFYSA-N 0 0 378.542 3.071 40 0 GGABRN COc1ccc(OC)c([C@@H](C)NC(=O)CN2C(=O)CSc3ccccc32)c1 ZINC000057834048 1407733171 /nfs/dbraw/zinc/73/31/71/1407733171.db2.gz WFIFRRWENVWUHC-CYBMUJFWSA-N 0 0 386.473 3.020 40 0 GGABRN C[C@@H](CN(C)c1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000057996459 1407767765 /nfs/dbraw/zinc/76/77/65/1407767765.db2.gz FYVHGQYRDOBSRO-JKSUJKDBSA-N 0 0 385.895 3.334 40 0 GGABRN O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1cc(F)ccc1F ZINC000058069082 1407779328 /nfs/dbraw/zinc/77/93/28/1407779328.db2.gz HWWOLLSBXAHMRI-UHFFFAOYSA-N 0 0 379.451 3.018 40 0 GGABRN CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000058141267 1407788737 /nfs/dbraw/zinc/78/87/37/1407788737.db2.gz MNMWFEBYIKIMIM-ZDUSSCGKSA-N 0 0 385.851 3.081 40 0 GGABRN COc1cc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c(OC)cc1Cl ZINC000058141178 1407789132 /nfs/dbraw/zinc/78/91/32/1407789132.db2.gz KGUCOZOSUDJVSQ-UHFFFAOYSA-N 0 0 398.868 3.005 40 0 GGABRN CCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000058148767 1407789816 /nfs/dbraw/zinc/78/98/16/1407789816.db2.gz ODMJVLOBMFMLRT-UHFFFAOYSA-N 0 0 378.451 3.456 40 0 GGABRN CCc1ccccc1OCC(=O)Nc1ccc(NS(=O)(=O)CC)c(C)c1 ZINC000058157255 1407791672 /nfs/dbraw/zinc/79/16/72/1407791672.db2.gz ANTUTGFYFOGSRP-UHFFFAOYSA-N 0 0 376.478 3.337 40 0 GGABRN O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)[C@@H]1Cc2ccccc2O1 ZINC000058366425 1407819016 /nfs/dbraw/zinc/81/90/16/1407819016.db2.gz AHAPFJOIFXVBCL-NRFANRHFSA-N 0 0 379.456 3.390 40 0 GGABRN C[C@H]1CN(Cc2cccc(CNC(=O)Cc3c[nH]c4ccccc34)c2)CCO1 ZINC000058440467 1407828075 /nfs/dbraw/zinc/82/80/75/1407828075.db2.gz NYBBTFNNCINDBC-KRWDZBQOSA-N 0 0 377.488 3.248 40 0 GGABRN CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1nccc(C(F)(F)F)n1 ZINC000059577495 1407923170 /nfs/dbraw/zinc/92/31/70/1407923170.db2.gz XYJCELWTINJPGY-LLVKDONJSA-N 0 0 395.303 3.390 40 0 GGABRN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000069564670 1409652972 /nfs/dbraw/zinc/65/29/72/1409652972.db2.gz DFBFERXVUBTWJC-KRWDZBQOSA-N 0 0 390.487 3.266 40 0 GGABRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)cc1Cl ZINC000070655996 1409747616 /nfs/dbraw/zinc/74/76/16/1409747616.db2.gz BLDSJEWICYVGLG-OAHLLOKOSA-N 0 0 396.882 3.479 40 0 GGABRN Cc1cc(C)n(-c2cc(N3CCC[C@H](C(=O)Nc4ccccc4C)C3)ncn2)n1 ZINC000070656065 1409747631 /nfs/dbraw/zinc/74/76/31/1409747631.db2.gz QQJNPRMSMRMYIV-SFHVURJKSA-N 0 0 390.491 3.443 40 0 GGABRN Cc1c(C(=O)Nc2c(C)cccc2C)nnn1CC(=O)Nc1cc(F)ccc1F ZINC000071327082 1409823407 /nfs/dbraw/zinc/82/34/07/1409823407.db2.gz UDPVGCHRXDOQSD-UHFFFAOYSA-N 0 0 399.401 3.373 40 0 GGABRN CC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)Nc1cc(F)ccc1F ZINC000071769041 1409823775 /nfs/dbraw/zinc/82/37/75/1409823775.db2.gz VGRVAILHKDVBMG-UHFFFAOYSA-N 0 0 375.350 3.110 40 0 GGABRN Cc1ccccc1CNC(=O)c1cn(-c2cc(N3CCCC[C@@H]3C)ncn2)cn1 ZINC000071772440 1409823972 /nfs/dbraw/zinc/82/39/72/1409823972.db2.gz VKJLHSBYLKVIJE-KRWDZBQOSA-N 0 0 390.491 3.280 40 0 GGABRN CC(=O)c1ccc(N2CCN(C(=O)c3c[nH]nc3-c3cccs3)CC2)cc1 ZINC000072328771 1409849937 /nfs/dbraw/zinc/84/99/37/1409849937.db2.gz XIHWUPDDKSGMKA-UHFFFAOYSA-N 0 0 380.473 3.303 40 0 GGABRN Cc1nnc(C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)CC2)s1 ZINC000077099437 1409892978 /nfs/dbraw/zinc/89/29/78/1409892978.db2.gz RZMJAKRTBMFSDN-KRWDZBQOSA-N 0 0 398.532 3.222 40 0 GGABRN Cc1csc(C(=O)N2CCN(CCn3ccnc3-c3ccccc3)CC2)c1 ZINC000077159308 1409893776 /nfs/dbraw/zinc/89/37/76/1409893776.db2.gz GELSBEDIQUMPMB-UHFFFAOYSA-N 0 0 380.517 3.378 40 0 GGABRN CCCCOc1ccc(C(=O)N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)cc1 ZINC000077148482 1409893827 /nfs/dbraw/zinc/89/38/27/1409893827.db2.gz ISIYUOBZQFGRRZ-UHFFFAOYSA-N 0 0 398.507 3.115 40 0 GGABRN CN(C)C(=O)Sc1ccc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1 ZINC000079054740 1409952789 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3.334 40 0 GGABRN O=C1CC2(CCCC2)CC(=O)N1CCCCN1C(=O)CC2(CCCC2)CC1=O ZINC000096031274 1410322724 /nfs/dbraw/zinc/32/27/24/1410322724.db2.gz VBBOKKNQJOSKIX-UHFFFAOYSA-N 0 0 388.508 3.185 40 0 GGABRN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCC(Oc2ncccc2Cl)CC1 ZINC000096096876 1410323149 /nfs/dbraw/zinc/32/31/49/1410323149.db2.gz SNSIMCLKXRRYPD-SCLBCKFNSA-N 0 0 388.851 3.333 40 0 GGABRN COc1ccc(-c2nn(CCCC(=O)N3CCCCCC3)c(=O)cc2OC)cc1 ZINC000096100931 1410323498 /nfs/dbraw/zinc/32/34/98/1410323498.db2.gz HWKFNFLTCZSPMU-UHFFFAOYSA-N 0 0 399.491 3.110 40 0 GGABRN COc1ccc(S(=O)(=O)C2CCN(C(=O)CSC3CCCC3)CC2)cc1 ZINC000096104174 1410323531 /nfs/dbraw/zinc/32/35/31/1410323531.db2.gz NDDVDSPOSPDHRO-UHFFFAOYSA-N 0 0 397.562 3.136 40 0 GGABRN CCCc1nnc(NC(=O)c2nnn(Cc3ccccc3Cl)c2OC)s1 ZINC000096183543 1410325202 /nfs/dbraw/zinc/32/52/02/1410325202.db2.gz FXZVORKEJKBJEZ-UHFFFAOYSA-N 0 0 392.872 3.045 40 0 GGABRN CC(=O)O[C@H](c1nc2ccccc2[nH]1)[C@H](OC(C)=O)c1nc2ccccc2[nH]1 ZINC000096581067 1410333724 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COc1cccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)c1 ZINC000219308404 222595040 /nfs/dbraw/zinc/59/50/40/222595040.db2.gz XPDPTIYYZMRIOT-CQSZACIVSA-N 0 0 397.431 3.180 40 0 GGABRN Cc1c(Cl)cccc1NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000219433174 222596127 /nfs/dbraw/zinc/59/61/27/222596127.db2.gz FXXFSDFNKFQDSM-UHFFFAOYSA-N 0 0 392.864 3.212 40 0 GGABRN COc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(C)cc3C)n2)c1 ZINC000219536664 222596372 /nfs/dbraw/zinc/59/63/72/222596372.db2.gz KYQMHWWWSAPSBA-HNNXBMFYSA-N 0 0 381.432 3.446 40 0 GGABRN CCOc1ccc(C(=O)NCc2nc(-c3ccc(OC)cc3OC)no2)cc1 ZINC000219958711 222597270 /nfs/dbraw/zinc/59/72/70/222597270.db2.gz DREJGEBOHKPYSS-UHFFFAOYSA-N 0 0 383.404 3.083 40 0 GGABRN Cc1cccc(CNC(=O)COc2ccc(I)cc2)c1 ZINC000219834590 222597345 /nfs/dbraw/zinc/59/73/45/222597345.db2.gz CBKRGBFJIABAFC-UHFFFAOYSA-N 0 0 381.213 3.295 40 0 GGABRN C[C@@H](CCc1ccccc1)NC(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000219719207 222598485 /nfs/dbraw/zinc/59/84/85/222598485.db2.gz PNWUVLBYPOIMGB-SFHVURJKSA-N 0 0 388.533 3.225 40 0 GGABRN COc1cccc(N([C@@H](C)C(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000220156701 222599237 /nfs/dbraw/zinc/59/92/37/222599237.db2.gz TXTORXACZIQGGT-LBPRGKRZSA-N 0 0 382.869 3.142 40 0 GGABRN Cc1cc(C)c(NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)c(C)c1 ZINC000220086246 222599296 /nfs/dbraw/zinc/59/92/96/222599296.db2.gz GWPACLAEWKEINU-UHFFFAOYSA-N 0 0 382.432 3.295 40 0 GGABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1C ZINC000220097637 222599513 /nfs/dbraw/zinc/59/95/13/222599513.db2.gz KVZPWIGOHWASRD-AWEZNQCLSA-N 0 0 396.459 3.225 40 0 GGABRN Cc1ccc(CCCNC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000220141950 222599618 /nfs/dbraw/zinc/59/96/18/222599618.db2.gz JOSRQHGOGQMAGV-GOSISDBHSA-N 0 0 388.533 3.207 40 0 GGABRN CCc1ccc(N([C@H](C)C(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)cc1 ZINC000220276062 222600201 /nfs/dbraw/zinc/60/02/01/222600201.db2.gz JDFJBQMWQRGSAL-CQSZACIVSA-N 0 0 388.489 3.245 40 0 GGABRN CCOc1cccc(NC(=O)[C@H](C)N(c2ccc(CC)cc2)S(C)(=O)=O)c1 ZINC000220285072 222600496 /nfs/dbraw/zinc/60/04/96/222600496.db2.gz PIKAHKPMRVRMNP-HNNXBMFYSA-N 0 0 390.505 3.441 40 0 GGABRN COc1cccc(N([C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 ZINC000220164308 222600853 /nfs/dbraw/zinc/60/08/53/222600853.db2.gz DOADXVQOASTRLG-CYBMUJFWSA-N 0 0 396.896 3.450 40 0 GGABRN COc1ccc(C)cc1N([C@H](C)C(=O)N[C@@H](C)c1ccccc1)S(C)(=O)=O ZINC000220325014 222600939 /nfs/dbraw/zinc/60/09/39/222600939.db2.gz CMSKMFOKODYWQZ-JKSUJKDBSA-N 0 0 390.505 3.036 40 0 GGABRN Cc1ccc(N([C@H](C)C(=O)NCc2ccccc2C)S(C)(=O)=O)cc1Cl ZINC000220357599 222601108 /nfs/dbraw/zinc/60/11/08/222601108.db2.gz RJATYYGXLGOQIP-OAHLLOKOSA-N 0 0 394.924 3.428 40 0 GGABRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1C ZINC000220489376 222601675 /nfs/dbraw/zinc/60/16/75/222601675.db2.gz KFFQNAYLPAOBEZ-JKSUJKDBSA-N 0 0 392.496 3.474 40 0 GGABRN CCc1ccc(NC(=O)[C@H](CC)N(c2cccc(OC)c2)S(C)(=O)=O)cc1 ZINC000220614072 222601957 /nfs/dbraw/zinc/60/19/57/222601957.db2.gz LJOYZMYDDXRNJU-IBGZPJMESA-N 0 0 390.505 3.441 40 0 GGABRN CC[C@H](C(=O)NC(C(C)C)C(C)C)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220616417 222601982 /nfs/dbraw/zinc/60/19/82/222601982.db2.gz AUEZPFZJPYKOOS-QGZVFWFLSA-N 0 0 384.542 3.037 40 0 GGABRN CC[C@@H](C(=O)NCc1ccccc1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220564214 222602013 /nfs/dbraw/zinc/60/20/13/222602013.db2.gz TZHCZRBAPACTKE-FQEVSTJZSA-N 0 0 388.533 3.473 40 0 GGABRN CC[C@H](C(=O)Nc1cccc(OC)c1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220495737 222602036 /nfs/dbraw/zinc/60/20/36/222602036.db2.gz QZDFSXFLSJENAA-GOSISDBHSA-N 0 0 376.478 3.187 40 0 GGABRN Cc1ccc(CCCNC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 ZINC000220483733 222602305 /nfs/dbraw/zinc/60/23/05/222602305.db2.gz JVCOULYLRGWOJD-INIZCTEOSA-N 0 0 392.496 3.038 40 0 GGABRN CC[C@H](C(=O)Nc1cccc(C)c1C)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220613926 222602361 /nfs/dbraw/zinc/60/23/61/222602361.db2.gz VHQIOXIISUKSAL-LJQANCHMSA-N 0 0 390.505 3.495 40 0 GGABRN Cn1nc(-c2ccccc2)cc1C(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000220729093 222603510 /nfs/dbraw/zinc/60/35/10/222603510.db2.gz FVRXHXSIXPMKCH-HNNXBMFYSA-N 0 0 391.475 3.442 40 0 GGABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 ZINC000409198785 529374968 /nfs/dbraw/zinc/37/49/68/529374968.db2.gz FIHIJMMUSJGJIO-MRXNPFEDSA-N 0 0 390.505 3.398 40 0 GGABRN Cc1cc(C(=O)NCCCc2ccccc2Cl)ccc1N(C)S(C)(=O)=O ZINC000222479248 222607897 /nfs/dbraw/zinc/60/78/97/222607897.db2.gz XEOWNCZSMQHRLR-UHFFFAOYSA-N 0 0 394.924 3.407 40 0 GGABRN Cc1c(C(=O)NCCSC2CCCCC2)cccc1N(C)S(C)(=O)=O ZINC000222431644 222608131 /nfs/dbraw/zinc/60/81/31/222608131.db2.gz IBQUVPGMRABGSG-UHFFFAOYSA-N 0 0 384.567 3.187 40 0 GGABRN Cc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1N(C)S(C)(=O)=O ZINC000222458903 222608167 /nfs/dbraw/zinc/60/81/67/222608167.db2.gz BTHVOXHEUQFRRH-UHFFFAOYSA-N 0 0 394.924 3.407 40 0 GGABRN CCOc1cccc(CNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1 ZINC000222502812 222609209 /nfs/dbraw/zinc/60/92/09/222609209.db2.gz PMTZMVTZOZIMBR-UHFFFAOYSA-N 0 0 396.896 3.065 40 0 GGABRN COCCN(Cc1cc(C)n(C)c1C)C(=O)c1ccc2nc(Cl)n(C)c2c1 ZINC000222562158 222609412 /nfs/dbraw/zinc/60/94/12/222609412.db2.gz MKRJDXCDZSFOAK-UHFFFAOYSA-N 0 0 388.899 3.471 40 0 GGABRN COc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1OC ZINC000222509624 222609665 /nfs/dbraw/zinc/60/96/65/222609665.db2.gz NBGSVKVTSHNFJW-UHFFFAOYSA-N 0 0 398.868 3.005 40 0 GGABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1F ZINC000222582006 222610030 /nfs/dbraw/zinc/61/00/30/222610030.db2.gz MVIGTWIFACDXDV-ZDUSSCGKSA-N 0 0 378.831 3.021 40 0 GGABRN COc1ccccc1N(CCCC(=O)NCCC1=CCCCC1)S(C)(=O)=O ZINC000222580177 222610801 /nfs/dbraw/zinc/61/08/01/222610801.db2.gz MLRCPCUXDIIOHY-UHFFFAOYSA-N 0 0 394.537 3.248 40 0 GGABRN COc1ccc(OC[C@@H](C)NS(=O)(=O)c2cc(C)c(OC)cc2C)cc1 ZINC000222675658 222611475 /nfs/dbraw/zinc/61/14/75/222611475.db2.gz WVBMNJNIDMVISY-OAHLLOKOSA-N 0 0 379.478 3.066 40 0 GGABRN COCCCn1c(SCC(=O)Nc2cccc(C)n2)nnc1-c1ccco1 ZINC000004092611 230832213 /nfs/dbraw/zinc/83/22/13/230832213.db2.gz QMXKCUUIANQKMM-UHFFFAOYSA-N 0 0 387.465 3.009 40 0 GGABRN Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)Cn1nnc2ccccc2c1=O ZINC000008367183 230863154 /nfs/dbraw/zinc/86/31/54/230863154.db2.gz QKWPGONFHOUGPF-UHFFFAOYSA-N 0 0 392.503 3.065 40 0 GGABRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000008388245 230863983 /nfs/dbraw/zinc/86/39/83/230863983.db2.gz ISZMRJDYKXIGPK-UHFFFAOYSA-N 0 0 390.487 3.152 40 0 GGABRN O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(Br)cc1 ZINC000008470752 230864498 /nfs/dbraw/zinc/86/44/98/230864498.db2.gz FTFRPOWAAUFDLK-UHFFFAOYSA-N 0 0 389.249 3.174 40 0 GGABRN Cc1cc(Cl)ccc1N(CC(=O)NCCCc1ccccc1)S(C)(=O)=O ZINC000013612949 230884916 /nfs/dbraw/zinc/88/49/16/230884916.db2.gz WNRJJCPXIRWXJZ-UHFFFAOYSA-N 0 0 394.924 3.163 40 0 GGABRN O=C(Nc1ccc(C(=O)Nn2cnnc2)cc1)c1ccc(Cl)cc1Cl ZINC000014405699 230889799 /nfs/dbraw/zinc/88/97/99/230889799.db2.gz CKNVHKVPNILASJ-UHFFFAOYSA-N 0 0 376.203 3.221 40 0 GGABRN Cc1cc(Cl)ccc1N(CC(=O)N1c2ccccc2C[C@@H]1C)S(C)(=O)=O ZINC000010449784 230874307 /nfs/dbraw/zinc/87/43/07/230874307.db2.gz NPOPYMDKKCDQGB-AWEZNQCLSA-N 0 0 392.908 3.392 40 0 GGABRN Cc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022274992 230910028 /nfs/dbraw/zinc/91/00/28/230910028.db2.gz DAZWZFMZAXSYNQ-UHFFFAOYSA-N 0 0 380.897 3.368 40 0 GGABRN N=C1NC(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)S1 ZINC000015056592 230891854 /nfs/dbraw/zinc/89/18/54/230891854.db2.gz OLXVJQFZYQBOQC-DHDCSXOGSA-N 0 0 387.848 3.496 40 0 GGABRN O=C1CSC(=O)N1Cc1nn2c(nnc2-c2cccc(C(F)(F)F)c2)s1 ZINC000015057226 230892449 /nfs/dbraw/zinc/89/24/49/230892449.db2.gz IRSRPCMFVFEROQ-UHFFFAOYSA-N 0 0 399.379 3.067 40 0 GGABRN O=C(Cc1csc(N2CCCC2=O)n1)NCc1cccc(C(F)(F)F)c1 ZINC000019310243 230901458 /nfs/dbraw/zinc/90/14/58/230901458.db2.gz OCZKVVAVWLXEEI-UHFFFAOYSA-N 0 0 383.395 3.148 40 0 GGABRN Cc1ccc2nc(NC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)sc2c1 ZINC000024591415 230911967 /nfs/dbraw/zinc/91/19/67/230911967.db2.gz YAJXNJPSTZVOEB-UHFFFAOYSA-N 0 0 386.477 3.140 40 0 GGABRN Cc1cc(NC(=O)C2CCN(C(=O)Cc3c(C)[nH]c4ccccc43)CC2)no1 ZINC000024688945 230913371 /nfs/dbraw/zinc/91/33/71/230913371.db2.gz IJDFRYCTSITDPL-UHFFFAOYSA-N 0 0 380.448 3.193 40 0 GGABRN C[C@H](CNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1 ZINC000025450846 230913766 /nfs/dbraw/zinc/91/37/66/230913766.db2.gz YNTHWPJBFSZLOE-CQSZACIVSA-N 0 0 380.897 3.026 40 0 GGABRN Cc1cc(S(=O)(=O)NCc2ccccc2Cl)ccc1N1CCCC1=O ZINC000044846600 230932855 /nfs/dbraw/zinc/93/28/55/230932855.db2.gz PELYRPLCRVOVFC-UHFFFAOYSA-N 0 0 378.881 3.254 40 0 GGABRN C[C@H](C(=O)NCc1ccncc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000222763238 222614168 /nfs/dbraw/zinc/61/41/68/222614168.db2.gz YONLCFJMKJHARZ-LJQANCHMSA-N 0 0 387.483 3.358 40 0 GGABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(C)cc1 ZINC000222809707 222615301 /nfs/dbraw/zinc/61/53/01/222615301.db2.gz ZSBXTOXJVISGCJ-SFHVURJKSA-N 0 0 398.503 3.326 40 0 GGABRN Cn1c2ccc(S(=O)(=O)NCc3ccc4ccccc4c3)cc2sc1=O ZINC000222823980 222615424 /nfs/dbraw/zinc/61/54/24/222615424.db2.gz CXKVJWMSMCLEOV-UHFFFAOYSA-N 0 0 384.482 3.232 40 0 GGABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)C)cc1 ZINC000222813660 222616132 /nfs/dbraw/zinc/61/61/32/222616132.db2.gz WYWATMSFCBBZMN-KRWDZBQOSA-N 0 0 398.503 3.361 40 0 GGABRN CC[C@@H](NC(=O)COc1ccc(C)cc1C)c1ccc(S(C)(=O)=O)cc1 ZINC000222830220 222616197 /nfs/dbraw/zinc/61/61/97/222616197.db2.gz BVBGEFZJPPTTSS-GOSISDBHSA-N 0 0 375.490 3.353 40 0 GGABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc(C)cc1 ZINC000222874173 222616621 /nfs/dbraw/zinc/61/66/21/222616621.db2.gz BXXWARJBYQKFMY-GOSISDBHSA-N 0 0 384.545 3.434 40 0 GGABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1 ZINC000222849880 222616868 /nfs/dbraw/zinc/61/68/68/222616868.db2.gz ARFIRFYVIMDOQW-OAQYLSRUSA-N 0 0 398.503 3.406 40 0 GGABRN CCc1ccc([C@H](C)NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1 ZINC000222857466 222617119 /nfs/dbraw/zinc/61/71/19/222617119.db2.gz HWSJPWRKJRRODD-ZDUSSCGKSA-N 0 0 396.459 3.171 40 0 GGABRN Cc1cc(C)c(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)c(C)c1 ZINC000119964477 231025078 /nfs/dbraw/zinc/02/50/78/231025078.db2.gz JCORYVPWGRFKMN-UHFFFAOYSA-N 0 0 386.517 3.213 40 0 GGABRN O=C1CCCN1Cc1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000119963427 231025607 /nfs/dbraw/zinc/02/56/07/231025607.db2.gz GOBGGGQFCVYJDM-UHFFFAOYSA-N 0 0 394.496 3.441 40 0 GGABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1 ZINC000222899113 222618049 /nfs/dbraw/zinc/61/80/49/222618049.db2.gz MYPAZXYCZWKJHP-OAQYLSRUSA-N 0 0 382.504 3.440 40 0 GGABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1c(F)cccc1Cl ZINC000222918732 222618189 /nfs/dbraw/zinc/61/81/89/222618189.db2.gz DEWNGWBUHUWPEF-CQSZACIVSA-N 0 0 376.859 3.227 40 0 GGABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000222904143 222618311 /nfs/dbraw/zinc/61/83/11/222618311.db2.gz PLEMJHHZLVONCC-GOSISDBHSA-N 0 0 398.503 3.060 40 0 GGABRN O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000103247864 231013466 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220810014 /nfs/dbraw/zinc/81/00/14/220810014.db2.gz AYINBSINUMPUDE-QGZVFWFLSA-N 0 0 397.460 3.284 40 0 GGABRN COc1ccc(-c2ocnc2C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000005002030 220810548 /nfs/dbraw/zinc/81/05/48/220810548.db2.gz WRPBIUHIHRKPDA-UHFFFAOYSA-N 0 0 397.456 3.010 40 0 GGABRN COc1cc(C2=NO[C@H](C(=O)Nc3cccc(C(C)=O)c3)C2)cc(OC)c1OC ZINC000005030838 220815775 /nfs/dbraw/zinc/81/57/75/220815775.db2.gz XZHXSRRKARIHSM-IBGZPJMESA-N 0 0 398.415 3.047 40 0 GGABRN Cn1c(CNC(=O)CSc2nnc(-c3ccccc3)n2C)cc2ccccc21 ZINC000004973446 220802736 /nfs/dbraw/zinc/80/27/36/220802736.db2.gz HWUFDPPZSLAVKC-UHFFFAOYSA-N 0 0 391.500 3.382 40 0 GGABRN O=C(NC[C@@H]1CCCO1)[C@@H](OC(=O)C1=Cc2ccccc2OC1)c1ccccc1 ZINC000004982303 220805176 /nfs/dbraw/zinc/80/51/76/220805176.db2.gz SGMSRVVGEKFDFC-FPOVZHCZSA-N 0 0 393.439 3.042 40 0 GGABRN COc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 ZINC000004998153 220807692 /nfs/dbraw/zinc/80/76/92/220807692.db2.gz LBWQPUGHRYCJQM-GFCCVEGCSA-N 0 0 383.404 3.253 40 0 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CCc1c(C)nc2cc(-c3cc(C)on3)nn2c1NCCn1nc(C)cc1C ZINC000012276316 221174267 /nfs/dbraw/zinc/17/42/67/221174267.db2.gz COZHJVVCLFGCGY-UHFFFAOYSA-N 0 0 379.468 3.489 40 0 GGABRN CCN1CC[C@]2(C[C@H](NC(=O)c3cccnc3)c3ccccc3O2)CCC1=O ZINC000012274991 221174364 /nfs/dbraw/zinc/17/43/64/221174364.db2.gz QPSALTMWXOTTMV-AVRDEDQJSA-N 0 0 379.460 3.106 40 0 GGABRN Cc1cc(C)nc(-n2nc(C(C)(C)C)cc2OCC(=O)NC2CCCCC2)n1 ZINC000012443796 221195489 /nfs/dbraw/zinc/19/54/89/221195489.db2.gz ICSZWDLFAQJLQN-UHFFFAOYSA-N 0 0 385.512 3.404 40 0 GGABRN O=C(Cc1cn2ccsc2n1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000012507346 221200608 /nfs/dbraw/zinc/20/06/08/221200608.db2.gz FEWNOCMHERCRLJ-UHFFFAOYSA-N 0 0 398.469 3.472 40 0 GGABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2)c1 ZINC000012521034 221201614 /nfs/dbraw/zinc/20/16/14/221201614.db2.gz CVFUEVHOEOYJDR-HZPDHXFCSA-N 0 0 388.489 3.045 40 0 GGABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c1 ZINC000012521037 221201926 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O=C(Cc1ccccc1F)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000012406936 221188809 /nfs/dbraw/zinc/18/88/09/221188809.db2.gz WLFYNCYIOOYDPJ-CYBMUJFWSA-N 0 0 389.381 3.150 40 0 GGABRN O=C(CC1CCCCC1)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 ZINC000012407847 221188905 /nfs/dbraw/zinc/18/89/05/221188905.db2.gz NPLJNIDNCFFDHD-JKSUJKDBSA-N 0 0 381.471 3.478 40 0 GGABRN CNc1nc(C(N)=O)c(NC(=O)c2cc(-c3ccco3)nc3ccccc32)s1 ZINC000012417206 221190164 /nfs/dbraw/zinc/19/01/64/221190164.db2.gz FKYOQJJAAKPWCM-UHFFFAOYSA-N 0 0 393.428 3.344 40 0 GGABRN Cc1cc(C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)cs1 ZINC000012407886 221190330 /nfs/dbraw/zinc/19/03/30/221190330.db2.gz XVENBNUXAKINMV-UONOGXRCSA-N 0 0 381.452 3.191 40 0 GGABRN COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)NCc2ccccc2)cc1 ZINC000012656617 221217623 /nfs/dbraw/zinc/21/76/23/221217623.db2.gz VOVIDJQRLSFYPH-RGEXLXHISA-N 0 0 376.412 3.376 40 0 GGABRN c1coc(-c2nc(NC[C@@H]3CCCO3)ncc2-c2ccnc(N3CCCC3)n2)c1 ZINC000012666800 221217663 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CC[C@H](C)N1CCC(=O)N(CC(=O)N2CC[C@H](C)Sc3ccccc32)C1=O ZINC000012727634 221222776 /nfs/dbraw/zinc/22/27/76/221222776.db2.gz DMFIJZYQDAHPBT-GJZGRUSLSA-N 0 0 389.521 3.357 40 0 GGABRN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)Nc1cccc(F)c1 ZINC000012800824 221233970 /nfs/dbraw/zinc/23/39/70/221233970.db2.gz LLBQKIVZVAJJNU-UHFFFAOYSA-N 0 0 376.453 3.012 40 0 GGABRN CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccccc1O ZINC000012745179 221223880 /nfs/dbraw/zinc/22/38/80/221223880.db2.gz NEUPEVUDTBRZQO-HXUWFJFHSA-N 0 0 398.484 3.487 40 0 GGABRN Cc1cccc(C(=O)NCCC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000012748841 221224799 /nfs/dbraw/zinc/22/47/99/221224799.db2.gz ZATOQAXXDZQGLP-UHFFFAOYSA-N 0 0 395.503 3.137 40 0 GGABRN CN(C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)c1ccccc1 ZINC000012759245 221226772 /nfs/dbraw/zinc/22/67/72/221226772.db2.gz HDBZMKVHZGMESR-UHFFFAOYSA-N 0 0 387.233 3.098 40 0 GGABRN Cc1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)c(C)c1 ZINC000012766695 221227783 /nfs/dbraw/zinc/22/77/83/221227783.db2.gz RMEXBTRUCGPTIE-UHFFFAOYSA-N 0 0 388.533 3.199 40 0 GGABRN CC(C)Cc1ccc([C@@H](C)NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000012764939 221227786 /nfs/dbraw/zinc/22/77/86/221227786.db2.gz FBYZCHCTODJKJU-CQSZACIVSA-N 0 0 375.494 3.415 40 0 GGABRN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nnc(C3CCCCC3)s2)c1 ZINC000012763208 221227796 /nfs/dbraw/zinc/22/77/96/221227796.db2.gz SQBLUHNNMSPTOL-UHFFFAOYSA-N 0 0 394.522 3.088 40 0 GGABRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CNC(=O)c1cc(C)cc(C)c1 ZINC000012770311 221228868 /nfs/dbraw/zinc/22/88/68/221228868.db2.gz KECDEEROZZWDDD-UHFFFAOYSA-N 0 0 390.487 3.152 40 0 GGABRN Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C ZINC000012771074 221228899 /nfs/dbraw/zinc/22/88/99/221228899.db2.gz WNHOAIDTRBHOLV-UHFFFAOYSA-N 0 0 386.517 3.408 40 0 GGABRN CN(CCC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1Br ZINC000012768927 221229628 /nfs/dbraw/zinc/22/96/28/221229628.db2.gz MINWSYNRKFSBRP-UHFFFAOYSA-N 0 0 390.281 3.348 40 0 GGABRN Cc1nc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)nn1-c1ccc(F)cc1 ZINC000012775963 221230348 /nfs/dbraw/zinc/23/03/48/221230348.db2.gz KJVQURWQQWLPTJ-UHFFFAOYSA-N 0 0 395.438 3.042 40 0 GGABRN Cc1ccc(C)c(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000012788794 221231489 /nfs/dbraw/zinc/23/14/89/221231489.db2.gz XJCXSZKEIQCTEP-UHFFFAOYSA-N 0 0 386.517 3.489 40 0 GGABRN O=C(CCc1c[nH]c2ccccc12)O[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000012789138 221231988 /nfs/dbraw/zinc/23/19/88/221231988.db2.gz LPNBHRGIGAZXHR-JOCHJYFZSA-N 0 0 392.455 3.244 40 0 GGABRN CCOC(=O)c1sc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)nc1C ZINC000012805647 221235140 /nfs/dbraw/zinc/23/51/40/221235140.db2.gz JGAORXYIXFEFTO-CYBMUJFWSA-N 0 0 387.461 3.158 40 0 GGABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(F)cc(F)c1 ZINC000012806364 221235265 /nfs/dbraw/zinc/23/52/65/221235265.db2.gz FCFPLVYKTFXBAB-UHFFFAOYSA-N 0 0 394.443 3.069 40 0 GGABRN CCNC(=O)COC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 ZINC000012811628 221235796 /nfs/dbraw/zinc/23/57/96/221235796.db2.gz XJMCKIZTAVMWEM-UHFFFAOYSA-N 0 0 377.853 3.342 40 0 GGABRN CCc1cccc(N2C[C@@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)CC2=O)c1 ZINC000012822721 221237224 /nfs/dbraw/zinc/23/72/24/221237224.db2.gz CGPYUWOTQVRLKS-HNNXBMFYSA-N 0 0 398.459 3.266 40 0 GGABRN COc1ccc(CCNC(=O)c2cnn(-c3ccc(C)cc3)c2C)cc1OC ZINC000012822983 221237345 /nfs/dbraw/zinc/23/73/45/221237345.db2.gz SSRICENLNBHTNT-UHFFFAOYSA-N 0 0 379.460 3.479 40 0 GGABRN Cc1noc(C)c1CSCC(=O)N(C)CC(=O)Nc1ccc(Cl)cc1 ZINC000012859551 221239341 /nfs/dbraw/zinc/23/93/41/221239341.db2.gz JWSBAOSBVHKMOH-UHFFFAOYSA-N 0 0 381.885 3.275 40 0 GGABRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000012859607 221239463 /nfs/dbraw/zinc/23/94/63/221239463.db2.gz GVCRNZSHIKLJGN-IBGZPJMESA-N 0 0 377.444 3.457 40 0 GGABRN CCN(CC(=O)NCc1cccs1)C(=O)CCC(=O)c1ccc(F)cc1 ZINC000012877227 221239874 /nfs/dbraw/zinc/23/98/74/221239874.db2.gz HQOSJANXPRPRED-UHFFFAOYSA-N 0 0 376.453 3.015 40 0 GGABRN Cc1sc2[nH]c([C@H](C)N(C)Cc3nc4ccccc4c(=O)[nH]3)nc(=O)c2c1C 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O=C(CSc1nnnn1C1CCCCC1)NCCOc1ccc(Cl)cc1 ZINC000012999818 221255801 /nfs/dbraw/zinc/25/58/01/221255801.db2.gz MUNVIFVQZKDVGP-UHFFFAOYSA-N 0 0 395.916 3.119 40 0 GGABRN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012916109 221245823 /nfs/dbraw/zinc/24/58/23/221245823.db2.gz GQXVLIGAPAQGIW-UHFFFAOYSA-N 0 0 395.484 3.053 40 0 GGABRN Cc1cc2nc(COc3ccc(NC(=O)c4ccccc4)cc3)cc(=O)n2o1 ZINC000013368517 221266851 /nfs/dbraw/zinc/26/68/51/221266851.db2.gz XJBKZCSQJGJKGG-UHFFFAOYSA-N 0 0 375.384 3.427 40 0 GGABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1NC(C)=O ZINC000013005259 221257154 /nfs/dbraw/zinc/25/71/54/221257154.db2.gz NQOSMRHZRLHDKX-NSHDSACASA-N 0 0 382.869 3.347 40 0 GGABRN CCCn1c2ccccc2n(CCC(=O)Nc2ccc(OC)c(OC)c2)c1=O ZINC000013005909 221257187 /nfs/dbraw/zinc/25/71/87/221257187.db2.gz VKAVFWHDVCSOHA-UHFFFAOYSA-N 0 0 383.448 3.259 40 0 GGABRN CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)CCC2)c1cccc(Cl)c1 ZINC000013013038 221257779 /nfs/dbraw/zinc/25/77/79/221257779.db2.gz WRATZKZAMLDVAB-UHFFFAOYSA-N 0 0 378.881 3.233 40 0 GGABRN CC(=O)Nc1cccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c1 ZINC000013022346 221258133 /nfs/dbraw/zinc/25/81/33/221258133.db2.gz KBUXLJNUEUSAOY-UHFFFAOYSA-N 0 0 378.432 3.000 40 0 GGABRN CCc1cccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OC)cc3C)CC2=O)c1 ZINC000013014229 221258152 /nfs/dbraw/zinc/25/81/52/221258152.db2.gz BMTYSHCHVCSLEA-QGZVFWFLSA-N 0 0 380.444 3.336 40 0 GGABRN CSc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc4nccnc4c3)C2)cc1 ZINC000013014077 221258417 /nfs/dbraw/zinc/25/84/17/221258417.db2.gz GVLLPLCSYULPOW-IBGZPJMESA-N 0 0 398.513 3.462 40 0 GGABRN CCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1ccccc1OC ZINC000013057337 221259308 /nfs/dbraw/zinc/25/93/08/221259308.db2.gz LYMNVEZPOKKXEP-UHFFFAOYSA-N 0 0 395.381 3.012 40 0 GGABRN COc1ccc(CN(C)CC(=O)Nc2cccc(Cl)c2)c(OC)c1OC ZINC000013072772 221260296 /nfs/dbraw/zinc/26/02/96/221260296.db2.gz DLXCOFRIYYVWLD-UHFFFAOYSA-N 0 0 378.856 3.436 40 0 GGABRN Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3cccnc3)N(c3ccccc3)O[C@@H]2C1=O ZINC000013115717 221261467 /nfs/dbraw/zinc/26/14/67/221261467.db2.gz OKIOGBUHXQLPFA-HKBOAZHASA-N 0 0 385.423 3.441 40 0 GGABRN Cc1cc(-c2cc(=O)[nH]nc2C2CCN(C(=O)Cc3cccs3)CC2)on1 ZINC000013226316 221263666 /nfs/dbraw/zinc/26/36/66/221263666.db2.gz HGKNDDOSAOMLTP-UHFFFAOYSA-N 0 0 384.461 3.156 40 0 GGABRN Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)Cc3csc(C)n3)C2)on1 ZINC000013226008 221264289 /nfs/dbraw/zinc/26/42/89/221264289.db2.gz PPXNLHGBBQCTSD-GFCCVEGCSA-N 0 0 389.506 3.215 40 0 GGABRN Cc1cc2nc([C@@H]3CCCN(C(=O)c4ccncc4)C3)cc(C(F)(F)F)n2n1 ZINC000013226819 221264346 /nfs/dbraw/zinc/26/43/46/221264346.db2.gz ZONLFDCAAVPVBH-CQSZACIVSA-N 0 0 389.381 3.471 40 0 GGABRN COc1cc(C)ccc1OCC(=O)N1[C@@H]2CC[C@H]1Cc1c2cnc2cc(C)nn21 ZINC000013226957 221264373 /nfs/dbraw/zinc/26/43/73/221264373.db2.gz VZWDNZRXAKJXQC-DOTOQJQBSA-N 0 0 392.459 3.022 40 0 GGABRN COc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013581516 221275450 /nfs/dbraw/zinc/27/54/50/221275450.db2.gz XWPMARDKWUUDPX-UHFFFAOYSA-N 0 0 394.537 3.322 40 0 GGABRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1OC ZINC000013581331 221275595 /nfs/dbraw/zinc/27/55/95/221275595.db2.gz ANXXXHNJRZGTAO-HNNXBMFYSA-N 0 0 390.505 3.217 40 0 GGABRN CCN(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1cc(F)ccc1OC ZINC000013581148 221275613 /nfs/dbraw/zinc/27/56/13/221275613.db2.gz GVUYSVNZRMPARA-UHFFFAOYSA-N 0 0 394.468 3.100 40 0 GGABRN CCC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000013581680 221275649 /nfs/dbraw/zinc/27/56/49/221275649.db2.gz IBYOTKWWUXFQBL-HNNXBMFYSA-N 0 0 382.526 3.178 40 0 GGABRN CCS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccc(Cl)cc3)ccc21 ZINC000013583963 221275700 /nfs/dbraw/zinc/27/57/00/221275700.db2.gz LDYDSYVUTPBGMA-UHFFFAOYSA-N 0 0 392.908 3.372 40 0 GGABRN COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000013580962 221275751 /nfs/dbraw/zinc/27/57/51/221275751.db2.gz ASDIWFLRUQGPQA-UHFFFAOYSA-N 0 0 394.468 3.217 40 0 GGABRN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc(Br)cc1 ZINC000013583202 221275881 /nfs/dbraw/zinc/27/58/81/221275881.db2.gz FQZQKVXSWOVSHU-UHFFFAOYSA-N 0 0 397.294 3.260 40 0 GGABRN CCOc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)CC)cc1 ZINC000013584062 221275992 /nfs/dbraw/zinc/27/59/92/221275992.db2.gz LMIRYGJXCSMAEU-UHFFFAOYSA-N 0 0 388.489 3.440 40 0 GGABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1c(C)cc(C)cc1C ZINC000013582980 221276006 /nfs/dbraw/zinc/27/60/06/221276006.db2.gz JTGKOXQSNBYTJY-UHFFFAOYSA-N 0 0 376.478 3.269 40 0 GGABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1cccc2ccccc21 ZINC000013582833 221276052 /nfs/dbraw/zinc/27/60/52/221276052.db2.gz HZLIWLSOBLACBJ-UHFFFAOYSA-N 0 0 384.457 3.497 40 0 GGABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)N(C)c1ccccc1)S(C)(=O)=O ZINC000013612327 221276791 /nfs/dbraw/zinc/27/67/91/221276791.db2.gz CAOVDOLBDDICKH-CQSZACIVSA-N 0 0 380.897 3.466 40 0 GGABRN COCc1nc2nc(SC)nn2c(N)c1-c1ccc(Br)cc1 ZINC000013638164 221278321 /nfs/dbraw/zinc/27/83/21/221278321.db2.gz WRENAXBWSAYHIL-UHFFFAOYSA-N 0 0 380.271 3.004 40 0 GGABRN O=C1C[C@H](Sc2nnc3sc4ccccc4n23)C(=O)N1Cc1ccccc1 ZINC000013638528 221278374 /nfs/dbraw/zinc/27/83/74/221278374.db2.gz KBVKSJXEAJTSCH-HNNXBMFYSA-N 0 0 394.481 3.364 40 0 GGABRN Cc1cccc(CCCNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000013632846 221278643 /nfs/dbraw/zinc/27/86/43/221278643.db2.gz BQNGNLWHEQFZJZ-UHFFFAOYSA-N 0 0 394.924 3.163 40 0 GGABRN Cc1nc(NC(=O)CSc2nc3ccccc3o2)nc2c1C(=O)C[C@H](C)C2 ZINC000013636236 221278779 /nfs/dbraw/zinc/27/87/79/221278779.db2.gz GJWSUUZLCNMIBF-SNVBAGLBSA-N 0 0 382.445 3.422 40 0 GGABRN CCn1c2cc(OC)ccc2cc(CNc2ccc(N3CCOCC3)cc2)c1=O ZINC000013483269 221270411 /nfs/dbraw/zinc/27/04/11/221270411.db2.gz TWHIOHLKUHBAIC-UHFFFAOYSA-N 0 0 393.487 3.479 40 0 GGABRN Cc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000013494831 221270516 /nfs/dbraw/zinc/27/05/16/221270516.db2.gz OUHBZUKKTRPTRD-UHFFFAOYSA-N 0 0 377.853 3.219 40 0 GGABRN CCOc1ccccc1/C=c1\sc2nnc(-c3cccc(Cl)c3)n2c1=O ZINC000013547096 221271132 /nfs/dbraw/zinc/27/11/32/221271132.db2.gz HLTWQLJMEGZGFM-WJDWOHSUSA-N 0 0 383.860 3.418 40 0 GGABRN CCOc1ccc(Cl)cc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2)C1=O ZINC000013546776 221271939 /nfs/dbraw/zinc/27/19/39/221271939.db2.gz KKSMHQIGAMTIEI-LFIBNONCSA-N 0 0 399.834 3.270 40 0 GGABRN COc1cc(OC)c(C(=S)N2CCN(Cc3ccccc3)CC2)cc1OC ZINC000013547798 221272098 /nfs/dbraw/zinc/27/20/98/221272098.db2.gz OFSHNUPEXAZOOW-UHFFFAOYSA-N 0 0 386.517 3.206 40 0 GGABRN COc1ccc2cc(CNc3ccc(C(=O)N4CCCC4)cc3)c(=O)[nH]c2c1 ZINC000013561295 221272642 /nfs/dbraw/zinc/27/26/42/221272642.db2.gz PZFICQUUAHWRHZ-UHFFFAOYSA-N 0 0 377.444 3.385 40 0 GGABRN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nnnn1-c1ccc(F)c(Cl)c1 ZINC000013561701 221272677 /nfs/dbraw/zinc/27/26/77/221272677.db2.gz WBDLIADAGQJNOM-PHIMTYICSA-N 0 0 383.880 3.336 40 0 GGABRN COc1ccc(CCN(Cc2cc3cc(C)ccc3[nH]c2=O)C(C)=O)cc1OC ZINC000013555090 221273026 /nfs/dbraw/zinc/27/30/26/221273026.db2.gz IVKZEKCDVRDWBI-UHFFFAOYSA-N 0 0 394.471 3.445 40 0 GGABRN CNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013556677 221273261 /nfs/dbraw/zinc/27/32/61/221273261.db2.gz QAWVYUKKFFMGIE-UHFFFAOYSA-N 0 0 381.501 3.352 40 0 GGABRN CC(C)(C)OC(=O)N1CCC2(CC1)Nc1ccc(Br)cc1C(=O)N2 ZINC000013566715 221274692 /nfs/dbraw/zinc/27/46/92/221274692.db2.gz ALFZDHAFPXOYKY-UHFFFAOYSA-N 0 0 396.285 3.332 40 0 GGABRN C[C@@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O ZINC000013580475 221274804 /nfs/dbraw/zinc/27/48/04/221274804.db2.gz KNBBWZWGYDWKSJ-INIZCTEOSA-N 0 0 386.517 3.150 40 0 GGABRN CC(C)n1cc[n+](-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000013785891 221289513 /nfs/dbraw/zinc/28/95/13/221289513.db2.gz ADFJMJDYBRESOA-UHFFFAOYSA-N 0 0 394.480 3.090 40 0 GGABRN CCOC(=O)c1cccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)c1C ZINC000013669420 221279747 /nfs/dbraw/zinc/27/97/47/221279747.db2.gz MHUJHFHLLTUVIK-UHFFFAOYSA-N 0 0 390.461 3.104 40 0 GGABRN COc1ccc(CCN(Cc2cc3ccc(C)cc3[nH]c2=O)C(C)=O)cc1OC ZINC000013658238 221279993 /nfs/dbraw/zinc/27/99/93/221279993.db2.gz PTXPUUQRXZUDCA-UHFFFAOYSA-N 0 0 394.471 3.445 40 0 GGABRN CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1OC ZINC000013683152 221280684 /nfs/dbraw/zinc/28/06/84/221280684.db2.gz CSAHMTMHWLTANG-UHFFFAOYSA-N 0 0 382.869 3.208 40 0 GGABRN COc1cc(OC)cc(OCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 ZINC000013684080 221280768 /nfs/dbraw/zinc/28/07/68/221280768.db2.gz ZMNWBOSRHQCLCM-UHFFFAOYSA-N 0 0 386.448 3.250 40 0 GGABRN CN(c1cccc(NC(=O)CCSCc2ccccc2)c1)S(C)(=O)=O ZINC000013688066 221280775 /nfs/dbraw/zinc/28/07/75/221280775.db2.gz UTRCNMOPQTVWQQ-UHFFFAOYSA-N 0 0 378.519 3.344 40 0 GGABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1cc(OC)cc(OC)c1 ZINC000013684027 221280853 /nfs/dbraw/zinc/28/08/53/221280853.db2.gz GMMPAZXTKBUCKF-CQSZACIVSA-N 0 0 386.448 3.250 40 0 GGABRN COCCCNC(=O)c1ccccc1NC(=O)COc1cc(C)cc(C)c1C ZINC000013684576 221280960 /nfs/dbraw/zinc/28/09/60/221280960.db2.gz AKAWVOLQSOOJNQ-UHFFFAOYSA-N 0 0 384.476 3.396 40 0 GGABRN O=C(CCSCc1ccccc1)Nc1ccccc1C(=O)N1CCOCC1 ZINC000013688126 221281118 /nfs/dbraw/zinc/28/11/18/221281118.db2.gz NEJHSUHOTYVWFN-UHFFFAOYSA-N 0 0 384.501 3.421 40 0 GGABRN CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(C(C)C)cc2)Oc2ccccc21 ZINC000013683037 221281176 /nfs/dbraw/zinc/28/11/76/221281176.db2.gz JUHRZMPSDUVMQF-IBGZPJMESA-N 0 0 388.489 3.366 40 0 GGABRN CC[C@H](C(=O)NCCc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714081 221282722 /nfs/dbraw/zinc/28/27/22/221282722.db2.gz IEPPILBMCLVBAK-GOSISDBHSA-N 0 0 394.924 3.244 40 0 GGABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)c1 ZINC000013710703 221282774 /nfs/dbraw/zinc/28/27/74/221282774.db2.gz HQTDAOMIMQYEBS-CQSZACIVSA-N 0 0 385.416 3.283 40 0 GGABRN CCOc1ccccc1NC(=O)[C@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715234 221282872 /nfs/dbraw/zinc/28/28/72/221282872.db2.gz QPBKSWOLUDBLGW-KRWDZBQOSA-N 0 0 394.468 3.408 40 0 GGABRN CCOc1ccc(NC(=O)[C@@H](CC)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000013715236 221283037 /nfs/dbraw/zinc/28/30/37/221283037.db2.gz YMYLMHMFWJLPIT-GOSISDBHSA-N 0 0 394.468 3.408 40 0 GGABRN CC[C@H](C(=O)Nc1cccc(OC)c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713105 221283071 /nfs/dbraw/zinc/28/30/71/221283071.db2.gz YOXABJVEJUDHAZ-GOSISDBHSA-N 0 0 376.478 3.187 40 0 GGABRN CC[C@H](C(=O)Nc1cc(C)ccc1OC)N(c1ccccc1)S(C)(=O)=O ZINC000013711245 221283127 /nfs/dbraw/zinc/28/31/27/221283127.db2.gz KSDKOJQCGSEWKF-QGZVFWFLSA-N 0 0 376.478 3.187 40 0 GGABRN CC[C@H](C(=O)N1CCc2ccccc21)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013715049 221283267 /nfs/dbraw/zinc/28/32/67/221283267.db2.gz UAYWDMWJEJNMQW-QGZVFWFLSA-N 0 0 392.908 3.474 40 0 GGABRN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000013709416 221283271 /nfs/dbraw/zinc/28/32/71/221283271.db2.gz JRFDIRUTCMFKNP-AWEZNQCLSA-N 0 0 375.428 3.436 40 0 GGABRN CC[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N(c1ccccc1)S(C)(=O)=O ZINC000013711659 221283280 /nfs/dbraw/zinc/28/32/80/221283280.db2.gz PIQOSWAGLQAAKB-ILCGBQQYSA-N 0 0 390.549 3.316 40 0 GGABRN Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000013710538 221283305 /nfs/dbraw/zinc/28/33/05/221283305.db2.gz DFNDAYJASDSEOO-SFHVURJKSA-N 0 0 396.487 3.144 40 0 GGABRN CC[C@H](C(=O)NCCSC(C)(C)C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713483 221283319 /nfs/dbraw/zinc/28/33/19/221283319.db2.gz DVJBZEHJDUZLCO-MRXNPFEDSA-N 0 0 386.583 3.188 40 0 GGABRN C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000013709414 221283398 /nfs/dbraw/zinc/28/33/98/221283398.db2.gz JRFDIRUTCMFKNP-CQSZACIVSA-N 0 0 375.428 3.436 40 0 GGABRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013748217 221286916 /nfs/dbraw/zinc/28/69/16/221286916.db2.gz VRZZXOREXCUAJR-ACRUOGEOSA-N 0 0 385.423 3.128 40 0 GGABRN CC[C@@H](C)OC(=O)[C@@H]1[C@@H]2C=C[C@@H]([C@@H]3C[C@@H]32)[C@@H]1C(=O)OCC(=O)c1ccccc1 ZINC000013857173 221292053 /nfs/dbraw/zinc/29/20/53/221292053.db2.gz ZZUYXQFNSYJDTB-QIXDPTGESA-N 0 0 382.456 3.439 40 0 GGABRN C[C@H]1CN(CC(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)cc2)C[C@H](C)O1 ZINC000013995886 221295665 /nfs/dbraw/zinc/29/56/65/221295665.db2.gz CLHGLIHRJLOGGR-GJZGRUSLSA-N 0 0 384.432 3.255 40 0 GGABRN C[C@@H](NC(=O)CCn1cnc2c3cc(F)ccc3[nH]c2c1=O)c1ccccc1 ZINC000014001171 221295768 /nfs/dbraw/zinc/29/57/68/221295768.db2.gz JQCKBHPLDPKUBM-CYBMUJFWSA-N 0 0 378.407 3.284 40 0 GGABRN O=S(=O)(N1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013997616 221295884 /nfs/dbraw/zinc/29/58/84/221295884.db2.gz ZYTMHRPSGCNYIU-UHFFFAOYSA-N 0 0 399.560 3.124 40 0 GGABRN O=C(CSc1nnc(CNc2ccc(F)cc2)o1)NCc1cccs1 ZINC000013998102 221296023 /nfs/dbraw/zinc/29/60/23/221296023.db2.gz HSQWCLYLBXFKKF-UHFFFAOYSA-N 0 0 378.454 3.291 40 0 GGABRN CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 ZINC000014062514 221296778 /nfs/dbraw/zinc/29/67/78/221296778.db2.gz COLKRYABKZEUSQ-UHFFFAOYSA-N 0 0 384.860 3.096 40 0 GGABRN Nn1c(Cc2ccccc2F)nnc1SCc1cnn(-c2ccccc2)c1 ZINC000014068203 221296806 /nfs/dbraw/zinc/29/68/06/221296806.db2.gz FUEYZNDORLYSNM-UHFFFAOYSA-N 0 0 380.452 3.200 40 0 GGABRN COC(=O)c1cccc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)c1 ZINC000014062132 221297217 /nfs/dbraw/zinc/29/72/17/221297217.db2.gz MVWXQMCMRLZFOM-UHFFFAOYSA-N 0 0 387.457 3.198 40 0 GGABRN CN(Cc1ccco1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000014057664 221297359 /nfs/dbraw/zinc/29/73/59/221297359.db2.gz ODGHBIFYNXGAGX-UHFFFAOYSA-N 0 0 388.420 3.492 40 0 GGABRN COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2F)c1OC ZINC000014019941 221297389 /nfs/dbraw/zinc/29/73/89/221297389.db2.gz XVECMTFDFJQKEB-QGZVFWFLSA-N 0 0 385.395 3.110 40 0 GGABRN COc1ccc(S(=O)(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 ZINC000014099663 221299019 /nfs/dbraw/zinc/29/90/19/221299019.db2.gz YIVNYPRDKILDQG-UHFFFAOYSA-N 0 0 389.395 3.253 40 0 GGABRN Cn1ccnc1Sc1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1 ZINC000014085074 221299147 /nfs/dbraw/zinc/29/91/47/221299147.db2.gz JACIQQHHJFCXHK-UHFFFAOYSA-N 0 0 380.473 3.330 40 0 GGABRN C[C@@H]1C[C@H](C)CN(C(=O)COc2ncnc3ccc(Br)cc32)C1 ZINC000014128679 221299439 /nfs/dbraw/zinc/29/94/39/221299439.db2.gz LYKUIGXACDWOLX-TXEJJXNPSA-N 0 0 378.270 3.276 40 0 GGABRN COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC2)c1 ZINC000014118085 221299937 /nfs/dbraw/zinc/29/99/37/221299937.db2.gz WGTNIOZHSQMBQK-UHFFFAOYSA-N 0 0 394.880 3.020 40 0 GGABRN C[C@@]1(c2ccco2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)C1=O ZINC000014124419 221300066 /nfs/dbraw/zinc/30/00/66/221300066.db2.gz SKKYGOLMXLSMFR-SFHVURJKSA-N 0 0 376.796 3.062 40 0 GGABRN CCOc1ccc(OCC)c(NC(=O)Cn2c3ccccc3n(CC)c2=O)c1 ZINC000014145836 221301199 /nfs/dbraw/zinc/30/11/99/221301199.db2.gz ALQWEKBPAFJQNO-UHFFFAOYSA-N 0 0 383.448 3.259 40 0 GGABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1cccc(Cl)c1 ZINC000014595061 221311745 /nfs/dbraw/zinc/31/17/45/221311745.db2.gz GEIWHEKEPHHWKK-UHFFFAOYSA-N 0 0 379.796 3.161 40 0 GGABRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)c1cccs1 ZINC000014602728 221311829 /nfs/dbraw/zinc/31/18/29/221311829.db2.gz AQWMXADEUSKYAO-CYBMUJFWSA-N 0 0 396.509 3.165 40 0 GGABRN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)c1cccs1 ZINC000014602729 221312032 /nfs/dbraw/zinc/31/20/32/221312032.db2.gz AQWMXADEUSKYAO-ZDUSSCGKSA-N 0 0 396.509 3.165 40 0 GGABRN Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N3CCc4sccc4C3)cc2)n1 ZINC000014175442 221302130 /nfs/dbraw/zinc/30/21/30/221302130.db2.gz GMLIFQULJZCPBM-UHFFFAOYSA-N 0 0 395.484 3.292 40 0 GGABRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C3CC3)CC2)cc1 ZINC000014184691 221302309 /nfs/dbraw/zinc/30/23/09/221302309.db2.gz CFCDGTKBDKAPJS-HNNXBMFYSA-N 0 0 378.538 3.125 40 0 GGABRN C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 ZINC000014198341 221303838 /nfs/dbraw/zinc/30/38/38/221303838.db2.gz XTPIZUKJOQJMGQ-QGZVFWFLSA-N 0 0 386.517 3.281 40 0 GGABRN Cn1c(SCc2ccc(C(F)(F)F)cc2)nnc1[C@H]1CCS(=O)(=O)C1 ZINC000014199061 221304170 /nfs/dbraw/zinc/30/41/70/221304170.db2.gz WUMUITFAMHQMLH-NSHDSACASA-N 0 0 391.440 3.028 40 0 GGABRN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc2c(c1)OCO2 ZINC000014210654 221304517 /nfs/dbraw/zinc/30/45/17/221304517.db2.gz ANXWBNYKIDYJKI-SNVBAGLBSA-N 0 0 384.251 3.217 40 0 GGABRN COc1ccc(-c2noc(CCC(=O)Nc3cccc(NC(C)=O)c3)n2)cc1 ZINC000014211224 221304782 /nfs/dbraw/zinc/30/47/82/221304782.db2.gz NUCBPVSJZWWTCY-UHFFFAOYSA-N 0 0 380.404 3.275 40 0 GGABRN Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1-c1nccs1 ZINC000014237155 221305706 /nfs/dbraw/zinc/30/57/06/221305706.db2.gz BRQQTDIQKAAUQD-UHFFFAOYSA-N 0 0 383.260 3.297 40 0 GGABRN COc1ccc(Cl)cc1CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 ZINC000014251464 221306517 /nfs/dbraw/zinc/30/65/17/221306517.db2.gz ZHMPETIWNBUNNC-SNVBAGLBSA-N 0 0 388.898 3.001 40 0 GGABRN C[C@@H](NC(=O)CCc1ccc(-c2ccccc2)o1)c1cccc(S(N)(=O)=O)c1 ZINC000014246668 221306625 /nfs/dbraw/zinc/30/66/25/221306625.db2.gz YEQPTXOZXRVGHO-OAHLLOKOSA-N 0 0 398.484 3.404 40 0 GGABRN CC(=O)c1ccc(O[C@H](C)C(=O)O[C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000014244662 221307228 /nfs/dbraw/zinc/30/72/28/221307228.db2.gz UEAIUEICKXUQPA-MUIFIZLQSA-N 0 0 375.465 3.378 40 0 GGABRN CCCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2Cl)ccc1OC ZINC000014291925 221308358 /nfs/dbraw/zinc/30/83/58/221308358.db2.gz IRVFXAQIWPQPPK-UHFFFAOYSA-N 0 0 382.869 3.289 40 0 GGABRN CCOc1ccc(CN(C)C(=O)CCn2cnc3c(C)cccc3c2=O)cc1 ZINC000014284653 221308582 /nfs/dbraw/zinc/30/85/82/221308582.db2.gz YUCFBPJYJBDNSJ-UHFFFAOYSA-N 0 0 379.460 3.152 40 0 GGABRN CCc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000014357724 221308890 /nfs/dbraw/zinc/30/88/90/221308890.db2.gz BIITZOVRDWICCO-CQSZACIVSA-N 0 0 394.924 3.400 40 0 GGABRN Cc1cc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)ccc1Br ZINC000014338540 221308932 /nfs/dbraw/zinc/30/89/32/221308932.db2.gz PLMRQXXTPYPPMU-OKILXGFUSA-N 0 0 391.265 3.037 40 0 GGABRN COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1S(=O)(=O)N(C)C ZINC000014426444 221309377 /nfs/dbraw/zinc/30/93/77/221309377.db2.gz ISYXWZSEZACYEE-UHFFFAOYSA-N 0 0 376.478 3.123 40 0 GGABRN COCCCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3F)cc2C1=O ZINC000014424355 221310037 /nfs/dbraw/zinc/31/00/37/221310037.db2.gz XRWOMXDMXJJLGA-UHFFFAOYSA-N 0 0 390.798 3.364 40 0 GGABRN Cc1ccccc1[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014425472 221310108 /nfs/dbraw/zinc/31/01/08/221310108.db2.gz LINIDMDVEFCMBQ-AWEZNQCLSA-N 0 0 380.897 3.146 40 0 GGABRN Cc1cccc(OC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)c1 ZINC000014466523 221310484 /nfs/dbraw/zinc/31/04/84/221310484.db2.gz LFCWJKQNNUSKOD-UHFFFAOYSA-N 0 0 377.437 3.140 40 0 GGABRN CSCC[C@H](C(=O)OCCc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000014464921 221311139 /nfs/dbraw/zinc/31/11/39/221311139.db2.gz ANKVTRBKZFLRSW-GOSISDBHSA-N 0 0 383.469 3.190 40 0 GGABRN CN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000014427086 221311297 /nfs/dbraw/zinc/31/12/97/221311297.db2.gz MFUIRGWMZORHRG-UHFFFAOYSA-N 0 0 391.251 3.392 40 0 GGABRN COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1S(=O)(=O)N(C)C ZINC000014428772 221311316 /nfs/dbraw/zinc/31/13/16/221311316.db2.gz UFVSTWGZZIBBRF-UHFFFAOYSA-N 0 0 382.869 3.160 40 0 GGABRN COc1ccc(-c2nc3n(n2)[C@@H](C(=O)Nc2ccc(C)cc2C)CC(=O)N3)cc1 ZINC000014607351 221313229 /nfs/dbraw/zinc/31/32/29/221313229.db2.gz MGZJJZYTKSNHAU-QGZVFWFLSA-N 0 0 391.431 3.093 40 0 GGABRN COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 ZINC000014607333 221313384 /nfs/dbraw/zinc/31/33/84/221313384.db2.gz GAVFWAZQXQQLMO-OAHLLOKOSA-N 0 0 397.822 3.129 40 0 GGABRN CC1CCN(S(=O)(=O)c2ccc(C(=O)NCCc3cccs3)cc2)CC1 ZINC000014629549 221313487 /nfs/dbraw/zinc/31/34/87/221313487.db2.gz GBHBDAQGHOOJCS-UHFFFAOYSA-N 0 0 392.546 3.141 40 0 GGABRN CCn1nnc2cc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)ccc21 ZINC000014707730 221314573 /nfs/dbraw/zinc/31/45/73/221314573.db2.gz QALRKCCZMWZSBC-UHFFFAOYSA-N 0 0 385.855 3.194 40 0 GGABRN CCn1c2ccccc2n(CCC(=O)NCCc2c[nH]c3ccccc23)c1=O ZINC000014683849 221314654 /nfs/dbraw/zinc/31/46/54/221314654.db2.gz QAXCQDHWLSFWEU-UHFFFAOYSA-N 0 0 376.460 3.053 40 0 GGABRN C[C@@H](Sc1nnc(NCCc2cccs2)s1)C(=O)NCC(F)(F)F ZINC000014703829 221314682 /nfs/dbraw/zinc/31/46/82/221314682.db2.gz CRMSXNIAIZWIHL-MRVPVSSYSA-N 0 0 396.485 3.413 40 0 GGABRN CCn1c2ccccc2n(Cc2nnc(-c3ccc(Br)o3)o2)c1=O ZINC000014713053 221314998 /nfs/dbraw/zinc/31/49/98/221314998.db2.gz ZNNDUBIVTMVPOR-UHFFFAOYSA-N 0 0 389.209 3.277 40 0 GGABRN Cc1cc(NC(=O)CSc2nnc(NCCc3cccs3)s2)on1 ZINC000014802349 221318005 /nfs/dbraw/zinc/31/80/05/221318005.db2.gz AXMIBRXVKNWUPF-UHFFFAOYSA-N 0 0 381.508 3.281 40 0 GGABRN Cc1ccc(OC(F)F)c(C(=O)COC(=O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000014857845 221318035 /nfs/dbraw/zinc/31/80/35/221318035.db2.gz OWJBSDFJCMILDI-UHFFFAOYSA-N 0 0 398.383 3.040 40 0 GGABRN Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCN(Cc4ccccc4)CC3)c12 ZINC000014898548 221318888 /nfs/dbraw/zinc/31/88/88/221318888.db2.gz RIBJMEHGPDHMLN-UHFFFAOYSA-N 0 0 389.503 3.112 40 0 GGABRN C[C@@]1(O)Cc2[nH][nH]c(=O)c2[C@@H](c2ccc(Cl)cc2)[C@@H]1C(=O)Nc1ccccc1 ZINC000015081090 221332897 /nfs/dbraw/zinc/33/28/97/221332897.db2.gz YFMAICZYSYQHBQ-HGHGUNKESA-N 0 0 397.862 3.463 40 0 GGABRN COc1cccc(C2CCN([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)c1 ZINC000015084375 221332916 /nfs/dbraw/zinc/33/29/16/221332916.db2.gz DKNPJVUYQMGVSB-FQEVSTJZSA-N 0 0 382.435 3.346 40 0 GGABRN O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccccn1)c1ccccc1 ZINC000015206111 221333580 /nfs/dbraw/zinc/33/35/80/221333580.db2.gz RIHTYJIXRFDGIZ-UHFFFAOYSA-N 0 0 391.456 3.438 40 0 GGABRN C[C@@H](NC(=O)COC(=O)COc1cccc2c1OC(C)(C)C2)c1ccccc1 ZINC000015224457 221334132 /nfs/dbraw/zinc/33/41/32/221334132.db2.gz XBOVVTYUCGPFPF-OAHLLOKOSA-N 0 0 383.444 3.200 40 0 GGABRN C[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)cc1 ZINC000015197457 221334144 /nfs/dbraw/zinc/33/41/44/221334144.db2.gz WGZJGZRTFTVNRR-OAHLLOKOSA-N 0 0 383.469 3.500 40 0 GGABRN C[C@@H](NC(=O)c1ccccc1Br)c1ccc(S(C)(=O)=O)cc1 ZINC000015197036 221334188 /nfs/dbraw/zinc/33/41/88/221334188.db2.gz OVZUDMPROFTOSS-LLVKDONJSA-N 0 0 382.279 3.344 40 0 GGABRN CCOC(=O)CCCNC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000015187009 221334206 /nfs/dbraw/zinc/33/42/06/221334206.db2.gz GBPUHCLZOBZCMW-UHFFFAOYSA-N 0 0 395.883 3.155 40 0 GGABRN CCOc1ccccc1C(=O)NCC(=O)OCCOc1cccc(Cl)c1 ZINC000015184192 221334343 /nfs/dbraw/zinc/33/43/43/221334343.db2.gz WROGNUJIQOYFEY-UHFFFAOYSA-N 0 0 377.824 3.091 40 0 GGABRN CCCCN1C(=O)C(=Cc2cc3c(cc2Br)OCO3)NC1=S ZINC000015282829 221334402 /nfs/dbraw/zinc/33/44/02/221334402.db2.gz REUIFRXDRLTLOS-VZUCSPMQSA-N 0 0 383.267 3.036 40 0 GGABRN CCc1cccc(CC)c1NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000015351141 221334839 /nfs/dbraw/zinc/33/48/39/221334839.db2.gz ANOWRQPJXRMTMP-UHFFFAOYSA-N 0 0 378.476 3.118 40 0 GGABRN CS(=O)(=O)c1nc2ccccc2n1Cc1cc(Cl)cc2c1OCOC2 ZINC000015374505 221335005 /nfs/dbraw/zinc/33/50/05/221335005.db2.gz CYRIHGPVUNUEQF-UHFFFAOYSA-N 0 0 378.837 3.008 40 0 GGABRN COC(=O)c1ccc(S(=O)(=O)NCCc2ccc(C(F)(F)F)cc2)cc1 ZINC000015329357 221335207 /nfs/dbraw/zinc/33/52/07/221335207.db2.gz FJOASHWDSXPFES-UHFFFAOYSA-N 0 0 387.379 3.013 40 0 GGABRN CSc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000015329400 221335251 /nfs/dbraw/zinc/33/52/51/221335251.db2.gz RRMUGIPBVPRXIJ-UHFFFAOYSA-N 0 0 390.530 3.138 40 0 GGABRN C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 ZINC000015340152 221335353 /nfs/dbraw/zinc/33/53/53/221335353.db2.gz ISQZIKNIZUFTLR-OAHLLOKOSA-N 0 0 390.480 3.491 40 0 GGABRN COc1ccc(C)cc1NC(=O)CSc1nnnn1-c1cccc(C)c1C ZINC000015511946 221336093 /nfs/dbraw/zinc/33/60/93/221336093.db2.gz VEVJRTWPJKPQMC-UHFFFAOYSA-N 0 0 383.477 3.327 40 0 GGABRN Cc1ccc(F)cc1NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000015591967 221337258 /nfs/dbraw/zinc/33/72/58/221337258.db2.gz IXJFBAMLGBUYOO-UHFFFAOYSA-N 0 0 388.420 3.458 40 0 GGABRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3cccnc3)c2)cc1 ZINC000015434377 221336283 /nfs/dbraw/zinc/33/62/83/221336283.db2.gz WKKPBRGORHNLJU-UHFFFAOYSA-N 0 0 395.484 3.145 40 0 GGABRN COc1ccc(CNC(=O)CCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 ZINC000015425178 221336501 /nfs/dbraw/zinc/33/65/01/221336501.db2.gz YDSZDZVNROASCE-UHFFFAOYSA-N 0 0 397.431 3.011 40 0 GGABRN NC(=O)c1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000015498402 221336569 /nfs/dbraw/zinc/33/65/69/221336569.db2.gz AJAJCGQXSCRJDG-UHFFFAOYSA-N 0 0 387.848 3.022 40 0 GGABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000015588350 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COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000016596147 221366910 /nfs/dbraw/zinc/36/69/10/221366910.db2.gz FTFXLJWTKWXDTQ-SFHVURJKSA-N 0 0 392.411 3.046 40 0 GGABRN O=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CCCCCCC1 ZINC000015992781 221354216 /nfs/dbraw/zinc/35/42/16/221354216.db2.gz MSWDFTGJCZSWKJ-UHFFFAOYSA-N 0 0 382.501 3.019 40 0 GGABRN Cc1cc(NC(=O)[C@H](C)SCC(=O)NC23CC4CC(CC(C4)C2)C3)no1 ZINC000016022385 221355303 /nfs/dbraw/zinc/35/53/03/221355303.db2.gz FAZFVVYJXUWJPO-UHSVVUDUSA-N 0 0 377.510 3.128 40 0 GGABRN CC(C)(C)N=C1NN=C(c2ccc(S(=O)(=O)N3CCCCC3)cc2)CS1 ZINC000016049789 221356185 /nfs/dbraw/zinc/35/61/85/221356185.db2.gz SWEANMULVBJBGD-UHFFFAOYSA-N 0 0 394.566 3.056 40 0 GGABRN S=C1N[C@@H](/C=C\c2ccccc2)N2C(=S)N[C@H](/C=C/c3ccccc3)N12 ZINC000017147730 221380078 /nfs/dbraw/zinc/38/00/78/221380078.db2.gz HWPJVFAHJIDXJJ-NXWRZAKJSA-N 0 0 378.526 3.361 40 0 GGABRN N#[N+]c1ccc(/C=C\c2ccc([N+]#N)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC000017162447 221381161 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ZINC000017227440 221382661 /nfs/dbraw/zinc/38/26/61/221382661.db2.gz LUGNCBFBCKTRMX-UHFFFAOYSA-N 0 0 377.466 3.198 40 0 GGABRN COc1ccccc1CNC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O ZINC000017478089 221383246 /nfs/dbraw/zinc/38/32/46/221383246.db2.gz ZZOQSYWVLNKXOO-UHFFFAOYSA-N 0 0 392.242 3.028 40 0 GGABRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c(C)c1 ZINC000017320984 221383263 /nfs/dbraw/zinc/38/32/63/221383263.db2.gz RIUAUXKLIMWVNZ-UHFFFAOYSA-N 0 0 392.565 3.415 40 0 GGABRN CCn1nnc2cc(C(=O)/N=c3/sccn3Cc3ccccc3F)ccc21 ZINC000017368865 221383544 /nfs/dbraw/zinc/38/35/44/221383544.db2.gz JLPRSQQBGAUKQB-XUTLUUPISA-N 0 0 381.436 3.243 40 0 GGABRN O=C(CCNC(=O)c1ccccc1Cl)/N=c1/sccn1Cc1ccccc1 ZINC000017370140 221383747 /nfs/dbraw/zinc/38/37/47/221383747.db2.gz JPLCHSFXSVAESF-BSYVCWPDSA-N 0 0 399.903 3.499 40 0 GGABRN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Cn1ccccc1=O ZINC000017477376 221384053 /nfs/dbraw/zinc/38/40/53/221384053.db2.gz DGLZSXYKAQLKFN-UHFFFAOYSA-N 0 0 382.441 3.392 40 0 GGABRN CSc1ccccc1N1C(=O)C[C@H](N2CCN(c3ccc(F)cc3)CC2)C1=O ZINC000017877436 221384483 /nfs/dbraw/zinc/38/44/83/221384483.db2.gz WVTOBITWAGNNQR-SFHVURJKSA-N 0 0 399.491 3.002 40 0 GGABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc3ccccc32)cc1 ZINC000016691897 221369426 /nfs/dbraw/zinc/36/94/26/221369426.db2.gz CJWALPXFBFVQFA-UHFFFAOYSA-N 0 0 398.484 3.498 40 0 GGABRN CCCn1c2ccccc2n(CCC(=O)Nc2ccc(C(=O)OC)cc2)c1=O ZINC000016699551 221369710 /nfs/dbraw/zinc/36/97/10/221369710.db2.gz GJNUCUVXBAFVMP-UHFFFAOYSA-N 0 0 381.432 3.028 40 0 GGABRN Cn1ccs/c1=N\C(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000016699229 221369779 /nfs/dbraw/zinc/36/97/79/221369779.db2.gz AHOTYYQILFNEPZ-DQRAZIAOSA-N 0 0 379.485 3.220 40 0 GGABRN CCCn1c2ccccc2n(CC(=O)Nc2ccc(OC(F)F)cc2)c1=O ZINC000016706582 221369837 /nfs/dbraw/zinc/36/98/37/221369837.db2.gz UMCGUINPYITPEN-UHFFFAOYSA-N 0 0 375.375 3.453 40 0 GGABRN O=C1N[C@H](c2ccccc2)C(=C(O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000016711601 221369906 /nfs/dbraw/zinc/36/99/06/221369906.db2.gz SHNBOUGTFVGPKS-CKEIUWERSA-N 0 0 398.768 3.444 40 0 GGABRN COC(=O)c1cc(NC(=O)c2cc(-c3ccccc3)on2)cc(C(=O)OC)c1 ZINC000016706136 221369938 /nfs/dbraw/zinc/36/99/38/221369938.db2.gz PUNDVDJVYLBNIE-UHFFFAOYSA-N 0 0 380.356 3.167 40 0 GGABRN CCn1c(SCC(=O)c2cc(OC)ccc2OC)nnc1-c1ccccn1 ZINC000016755416 221370304 /nfs/dbraw/zinc/37/03/04/221370304.db2.gz GKASTMUXGIYNOC-UHFFFAOYSA-N 0 0 384.461 3.352 40 0 GGABRN CCCc1nn(CC(=O)Nc2ccc(F)cc2F)c(=S)n1-n1cccc1 ZINC000016777861 221370669 /nfs/dbraw/zinc/37/06/69/221370669.db2.gz ZHIBTJSAUPUXFV-UHFFFAOYSA-N 0 0 377.420 3.396 40 0 GGABRN O=c1c2cc(Cl)cc(Cl)c2ncn1CCS(=O)(=O)Oc1ccccc1 ZINC000016759141 221371085 /nfs/dbraw/zinc/37/10/85/221371085.db2.gz XPENRTVSEOFORY-UHFFFAOYSA-N 0 0 399.255 3.112 40 0 GGABRN CCOc1cc(S(=O)(=O)N2CCN=C2Cc2ccccc2)ccc1Cl ZINC000016780287 221371390 /nfs/dbraw/zinc/37/13/90/221371390.db2.gz QNJJOOSLGILJNZ-UHFFFAOYSA-N 0 0 378.881 3.384 40 0 GGABRN Cc1cc(NCCc2ccccc2)c(C=O)c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000016808063 221372024 /nfs/dbraw/zinc/37/20/24/221372024.db2.gz OUAYJHRXEXJGSX-UHFFFAOYSA-N 0 0 390.439 3.401 40 0 GGABRN NC(=O)c1ccc(COC(=O)CCOc2cccc(Br)c2)cc1 ZINC000016813177 221372069 /nfs/dbraw/zinc/37/20/69/221372069.db2.gz XPPDECTYULAGCQ-UHFFFAOYSA-N 0 0 378.222 3.060 40 0 GGABRN CCC12CN(C(=O)c3ccccc3)CC(C)(CN(C(=O)c3ccccc3)C1)C2=O ZINC000016888985 221373203 /nfs/dbraw/zinc/37/32/03/221373203.db2.gz VMPIIXXUCXKBCX-UHFFFAOYSA-N 0 0 390.483 3.270 40 0 GGABRN Cc1cc(N2N=C2SCCOc2ccc(Br)cc2)nc(N)n1 ZINC000016850183 221373290 /nfs/dbraw/zinc/37/32/90/221373290.db2.gz XFRLJZBSEOJFSQ-UHFFFAOYSA-N 0 0 380.271 3.033 40 0 GGABRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(F)ccc1F ZINC000016960580 221374371 /nfs/dbraw/zinc/37/43/71/221374371.db2.gz NWZHXBPYSGNXRX-UHFFFAOYSA-N 0 0 394.443 3.321 40 0 GGABRN O=C(COc1ccc(N2CCCC2=O)cc1)Nc1ccnn1Cc1ccccc1 ZINC000016963506 221374424 /nfs/dbraw/zinc/37/44/24/221374424.db2.gz GPVHVFJQMAWICM-UHFFFAOYSA-N 0 0 390.443 3.076 40 0 GGABRN CCCOC(=O)c1ccc(NC(=O)COc2ccc(N3CCCC3=O)cc2)cc1 ZINC000016961822 221374623 /nfs/dbraw/zinc/37/46/23/221374623.db2.gz GARCKEHBOPIODP-UHFFFAOYSA-N 0 0 396.443 3.398 40 0 GGABRN CCOc1ccc(C(=O)NCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000017064700 221376352 /nfs/dbraw/zinc/37/63/52/221376352.db2.gz IMEROWPWJCSCEW-UHFFFAOYSA-N 0 0 380.366 3.150 40 0 GGABRN CCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000017077748 221377429 /nfs/dbraw/zinc/37/74/29/221377429.db2.gz LORDYXDFEXVJAF-UHFFFAOYSA-N 0 0 380.444 3.354 40 0 GGABRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@@H]1c1ccccc1Cl ZINC000017081183 221378933 /nfs/dbraw/zinc/37/89/33/221378933.db2.gz GJUSVGFSQNXEKL-HNNXBMFYSA-N 0 0 396.830 3.439 40 0 GGABRN O=C(Cn1cnc2c3ccccc3oc2c1=O)OCc1nc2ccccc2s1 ZINC000017152157 221379259 /nfs/dbraw/zinc/37/92/59/221379259.db2.gz GOSBEOUUGRQJPN-UHFFFAOYSA-N 0 0 391.408 3.496 40 0 GGABRN CC(=O)C1=NN(c2ccccc2)[C@](Cc2ccccc2)(N2CCOCC2)S1 ZINC000019205165 221398805 /nfs/dbraw/zinc/39/88/05/221398805.db2.gz LMYQTINPIQXKHB-NRFANRHFSA-N 0 0 381.501 3.371 40 0 GGABRN COc1cc(C)ccc1CN1CCc2nc([C@@H]3CCCCN3C(C)=O)ncc2C1 ZINC000019134099 221399079 /nfs/dbraw/zinc/39/90/79/221399079.db2.gz ZRYKZFLCNHWOER-NRFANRHFSA-N 0 0 394.519 3.425 40 0 GGABRN CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)[C@H](C)c1ccc(C)cc1)C2 ZINC000019136171 221399240 /nfs/dbraw/zinc/39/92/40/221399240.db2.gz BNYTUJAETNSFDA-IERDGZPVSA-N 0 0 392.503 3.157 40 0 GGABRN CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000019170181 221399340 /nfs/dbraw/zinc/39/93/40/221399340.db2.gz YYMXZAOAUFPWNG-UHFFFAOYSA-N 0 0 387.288 3.473 40 0 GGABRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4)N4CCCN4[C@@H]3C2=O)cc1C ZINC000019169155 221399537 /nfs/dbraw/zinc/39/95/37/221399537.db2.gz KFSQEFDKOQQRBS-AABGKKOBSA-N 0 0 395.890 3.492 40 0 GGABRN O=C(CCc1ccccc1F)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000019162606 221399567 /nfs/dbraw/zinc/39/95/67/221399567.db2.gz CITOXEGRBHSZNM-UHFFFAOYSA-N 0 0 376.453 3.182 40 0 GGABRN C[C@@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1[C@H](c1ccccc1)N1CCCN12 ZINC000019167845 221399717 /nfs/dbraw/zinc/39/97/17/221399717.db2.gz NBZXIGIGOGGPTK-LQWHRVPQSA-N 0 0 381.863 3.266 40 0 GGABRN CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)[C@H](C)c1ccc(C)cc1)C2 ZINC000019136178 221399782 /nfs/dbraw/zinc/39/97/82/221399782.db2.gz BNYTUJAETNSFDA-IIBYNOLFSA-N 0 0 392.503 3.157 40 0 GGABRN C[C@@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1[C@@H](c1ccccc1)N1CCCN12 ZINC000019167882 221399804 /nfs/dbraw/zinc/39/98/04/221399804.db2.gz NBZXIGIGOGGPTK-UEXGIBASSA-N 0 0 381.863 3.266 40 0 GGABRN CN(Cc1cccc(Cl)c1Cl)C(=O)Cn1cnc2sccc2c1=O ZINC000017916950 221384968 /nfs/dbraw/zinc/38/49/68/221384968.db2.gz JADQAPHXXSKWNS-UHFFFAOYSA-N 0 0 382.272 3.423 40 0 GGABRN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000017855452 221385072 /nfs/dbraw/zinc/38/50/72/221385072.db2.gz GZIIERFWTNBBOA-HNNXBMFYSA-N 0 0 399.878 3.065 40 0 GGABRN CCCCc1nnc(NC(=O)C23C[C@H]4C[C@H](CC(NC(C)=O)(C4)C2)C3)s1 ZINC000018021967 221386057 /nfs/dbraw/zinc/38/60/57/221386057.db2.gz SBKCWDIZMMFCKH-BAUKFBFWSA-N 0 0 376.526 3.294 40 0 GGABRN CN(CC(=O)Nc1ccccc1Br)C(=O)c1n[nH]c2ccccc21 ZINC000018020338 221386654 /nfs/dbraw/zinc/38/66/54/221386654.db2.gz HLTWABYTBFWCKS-UHFFFAOYSA-N 0 0 387.237 3.036 40 0 GGABRN COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000018113100 221386895 /nfs/dbraw/zinc/38/68/95/221386895.db2.gz CJDUCIRPJBZNSX-UHFFFAOYSA-N 0 0 395.459 3.445 40 0 GGABRN CCc1ccc(C(=O)CCC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000018099745 221387187 /nfs/dbraw/zinc/38/71/87/221387187.db2.gz QPTIBYCCVPDZKT-UHFFFAOYSA-N 0 0 377.444 3.107 40 0 GGABRN Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000018084002 221387227 /nfs/dbraw/zinc/38/72/27/221387227.db2.gz HWYSABASVYVYQS-UHFFFAOYSA-N 0 0 392.546 3.116 40 0 GGABRN COc1ccc(NC(C)=O)cc1NC(=O)C12C[C@H]3C[C@H](CC(NC(C)=O)(C3)C1)C2 ZINC000018178608 221388660 /nfs/dbraw/zinc/38/86/60/221388660.db2.gz QWWPTXPRANJFEQ-MBWAJUJLSA-N 0 0 399.491 3.067 40 0 GGABRN COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccco4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000018206997 221390024 /nfs/dbraw/zinc/39/00/24/221390024.db2.gz MLMNIIWAGRXMHP-AABGKKOBSA-N 0 0 390.395 3.339 40 0 GGABRN Cc1oc(NC(=O)CSc2nc3cc(C)ccc3[nH]2)c2c1c(C)n[nH]c2=O ZINC000018198494 221390611 /nfs/dbraw/zinc/39/06/11/221390611.db2.gz MIHHHGRRLZVGGR-UHFFFAOYSA-N 0 0 383.433 3.048 40 0 GGABRN Cc1ccccc1CNC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O ZINC000018265854 221391189 /nfs/dbraw/zinc/39/11/89/221391189.db2.gz WVEUUZCYEKJHFY-UHFFFAOYSA-N 0 0 376.243 3.328 40 0 GGABRN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)N[C@@H](C)c1ccc4c(c1)OCCO4)(C3)C2 ZINC000018282997 221391905 /nfs/dbraw/zinc/39/19/05/221391905.db2.gz AVYWYDGKKDKCJO-BXUWQIASSA-N 0 0 398.503 3.110 40 0 GGABRN O=C(OCc1nc(-c2ccsc2)no1)c1ccc(CN2CCCC2=O)cc1 ZINC000018524190 221392346 /nfs/dbraw/zinc/39/23/46/221392346.db2.gz DIIBMPXXIRWJQW-UHFFFAOYSA-N 0 0 383.429 3.278 40 0 GGABRN Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000018832167 221392438 /nfs/dbraw/zinc/39/24/38/221392438.db2.gz RQGNTNWWBKWFMT-UHFFFAOYSA-N 0 0 386.517 3.490 40 0 GGABRN O=C(COC(=O)c1cc(Cl)ccc1F)N1CCN(c2ccc(F)cc2)CC1 ZINC000018800068 221392568 /nfs/dbraw/zinc/39/25/68/221392568.db2.gz RBPJINZIORSPKR-UHFFFAOYSA-N 0 0 394.805 3.124 40 0 GGABRN Cc1ccc(S(C)(=O)=O)cc1NC(=O)COc1cccc2c1OC(C)(C)C2 ZINC000018700615 221392633 /nfs/dbraw/zinc/39/26/33/221392633.db2.gz URXNRBJEFKSYPH-UHFFFAOYSA-N 0 0 389.473 3.130 40 0 GGABRN COC(=O)c1ccc(OCC(=O)NCCc2ccc(C(C)C)cc2)c(OC)c1 ZINC000018547655 221393140 /nfs/dbraw/zinc/39/31/40/221393140.db2.gz JMSPMYYZGLXJHN-UHFFFAOYSA-N 0 0 385.460 3.343 40 0 GGABRN CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)CCn1cccn1 ZINC000019017561 221393452 /nfs/dbraw/zinc/39/34/52/221393452.db2.gz YQAIGLSBUBTPDN-MQSCRBSSSA-N 0 0 394.519 3.059 40 0 GGABRN CC(=O)N1CCc2nc([C@@H]3CCCN3CCCOc3ccccc3F)ncc2C1 ZINC000019018611 221393537 /nfs/dbraw/zinc/39/35/37/221393537.db2.gz RNJSLZZKYUYMAT-FQEVSTJZSA-N 0 0 398.482 3.126 40 0 GGABRN CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)CC1CCCCC1)C2 ZINC000019017327 221393722 /nfs/dbraw/zinc/39/37/22/221393722.db2.gz IDRLJILBBUKGRL-HXUWFJFHSA-N 0 0 384.524 3.405 40 0 GGABRN CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(CCOc1ccc(F)cc1)C2 ZINC000019017396 221393776 /nfs/dbraw/zinc/39/37/76/221393776.db2.gz DFHAYFIFIUNROA-OAQYLSRUSA-N 0 0 398.482 3.126 40 0 GGABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1cccnc1 ZINC000019017521 221393915 /nfs/dbraw/zinc/39/39/15/221393915.db2.gz KRQDIQVYXXDVDT-BDTNDASRSA-N 0 0 377.488 3.481 40 0 GGABRN CC(=O)N1CCc2nc([C@H]3CCCCN3CCOc3ccc(F)cc3)ncc2C1 ZINC000019018265 221393998 /nfs/dbraw/zinc/39/39/98/221393998.db2.gz FQMXYKWKRZQLFL-OAQYLSRUSA-N 0 0 398.482 3.126 40 0 GGABRN COc1cccc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C(C)=O)c1 ZINC000019017727 221394231 /nfs/dbraw/zinc/39/42/31/221394231.db2.gz IRUZKVDROUYIRN-YPAWHYETSA-N 0 0 396.462 3.453 40 0 GGABRN CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)CCC1CCCC1)C2 ZINC000019017330 221394265 /nfs/dbraw/zinc/39/42/65/221394265.db2.gz WJZUIKLMEIANAR-HXUWFJFHSA-N 0 0 384.524 3.405 40 0 GGABRN CN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000019008944 221394404 /nfs/dbraw/zinc/39/44/04/221394404.db2.gz LBUJOPJWRZCVJZ-UHFFFAOYSA-N 0 0 392.908 3.404 40 0 GGABRN O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1cccc2nsnc21 ZINC000019077449 221395011 /nfs/dbraw/zinc/39/50/11/221395011.db2.gz HMIRENUBWYHNCV-UHFFFAOYSA-N 0 0 380.429 3.287 40 0 GGABRN CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)c3cccn3C)CC2)C1 ZINC000019019826 221395033 /nfs/dbraw/zinc/39/50/33/221395033.db2.gz HSYHXYNPRLVYSI-UHFFFAOYSA-N 0 0 395.503 3.220 40 0 GGABRN Cc1ccc2c(CC(=O)OCC(=O)Nc3cccc4nsnc43)coc2c1 ZINC000019077701 221395070 /nfs/dbraw/zinc/39/50/70/221395070.db2.gz YTSMJICMOZZHRU-UHFFFAOYSA-N 0 0 381.413 3.470 40 0 GGABRN Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1cccc2nsnc21 ZINC000019077615 221395350 /nfs/dbraw/zinc/39/53/50/221395350.db2.gz CTXZKTMAKNXFKG-UHFFFAOYSA-N 0 0 394.412 3.450 40 0 GGABRN CC(=O)Nc1ccc(NC(=O)CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000019022529 221395582 /nfs/dbraw/zinc/39/55/82/221395582.db2.gz YGMDOKAMTHDHJX-MRXNPFEDSA-N 0 0 391.475 3.339 40 0 GGABRN COc1ccc([C@@H](NS(=O)(=O)c2cccc3nsnc32)C(C)C)cc1 ZINC000019096629 221395895 /nfs/dbraw/zinc/39/58/95/221395895.db2.gz VINYPICHGJQPDE-INIZCTEOSA-N 0 0 377.491 3.376 40 0 GGABRN COc1ccc([C@H](NS(=O)(=O)c2cccc3nsnc32)C(C)C)cc1 ZINC000019096631 221395899 /nfs/dbraw/zinc/39/58/99/221395899.db2.gz VINYPICHGJQPDE-MRXNPFEDSA-N 0 0 377.491 3.376 40 0 GGABRN Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@H]1c1n[nH]cc1-c1ccncc1 ZINC000019083756 221395985 /nfs/dbraw/zinc/39/59/85/221395985.db2.gz BVXCNNOECCLYNL-INIZCTEOSA-N 0 0 378.480 3.480 40 0 GGABRN C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1 ZINC000019080537 221396072 /nfs/dbraw/zinc/39/60/72/221396072.db2.gz SYBMYCFGXOHIKV-CYBMUJFWSA-N 0 0 399.422 3.062 40 0 GGABRN CC(C)(C)c1ncc(C(=O)N2CCC[C@H](c3cc4cccnc4c(=O)[nH]3)C2)cn1 ZINC000019084779 221396352 /nfs/dbraw/zinc/39/63/52/221396352.db2.gz FMRAAFQWIWOACA-HNNXBMFYSA-N 0 0 391.475 3.443 40 0 GGABRN COc1ccc(-c2nnc(NC(=O)[C@@H](C)n3cc(Cl)cn3)s2)cc1OC ZINC000019080773 221396442 /nfs/dbraw/zinc/39/64/42/221396442.db2.gz VNSXNDACFYOYQX-SECBINFHSA-N 0 0 393.856 3.272 40 0 GGABRN COc1ccc(-c2ccccc2C[C@@H]2CN(C(=O)C(C)C)CCNC2=O)cc1 ZINC000019085770 221396522 /nfs/dbraw/zinc/39/65/22/221396522.db2.gz BNKDAMNDMLEOMI-LJQANCHMSA-N 0 0 380.488 3.135 40 0 GGABRN Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccncc1 ZINC000019083754 221396656 /nfs/dbraw/zinc/39/66/56/221396656.db2.gz BVXCNNOECCLYNL-MRXNPFEDSA-N 0 0 378.480 3.480 40 0 GGABRN COCC(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 ZINC000019084046 221396839 /nfs/dbraw/zinc/39/68/39/221396839.db2.gz YFIQASORWROHJG-HZSPNIEDSA-N 0 0 384.471 3.056 40 0 GGABRN COc1ccc2sc(NC(=O)c3cc(C(C)(C)C)n4ncnc4n3)nc2c1 ZINC000019083887 221397119 /nfs/dbraw/zinc/39/71/19/221397119.db2.gz MJMWMZQMUCVYNN-UHFFFAOYSA-N 0 0 382.449 3.292 40 0 GGABRN Cc1cc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)Cn2nc(C)c(C)c2C)on1 ZINC000019121343 221397398 /nfs/dbraw/zinc/39/73/98/221397398.db2.gz LNSYZSBSIYTNDO-SFHVURJKSA-N 0 0 396.495 3.259 40 0 GGABRN Cc1cc(C(F)F)nn1CC(=O)N1CCC[C@H](c2cc3ncccc3cn2)C1 ZINC000019119169 221397497 /nfs/dbraw/zinc/39/74/97/221397497.db2.gz MYBCROQIZLVGJE-HNNXBMFYSA-N 0 0 385.418 3.479 40 0 GGABRN COCCn1c(C)cc2cc(NC(=O)c3cc(C(C)C)n4ncnc4n3)ccc21 ZINC000019126303 221397533 /nfs/dbraw/zinc/39/75/33/221397533.db2.gz USNVXCOILJRXIR-UHFFFAOYSA-N 0 0 392.463 3.410 40 0 GGABRN Cc1[nH]c2ccc(F)cc2c1C(=O)CN1CCN(c2cc(C)nc(C)n2)CC1 ZINC000019117560 221397536 /nfs/dbraw/zinc/39/75/36/221397536.db2.gz KMRQBWOLTNVSQC-UHFFFAOYSA-N 0 0 381.455 3.027 40 0 GGABRN Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)c2ccccn2)on1 ZINC000019121964 221397595 /nfs/dbraw/zinc/39/75/95/221397595.db2.gz MIQWGUBTJDVCLM-QGZVFWFLSA-N 0 0 392.463 3.268 40 0 GGABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)c3c(C)noc3C)C1)N2 ZINC000019128142 221397619 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Cc1cnccc1-c1c[nH]nc1[C@H]1CCCCN1C(=O)c1ccc(C)n(C)c1=O ZINC000019131649 221398207 /nfs/dbraw/zinc/39/82/07/221398207.db2.gz RNQZYAHOCWUUNV-LJQANCHMSA-N 0 0 391.475 3.155 40 0 GGABRN Cc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)CCCn3cncn3)C2)n1 ZINC000019117668 221398232 /nfs/dbraw/zinc/39/82/32/221398232.db2.gz ZRLRSISVYQNXIC-INIZCTEOSA-N 0 0 396.520 3.291 40 0 GGABRN Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)c2c(C)noc2C)on1 ZINC000019122407 221398246 /nfs/dbraw/zinc/39/82/46/221398246.db2.gz VRCYNLGRMPQWLD-OAHLLOKOSA-N 0 0 396.451 3.088 40 0 GGABRN Cc1[nH]c2ccc(F)cc2c1C(=O)CN1CCN(c2nc(C)cc(C)n2)CC1 ZINC000019118775 221398250 /nfs/dbraw/zinc/39/82/50/221398250.db2.gz GIXLQTBDEUXTAO-UHFFFAOYSA-N 0 0 381.455 3.027 40 0 GGABRN O=C(COc1ccccn1)N[C@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000019370507 221410485 /nfs/dbraw/zinc/41/04/85/221410485.db2.gz OXWIHPYIDOAUFT-LJQANCHMSA-N 0 0 390.439 3.332 40 0 GGABRN O=C(CCNC(=O)c1cccnc1)N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 ZINC000019373800 221410509 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3.369 40 0 GGABRN Cc1noc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)c2cnc(C)cn2)c1C ZINC000019238906 221403408 /nfs/dbraw/zinc/40/34/08/221403408.db2.gz GVNPKROZTCBMGS-QGZVFWFLSA-N 0 0 380.452 3.158 40 0 GGABRN Cc1noc(-c2cnn(C)c2[C@@H]2CCCCN2C(=O)c2cnc(C)cn2)c1C ZINC000019238911 221403524 /nfs/dbraw/zinc/40/35/24/221403524.db2.gz KOBIEAAGPZMLKZ-KRWDZBQOSA-N 0 0 380.452 3.158 40 0 GGABRN Cn1ccnc1-c1nc(NCCc2cnccn2)ncc1-c1ccc(F)cc1 ZINC000019291693 221405800 /nfs/dbraw/zinc/40/58/00/221405800.db2.gz WJECDFMABLGQHC-UHFFFAOYSA-N 0 0 375.411 3.128 40 0 GGABRN O=C(c1cnc(N2CCCCC2)nc1)N1CCC(Oc2cccc(F)c2)CC1 ZINC000019294220 221406059 /nfs/dbraw/zinc/40/60/59/221406059.db2.gz OIBOAQIFIOUQMH-UHFFFAOYSA-N 0 0 384.455 3.290 40 0 GGABRN Cn1ccnc1-c1nc(NCCCN2CCCC2=O)ncc1-c1cccc(F)c1 ZINC000019291653 221406374 /nfs/dbraw/zinc/40/63/74/221406374.db2.gz IUPJXTZDWJVAOD-UHFFFAOYSA-N 0 0 394.454 3.108 40 0 GGABRN O=C(c1cccnc1)N1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)C1CCC1 ZINC000019337700 221407896 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GGABRN COc1ccc2c(c1)C[C@@H](C1CCOCC1)N(C(=O)CCn1nc(C)cc1C)C2 ZINC000019573928 221429253 /nfs/dbraw/zinc/42/92/53/221429253.db2.gz SNWNLNWZDSDFSF-QFIPXVFZSA-N 0 0 397.519 3.279 40 0 GGABRN CC(C)c1nc(N2CCC(NC(=O)[C@H]3C[C@H]3C)CC2)ncc1-c1ccncc1 ZINC000019495862 221416072 /nfs/dbraw/zinc/41/60/72/221416072.db2.gz FDKOWGLQPYEUJA-QAPCUYQASA-N 0 0 379.508 3.403 40 0 GGABRN COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)[C@H]2C[C@@H]2C)c1 ZINC000019495900 221416397 /nfs/dbraw/zinc/41/63/97/221416397.db2.gz ZDRNWOFLYQQMDE-KXBFYZLASA-N 0 0 376.460 3.393 40 0 GGABRN CCC(CC)C(=O)N1CC[C@@](Cc2ccc(-c3ccncc3)cc2)(C(N)=O)C1 ZINC000019500055 221416822 /nfs/dbraw/zinc/41/68/22/221416822.db2.gz CBPLWTJSCCZDAR-QHCPKHFHSA-N 0 0 379.504 3.431 40 0 GGABRN CCC(=O)N1CC[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC2CC2)C1 ZINC000019498448 221416975 /nfs/dbraw/zinc/41/69/75/221416975.db2.gz NMMLYOFBNDTTJX-QHCPKHFHSA-N 0 0 377.488 3.198 40 0 GGABRN CCC(=O)N1CCC[C@@](Cc2ccc(-c3ccncc3)cc2)(C(=O)N(C)C)C1 ZINC000019498623 221417247 /nfs/dbraw/zinc/41/72/47/221417247.db2.gz MUGWZSANRRMXPM-QHCPKHFHSA-N 0 0 379.504 3.398 40 0 GGABRN CCC(=O)N1CC[C@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC2CC2)C1 ZINC000019498449 221417291 /nfs/dbraw/zinc/41/72/91/221417291.db2.gz NMMLYOFBNDTTJX-HSZRJFAPSA-N 0 0 377.488 3.198 40 0 GGABRN CCC(=O)N1CCO[C@](Cc2ccccc2-c2ccccc2)(C(=O)NC(C)C)C1 ZINC000019498993 221417298 /nfs/dbraw/zinc/41/72/98/221417298.db2.gz UZKSKOYTKLCNKC-DEOSSOPVSA-N 0 0 394.515 3.428 40 0 GGABRN COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)C[C@@H](C)O4)cs2)nc(OC)n1 ZINC000019498246 221417393 /nfs/dbraw/zinc/41/73/93/221417393.db2.gz HVQLNLGHSKGVSB-SNVBAGLBSA-N 0 0 398.444 3.193 40 0 GGABRN CCCC(=O)N1CCNC(=O)[C@H](Cc2ccccc2-c2ccc(OC)cc2)C1 ZINC000019501464 221417529 /nfs/dbraw/zinc/41/75/29/221417529.db2.gz YTANTKUVJOVXMD-LJQANCHMSA-N 0 0 380.488 3.279 40 0 GGABRN Cc1noc(C)c1Cc1c(C)onc1C(=O)N1CCC(Oc2cccnc2)CC1 ZINC000019580936 221430827 /nfs/dbraw/zinc/43/08/27/221430827.db2.gz GXUUWFVNTKLNKA-UHFFFAOYSA-N 0 0 396.447 3.257 40 0 GGABRN CCCc1nccc(-c2c[nH]nc2C2CCN(C(=O)c3ccncc3)CC2)n1 ZINC000019525826 221420435 /nfs/dbraw/zinc/42/04/35/221420435.db2.gz KRYOMLVQIMYOTK-UHFFFAOYSA-N 0 0 376.464 3.234 40 0 GGABRN CCCn1cc(S(=O)(=O)NCCc2nc(-c3ccccc3)cs2)c(C)n1 ZINC000019526063 221421136 /nfs/dbraw/zinc/42/11/36/221421136.db2.gz BZRAOTBATIXOHN-UHFFFAOYSA-N 0 0 390.534 3.246 40 0 GGABRN CCNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)C2CC2)C1 ZINC000019528389 221422787 /nfs/dbraw/zinc/42/27/87/221422787.db2.gz QGAHWJATSOKLKT-DEOSSOPVSA-N 0 0 391.515 3.446 40 0 GGABRN CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)C2CC2)C1 ZINC000019528381 221423117 /nfs/dbraw/zinc/42/31/17/221423117.db2.gz AGONZOAVRREWET-DEOSSOPVSA-N 0 0 391.515 3.446 40 0 GGABRN CCOC(=O)C1(C[C@H]2CC(c3ccc(C)cc3)=NO2)CCN(C(=O)C2CC2)CC1 ZINC000019530103 221423298 /nfs/dbraw/zinc/42/32/98/221423298.db2.gz IXYMWRQNVMHTQQ-LJQANCHMSA-N 0 0 398.503 3.460 40 0 GGABRN CCOc1ncccc1C(=O)N1CCO[C@H](c2cc3cc(F)ccc3cn2)C1 ZINC000019531503 221423724 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40 0 GGABRN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000057383537 222031496 /nfs/dbraw/zinc/03/14/96/222031496.db2.gz RXAHZJWWPDOCBJ-QGZVFWFLSA-N 0 0 378.881 3.056 40 0 GGABRN CCCS(=O)(=O)c1ccccc1C(=O)NCCCn1c(C)nc2ccccc21 ZINC000057346065 222032653 /nfs/dbraw/zinc/03/26/53/222032653.db2.gz PBLZSNVJFJDHTN-UHFFFAOYSA-N 0 0 399.516 3.349 40 0 GGABRN CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000057460834 222033950 /nfs/dbraw/zinc/03/39/50/222033950.db2.gz BJVCISRKTTWJRU-HXUWFJFHSA-N 0 0 397.450 3.346 40 0 GGABRN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CNc1ccc(F)cc1 ZINC000045521104 221965034 /nfs/dbraw/zinc/96/50/34/221965034.db2.gz JFWIPDYQBYERBN-UHFFFAOYSA-N 0 0 390.484 3.448 40 0 GGABRN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000048164642 221981395 /nfs/dbraw/zinc/98/13/95/221981395.db2.gz TZFWOOXDLVNNKH-OAHLLOKOSA-N 0 0 399.878 3.065 40 0 GGABRN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000048333040 221988326 /nfs/dbraw/zinc/98/83/26/221988326.db2.gz NNBKTRXFQZMKDU-YJYMSZOUSA-N 0 0 386.879 3.488 40 0 GGABRN Cn1c(CCc2nc3ccccc3[nH]2)nnc1SCC(=O)Nc1ccccc1 ZINC000057506301 222035292 /nfs/dbraw/zinc/03/52/92/222035292.db2.gz RILWZNSDHLEGSK-UHFFFAOYSA-N 0 0 392.488 3.207 40 0 GGABRN c1cc(CN2CCC[C@H]2c2nc(-c3ccc(-c4cncnc4)nc3)no2)ccn1 ZINC000049155329 221997478 /nfs/dbraw/zinc/99/74/78/221997478.db2.gz OWLBYAKIEQTKRG-IBGZPJMESA-N 0 0 385.431 3.321 40 0 biogenic,in-vitro GGABRN CCOC(=O)N1CCC(NC(=O)Nc2cc(NC(=O)C3CC3)ccc2C)CC1 ZINC000057543463 222035640 /nfs/dbraw/zinc/03/56/40/222035640.db2.gz ZWNPAIQJFLKWQO-UHFFFAOYSA-N 0 0 388.468 3.086 40 0 GGABRN CC(=O)NC1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000050417821 222001778 /nfs/dbraw/zinc/00/17/78/222001778.db2.gz MZPDZMPDFNGODO-UHFFFAOYSA-N 0 0 382.304 3.465 40 0 GGABRN C[C@@H](C1CC1)N(Cc1nnc2n1c1ccsc1c(=O)n2C)Cc1ccccc1 ZINC000052617931 222005712 /nfs/dbraw/zinc/00/57/12/222005712.db2.gz UBIPWCQOYXMMFF-AWEZNQCLSA-N 0 0 393.516 3.443 40 0 GGABRN COc1ccc(OC)c2c1CN(CC(=O)c1c(C)[nH]c3ccccc31)C[C@@H]2O ZINC000052774857 222007716 /nfs/dbraw/zinc/00/77/16/222007716.db2.gz VHAZPYMHQKCMCZ-SFHVURJKSA-N 0 0 380.444 3.225 40 0 GGABRN COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCc4c5ccc(OC)cc5[nH]c4[C@@H]3C[C@H]12 ZINC000053178267 222007724 /nfs/dbraw/zinc/00/77/24/222007724.db2.gz KXEMQEGRZWUKJS-OVXHWVBHSA-N 0 0 382.460 3.187 40 0 GGABRN C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCc2sccc2C1 ZINC000057766456 222036146 /nfs/dbraw/zinc/03/61/46/222036146.db2.gz TYJCPMGIYKHJRY-BUBBNXEVSA-N 0 0 387.549 3.289 40 0 GGABRN COCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000055111906 222016836 /nfs/dbraw/zinc/01/68/36/222016836.db2.gz RVMWHFLNBKSXNB-AWEZNQCLSA-N 0 0 390.867 3.431 40 0 GGABRN CCOc1ccccc1CN(C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000055268801 222018243 /nfs/dbraw/zinc/01/82/43/222018243.db2.gz XZWUHSKJWMOIDU-UHFFFAOYSA-N 0 0 388.489 3.033 40 0 GGABRN CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000055547501 222021866 /nfs/dbraw/zinc/02/18/66/222021866.db2.gz HEPGRNCYEUQBHU-UHFFFAOYSA-N 0 0 387.288 3.473 40 0 GGABRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cnc2c(c1)c(C)nn2C ZINC000055396287 222022348 /nfs/dbraw/zinc/02/23/48/222022348.db2.gz UIUGREZEQZBYGE-LJQANCHMSA-N 0 0 375.432 3.179 40 0 GGABRN CC(C)CCOCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000058030081 222037000 /nfs/dbraw/zinc/03/70/00/222037000.db2.gz DOKGIUWAJLUIJU-UHFFFAOYSA-N 0 0 382.526 3.108 40 0 GGABRN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000057993105 222037254 /nfs/dbraw/zinc/03/72/54/222037254.db2.gz SVVHMWOIJIEOPA-NSHDSACASA-N 0 0 376.840 3.386 40 0 GGABRN CCN(CC(=O)Nc1cc(C(C)(C)C)no1)CC(=O)Nc1c(F)cccc1F ZINC000058038294 222037908 /nfs/dbraw/zinc/03/79/08/222037908.db2.gz PPSCDKCVRHOWGW-UHFFFAOYSA-N 0 0 394.422 3.149 40 0 GGABRN C[C@H](c1ccccc1)n1cnnc1SCCN1C(=O)c2ccccc2C1=O ZINC000058005115 222038005 /nfs/dbraw/zinc/03/80/05/222038005.db2.gz XKWSXZZVLUMCIT-CQSZACIVSA-N 0 0 378.457 3.276 40 0 GGABRN Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCc1nc(-c2cccs2)no1 ZINC000058114543 222038672 /nfs/dbraw/zinc/03/86/72/222038672.db2.gz KXAJOLPKJCZTSZ-UHFFFAOYSA-N 0 0 391.474 3.081 40 0 GGABRN Cc1cc(NC(=O)CNC(=O)c2ccccc2Cl)n(Cc2ccccc2)n1 ZINC000058081092 222039184 /nfs/dbraw/zinc/03/91/84/222039184.db2.gz KIMNHJFSUYASPV-UHFFFAOYSA-N 0 0 382.851 3.262 40 0 GGABRN Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N(C)CCCCc1ccccc1 ZINC000058114762 222039706 /nfs/dbraw/zinc/03/97/06/222039706.db2.gz YWFDKKMFIYWNKF-UHFFFAOYSA-N 0 0 390.487 3.164 40 0 GGABRN C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(Br)s1 ZINC000058135600 222040833 /nfs/dbraw/zinc/04/08/33/222040833.db2.gz XLLRJPLGAXKQHM-JTQLQIEISA-N 0 0 376.297 3.087 40 0 GGABRN COCCCn1c(=O)[nH]nc1SCC(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000058163040 222042329 /nfs/dbraw/zinc/04/23/29/222042329.db2.gz LGVGXTYYWBKNBH-UHFFFAOYSA-N 0 0 395.484 3.154 40 0 GGABRN CCOC(Cn1cc(C(=O)Nc2cccc(O[C@H](C)CC)c2)nn1)OCC ZINC000058228943 222046930 /nfs/dbraw/zinc/04/69/30/222046930.db2.gz VKTMVENDXKBRFB-CQSZACIVSA-N 0 0 376.457 3.107 40 0 GGABRN CCOC(Cn1cc(C(=O)Nc2cccc(O[C@@H](C)CC)c2)nn1)OCC ZINC000058228945 222048162 /nfs/dbraw/zinc/04/81/62/222048162.db2.gz VKTMVENDXKBRFB-AWEZNQCLSA-N 0 0 376.457 3.107 40 0 GGABRN O=C(CCn1ncc(=O)c2ccccc21)Nc1ccc(OC(F)(F)F)cc1 ZINC000058340561 222049680 /nfs/dbraw/zinc/04/96/80/222049680.db2.gz BZQZTXOBLIHIQO-UHFFFAOYSA-N 0 0 377.322 3.324 40 0 GGABRN CCCOC(=O)c1ccc(NCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 ZINC000058338478 222049745 /nfs/dbraw/zinc/04/97/45/222049745.db2.gz RIRTYTQBDQVLPF-OAHLLOKOSA-N 0 0 395.459 3.429 40 0 GGABRN Cc1sc(=O)n(CC(=O)N2CCn3cccc3[C@H]2C)c1-c1ccc(F)cc1 ZINC000058292317 222049849 /nfs/dbraw/zinc/04/98/49/222049849.db2.gz UNCZXRZVXVQEDL-CYBMUJFWSA-N 0 0 385.464 3.429 40 0 GGABRN CCOc1ccc(CN(C)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000058313500 222049903 /nfs/dbraw/zinc/04/99/03/222049903.db2.gz BKYGKDYXSCLPDQ-UHFFFAOYSA-N 0 0 388.489 3.033 40 0 GGABRN C[C@@H]1CN(C(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)C[C@@H](C)O1 ZINC000058391305 222050661 /nfs/dbraw/zinc/05/06/61/222050661.db2.gz IJGZBLZRJJBDJU-GPCCPHFNSA-N 0 0 388.411 3.144 40 0 GGABRN CC(=O)c1c(C)[nH]c(-c2csc(-c3ccc(S(N)(=O)=O)cc3)n2)c1C ZINC000058356383 222051405 /nfs/dbraw/zinc/05/14/05/222051405.db2.gz BFXZABRDOINGRP-UHFFFAOYSA-N 0 0 375.475 3.272 40 0 GGABRN Cc1cc(NC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)n(C)n1 ZINC000058504776 222053692 /nfs/dbraw/zinc/05/36/92/222053692.db2.gz ZTKNQFCRDSBIMC-UHFFFAOYSA-N 0 0 399.472 3.365 40 0 GGABRN CC[C@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1cccc(Cl)c1 ZINC000058690424 222055918 /nfs/dbraw/zinc/05/59/18/222055918.db2.gz HMRRUQADJFGGGY-INIZCTEOSA-N 0 0 385.851 3.001 40 0 GGABRN CCCN(C(=O)CCN1C(=O)CCC1=O)[C@@H](C)c1ccccc1Br ZINC000059120264 222055979 /nfs/dbraw/zinc/05/59/79/222055979.db2.gz TVUHTTPUBWEOCX-ZDUSSCGKSA-N 0 0 395.297 3.288 40 0 GGABRN O=C(Nc1ccc(OCC(F)(F)F)nc1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000058952012 222056203 /nfs/dbraw/zinc/05/62/03/222056203.db2.gz XOZDURZVIVZEPO-GFCCVEGCSA-N 0 0 379.338 3.014 40 0 GGABRN CC(C)N(C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C)c1ccccc1 ZINC000059339536 222056581 /nfs/dbraw/zinc/05/65/81/222056581.db2.gz LVWVJHPFAINACU-HSZRJFAPSA-N 0 0 391.471 3.427 40 0 GGABRN COc1ccc(NC(=O)[C@H](C)S(=O)(=O)C(C)C)cc1Cc1ccccc1 ZINC000059893758 222057377 /nfs/dbraw/zinc/05/73/77/222057377.db2.gz WPWRUFFOSSYQTN-HNNXBMFYSA-N 0 0 375.490 3.436 40 0 GGABRN CCOc1c(Cl)cc(CNC(=O)Cc2cn3ccsc3n2)cc1OC ZINC000059781324 222057439 /nfs/dbraw/zinc/05/74/39/222057439.db2.gz PUVYNSFFBIOAHP-UHFFFAOYSA-N 0 0 379.869 3.315 40 0 GGABRN COC(=O)c1ccc(C)c(S(=O)(=O)NCc2cccc(OC(C)C)c2)c1 ZINC000059829569 222057473 /nfs/dbraw/zinc/05/74/73/222057473.db2.gz XHXVIJNYYQVAJS-UHFFFAOYSA-N 0 0 377.462 3.047 40 0 GGABRN CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1nccc(C(F)(F)F)n1 ZINC000059577493 222057544 /nfs/dbraw/zinc/05/75/44/222057544.db2.gz XYJCELWTINJPGY-NSHDSACASA-N 0 0 395.303 3.390 40 0 GGABRN CC[C@]1(C)NC(=O)N(CC(=O)N(Cc2cccs2)c2ccc(F)cc2)C1=O ZINC000059781563 222057747 /nfs/dbraw/zinc/05/77/47/222057747.db2.gz LWIWEMWAKDRWHG-IBGZPJMESA-N 0 0 389.452 3.141 40 0 GGABRN CCCOc1ncccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(CC)cc2)C1 ZINC000060092119 222058031 /nfs/dbraw/zinc/05/80/31/222058031.db2.gz HPSLZTFJDCZLNL-SFHVURJKSA-N 0 0 381.476 3.102 40 0 GGABRN CN(C)C(=O)c1cccc(CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)c1 ZINC000059925118 222058299 /nfs/dbraw/zinc/05/82/99/222058299.db2.gz BOQDNHTUUIICSS-FQEVSTJZSA-N 0 0 385.851 3.009 40 0 GGABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)cc1 ZINC000065223578 222112646 /nfs/dbraw/zinc/11/26/46/222112646.db2.gz GUYYSGUOZNCEIS-UHFFFAOYSA-N 0 0 388.489 3.477 40 0 GGABRN Cc1ccc(N2C[C@H](C(=O)NCC(=O)Nc3ccc(C)cc3Cl)CC2=O)cc1 ZINC000060204125 222058866 /nfs/dbraw/zinc/05/88/66/222058866.db2.gz AJOFDJYITZYVAC-OAHLLOKOSA-N 0 0 399.878 3.065 40 0 GGABRN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Nc2cc(Cl)ccc2O)C1 ZINC000060381931 222059203 /nfs/dbraw/zinc/05/92/03/222059203.db2.gz AACZYVUAQGVFEN-INIZCTEOSA-N 0 0 387.823 3.182 40 0 GGABRN CCC[C@H]1CCc2nc(NC(=O)[C@@H]3CC(=O)N(CC(F)(F)F)C3)sc2C1 ZINC000060309218 222059297 /nfs/dbraw/zinc/05/92/97/222059297.db2.gz IIIMINNOSHEJNK-WDEREUQCSA-N 0 0 389.443 3.397 40 0 GGABRN CCCS(=O)(=O)c1ccccc1C(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000060361991 222059386 /nfs/dbraw/zinc/05/93/86/222059386.db2.gz FKWCKTOECZMYEP-UHFFFAOYSA-N 0 0 378.475 3.098 40 0 GGABRN NC(=O)CC[C@H]1CCCN(C(=O)c2cc3cc(Br)ccc3o2)C1 ZINC000060373822 222059531 /nfs/dbraw/zinc/05/95/31/222059531.db2.gz YRPWUGISNQTVCJ-LLVKDONJSA-N 0 0 379.254 3.313 40 0 GGABRN CCN(CC)C(=O)c1ccc(NC(=O)[C@H](C(C)C)N2CCCC2=O)cc1Cl ZINC000060291481 222059818 /nfs/dbraw/zinc/05/98/18/222059818.db2.gz FMWTVSLHERITSI-SFHVURJKSA-N 0 0 393.915 3.408 40 0 GGABRN CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)C1=NN(C)C(=O)CC1 ZINC000060273601 222059840 /nfs/dbraw/zinc/05/98/40/222059840.db2.gz LAAFIZJEKBOASP-UHFFFAOYSA-N 0 0 379.416 3.077 40 0 GGABRN CN(C(=O)CNc1ccccc1CS(C)(=O)=O)[C@@H]1CCCc2ccccc21 ZINC000060212620 222060031 /nfs/dbraw/zinc/06/00/31/222060031.db2.gz KUPPXRAIMGAXMQ-HXUWFJFHSA-N 0 0 386.517 3.179 40 0 GGABRN COc1cccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1OC ZINC000061240651 222060668 /nfs/dbraw/zinc/06/06/68/222060668.db2.gz PDNYGXIZNPPCLG-UHFFFAOYSA-N 0 0 391.427 3.281 40 0 GGABRN C[C@H](CCc1ccccc1)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000061341986 222061091 /nfs/dbraw/zinc/06/10/91/222061091.db2.gz ZAHSLULYSZGYDR-CYBMUJFWSA-N 0 0 380.897 3.463 40 0 GGABRN Cn1c(SCC(=O)Oc2ccccc2)nnc1-c1sc2ncccc2c1N ZINC000064370057 222070177 /nfs/dbraw/zinc/07/01/77/222070177.db2.gz PMOZQWDBMNRVFA-UHFFFAOYSA-N 0 0 397.485 3.372 40 0 GGABRN Cc1nn(C(F)F)c(C)c1CC(=O)N(C)CCCc1nc2ccccc2[nH]1 ZINC000065899615 222135583 /nfs/dbraw/zinc/13/55/83/222135583.db2.gz YTEISWNGYNXIHR-UHFFFAOYSA-N 0 0 375.423 3.405 40 0 GGABRN COc1ccc(Br)cc1S(=O)(=O)NCCSC(C)(C)C ZINC000066936295 222140072 /nfs/dbraw/zinc/14/00/72/222140072.db2.gz GZSQHOKUPUAUSU-UHFFFAOYSA-N 0 0 382.345 3.268 40 0 GGABRN CC(C)(C)SCCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000066739146 222140414 /nfs/dbraw/zinc/14/04/14/222140414.db2.gz QADIVENGYDNMHV-UHFFFAOYSA-N 0 0 384.567 3.123 40 0 GGABRN CN(C(=O)CS(=O)(=O)Cc1ccc(Br)s1)c1ccccc1 ZINC000067651332 222151461 /nfs/dbraw/zinc/15/14/61/222151461.db2.gz CILRAUUKKKCSOJ-UHFFFAOYSA-N 0 0 388.308 3.088 40 0 GGABRN O=C(Cc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000067787401 222159080 /nfs/dbraw/zinc/15/90/80/222159080.db2.gz ADCIQPHQZPNBOM-UHFFFAOYSA-N 0 0 378.881 3.306 40 0 GGABRN CC(C)(C)CC(=O)N[C@H]1C[C@@H](Cc2cc(CN3CCOCC3)on2)C1(C)C ZINC000067890058 222164674 /nfs/dbraw/zinc/16/46/74/222164674.db2.gz GWJDGDJUAOZQMF-QAPCUYQASA-N 0 0 377.529 3.016 40 0 biogenic,in-vitro GGABRN CC1(C)[C@H](Cc2cc(CN3CCOCC3)on2)C[C@@H]1NC(=O)Nc1ccccc1 ZINC000067890081 222165411 /nfs/dbraw/zinc/16/54/11/222165411.db2.gz XJVIDCVWTQZWHN-UZLBHIALSA-N 0 0 398.507 3.286 40 0 biogenic,in-vitro GGABRN COc1ccc(-c2cc(CC3(NC(=O)Nc4ccccc4)COC3)no2)cc1 ZINC000067898473 222166770 /nfs/dbraw/zinc/16/67/70/222166770.db2.gz OMABVJUQMGYGJV-UHFFFAOYSA-N 0 0 379.416 3.483 40 0 biogenic,in-vitro GGABRN COc1cc2c(c(OC)c1OC)OC[C@H]1c3cc(O)c(OC)c(OC)c3O[C@@H]21 ZINC000067913459 222167518 /nfs/dbraw/zinc/16/75/18/222167518.db2.gz YBVIOLRRXMAGAE-FZMZJTMJSA-N 0 0 390.388 3.045 40 0 biogenic,in-vitro GGABRN COc1ccc(CNC2(Cc3cc(COc4ccccc4)on3)COC2)cc1 ZINC000067898138 222168020 /nfs/dbraw/zinc/16/80/20/222168020.db2.gz VJFBFEWBPSAPQU-UHFFFAOYSA-N 0 0 380.444 3.364 40 0 biogenic,in-vitro GGABRN COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1OC ZINC000068300461 222170596 /nfs/dbraw/zinc/17/05/96/222170596.db2.gz PLVRRHQMXVWDKR-UHFFFAOYSA-N 0 0 376.478 3.495 40 0 GGABRN COc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(F)ccc2F)cc1 ZINC000068112387 222170771 /nfs/dbraw/zinc/17/07/71/222170771.db2.gz GQYYJGPBACBFPQ-MRXNPFEDSA-N 0 0 378.400 3.127 40 0 GGABRN CCOC(=O)[C@H](CC(=O)c1ccccc1)NCCc1ccc(OC)c(OC)c1 ZINC000068606074 222171009 /nfs/dbraw/zinc/17/10/09/222171009.db2.gz SKMLOBYVHJTTIN-SFHVURJKSA-N 0 0 385.460 3.041 40 0 GGABRN Brc1cc2c(cc1-c1nnc3nc(-c4ccccc4)cnn31)OCO2 ZINC000068562011 222171248 /nfs/dbraw/zinc/17/12/48/222171248.db2.gz CCQRYKDKFNSYQV-UHFFFAOYSA-N 0 0 396.204 3.345 40 0 GGABRN CC(C)[C@H]1C(=O)N(CC(=O)OCc2ccccc2)C(=O)N1Cc1ccccc1 ZINC000068606552 222171424 /nfs/dbraw/zinc/17/14/24/222171424.db2.gz TYGRVVDPEXXXDD-FQEVSTJZSA-N 0 0 380.444 3.219 40 0 GGABRN O=C(Nc1nnc(C2CC2)s1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000069352293 222173343 /nfs/dbraw/zinc/17/33/43/222173343.db2.gz VCHCQLUORHDONG-JTQLQIEISA-N 0 0 396.394 3.426 40 0 GGABRN NC(=O)COc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 ZINC000069738959 222174185 /nfs/dbraw/zinc/17/41/85/222174185.db2.gz GABURBIBRLIPOA-UHFFFAOYSA-N 0 0 382.416 3.235 40 0 GGABRN Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)Nc4ccccc4F)C3)ncn2)n1 ZINC000070656053 222176519 /nfs/dbraw/zinc/17/65/19/222176519.db2.gz BVMCBCNRFLUVPN-MRXNPFEDSA-N 0 0 394.454 3.273 40 0 GGABRN Cc1cccc(C2(CNC(=O)[C@H]3CCCCN3S(C)(=O)=O)CCCCC2)c1 ZINC000071932282 222200204 /nfs/dbraw/zinc/20/02/04/222200204.db2.gz BXNZWMLUEMQWML-LJQANCHMSA-N 0 0 392.565 3.127 40 0 GGABRN CC(C)(CNc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1Cl)C(N)=O ZINC000071955543 222200313 /nfs/dbraw/zinc/20/03/13/222200313.db2.gz WGNDFSIUIPBTCU-UHFFFAOYSA-N 0 0 389.670 3.116 40 0 GGABRN COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc(N)n2)cc1OC ZINC000071978302 222201653 /nfs/dbraw/zinc/20/16/53/222201653.db2.gz KDJDAXCNTHSBNP-UHFFFAOYSA-N 0 0 397.431 3.436 40 0 GGABRN COc1ccc(OC)c(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc(N)n2)c1 ZINC000071977663 222201720 /nfs/dbraw/zinc/20/17/20/222201720.db2.gz LXJVNVQTKAVHGM-UHFFFAOYSA-N 0 0 397.431 3.436 40 0 GGABRN CCC[C@H](NC(=O)c1ccc(Cl)nc1)C(=O)N1CCc2sccc2C1 ZINC000072088886 222205933 /nfs/dbraw/zinc/20/59/33/222205933.db2.gz VELRSKAQSOAJMT-AWEZNQCLSA-N 0 0 377.897 3.280 40 0 GGABRN COc1ccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000072241385 222218903 /nfs/dbraw/zinc/21/89/03/222218903.db2.gz FLMPSSYSIPYVQR-RBUKOAKNSA-N 0 0 388.851 3.194 40 0 GGABRN CC(C)OCc1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000072264792 222218918 /nfs/dbraw/zinc/21/89/18/222218918.db2.gz VHFPRMLQLURZJV-UHFFFAOYSA-N 0 0 388.533 3.118 40 0 GGABRN CC(C)CN1C(=O)CO[C@H](c2ccc(NC(=O)Nc3ccccc3)cc2)[C@H]1CO ZINC000072321146 222226665 /nfs/dbraw/zinc/22/66/65/222226665.db2.gz WJKGHJJERZAKFX-TZIWHRDSSA-N 0 0 397.475 3.247 40 0 biogenic,in-vitro GGABRN Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)Cn3c(=O)oc4ccccc43)cc2)n1 ZINC000072324318 222227107 /nfs/dbraw/zinc/22/71/07/222227107.db2.gz JEUWRMNJDSNOLF-OAHLLOKOSA-N 0 0 390.443 3.216 40 0 GGABRN C[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)CCc1cn(C)c2ccccc12 ZINC000072324340 222227146 /nfs/dbraw/zinc/22/71/46/222227146.db2.gz LMWUZLWSENGUHQ-HNNXBMFYSA-N 0 0 377.444 3.224 40 0 GGABRN COc1ccccc1-c1cc(C(=O)N2C[C@H](C)N(Cc3ccco3)C[C@@H]2C)[nH]n1 ZINC000072324259 222227321 /nfs/dbraw/zinc/22/73/21/222227321.db2.gz FLFMAYIZRWYQJQ-HOTGVXAUSA-N 0 0 394.475 3.413 40 0 GGABRN CC[C@H](Cn1nc(-c2ccc(OC)cc2)ccc1=O)NC(=O)C1CCCCC1 ZINC000072324138 222227910 /nfs/dbraw/zinc/22/79/10/222227910.db2.gz QARDDTKIJKGUOP-GOSISDBHSA-N 0 0 383.492 3.394 40 0 GGABRN C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCc1ccncc1)[C@@]1(C2)Nc2ccccc2C(=O)N1 ZINC000072326970 222228571 /nfs/dbraw/zinc/22/85/71/222228571.db2.gz YTBGCPNDLYAMDX-GFHCSAFJSA-N 0 0 390.487 3.076 40 0 GGABRN COc1ccc(OC)c(CC(=O)N2CCC[C@H](c3ccnc4cc(C)nn43)C2)c1 ZINC000072335220 222229738 /nfs/dbraw/zinc/22/97/38/222229738.db2.gz IDLCTSXSWZMPHE-INIZCTEOSA-N 0 0 394.475 3.004 40 0 GGABRN Cc1ccc(-c2cc(C(=O)N3C[C@H]4[C@H](CC[C@]4(O)c4ccc(F)cc4)C3)[nH]n2)o1 ZINC000072339750 222229832 /nfs/dbraw/zinc/22/98/32/222229832.db2.gz ZBRVQKZATQKALL-UVQUFPMPSA-N 0 0 395.434 3.487 40 0 GGABRN CCc1nn(CC(=O)N[C@@H](C)CCc2ccco2)c(=O)c2cc3ccsc3n21 ZINC000072335249 222230054 /nfs/dbraw/zinc/23/00/54/222230054.db2.gz BKHQZKINTPXRRS-ZDUSSCGKSA-N 0 0 398.488 3.004 40 0 GGABRN CCCSc1ncc(CN2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1 ZINC000072339914 222230175 /nfs/dbraw/zinc/23/01/75/222230175.db2.gz MURHEGQLYGLOKL-UHFFFAOYSA-N 0 0 394.504 3.095 40 0 GGABRN O=C(NCc1cccc(F)c1)[C@H]1C[C@H]2CC[C@@H]1C[C@]21NC(=O)c2ccccc2O1 ZINC000072339067 222230236 /nfs/dbraw/zinc/23/02/36/222230236.db2.gz SOWYFCNXQFDNPO-ZAEZVXHUSA-N 0 0 394.446 3.397 40 0 GGABRN O=C(COc1ccccc1)N1CCC(n2nc(-c3cccs3)ccc2=O)CC1 ZINC000072335427 222230266 /nfs/dbraw/zinc/23/02/66/222230266.db2.gz FAASIGKQTZXJED-UHFFFAOYSA-N 0 0 395.484 3.214 40 0 GGABRN Cc1cc(-c2cc(=O)n(CC(=O)NC3CCCC3)nc2-c2ccc(C)s2)on1 ZINC000072337623 222230322 /nfs/dbraw/zinc/23/03/22/222230322.db2.gz YPUATWPSRWASEI-UHFFFAOYSA-N 0 0 398.488 3.302 40 0 GGABRN CCn1cc(C(=O)N2CCC[C@H](c3nc(C)ncc3-c3ccncc3)C2)cn1 ZINC000072334728 222230639 /nfs/dbraw/zinc/23/06/39/222230639.db2.gz AJLBIZCEVFSENB-KRWDZBQOSA-N 0 0 376.464 3.083 40 0 GGABRN C[C@]12CC[C@H](C[C@@H]1C(=O)NCc1cccnc1)[C@@]1(C2)NC(=O)c2ccccc2O1 ZINC000072338988 222230884 /nfs/dbraw/zinc/23/08/84/222230884.db2.gz FBOMHAVJXKWGTB-ZDZLMVPKSA-N 0 0 391.471 3.043 40 0 GGABRN C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCc1cccs1)[C@]1(C2)NC(=O)c2cccnc2N1 ZINC000072342616 222231236 /nfs/dbraw/zinc/23/12/36/222231236.db2.gz VECUBBRPFNSCKN-VKDXFARRSA-N 0 0 396.516 3.137 40 0 GGABRN COc1cc(CN2C[C@@H]3C(c4ccc(C)cc4)=NO[C@@H]3C2)cc(OC)c1OC ZINC000072343252 222231254 /nfs/dbraw/zinc/23/12/54/222231254.db2.gz MCQBHAOIUWUGDG-FXAWDEMLSA-N 0 0 382.460 3.256 40 0 GGABRN COc1cc(-c2nc3cnccn3c2NC[C@@H]2CCCO2)cc(OC)c1OC ZINC000072341907 222231976 /nfs/dbraw/zinc/23/19/76/222231976.db2.gz VAYLKJSVYFESII-AWEZNQCLSA-N 0 0 384.436 3.013 40 0 GGABRN CC(=O)Nc1nc(C(=O)N2CCC(c3nc(C)c(C(C)=O)s3)CC2)cs1 ZINC000072340162 222231983 /nfs/dbraw/zinc/23/19/83/222231983.db2.gz MNMNPJRBXQFETQ-UHFFFAOYSA-N 0 0 392.506 3.089 40 0 GGABRN C[C@]12CC[C@H](C[C@@H]1C(=O)NCc1cccs1)[C@]1(C2)NC(=O)c2cccnc2N1 ZINC000072342617 222232033 /nfs/dbraw/zinc/23/20/33/222232033.db2.gz VECUBBRPFNSCKN-LOFXOBHGSA-N 0 0 396.516 3.137 40 0 GGABRN COCCOc1ccc(CN2C[C@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)cc1OC ZINC000072343290 222232651 /nfs/dbraw/zinc/23/26/51/222232651.db2.gz FSSMHCGNQLGSIG-DENIHFKCSA-N 0 0 396.487 3.264 40 0 GGABRN COCC(=O)N1CCC[C@H](c2nc(N)ncc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000072346040 222232857 /nfs/dbraw/zinc/23/28/57/222232857.db2.gz OOUVCTAVZUVTJL-ZDUSSCGKSA-N 0 0 394.397 3.097 40 0 GGABRN CN(C)C(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)C2CC2)CC1 ZINC000072345162 222232877 /nfs/dbraw/zinc/23/28/77/222232877.db2.gz CSMLAGQBGDNNMR-UHFFFAOYSA-N 0 0 391.515 3.398 40 0 GGABRN Cc1cnc(C(=O)NC2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)cn1 ZINC000072346376 222233194 /nfs/dbraw/zinc/23/31/94/222233194.db2.gz GSWWXVYNWQKCKP-UHFFFAOYSA-N 0 0 397.479 3.446 40 0 GGABRN COc1ccc(C2(C(=O)N[C@H](c3nccn3C)c3ccccc3OC)CC2)cc1 ZINC000072346349 222233201 /nfs/dbraw/zinc/23/32/01/222233201.db2.gz IMEHEWHHMYEMOX-FQEVSTJZSA-N 0 0 391.471 3.375 40 0 GGABRN NC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000072345183 222233455 /nfs/dbraw/zinc/23/34/55/222233455.db2.gz HHJSVQXZVCSWQL-GOSISDBHSA-N 0 0 398.528 3.231 40 0 GGABRN COc1ccc(C2(C(=O)N[C@@H](c3nccn3C)c3ccccc3OC)CC2)cc1 ZINC000072346348 222233462 /nfs/dbraw/zinc/23/34/62/222233462.db2.gz IMEHEWHHMYEMOX-HXUWFJFHSA-N 0 0 391.471 3.375 40 0 GGABRN O=C(N1CCC[C@H](O)C1)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 ZINC000072344839 222233579 /nfs/dbraw/zinc/23/35/79/222233579.db2.gz WEJMQODWGVJJNC-NRFANRHFSA-N 0 0 380.488 3.071 40 0 GGABRN CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)COC)CC1 ZINC000072345103 222233735 /nfs/dbraw/zinc/23/37/35/222233735.db2.gz CQWHBAXFRPROCI-UHFFFAOYSA-N 0 0 394.515 3.287 40 0 GGABRN CCCn1ncc(C(=O)N2CC=C(n3c(C)nc(=O)c4ccccc43)CC2)c1C ZINC000072348225 222234994 /nfs/dbraw/zinc/23/49/94/222234994.db2.gz DMTUSVLGWRDSHH-UHFFFAOYSA-N 0 0 391.475 3.007 40 0 GGABRN CN(C)S(=O)(=O)N1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072349323 222236267 /nfs/dbraw/zinc/23/62/67/222236267.db2.gz YJDRTUUINUIOTG-MRXNPFEDSA-N 0 0 393.940 3.312 40 0 GGABRN COc1ccccc1Cc1cccc(C2CCN(C(=O)c3cnccn3)CC2)n1 ZINC000072349221 222236641 /nfs/dbraw/zinc/23/66/41/222236641.db2.gz CKJVEQJFDBHDFO-UHFFFAOYSA-N 0 0 388.471 3.491 40 0 GGABRN COc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)c4cnccn4)C3)n2)c1 ZINC000072349219 222236721 /nfs/dbraw/zinc/23/67/21/222236721.db2.gz RAZRGZVUIGRESE-GOSISDBHSA-N 0 0 388.471 3.491 40 0 GGABRN CN(C)S(=O)(=O)N1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072349320 222236818 /nfs/dbraw/zinc/23/68/18/222236818.db2.gz XGCXKLMOSLOHNC-INIZCTEOSA-N 0 0 393.940 3.312 40 0 GGABRN Cc1ccccc1Cc1cccc(C2CCN(S(=O)(=O)c3cn[nH]c3)CC2)n1 ZINC000072350420 222237330 /nfs/dbraw/zinc/23/73/30/222237330.db2.gz ZWVOCNVQLTVTKC-UHFFFAOYSA-N 0 0 396.516 3.272 40 0 GGABRN CCc1nccn1-c1nccnc1C1CCN(C(=O)COc2ccccc2)CC1 ZINC000072350594 222237349 /nfs/dbraw/zinc/23/73/49/222237349.db2.gz MGTANLLQMZTLNU-UHFFFAOYSA-N 0 0 391.475 3.010 40 0 GGABRN NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)C2CCCCC2)c1 ZINC000072354680 222237373 /nfs/dbraw/zinc/23/73/73/222237373.db2.gz FALDOIAESSYSMD-SFHVURJKSA-N 0 0 393.491 3.069 40 0 GGABRN CNC(=O)c1sc2ccccc2c1[C@H]1CCN(CC(=O)NC2CCCCC2)C1 ZINC000072352425 222237399 /nfs/dbraw/zinc/23/73/99/222237399.db2.gz KEHIRRKYUHDVGR-HNNXBMFYSA-N 0 0 399.560 3.499 40 0 GGABRN O=C1NCCN(Cc2cccc(F)c2)[C@@H]1Cc1cccc(-c2ccncc2)c1 ZINC000072351649 222237684 /nfs/dbraw/zinc/23/76/84/222237684.db2.gz BAQOTVAGCACQIZ-JOCHJYFZSA-N 0 0 375.447 3.431 40 0 GGABRN Cc1cc(Cc2ccccc2F)cc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 ZINC000072353878 222237694 /nfs/dbraw/zinc/23/76/94/222237694.db2.gz RSISNGQMMVBGBO-GOSISDBHSA-N 0 0 391.512 3.106 40 0 GGABRN O=S(=O)(c1cn[nH]c1)N1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000072350414 222237707 /nfs/dbraw/zinc/23/77/07/222237707.db2.gz SYQHTQVBIVUVRK-OAHLLOKOSA-N 0 0 386.452 3.179 40 0 GGABRN NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)CC2CCCC2)c1 ZINC000072354846 222237743 /nfs/dbraw/zinc/23/77/43/222237743.db2.gz QKKPESNOHWIRPK-SFHVURJKSA-N 0 0 393.491 3.069 40 0 GGABRN CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)C(C)C)C3)c2)cn1 ZINC000072353609 222237854 /nfs/dbraw/zinc/23/78/54/222237854.db2.gz DJPMUBGCLNCUAB-QGZVFWFLSA-N 0 0 380.492 3.174 40 0 GGABRN Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN2C(=O)Cc2ccccn2)n1 ZINC000072354785 222238018 /nfs/dbraw/zinc/23/80/18/222238018.db2.gz DZCTXIIJJCIALQ-SFHVURJKSA-N 0 0 377.423 3.166 40 0 GGABRN Nc1ccc(C(=O)N2CCC[C@H]2c2ccc(Nc3ccc(F)cn3)cn2)cn1 ZINC000072353145 222238027 /nfs/dbraw/zinc/23/80/27/222238027.db2.gz PZHOIQSVSWHEKW-KRWDZBQOSA-N 0 0 378.411 3.314 40 0 GGABRN Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1ccc(Nc2ncccn2)cn1 ZINC000072353168 222238033 /nfs/dbraw/zinc/23/80/33/222238033.db2.gz NELNHDXSQRLULB-GOSISDBHSA-N 0 0 378.436 3.126 40 0 GGABRN Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN2CC(=O)Nc2nccs2)n1 ZINC000072354670 222238104 /nfs/dbraw/zinc/23/81/04/222238104.db2.gz MDKCMZCUPUKNHY-HNNXBMFYSA-N 0 0 398.467 3.097 40 0 GGABRN Cc1cccc(Cc2cccc([C@@H]3CCCN(S(=O)(=O)c4cn[nH]c4)C3)n2)c1 ZINC000072350421 222238190 /nfs/dbraw/zinc/23/81/90/222238190.db2.gz VHABYISKEJSMRF-GOSISDBHSA-N 0 0 396.516 3.272 40 0 GGABRN CC(=O)NCC(=O)N1CCC[C@@H](c2cc(Cc3cccc(Cl)c3)cc(C)n2)C1 ZINC000072354076 222238353 /nfs/dbraw/zinc/23/83/53/222238353.db2.gz XSFINNADJMJYNN-LJQANCHMSA-N 0 0 399.922 3.476 40 0 GGABRN CN(C)C(=O)c1cc([C@@H]2CN(C(=O)c3ccccc3)CCO2)nc2ccccc21 ZINC000072352690 222238371 /nfs/dbraw/zinc/23/83/71/222238371.db2.gz JIUGPAKHZVQYNV-NRFANRHFSA-N 0 0 389.455 3.150 40 0 GGABRN COc1ccc(CCC(=O)N2CCC[C@@H](c3nccnc3-n3ccnc3)C2)cc1 ZINC000072350625 222238503 /nfs/dbraw/zinc/23/85/03/222238503.db2.gz LELIOMZZQGOBLZ-GOSISDBHSA-N 0 0 391.475 3.010 40 0 GGABRN COc1cccc(-c2cncc([C@H]3CCCN(C(=O)Cc4ccccn4)C3)n2)c1 ZINC000072359598 222239098 /nfs/dbraw/zinc/23/90/98/222239098.db2.gz YKVWJLGDBSQFBH-SFHVURJKSA-N 0 0 388.471 3.496 40 0 GGABRN O=C(c1sc2ccccc2c1[C@@H]1CCN(c2cnccn2)C1)N1CCOCC1 ZINC000072356027 222239251 /nfs/dbraw/zinc/23/92/51/222239251.db2.gz MPWNHJRRWCGMLT-OAHLLOKOSA-N 0 0 394.500 3.158 40 0 GGABRN Cc1ccc(Cc2cccc([C@@H]3CCCN3S(=O)(=O)c3cn(C)cn3)n2)cc1 ZINC000072358242 222239352 /nfs/dbraw/zinc/23/93/52/222239352.db2.gz MNFOYFPPSDWQQY-FQEVSTJZSA-N 0 0 396.516 3.240 40 0 GGABRN O=C(CN1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1)N1CCOCC1 ZINC000072357635 222239420 /nfs/dbraw/zinc/23/94/20/222239420.db2.gz QZDTZXZUGRVGTD-NRFANRHFSA-N 0 0 399.922 3.322 40 0 GGABRN O=C(Cc1c[nH]c2ccccc12)N1CCC(c2cncc(-n3ccnc3)n2)CC1 ZINC000072355356 222239741 /nfs/dbraw/zinc/23/97/41/222239741.db2.gz BUUDFDVGUATSLE-UHFFFAOYSA-N 0 0 386.459 3.092 40 0 GGABRN COc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)Cc3ccncc3)C2)c1 ZINC000072358841 222239784 /nfs/dbraw/zinc/23/97/84/222239784.db2.gz RMTXQXCMKOGBFG-LJQANCHMSA-N 0 0 388.471 3.496 40 0 GGABRN CN(C)S(=O)(=O)N1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1 ZINC000072357881 222239910 /nfs/dbraw/zinc/23/99/10/222239910.db2.gz HVZWXSQKMIBTPA-SFHVURJKSA-N 0 0 379.913 3.269 40 0 GGABRN COc1ccc(CCC(=O)N2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)cc1 ZINC000072355372 222239961 /nfs/dbraw/zinc/23/99/61/222239961.db2.gz UXIQHSLHXKKSJF-SFHVURJKSA-N 0 0 391.475 3.010 40 0 GGABRN Cc1nc(-c2cnc(C)nc2[C@H]2CCCN(C(=O)c3ccccc3F)C2)no1 ZINC000072356437 222240095 /nfs/dbraw/zinc/24/00/95/222240095.db2.gz FPCJQIUDBFKSLQ-AWEZNQCLSA-N 0 0 381.411 3.302 40 0 GGABRN Cc1cccc(Nc2cc([C@H]3CCCN(S(=O)(=O)C(C)C)C3)nc(C)n2)n1 ZINC000072363650 222240403 /nfs/dbraw/zinc/24/04/03/222240403.db2.gz KHNOPHNJYLGSRO-INIZCTEOSA-N 0 0 389.525 3.150 40 0 GGABRN COc1ccccc1Oc1nccnc1C1CCN(Cc2nccn2C)CC1 ZINC000072362778 222240417 /nfs/dbraw/zinc/24/04/17/222240417.db2.gz SQGSUDHBBAZQBN-UHFFFAOYSA-N 0 0 379.464 3.391 40 0 GGABRN COc1cccc(Oc2cncc([C@@H]3CCCN(Cc4cncn4C)C3)n2)c1 ZINC000072363166 222240447 /nfs/dbraw/zinc/24/04/47/222240447.db2.gz IVUURZPATGUUEQ-MRXNPFEDSA-N 0 0 379.464 3.391 40 0 GGABRN O=C(Cn1cccn1)N1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1 ZINC000072363088 222240519 /nfs/dbraw/zinc/24/05/19/222240519.db2.gz MMECUTRQJWFDJV-OAHLLOKOSA-N 0 0 381.411 3.011 40 0 GGABRN Cc1nc2cccnc2n1[C@@H]1CCN(C(=O)c2cc3ccc(N(C)C)cc3[nH]2)C1 ZINC000072366036 222240538 /nfs/dbraw/zinc/24/05/38/222240538.db2.gz DFDAMTIKQAJXCN-QGZVFWFLSA-N 0 0 388.475 3.374 40 0 GGABRN COc1ccccc1Oc1nccnc1[C@@H]1CCCN(Cc2nccn2C)C1 ZINC000072362774 222240550 /nfs/dbraw/zinc/24/05/50/222240550.db2.gz QPGXTCCJYIAZMR-MRXNPFEDSA-N 0 0 379.464 3.391 40 0 GGABRN COc1cccc(Oc2nccnc2[C@H]2CCCN(C(=O)c3cnccn3)C2)c1 ZINC000072362139 222240596 /nfs/dbraw/zinc/24/05/96/222240596.db2.gz GJCKVHVXJGLFAG-HNNXBMFYSA-N 0 0 391.431 3.087 40 0 GGABRN Cc1cc(Oc2ccccc2)nc([C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)n1 ZINC000072362752 222240627 /nfs/dbraw/zinc/24/06/27/222240627.db2.gz VAYLHQRNJDAWFL-MRXNPFEDSA-N 0 0 377.448 3.331 40 0 GGABRN Cc1cnc(C(=O)N2CCC[C@H](c3nccnc3Oc3ccccc3)C2)cn1 ZINC000072362488 222240641 /nfs/dbraw/zinc/24/06/41/222240641.db2.gz JCSAIIIANPSQIV-INIZCTEOSA-N 0 0 375.432 3.387 40 0 GGABRN COc1ccc(Oc2cncc(C3CCN(C(=O)c4ccnn4C)CC3)n2)cc1 ZINC000072362800 222240646 /nfs/dbraw/zinc/24/06/46/222240646.db2.gz MAPJBDZRVVWZPI-UHFFFAOYSA-N 0 0 393.447 3.031 40 0 GGABRN COc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)c3cnccn3)C2)cc1 ZINC000072362134 222240688 /nfs/dbraw/zinc/24/06/88/222240688.db2.gz JRRBCVCNEPVSBH-OAHLLOKOSA-N 0 0 391.431 3.087 40 0 GGABRN Cc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4nccn4C)C3)n2)c1 ZINC000072363137 222240745 /nfs/dbraw/zinc/24/07/45/222240745.db2.gz KNFBNAJFHKEKNH-MRXNPFEDSA-N 0 0 377.448 3.331 40 0 GGABRN COc1ccccc1Oc1nccnc1C1CCN(Cc2cncn2C)CC1 ZINC000072363155 222240793 /nfs/dbraw/zinc/24/07/93/222240793.db2.gz HOLBDFWRFVTQBZ-UHFFFAOYSA-N 0 0 379.464 3.391 40 0 GGABRN COc1ccc(Oc2nccnc2[C@H]2CCCN(C(=O)c3ccnn3C)C2)cc1 ZINC000072362790 222240833 /nfs/dbraw/zinc/24/08/33/222240833.db2.gz UYHXNKXUTORGPT-HNNXBMFYSA-N 0 0 393.447 3.031 40 0 GGABRN COc1ccccc1Oc1nccnc1[C@H]1CCCN(C(=O)c2cnn(C)c2)C1 ZINC000072362920 222241010 /nfs/dbraw/zinc/24/10/10/222241010.db2.gz VPQKFDVLMVYHCX-HNNXBMFYSA-N 0 0 393.447 3.031 40 0 GGABRN O=C(Cn1cccn1)N1CCC[C@H](c2cncc(Oc3cccc(F)c3)n2)C1 ZINC000072363099 222241021 /nfs/dbraw/zinc/24/10/21/222241021.db2.gz OFQRKCWXTAXDFL-HNNXBMFYSA-N 0 0 381.411 3.011 40 0 GGABRN Cc1cccc(Oc2nccnc2C2CCN(C(=O)c3ccnn3C)CC2)c1 ZINC000072362796 222241053 /nfs/dbraw/zinc/24/10/53/222241053.db2.gz HJYRTTGVFUOBOA-UHFFFAOYSA-N 0 0 377.448 3.331 40 0 GGABRN O=C(c1cnccn1)N1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000072362145 222241104 /nfs/dbraw/zinc/24/11/04/222241104.db2.gz AMWUIRMLHAWABR-AWEZNQCLSA-N 0 0 379.395 3.218 40 0 GGABRN Cc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)c3ccn(C)n3)C2)n1 ZINC000072362764 222241153 /nfs/dbraw/zinc/24/11/53/222241153.db2.gz OLYSCCIIWKBANY-INIZCTEOSA-N 0 0 377.448 3.331 40 0 GGABRN COc1cccc(Oc2nccnc2C2CCN(Cc3cncn3C)CC2)c1 ZINC000072363168 222241218 /nfs/dbraw/zinc/24/12/18/222241218.db2.gz KPWDCKFEAGMSEP-UHFFFAOYSA-N 0 0 379.464 3.391 40 0 GGABRN COc1cccc(Oc2cncc([C@H]3CCCN(Cc4cncn4C)C3)n2)c1 ZINC000072363165 222241274 /nfs/dbraw/zinc/24/12/74/222241274.db2.gz IVUURZPATGUUEQ-INIZCTEOSA-N 0 0 379.464 3.391 40 0 GGABRN COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4cnccn4)C3)n2)c1 ZINC000072362161 222241303 /nfs/dbraw/zinc/24/13/03/222241303.db2.gz RMTAHLCOVNBDJK-OAHLLOKOSA-N 0 0 391.431 3.087 40 0 GGABRN COc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(=O)c2nccn2C)C1 ZINC000072363116 222241358 /nfs/dbraw/zinc/24/13/58/222241358.db2.gz SFRLFCDIALNXPQ-OAHLLOKOSA-N 0 0 393.447 3.031 40 0 GGABRN Cc1c(C(=O)N2CCC(c3nccnc3Oc3ccc(F)cc3)CC2)cnn1C ZINC000072362613 222241379 /nfs/dbraw/zinc/24/13/79/222241379.db2.gz XZKSRIICNDIISO-UHFFFAOYSA-N 0 0 395.438 3.470 40 0 GGABRN COc1cccc(Oc2cc(C)nc(C3CCN(C(=O)c4cc[nH]n4)CC3)n2)c1 ZINC000072362574 222241397 /nfs/dbraw/zinc/24/13/97/222241397.db2.gz MYDMYHGVUBFHLA-UHFFFAOYSA-N 0 0 393.447 3.329 40 0 GGABRN Cc1ccc(Oc2nccnc2C2CCN(C(=O)c3ccnn3C)CC2)cc1 ZINC000072362797 222241416 /nfs/dbraw/zinc/24/14/16/222241416.db2.gz NMIMMDUTIFJKTD-UHFFFAOYSA-N 0 0 377.448 3.331 40 0 GGABRN Cc1cccc(Oc2nccnc2[C@@H]2CCCN(C(=O)c3cnccn3)C2)c1 ZINC000072362155 222241420 /nfs/dbraw/zinc/24/14/20/222241420.db2.gz OMYSEMUCNQHHMV-MRXNPFEDSA-N 0 0 375.432 3.387 40 0 GGABRN COc1cccc(Oc2nccnc2C2CCN(C(=O)c3cnccn3)CC2)c1 ZINC000072362164 222241450 /nfs/dbraw/zinc/24/14/50/222241450.db2.gz VZQBAKKTIZBYFT-UHFFFAOYSA-N 0 0 391.431 3.087 40 0 GGABRN Cn1cc(C(=O)N2CCC[C@@H](c3cncc(Oc4ccccc4F)n3)C2)cn1 ZINC000072362935 222241500 /nfs/dbraw/zinc/24/15/00/222241500.db2.gz RTSMLUKFLKWOOO-CQSZACIVSA-N 0 0 381.411 3.161 40 0 GGABRN O=c1[nH]c([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc2ccccc21 ZINC000072360992 222241521 /nfs/dbraw/zinc/24/15/21/222241521.db2.gz GTSSFCVIEPEYHJ-OAHLLOKOSA-N 0 0 386.448 3.236 40 0 GGABRN COc1ccccc1Oc1cncc([C@H]2CCCN(Cc3cncn3C)C2)n1 ZINC000072363163 222241546 /nfs/dbraw/zinc/24/15/46/222241546.db2.gz PGZQFPOSYKJQMF-INIZCTEOSA-N 0 0 379.464 3.391 40 0 GGABRN COCCC(=O)N1CCC(Cc2cccc(Nc3nc(C)cc(C)n3)n2)CC1 ZINC000072363611 222241571 /nfs/dbraw/zinc/24/15/71/222241571.db2.gz YMUWMENGOFWLCM-UHFFFAOYSA-N 0 0 383.496 3.050 40 0 GGABRN O=C(Cc1ccccn1)N1CC[C@@H](c2cc(CCOc3cccc(F)c3)n[nH]2)C1 ZINC000072371338 222241794 /nfs/dbraw/zinc/24/17/94/222241794.db2.gz FLAPVKYEQMIWFP-MRXNPFEDSA-N 0 0 394.450 3.124 40 0 GGABRN Cc1n[nH]cc1C(=O)N1CC[C@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371437 222241879 /nfs/dbraw/zinc/24/18/79/222241879.db2.gz UVGYUCHTNIPXNC-AWEZNQCLSA-N 0 0 399.882 3.346 40 0 GGABRN O=S(=O)(Cc1ccccc1)N1CCC[C@H]1c1cccc(Nc2cnccn2)n1 ZINC000072375278 222242077 /nfs/dbraw/zinc/24/20/77/222242077.db2.gz QANAGJPZKMQYMZ-SFHVURJKSA-N 0 0 395.488 3.282 40 0 GGABRN Cc1nn(C)cc1C(=O)N1CCC(c2ccc(Nc3ccc(F)cn3)cn2)CC1 ZINC000072374242 222242260 /nfs/dbraw/zinc/24/22/60/222242260.db2.gz FHDHXQNTWHVBJT-UHFFFAOYSA-N 0 0 394.454 3.421 40 0 GGABRN Cc1n[nH]cc1C(=O)N1CC[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371439 222242298 /nfs/dbraw/zinc/24/22/98/222242298.db2.gz FVHGOUDPSWTTHN-AWEZNQCLSA-N 0 0 399.882 3.346 40 0 GGABRN Cc1cc(Cc2ccccc2)cc([C@H]2CCN(S(=O)(=O)N3CCCC3)C2)n1 ZINC000072374752 222242356 /nfs/dbraw/zinc/24/23/56/222242356.db2.gz ZTIONGILZXFICB-FQEVSTJZSA-N 0 0 385.533 3.111 40 0 GGABRN CNc1nc([C@@H]2CCCN(C(=O)CC3CCCCC3)C2)nc2c1CN(C)CC2 ZINC000072372178 222242401 /nfs/dbraw/zinc/24/24/01/222242401.db2.gz HNFXQBDGMUDHMG-QGZVFWFLSA-N 0 0 385.556 3.183 40 0 GGABRN COCC(=O)N1CC[C@@H](c2cc(CCOc3ccccc3C(F)(F)F)n[nH]2)C1 ZINC000072371294 222242985 /nfs/dbraw/zinc/24/29/85/222242985.db2.gz YVJYUNHCGJGKOK-CYBMUJFWSA-N 0 0 397.397 3.012 40 0 GGABRN Cc1cc(-c2ccc(N)nc2)cc(C2CCN(C(=O)Cc3ccccn3)CC2)n1 ZINC000072374077 222243084 /nfs/dbraw/zinc/24/30/84/222243084.db2.gz QIOJWVBCVHPYPH-UHFFFAOYSA-N 0 0 387.487 3.378 40 0 GGABRN COc1ccccc1CC(=O)N1CCC[C@H](c2ncccc2C(=O)NC(C)C)C1 ZINC000072370949 222243115 /nfs/dbraw/zinc/24/31/15/222243115.db2.gz USULBJWNRARMBB-SFHVURJKSA-N 0 0 395.503 3.177 40 0 GGABRN O=C(CN1CCC[C@H](c2cccc(Nc3ccccn3)n2)C1)Nc1nccs1 ZINC000072375964 222243261 /nfs/dbraw/zinc/24/32/61/222243261.db2.gz RMONIGWBODGUML-HNNXBMFYSA-N 0 0 394.504 3.495 40 0 GGABRN Cn1cc(C(=O)N2CC[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cn1 ZINC000072371634 222243338 /nfs/dbraw/zinc/24/33/38/222243338.db2.gz CRLBFVYRSHWLNU-CQSZACIVSA-N 0 0 399.882 3.048 40 0 GGABRN CCN(CC)S(=O)(=O)N1CCC[C@H]1c1cccc(Nc2ncc(C)s2)n1 ZINC000072375240 222243469 /nfs/dbraw/zinc/24/34/69/222243469.db2.gz MJVAUQDEZARAEN-HNNXBMFYSA-N 0 0 395.554 3.314 40 0 GGABRN CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(Cc3ccccc3)cc(C)n2)C1 ZINC000072374757 222243478 /nfs/dbraw/zinc/24/34/78/222243478.db2.gz SJPUEAOGSBJOIC-FQEVSTJZSA-N 0 0 387.549 3.357 40 0 GGABRN CCC(=O)N1CCCC[C@H]1c1nc2c(c(C)n1)CC(=O)N2CCc1ccccc1 ZINC000072371845 222243491 /nfs/dbraw/zinc/24/34/91/222243491.db2.gz YSPMZXFWGNJBJB-IBGZPJMESA-N 0 0 392.503 3.380 40 0 GGABRN Nc1nc(CCC(=O)N2CCC[C@@H]2c2ccc(-c3ccc(N)nc3)cn2)cs1 ZINC000072374115 222243504 /nfs/dbraw/zinc/24/35/04/222243504.db2.gz SROARSYZGGRQHK-QGZVFWFLSA-N 0 0 394.504 3.061 40 0 GGABRN Cn1cc(C(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2ccc(Cl)cc2)cn1 ZINC000072377191 222243939 /nfs/dbraw/zinc/24/39/39/222243939.db2.gz LECJMYXLYWHZFM-QGZVFWFLSA-N 0 0 396.882 3.480 40 0 GGABRN COc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc([N-]c4ncccn4)n3)C2)cc1 ZINC000072377439 222244017 /nfs/dbraw/zinc/24/40/17/222244017.db2.gz ISMFODLWWRPBGW-QGZVFWFLSA-N 0 0 376.464 3.398 40 0 GGABRN COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)c4cccnc4)C3)[nH]n2)cc1 ZINC000072378147 222244130 /nfs/dbraw/zinc/24/41/30/222244130.db2.gz JEOCAHKCHLIOPS-QGZVFWFLSA-N 0 0 392.459 3.065 40 0 GGABRN CCN(CC)C(=O)CN1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(OC)c1 ZINC000072376827 222244318 /nfs/dbraw/zinc/24/43/18/222244318.db2.gz SXCKGXDNGIFNPI-LJQANCHMSA-N 0 0 397.523 3.130 40 0 GGABRN O=C(c1cnccn1)N1CCC[C@@H](CCc2ccnc(Nc3ccccn3)c2)C1 ZINC000072378199 222244335 /nfs/dbraw/zinc/24/43/35/222244335.db2.gz VFHCOKOKTUWRCS-SFHVURJKSA-N 0 0 388.475 3.495 40 0 GGABRN COc1ccccc1OCCc1cc([C@@H]2CCN(C(=O)c3ccncc3)C2)[nH]n1 ZINC000072378159 222244395 /nfs/dbraw/zinc/24/43/95/222244395.db2.gz QTPYSLROOKCEPF-QGZVFWFLSA-N 0 0 392.459 3.065 40 0 GGABRN CC(C)c1nccn1-c1cncc([C@@H]2CCCN2C(=O)Cc2cccnc2)n1 ZINC000072378578 222244577 /nfs/dbraw/zinc/24/45/77/222244577.db2.gz RQJBYKLFLNXESU-SFHVURJKSA-N 0 0 376.464 3.087 40 0 GGABRN CCc1nccn1-c1cncc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000072378478 222244591 /nfs/dbraw/zinc/24/45/91/222244591.db2.gz UTJMIIBMDYYNCF-SFHVURJKSA-N 0 0 379.439 3.270 40 0 GGABRN Cc1n[nH]cc1C(=O)N1CCC[C@@H](c2cccc(-n3ccnc3C(C)C)n2)C1 ZINC000072378999 222244625 /nfs/dbraw/zinc/24/46/25/222244625.db2.gz VRZBWQRRAQPSGV-MRXNPFEDSA-N 0 0 378.480 3.442 40 0 GGABRN COc1ccc(CC(=O)N2CCC(c3cccc(-n4ccnc4)n3)CC2)cc1 ZINC000072378847 222244929 /nfs/dbraw/zinc/24/49/29/222244929.db2.gz NBNQQKVWQQQFCF-UHFFFAOYSA-N 0 0 376.460 3.225 40 0 GGABRN Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2CC(=O)N2CCCC2)n1 ZINC000072376832 222245205 /nfs/dbraw/zinc/24/52/05/222245205.db2.gz HVILSLLDBHKHGY-GOSISDBHSA-N 0 0 383.471 3.014 40 0 GGABRN COc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(-n3ccnc3C)n2)cc1 ZINC000072378382 222245483 /nfs/dbraw/zinc/24/54/83/222245483.db2.gz ANLOGCGZBVGAJN-HXUWFJFHSA-N 0 0 376.460 3.491 40 0 GGABRN Cc1ncsc1C(=O)N1CCCC[C@@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 ZINC000072380558 222245597 /nfs/dbraw/zinc/24/55/97/222245597.db2.gz WCGIHUUIFFAPSK-MRXNPFEDSA-N 0 0 387.509 3.214 40 0 GGABRN COc1ccccc1OCCc1cc([C@H]2CCN(C(=O)c3ccncc3)C2)[nH]n1 ZINC000072378160 222245768 /nfs/dbraw/zinc/24/57/68/222245768.db2.gz QTPYSLROOKCEPF-KRWDZBQOSA-N 0 0 392.459 3.065 40 0 GGABRN O=C(c1cccnc1)N1CC[C@H](c2cc(CCOc3cccc(F)c3)n[nH]2)C1 ZINC000072378140 222245810 /nfs/dbraw/zinc/24/58/10/222245810.db2.gz ISHWAFUBGTUCBO-INIZCTEOSA-N 0 0 380.423 3.195 40 0 GGABRN O=S(=O)(Cc1ccccc1)N1CCC[C@@H]1c1cncc(Nc2ccccn2)n1 ZINC000072376319 222245890 /nfs/dbraw/zinc/24/58/90/222245890.db2.gz ZMPZWSBMZROTHZ-GOSISDBHSA-N 0 0 395.488 3.282 40 0 GGABRN COc1cccc(Oc2cc(C)nc([C@H]3CCN(C(=O)c4cnccn4)C3)n2)c1 ZINC000072383784 222246039 /nfs/dbraw/zinc/24/60/39/222246039.db2.gz POKHTPBBUKIOCF-HNNXBMFYSA-N 0 0 391.431 3.006 40 0 GGABRN Cc1cnc(Nc2cc(C[C@@H]3CCCN(C(=O)c4cc[nH]n4)C3)nc(C)n2)s1 ZINC000072382891 222246108 /nfs/dbraw/zinc/24/61/08/222246108.db2.gz ZVTZSKJXDQYDBX-AWEZNQCLSA-N 0 0 397.508 3.112 40 0 GGABRN CCC(=O)N1CCO[C@@](Cc2cccc(-c3ccccc3)c2)(C(=O)NC2CC2)C1 ZINC000072389116 222246136 /nfs/dbraw/zinc/24/61/36/222246136.db2.gz ROXJGFDUNWCAEQ-XMMPIXPASA-N 0 0 392.499 3.182 40 0 GGABRN Cc1cc(C)n(C[C@H](C)NC(=O)c2cc(-c3cnn(C)c3)nc3ccccc32)n1 ZINC000072390361 222246155 /nfs/dbraw/zinc/24/61/55/222246155.db2.gz FCHVIAJBQFDLBV-HNNXBMFYSA-N 0 0 388.475 3.267 40 0 GGABRN COc1ccccc1CC(=O)N1CCC[C@@H](c2nnc(-c3ccccn3)o2)C1 ZINC000072390010 222246197 /nfs/dbraw/zinc/24/61/97/222246197.db2.gz ITPFDHWDFVRZAD-MRXNPFEDSA-N 0 0 378.432 3.089 40 0 GGABRN Cc1cc(Oc2ccccc2)nc([C@H]2CCCCN2C(=O)CN2CCCC2=O)n1 ZINC000072384092 222246331 /nfs/dbraw/zinc/24/63/31/222246331.db2.gz ZXCWNWXFFHQDFI-GOSISDBHSA-N 0 0 394.475 3.253 40 0 GGABRN Cc1ncccc1Oc1nccnc1C1CCN(CC(=O)N2CCCCC2)CC1 ZINC000072383548 222246369 /nfs/dbraw/zinc/24/63/69/222246369.db2.gz JKAGTLSTBSJJRL-UHFFFAOYSA-N 0 0 395.507 3.164 40 0 GGABRN COc1ccc(CC(=O)N2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390011 222246569 /nfs/dbraw/zinc/24/65/69/222246569.db2.gz YYAWANMZYWVAHO-INIZCTEOSA-N 0 0 378.432 3.089 40 0 GGABRN COCCC(=O)N1CCCC[C@H]1c1cc(Nc2nc(C)cc(C)n2)nc(C)n1 ZINC000072384789 222246576 /nfs/dbraw/zinc/24/65/76/222246576.db2.gz OEWFFYIMNMHTAF-KRWDZBQOSA-N 0 0 384.484 3.026 40 0 GGABRN COc1ccc(Oc2cc(C)nc([C@H]3CCCN3C(=O)c3cnccn3)n2)cc1 ZINC000072383782 222246815 /nfs/dbraw/zinc/24/68/15/222246815.db2.gz JYUDIOSPKKMKPA-GOSISDBHSA-N 0 0 391.431 3.353 40 0 GGABRN COc1ccccc1CC(=O)N1CCC[C@@H](c2nc(-c3cccnc3)no2)C1 ZINC000072389657 222246825 /nfs/dbraw/zinc/24/68/25/222246825.db2.gz OGARPYCLJBIDDO-QGZVFWFLSA-N 0 0 378.432 3.089 40 0 GGABRN CCCc1cc(C(=O)N2CCc3nc([C@@H]4CCCN4C(C)=O)ncc3C2)cs1 ZINC000072390860 222246926 /nfs/dbraw/zinc/24/69/26/222246926.db2.gz ZUHKWYVBYIQMSU-IBGZPJMESA-N 0 0 398.532 3.373 40 0 GGABRN Cc1cc(C)n(C[C@@H](C)NC(=O)c2cc(-c3cnn(C)c3)nc3ccccc32)n1 ZINC000072390360 222246951 /nfs/dbraw/zinc/24/69/51/222246951.db2.gz FCHVIAJBQFDLBV-OAHLLOKOSA-N 0 0 388.475 3.267 40 0 GGABRN CCCC(=O)N1CCO[C@](Cc2ccc(-c3ccc(F)cc3)cc2)(C(=O)NC)C1 ZINC000072389298 222246971 /nfs/dbraw/zinc/24/69/71/222246971.db2.gz NQGFEVXDZJAXRF-QHCPKHFHSA-N 0 0 398.478 3.179 40 0 GGABRN COc1ccc(Oc2cc(C)nc([C@H]3CCN(C(=O)c4cnccn4)C3)n2)cc1 ZINC000072383788 222247066 /nfs/dbraw/zinc/24/70/66/222247066.db2.gz KHFSROSCMVILIC-HNNXBMFYSA-N 0 0 391.431 3.006 40 0 GGABRN Cc1n[nH]cc1C(=O)N1CC[C@H](c2nc(C)cc(Oc3ccccc3F)n2)C1 ZINC000072384004 222247126 /nfs/dbraw/zinc/24/71/26/222247126.db2.gz KAAAXCFXILEAKS-AWEZNQCLSA-N 0 0 381.411 3.378 40 0 GGABRN Cc1cc(Oc2ccccc2F)nc([C@H]2CCN(C(=O)C3CCOCC3)C2)n1 ZINC000072384288 222247139 /nfs/dbraw/zinc/24/71/39/222247139.db2.gz PVJCSTZVNRBXKO-INIZCTEOSA-N 0 0 385.439 3.459 40 0 GGABRN Cc1cc(Oc2ccccc2F)nc([C@@H]2CCCN2C(=O)c2cnn(C)c2)n1 ZINC000072384312 222247187 /nfs/dbraw/zinc/24/71/87/222247187.db2.gz BKKZBGFXWUZTBS-INIZCTEOSA-N 0 0 381.411 3.427 40 0 GGABRN Cc1cc(Oc2ccc(F)cc2)nc([C@@H]2CCCCN2C(=O)CCC(N)=O)n1 ZINC000072384472 222247247 /nfs/dbraw/zinc/24/72/47/222247247.db2.gz OUXYXWYAHNUWER-INIZCTEOSA-N 0 0 386.427 3.036 40 0 GGABRN COCCC(=O)N1CCCC[C@@H]1c1cc(Nc2ncc(C)s2)nc(C)n1 ZINC000072384808 222247260 /nfs/dbraw/zinc/24/72/60/222247260.db2.gz YSIRKEIOKZHGDH-OAHLLOKOSA-N 0 0 375.498 3.384 40 0 GGABRN Cc1ncccc1Oc1nccnc1C1CCN(C(=O)c2cccnc2)CC1 ZINC000072383758 222247387 /nfs/dbraw/zinc/24/73/87/222247387.db2.gz NPVUVZXWXWMMSE-UHFFFAOYSA-N 0 0 375.432 3.387 40 0 GGABRN CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)CC)CCO1 ZINC000072389253 222247405 /nfs/dbraw/zinc/24/74/05/222247405.db2.gz DLXHURVQVQZXQG-OAQYLSRUSA-N 0 0 386.517 3.101 40 0 GGABRN Cc1cc(Oc2ccc(F)cc2)nc([C@@H]2CCN(C(=O)c3cnn(C)c3)C2)n1 ZINC000072384304 222247443 /nfs/dbraw/zinc/24/74/43/222247443.db2.gz ODNOMTBLZGVGDO-CQSZACIVSA-N 0 0 381.411 3.080 40 0 GGABRN CCN(CC)C(=O)CN1CCC[C@H](c2nccnc2Oc2cccnc2C)C1 ZINC000072383623 222247447 /nfs/dbraw/zinc/24/74/47/222247447.db2.gz PHTMGGGSOCMAAP-KRWDZBQOSA-N 0 0 383.496 3.020 40 0 GGABRN Cc1cc(Oc2ccccc2C)nc([C@H]2CCN(C(=O)c3ccn(C)n3)C2)n1 ZINC000072384166 222247621 /nfs/dbraw/zinc/24/76/21/222247621.db2.gz BEQMOGZECILFEF-INIZCTEOSA-N 0 0 377.448 3.249 40 0 GGABRN CNC(=O)[C@@]1(Cc2cccc(-c3cccc(C)c3)c2)CCCN(C(=O)COC)C1 ZINC000072391498 222248011 /nfs/dbraw/zinc/24/80/11/222248011.db2.gz RWIDLUQYAIGNHI-XMMPIXPASA-N 0 0 394.515 3.206 40 0 GGABRN COc1ccccc1-c1ccc(C2(CNC(=O)CCN3CCOCC3)CC2)cc1 ZINC000072391840 222248398 /nfs/dbraw/zinc/24/83/98/222248398.db2.gz BNZAOGQGMSQMOE-UHFFFAOYSA-N 0 0 394.515 3.232 40 0 GGABRN Cc1cc(C(F)(F)F)nn1CCc1cc(=O)[nH]c(N[C@@H](C)c2ccccn2)n1 ZINC000072391453 222249545 /nfs/dbraw/zinc/24/95/45/222249545.db2.gz DJRDUIYYFWNZMA-LBPRGKRZSA-N 0 0 392.385 3.104 40 0 GGABRN Cc1cc(C(F)(F)F)nn1CCc1cc(=O)[nH]c(N[C@H](C)c2ccncc2)n1 ZINC000072391452 222249605 /nfs/dbraw/zinc/24/96/05/222249605.db2.gz GWRODCJKSSAACP-GFCCVEGCSA-N 0 0 392.385 3.104 40 0 GGABRN Cc1cc(C(F)(F)F)nn1CCc1cc(=O)[nH]c(N[C@@H](C)c2ccncc2)n1 ZINC000072391451 222249755 /nfs/dbraw/zinc/24/97/55/222249755.db2.gz GWRODCJKSSAACP-LBPRGKRZSA-N 0 0 392.385 3.104 40 0 GGABRN CC(C)C(=O)N1CCC[C@@H](c2nn(CCOc3ccccc3)c3nccnc23)C1 ZINC000072395881 222251260 /nfs/dbraw/zinc/25/12/60/222251260.db2.gz KECPRVWNBPQBSN-QGZVFWFLSA-N 0 0 393.491 3.267 40 0 GGABRN Cc1cc(-c2cc(=O)n(CC(=O)N(C(C)C)C(C)C)nc2-c2ccco2)on1 ZINC000072396649 222251263 /nfs/dbraw/zinc/25/12/63/222251263.db2.gz MKTSVUKYPSAEGJ-UHFFFAOYSA-N 0 0 384.436 3.112 40 0 GGABRN CC(C)C(=O)N1CCC[C@](Cc2cc(-c3ccccc3)no2)(C(=O)N(C)C)C1 ZINC000072395965 222252271 /nfs/dbraw/zinc/25/22/71/222252271.db2.gz YPYFPDTZXVPUHR-JOCHJYFZSA-N 0 0 383.492 3.237 40 0 GGABRN CCC(=O)N1CCC[C@H](c2nn(CCOc3ccccc3)c3nccnc23)C1 ZINC000072395896 222252336 /nfs/dbraw/zinc/25/23/36/222252336.db2.gz GUPROJGAIJRPLA-INIZCTEOSA-N 0 0 379.464 3.021 40 0 GGABRN CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)C2CC2)C1 ZINC000072395974 222252374 /nfs/dbraw/zinc/25/23/74/222252374.db2.gz BQLIUMOBYAGDAT-QHCPKHFHSA-N 0 0 395.503 3.347 40 0 GGABRN CC(=O)c1ccc(Cl)cc1CN1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1 ZINC000072397191 222254351 /nfs/dbraw/zinc/25/43/51/222254351.db2.gz QLKJHXHYPYWLMA-UHFFFAOYSA-N 0 0 395.850 3.054 40 0 GGABRN CC(=O)N1CCc2ccc(S(=O)(=O)Oc3ccccc3C(F)(F)F)cc21 ZINC000084752562 222322202 /nfs/dbraw/zinc/32/22/02/222322202.db2.gz NYSLGHMVUHKTBU-UHFFFAOYSA-N 0 0 385.363 3.382 40 0 GGABRN CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H](C(=O)NCCC1=CCCCC1)C2 ZINC000085473798 222322705 /nfs/dbraw/zinc/32/27/05/222322705.db2.gz HGMJWXQFBCIWHG-HNNXBMFYSA-N 0 0 375.538 3.269 40 0 GGABRN CCO[C@@H](C)c1noc(CN2C(=O)N[C@@](C)(c3cccc4ccccc43)C2=O)n1 ZINC000084800606 222323700 /nfs/dbraw/zinc/32/37/00/222323700.db2.gz MZGCJJPMPIUMOG-ZSEKCTLFSA-N 0 0 394.431 3.288 40 0 GGABRN CC[C@H]1[C@H](c2ccccc2O)c2cc3c(cc2O[C@@H]1N1CCOCC1)OCO3 ZINC000073355492 222270264 /nfs/dbraw/zinc/27/02/64/222270264.db2.gz MPGWMGUALYVDAX-CUJSYCCXSA-N 0 0 383.444 3.330 40 0 GGABRN C[C@@H](Oc1ccccc1)C(=O)NCCc1nc(C2CC2)cc(C(F)(F)F)n1 ZINC000077101138 222273840 /nfs/dbraw/zinc/27/38/40/222273840.db2.gz NQOWRCBEXNHXHS-GFCCVEGCSA-N 0 0 379.382 3.499 40 0 GGABRN O=C(Cc1ccccc1Cl)N[C@H]1CCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000077100817 222273845 /nfs/dbraw/zinc/27/38/45/222273845.db2.gz CJBZVUMHPZQFHF-KRWDZBQOSA-N 0 0 396.878 3.323 40 0 GGABRN COc1cccc(C(=O)N2CCC(CSC3=NCCS3)CC2)c1OC ZINC000077101455 222274810 /nfs/dbraw/zinc/27/48/10/222274810.db2.gz TTWLUTHVLNMZTR-UHFFFAOYSA-N 0 0 380.535 3.392 40 0 GGABRN O=C(NCCOc1ccccc1)N1CCC[C@@H](c2nnc(C(F)(F)F)o2)C1 ZINC000077197873 222275067 /nfs/dbraw/zinc/27/50/67/222275067.db2.gz QMDBAXWAQSGAIR-GFCCVEGCSA-N 0 0 384.358 3.056 40 0 GGABRN O=C(c1ccc(Br)o1)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 ZINC000077197802 222275261 /nfs/dbraw/zinc/27/52/61/222275261.db2.gz PTZKLMMFMNPSLN-ZETCQYMHSA-N 0 0 394.147 3.464 40 0 GGABRN O=S(=O)(c1cccc(Cl)c1)N1CC(c2nc(Cc3cccs3)no2)C1 ZINC000077190813 222275470 /nfs/dbraw/zinc/27/54/70/222275470.db2.gz DTVHRKNZYXZZHL-UHFFFAOYSA-N 0 0 395.893 3.163 40 0 GGABRN O=C(CCC(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1)c1ccccc1 ZINC000077197690 222275550 /nfs/dbraw/zinc/27/55/50/222275550.db2.gz BMSKOKQKITVEON-UHFFFAOYSA-N 0 0 381.354 3.458 40 0 GGABRN O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cc(F)ccc1F ZINC000077198071 222275620 /nfs/dbraw/zinc/27/56/20/222275620.db2.gz LDSNGPAVAFZTJF-UHFFFAOYSA-N 0 0 390.312 3.185 40 0 GGABRN CCc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(F)(F)F)o3)C2)s1 ZINC000077198128 222276119 /nfs/dbraw/zinc/27/61/19/222276119.db2.gz PGSLLQCOXPLCAE-SECBINFHSA-N 0 0 395.428 3.281 40 0 GGABRN C[C@@H]1CN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C[C@@H](c2ccccc2)O1 ZINC000078609956 222296411 /nfs/dbraw/zinc/29/64/11/222296411.db2.gz JCVIGCUITSACTL-QRWLVFNGSA-N 0 0 379.460 3.168 40 0 GGABRN CSc1ncc(C(=O)NCc2cn3c(cccc3C)n2)n1-c1ccccc1 ZINC000078772240 222297438 /nfs/dbraw/zinc/29/74/38/222297438.db2.gz RWUCWAIDYNCTSO-UHFFFAOYSA-N 0 0 377.473 3.480 40 0 GGABRN Cc1csc(C2(NS(=O)(=O)c3cnc4onc(C)c4c3)CCCC2)n1 ZINC000079035596 222301894 /nfs/dbraw/zinc/30/18/94/222301894.db2.gz NJSSNPZRLUBTBL-UHFFFAOYSA-N 0 0 378.479 3.044 40 0 GGABRN C[C@@H](C(=O)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2)S(C)(=O)=O ZINC000079038774 222302154 /nfs/dbraw/zinc/30/21/54/222302154.db2.gz YTMRVDKGPUZVLI-UGSOOPFHSA-N 0 0 377.531 3.266 40 0 GGABRN Cc1c(C(=O)OCc2ccccc2)c(=O)n(-c2ccccc2)n1CC(C)(C)O ZINC000082048654 222306342 /nfs/dbraw/zinc/30/63/42/222306342.db2.gz VKCNSUXVDPWXHN-UHFFFAOYSA-N 0 0 380.444 3.075 40 0 GGABRN O=C(N[C@H]1C[C@H]1c1ccc(F)cc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000084393478 222315545 /nfs/dbraw/zinc/31/55/45/222315545.db2.gz IVFNCIXCSWWRGW-GJZGRUSLSA-N 0 0 387.354 3.405 40 0 GGABRN O=C1CC2(CCCCC2)CC(=O)N1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000084403259 222316219 /nfs/dbraw/zinc/31/62/19/222316219.db2.gz DHHJOPFYQNSQBZ-QGZVFWFLSA-N 0 0 379.884 3.317 40 0 GGABRN O=C(N[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000084393481 222316480 /nfs/dbraw/zinc/31/64/80/222316480.db2.gz IVFNCIXCSWWRGW-CABCVRRESA-N 0 0 387.354 3.405 40 0 GGABRN C[C@@]1(c2ccccn2)NC(=O)N(CC(=O)c2ccc(Cl)c(Cl)c2)C1=O ZINC000084668119 222320271 /nfs/dbraw/zinc/32/02/71/222320271.db2.gz PPDZHNVNJYSDEG-KRWDZBQOSA-N 0 0 378.215 3.038 40 0 GGABRN C[C@H](C(=O)N1CCc2ccccc21)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000095950336 222362585 /nfs/dbraw/zinc/36/25/85/222362585.db2.gz GSKCAMDFDQFBQJ-QGZVFWFLSA-N 0 0 383.923 3.435 40 0 GGABRN O=C(c1cccs1)N1CCC2(CC[C@@H]2NS(=O)(=O)c2ccccc2)CC1 ZINC000096051667 222374222 /nfs/dbraw/zinc/37/42/22/222374222.db2.gz LHKIKDCAYNFRLW-KRWDZBQOSA-N 0 0 390.530 3.111 40 0 GGABRN Cc1nc(CN2CCC3(CC[C@H]3NS(=O)(=O)c3ccccc3)CC2)cs1 ZINC000096051631 222374656 /nfs/dbraw/zinc/37/46/56/222374656.db2.gz UCEUZCWQPZBMNI-GOSISDBHSA-N 0 0 391.562 3.175 40 0 GGABRN O=C(c1cnccn1)N1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1 ZINC000096038185 222374694 /nfs/dbraw/zinc/37/46/94/222374694.db2.gz KOQUFUIDDMSDQX-UHFFFAOYSA-N 0 0 384.443 3.206 40 0 GGABRN O=S(=O)(C1CC1)N1CCC(c2nc3ccc(Nc4ccccc4)cn3n2)CC1 ZINC000096038335 222375040 /nfs/dbraw/zinc/37/50/40/222375040.db2.gz HZMLHGJMJCYVPW-UHFFFAOYSA-N 0 0 397.504 3.145 40 0 GGABRN CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)c3ccoc3)CC2)Oc2ccccc21 ZINC000096053169 222375106 /nfs/dbraw/zinc/37/51/06/222375106.db2.gz CMOQIPSEQXFYOY-QGZVFWFLSA-N 0 0 382.460 3.299 40 0 GGABRN O=C(C[C@@H]1CC2(CCN(C(=O)c3cccnc3)CC2)c2ccccc21)NC1CC1 ZINC000096053003 222375451 /nfs/dbraw/zinc/37/54/51/222375451.db2.gz NGEYERHRRSVINT-GOSISDBHSA-N 0 0 389.499 3.412 40 0 GGABRN CCOCCCNC(=O)c1ccn(-c2ccc3ccc(-c4ccncc4)cn32)n1 ZINC000096038095 222375597 /nfs/dbraw/zinc/37/55/97/222375597.db2.gz SYYFVMAJTQHKFK-UHFFFAOYSA-N 0 0 389.459 3.343 40 0 GGABRN Cc1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5cnn(C)c5)cn43)n2)cn1 ZINC000096038106 222375751 /nfs/dbraw/zinc/37/57/51/222375751.db2.gz SHWLYDHZAGBTPC-UHFFFAOYSA-N 0 0 397.442 3.481 40 0 GGABRN O=C(c1cccnc1)N1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1 ZINC000096038255 222375770 /nfs/dbraw/zinc/37/57/70/222375770.db2.gz CMKRQHGKANZHKS-UHFFFAOYSA-N 0 0 384.443 3.206 40 0 GGABRN COc1cccc(N2C[C@@]3(CCN(C(=O)NCc4ccccc4)C3)CC2=O)c1 ZINC000096077480 222376098 /nfs/dbraw/zinc/37/60/98/222376098.db2.gz QJOUAKCIGJZLOW-QFIPXVFZSA-N 0 0 379.460 3.034 40 0 GGABRN O=C(Nc1ccccc1)[C@@H]1CN(C(=O)NCc2ccccc2)CC12CCOCC2 ZINC000096078701 222376401 /nfs/dbraw/zinc/37/64/01/222376401.db2.gz ZEARKIDQJZWNIJ-FQEVSTJZSA-N 0 0 393.487 3.264 40 0 GGABRN O=C(Cc1cccs1)N1CCC[C@]2(CC(C(=O)Nc3ccccc3)=NO2)C1 ZINC000096074399 222376782 /nfs/dbraw/zinc/37/67/82/222376782.db2.gz KBFSJGHWFNBDLH-FQEVSTJZSA-N 0 0 383.473 3.067 40 0 GGABRN O=C(Nc1ccccc1)[C@H]1CN(C(=O)NCc2ccccc2)CC12CCOCC2 ZINC000096078700 222377439 /nfs/dbraw/zinc/37/74/39/222377439.db2.gz ZEARKIDQJZWNIJ-HXUWFJFHSA-N 0 0 393.487 3.264 40 0 GGABRN O=C(c1cc(C2CC2)on1)N1CCC(Oc2ncccc2Br)CC1 ZINC000096096988 222377929 /nfs/dbraw/zinc/37/79/29/222377929.db2.gz QGRCBCXRZPPQIS-UHFFFAOYSA-N 0 0 392.253 3.393 40 0 GGABRN O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000096096911 222378150 /nfs/dbraw/zinc/37/81/50/222378150.db2.gz UHETYISUFMUDGL-HNNXBMFYSA-N 0 0 399.878 3.158 40 0 GGABRN O=C(c1ccc2ccccc2n1)N1CCc2onc(COc3cccnc3)c2C1 ZINC000096085113 222378843 /nfs/dbraw/zinc/37/88/43/222378843.db2.gz SIMBCOOZNVOAMN-UHFFFAOYSA-N 0 0 386.411 3.395 40 0 GGABRN COc1ccc(CN(C)c2ccc3ccc(C(=O)N4CCC[C@H](O)C4)cn32)cc1 ZINC000096087839 222379006 /nfs/dbraw/zinc/37/90/06/222379006.db2.gz HTXNUGZONULJTJ-FQEVSTJZSA-N 0 0 393.487 3.181 40 0 GGABRN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCC(Oc2ncccc2Cl)CC1 ZINC000096096878 222379098 /nfs/dbraw/zinc/37/90/98/222379098.db2.gz SNSIMCLKXRRYPD-UGSOOPFHSA-N 0 0 388.851 3.333 40 0 GGABRN CCCc1ccc(C(=O)N2CCC3(CC[C@H](C(=O)N4CCCC4)O3)CC2)cc1 ZINC000096087275 222379109 /nfs/dbraw/zinc/37/91/09/222379109.db2.gz PSDUTBOVFLBBCY-HXUWFJFHSA-N 0 0 384.520 3.415 40 0 GGABRN O=C(Cc1cccs1)N1[C@@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 ZINC000096099566 222379750 /nfs/dbraw/zinc/37/97/50/222379750.db2.gz CMBQSZHLZKUAMT-MVVMVCHASA-N 0 0 375.515 3.287 40 0 GGABRN COc1cccc(OC)c1C(=O)NCCn1nc(C(F)(F)F)cc1C1CC1 ZINC000096103739 222379903 /nfs/dbraw/zinc/37/99/03/222379903.db2.gz LKSILPJYMYMUEH-UHFFFAOYSA-N 0 0 383.370 3.227 40 0 GGABRN Cc1noc(C)c1C(=O)N1CCC(Oc2ncccc2Br)CC1 ZINC000096096993 222380571 /nfs/dbraw/zinc/38/05/71/222380571.db2.gz KXCCWSLXWOHVJO-UHFFFAOYSA-N 0 0 380.242 3.133 40 0 GGABRN COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)N(Cc1ccc(Cl)cc1)C2 ZINC000096111934 222381261 /nfs/dbraw/zinc/38/12/61/222381261.db2.gz UOPZEAUUZLCMJE-HKUYNNGSSA-N 0 0 386.879 3.355 40 0 biogenic,in-vitro GGABRN COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)N(Cc1ccccc1Cl)C2 ZINC000096111933 222381450 /nfs/dbraw/zinc/38/14/50/222381450.db2.gz KDNOEDBLRYPKSM-LPHOPBHVSA-N 0 0 386.879 3.355 40 0 biogenic,in-vitro GGABRN CO[C@H](CNS(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C)c1ccc(C)s1 ZINC000096104830 222381712 /nfs/dbraw/zinc/38/17/12/222381712.db2.gz YYPMMOOIJVTDCW-HBUWYVDXSA-N 0 0 385.551 3.059 40 0 GGABRN F[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@@H]1OCc1nc2ccccc2[nH]1 ZINC000096112190 222382053 /nfs/dbraw/zinc/38/20/53/222382053.db2.gz HIMROJUCPLVJCM-QRWLVFNGSA-N 0 0 383.423 3.073 40 0 biogenic,in-vitro GGABRN COc1ccc(C(=O)NC[C@H]2Cn3c(-c4ccc(F)cc4)cnc3CO2)cc1 ZINC000096112915 222382212 /nfs/dbraw/zinc/38/22/12/222382212.db2.gz FUMDYHXMVLBWJP-SFHVURJKSA-N 0 0 381.407 3.027 40 0 biogenic,in-vitro GGABRN Fc1ccc2[nH]c(CO[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@H]3F)nc2c1 ZINC000096112224 222382364 /nfs/dbraw/zinc/38/23/64/222382364.db2.gz VQSHQACHEFSSJN-KUHUBIRLSA-N 0 0 387.386 3.170 40 0 biogenic,in-vitro GGABRN CC(C)(C)S(=O)(=O)[C@H]1CCN(C(=O)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000096120094 222383556 /nfs/dbraw/zinc/38/35/56/222383556.db2.gz UOYGMJPDHLMIPD-HNNXBMFYSA-N 0 0 391.455 3.452 40 0 GGABRN CC[C@@](CNS(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C)(OC)c1ccccc1 ZINC000096123794 222384029 /nfs/dbraw/zinc/38/40/29/222384029.db2.gz YLGNPOYYKRPTCB-UIFIKXQLSA-N 0 0 393.549 3.253 40 0 GGABRN CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000096120093 222384377 /nfs/dbraw/zinc/38/43/77/222384377.db2.gz UOYGMJPDHLMIPD-OAHLLOKOSA-N 0 0 391.455 3.452 40 0 GGABRN CCCNC(=O)[C@H]1C[C@]2(CO1)c1ccccc1CN2Cc1cccc(OC)c1 ZINC000096143944 222387647 /nfs/dbraw/zinc/38/76/47/222387647.db2.gz FMINFBFJULTWQC-GGAORHGYSA-N 0 0 380.488 3.221 40 0 GGABRN CC(C)CCN1[C@@]2(CCN(Cc3ccncc3)C2)c2ccccc2S1(=O)=O ZINC000096143265 222388163 /nfs/dbraw/zinc/38/81/63/222388163.db2.gz RJDSQTUVWJTMMF-OAQYLSRUSA-N 0 0 385.533 3.233 40 0 GGABRN CCCN(CCOC)C(=O)[C@@H]1C[C@@]2(CO1)CN(CCC(C)C)c1ccccc12 ZINC000096143981 222388479 /nfs/dbraw/zinc/38/84/79/222388479.db2.gz AZLUQGPKPWJKIB-GMAHTHKFSA-N 0 0 388.552 3.464 40 0 GGABRN COc1ccc(CN2C[C@]3(CO[C@@H](C(=O)NC(C)C)C3)c3ccccc32)cc1 ZINC000096144510 222388520 /nfs/dbraw/zinc/38/85/20/222388520.db2.gz HAXKBWGCQNQKMQ-FYYLOGMGSA-N 0 0 380.488 3.267 40 0 GGABRN CC(C)CNC(=O)c1nc2c(s1)CCN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000096146973 222389150 /nfs/dbraw/zinc/38/91/50/222389150.db2.gz IOTWIXUEDQORRD-UHFFFAOYSA-N 0 0 391.924 3.423 40 0 GGABRN O=C(Nc1ccccc1)N1CCc2nc(C(=O)N3CCCCC3)sc2CC1 ZINC000096147003 222390053 /nfs/dbraw/zinc/39/00/53/222390053.db2.gz WXTJETHFCDGMPV-UHFFFAOYSA-N 0 0 384.505 3.402 40 0 GGABRN COCCNC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 ZINC000096146535 222390198 /nfs/dbraw/zinc/39/01/98/222390198.db2.gz GYUNNLKLMDXAEI-UHFFFAOYSA-N 0 0 389.459 3.161 40 0 GGABRN CN(C)C(=O)n1c(C(=O)NCCc2ccccn2)cc2c1c1ccccc1n2C ZINC000096146304 222390316 /nfs/dbraw/zinc/39/03/16/222390316.db2.gz KYUINIDVRQIGRH-UHFFFAOYSA-N 0 0 389.459 3.030 40 0 GGABRN O=C(NCCc1ccccn1)c1cc2c(s1)CCN2C(=O)c1ccc(F)cc1 ZINC000096146810 222390377 /nfs/dbraw/zinc/39/03/77/222390377.db2.gz WZLQKETXOMAXKE-UHFFFAOYSA-N 0 0 395.459 3.458 40 0 GGABRN COCCN(C)C(=O)c1cnc(-c2noc3cc(N4CCCC4)ccc32)s1 ZINC000096154552 222391894 /nfs/dbraw/zinc/39/18/94/222391894.db2.gz WTEOADSJNWAOAN-UHFFFAOYSA-N 0 0 386.477 3.270 40 0 GGABRN CC(C)n1cnc([C@@H]2CN(C)c3ccc(C(=O)NCc4ccccc4)cc32)n1 ZINC000096156335 222392727 /nfs/dbraw/zinc/39/27/27/222392727.db2.gz QNVMRIGUZUZNOE-LJQANCHMSA-N 0 0 375.476 3.371 40 0 GGABRN CCN(C(=O)c1ccn(-c2ccc3ccc(-c4cnn(C)c4)cn32)n1)C(C)C ZINC000096155390 222393464 /nfs/dbraw/zinc/39/34/64/222393464.db2.gz IVSRGVJYLQDKHE-UHFFFAOYSA-N 0 0 376.464 3.396 40 0 GGABRN CC[C@H](CO)NC(=O)c1nc(-c2cn(CC3CCCCC3)cn2)n2ccccc12 ZINC000096155139 222393671 /nfs/dbraw/zinc/39/36/71/222393671.db2.gz CEOYZWWLDOCVIP-QGZVFWFLSA-N 0 0 395.507 3.279 40 0 GGABRN CC(C)c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)nc(N2CCCC2)n1 ZINC000096192599 222396675 /nfs/dbraw/zinc/39/66/75/222396675.db2.gz BHXFUJCOYLAOTN-UHFFFAOYSA-N 0 0 393.535 3.158 40 0 GGABRN Cc1ccc([C@H]2[C@@H](C(=O)NCCCn3cnc4ccccc43)CC(=O)N2C)cc1 ZINC000096181268 222397048 /nfs/dbraw/zinc/39/70/48/222397048.db2.gz AQKGXSORJLGTIX-AVRDEDQJSA-N 0 0 390.487 3.071 40 0 GGABRN Cc1ccc([C@H]2[C@H](C(=O)NCCCn3cnc4ccccc43)CC(=O)N2C)cc1 ZINC000096181266 222397508 /nfs/dbraw/zinc/39/75/08/222397508.db2.gz AQKGXSORJLGTIX-GCJKJVERSA-N 0 0 390.487 3.071 40 0 GGABRN O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(=O)Nc1ccc(Cl)cc1)C2 ZINC000096226969 222399467 /nfs/dbraw/zinc/39/94/67/222399467.db2.gz KJGRYDUWGGCEQS-XLIONFOSSA-N 0 0 384.867 3.295 40 0 GGABRN Cc1cccc(NC(=O)N2CC[C@@]3(C[C@H]3C(=O)N(C)Cc3ccccn3)C2)c1 ZINC000096227353 222399471 /nfs/dbraw/zinc/39/94/71/222399471.db2.gz VWFLRDQTAPFLFI-SIKLNZKXSA-N 0 0 378.476 3.293 40 0 GGABRN O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(=O)Nc1ccc(Cl)cc1)C2 ZINC000096226967 222399775 /nfs/dbraw/zinc/39/97/75/222399775.db2.gz KJGRYDUWGGCEQS-YLJYHZDGSA-N 0 0 384.867 3.295 40 0 GGABRN CN(Cc1ccccn1)C(=O)[C@H]1C[C@@]12CCN(C(=O)c1ccc(Cl)cc1)C2 ZINC000096227387 222399911 /nfs/dbraw/zinc/39/99/11/222399911.db2.gz VDEWAUUUALXZCE-WIYYLYMNSA-N 0 0 383.879 3.246 40 0 GGABRN Cc1ccc(NC(=O)N2CC[C@]3(C2)CN(c2ccsc2)C(=O)CN3C)cc1 ZINC000096238157 222401036 /nfs/dbraw/zinc/40/10/36/222401036.db2.gz HAEGQKHYATXFRX-FQEVSTJZSA-N 0 0 384.505 3.012 40 0 GGABRN CCc1cccc(NC(=O)N2CC[C@@]3(C2)CN(c2ccsc2)C(=O)CN3C)c1 ZINC000096238166 222401193 /nfs/dbraw/zinc/40/11/93/222401193.db2.gz UATDKRPELXJOML-OAQYLSRUSA-N 0 0 398.532 3.266 40 0 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/nfs/dbraw/zinc/45/67/41/222456741.db2.gz XROAPAOHUZDXSI-UHFFFAOYSA-N 0 0 383.458 3.084 40 0 GGABRN O=C(c1cccs1)C1=NO[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(O)=C12 ZINC000100354871 222458066 /nfs/dbraw/zinc/45/80/66/222458066.db2.gz BKMYABOKFHARBC-BXUZGUMPSA-N 0 0 395.223 3.182 40 0 GGABRN CCCC(=O)N1CCC[C@@H]1c1cc2nc(C3CC[NH+](C(C)C)CC3)cc(=O)n2[n-]1 ZINC000100232758 222458831 /nfs/dbraw/zinc/45/88/31/222458831.db2.gz ZMTAPKBZBYGTDV-LJQANCHMSA-N 0 0 399.539 3.486 40 0 GGABRN COc1cc(CCc2cc(=O)n3nc(-c4ccc(OC)cc4)c(C)c3[nH]2)on1 ZINC000100776353 222463045 /nfs/dbraw/zinc/46/30/45/222463045.db2.gz QONISDGXGAQSRZ-UHFFFAOYSA-N 0 0 380.404 3.201 40 0 GGABRN C[C@@H]1c2cc(S(=O)(=O)NCc3ccc(Cl)cc3)cc3c2N(CCC3)C1=O ZINC000101078959 222467092 /nfs/dbraw/zinc/46/70/92/222467092.db2.gz KGJJEBNLORHHDA-GFCCVEGCSA-N 0 0 390.892 3.215 40 0 GGABRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000102686570 222483934 /nfs/dbraw/zinc/48/39/34/222483934.db2.gz RKFXOXGMNIRSCG-HSALFYBXSA-N 0 0 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COc1cc(Cn2c3ccccc3n(C)c2=O)c(OC)cc1Br ZINC000022322647 564316461 /nfs/dbraw/zinc/31/64/61/564316461.db2.gz WEZNNCVMXGLSRG-UHFFFAOYSA-N 0 0 377.238 3.168 40 0 GGABRN NC(=O)COc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000022527929 564317018 /nfs/dbraw/zinc/31/70/18/564317018.db2.gz LWOUGQXGGVQYBC-UHFFFAOYSA-N 0 0 383.629 3.219 40 0 GGABRN Cc1nccn1-c1ccccc1CNS(=O)(=O)Cc1ccccc1Cl ZINC000022525590 564317630 /nfs/dbraw/zinc/31/76/30/564317630.db2.gz RXDSTVMPYBNQSA-UHFFFAOYSA-N 0 0 375.881 3.454 40 0 GGABRN COc1ccccc1CN(C)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000022531255 564317677 /nfs/dbraw/zinc/31/76/77/564317677.db2.gz YMFUOHQXCHVDAP-UHFFFAOYSA-N 0 0 384.295 3.420 40 0 GGABRN O=C(OCCOc1ccc(Cl)cc1Cl)c1n[nH]c(=O)c2ccccc21 ZINC000023077178 564322047 /nfs/dbraw/zinc/32/20/47/564322047.db2.gz IEDFNAHJGHZSCE-UHFFFAOYSA-N 0 0 379.199 3.466 40 0 GGABRN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1cccc(F)c1 ZINC000023078647 564322092 /nfs/dbraw/zinc/32/20/92/564322092.db2.gz VXYOVVNOVXKYJC-UHFFFAOYSA-N 0 0 382.482 3.243 40 0 GGABRN CCOc1ccc(S(=O)(=O)N2CCC(c3nnc(CC)s3)CC2)cc1 ZINC000023140848 564322301 /nfs/dbraw/zinc/32/23/01/564322301.db2.gz MONZHJFWTXAIBB-UHFFFAOYSA-N 0 0 381.523 3.068 40 0 GGABRN Cc1noc(C)c1CCC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000023117548 564322364 /nfs/dbraw/zinc/32/23/64/564322364.db2.gz DRNKFGFCMWUTLQ-UHFFFAOYSA-N 0 0 381.226 3.396 40 0 GGABRN CCN(CC)C(=O)CSc1nnc(S[C@@H](C)c2ccccc2Cl)n1N ZINC000023599190 564326162 /nfs/dbraw/zinc/32/61/62/564326162.db2.gz HGQPOIVATMFTNO-NSHDSACASA-N 0 0 399.973 3.459 40 0 GGABRN CN1C(=O)c2ccc(NC(=O)c3cc(Br)ccc3F)cc2C1=O ZINC000024021253 564328620 /nfs/dbraw/zinc/32/86/20/564328620.db2.gz NPNHCZZKHICXOF-UHFFFAOYSA-N 0 0 377.169 3.066 40 0 GGABRN COc1ccc(Br)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000024029719 564328838 /nfs/dbraw/zinc/32/88/38/564328838.db2.gz VCUGYIAERKZYEC-UHFFFAOYSA-N 0 0 399.285 3.151 40 0 GGABRN CS(=O)(=O)Nc1ccccc1NC(=O)Cc1csc(-c2ccsc2)n1 ZINC000024891511 564334715 /nfs/dbraw/zinc/33/47/15/564334715.db2.gz OYHHSORPBPXRQQ-UHFFFAOYSA-N 0 0 393.515 3.424 40 0 GGABRN O=C(CCn1cnc2ccc(Br)cc2c1=O)NC1CCCCCC1 ZINC000025153395 564335529 /nfs/dbraw/zinc/33/55/29/564335529.db2.gz IRCUOUYOXHNWHW-UHFFFAOYSA-N 0 0 392.297 3.388 40 0 GGABRN CS(=O)(=O)Nc1cccc(CNC(=O)c2csc(-c3ccsc3)n2)c1 ZINC000025239083 564336639 /nfs/dbraw/zinc/33/66/39/564336639.db2.gz DIMDOEFBWWDLLN-UHFFFAOYSA-N 0 0 393.515 3.173 40 0 GGABRN C[C@@H](NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(F)cc1 ZINC000025449932 564338773 /nfs/dbraw/zinc/33/87/73/564338773.db2.gz ZXVOMMZXKNTRQW-GFCCVEGCSA-N 0 0 384.860 3.123 40 0 GGABRN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@]1(C)CC1(Cl)Cl)CC3 ZINC000025453085 564338872 /nfs/dbraw/zinc/33/88/72/564338872.db2.gz FPOALIHWQLJIFP-KRWDZBQOSA-N 0 0 381.259 3.423 40 0 GGABRN O=C(Cn1ccccc1=O)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000025407324 564338956 /nfs/dbraw/zinc/33/89/56/564338956.db2.gz BGFCQYOJGDDQEG-UHFFFAOYSA-N 0 0 387.233 3.187 40 0 GGABRN CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000025524893 564339977 /nfs/dbraw/zinc/33/99/77/564339977.db2.gz ZCAUHMHMXCMPIU-ZDUSSCGKSA-N 0 0 384.910 3.218 40 0 GGABRN CC[C@@H](C)NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCC(C)CC2)c1 ZINC000026118049 564344428 /nfs/dbraw/zinc/34/44/28/564344428.db2.gz SJUMGYHVUKTHLB-CQSZACIVSA-N 0 0 384.567 3.357 40 0 GGABRN CSc1ccc(S(=O)(=O)NCCC(C)C)cc1C(=O)N1CCCCC1 ZINC000026116501 564344492 /nfs/dbraw/zinc/34/44/92/564344492.db2.gz BMAXNZLOKDDWMB-UHFFFAOYSA-N 0 0 384.567 3.359 40 0 GGABRN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1csc2c1CCCC2 ZINC000027154130 564352826 /nfs/dbraw/zinc/35/28/26/564352826.db2.gz WCBIEHMOUWRWEL-GFCCVEGCSA-N 0 0 378.519 3.108 40 0 GGABRN O=S(=O)(N1CCN(c2cc(Cl)ccc2Cl)CC1)N1CCCCCC1 ZINC000027194298 564352955 /nfs/dbraw/zinc/35/29/55/564352955.db2.gz OUAJJHGTTYVQHP-UHFFFAOYSA-N 0 0 392.352 3.236 40 0 GGABRN Cc1ccccc1OCC(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000027458529 564354859 /nfs/dbraw/zinc/35/48/59/564354859.db2.gz RNKBIYXKCZVBEP-UHFFFAOYSA-N 0 0 381.259 3.227 40 0 GGABRN Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)NCc1ccco1 ZINC000027936207 564357917 /nfs/dbraw/zinc/35/79/17/564357917.db2.gz IQQLFFXYACKOOB-QMMMGPOBSA-N 0 0 380.164 3.443 40 0 GGABRN Cc1nn(Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c(C)c1Br ZINC000027970695 564358097 /nfs/dbraw/zinc/35/80/97/564358097.db2.gz IZZZEMBFCAKUPD-INIZCTEOSA-N 0 0 392.297 3.220 40 0 GGABRN COc1cccc(NC(=O)NCCCn2nc(C)c(Br)c2C)c1 ZINC000027928162 564358137 /nfs/dbraw/zinc/35/81/37/564358137.db2.gz OOJQQTCEOFXNNG-UHFFFAOYSA-N 0 0 381.274 3.483 40 0 GGABRN O=S(=O)(NCc1ccc(N2CCCC2)nc1)c1cccc(Cl)c1Cl ZINC000028041002 564358600 /nfs/dbraw/zinc/35/86/00/564358600.db2.gz VEWSKAOCKKEDPZ-UHFFFAOYSA-N 0 0 386.304 3.467 40 0 GGABRN Cc1c(Cl)cccc1NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000028208350 564360441 /nfs/dbraw/zinc/36/04/41/564360441.db2.gz WLNPYYXYMYUUPL-UHFFFAOYSA-N 0 0 380.897 3.470 40 0 GGABRN Cc1nn(CCC(=O)Nc2ccc3c(c2)OCCO3)c(C)c1Br ZINC000028235174 564360526 /nfs/dbraw/zinc/36/05/26/564360526.db2.gz BOOHGNPFEXIQLU-UHFFFAOYSA-N 0 0 380.242 3.062 40 0 GGABRN CCCCCNC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1Cl ZINC000028208256 564360564 /nfs/dbraw/zinc/36/05/64/564360564.db2.gz ULDCJWPUNJPISV-UHFFFAOYSA-N 0 0 390.933 3.056 40 0 GGABRN COc1ccc(OC)c([C@H](C)NC(=O)Cn2nc(C)c(Br)c2C)c1 ZINC000028230731 564360856 /nfs/dbraw/zinc/36/08/56/564360856.db2.gz PLCLLJHUOBLCSK-JTQLQIEISA-N 0 0 396.285 3.157 40 0 GGABRN C[C@H](Cn1cc(Br)cn1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000028234115 564360900 /nfs/dbraw/zinc/36/09/00/564360900.db2.gz QMZUASJNJCQGEV-GFCCVEGCSA-N 0 0 375.270 3.122 40 0 GGABRN O=C(NCCSCc1ccsc1)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000028317846 564361631 /nfs/dbraw/zinc/36/16/31/564361631.db2.gz LYBUCJAIBYTXEH-HNNXBMFYSA-N 0 0 378.519 3.243 40 0 GGABRN O=C(CCn1cc(Br)cn1)NCc1csc(-c2ccccc2)n1 ZINC000028245475 564361794 /nfs/dbraw/zinc/36/17/94/564361794.db2.gz IYVJWRYTVXCLQN-UHFFFAOYSA-N 0 0 391.294 3.476 40 0 GGABRN CN(C)C(=O)COc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 ZINC000029229918 564367746 /nfs/dbraw/zinc/36/77/46/564367746.db2.gz PKSKVJFBFOLTIN-UHFFFAOYSA-N 0 0 391.265 3.097 40 0 GGABRN O=C(NCCOc1ccc(F)cc1)c1cccc(I)c1 ZINC000029294422 564369038 /nfs/dbraw/zinc/36/90/38/564369038.db2.gz AFMRZTDXMGPXDI-UHFFFAOYSA-N 0 0 385.176 3.239 40 0 GGABRN O=C(CSC(=S)N1CCCC1)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000029874819 564374817 /nfs/dbraw/zinc/37/48/17/564374817.db2.gz DHYZSMNTJUEAKO-UHFFFAOYSA-N 0 0 395.531 3.120 40 0 GGABRN Cc1nc(CSCCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)cs1 ZINC000030109947 564377113 /nfs/dbraw/zinc/37/71/13/564377113.db2.gz HSMRGIKMQWANEU-UHFFFAOYSA-N 0 0 381.498 3.311 40 0 GGABRN NC(=O)c1cccc(OS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000030357750 564379877 /nfs/dbraw/zinc/37/98/77/564379877.db2.gz RSHWQSOBRUMKOX-UHFFFAOYSA-N 0 0 379.743 3.225 40 0 GGABRN CN(C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)C1CCCC1 ZINC000030752192 564384105 /nfs/dbraw/zinc/38/41/05/564384105.db2.gz BCYLXWCBGDVGSM-UHFFFAOYSA-N 0 0 379.309 3.160 40 0 GGABRN CCOc1cccc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1 ZINC000030867357 564385118 /nfs/dbraw/zinc/38/51/18/564385118.db2.gz YHZPWPGRVKQERI-UHFFFAOYSA-N 0 0 382.869 3.040 40 0 GGABRN COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1Cl ZINC000030869424 564385147 /nfs/dbraw/zinc/38/51/47/564385147.db2.gz PGUDHQXJEMTCCB-UHFFFAOYSA-N 0 0 380.853 3.276 40 0 GGABRN O=C(COc1ccc(Cl)cc1)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000032117722 564396964 /nfs/dbraw/zinc/39/69/64/564396964.db2.gz WHOJEAMOKIMOHG-WFASDCNBSA-N 0 0 376.762 3.358 40 0 GGABRN COc1ccc(Br)c(C(=O)Nc2ccccc2NS(C)(=O)=O)c1 ZINC000032144427 564397122 /nfs/dbraw/zinc/39/71/22/564397122.db2.gz FOQCXXFUXCMJBU-UHFFFAOYSA-N 0 0 399.266 3.082 40 0 GGABRN C[C@H](CNC(=O)/C=C/c1cccc(Br)c1)N1C[C@@H](C)O[C@H](C)C1 ZINC000032430027 564399145 /nfs/dbraw/zinc/39/91/45/564399145.db2.gz SZAZNLLFHXIZJT-NPONBVRISA-N 0 0 381.314 3.076 40 0 GGABRN O=S1(=O)C[C@H]2N=C(SCc3ccccc3F)N(c3ccccc3)[C@@H]2C1 ZINC000032641123 564403424 /nfs/dbraw/zinc/40/34/24/564403424.db2.gz RDVLFQSBASTMGH-IAGOWNOFSA-N 0 0 376.478 3.101 40 0 GGABRN CCn1cc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)cn1 ZINC000032604059 564403799 /nfs/dbraw/zinc/40/37/99/564403799.db2.gz MKYJOEHAXJOLIK-UHFFFAOYSA-N 0 0 376.873 3.083 40 0 GGABRN O=C(NCCNC(=O)c1ccc(C2SCCCS2)cc1)c1ccco1 ZINC000032908629 564407450 /nfs/dbraw/zinc/40/74/50/564407450.db2.gz JDOIDCBWUDAOQD-UHFFFAOYSA-N 0 0 376.503 3.308 40 0 GGABRN Cc1ccc(OCCNS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 ZINC000032909091 564407560 /nfs/dbraw/zinc/40/75/60/564407560.db2.gz UAWIVHNCWQZDJI-UHFFFAOYSA-N 0 0 375.368 3.251 40 0 GGABRN Cc1nc(-c2ccc(CCNC(=O)[C@@H](C)NC(=O)C(C)(C)C)s2)cs1 ZINC000032906409 564407736 /nfs/dbraw/zinc/40/77/36/564407736.db2.gz IGYVOKLTPSRHRE-LLVKDONJSA-N 0 0 379.551 3.390 40 0 GGABRN CS(=O)(=O)Nc1cccc(NC(=O)c2cc(F)cc(Br)c2)c1 ZINC000032930057 564407741 /nfs/dbraw/zinc/40/77/41/564407741.db2.gz UCVSYSNUCGWPDN-UHFFFAOYSA-N 0 0 387.230 3.212 40 0 GGABRN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCCC1 ZINC000032975566 564408495 /nfs/dbraw/zinc/40/84/95/564408495.db2.gz VCJNDLAATXKROF-AWEZNQCLSA-N 0 0 375.321 3.467 40 0 GGABRN CCOCCCNC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C ZINC000033089237 564409732 /nfs/dbraw/zinc/40/97/32/564409732.db2.gz MCCJSVYOXPIOKZ-LLVKDONJSA-N 0 0 393.281 3.038 40 0 GGABRN C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000033777371 564414369 /nfs/dbraw/zinc/41/43/69/564414369.db2.gz LHYNJQHOPMEXBV-SECBINFHSA-N 0 0 391.251 3.438 40 0 GGABRN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1 ZINC000036106213 564415931 /nfs/dbraw/zinc/41/59/31/564415931.db2.gz PZBNGGKWZCTMQR-UHFFFAOYSA-N 0 0 377.224 3.050 40 0 GGABRN C[C@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1cccc(Br)c1 ZINC000036394351 564417216 /nfs/dbraw/zinc/41/72/16/564417216.db2.gz ONNTVJGPOGRZIN-ONGXEEELSA-N 0 0 393.203 3.037 40 0 GGABRN COc1cccc(N2C(=O)C[C@@H](Nc3ccccc3Br)C2=O)c1 ZINC000036635624 564417615 /nfs/dbraw/zinc/41/76/15/564417615.db2.gz LMWWNXLNVHTWDG-OAHLLOKOSA-N 0 0 375.222 3.202 40 0 GGABRN Cc1ccc(CS(=O)(=O)c2nsc(NC(=O)c3cccs3)n2)cc1 ZINC000036626365 564417751 /nfs/dbraw/zinc/41/77/51/564417751.db2.gz MVRMHDXECYHNMS-UHFFFAOYSA-N 0 0 379.488 3.134 40 0 GGABRN O=C1C[C@@H](c2cc(Br)ccc2OCc2ccccc2)N2N=CNC2=N1 ZINC000038185866 564422788 /nfs/dbraw/zinc/42/27/88/564422788.db2.gz JLQKMQYZGAAFRM-HNNXBMFYSA-N 0 0 399.248 3.204 40 0 GGABRN O=C1C[C@@H](c2ccc(OCc3ccc(Br)cc3)cc2)N2N=CNC2=N1 ZINC000038182860 564422826 /nfs/dbraw/zinc/42/28/26/564422826.db2.gz JKDVIQASXPCWMI-INIZCTEOSA-N 0 0 399.248 3.204 40 0 GGABRN CC[C@@H](NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1 ZINC000038752489 564423817 /nfs/dbraw/zinc/42/38/17/564423817.db2.gz OMXUUKFXSCKMBF-QGZVFWFLSA-N 0 0 380.897 3.374 40 0 GGABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000038755100 564424184 /nfs/dbraw/zinc/42/41/84/564424184.db2.gz LNNZAOKBAKDACS-AWEZNQCLSA-N 0 0 380.897 3.292 40 0 GGABRN Cc1nnc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)s1 ZINC000040073567 564425337 /nfs/dbraw/zinc/42/53/37/564425337.db2.gz ZSTPNVVFTNWTBL-LBPRGKRZSA-N 0 0 385.276 3.397 40 0 GGABRN CCN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000039985744 564425440 /nfs/dbraw/zinc/42/54/40/564425440.db2.gz XMJDDKGNFCCTAF-UHFFFAOYSA-N 0 0 388.823 3.268 40 0 GGABRN C[C@H](NC(=O)Nc1ccc(-n2cnnn2)cc1)c1cccc(Br)c1 ZINC000040103616 564425985 /nfs/dbraw/zinc/42/59/85/564425985.db2.gz QYEUQXVGTTZMIY-NSHDSACASA-N 0 0 387.241 3.308 40 0 GGABRN C[C@H](C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1)S(C)(=O)=O ZINC000040128965 564426012 /nfs/dbraw/zinc/42/60/12/564426012.db2.gz AVQWMLISSWOSKB-SSDOTTSWSA-N 0 0 379.290 3.489 40 0 GGABRN O=C(Cn1cnc2ccc(Br)cc2c1=O)Oc1cccc(Cl)c1 ZINC000040128253 564426289 /nfs/dbraw/zinc/42/62/89/564426289.db2.gz GQLDDSWHIZVTAM-UHFFFAOYSA-N 0 0 393.624 3.418 40 0 GGABRN COc1ccc(Cl)cc1CS(=O)(=O)CC(=O)N[C@H](C)CCC(C)C ZINC000040106171 564426404 /nfs/dbraw/zinc/42/64/04/564426404.db2.gz BSXZDZYOIOXSRO-CYBMUJFWSA-N 0 0 375.918 3.204 40 0 GGABRN CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000040090748 564426423 /nfs/dbraw/zinc/42/64/23/564426423.db2.gz HEGHDMOPIXRYMX-AWEZNQCLSA-N 0 0 399.925 3.216 40 0 GGABRN Nc1nc(N2CCCC2)[nH]c(=O)c1C(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000040385672 564427497 /nfs/dbraw/zinc/42/74/97/564427497.db2.gz XEFKGKPJPSOJLS-UHFFFAOYSA-N 0 0 384.292 3.047 40 0 GGABRN CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1Cl ZINC000041105567 564429061 /nfs/dbraw/zinc/42/90/61/564429061.db2.gz PSIQKPVGQKJMTQ-MRXNPFEDSA-N 0 0 385.844 3.452 40 0 GGABRN C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c3ccccc32)C[C@@H](C)O1 ZINC000041096986 564429413 /nfs/dbraw/zinc/42/94/13/564429413.db2.gz RUKFXZSQRYKHTI-VXGBXAGGSA-N 0 0 384.295 3.400 40 0 GGABRN O=S(=O)(Cc1ccc(F)cc1)NCc1nc(-c2ccccc2Cl)no1 ZINC000041154068 564430001 /nfs/dbraw/zinc/43/00/01/564430001.db2.gz FSRBXYPEDRZMLD-UHFFFAOYSA-N 0 0 381.816 3.149 40 0 GGABRN Cc1cc(F)ccc1S(=O)(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000041154027 564430366 /nfs/dbraw/zinc/43/03/66/564430366.db2.gz SECRMTSOUOMQPF-UHFFFAOYSA-N 0 0 381.816 3.316 40 0 GGABRN COc1ccccc1CNC(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000042646178 564449104 /nfs/dbraw/zinc/44/91/04/564449104.db2.gz PABDGNFDAMZVJN-UHFFFAOYSA-N 0 0 377.238 3.021 40 0 GGABRN C[C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1F)c1ccccc1 ZINC000042645887 564449142 /nfs/dbraw/zinc/44/91/42/564449142.db2.gz JZODSKQYJYEYAL-LLVKDONJSA-N 0 0 379.229 3.447 40 0 GGABRN Cc1ccc(NC(=O)C(=O)NCCCc2ccccc2)c(Br)c1 ZINC000042646416 564449170 /nfs/dbraw/zinc/44/91/70/564449170.db2.gz XBAMANISYDPILM-UHFFFAOYSA-N 0 0 375.266 3.445 40 0 GGABRN O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Br ZINC000042645815 564449267 /nfs/dbraw/zinc/44/92/67/564449267.db2.gz IWYXBENMLDIAPX-UHFFFAOYSA-N 0 0 386.249 3.228 40 0 GGABRN CC(C)(C)CC(C)(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000042705429 564449451 /nfs/dbraw/zinc/44/94/51/564449451.db2.gz ZIIQXGYJYRBSLC-CQSZACIVSA-N 0 0 386.583 3.480 40 0 GGABRN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000044841108 564474017 /nfs/dbraw/zinc/47/40/17/564474017.db2.gz MNRBJKZRBIEAPB-ZDUSSCGKSA-N 0 0 380.897 3.463 40 0 GGABRN COc1ccc(CNC(=O)Cc2cccc(Br)c2)c(OC)c1OC ZINC000124807891 564493670 /nfs/dbraw/zinc/49/36/70/564493670.db2.gz RXFQJHNDHCXKLJ-UHFFFAOYSA-N 0 0 394.265 3.334 40 0 GGABRN CN(c1ccccc1C(=O)NCc1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000047080699 564513005 /nfs/dbraw/zinc/51/30/05/564513005.db2.gz BCUAKEFWWJTOJU-UHFFFAOYSA-N 0 0 387.288 3.319 40 0 GGABRN Cc1c(Br)c2ccccc2n1CC(=O)Nc1ccc(C(N)=O)cc1 ZINC000047196177 564515343 /nfs/dbraw/zinc/51/53/43/564515343.db2.gz FMNIBDHUYVTYOA-UHFFFAOYSA-N 0 0 386.249 3.450 40 0 GGABRN Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000047213412 564515596 /nfs/dbraw/zinc/51/55/96/564515596.db2.gz FDHPVMGUNWRRDU-INIZCTEOSA-N 0 0 383.901 3.060 40 0 GGABRN O=C(C=Cc1sc2ccccc2c1Cl)NCCN1C(=O)CSC1=O ZINC000047422040 564520567 /nfs/dbraw/zinc/52/05/67/564520567.db2.gz IKIFHIPTDKJGHN-AATRIKPKSA-N 0 0 380.878 3.380 40 0 GGABRN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCCc1ccc(F)cc1 ZINC000048180128 564532429 /nfs/dbraw/zinc/53/24/29/564532429.db2.gz GZGMRQAFGLOHDZ-SNVBAGLBSA-N 0 0 399.285 3.127 40 0 GGABRN COC(=O)Nc1ccc(CNC(=O)c2cc(Br)ccc2O)cc1 ZINC000048363032 564537092 /nfs/dbraw/zinc/53/70/92/564537092.db2.gz GDRSYOSCLJSOOE-UHFFFAOYSA-N 0 0 379.210 3.263 40 0 GGABRN NS(=O)(=O)c1cccc(NC(=O)NCCc2cccc(Cl)c2Cl)c1 ZINC000048356319 564537347 /nfs/dbraw/zinc/53/73/47/564537347.db2.gz RWUNIMAWIFUPQK-UHFFFAOYSA-N 0 0 388.276 3.005 40 0 GGABRN Cc1ccc(C(=O)NCC(=O)NCCc2ccc(F)c(Br)c2)s1 ZINC000048363049 564537473 /nfs/dbraw/zinc/53/74/73/564537473.db2.gz QZJPJRQFTGMRMX-UHFFFAOYSA-N 0 0 399.285 3.047 40 0 GGABRN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CCN1CCSC1=O ZINC000048356106 564537597 /nfs/dbraw/zinc/53/75/97/564537597.db2.gz XPZYTUCFHVIOQH-UHFFFAOYSA-N 0 0 375.372 3.161 40 0 GGABRN O=S(=O)(c1cccs1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000048618355 564542774 /nfs/dbraw/zinc/54/27/74/564542774.db2.gz QYKAIOXZXWXMIB-UHFFFAOYSA-N 0 0 390.452 3.273 40 0 GGABRN COC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000048652761 564543418 /nfs/dbraw/zinc/54/34/18/564543418.db2.gz GDHJHTGRHYQJBO-UHFFFAOYSA-N 0 0 381.215 3.035 40 0 GGABRN CSc1cccc(NC(=O)CSc2nccnc2N2CCSCC2)c1 ZINC000048986548 564547824 /nfs/dbraw/zinc/54/78/24/564547824.db2.gz RLRRJTUSGMQNGT-UHFFFAOYSA-N 0 0 392.575 3.483 40 0 GGABRN COC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000055549118 564623327 /nfs/dbraw/zinc/62/33/27/564623327.db2.gz ZQTAQLXWMXLYPV-UHFFFAOYSA-N 0 0 390.244 3.346 40 0 GGABRN CCc1cc2c(ncn(CC(=O)N(C)Cc3ccc(Cl)s3)c2=O)s1 ZINC000057954202 564678548 /nfs/dbraw/zinc/67/85/48/564678548.db2.gz LYVDWJPOTQGQND-UHFFFAOYSA-N 0 0 381.910 3.394 40 0 GGABRN COc1ccc(C(=O)Oc2ccccc2S(=O)(=O)C(F)(F)F)cc1F ZINC000058175125 564680485 /nfs/dbraw/zinc/68/04/85/564680485.db2.gz ZAPABIPHHKQYNB-UHFFFAOYSA-N 0 0 378.299 3.347 40 0 GGABRN CCN(CC)C(=S)SCCNc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000059497624 564693460 /nfs/dbraw/zinc/69/34/60/564693460.db2.gz UYLKWGANQMAAFA-UHFFFAOYSA-N 0 0 378.567 3.256 40 0 GGABRN CS(=O)(=O)Nc1ccc2nc(SCC(=O)c3ccc(O)cc3)sc2c1 ZINC000059417595 564693792 /nfs/dbraw/zinc/69/37/92/564693792.db2.gz PRUIGKNTAVSVTG-UHFFFAOYSA-N 0 0 394.499 3.348 40 0 GGABRN CCCOc1ccc(Br)cc1/C=C/C(=O)NCCCC(=O)OC ZINC000062715840 564713414 /nfs/dbraw/zinc/71/34/14/564713414.db2.gz USCLXYRIRUEWDX-RMKNXTFCSA-N 0 0 384.270 3.321 40 0 GGABRN Cc1cc(C)n(-c2ccc(C(=O)Nc3cnc(Br)cn3)cc2F)n1 ZINC000132931047 564758078 /nfs/dbraw/zinc/75/80/78/564758078.db2.gz KNIRNLRNXNQVHJ-UHFFFAOYSA-N 0 0 390.216 3.433 40 0 GGABRN CCc1nc(CNS(=O)(=O)c2ccc(Br)cc2C)cs1 ZINC000133321725 564770598 /nfs/dbraw/zinc/77/05/98/564770598.db2.gz TZHBDDKDQIGJJV-UHFFFAOYSA-N 0 0 375.313 3.255 40 0 GGABRN Cc1nccn1CC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000090560576 564870524 /nfs/dbraw/zinc/87/05/24/564870524.db2.gz YZVRZWFLDRIFGT-UHFFFAOYSA-N 0 0 398.326 3.055 40 0 GGABRN CCOc1ccc([C@@H](N)c2nc(-c3ccc(Br)o3)n[nH]2)cc1OC ZINC000095534325 564899956 /nfs/dbraw/zinc/89/99/56/564899956.db2.gz RRYURFCJSUYTTJ-CQSZACIVSA-N 0 0 393.241 3.283 40 0 GGABRN COC(=O)[C@@H](c1ccc(Br)cc1[N+](=O)[O-])P(=O)(OC)OC 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CCOc1cc(C=C2SC(=S)NC2=O)ccc1O[C@@H](C)C(=O)N(C)C ZINC000097990457 564911304 /nfs/dbraw/zinc/91/13/04/564911304.db2.gz QUSHNSVDSOEBQA-RSYJBZMQSA-N 0 0 380.491 3.270 40 0 GGABRN CC[C@@]1(C(=O)c2ccc(Br)cc2)[C@@H]2[C@@]1(C(=O)OC)C(=O)OC2(C)C ZINC000101796541 564922296 /nfs/dbraw/zinc/92/22/96/564922296.db2.gz ZQBHEMWHIYVAQM-FSPWUOQZSA-N 0 0 395.249 3.153 40 0 GGABRN COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)cc1Cl ZINC000104571162 564956541 /nfs/dbraw/zinc/95/65/41/564956541.db2.gz ORXKEGKXOGPNEI-UHFFFAOYSA-N 0 0 399.881 3.281 40 0 GGABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 ZINC000108014963 565005202 /nfs/dbraw/zinc/00/52/02/565005202.db2.gz LEERQNSUHODPQW-UHFFFAOYSA-N 0 0 387.288 3.394 40 0 GGABRN COC(=O)CN(c1ccccc1Br)S(=O)(=O)c1ccc(C)cc1 ZINC000113875572 565071167 /nfs/dbraw/zinc/07/11/67/565071167.db2.gz PKDQZJJAYGPHJD-UHFFFAOYSA-N 0 0 398.278 3.126 40 0 GGABRN CCOC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000113885540 565071270 /nfs/dbraw/zinc/07/12/70/565071270.db2.gz UJEQYUMOFCUYRO-UHFFFAOYSA-N 0 0 389.807 3.377 40 0 GGABRN COc1cccc(CNS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 ZINC000113935697 565071412 /nfs/dbraw/zinc/07/14/12/565071412.db2.gz QWVNHHZSMSTKDG-UHFFFAOYSA-N 0 0 376.261 3.489 40 0 GGABRN CC(C)(C(=O)N1CCCN(C(=O)C2CC2)CC1)c1ccc(Br)cc1 ZINC000158265955 565162779 /nfs/dbraw/zinc/16/27/79/565162779.db2.gz DSTWMVIUMKNMRG-UHFFFAOYSA-N 0 0 393.325 3.198 40 0 GGABRN CS(=O)(=O)N(CC(=O)NCc1ccccc1)c1cc(Cl)ccc1Cl ZINC000164938603 565365886 /nfs/dbraw/zinc/36/58/86/565365886.db2.gz MWSPLZJZILLVEY-UHFFFAOYSA-N 0 0 387.288 3.076 40 0 GGABRN Cc1ccc(Cl)cc1S(=O)(=O)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 ZINC000190381971 565528163 /nfs/dbraw/zinc/52/81/63/565528163.db2.gz ZOKKYMCMJVJBSG-INIZCTEOSA-N 0 0 397.905 3.154 40 0 GGABRN O=C(CSC1CCCC1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390829585 565559179 /nfs/dbraw/zinc/55/91/79/565559179.db2.gz FHBIUSMWDJEDJZ-QGZVFWFLSA-N 0 0 385.526 3.190 40 0 GGABRN CC(C)CNC(=O)CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O ZINC000408627471 565614847 /nfs/dbraw/zinc/61/48/47/565614847.db2.gz MRZXDWMQDQQMCQ-UHFFFAOYSA-N 0 0 378.881 3.288 40 0 GGABRN CN(C)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409027209 565614911 /nfs/dbraw/zinc/61/49/11/565614911.db2.gz CDZXUMPQEXLBPI-UHFFFAOYSA-N 0 0 387.288 3.277 40 0 GGABRN O=C(Cc1cccc(Br)c1)NCc1cccc(N2CCCC2=O)c1 ZINC000195283160 565873413 /nfs/dbraw/zinc/87/34/13/565873413.db2.gz SHFFBKIAHGRWBM-UHFFFAOYSA-N 0 0 387.277 3.435 40 0 GGABRN O=C(CN1C(=O)S/C(=C/c2cccc(Br)c2)C1=O)N1CCCC1 ZINC000205856052 565894353 /nfs/dbraw/zinc/89/43/53/565894353.db2.gz ZLKCQXFTHKMYBP-UKTHLTGXSA-N 0 0 395.278 3.108 40 0 GGABRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2Br)C1=O ZINC000205777493 565894385 /nfs/dbraw/zinc/89/43/85/565894385.db2.gz BWWUFYOJAFSVTO-KPKJPENVSA-N 0 0 384.251 3.437 40 0 GGABRN Cc1ccc(S(=O)(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)s1 ZINC000206790717 565895064 /nfs/dbraw/zinc/89/50/64/565895064.db2.gz RXZNCURUIRNRRV-GFCCVEGCSA-N 0 0 391.440 3.028 40 0 GGABRN O=C(CN1C(=O)S/C(=C/c2ccccc2Br)C1=O)N1CCCC1 ZINC000205854921 565895118 /nfs/dbraw/zinc/89/51/18/565895118.db2.gz CUGXTFAEAZAYRL-UKTHLTGXSA-N 0 0 395.278 3.108 40 0 GGABRN COC[C@@]1(C(N)=S)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218064811 565898438 /nfs/dbraw/zinc/89/84/38/565898438.db2.gz YIPVXAFXABAGLH-XYJFISCASA-N 0 0 395.933 3.199 40 0 GGABRN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](CO)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000218230864 565898502 /nfs/dbraw/zinc/89/85/02/565898502.db2.gz XIRIUEDTMLMQSU-YESZJQIVSA-N 0 0 381.291 3.306 40 0 GGABRN COc1ccc([C@@H]2[C@@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000218126985 565898726 /nfs/dbraw/zinc/89/87/26/565898726.db2.gz KKUPSYPUKNBBPO-BZUAXINKSA-N 0 0 381.906 3.191 40 0 GGABRN COC[C@]1(C(N)=S)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218527653 565899393 /nfs/dbraw/zinc/89/93/93/565899393.db2.gz IQPCLXDDRQDROX-BQFCYCMXSA-N 0 0 395.933 3.199 40 0 GGABRN COC[C@]1(C(N)=S)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218527488 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/nfs/dbraw/zinc/26/29/98/570262998.db2.gz DRRHGMLJRGHBFS-LJQANCHMSA-N 0 0 392.496 3.304 40 0 GGABRN COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000020493300 570263308 /nfs/dbraw/zinc/26/33/08/570263308.db2.gz RZCPDIWVFPNGFJ-OAHLLOKOSA-N 0 0 388.489 3.170 40 0 GGABRN COc1ccc(S(N)(=O)=O)cc1C(=O)OCc1ccc(-c2ccccc2)cc1 ZINC000006121179 570263332 /nfs/dbraw/zinc/26/33/32/570263332.db2.gz QLEBQNWEXRRKDB-UHFFFAOYSA-N 0 0 397.452 3.367 40 0 GGABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 ZINC000020493450 570263432 /nfs/dbraw/zinc/26/34/32/570263432.db2.gz MEAKTUKRFTVBMK-SFHVURJKSA-N 0 0 396.487 3.490 40 0 GGABRN O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccc(-n2ccnc2)cc1 ZINC000020493469 570263507 /nfs/dbraw/zinc/26/35/07/570263507.db2.gz LFXMMSBVRMJGEF-UHFFFAOYSA-N 0 0 382.423 3.302 40 0 GGABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCCOC ZINC000020494952 570263937 /nfs/dbraw/zinc/26/39/37/570263937.db2.gz ZTDYTTCSXCNKOS-FQEVSTJZSA-N 0 0 384.476 3.476 40 0 GGABRN O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)NCCCc1ccccc1 ZINC000020522058 570265364 /nfs/dbraw/zinc/26/53/64/570265364.db2.gz NVJVDHQXZAZBCF-UHFFFAOYSA-N 0 0 394.427 3.336 40 0 GGABRN CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@H]1CC(C)(C)N(O)C1(C)C ZINC000100078605 570265698 /nfs/dbraw/zinc/26/56/98/570265698.db2.gz DFANVHMLBZEKBN-SFHVURJKSA-N 0 0 390.529 3.161 40 0 GGABRN Cn1nc(-c2ccccc2)cc1C(=O)N1CC(c2nc(-c3cccs3)no2)C1 ZINC000049484009 570267767 /nfs/dbraw/zinc/26/77/67/570267767.db2.gz CIZUREHUSAMPQA-UHFFFAOYSA-N 0 0 391.456 3.438 40 0 GGABRN CCn1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccccn4)o3)CC2)cn1 ZINC000100155949 570267777 /nfs/dbraw/zinc/26/77/77/570267777.db2.gz XJZHMBNUFBKLEZ-GASCZTMLSA-N 0 0 380.452 3.052 40 0 GGABRN CCc1noc(C)c1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1 ZINC000100156084 570267831 /nfs/dbraw/zinc/26/78/31/570267831.db2.gz JOMXILJKTALWSS-OKILXGFUSA-N 0 0 396.451 3.089 40 0 GGABRN O=C(CCc1ccccc1F)NC[C@H]1CC[C@H](c2ccnc3ncnn32)CC1 ZINC000100159083 570268044 /nfs/dbraw/zinc/26/80/44/570268044.db2.gz WKTJUMHSNSTLCO-WOVMCDHWSA-N 0 0 381.455 3.286 40 0 GGABRN Cc1cccc(CC(=O)NC[C@H]2CC[C@H](c3nn(C)c4nccnc43)CC2)c1 ZINC000100213953 570268854 /nfs/dbraw/zinc/26/88/54/570268854.db2.gz RKXXDKKNEJOVNE-MAEOIBBWSA-N 0 0 377.492 3.304 40 0 GGABRN CCCC(=O)N1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CC[N@@H+](C(C)C)C3 ZINC000100234035 570269788 /nfs/dbraw/zinc/26/97/88/570269788.db2.gz AACCBJIEIINLPW-GOSISDBHSA-N 0 0 385.512 3.055 40 0 GGABRN O=C(C1=NO[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(O)=C12)c1ccc(Cl)cc1 ZINC000100354710 570271178 /nfs/dbraw/zinc/27/11/78/570271178.db2.gz GNNYJOMBKVEREX-BBRMVZONSA-N 0 0 389.194 3.121 40 0 GGABRN O=C(C1=NO[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(O)=C12)c1ccccc1 ZINC000100355261 570271272 /nfs/dbraw/zinc/27/12/72/570271272.db2.gz FNTIWPRXWGGWGR-BBRMVZONSA-N 0 0 389.194 3.121 40 0 GGABRN CCOc1cccc2c(C)nc(NC3=NCN(CCc4ccccc4)CN3)nc12 ZINC000020634403 570273556 /nfs/dbraw/zinc/27/35/56/570273556.db2.gz LAVAAWSETQTWKS-UHFFFAOYSA-N 0 0 390.491 3.168 40 0 GGABRN CN1CCN(N2CN(Cc3ccccc3Cl)Cn3c4ccccc4nc32)CC1 ZINC000020637242 570273754 /nfs/dbraw/zinc/27/37/54/570273754.db2.gz HYUOODZCADMLDJ-UHFFFAOYSA-N 0 0 396.926 3.089 40 0 GGABRN CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccc(OCC)cc1 ZINC000020637463 570273773 /nfs/dbraw/zinc/27/37/73/570273773.db2.gz GAXQTHQLYDAWPM-MSOLQXFVSA-N 0 0 379.416 3.156 40 0 GGABRN CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccc(OCC)cc1 ZINC000020637460 570273817 /nfs/dbraw/zinc/27/38/17/570273817.db2.gz GAXQTHQLYDAWPM-ZWKOTPCHSA-N 0 0 379.416 3.156 40 0 GGABRN CCOC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(C)cc1)C3 ZINC000020671766 570274355 /nfs/dbraw/zinc/27/43/55/570274355.db2.gz FZNSEJZRYJZIDZ-AWEZNQCLSA-N 0 0 396.472 3.001 40 0 GGABRN CCOC(=O)CCc1c(C)nc(Nc2nc(C)c3cc(CC)ccc3n2)[nH]c1=O ZINC000020673227 570274376 /nfs/dbraw/zinc/27/43/76/570274376.db2.gz VKMUHYPAYAPKNC-UHFFFAOYSA-N 0 0 395.463 3.132 40 0 GGABRN CC(=O)N(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)C3CCCC3)CC2)nn1C ZINC000100687655 570274604 /nfs/dbraw/zinc/27/46/04/570274604.db2.gz HGUUMUAPHQBMNC-HDICACEKSA-N 0 0 388.556 3.321 40 0 GGABRN CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)C(C)(C)C)N1c3ccccc3C=C[C@@H]21 ZINC000101487882 570274857 /nfs/dbraw/zinc/27/48/57/570274857.db2.gz PRYIKQTYSFHILG-OKYOBFRVSA-N 0 0 380.488 3.287 40 0 GGABRN CCc1ccc([C@H]2CCCCCN2C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)o1 ZINC000101218089 570275120 /nfs/dbraw/zinc/27/51/20/570275120.db2.gz HWBQRTNLYNAJBO-FGTMMUONSA-N 0 0 386.492 3.461 40 0 GGABRN CCc1cc(=O)n2[n-]c([C@@H]3CC[N@H+](Cc4ccc(OCCOC)cc4)C3)cc2n1 ZINC000100727505 570275420 /nfs/dbraw/zinc/27/54/20/570275420.db2.gz UUZNHPMIWDJXIC-QGZVFWFLSA-N 0 0 396.491 3.012 40 0 GGABRN Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CC[C@H](CNC(=O)C3CC3)CC2)on1 ZINC000100743926 570275983 /nfs/dbraw/zinc/27/59/83/570275983.db2.gz YLSVKVKXGWATJT-GASCZTMLSA-N 0 0 383.496 3.306 40 0 GGABRN CCc1noc(C)c1C(=O)NC[C@H]1CC[C@H]([C@H](NC(C)=O)c2ccccn2)CC1 ZINC000100750170 570276455 /nfs/dbraw/zinc/27/64/55/570276455.db2.gz OUZYBTSUOGEILR-FVJLSDCUSA-N 0 0 398.507 3.354 40 0 GGABRN O=C(Cc1ccc(F)cc1)NCc1cc(=O)n2nc(-c3cccs3)cc2[nH]1 ZINC000100769296 570277287 /nfs/dbraw/zinc/27/72/87/570277287.db2.gz CNHDMSJNSBERGY-UHFFFAOYSA-N 0 0 382.420 3.161 40 0 GGABRN COc1cccc(C[NH2+][C@H](C)c2cc(=O)n3[n-]c(C4CCOCC4)cc3n2)c1 ZINC000100769425 570277342 /nfs/dbraw/zinc/27/73/42/570277342.db2.gz SYOCBZXYPYPGJE-CQSZACIVSA-N 0 0 382.464 3.188 40 0 GGABRN COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc3nc(C)cc(=O)n3[n-]2)c(OC)c1 ZINC000100768885 570277363 /nfs/dbraw/zinc/27/73/63/570277363.db2.gz QFTQIJRFDLSOCY-GOSISDBHSA-N 0 0 382.464 3.488 40 0 GGABRN COc1cc(C[N@@H+]2CCc3nc4cc(C)[n-]n4c(=O)c3CC2)ccc1OC(C)C ZINC000100775117 570277748 /nfs/dbraw/zinc/27/77/48/570277748.db2.gz QOBBXHUMISVOOU-UHFFFAOYSA-N 0 0 396.491 3.140 40 0 GGABRN CNC(=O)c1s/c(=N\c2ccccc2OC)n(-c2ccccc2OC)c1C ZINC000006582170 570277941 /nfs/dbraw/zinc/27/79/41/570277941.db2.gz MTQHQNGVVXWSMK-XDOYNYLZSA-N 0 0 383.473 3.456 40 0 GGABRN COc1ccc(-c2nc(SCC(=O)Nc3ccc(F)cc3F)n[nH]2)cc1 ZINC000006154403 570277980 /nfs/dbraw/zinc/27/79/80/570277980.db2.gz UHQRUFIBNWWWRR-UHFFFAOYSA-N 0 0 376.388 3.489 40 0 GGABRN Cn1ccs/c1=N/C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000100892402 570278919 /nfs/dbraw/zinc/27/89/19/570278919.db2.gz VVDUJPXPTOUEIX-XUTLUUPISA-N 0 0 397.843 3.282 40 0 GGABRN O=C(Cc1c(F)cccc1Cl)N1CCC(C(=O)Nc2ccncc2)CC1 ZINC000024701358 570279603 /nfs/dbraw/zinc/27/96/03/570279603.db2.gz GWYLVUZARXWZEY-UHFFFAOYSA-N 0 0 375.831 3.294 40 0 GGABRN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2C)cc1 ZINC000000648763 570280595 /nfs/dbraw/zinc/28/05/95/570280595.db2.gz GXBJEGSGNITVDT-CYBMUJFWSA-N 0 0 381.461 3.199 40 0 GGABRN CCc1c(C)n(CC(=O)Nc2ccc(OC)cc2)c2nc3ccccc3n2c1=O ZINC000020798344 570280889 /nfs/dbraw/zinc/28/08/89/570280889.db2.gz TWMQMHDWLQYVCU-UHFFFAOYSA-N 0 0 390.443 3.167 40 0 GGABRN CCc1c(C)n(CC(=O)Nc2ccccc2OC)c2nc3ccccc3n2c1=O ZINC000020798396 570281061 /nfs/dbraw/zinc/28/10/61/570281061.db2.gz FPCAUXIRPRZBBF-UHFFFAOYSA-N 0 0 390.443 3.167 40 0 GGABRN Cc1cc(C)n2c(nnc2S[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)n1 ZINC000020799357 570281085 /nfs/dbraw/zinc/28/10/85/570281085.db2.gz KXXAKUYIKSXKSP-MRXNPFEDSA-N 0 0 395.488 3.289 40 0 GGABRN O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000006730964 570281658 /nfs/dbraw/zinc/28/16/58/570281658.db2.gz SDJCZXLAFXMRBU-KSCDAYEDSA-N 0 0 392.499 3.231 40 0 GGABRN C[C@H]1CCCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000101253262 570281996 /nfs/dbraw/zinc/28/19/96/570281996.db2.gz UGWSTAVZBJNYSZ-LEAZDLGRSA-N 0 0 382.504 3.174 40 0 GGABRN CCCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000020766656 570283338 /nfs/dbraw/zinc/28/33/38/570283338.db2.gz RSJSXAAJFQXADD-UHFFFAOYSA-N 0 0 390.480 3.497 40 0 GGABRN CCOC(=O)[C@H]1CCCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000020902780 570283693 /nfs/dbraw/zinc/28/36/93/570283693.db2.gz GFQLWKMJLSMRCN-AWEZNQCLSA-N 0 0 391.855 3.124 40 0 GGABRN O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCc1ccccc1 ZINC000000653229 570285327 /nfs/dbraw/zinc/28/53/27/570285327.db2.gz NHMPHCUVZXPKSZ-UHFFFAOYSA-N 0 0 398.459 3.337 40 0 GGABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1[C@H]1CC=CCC1 ZINC000020802380 570287189 /nfs/dbraw/zinc/28/71/89/570287189.db2.gz TZENWCQQPGGTGF-SNRMKQJTSA-N 0 0 397.475 3.106 40 0 GGABRN CCCc1c(C(=O)OCC)nnc2c(-c3ccc(OC)cc3)c(COC)nn21 ZINC000021006178 570287256 /nfs/dbraw/zinc/28/72/56/570287256.db2.gz HXAFRXMMJCSTRZ-UHFFFAOYSA-N 0 0 384.436 3.076 40 0 GGABRN Cc1nnc(CN(C)C(=O)NCc2cn(-c3ccccc3)nc2C(C)C)s1 ZINC000664425245 570287339 /nfs/dbraw/zinc/28/73/39/570287339.db2.gz ILPQCNONWBZIEY-UHFFFAOYSA-N 0 0 384.509 3.497 40 0 GGABRN CC[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1C ZINC000021031801 570287459 /nfs/dbraw/zinc/28/74/59/570287459.db2.gz IDKVXAKCKWXNFE-GOSISDBHSA-N 0 0 388.533 3.409 40 0 GGABRN COc1ccc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000021117312 570288338 /nfs/dbraw/zinc/28/83/38/570288338.db2.gz JOAZEIIALSUJTI-UHFFFAOYSA-N 0 0 383.473 3.224 40 0 GGABRN COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3ccc(C)c(C)c3)C1=O)CC2 ZINC000102332013 570288549 /nfs/dbraw/zinc/28/85/49/570288549.db2.gz BAMQWIQXBHLQFR-LJQANCHMSA-N 0 0 394.471 3.011 40 0 GGABRN O=C(Nc1ccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1)NC1CC1 ZINC000024745023 570288750 /nfs/dbraw/zinc/28/87/50/570288750.db2.gz BDWWDKCJIARPNK-UHFFFAOYSA-N 0 0 392.459 3.459 40 0 GGABRN CN(CCOc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000021189818 570288902 /nfs/dbraw/zinc/28/89/02/570288902.db2.gz YDXJIPHGZJKERR-UHFFFAOYSA-N 0 0 395.912 3.035 40 0 GGABRN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC3CCCCC3)c2)C[C@H](C)O1 ZINC000021365400 570291057 /nfs/dbraw/zinc/29/10/57/570291057.db2.gz UGEUTRWZYZSXEB-IYBDPMFKSA-N 0 0 395.521 3.222 40 0 GGABRN O=C(CNC(=O)c1ccc(Cl)cc1)Nc1nc(CN2CCCCC2)cs1 ZINC000024769029 570293138 /nfs/dbraw/zinc/29/31/38/570293138.db2.gz LCIDXPTVTDPHHQ-UHFFFAOYSA-N 0 0 392.912 3.151 40 0 GGABRN COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(-c2cccc(C)c2)n1 ZINC000216027386 570294623 /nfs/dbraw/zinc/29/46/23/570294623.db2.gz NNZVJQTXTZRTCN-UHFFFAOYSA-N 0 0 382.445 3.298 40 0 GGABRN Cc1ccc(N2C[C@@H](c3nnc(NC(=O)c4cccc(F)c4)o3)CC2=O)cc1 ZINC000021777929 570295534 /nfs/dbraw/zinc/29/55/34/570295534.db2.gz COZXWQZRKLIEMD-AWEZNQCLSA-N 0 0 380.379 3.290 40 0 GGABRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c(C)c1 ZINC000001289341 570295698 /nfs/dbraw/zinc/29/56/98/570295698.db2.gz RGPHNWDLSBRQLF-SFHVURJKSA-N 0 0 394.471 3.455 40 0 GGABRN CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000001289922 570295734 /nfs/dbraw/zinc/29/57/34/570295734.db2.gz HSJCEXRNSPWYEX-GOSISDBHSA-N 0 0 394.471 3.346 40 0 GGABRN CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000021450795 570296042 /nfs/dbraw/zinc/29/60/42/570296042.db2.gz OGRWWQGOSNKKKJ-QGZVFWFLSA-N 0 0 393.487 3.435 40 0 GGABRN CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 ZINC000001290007 570296797 /nfs/dbraw/zinc/29/67/97/570296797.db2.gz SGVZQTXKJZHCNM-SFHVURJKSA-N 0 0 394.471 3.346 40 0 GGABRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c(C)c1 ZINC000001290152 570297027 /nfs/dbraw/zinc/29/70/27/570297027.db2.gz HVRYFNGWNXHNNK-IEBWSBKVSA-N 0 0 394.471 3.395 40 0 GGABRN CCOc1ccc(N([C@@H](C)C(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)cc1 ZINC000002080317 570298236 /nfs/dbraw/zinc/29/82/36/570298236.db2.gz KSVBUGSEDFYJMO-HNNXBMFYSA-N 0 0 384.542 3.037 40 0 GGABRN O=C1CCCN1c1ccc(S(=O)(=O)NCCCc2ccc(Cl)cc2)cc1 ZINC000216274708 570298325 /nfs/dbraw/zinc/29/83/25/570298325.db2.gz CJNWYWZIUKARGZ-UHFFFAOYSA-N 0 0 392.908 3.378 40 0 GGABRN CC(C)CCNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000002432495 570299209 /nfs/dbraw/zinc/29/92/09/570299209.db2.gz MOGXQYCQZAFGJJ-UHFFFAOYSA-N 0 0 392.496 3.179 40 0 GGABRN CCCn1nnc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)n1 ZINC000002410627 570299253 /nfs/dbraw/zinc/29/92/53/570299253.db2.gz YYNFZBWGKVXEEV-UHFFFAOYSA-N 0 0 375.388 3.109 40 0 GGABRN Cc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000216339434 570299246 /nfs/dbraw/zinc/29/92/46/570299246.db2.gz ZPKIWGXYVCZZJD-LSDHHAIUSA-N 0 0 378.469 3.166 40 0 GGABRN COc1ccccc1CN(C)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1 ZINC000021923033 570299282 /nfs/dbraw/zinc/29/92/82/570299282.db2.gz HCLSLDIKOQBINW-UHFFFAOYSA-N 0 0 379.460 3.070 40 0 GGABRN CCOc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000216358695 570299619 /nfs/dbraw/zinc/29/96/19/570299619.db2.gz SBMOFKASIHUOIU-CVEARBPZSA-N 0 0 390.505 3.117 40 0 GGABRN COc1ccc(/C=C/C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1OC ZINC000006407264 570300551 /nfs/dbraw/zinc/30/05/51/570300551.db2.gz COVLLXANHVEFOK-ANVDCPLUSA-N 0 0 375.465 3.201 40 0 GGABRN CCCCNC(=O)c1ccccc1NC(=O)c1cccc(CN2CCOCC2)c1 ZINC000216416648 570300859 /nfs/dbraw/zinc/30/08/59/570300859.db2.gz DPONWGKPXUQGMF-UHFFFAOYSA-N 0 0 395.503 3.301 40 0 GGABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N(C)c3ccccc3)CC2)cc1 ZINC000216435810 570301714 /nfs/dbraw/zinc/30/17/14/570301714.db2.gz YTSDOXLSORLQJU-UHFFFAOYSA-N 0 0 386.517 3.200 40 0 GGABRN Cc1ccc(Cn2ccs/c2=N\C(=O)CCNC(=O)Cc2ccccc2)cc1 ZINC000101918574 570302060 /nfs/dbraw/zinc/30/20/60/570302060.db2.gz BQOWLJUPABAXJW-GYHWCHFESA-N 0 0 393.512 3.083 40 0 GGABRN COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCC(=O)N1CCCCC1 ZINC000575411017 570302363 /nfs/dbraw/zinc/30/23/63/570302363.db2.gz XPVBVNWLDRHSCU-UHFFFAOYSA-N 0 0 393.443 3.402 40 0 GGABRN COC(=O)c1ccc(C)c(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1 ZINC000216474508 570302374 /nfs/dbraw/zinc/30/23/74/570302374.db2.gz BFFFGBSFXGZDQA-UHFFFAOYSA-N 0 0 396.852 3.059 40 0 GGABRN C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N1CCN(Cc2ccccc2)CC1 ZINC000022025268 570302739 /nfs/dbraw/zinc/30/27/39/570302739.db2.gz VUWGUXSBQAEDCK-CVDCTZTESA-N 0 0 377.532 3.387 40 0 GGABRN C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N1CCN(Cc2ccccc2)CC1 ZINC000022025265 570302765 /nfs/dbraw/zinc/30/27/65/570302765.db2.gz VUWGUXSBQAEDCK-AUSIDOKSSA-N 0 0 377.532 3.387 40 0 GGABRN 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CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)N(C(=O)C2CCC2)CC[C@@]1(C)O ZINC000604383082 570353598 /nfs/dbraw/zinc/35/35/98/570353598.db2.gz GQWGXRCXLHMSJV-BBTUJRGHSA-N 0 0 392.565 3.494 40 0 biogenic,in-vitro GGABRN CC[C@H](NC(=O)[C@H](C)Oc1cccc(OC)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000219307455 570353601 /nfs/dbraw/zinc/35/36/01/570353601.db2.gz PYYPVDBUCIWUSZ-LIRRHRJNSA-N 0 0 391.489 3.134 40 0 GGABRN COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cccc(C)c3C)n2)cc1 ZINC000219311312 570354064 /nfs/dbraw/zinc/35/40/64/570354064.db2.gz GBJOZDMVWKWUKN-OAHLLOKOSA-N 0 0 381.432 3.446 40 0 GGABRN COc1cccc(O[C@@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)c1 ZINC000219307915 570354093 /nfs/dbraw/zinc/35/40/93/570354093.db2.gz MOSWCFFTJUTGCJ-LBPRGKRZSA-N 0 0 387.823 3.482 40 0 GGABRN C[C@@]1(O)CCN(C(=O)C2CC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000604383273 570354139 /nfs/dbraw/zinc/35/41/39/570354139.db2.gz RCWPBTWKZRVOCB-SXWKCWPCSA-N 0 0 396.462 3.059 40 0 biogenic,in-vitro GGABRN CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(OC)cc2OC)cc1 ZINC000057313028 570356190 /nfs/dbraw/zinc/35/61/90/570356190.db2.gz HORYHGYUVUCYGB-UHFFFAOYSA-N 0 0 387.461 3.179 40 0 GGABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC000390827660 570356291 /nfs/dbraw/zinc/35/62/91/570356291.db2.gz IPPHIWFQFZFNGZ-OAHLLOKOSA-N 0 0 379.819 3.106 40 0 GGABRN CC[C@H](C)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(OC)cc1 ZINC000004093229 570357485 /nfs/dbraw/zinc/35/74/85/570357485.db2.gz HREJYXXQVQUFQC-AWEZNQCLSA-N 0 0 397.504 3.345 40 0 GGABRN CCc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000260593159 570359303 /nfs/dbraw/zinc/35/93/03/570359303.db2.gz XPXXHUAMZTZZJL-CABCVRRESA-N 0 0 392.496 3.420 40 0 GGABRN COCCCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccco1 ZINC000004161449 570360527 /nfs/dbraw/zinc/36/05/27/570360527.db2.gz GPCBEACRWQFNAG-UHFFFAOYSA-N 0 0 378.498 3.116 40 0 GGABRN O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(F)c(Cl)c1 ZINC000219435173 570360744 /nfs/dbraw/zinc/36/07/44/570360744.db2.gz WJWPFMYCPMZMIG-UHFFFAOYSA-N 0 0 396.827 3.043 40 0 GGABRN CCC(=O)Nc1cc(C(=O)OCC(=O)c2ccc(OC(C)=O)cc2)ccc1C ZINC000006348869 570360788 /nfs/dbraw/zinc/36/07/88/570360788.db2.gz MYWVIOXINLAQHK-UHFFFAOYSA-N 0 0 383.400 3.309 40 0 GGABRN COCCCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccncc1 ZINC000004169282 570360899 /nfs/dbraw/zinc/36/08/99/570360899.db2.gz BYSQATYKCOPFQS-UHFFFAOYSA-N 0 0 397.504 3.416 40 0 GGABRN CCc1ncnc(O[C@H]2CCN(C(=O)c3cccc(OC(F)(F)F)c3)C2)c1F ZINC000390828817 570361721 /nfs/dbraw/zinc/36/17/21/570361721.db2.gz UOXRJTCIMDSVFM-ZDUSSCGKSA-N 0 0 399.344 3.370 40 0 GGABRN CCOC(=O)c1sc2[nH]c([C@@H](C)OC(=O)[C@H]3CC=CCC3)nc(=O)c2c1C ZINC000006291462 570363656 /nfs/dbraw/zinc/36/36/56/570363656.db2.gz IYAASOFNBIIEJG-NEPJUHHUSA-N 0 0 390.461 3.430 40 0 GGABRN CCOC(=O)c1sc2[nH]c([C@@H](C)OC(=O)[C@@H]3CC=CCC3)nc(=O)c2c1C ZINC000006291464 570363714 /nfs/dbraw/zinc/36/37/14/570363714.db2.gz IYAASOFNBIIEJG-VXGBXAGGSA-N 0 0 390.461 3.430 40 0 GGABRN CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1OC)c1ccc(S(C)(=O)=O)cc1 ZINC000219504948 570364732 /nfs/dbraw/zinc/36/47/32/570364732.db2.gz HLMUNKWZTVKBGZ-WMLDXEAASA-N 0 0 391.489 3.134 40 0 GGABRN COc1ccccc1O[C@@H](C)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000219506013 570364820 /nfs/dbraw/zinc/36/48/20/570364820.db2.gz XASWHHOCGJIKPM-LBPRGKRZSA-N 0 0 387.823 3.482 40 0 GGABRN CC[C@H](c1nnnn1CCc1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000057671826 570364852 /nfs/dbraw/zinc/36/48/52/570364852.db2.gz WGCAUOPGHMQUSW-HXUWFJFHSA-N 0 0 394.498 3.328 40 0 GGABRN Cc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCSCC2)cc1 ZINC000057675045 570364924 /nfs/dbraw/zinc/36/49/24/570364924.db2.gz ONDBOJRMDBRDNH-FQEVSTJZSA-N 0 0 379.533 3.362 40 0 GGABRN Cc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCSCC2)cc1 ZINC000057675046 570365271 /nfs/dbraw/zinc/36/52/71/570365271.db2.gz ONDBOJRMDBRDNH-HXUWFJFHSA-N 0 0 379.533 3.362 40 0 GGABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N(CC)CC)C2CCCCC2)cc1 ZINC000408618841 570365374 /nfs/dbraw/zinc/36/53/74/570365374.db2.gz GKACSCIXLYTVMJ-UHFFFAOYSA-N 0 0 396.553 3.277 40 0 GGABRN COc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(C)c(C)c3)n2)c1 ZINC000219521215 570365585 /nfs/dbraw/zinc/36/55/85/570365585.db2.gz ICBWMKVKYCIWAL-HNNXBMFYSA-N 0 0 381.432 3.446 40 0 GGABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@H](CN1CCOCC1)C2=O ZINC000118915050 570366940 /nfs/dbraw/zinc/36/69/40/570366940.db2.gz OXMJWUNKEJJKIF-NHPREHGTSA-N 0 0 387.564 3.438 40 0 GGABRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@H]1SC3=NCCN3[C@]12O ZINC000118916327 570367305 /nfs/dbraw/zinc/36/73/05/570367305.db2.gz OFMZCVPRTZVTPR-MZWDUYSNSA-N 0 0 390.593 3.476 40 0 GGABRN CCC(C)(C)n1nnnc1[C@H](C(C)C)N1CCN(c2cccc(OC)c2)CC1 ZINC000057669892 570367593 /nfs/dbraw/zinc/36/75/93/570367593.db2.gz PRCXEAIKTNTZLX-IBGZPJMESA-N 0 0 386.544 3.346 40 0 GGABRN CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2cccc(C)c2C)CC1 ZINC000057670265 570367960 /nfs/dbraw/zinc/36/79/60/570367960.db2.gz UQMUDMJIAPHPJV-FPOVZHCZSA-N 0 0 398.555 3.132 40 0 GGABRN Cc1ccc(C)c(N2CCN([C@@H](c3nnnn3Cc3ccco3)C(C)C)CC2)c1 ZINC000057671171 570368218 /nfs/dbraw/zinc/36/82/18/570368218.db2.gz UWMKOHBOYKGTDR-OAQYLSRUSA-N 0 0 394.523 3.451 40 0 GGABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC(=O)[C@@H]32)C1 ZINC000118928623 570368583 /nfs/dbraw/zinc/36/85/83/570368583.db2.gz RSBZZVJLNTXCGU-PPXZIYOYSA-N 0 0 390.520 3.460 40 0 GGABRN CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C ZINC000118929135 570368604 /nfs/dbraw/zinc/36/86/04/570368604.db2.gz YTIFPFDLNLNNEY-IJYIGKBQSA-N 0 0 390.520 3.317 40 0 GGABRN CCOC(=O)c1c(NC(=O)COC(=O)[C@H]2C[C@H]2C)sc2c1CC[C@@H](C)C2 ZINC000035396558 570368709 /nfs/dbraw/zinc/36/87/09/570368709.db2.gz IGAPZZAOHIGYGY-WZRBSPASSA-N 0 0 379.478 3.187 40 0 GGABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@@](O)(C(C)=O)[C@@]4(C)CC(=O)[C@@H]32)C1 ZINC000118928619 570368723 /nfs/dbraw/zinc/36/87/23/570368723.db2.gz RSBZZVJLNTXCGU-JOYHNXQRSA-N 0 0 390.520 3.460 40 0 GGABRN Cc1ccc(C)c(N2CCN([C@H](c3nnnn3Cc3ccco3)C(C)C)CC2)c1 ZINC000057671181 570368770 /nfs/dbraw/zinc/36/87/70/570368770.db2.gz UWMKOHBOYKGTDR-NRFANRHFSA-N 0 0 394.523 3.451 40 0 GGABRN COc1ccc(CCNC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1OC ZINC000004920840 570369477 /nfs/dbraw/zinc/36/94/77/570369477.db2.gz IGDZAZVUWUBVSH-UHFFFAOYSA-N 0 0 395.459 3.354 40 0 biogenic GGABRN Cc1cccc(N(CC(=O)Nc2cccc(OC(C)C)c2)S(C)(=O)=O)c1C ZINC000408619788 570369999 /nfs/dbraw/zinc/36/99/99/570369999.db2.gz NKGNOOLLSHWPEH-UHFFFAOYSA-N 0 0 390.505 3.495 40 0 GGABRN CCOc1ccc(N(CC(=O)NC2CCCCCCC2)S(C)(=O)=O)cc1 ZINC000408619790 570370154 /nfs/dbraw/zinc/37/01/54/570370154.db2.gz NLJNERVJSKYUIC-UHFFFAOYSA-N 0 0 382.526 3.080 40 0 GGABRN CC(C)(C)n1nnnc1[C@H](c1ccncc1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000057710911 570370385 /nfs/dbraw/zinc/37/03/85/570370385.db2.gz JEHZPNOTQHSBFL-OALUTQOASA-N 0 0 396.495 3.187 40 0 GGABRN CC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000004927960 570371232 /nfs/dbraw/zinc/37/12/32/570371232.db2.gz DFXQMBHLUXRNAU-JLTOFOAXSA-N 0 0 380.444 3.384 40 0 GGABRN Cc1ccc(N(CCCC(=O)NCCCc2ccccc2)S(C)(=O)=O)cc1 ZINC000219626360 570371713 /nfs/dbraw/zinc/37/17/13/570371713.db2.gz RUGPRNTYIZZNMV-UHFFFAOYSA-N 0 0 388.533 3.290 40 0 GGABRN O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N1CCCc2ccccc21 ZINC000004932802 570372424 /nfs/dbraw/zinc/37/24/24/570372424.db2.gz XBSKQGMXXPNBMJ-UHFFFAOYSA-N 0 0 387.365 3.338 40 0 GGABRN CC(C)c1ccc(NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000004393287 570373435 /nfs/dbraw/zinc/37/34/35/570373435.db2.gz WNRQOFLAVKWMII-RDHIYWLCSA-N 0 0 391.464 3.145 40 0 GGABRN CC(C)c1ccc(NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)cc1 ZINC000004393284 570373510 /nfs/dbraw/zinc/37/35/10/570373510.db2.gz WNRQOFLAVKWMII-CWLGOENISA-N 0 0 391.464 3.145 40 0 GGABRN CCOc1ccccc1NC(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000219708263 570373949 /nfs/dbraw/zinc/37/39/49/570373949.db2.gz HNBUACLWUVEWMN-UHFFFAOYSA-N 0 0 376.478 3.125 40 0 GGABRN CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000022691998 570374100 /nfs/dbraw/zinc/37/41/00/570374100.db2.gz TXUGTWLTYSXFDO-IBGZPJMESA-N 0 0 391.581 3.113 40 0 GGABRN C[C@H](CCc1ccccc1)NC(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000219719292 570374396 /nfs/dbraw/zinc/37/43/96/570374396.db2.gz PNWUVLBYPOIMGB-GOSISDBHSA-N 0 0 388.533 3.225 40 0 GGABRN COC(=O)c1ccccc1NC(=O)CCc1nc(-c2ccc(OC)cc2)no1 ZINC000004933099 570374446 /nfs/dbraw/zinc/37/44/46/570374446.db2.gz DAAYTOUDYWOVKW-UHFFFAOYSA-N 0 0 381.388 3.103 40 0 biogenic GGABRN O=C(NCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000004938391 570374902 /nfs/dbraw/zinc/37/49/02/570374902.db2.gz WWMNYCGXWSWXPW-NRFANRHFSA-N 0 0 394.496 3.309 40 0 GGABRN CCOC(=O)c1ccc(NC(=O)c2cccn(Cc3ccccc3)c2=O)cc1 ZINC000004940250 570376282 /nfs/dbraw/zinc/37/62/82/570376282.db2.gz VCHNSMJIYZSKOR-UHFFFAOYSA-N 0 0 376.412 3.326 40 0 GGABRN CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000006314112 570376359 /nfs/dbraw/zinc/37/63/59/570376359.db2.gz SBPABEPMBXETFR-UHFFFAOYSA-N 0 0 392.496 3.078 40 0 GGABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Cl)c(C)c1 ZINC000408625316 570376815 /nfs/dbraw/zinc/37/68/15/570376815.db2.gz RXJPGGKBAOZFPA-UHFFFAOYSA-N 0 0 396.896 3.354 40 0 GGABRN CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O ZINC000006629795 570376977 /nfs/dbraw/zinc/37/69/77/570376977.db2.gz ZPMRMDJQBWTSTN-LGMDPLHJSA-N 0 0 387.505 3.192 40 0 GGABRN Cc1noc(C)c1COc1cccc(C(=O)Nc2cccc(-n3cnnn3)c2)c1 ZINC000024016117 570376998 /nfs/dbraw/zinc/37/69/98/570376998.db2.gz IUOAHUFBEXUCBV-UHFFFAOYSA-N 0 0 390.403 3.098 40 0 GGABRN Cc1cc(S(=O)(=O)NCCCOC(C)C)ccc1NC(=O)c1ccccc1 ZINC000408625531 570377139 /nfs/dbraw/zinc/37/71/39/570377139.db2.gz SVCLYOKBOURVPN-UHFFFAOYSA-N 0 0 390.505 3.341 40 0 GGABRN COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc3oc(=O)ccc3c2)cc1 ZINC000408625948 570377447 /nfs/dbraw/zinc/37/74/47/570377447.db2.gz GDOXWNVRBLUSKA-ONNFQVAWSA-N 0 0 380.425 3.328 40 0 GGABRN 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COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C ZINC000222765760 570424703 /nfs/dbraw/zinc/42/47/03/570424703.db2.gz CASWEWMNBBDUDX-RBUKOAKNSA-N 0 0 392.484 3.261 40 0 GGABRN COC(=O)c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c1 ZINC000222766019 570424773 /nfs/dbraw/zinc/42/47/73/570424773.db2.gz ZMEXKJGUQZSKNW-RBUKOAKNSA-N 0 0 392.484 3.261 40 0 GGABRN C[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000222766773 570424778 /nfs/dbraw/zinc/42/47/78/570424778.db2.gz HPKNAUSOPMDRBK-DENIHFKCSA-N 0 0 394.515 3.332 40 0 GGABRN CCN(CC)C(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1C ZINC000007361754 570425037 /nfs/dbraw/zinc/42/50/37/570425037.db2.gz CVFXHPFKOCLLEB-UHFFFAOYSA-N 0 0 376.478 3.043 40 0 GGABRN COc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C(C)C ZINC000007380421 570425694 /nfs/dbraw/zinc/42/56/94/570425694.db2.gz APXNLMMCUDQMID-UHFFFAOYSA-N 0 0 392.496 3.469 40 0 GGABRN C[C@@H]1CN(C(=O)c2ccccc2NC(=O)Cc2noc3ccccc23)C[C@H](C)O1 ZINC000026546622 570426947 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PLEMJHHZLVONCC-SFHVURJKSA-N 0 0 398.503 3.060 40 0 GGABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc(F)cc1 ZINC000222910161 570430925 /nfs/dbraw/zinc/43/09/25/570430925.db2.gz ZUFJEPZLMWOLFM-MRXNPFEDSA-N 0 0 388.508 3.265 40 0 GGABRN CCc1ccc([C@@H]2CCCCCN2C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)o1 ZINC000240757065 570431034 /nfs/dbraw/zinc/43/10/34/570431034.db2.gz HWBQRTNLYNAJBO-KURKYZTESA-N 0 0 386.492 3.461 40 0 GGABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1cccc(C)c1 ZINC000222916231 570431162 /nfs/dbraw/zinc/43/11/62/570431162.db2.gz PTKQEMWLYLTYBT-GOSISDBHSA-N 0 0 384.545 3.434 40 0 GGABRN CCCNC(=O)c1cnn2c1N[C@@H](c1ccc3c(c1)OCO3)C[C@@H]2C(F)(F)F ZINC000005200825 570431255 /nfs/dbraw/zinc/43/12/55/570431255.db2.gz BRGUJJOGUPZFEK-IUODEOHRSA-N 0 0 396.369 3.412 40 0 GGABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1cccc(C)c1 ZINC000222916295 570431421 /nfs/dbraw/zinc/43/14/21/570431421.db2.gz PTKQEMWLYLTYBT-SFHVURJKSA-N 0 0 384.545 3.434 40 0 GGABRN C[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000222929094 570431693 /nfs/dbraw/zinc/43/16/93/570431693.db2.gz UCJQXOKWDDIREK-HNNXBMFYSA-N 0 0 386.517 3.452 40 0 GGABRN COc1cccc(OC)c1C(=O)N(C)Cc1cc(OC)c(OC)c(OC)c1 ZINC000222955987 570433188 /nfs/dbraw/zinc/43/31/88/570433188.db2.gz RXWBQELHMMUTCP-UHFFFAOYSA-N 0 0 375.421 3.002 40 0 GGABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-n2cnnc2)c1C ZINC000222954750 570433219 /nfs/dbraw/zinc/43/32/19/570433219.db2.gz HQSRVXXGTVGEEC-OALUTQOASA-N 0 0 395.536 3.175 40 0 GGABRN C[C@@H](NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccc2c(c1)CCCC2 ZINC000222958777 570433545 /nfs/dbraw/zinc/43/35/45/570433545.db2.gz JFSXFMXYMGIJHB-YSGRDPCXSA-N 0 0 380.488 3.084 40 0 GGABRN CCCC1=NC(=O)C(C(c2ccccc2)C2C(=O)N=C(CCC)NC2=O)C(=O)N1 ZINC000005313673 570433656 /nfs/dbraw/zinc/43/36/56/570433656.db2.gz NCDSWVAGWZVUPP-UHFFFAOYSA-N 0 0 396.447 3.174 40 0 GGABRN CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCOC)cc1OCC ZINC000027408726 570434491 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CC(C)(Oc1ccc(F)cc1)C(=O)N1CC[C@@H](C(=O)NCCc2ccccc2)C1 ZINC000019747975 204679821 /nfs/dbraw/zinc/67/98/21/204679821.db2.gz NGCKSKUCJLXANB-GOSISDBHSA-N 0 0 398.478 3.191 40 0 GGABRN Cc1ccc2c(cc(C(=O)N3CC[C@H](C(=O)NCCc4ccccc4)C3)n2C)c1 ZINC000019747867 204679958 /nfs/dbraw/zinc/67/99/58/204679958.db2.gz VCAVMRHPQVLSIN-IBGZPJMESA-N 0 0 389.499 3.308 40 0 GGABRN CC(=O)N1CCC[C@@H](c2nc3c(c(C)n2)CC(=O)N3CCCc2ccccc2)C1 ZINC000019744506 204680428 /nfs/dbraw/zinc/68/04/28/204680428.db2.gz BPCQWGMVZOFWMQ-LJQANCHMSA-N 0 0 392.503 3.033 40 0 GGABRN O=C(C[C@@H]1CCCO1)Nc1cnn(CC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000019746125 204680778 /nfs/dbraw/zinc/68/07/78/204680778.db2.gz WFYFLCWWLKIMKY-HNNXBMFYSA-N 0 0 396.369 3.048 40 0 GGABRN COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1C ZINC000019931753 204693032 /nfs/dbraw/zinc/69/30/32/204693032.db2.gz WVSFIUBDSUCGAG-KRWDZBQOSA-N 0 0 384.476 3.476 40 0 GGABRN Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cc1C ZINC000019935587 204693232 /nfs/dbraw/zinc/69/32/32/204693232.db2.gz LCKQABSWQQWBRP-UHFFFAOYSA-N 0 0 376.453 3.479 40 0 GGABRN O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc(Cl)cc1 ZINC000019930541 204693583 /nfs/dbraw/zinc/69/35/83/204693583.db2.gz VPEACRZBGSTXMF-UHFFFAOYSA-N 0 0 378.881 3.352 40 0 GGABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)cc1 ZINC000019933009 204694386 /nfs/dbraw/zinc/69/43/86/204694386.db2.gz HPCIXXNCLAMSJO-HNNXBMFYSA-N 0 0 390.505 3.362 40 0 GGABRN CCOC(=O)Cn1c(=O)c2c(-c3ccccc3)ccnc2nc1N1CCCCC1 ZINC000019973908 204696045 /nfs/dbraw/zinc/69/60/45/204696045.db2.gz KOAKZNSBNFLLHO-UHFFFAOYSA-N 0 0 392.459 3.012 40 0 GGABRN CCC(=O)Nc1cc(S(=O)(=O)N[C@H](C)c2ccccc2OC)ccc1OC ZINC000020025239 204696661 /nfs/dbraw/zinc/69/66/61/204696661.db2.gz CJVCGMZPGSIIHF-CYBMUJFWSA-N 0 0 392.477 3.092 40 0 GGABRN CCN(CC(=O)N[C@@H](C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000020014827 204696675 /nfs/dbraw/zinc/69/66/75/204696675.db2.gz VZCISYITHNIGNA-ZDUSSCGKSA-N 0 0 398.887 3.367 40 0 GGABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(F)ccc2F)cc1 ZINC000020013921 204697280 /nfs/dbraw/zinc/69/72/80/204697280.db2.gz RYXTZCVFAMJUEE-UHFFFAOYSA-N 0 0 398.431 3.013 40 0 GGABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)c(F)c3)C2)cc1 ZINC000020016568 204697882 /nfs/dbraw/zinc/69/78/82/204697882.db2.gz HYOQCQLXQWLKCC-CQSZACIVSA-N 0 0 394.443 3.313 40 0 GGABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)Cc1ccc(Cl)cc1 ZINC000020040198 204699120 /nfs/dbraw/zinc/69/91/20/204699120.db2.gz BPHRXYXRNSYZQT-UHFFFAOYSA-N 0 0 396.896 3.217 40 0 GGABRN COCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C ZINC000020106160 204700160 /nfs/dbraw/zinc/70/01/60/204700160.db2.gz BPBUNCKIYZJDKT-KRWDZBQOSA-N 0 0 384.476 3.394 40 0 GGABRN CC[C@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(C)cc1 ZINC000020104303 204700423 /nfs/dbraw/zinc/70/04/23/204700423.db2.gz ZKWMNBRFSWLOLO-KRWDZBQOSA-N 0 0 378.469 3.168 40 0 GGABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000020487337 204722492 /nfs/dbraw/zinc/72/24/92/204722492.db2.gz JVXUKEQBWCHYEI-KRWDZBQOSA-N 0 0 376.478 3.187 40 0 GGABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000020493327 204722967 /nfs/dbraw/zinc/72/29/67/204722967.db2.gz VLAVXBGOSYUIEB-KRWDZBQOSA-N 0 0 392.546 3.416 40 0 GGABRN Cc1nn2c(nc(COc3cccc(NC(=O)c4cccs4)c3)cc2=O)s1 ZINC000020859123 204741972 /nfs/dbraw/zinc/74/19/72/204741972.db2.gz ZKQIHRVYKDPQRT-UHFFFAOYSA-N 0 0 398.469 3.352 40 0 GGABRN NC(=O)CSc1nc2ccc(NC(=O)COc3ccc(F)cc3)cc2s1 ZINC000020895328 204744245 /nfs/dbraw/zinc/74/42/45/204744245.db2.gz LTTKHVJUIBAULS-UHFFFAOYSA-N 0 0 391.449 3.030 40 0 GGABRN COc1ccc(-c2nnc3sc(NC(=O)c4ccccc4)nn32)cc1OC ZINC000020902122 204745350 /nfs/dbraw/zinc/74/53/50/204745350.db2.gz XTNRNXCHKQVNLK-UHFFFAOYSA-N 0 0 381.417 3.122 40 0 GGABRN CCOc1ccc(CN2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000021476200 204756890 /nfs/dbraw/zinc/75/68/90/204756890.db2.gz KEOIQWPJHDSYFG-UHFFFAOYSA-N 0 0 390.487 3.229 40 0 GGABRN Cc1noc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)cc2)n1 ZINC000021792434 204765726 /nfs/dbraw/zinc/76/57/26/204765726.db2.gz PNRCGIWZRFUORO-MRXNPFEDSA-N 0 0 376.416 3.345 40 0 GGABRN Cc1cc(OCCn2c(C(F)(F)F)ccc(C(N)=O)c2=O)ccc1C(C)C ZINC000021924866 204770797 /nfs/dbraw/zinc/77/07/97/204770797.db2.gz QVARRCCMUDPFMG-UHFFFAOYSA-N 0 0 382.382 3.477 40 0 GGABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(Cl)ccn3)C2)cc1 ZINC000022258732 204777075 /nfs/dbraw/zinc/77/70/75/204777075.db2.gz OGJIGMOQDAZULZ-CQSZACIVSA-N 0 0 393.896 3.083 40 0 GGABRN CCOC(=O)c1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CCC3)cc1 ZINC000022235359 204777764 /nfs/dbraw/zinc/77/77/64/204777764.db2.gz XHTDZUKAULVOIK-UHFFFAOYSA-N 0 0 376.412 3.377 40 0 GGABRN CC(C)(C)c1ccc(OCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000022276804 204778450 /nfs/dbraw/zinc/77/84/50/204778450.db2.gz NJSKCWOQIAWGDH-UHFFFAOYSA-N 0 0 391.489 3.113 40 0 GGABRN Cc1ccc(C)c(N(CC(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)c1 ZINC000022329012 204778611 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Cc1cc(C)c([C@H](C)NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1C ZINC000022536014 204782422 /nfs/dbraw/zinc/78/24/22/204782422.db2.gz YJXSKCHNRHKFNS-SFHVURJKSA-N 0 0 388.533 3.251 40 0 GGABRN CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000021699260 204761670 /nfs/dbraw/zinc/76/16/70/204761670.db2.gz ZOTNBDSTGHKGIV-UHFFFAOYSA-N 0 0 378.881 3.288 40 0 GGABRN CNC(=O)c1cccc(NC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000023321256 204803243 /nfs/dbraw/zinc/80/32/43/204803243.db2.gz OUFDJZOGNSRGRT-UHFFFAOYSA-N 0 0 387.439 3.082 40 0 GGABRN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1cccc(Br)c1 ZINC000023680156 204809393 /nfs/dbraw/zinc/80/93/93/204809393.db2.gz IFLFMYSHWUCEGW-UHFFFAOYSA-N 0 0 395.640 3.467 40 0 GGABRN O=C(OCc1nnnn1Cc1ccccc1)c1cccnc1Oc1ccccc1 ZINC000024103982 204817526 /nfs/dbraw/zinc/81/75/26/204817526.db2.gz NPHFOEUUWNCDMR-UHFFFAOYSA-N 0 0 387.399 3.266 40 0 GGABRN O=C(CCn1c(=O)oc2ccccc21)NCCc1ccc(Br)s1 ZINC000022994413 204796054 /nfs/dbraw/zinc/79/60/54/204796054.db2.gz KQIKVXVSLYMSJC-UHFFFAOYSA-N 0 0 395.278 3.168 40 0 GGABRN Cc1cc(-n2c(C)cc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)c2C)no1 ZINC000023184201 204800114 /nfs/dbraw/zinc/80/01/14/204800114.db2.gz BABYJWQOINDRQG-MRXNPFEDSA-N 0 0 381.432 3.303 40 0 GGABRN Cn1cc(C(=O)NOCc2ccccc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000025038419 204829444 /nfs/dbraw/zinc/82/94/44/204829444.db2.gz DDIDEOQHVDARGT-UHFFFAOYSA-N 0 0 379.416 3.110 40 0 GGABRN CC(=O)c1c(C)[nH]c(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1C ZINC000025212143 204831557 /nfs/dbraw/zinc/83/15/57/204831557.db2.gz SUJXSWGSZMQUDF-UHFFFAOYSA-N 0 0 385.439 3.008 40 0 GGABRN COC(=O)C12C[C@H]3C[C@H](CC(NC(=O)C4(c5ccccc5)CCOCC4)(C3)C1)C2 ZINC000038680102 204845119 /nfs/dbraw/zinc/84/51/19/204845119.db2.gz JAJPADDUDVRTEA-WVKNIADZSA-N 0 0 397.515 3.363 40 0 GGABRN CC(C)c1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000024207733 204819195 /nfs/dbraw/zinc/81/91/95/204819195.db2.gz HYJPCASDRLSFIK-OAQYLSRUSA-N 0 0 388.533 3.162 40 0 GGABRN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3nnc(CC)s3)cc2)c1C ZINC000024574783 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CC[C@@H](NC(=O)CNc1cccc(-n2cnnn2)c1C)c1ccc(Cl)cc1 ZINC000040061227 204868986 /nfs/dbraw/zinc/86/89/86/204868986.db2.gz OTEOCOPGQCEIJX-MRXNPFEDSA-N 0 0 384.871 3.304 40 0 GGABRN C[C@@H]1CCc2c(sc3ncn(C[C@@H](O)COCc4ccccc4)c(=O)c23)C1 ZINC000040050640 204870097 /nfs/dbraw/zinc/87/00/97/204870097.db2.gz RMHXBTNVWRSVFZ-GDBMZVCRSA-N 0 0 384.501 3.161 40 0 GGABRN COCCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)Cc2ccccc2Cl)c1C ZINC000040112140 204873221 /nfs/dbraw/zinc/87/32/21/204873221.db2.gz AFOOXLFZLBZFDY-LBPRGKRZSA-N 0 0 392.883 3.449 40 0 GGABRN Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCNC(=O)c1ccc(Cl)cc1 ZINC000027618062 204857221 /nfs/dbraw/zinc/85/72/21/204857221.db2.gz GYKHFBMDYLWKLB-UHFFFAOYSA-N 0 0 396.878 3.302 40 0 GGABRN Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1ccc(OC(C)C)cc1 ZINC000030751881 204897387 /nfs/dbraw/zinc/89/73/87/204897387.db2.gz YJAXNEDIMOZHMH-UHFFFAOYSA-N 0 0 376.478 3.084 40 0 GGABRN COc1ccc(S[C@@H](C)C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 ZINC000030753240 204897467 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Cc1ccc(NC(=O)[C@@H]2CSc3nc(C(C)(C)C)cc(=O)n3C2)cc1F ZINC000090609707 205274786 /nfs/dbraw/zinc/27/47/86/205274786.db2.gz VKHMCVUCSKUQFK-LBPRGKRZSA-N 0 0 375.469 3.349 40 0 GGABRN CO[C@H](C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccccc1 ZINC000068019620 205270235 /nfs/dbraw/zinc/27/02/35/205270235.db2.gz XTINQWBHCDNSMX-UXHICEINSA-N 0 0 388.895 3.217 40 0 GGABRN CC(=O)Nc1ccc(C)cc1NC(=O)CNC(=O)NCc1ccc(Cl)cc1 ZINC000068191403 205271361 /nfs/dbraw/zinc/27/13/61/205271361.db2.gz BMTPYKLPSCTTKF-UHFFFAOYSA-N 0 0 388.855 3.045 40 0 GGABRN CC(C)[C@@H]1C(=O)N(CC(=O)OCc2ccccc2)C(=O)N1Cc1ccccc1 ZINC000068606543 205271674 /nfs/dbraw/zinc/27/16/74/205271674.db2.gz TYGRVVDPEXXXDD-HXUWFJFHSA-N 0 0 380.444 3.219 40 0 GGABRN CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(C(C)(C)C)cc3)ccc21 ZINC000069093589 205272289 /nfs/dbraw/zinc/27/22/89/205272289.db2.gz JXGQECGQPQVRQN-UHFFFAOYSA-N 0 0 386.517 3.372 40 0 GGABRN COc1ccc(S(=O)(=O)NCc2ccc(C(C)(C)C)cc2)cc1NC(C)=O ZINC000069093569 205272338 /nfs/dbraw/zinc/27/23/38/205272338.db2.gz IFGWMLLGYLOOQC-UHFFFAOYSA-N 0 0 390.505 3.430 40 0 GGABRN COc1ccc(S(=O)(=O)NCc2ccc3ccccc3c2)cc1NC(C)=O ZINC000069041216 205272627 /nfs/dbraw/zinc/27/26/27/205272627.db2.gz FNVISVNIPIUDJE-UHFFFAOYSA-N 0 0 384.457 3.285 40 0 GGABRN COc1ccc(CNC(=O)N2CCC(Cn3nc(C)cc3C)CC2)cc1OC ZINC000090560607 205272750 /nfs/dbraw/zinc/27/27/50/205272750.db2.gz ZLQNKXWRQNDXFW-UHFFFAOYSA-N 0 0 386.496 3.139 40 0 GGABRN CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H](C(=O)NCc1ccc(Cl)cc1)C2 ZINC000090609673 205274875 /nfs/dbraw/zinc/27/48/75/205274875.db2.gz VWAVTQUFIFQULO-ZDUSSCGKSA-N 0 0 391.924 3.233 40 0 GGABRN O=C(c1cnccn1)N1CC(Oc2nc3c(cccc3C(F)(F)F)s2)C1 ZINC000090594122 205273770 /nfs/dbraw/zinc/27/37/70/205273770.db2.gz BDWVYYILXNMGJH-UHFFFAOYSA-N 0 0 380.351 3.009 40 0 GGABRN Cn1nc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1-c1cccs1 ZINC000090607049 205274153 /nfs/dbraw/zinc/27/41/53/205274153.db2.gz DTPOEHXKDDGAFQ-UHFFFAOYSA-N 0 0 385.873 3.420 40 0 GGABRN O[C@@H](CNc1ncc(Br)cn1)COc1cccc(Cl)c1Cl ZINC000067369702 205247178 /nfs/dbraw/zinc/24/71/78/205247178.db2.gz HHCAHRSGMXGKQR-VIFPVBQESA-N 0 0 393.068 3.398 40 0 GGABRN O=C(Nc1ncccn1)C1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000071977341 205301112 /nfs/dbraw/zinc/30/11/12/205301112.db2.gz ZNTXOPMDSVRBMV-UHFFFAOYSA-N 0 0 397.237 3.413 40 0 GGABRN CCC[NH+]1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(C(C)(C)C)cc1 ZINC000071980324 205301922 /nfs/dbraw/zinc/30/19/22/205301922.db2.gz XLFKPJZCQJEFLC-GOSISDBHSA-N 0 0 388.508 3.112 40 0 GGABRN Cc1ccc(NC(=O)CCNC(=O)NCCc2ccc(C(F)(F)F)cc2)nc1 ZINC000072074880 205303672 /nfs/dbraw/zinc/30/36/72/205303672.db2.gz CFFXLZYUTQPRMI-UHFFFAOYSA-N 0 0 394.397 3.279 40 0 GGABRN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NCC(C)(C)C(N)=O)cc12 ZINC000072011271 205303987 /nfs/dbraw/zinc/30/39/87/205303987.db2.gz LKEYYZMWFYJJNJ-UHFFFAOYSA-N 0 0 390.896 3.290 40 0 GGABRN CCc1c(C)nc2n(c1=O)C[C@H](C(=O)Nc1nc3ccccc3s1)CS2 ZINC000090609805 205275569 /nfs/dbraw/zinc/27/55/69/205275569.db2.gz ZLYPBMISESJIFZ-NSHDSACASA-N 0 0 386.502 3.084 40 0 GGABRN O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc2c(c1)OCCO2 ZINC000069526251 205276222 /nfs/dbraw/zinc/27/62/22/205276222.db2.gz FKTTVHUBFSNKMP-UHFFFAOYSA-N 0 0 378.384 3.233 40 0 GGABRN Cc1cc([C@@H](O)CCNS(=O)(=O)c2ccc(Br)s2)c(C)o1 ZINC000090613457 205276599 /nfs/dbraw/zinc/27/65/99/205276599.db2.gz JBMHXWLFMFKKNP-NSHDSACASA-N 0 0 394.312 3.122 40 0 GGABRN COc1ccc(C2(C(=O)NCC[C@H](O)c3cc(C)oc3C)CCOCC2)cc1 ZINC000090613425 205277152 /nfs/dbraw/zinc/27/71/52/205277152.db2.gz UXJTWROPQAXSEL-FQEVSTJZSA-N 0 0 387.476 3.193 40 0 GGABRN Cc1cc(-c2cc(=O)n([C@@H](C)C(=O)NC3CC3)nc2-c2ccc(C)s2)on1 ZINC000072337711 205327153 /nfs/dbraw/zinc/32/71/53/205327153.db2.gz UEOYWXWFYJNBJX-LBPRGKRZSA-N 0 0 384.461 3.083 40 0 GGABRN Cc1csc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)n1 ZINC000072338983 205327278 /nfs/dbraw/zinc/32/72/78/205327278.db2.gz VBGSVZSEVJEKKK-VHTZSSMTSA-N 0 0 383.473 3.345 40 0 GGABRN COc1cc(-c2nc3cnccn3c2NC[C@H]2CCCO2)cc(OC)c1OC 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GGABRN COc1cccc([C@@]2(O)CC[C@@H]3CN(C(=O)c4noc5c4C[C@@H](C)CC5)C[C@@H]32)c1 ZINC000072339766 205328153 /nfs/dbraw/zinc/32/81/53/205328153.db2.gz BOFBVFUNQOVBHO-CRKFXISPSA-N 0 0 396.487 3.178 40 0 GGABRN COc1cc(CN2C[C@H]3ON=C(c4ccccc4F)[C@@H]3C2)cc(OC)c1OC ZINC000072343301 205329194 /nfs/dbraw/zinc/32/91/94/205329194.db2.gz GMDXETOODYBEMH-DNVCBOLYSA-N 0 0 386.423 3.086 40 0 GGABRN COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)c3ccncc3)C2)cc1 ZINC000072346028 205329265 /nfs/dbraw/zinc/32/92/65/205329265.db2.gz PQTPEUQPKDFPIC-QGZVFWFLSA-N 0 0 389.459 3.149 40 0 GGABRN COCCNC(=O)C1(Cc2cccc(-c3ccccc3OC)c2)CCOCC1 ZINC000072344687 205329287 /nfs/dbraw/zinc/32/92/87/205329287.db2.gz BYWORBLGLIICKH-UHFFFAOYSA-N 0 0 383.488 3.464 40 0 GGABRN CCC(=O)N1CCC(c2nnc([C@H]3CCCCN3C(=O)C3CCCC3)o2)CC1 ZINC000072344852 205329372 /nfs/dbraw/zinc/32/93/72/205329372.db2.gz XSWXSHALRQMWTF-QGZVFWFLSA-N 0 0 388.512 3.429 40 0 GGABRN O=S(=O)(c1ccc(Cl)s1)N1C[C@H]2[C@@H](C1)CCC[C@]2(O)c1cccnc1 ZINC000072342989 205329378 /nfs/dbraw/zinc/32/93/78/205329378.db2.gz NZODCKVGDMWZBI-IFIJOSMWSA-N 0 0 398.937 3.105 40 0 GGABRN Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN(C(=O)c3cccnc3)C2)n1 ZINC000072346021 205329503 /nfs/dbraw/zinc/32/95/03/205329503.db2.gz JFGJHDJUECZHSK-INIZCTEOSA-N 0 0 377.423 3.280 40 0 GGABRN COCCOc1ccc(CN2C[C@@H]3ON=C(c4cccc(C)c4)[C@H]3C2)cc1OC ZINC000072343247 205329655 /nfs/dbraw/zinc/32/96/55/205329655.db2.gz HGGYUNVZPIKDOY-UGKGYDQZSA-N 0 0 396.487 3.264 40 0 GGABRN COc1cc2c(cc1OC)[C@H](c1ccnn1C)N(C(=O)Cc1cccs1)CC2 ZINC000072342793 205329736 /nfs/dbraw/zinc/32/97/36/205329736.db2.gz BDGLPVQESXNEIY-OAQYLSRUSA-N 0 0 397.500 3.216 40 0 GGABRN CC(C)CC(=O)N1CCC(Cc2ccccc2-c2cccnc2)(C(N)=O)CC1 ZINC000072345035 205329832 /nfs/dbraw/zinc/32/98/32/205329832.db2.gz QSHBRYJQPRCBKS-UHFFFAOYSA-N 0 0 379.504 3.431 40 0 GGABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)n1 ZINC000072346146 205329968 /nfs/dbraw/zinc/32/99/68/205329968.db2.gz XGOCCVGWNLUBBM-CYBMUJFWSA-N 0 0 382.855 3.122 40 0 GGABRN CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)c2ccncc2)nc1C ZINC000072346313 205329976 /nfs/dbraw/zinc/32/99/76/205329976.db2.gz UMIHVNPTJXWCEQ-SFHVURJKSA-N 0 0 381.480 3.029 40 0 GGABRN Cc1nc(=O)c2cc(Cl)ccc2n1C1=CCN(C(=O)c2cccnc2)CC1 ZINC000072348278 205330288 /nfs/dbraw/zinc/33/02/88/205330288.db2.gz MCYXTBAQDUFVLP-UHFFFAOYSA-N 0 0 380.835 3.140 40 0 GGABRN Cc1nc(=O)c2cc(Cl)ccc2n1C1=CCN(C(=O)Cc2ccccn2)CC1 ZINC000072348280 205330359 /nfs/dbraw/zinc/33/03/59/205330359.db2.gz RTSVYIZFGCDTFS-UHFFFAOYSA-N 0 0 394.862 3.069 40 0 GGABRN CN(C)S(=O)(=O)N1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072349321 205330400 /nfs/dbraw/zinc/33/04/00/205330400.db2.gz XGCXKLMOSLOHNC-MRXNPFEDSA-N 0 0 393.940 3.312 40 0 GGABRN NC(=O)c1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4cccnc4)C3)n2)c1 ZINC000072349095 205330524 /nfs/dbraw/zinc/33/05/24/205330524.db2.gz LGVRBHVBOWKIRS-LJQANCHMSA-N 0 0 386.455 3.262 40 0 GGABRN CC(=O)NCC(=O)N1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072349895 205330813 /nfs/dbraw/zinc/33/08/13/205330813.db2.gz WWHUUQBLSFPHOG-QGZVFWFLSA-N 0 0 385.895 3.168 40 0 GGABRN CC(=O)NCC(=O)N1CCC(c2cccc(Cc3ccccc3Cl)n2)CC1 ZINC000072349893 205330819 /nfs/dbraw/zinc/33/08/19/205330819.db2.gz XHSVMRZFGQFDCY-UHFFFAOYSA-N 0 0 385.895 3.168 40 0 GGABRN CC(=O)Nc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4cc[nH]n4)C3)n2)c1 ZINC000072349790 205330921 /nfs/dbraw/zinc/33/09/21/205330921.db2.gz YMKUUQXYWVYMQN-KRWDZBQOSA-N 0 0 389.459 3.450 40 0 GGABRN Cc1cccc(Cc2cccc([C@H]3CCCN(S(=O)(=O)c4cn[nH]c4)C3)n2)c1 ZINC000072350422 205331201 /nfs/dbraw/zinc/33/12/01/205331201.db2.gz VHABYISKEJSMRF-SFHVURJKSA-N 0 0 396.516 3.272 40 0 GGABRN Cc1ccccc1-c1cncc(C2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)n1 ZINC000072359774 205334112 /nfs/dbraw/zinc/33/41/12/205334112.db2.gz PJAXACSQSBJVOF-UHFFFAOYSA-N 0 0 388.471 3.171 40 0 GGABRN CC(C)c1nccn1-c1nccnc1[C@@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000072350607 205331434 /nfs/dbraw/zinc/33/14/34/205331434.db2.gz NIISNRMSYMWEFO-QGZVFWFLSA-N 0 0 376.464 3.201 40 0 GGABRN Nc1cc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)COCc2ccccc2)ccn1 ZINC000072357472 205331821 /nfs/dbraw/zinc/33/18/21/205331821.db2.gz UJJXQEZGGUKZOS-IBGZPJMESA-N 0 0 391.475 3.324 40 0 GGABRN Nc1cc(-c2c[nH]nc2[C@H]2CCCN2C(=O)CCOc2ccccc2)ccn1 ZINC000072357493 205332072 /nfs/dbraw/zinc/33/20/72/205332072.db2.gz HGUCLWOHEMSZKI-GOSISDBHSA-N 0 0 377.448 3.187 40 0 GGABRN Nc1cc(-c2c[nH]nc2[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)ccn1 ZINC000072357460 205332099 /nfs/dbraw/zinc/33/20/99/205332099.db2.gz WZXAIKPSLZCLPY-QGZVFWFLSA-N 0 0 391.475 3.229 40 0 GGABRN Cc1nc(-c2cncnc2[C@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)no1 ZINC000072356240 205332111 /nfs/dbraw/zinc/33/21/11/205332111.db2.gz WQLVAXDRSINPPH-INIZCTEOSA-N 0 0 395.438 3.313 40 0 GGABRN COc1ccc(-c2cnc(N)nc2[C@H]2CCCN2C(=O)Cc2ccccn2)cc1 ZINC000072354787 205332158 /nfs/dbraw/zinc/33/21/58/205332158.db2.gz SDGVGAHXYMIQDR-LJQANCHMSA-N 0 0 389.459 3.036 40 0 GGABRN Cc1cc(C)n(CC(=O)N2CCC[C@H](c3ccc(Nc4ccccn4)cn3)C2)n1 ZINC000072353340 205332252 /nfs/dbraw/zinc/33/22/52/205332252.db2.gz WCHLKFZKLWOPMJ-SFHVURJKSA-N 0 0 390.491 3.440 40 0 GGABRN CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)C(C)C)C3)c2)cn1 ZINC000072353610 205332288 /nfs/dbraw/zinc/33/22/88/205332288.db2.gz DJPMUBGCLNCUAB-KRWDZBQOSA-N 0 0 380.492 3.174 40 0 GGABRN Cc1nc(-c2cncnc2[C@@H]2CCCN(C(=O)CCc3ccccc3)C2)no1 ZINC000072356047 205332512 /nfs/dbraw/zinc/33/25/12/205332512.db2.gz YIGADERCZCNFOL-QGZVFWFLSA-N 0 0 377.448 3.174 40 0 GGABRN Cc1nc(CC(=O)N2CCC[C@H]2c2ccc(Nc3ncccn3)cn2)cs1 ZINC000072353115 205332566 /nfs/dbraw/zinc/33/25/66/205332566.db2.gz UUTYOWLMXDRPHO-KRWDZBQOSA-N 0 0 380.477 3.286 40 0 GGABRN Cc1nn(C)cc1C(=O)N1CCC[C@@H]1c1ccc(Nc2ccc(F)cn2)cn1 ZINC000072353086 205332736 /nfs/dbraw/zinc/33/27/36/205332736.db2.gz RKMOASWWCJFWRD-GOSISDBHSA-N 0 0 380.427 3.379 40 0 GGABRN COCCNC(=O)c1cc([C@H]2CCN(C(=O)C3CCCC3)C2)nc2ccccc21 ZINC000072352659 205333200 /nfs/dbraw/zinc/33/32/00/205333200.db2.gz AQZPMMLDNLBBQU-KRWDZBQOSA-N 0 0 395.503 3.117 40 0 GGABRN COc1ccc(-c2cccc(C[C@@H]3C(=O)NCCN3C(=O)CC(C)C)c2)cc1 ZINC000072351424 205333342 /nfs/dbraw/zinc/33/33/42/205333342.db2.gz XMQQNPDZJSTIIK-OAQYLSRUSA-N 0 0 380.488 3.278 40 0 GGABRN Cc1nc(CC(=O)N2CCC[C@@H]2c2ccc(Nc3ncccn3)cn2)cs1 ZINC000072353114 205333384 /nfs/dbraw/zinc/33/33/84/205333384.db2.gz UUTYOWLMXDRPHO-QGZVFWFLSA-N 0 0 380.477 3.286 40 0 GGABRN CCc1ncc(CN2CCC[C@@H]2c2cc(Nc3cc(C)[nH]n3)nc(C)n2)cn1 ZINC000072361473 205333484 /nfs/dbraw/zinc/33/34/84/205333484.db2.gz VNKXJFJZKOJCIX-QGZVFWFLSA-N 0 0 378.484 3.250 40 0 GGABRN COc1ccccc1Oc1nccnc1C1CCN(C(=O)c2cnccn2)CC1 ZINC000072362151 205333571 /nfs/dbraw/zinc/33/35/71/205333571.db2.gz GUGVQITVSGNGQN-UHFFFAOYSA-N 0 0 391.431 3.087 40 0 GGABRN COc1cccc(-c2cncc([C@H]3CCCN(C(=O)Cc4ccncc4)C3)n2)c1 ZINC000072359587 205333597 /nfs/dbraw/zinc/33/35/97/205333597.db2.gz JOZDIURMBGXMAC-IBGZPJMESA-N 0 0 388.471 3.496 40 0 GGABRN COc1cccc(Oc2nccnc2[C@@H]2CCCN(C(=O)c3cnccn3)C2)c1 ZINC000072362138 205333662 /nfs/dbraw/zinc/33/36/62/205333662.db2.gz GJCKVHVXJGLFAG-OAHLLOKOSA-N 0 0 391.431 3.087 40 0 GGABRN COc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(=O)c2cnccn2)C1 ZINC000072362140 205333708 /nfs/dbraw/zinc/33/37/08/205333708.db2.gz MPOUTKXYLZEGLV-OAHLLOKOSA-N 0 0 391.431 3.087 40 0 GGABRN O=C(c1cnccn1)N1CCC[C@@H](c2cncc(Oc3cccc(F)c3)n2)C1 ZINC000072362159 205333770 /nfs/dbraw/zinc/33/37/70/205333770.db2.gz WPNIDXNRHUNUJM-CQSZACIVSA-N 0 0 379.395 3.218 40 0 GGABRN Cc1cc(Nc2ncccc2C)nc([C@@H]2CCCN(C(=O)c3cnccn3)C2)n1 ZINC000072360017 205333864 /nfs/dbraw/zinc/33/38/64/205333864.db2.gz CLOGOYSZBNKDAM-MRXNPFEDSA-N 0 0 389.463 3.042 40 0 GGABRN COc1ccccc1Oc1cncc([C@@H]2CCCN(CC(=O)N3CCCC3)C2)n1 ZINC000072361883 205333913 /nfs/dbraw/zinc/33/39/13/205333913.db2.gz LSJRZLWJWMEBMG-QGZVFWFLSA-N 0 0 396.491 3.079 40 0 GGABRN CCc1ncc(CN2CCC[C@H]2c2cc(Nc3cc(C)[nH]n3)nc(C)n2)cn1 ZINC000072361474 205334349 /nfs/dbraw/zinc/33/43/49/205334349.db2.gz VNKXJFJZKOJCIX-KRWDZBQOSA-N 0 0 378.484 3.250 40 0 GGABRN COc1ccccc1-c1nccnc1[C@H]1CCCN(C(=O)Cc2ccncc2)C1 ZINC000072358840 205334440 /nfs/dbraw/zinc/33/44/40/205334440.db2.gz ILBAVDLYHIHHDZ-SFHVURJKSA-N 0 0 388.471 3.496 40 0 GGABRN COc1cccc(Oc2cncc([C@@H]3CCCN(Cc4ccnn4C)C3)n2)c1 ZINC000072362829 205335093 /nfs/dbraw/zinc/33/50/93/205335093.db2.gz KHTASZJRMUFAMI-MRXNPFEDSA-N 0 0 379.464 3.391 40 0 GGABRN Cc1ccccc1OCCCC(=O)N1CCC[C@@H](c2cc(CN(C)C)n(C)n2)C1 ZINC000072370174 205335116 /nfs/dbraw/zinc/33/51/16/205335116.db2.gz JTNXOVZQIRGHFD-LJQANCHMSA-N 0 0 398.551 3.355 40 0 GGABRN COc1ccc(Oc2cncc(C3CCN(Cc4nccn4C)CC3)n2)cc1 ZINC000072362789 205335194 /nfs/dbraw/zinc/33/51/94/205335194.db2.gz NKIADAZMTWYYOV-UHFFFAOYSA-N 0 0 379.464 3.391 40 0 GGABRN Cn1cc(C(=O)N2CC[C@@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)cn1 ZINC000072371636 205335313 /nfs/dbraw/zinc/33/53/13/205335313.db2.gz UWWGEWNNXDKZON-CQSZACIVSA-N 0 0 399.882 3.048 40 0 GGABRN COc1ccc2[nH]c(C(=O)N3CC[C@@H](n4cnc5cccnc54)C3)cc2c1OC ZINC000072366055 205335323 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Cn1cc(C(=O)N2CCC[C@H](c3nccnc3Oc3ccccc3F)C2)cn1 ZINC000072362922 205336044 /nfs/dbraw/zinc/33/60/44/205336044.db2.gz RUZIOLKOERLPPJ-AWEZNQCLSA-N 0 0 381.411 3.161 40 0 GGABRN O=C(Cn1cccn1)N1CCC[C@@H](c2cncc(Oc3cccc(F)c3)n2)C1 ZINC000072363098 205336115 /nfs/dbraw/zinc/33/61/15/205336115.db2.gz OFQRKCWXTAXDFL-OAHLLOKOSA-N 0 0 381.411 3.011 40 0 GGABRN O=C(Cn1cccn1)N1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 ZINC000072363089 205336125 /nfs/dbraw/zinc/33/61/25/205336125.db2.gz MMECUTRQJWFDJV-HNNXBMFYSA-N 0 0 381.411 3.011 40 0 GGABRN Cn1cc(C(=O)N2CCC(c3nccnc3Oc3cccc(F)c3)CC2)cn1 ZINC000072362927 205336129 /nfs/dbraw/zinc/33/61/29/205336129.db2.gz AXDCBGBWTBCLMW-UHFFFAOYSA-N 0 0 381.411 3.161 40 0 GGABRN Cc1cc(Oc2ccccc2)nc([C@H]2CCCN(C(=O)c3ccn(C)n3)C2)n1 ZINC000072362753 205336315 /nfs/dbraw/zinc/33/63/15/205336315.db2.gz VAYLHQRNJDAWFL-INIZCTEOSA-N 0 0 377.448 3.331 40 0 GGABRN COc1cccc(Oc2nccnc2[C@H]2CCCN(Cc3cncn3C)C2)c1 ZINC000072363148 205336326 /nfs/dbraw/zinc/33/63/26/205336326.db2.gz XXAWANLKYFJTPQ-INIZCTEOSA-N 0 0 379.464 3.391 40 0 GGABRN COc1cccc(Oc2nccnc2[C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)c1 ZINC000072362741 205336524 /nfs/dbraw/zinc/33/65/24/205336524.db2.gz CJHRLAGHQNCWGS-OAHLLOKOSA-N 0 0 393.447 3.031 40 0 GGABRN Cc1nn(C)cc1C(=O)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 ZINC000072362587 205336527 /nfs/dbraw/zinc/33/65/27/205336527.db2.gz LGWWCTDHMHHXRG-INIZCTEOSA-N 0 0 377.448 3.331 40 0 GGABRN Cc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4nccn4C)C3)n2)c1 ZINC000072363138 205336577 /nfs/dbraw/zinc/33/65/77/205336577.db2.gz KNFBNAJFHKEKNH-INIZCTEOSA-N 0 0 377.448 3.331 40 0 GGABRN CCN(CC)C(=O)CN1CCCC[C@@H]1c1nc(N)ncc1-c1ccc(F)cc1 ZINC000072376823 205336930 /nfs/dbraw/zinc/33/69/30/205336930.db2.gz GGCFBHFTZPBSLE-GOSISDBHSA-N 0 0 385.487 3.260 40 0 GGABRN Cc1c(CN2CCC[C@H]2c2ccc(C(=O)Nc3nccs3)cn2)cnn1C ZINC000072374442 205337016 /nfs/dbraw/zinc/33/70/16/205337016.db2.gz CYKXOTRFLWYXNC-KRWDZBQOSA-N 0 0 382.493 3.169 40 0 GGABRN COc1ccc(CCC(=O)N2CCCC[C@@H]2c2ccc3c(N)ncnc3n2)cc1 ZINC000072374631 205337148 /nfs/dbraw/zinc/33/71/48/205337148.db2.gz HMAFCHCOUZXQFU-LJQANCHMSA-N 0 0 391.475 3.302 40 0 GGABRN COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)c2cccnc2)c1 ZINC000072376948 205337662 /nfs/dbraw/zinc/33/76/62/205337662.db2.gz ARLMZWLLHPCBFU-LJQANCHMSA-N 0 0 389.459 3.497 40 0 GGABRN Cc1cc(-c2cnn(C)c2)cc([C@H]2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)n1 ZINC000072374668 205337689 /nfs/dbraw/zinc/33/76/89/205337689.db2.gz LNMSTPSCCSYARO-HNNXBMFYSA-N 0 0 378.480 3.267 40 0 GGABRN Nc1nc(CCC(=O)N2CCC[C@H]2c2ccc(-c3ccc(N)nc3)cn2)cs1 ZINC000072374114 205337921 /nfs/dbraw/zinc/33/79/21/205337921.db2.gz SROARSYZGGRQHK-KRWDZBQOSA-N 0 0 394.504 3.061 40 0 GGABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCCN2C(=O)c2cc[nH]n2)n1 ZINC000072377118 205337971 /nfs/dbraw/zinc/33/79/71/205337971.db2.gz FWKLDHSPEYIVSC-MRXNPFEDSA-N 0 0 382.855 3.470 40 0 GGABRN CCc1nc(C)c(C(=O)N2CCC[C@H]2c2cccc(Nc3cnccn3)n2)o1 ZINC000072375884 205338007 /nfs/dbraw/zinc/33/80/07/205338007.db2.gz CRULMAAVYQADKJ-HNNXBMFYSA-N 0 0 378.436 3.451 40 0 GGABRN COCC(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(C(F)(F)F)c1 ZINC000072376973 205338244 /nfs/dbraw/zinc/33/82/44/205338244.db2.gz VNJFSKBSZWSFIJ-OAHLLOKOSA-N 0 0 394.397 3.445 40 0 GGABRN Cc1cc(-c2cncnc2)cc([C@@H]2CCN(C(=O)CC3(O)CCCCC3)C2)n1 ZINC000072374705 205338501 /nfs/dbraw/zinc/33/85/01/205338501.db2.gz CQGRMBMVLJEWCN-QGZVFWFLSA-N 0 0 380.492 3.248 40 0 GGABRN Cc1noc(CCC(=O)N2CCC(c3ccc(Nc4ccccn4)cn3)CC2)n1 ZINC000072374344 205338704 /nfs/dbraw/zinc/33/87/04/205338704.db2.gz IFJZKSNLRVJTQC-UHFFFAOYSA-N 0 0 392.463 3.250 40 0 GGABRN CC(C)c1nccn1-c1cccc([C@H]2CCCN(C(=O)c3cnccn3)C2)n1 ZINC000072379184 205338883 /nfs/dbraw/zinc/33/88/83/205338883.db2.gz MHQYSWVEYXWKQB-INIZCTEOSA-N 0 0 376.464 3.201 40 0 GGABRN Cc1ncccc1Oc1nccnc1C1CCN(C(=O)c2ccccn2)CC1 ZINC000072383855 205338957 /nfs/dbraw/zinc/33/89/57/205338957.db2.gz YGWFNIYTRLKJCY-UHFFFAOYSA-N 0 0 375.432 3.387 40 0 GGABRN CC(C)c1nccn1-c1cccc([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1 ZINC000072379236 205338963 /nfs/dbraw/zinc/33/89/63/205338963.db2.gz MWHDCCWTFSAMMO-INIZCTEOSA-N 0 0 378.480 3.144 40 0 GGABRN O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1ccnc(Nc2ccccn2)n1 ZINC000072377709 205339020 /nfs/dbraw/zinc/33/90/20/205339020.db2.gz MVIWVHWKVXEPFI-QGZVFWFLSA-N 0 0 399.451 3.280 40 0 GGABRN O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2cc(C(=O)NC3CCCC3)[nH]n2)C1 ZINC000072380664 205339073 /nfs/dbraw/zinc/33/90/73/205339073.db2.gz YTUKOOXKBPCQDG-INIZCTEOSA-N 0 0 398.482 3.170 40 0 GGABRN O=C(c1cccnc1)N1CCC[C@@H](CCc2ccnc(Nc3cnccn3)c2)C1 ZINC000072378198 205339153 /nfs/dbraw/zinc/33/91/53/205339153.db2.gz ZMKZEKZHRCVSDE-SFHVURJKSA-N 0 0 388.475 3.495 40 0 GGABRN O=C(C1CCCCC1)N1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1 ZINC000072383430 205339158 /nfs/dbraw/zinc/33/91/58/205339158.db2.gz LAGFOTZYTKGWJT-UHFFFAOYSA-N 0 0 380.496 3.372 40 0 GGABRN Cc1cc(Oc2ccc(F)cc2)nc([C@H]2CCN(C(=O)c3cnn(C)c3)C2)n1 ZINC000072384305 205339192 /nfs/dbraw/zinc/33/91/92/205339192.db2.gz ODNOMTBLZGVGDO-AWEZNQCLSA-N 0 0 381.411 3.080 40 0 GGABRN COc1ccc(CC(=O)N2CCC[C@@H](c3ccc(-c4cncnc4)cn3)C2)cc1 ZINC000072380189 205339310 /nfs/dbraw/zinc/33/93/10/205339310.db2.gz HDRZMTVCAQHYBI-LJQANCHMSA-N 0 0 388.471 3.496 40 0 GGABRN CC(=O)NCC(=O)N1CCCC[C@@H]1c1nc(C)cc(Oc2ccc(C)cc2)n1 ZINC000072384147 205339318 /nfs/dbraw/zinc/33/93/18/205339318.db2.gz YAWWTMBITNBYGO-GOSISDBHSA-N 0 0 382.464 3.075 40 0 GGABRN O=C(C1CCOCC1)N1CCC[C@@H](CCc2ccnc(Nc3cnccn3)c2)C1 ZINC000072378217 205339322 /nfs/dbraw/zinc/33/93/22/205339322.db2.gz KQIUIJFMBYPDCJ-SFHVURJKSA-N 0 0 395.507 3.213 40 0 GGABRN O=C(COc1ccc(F)cc1)N1CCC[C@H](c2cccc(-n3ccnc3)n2)C1 ZINC000072378601 205339356 /nfs/dbraw/zinc/33/93/56/205339356.db2.gz XFQMOGGANDVKNG-INIZCTEOSA-N 0 0 380.423 3.191 40 0 GGABRN O=C(c1cnccn1)N1CCC[C@H](CCc2ccnc(Nc3ccccn3)c2)C1 ZINC000072378200 205339452 /nfs/dbraw/zinc/33/94/52/205339452.db2.gz VFHCOKOKTUWRCS-GOSISDBHSA-N 0 0 388.475 3.495 40 0 GGABRN Cc1cccnc1Nc1nccc([C@H]2CCCN(C(=O)C3CCOCC3)C2)n1 ZINC000072378042 205339588 /nfs/dbraw/zinc/33/95/88/205339588.db2.gz GQQULSMLXCIDEM-KRWDZBQOSA-N 0 0 381.480 3.056 40 0 GGABRN O=C(c1n[nH]c2c1CCCC2)N1CCC[C@@H]1c1cc(Nc2ccccn2)n[nH]1 ZINC000072382951 205339676 /nfs/dbraw/zinc/33/96/76/205339676.db2.gz QKEZZKZBOOTUEH-MRXNPFEDSA-N 0 0 377.452 3.128 40 0 GGABRN CC(C)c1nccn1-c1cncc([C@@H]2CCCN2C(=O)Cc2ccncc2)n1 ZINC000072378549 205339785 /nfs/dbraw/zinc/33/97/85/205339785.db2.gz JGSZJGDBUSTCBJ-SFHVURJKSA-N 0 0 376.464 3.087 40 0 GGABRN O=C(c1ccc(F)cc1)N1CCC[C@@H](c2ccnc(Nc3cnccn3)n2)C1 ZINC000072377532 205339796 /nfs/dbraw/zinc/33/97/96/205339796.db2.gz IQNVYHWALYVFEP-OAHLLOKOSA-N 0 0 378.411 3.169 40 0 GGABRN CCc1nnc([N-]c2cc(C)nc([C@@H]3CC[N@H+](Cc4cccnc4)C3)n2)s1 ZINC000072382459 205339807 /nfs/dbraw/zinc/33/98/07/205339807.db2.gz HRMOQAXHRJZQHD-OAHLLOKOSA-N 0 0 381.509 3.327 40 0 GGABRN Cc1ncccc1Oc1nccnc1[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000072383768 205339883 /nfs/dbraw/zinc/33/98/83/205339883.db2.gz RBAAJWCEHSNAIZ-QGZVFWFLSA-N 0 0 375.432 3.387 40 0 GGABRN 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CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1F ZINC000224593894 206024374 /nfs/dbraw/zinc/02/43/74/206024374.db2.gz OKSZZWHTINEKHU-HXUWFJFHSA-N 0 0 386.467 3.320 40 0 GGABRN Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)o2)n1 ZINC000027980466 206024393 /nfs/dbraw/zinc/02/43/93/206024393.db2.gz HTBNQDUJTWDMOY-UHFFFAOYSA-N 0 0 382.439 3.243 40 0 GGABRN COc1ccc(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000224668147 206024835 /nfs/dbraw/zinc/02/48/35/206024835.db2.gz OEBGTKPWRUJKAH-INIZCTEOSA-N 0 0 386.467 3.319 40 0 GGABRN COC(=O)c1cc(S(=O)(=O)N[C@H](C)COc2ccc(C)c(C)c2)ccc1C ZINC000224638176 206025065 /nfs/dbraw/zinc/02/50/65/206025065.db2.gz RNVDUIQBJQBXRD-MRXNPFEDSA-N 0 0 391.489 3.144 40 0 GGABRN CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(F)cc1 ZINC000224629382 206025241 /nfs/dbraw/zinc/02/52/41/206025241.db2.gz ZUFSYHFBMNPPDN-HXUWFJFHSA-N 0 0 386.467 3.191 40 0 GGABRN COc1cccc(-c2noc(CNC(=O)C3(c4ccccc4)CCOCC3)n2)c1 ZINC000224629733 206025505 /nfs/dbraw/zinc/02/55/05/206025505.db2.gz IDKPKKQKWJVOKZ-UHFFFAOYSA-N 0 0 393.443 3.110 40 0 GGABRN COc1cccc(OCCNS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1 ZINC000224636911 206025615 /nfs/dbraw/zinc/02/56/15/206025615.db2.gz KLEUDMQAEVOBHC-UHFFFAOYSA-N 0 0 379.478 3.185 40 0 GGABRN CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1cccc(C)c1 ZINC000224628980 206025623 /nfs/dbraw/zinc/02/56/23/206025623.db2.gz IOSHSSYWELGKJP-OAQYLSRUSA-N 0 0 382.504 3.360 40 0 GGABRN CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 ZINC000224638852 206025738 /nfs/dbraw/zinc/02/57/38/206025738.db2.gz ZASLPUAUEKPLGS-UHFFFAOYSA-N 0 0 377.462 3.396 40 0 GGABRN CCOC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000224632252 206025848 /nfs/dbraw/zinc/02/58/48/206025848.db2.gz SRDVKHGLUCFFQX-UHFFFAOYSA-N 0 0 377.462 3.070 40 0 GGABRN CCOC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000224632658 206025888 /nfs/dbraw/zinc/02/58/88/206025888.db2.gz JELZCFKWUGNGRX-UHFFFAOYSA-N 0 0 391.489 3.379 40 0 GGABRN 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206027265 /nfs/dbraw/zinc/02/72/65/206027265.db2.gz PYEMANJXNIZPRB-UHFFFAOYSA-N 0 0 398.278 3.369 40 0 GGABRN COc1ccc(S(=O)(=O)N(C)c2ccccc2Br)cc1OC ZINC000224800243 206027313 /nfs/dbraw/zinc/02/73/13/206027313.db2.gz AISURNWBQODHRL-UHFFFAOYSA-N 0 0 386.267 3.291 40 0 GGABRN O=C(CSCc1ccc(F)cc1)NCc1cccc(CN2CCOCC2)c1 ZINC000224737469 206027360 /nfs/dbraw/zinc/02/73/60/206027360.db2.gz HLQROQIGZBEQIT-UHFFFAOYSA-N 0 0 388.508 3.208 40 0 GGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1OC ZINC000224741631 206027412 /nfs/dbraw/zinc/02/74/12/206027412.db2.gz WIWRUYZNFUBZKJ-SFHVURJKSA-N 0 0 398.503 3.326 40 0 GGABRN COCc1cccc(NC(=O)CCCN(c2cccc(F)c2)S(C)(=O)=O)c1 ZINC000224800570 206027456 /nfs/dbraw/zinc/02/74/56/206027456.db2.gz LXJCTZOUAWBVDC-UHFFFAOYSA-N 0 0 394.468 3.157 40 0 GGABRN Cc1ccc(O[C@H](C)C(=O)NCc2cccc(CN3CCOCC3)c2)c(C)c1 ZINC000224741575 206027496 /nfs/dbraw/zinc/02/74/96/206027496.db2.gz LXGRZEAUTNKXTB-LJQANCHMSA-N 0 0 382.504 3.219 40 0 GGABRN O=C(CSCc1ccccc1F)NCc1cccc(CN2CCOCC2)c1 ZINC000224751106 206027764 /nfs/dbraw/zinc/02/77/64/206027764.db2.gz MGSJULAAGUOPBM-UHFFFAOYSA-N 0 0 388.508 3.208 40 0 GGABRN CCCCNC(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccccc2)c1 ZINC000224765514 206027991 /nfs/dbraw/zinc/02/79/91/206027991.db2.gz UCWPWZWGPHMUIT-UHFFFAOYSA-N 0 0 390.505 3.046 40 0 GGABRN CCSc1ccccc1NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000224754862 206028019 /nfs/dbraw/zinc/02/80/19/206028019.db2.gz GCJMCCLMXDKDSR-UHFFFAOYSA-N 0 0 394.518 3.212 40 0 GGABRN CN(CC(=O)Nc1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000224736052 206028125 /nfs/dbraw/zinc/02/81/25/206028125.db2.gz RIDGULOZLNNDSE-UHFFFAOYSA-N 0 0 388.489 3.267 40 0 GGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(OC)cc1 ZINC000224769753 206028152 /nfs/dbraw/zinc/02/81/52/206028152.db2.gz VALKVSAXJRQYER-SFHVURJKSA-N 0 0 382.504 3.490 40 0 GGABRN CCOC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(OC)cc1 ZINC000224849633 206028505 /nfs/dbraw/zinc/02/85/05/206028505.db2.gz 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206029240 /nfs/dbraw/zinc/02/92/40/206029240.db2.gz UUCUIXYJXCMCOO-UHFFFAOYSA-N 0 0 383.853 3.025 40 0 GGABRN CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1Cl ZINC000224870826 206029258 /nfs/dbraw/zinc/02/92/58/206029258.db2.gz QYOVTSDZGNBJJZ-UHFFFAOYSA-N 0 0 383.853 3.350 40 0 GGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C ZINC000224847430 206029336 /nfs/dbraw/zinc/02/93/36/206029336.db2.gz MGLGLXQLDXRRDJ-KRWDZBQOSA-N 0 0 386.467 3.456 40 0 GGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1F ZINC000224878063 206029357 /nfs/dbraw/zinc/02/93/57/206029357.db2.gz VJIBLEDXAARHNM-OAHLLOKOSA-N 0 0 390.430 3.287 40 0 GGABRN CCN(c1ccccc1Br)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000224828375 206029459 /nfs/dbraw/zinc/02/94/59/206029459.db2.gz DKODDIPYBSRAHJ-UHFFFAOYSA-N 0 0 398.278 3.436 40 0 GGABRN CCc1ccc(CC)c(CNC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)c1 ZINC000224843991 206029987 /nfs/dbraw/zinc/02/99/87/206029987.db2.gz RYFOBGVBPFAUQC-HXUWFJFHSA-N 0 0 388.533 3.060 40 0 GGABRN O=C(NCc1cccnc1)c1c2c(sc1NC(=O)[C@@H]1CCCO1)CCCC2 ZINC000028227499 206035960 /nfs/dbraw/zinc/03/59/60/206035960.db2.gz HWZIINSWNXOLIP-HNNXBMFYSA-N 0 0 385.489 3.069 40 0 GGABRN CC(=O)Nc1ccc(S(=O)(=O)N(C)c2cccc(Br)c2)cc1 ZINC000224889865 206030301 /nfs/dbraw/zinc/03/03/01/206030301.db2.gz SUBUGAVDGGTUIV-UHFFFAOYSA-N 0 0 383.267 3.233 40 0 GGABRN CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000224956088 206030307 /nfs/dbraw/zinc/03/03/07/206030307.db2.gz QIQWKVXVILMTRE-UHFFFAOYSA-N 0 0 383.853 3.350 40 0 GGABRN COC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000224948668 206030388 /nfs/dbraw/zinc/03/03/88/206030388.db2.gz LVJDZGXCSCVBQG-UHFFFAOYSA-N 0 0 397.880 3.334 40 0 GGABRN CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000224952906 206030446 /nfs/dbraw/zinc/03/04/46/206030446.db2.gz YUZNDHUEMYUQKZ-UHFFFAOYSA-N 0 0 383.853 3.350 40 0 GGABRN CC[C@H](NS(=O)(=O)Cc1ccc(C(=O)OC)cc1)c1ccc(OC)c(C)c1 ZINC000224908096 206030742 /nfs/dbraw/zinc/03/07/42/206030742.db2.gz MYKSBEYTIYNJOR-SFHVURJKSA-N 0 0 391.489 3.361 40 0 GGABRN COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000224879966 206030914 /nfs/dbraw/zinc/03/09/14/206030914.db2.gz ZXGXVVIUZALRLR-UHFFFAOYSA-N 0 0 389.351 3.314 40 0 GGABRN CN(c1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1)S(C)(=O)=O ZINC000224892373 206030967 /nfs/dbraw/zinc/03/09/67/206030967.db2.gz IRIPCRJCSZQNTK-UHFFFAOYSA-N 0 0 388.367 3.233 40 0 GGABRN CCOC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000224946778 206031110 /nfs/dbraw/zinc/03/11/10/206031110.db2.gz SOOYXZGKVZCPRM-UHFFFAOYSA-N 0 0 397.880 3.415 40 0 GGABRN Cc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)ccc1N(C)S(C)(=O)=O ZINC000224934382 206031441 /nfs/dbraw/zinc/03/14/41/206031441.db2.gz IKODBWWKOPLAFT-UHFFFAOYSA-N 0 0 387.505 3.243 40 0 GGABRN COC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000224947017 206031471 /nfs/dbraw/zinc/03/14/71/206031471.db2.gz DXQUQJYBIKCAKD-UHFFFAOYSA-N 0 0 383.853 3.025 40 0 GGABRN COC(=O)CN(c1c(C)cccc1C)S(=O)(=O)c1ccc(SC)cc1 ZINC000224972589 206032021 /nfs/dbraw/zinc/03/20/21/206032021.db2.gz YQGPFPRTUMSSLQ-UHFFFAOYSA-N 0 0 379.503 3.394 40 0 GGABRN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)cc1 ZINC000028220151 206032056 /nfs/dbraw/zinc/03/20/56/206032056.db2.gz AGPONZKDMVAGGD-UHFFFAOYSA-N 0 0 390.852 3.285 40 0 GGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1cccc(C)c1 ZINC000225008358 206032177 /nfs/dbraw/zinc/03/21/77/206032177.db2.gz ABMZXFTWDVZHPB-SFHVURJKSA-N 0 0 382.504 3.490 40 0 GGABRN CCC(=O)N1CCc2cc(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)ccc21 ZINC000224978233 206032320 /nfs/dbraw/zinc/03/23/20/206032320.db2.gz ZQKHBCMWBASPNT-UHFFFAOYSA-N 0 0 388.533 3.233 40 0 GGABRN CC[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(OC)c(C)c1 ZINC000224990951 206032341 /nfs/dbraw/zinc/03/23/41/206032341.db2.gz QSXCFCQNRUVZJU-GOSISDBHSA-N 0 0 390.505 3.281 40 0 GGABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(SC)c2)cc1 ZINC000224996124 206032360 /nfs/dbraw/zinc/03/23/60/206032360.db2.gz VKMFVHFVZAPGJZ-UHFFFAOYSA-N 0 0 396.559 3.390 40 0 GGABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1OC ZINC000224974259 206032375 /nfs/dbraw/zinc/03/23/75/206032375.db2.gz BKZBDBSAAGPOCS-ROUUACIJSA-N 0 0 398.503 3.406 40 0 GGABRN COC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(SC)cc1 ZINC000224972836 206032380 /nfs/dbraw/zinc/03/23/80/206032380.db2.gz LCPZQWZGEKOSMN-UHFFFAOYSA-N 0 0 379.503 3.394 40 0 GGABRN COC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(SC)cc1 ZINC000224987327 206032497 /nfs/dbraw/zinc/03/24/97/206032497.db2.gz XYWCIVJVKNPMSE-UHFFFAOYSA-N 0 0 387.429 3.055 40 0 GGABRN COc1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)cc2)c(OC)c1OC ZINC000224982010 206032716 /nfs/dbraw/zinc/03/27/16/206032716.db2.gz QMLWSNCKJYTEPC-VZUCSPMQSA-N 0 0 398.459 3.201 40 0 GGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1 ZINC000225008632 206032924 /nfs/dbraw/zinc/03/29/24/206032924.db2.gz YMQOLNBAGMIVQU-KRWDZBQOSA-N 0 0 384.476 3.018 40 0 GGABRN COC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(SC)cc1 ZINC000224983300 206033217 /nfs/dbraw/zinc/03/32/17/206033217.db2.gz CJOKFNKMPOOIJD-UHFFFAOYSA-N 0 0 395.502 3.094 40 0 GGABRN COC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000224974947 206033234 /nfs/dbraw/zinc/03/32/34/206033234.db2.gz BYVYFOUFAQSPEV-UHFFFAOYSA-N 0 0 385.894 3.430 40 0 GGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C)cc1 ZINC000225037700 206033813 /nfs/dbraw/zinc/03/38/13/206033813.db2.gz GALSPHWNTFQGTO-SFHVURJKSA-N 0 0 398.503 3.326 40 0 GGABRN Cn1c(=O)sc2cc(NC(=O)COc3ccc(Br)cc3)ccc21 ZINC000225046391 206033844 /nfs/dbraw/zinc/03/38/44/206033844.db2.gz DIDWJVYPRAHRTR-UHFFFAOYSA-N 0 0 393.262 3.380 40 0 GGABRN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)c1cnc2sccn2c1=O ZINC000028234202 206035074 /nfs/dbraw/zinc/03/50/74/206035074.db2.gz SCGYUJHCPAEGJP-UHFFFAOYSA-N 0 0 393.472 3.178 40 0 GGABRN CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(F)cc1 ZINC000225069761 206035231 /nfs/dbraw/zinc/03/52/31/206035231.db2.gz VDMIXYQXCXQAFH-QGZVFWFLSA-N 0 0 386.467 3.191 40 0 GGABRN CCOC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225095261 206036889 /nfs/dbraw/zinc/03/68/89/206036889.db2.gz VPINNLGUDQGYHJ-UHFFFAOYSA-N 0 0 395.452 3.210 40 0 GGABRN COC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccs1 ZINC000225126322 206036894 /nfs/dbraw/zinc/03/68/94/206036894.db2.gz VUTKEXLDYRYMQS-UHFFFAOYSA-N 0 0 379.381 3.135 40 0 GGABRN C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC(C)(C)CC(C)(C)C ZINC000225107673 206037064 /nfs/dbraw/zinc/03/70/64/206037064.db2.gz DUSIOGQVCJZXBE-AWEZNQCLSA-N 0 0 384.542 3.181 40 0 GGABRN Cc1cc(C)n(Cn2ccc(C(=O)NCc3csc(-c4ccccc4)n3)n2)n1 ZINC000028242410 206037162 /nfs/dbraw/zinc/03/71/62/206037162.db2.gz ORUSXVCVFBUQRY-UHFFFAOYSA-N 0 0 392.488 3.256 40 0 GGABRN Cc1cc(C)n(CC(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)n1 ZINC000028231555 206037315 /nfs/dbraw/zinc/03/73/15/206037315.db2.gz DSMQGLWDEZGDRE-UHFFFAOYSA-N 0 0 377.370 3.402 40 0 GGABRN Cc1ccn(-c2ccc(NC(=O)[C@@H](C)Cn3cc(Br)cn3)cc2)n1 ZINC000028240323 206037490 /nfs/dbraw/zinc/03/74/90/206037490.db2.gz RXJSBZNTEJXRET-LBPRGKRZSA-N 0 0 388.269 3.415 40 0 GGABRN COC(=O)c1cc(N(C)S(=O)(=O)c2ccc(OC)c(F)c2)ccc1Cl ZINC000225115075 206037618 /nfs/dbraw/zinc/03/76/18/206037618.db2.gz SIPIIIVCEXFYIO-UHFFFAOYSA-N 0 0 387.816 3.099 40 0 GGABRN COc1ccc(Cl)cc1S(=O)(=O)NCCOc1ccc(Cl)cc1 ZINC000225113243 206037649 /nfs/dbraw/zinc/03/76/49/206037649.db2.gz YGELDYMYYBVZRP-UHFFFAOYSA-N 0 0 376.261 3.359 40 0 GGABRN CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225112459 206037688 /nfs/dbraw/zinc/03/76/88/206037688.db2.gz UKHJDVMYSYBZLN-UHFFFAOYSA-N 0 0 381.425 3.145 40 0 GGABRN COC(=O)c1ccc(Cl)c(N(C)S(=O)(=O)c2ccc(OC)c(F)c2)c1 ZINC000225115284 206037709 /nfs/dbraw/zinc/03/77/09/206037709.db2.gz PXNXGSQRLPPLKZ-UHFFFAOYSA-N 0 0 387.816 3.099 40 0 GGABRN CCn1c2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2sc1=O ZINC000225104936 206037713 /nfs/dbraw/zinc/03/77/13/206037713.db2.gz RUKNFWYANUVICW-UHFFFAOYSA-N 0 0 395.484 3.458 40 0 GGABRN CCOC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225096523 206037850 /nfs/dbraw/zinc/03/78/50/206037850.db2.gz SNGPBVVROGFPPO-UHFFFAOYSA-N 0 0 395.452 3.210 40 0 GGABRN CCCC[C@@H](CC)CNC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000225117864 206037879 /nfs/dbraw/zinc/03/78/79/206037879.db2.gz LJQWJTUVMHJJQW-MRXNPFEDSA-N 0 0 398.569 3.211 40 0 GGABRN COc1ccc(OCCNS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 ZINC000225158447 206038451 /nfs/dbraw/zinc/03/84/51/206038451.db2.gz WRGKKHVWFIEJAM-UHFFFAOYSA-N 0 0 387.457 3.214 40 0 GGABRN CCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1cccs1 ZINC000225130387 206038569 /nfs/dbraw/zinc/03/85/69/206038569.db2.gz AEUNGZGHEWWVNR-UHFFFAOYSA-N 0 0 389.882 3.169 40 0 GGABRN CCCNC(=O)c1nn(CC)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000028238555 206038751 /nfs/dbraw/zinc/03/87/51/206038751.db2.gz XDOWMAZDWDCOFV-UHFFFAOYSA-N 0 0 386.496 3.358 40 0 GGABRN Cc1cc(C)n(CCCNC(=O)c2ccc(COc3ccc4c(c3)OCO4)o2)n1 ZINC000028236496 206038767 /nfs/dbraw/zinc/03/87/67/206038767.db2.gz OVUOAUKBINRBJB-UHFFFAOYSA-N 0 0 397.431 3.221 40 0 GGABRN CCOC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cccs1 ZINC000225132622 206038832 /nfs/dbraw/zinc/03/88/32/206038832.db2.gz DCMJVKRZLWDVPH-UHFFFAOYSA-N 0 0 389.882 3.169 40 0 GGABRN CSc1ccccc1NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000225157038 206039039 /nfs/dbraw/zinc/03/90/39/206039039.db2.gz JRQNCJNQVQVMHT-UHFFFAOYSA-N 0 0 398.937 3.462 40 0 GGABRN C[C@@H]1C[C@@H](C)CN(Cc2nnc(CN3C[C@H](C)C[C@H](C)C3)n2-n2cccc2)C1 ZINC000225151528 206039277 /nfs/dbraw/zinc/03/92/77/206039277.db2.gz FVESPSCPWAUTHL-WTGUMLROSA-N 0 0 384.572 3.347 40 0 GGABRN Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cnn(Cc2ccc(C)cc2)c1 ZINC000028239012 206039334 /nfs/dbraw/zinc/03/93/34/206039334.db2.gz LZIVBFCPRLRXSW-UHFFFAOYSA-N 0 0 377.370 3.402 40 0 GGABRN C[C@@H]1C[C@H](C)CN(Cc2nnc(CN3C[C@H](C)C[C@H](C)C3)n2-n2cccc2)C1 ZINC000225151567 206039550 /nfs/dbraw/zinc/03/95/50/206039550.db2.gz FVESPSCPWAUTHL-FGYAAKKASA-N 0 0 384.572 3.347 40 0 GGABRN Cc1nn(Cn2ccc(C(=O)NCc3ccccc3Cl)n2)c(C)c1Cl ZINC000028238268 206039635 /nfs/dbraw/zinc/03/96/35/206039635.db2.gz ZCKVWKFRVCEUNY-UHFFFAOYSA-N 0 0 378.263 3.439 40 0 GGABRN Cc1cc(C)n(Cn2ccc(C(=O)Nc3cc(C)nn3-c3ccc(F)cc3)n2)n1 ZINC000028243367 206040085 /nfs/dbraw/zinc/04/00/85/206040085.db2.gz DBGAHFCMPYGHMJ-UHFFFAOYSA-N 0 0 393.426 3.088 40 0 GGABRN CCc1ccc(CC)c(CNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 ZINC000225187926 206040585 /nfs/dbraw/zinc/04/05/85/206040585.db2.gz NAKHRBZZIPORSU-INIZCTEOSA-N 0 0 388.533 3.282 40 0 GGABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(C)c(C)c1 ZINC000225203759 206040593 /nfs/dbraw/zinc/04/05/93/206040593.db2.gz NEWQLIWQTMEGAK-IBGZPJMESA-N 0 0 390.505 3.495 40 0 GGABRN O=C(NCCOc1ccc(F)cc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000225193049 206040735 /nfs/dbraw/zinc/04/07/35/206040735.db2.gz AHQBFHGCHGVWQW-HKWRFOASSA-N 0 0 394.402 3.385 40 0 GGABRN CC(C)[C@@H](C)NC(=O)CN(c1ccccc1Oc1ccccc1)S(C)(=O)=O ZINC000225212784 206040741 /nfs/dbraw/zinc/04/07/41/206040741.db2.gz QSSMGKCOSOATIG-MRXNPFEDSA-N 0 0 390.505 3.406 40 0 GGABRN CCOc1ccc(Nc2cc(C)nc(NC(=S)N[C@@H](C)COC)n2)cc1 ZINC000225201264 206040791 /nfs/dbraw/zinc/04/07/91/206040791.db2.gz CRAIUTGVVMSGKU-ZDUSSCGKSA-N 0 0 375.498 3.249 40 0 GGABRN CSc1ccc(S(=O)(=O)N[C@H](C)C(C)C)cc1C(=O)N1CCCCC1 ZINC000225213545 206040936 /nfs/dbraw/zinc/04/09/36/206040936.db2.gz DCEUUOBYDWPJNB-CQSZACIVSA-N 0 0 384.567 3.357 40 0 GGABRN Cc1ccc(N(CC(=O)N[C@@H](C)C(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000225194078 206040972 /nfs/dbraw/zinc/04/09/72/206040972.db2.gz FBOIYADCKFCDJL-INIZCTEOSA-N 0 0 392.496 3.490 40 0 GGABRN COc1cc(NC(=S)N2CCN(Cc3ccco3)CC2)c(OC)cc1Cl ZINC000225215077 206041282 /nfs/dbraw/zinc/04/12/82/206041282.db2.gz GRZRJYAHWXQFGQ-UHFFFAOYSA-N 0 0 395.912 3.465 40 0 GGABRN Cc1ccc(CN(CC(=O)N(C)Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000225266938 206041360 /nfs/dbraw/zinc/04/13/60/206041360.db2.gz RFXXYFNTGOUISV-UHFFFAOYSA-N 0 0 394.924 3.069 40 0 GGABRN Cc1ccc(C)c(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c1 ZINC000225232099 206041387 /nfs/dbraw/zinc/04/13/87/206041387.db2.gz AXGSVOAUCIBHNM-UHFFFAOYSA-N 0 0 380.897 3.357 40 0 GGABRN CC(C)[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000225229392 206041419 /nfs/dbraw/zinc/04/14/19/206041419.db2.gz HXQISBYRXZGUKG-GDBMZVCRSA-N 0 0 386.945 3.043 40 0 GGABRN COc1cc(NC(=S)NC2CCN(C(=O)c3ccccc3)CC2)cc(OC)c1 ZINC000225226570 206041699 /nfs/dbraw/zinc/04/16/99/206041699.db2.gz BRPCKFCLYSWMEM-UHFFFAOYSA-N 0 0 399.516 3.295 40 0 GGABRN Cc1cc(C)n(C2=Nc3sc4c(c3[C@@H](NC[C@H]3CCCO3)N2)CCCC4)n1 ZINC000028286505 206041756 /nfs/dbraw/zinc/04/17/56/206041756.db2.gz SYQLRZZLESEJIG-KDOFPFPSSA-N 0 0 385.537 3.346 40 0 GGABRN CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1)c1ccc(C)c(C)c1 ZINC000225223864 206041778 /nfs/dbraw/zinc/04/17/78/206041778.db2.gz VGJHNMJFICKTEB-CQSZACIVSA-N 0 0 396.538 3.179 40 0 GGABRN CC(C)[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000225229489 206042236 /nfs/dbraw/zinc/04/22/36/206042236.db2.gz LAHMDANVFAWALU-GDBMZVCRSA-N 0 0 386.945 3.043 40 0 GGABRN O=C(NCCSC1CCCC1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000225270118 206042316 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Cc1ccc(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)cc1C ZINC000097674637 206124219 /nfs/dbraw/zinc/12/42/19/206124219.db2.gz SEPOLJKIQGVKBS-WOJGMQOQSA-N 0 0 395.484 3.094 40 0 GGABRN CCn1cc(Cl)c(C(=O)N2C[C@@H](c3nc(C)no3)[C@@H](c3ccccc3)C2)n1 ZINC000239593149 206124621 /nfs/dbraw/zinc/12/46/21/206124621.db2.gz DRKFBEDDQOOEMR-HUUCEWRRSA-N 0 0 385.855 3.271 40 0 GGABRN NC(=O)COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 ZINC000097995922 206125329 /nfs/dbraw/zinc/12/53/29/206125329.db2.gz OBMAYRRVQPMKHB-VIZOYTHASA-N 0 0 391.210 3.202 40 0 GGABRN COC(=O)[C@H](N)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000098043830 206125386 /nfs/dbraw/zinc/12/53/86/206125386.db2.gz LDXZBXJAYFRKAX-HXUWFJFHSA-N 0 0 382.460 3.196 40 0 GGABRN CCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)[C@H]2C(=O)CC(C)(C)C[C@]21O ZINC000229978629 206110611 /nfs/dbraw/zinc/11/06/11/206110611.db2.gz NQASECOTXCZMGO-RKVPGOIHSA-N 0 0 384.398 3.486 40 0 GGABRN CC(C)c1ccc(OCC(=O)NCC2CCN(c3ncc(F)cn3)CC2)cc1 ZINC000240067927 206126754 /nfs/dbraw/zinc/12/67/54/206126754.db2.gz SDWBPXMFPFNGRQ-UHFFFAOYSA-N 0 0 386.471 3.151 40 0 GGABRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O ZINC000230123185 206111514 /nfs/dbraw/zinc/11/15/14/206111514.db2.gz GUUPAMIBFONLGQ-GXNBUGAJSA-N 0 0 376.453 3.051 40 0 GGABRN O=C(NCC1CCN(c2ncc(F)cn2)CC1)c1ccccc1Br ZINC000252481786 206137990 /nfs/dbraw/zinc/13/79/90/206137990.db2.gz CRYFBYJGLDNREX-UHFFFAOYSA-N 0 0 393.260 3.025 40 0 GGABRN CCCC[C@@H]1Oc2ccc(S(=O)(=O)NCCc3ccccc3)cc2NC1=O ZINC000252496557 206140014 /nfs/dbraw/zinc/14/00/14/206140014.db2.gz PLHWBQRISDOVAA-IBGZPJMESA-N 0 0 388.489 3.097 40 0 GGABRN O=C(NCC1CCN(c2ncc(F)cn2)CC1)c1csc(-c2ccccc2)n1 ZINC000252501561 206141448 /nfs/dbraw/zinc/14/14/48/206141448.db2.gz UHJPBOHSWBTGTF-UHFFFAOYSA-N 0 0 397.479 3.386 40 0 GGABRN CCCC[C@@H]1Oc2ccc(S(=O)(=O)N(C)Cc3cccs3)cc2NC1=O ZINC000252508197 206142791 /nfs/dbraw/zinc/14/27/91/206142791.db2.gz XFZJIRKSBJNGJF-KRWDZBQOSA-N 0 0 394.518 3.459 40 0 GGABRN Cc1cc(OC2CN(C(=O)CSc3ccc(F)cc3)C2)cc(=O)n1C1CC1 ZINC000252553210 206143548 /nfs/dbraw/zinc/14/35/48/206143548.db2.gz VHXNBJLDESQQSH-UHFFFAOYSA-N 0 0 388.464 3.013 40 0 GGABRN Cc1cc(OC2CN(C(=O)c3nc4ccccc4s3)C2)cc(=O)n1C1CC1 ZINC000252539131 206143786 /nfs/dbraw/zinc/14/37/86/206143786.db2.gz NTLXFWRFDUFAMH-UHFFFAOYSA-N 0 0 381.457 3.005 40 0 GGABRN O=S(=O)(c1ccccc1F)N1CCC2(CC1)OCC[C@@H]2CCOCC1CC1 ZINC000247319785 206132744 /nfs/dbraw/zinc/13/27/44/206132744.db2.gz LGJPXLSFDSHFBW-KRWDZBQOSA-N 0 0 397.512 3.202 40 0 GGABRN O=C(NCC1CCN(c2ncc(F)cn2)CC1)c1ccccc1C(F)(F)F ZINC000245053692 206133470 /nfs/dbraw/zinc/13/34/70/206133470.db2.gz PGGPFGWCBWQEAA-UHFFFAOYSA-N 0 0 382.361 3.281 40 0 GGABRN O=C(c1ccnc2ccccc21)N1CC2(C1)C[C@H](Oc1ccccn1)CS2 ZINC000247800215 206134272 /nfs/dbraw/zinc/13/42/72/206134272.db2.gz FNIVMNIBPQZKBS-HNNXBMFYSA-N 0 0 377.469 3.409 40 0 GGABRN CCn1nc(C)cc1C(=O)N1CC2(C1)OCC[C@H]2CCOCC1CCCC1 ZINC000247842084 206134330 /nfs/dbraw/zinc/13/43/30/206134330.db2.gz QKVSYYIWJHQZTN-GOSISDBHSA-N 0 0 375.513 3.039 40 0 GGABRN CCOCC[C@H]1CCOC12CCN(C(=O)Cc1ccc(F)cc1OC)CC2 ZINC000247925697 206134671 /nfs/dbraw/zinc/13/46/71/206134671.db2.gz ZFJTTYZUOTWFGR-KRWDZBQOSA-N 0 0 379.472 3.201 40 0 GGABRN COc1ccc(C(=O)N2CC3(C2)OCC[C@@H]3CCOCC2CC2)cc1Cl ZINC000248143992 206134775 /nfs/dbraw/zinc/13/47/75/206134775.db2.gz RNBSGVKSEOPUOD-INIZCTEOSA-N 0 0 379.884 3.396 40 0 GGABRN O=C(c1cccc(Cl)c1)N1CC2(C1)C[C@@H](OCC1CCOCC1)CCO2 ZINC000247961775 206135207 /nfs/dbraw/zinc/13/52/07/206135207.db2.gz XUGYEERBVAPTCY-SFHVURJKSA-N 0 0 379.884 3.157 40 0 GGABRN O=C(C1CCSCC1)N1CCC2(CC1)OCC[C@@H]2CCOc1ccccn1 ZINC000247887102 206135286 /nfs/dbraw/zinc/13/52/86/206135286.db2.gz XIEIXUGHYLCITG-SFHVURJKSA-N 0 0 390.549 3.391 40 0 GGABRN Cc1nc(CO[C@H]2CCOC3(CN(C(=O)c4ccc(F)cc4)C3)C2)cs1 ZINC000248025231 206135329 /nfs/dbraw/zinc/13/53/29/206135329.db2.gz KESMYBAXTPIZDL-KRWDZBQOSA-N 0 0 376.453 3.181 40 0 GGABRN O=C(c1ccc2ccccc2n1)N1CC2(C1)C[C@@H](Oc1cccnc1)CS2 ZINC000247948174 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CCOc1ccc([C@H]2[C@H](C(=O)NCc3cccnc3)CCC(=O)N2CC)cc1 ZINC000257201763 206157167 /nfs/dbraw/zinc/15/71/67/206157167.db2.gz AIYPHMDYNZWMPR-CTNGQTDRSA-N 0 0 381.476 3.096 40 0 GGABRN O=C(COc1ccccc1)N1CCC(c2cccc(Nc3cnccn3)n2)CC1 ZINC000257201454 206157440 /nfs/dbraw/zinc/15/74/40/206157440.db2.gz AHUGFNFGTIBAAY-UHFFFAOYSA-N 0 0 389.459 3.400 40 0 GGABRN Cc1noc(C)c1-c1cc(C)nc([C@H]2CCCCN2C(=O)c2cnn(C)c2)n1 ZINC000257202256 206157532 /nfs/dbraw/zinc/15/75/32/206157532.db2.gz ALBMZURQNZBPTR-QGZVFWFLSA-N 0 0 380.452 3.158 40 0 GGABRN Cc1nccc(N2CCC[C@@H](c3c4cccnc4sc3C(=O)N(C)C)C2)n1 ZINC000257200291 206157659 /nfs/dbraw/zinc/15/76/59/206157659.db2.gz ACTRDVJBEXNVDP-CQSZACIVSA-N 0 0 381.505 3.481 40 0 GGABRN COc1ccc(-c2cccc(CC3(C(=O)NC[C@H](C)O)CCOCC3)c2)cc1 ZINC000257198196 206157749 /nfs/dbraw/zinc/15/77/49/206157749.db2.gz VUXUAUDIPGJRDL-KRWDZBQOSA-N 0 0 383.488 3.199 40 0 GGABRN CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CC[N@H+](CCCC(=O)[O-])C[C@H]3C[C@H]21 ZINC000257202591 206158318 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GGABRN O=C(COc1ccccc1)N1CC[C@@H](c2ccnc(Nc3ccccn3)n2)C1 ZINC000257206803 206159125 /nfs/dbraw/zinc/15/91/25/206159125.db2.gz BEXWDQRZNWVTLG-MRXNPFEDSA-N 0 0 375.432 3.010 40 0 GGABRN CCOc1cc(-c2cc(-c3ccc(NC(C)=O)cc3)nn2CCO)ccc1O ZINC000257208211 206159326 /nfs/dbraw/zinc/15/93/26/206159326.db2.gz BLEDABAIUUZKJF-UHFFFAOYSA-N 0 0 381.432 3.272 40 0 GGABRN Fc1ccccc1OCCc1cc([C@H]2CN(Cc3ccccn3)CCO2)[nH]n1 ZINC000257209565 206159385 /nfs/dbraw/zinc/15/93/85/206159385.db2.gz BQWPHGMQNPGKAR-OAQYLSRUSA-N 0 0 382.439 3.139 40 0 GGABRN Cc1cc(Nc2cccc([C@@H]3CN(C(=O)C4CCCCC4)CCO3)n2)nn1C ZINC000257211398 206159407 /nfs/dbraw/zinc/15/94/07/206159407.db2.gz BYRUYNAWTIAWLD-SFHVURJKSA-N 0 0 383.496 3.347 40 0 GGABRN COCCOCC(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257228733 206162156 /nfs/dbraw/zinc/16/21/56/206162156.db2.gz FVABWPITTZHIHJ-SFHVURJKSA-N 0 0 376.428 3.121 40 0 GGABRN Cc1cnc(C(=O)N2CCO[C@@H](c3cc(Cc4ccccc4)cc(C)n3)C2)cn1 ZINC000257229329 206162161 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/nfs/dbraw/zinc/19/33/43/560193343.db2.gz WVPPLOSRTXOZAP-DFXOCPFWSA-N 0 0 394.508 3.161 40 0 biogenic,in-vitro GGABRN O=C(c1ccncc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3cccs3)ccc12 ZINC000004237149 560197648 /nfs/dbraw/zinc/19/76/48/560197648.db2.gz PLCPCFLFHJJSAA-GOEBONIOSA-N 0 0 377.469 3.231 40 0 biogenic,in-vitro GGABRN COc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)NC(C)C)C2)C3)cc1 ZINC000004237371 560197761 /nfs/dbraw/zinc/19/77/61/560197761.db2.gz UTFOCDAUIVUVKK-DOTOQJQBSA-N 0 0 381.476 3.061 40 0 biogenic,in-vitro GGABRN COCCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3ccc(SC)cc3)c12 ZINC000004237472 560197906 /nfs/dbraw/zinc/19/79/06/560197906.db2.gz YNBCXEJADITDLL-DOTOQJQBSA-N 0 0 398.528 3.219 40 0 biogenic,in-vitro GGABRN O=C(NC1CCCCC1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3cccnc3)ccc12 ZINC000005396545 560201630 /nfs/dbraw/zinc/20/16/30/560201630.db2.gz YCQXAQOZNPOCIW-FUHWJXTLSA-N 0 0 392.503 3.372 40 0 biogenic,in-vitro GGABRN C[C@H](NC(=O)CSc1nc2ccccc2c(=O)[nH]1)c1nc2ccccc2[nH]1 ZINC000012401852 560211741 /nfs/dbraw/zinc/21/17/41/560211741.db2.gz JHPMZSYLGXPICT-NSHDSACASA-N 0 0 379.445 3.181 40 0 biogenic,in-vitro GGABRN Cc1c(Cl)cccc1NC(=O)Cn1c(=O)cc(C(=O)N(C)C)c2ccccc21 ZINC000012372470 560211764 /nfs/dbraw/zinc/21/17/64/560211764.db2.gz QDZKYUKQCBVJMP-UHFFFAOYSA-N 0 0 397.862 3.304 40 0 biogenic,in-vitro GGABRN Cc1nc2sc3c(c2c(SCC(=O)NC[C@H]2CCCO2)n1)CCCC3 ZINC000000783253 564179806 /nfs/dbraw/zinc/17/98/06/564179806.db2.gz QTZTWECOTBQMCG-GFCCVEGCSA-N 0 0 377.535 3.266 40 0 GGABRN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccco2)n1C ZINC000000780174 564179972 /nfs/dbraw/zinc/17/99/72/564179972.db2.gz ZKZOTUDGDLYWIJ-UHFFFAOYSA-N 0 0 378.841 3.468 40 0 GGABRN NC(=O)[C@H]1CC(=O)N(c2ccc(OCc3c(Cl)cccc3Cl)cc2)C1 ZINC000000794317 564180142 /nfs/dbraw/zinc/18/01/42/564180142.db2.gz ZBAWXPNIQVSWNF-NSHDSACASA-N 0 0 379.243 3.411 40 0 GGABRN Cc1ccc(OCC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 ZINC000000783714 564180184 /nfs/dbraw/zinc/18/01/84/564180184.db2.gz SJCKIXOIEIXSLX-UHFFFAOYSA-N 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CS(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1cc(Cl)ccc1Cl ZINC000010449262 564258170 /nfs/dbraw/zinc/25/81/70/564258170.db2.gz RVANATAKBIAWOR-UHFFFAOYSA-N 0 0 399.299 3.349 40 0 GGABRN Cc1csc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)n1 ZINC000010555893 564258870 /nfs/dbraw/zinc/25/88/70/564258870.db2.gz QZEMWVKZYRZADW-UHFFFAOYSA-N 0 0 385.898 3.142 40 0 GGABRN Cc1ccc(Cl)cc1N(CCCC(=O)N1CCC[C@@H](C)C1)S(C)(=O)=O ZINC000010541689 564258998 /nfs/dbraw/zinc/25/89/98/564258998.db2.gz IJZACBQLRHCVST-CQSZACIVSA-N 0 0 386.945 3.453 40 0 GGABRN CNC(=O)COC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 ZINC000011070239 564261992 /nfs/dbraw/zinc/26/19/92/564261992.db2.gz USJUXTPQQNUBCZ-UHFFFAOYSA-N 0 0 377.853 3.011 40 0 GGABRN O=C(Nc1cccc(Br)c1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000011781280 564265689 /nfs/dbraw/zinc/26/56/89/564265689.db2.gz XCBKRCFOIPZASA-UHFFFAOYSA-N 0 0 384.233 3.306 40 0 GGABRN CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1 ZINC000012525982 564268252 /nfs/dbraw/zinc/26/82/52/564268252.db2.gz OVQHTBPZYSYODS-UHFFFAOYSA-N 0 0 382.507 3.156 40 0 GGABRN CN(CCNC(=O)c1ccccc1I)c1ccccc1 ZINC000012611654 564269127 /nfs/dbraw/zinc/26/91/27/564269127.db2.gz LSHBYXGCUDDRBB-UHFFFAOYSA-N 0 0 380.229 3.157 40 0 GGABRN COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000012970102 564272709 /nfs/dbraw/zinc/27/27/09/564272709.db2.gz NINSUEQEAAVLJH-UHFFFAOYSA-N 0 0 384.251 3.061 40 0 GGABRN CCc1noc(C)c1C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000013004509 564273591 /nfs/dbraw/zinc/27/35/91/564273591.db2.gz ZXQZVQGNAZBSQZ-UHFFFAOYSA-N 0 0 394.269 3.327 40 0 GGABRN O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Br)cc1 ZINC000012994954 564273681 /nfs/dbraw/zinc/27/36/81/564273681.db2.gz AAZYJSVQIUROPA-UHFFFAOYSA-N 0 0 389.293 3.211 40 0 GGABRN Cc1c(Cl)cccc1N(CC(=O)N1CCc2ccccc21)S(C)(=O)=O ZINC000013670323 564276952 /nfs/dbraw/zinc/27/69/52/564276952.db2.gz MIBKSPXLQKSPLF-UHFFFAOYSA-N 0 0 378.881 3.004 40 0 GGABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1cc(Cl)ccc1C ZINC000013582861 564277273 /nfs/dbraw/zinc/27/72/73/564277273.db2.gz ZKLHEWHQVMZOMA-UHFFFAOYSA-N 0 0 382.869 3.305 40 0 GGABRN CC[C@@H](C(=O)c1ccc(Br)cc1)[C@H]1[C@@H](C(=O)OC)C(=O)OC1(C)C ZINC000013592453 564277406 /nfs/dbraw/zinc/27/74/06/564277406.db2.gz MEPKSPABEKNEAO-RDBSUJKOSA-N 0 0 397.265 3.399 40 0 GGABRN O=S(=O)(NCc1ccccc1Cl)c1ccc(C2N=NC(=S)O2)cc1 ZINC000013534707 564277416 /nfs/dbraw/zinc/27/74/16/564277416.db2.gz UYAPOZGLEQVWRA-UHFFFAOYSA-N 0 0 381.866 3.157 40 0 GGABRN O=S(=O)(Cc1c(F)cccc1Cl)NCCCN1CCc2ccccc21 ZINC000013670012 564277471 /nfs/dbraw/zinc/27/74/71/564277471.db2.gz FSOGQZMXBBEIQM-UHFFFAOYSA-N 0 0 382.888 3.351 40 0 GGABRN COc1ccccc1-c1noc(CNC(=O)c2ccccc2Br)n1 ZINC000013495181 564277515 /nfs/dbraw/zinc/27/75/15/564277515.db2.gz SWIXGNPXVHDUME-UHFFFAOYSA-N 0 0 388.221 3.438 40 0 GGABRN CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000013677459 564278406 /nfs/dbraw/zinc/27/84/06/564278406.db2.gz VBYKGPPYWREQGO-UHFFFAOYSA-N 0 0 393.336 3.061 40 0 GGABRN CCN(c1ccc(C(=O)NCCSC2CCCCC2)cc1)S(C)(=O)=O ZINC000013682984 564278443 /nfs/dbraw/zinc/27/84/43/564278443.db2.gz UJFYBPKYIDNQJL-UHFFFAOYSA-N 0 0 384.567 3.268 40 0 GGABRN CC[C@H](C(=O)NCCSC(C)(C)C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715550 564278466 /nfs/dbraw/zinc/27/84/66/564278466.db2.gz PSJWDLGRPXZJTH-OAHLLOKOSA-N 0 0 390.546 3.018 40 0 GGABRN CCNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)ccc1OC ZINC000013678021 564278594 /nfs/dbraw/zinc/27/85/94/564278594.db2.gz NFNIIJBXRXOVIY-UHFFFAOYSA-N 0 0 382.869 3.208 40 0 GGABRN Cc1sc2ncn(CC(=O)N(C)Cc3ccc(Cl)s3)c(=O)c2c1C ZINC000014114958 564279580 /nfs/dbraw/zinc/27/95/80/564279580.db2.gz TZKQGZNZDWHEQX-UHFFFAOYSA-N 0 0 381.910 3.448 40 0 GGABRN CCNC(=O)NC(=O)[C@@H](C)Sc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000014095226 564279674 /nfs/dbraw/zinc/27/96/74/564279674.db2.gz UPNVXPMTSOJGIU-SECBINFHSA-N 0 0 397.298 3.166 40 0 GGABRN O=S(=O)(NCCCn1cc(Br)cn1)c1ccc2ccccc2c1 ZINC000014250192 564280562 /nfs/dbraw/zinc/28/05/62/564280562.db2.gz APIGWZIHCFJNQS-UHFFFAOYSA-N 0 0 394.294 3.167 40 0 GGABRN O=C(Nc1cccc(C(=O)Nn2cnnc2)c1)c1ccc(Cl)cc1Cl ZINC000014405840 564282550 /nfs/dbraw/zinc/28/25/50/564282550.db2.gz BIPULOSNDJJKOA-UHFFFAOYSA-N 0 0 376.203 3.221 40 0 GGABRN Cc1[nH]c(=S)sc1CC(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000014404601 564282837 /nfs/dbraw/zinc/28/28/37/564282837.db2.gz WPXBEDGFEJGYFT-OAHLLOKOSA-N 0 0 376.482 3.435 40 0 GGABRN CN(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000014824786 564283224 /nfs/dbraw/zinc/28/32/24/564283224.db2.gz PXMXXBOBLADCIK-UHFFFAOYSA-N 0 0 391.251 3.392 40 0 GGABRN Cc1cc(I)ccc1NC(=O)COc1ccc(C=O)cc1 ZINC000014737677 564283530 /nfs/dbraw/zinc/28/35/30/564283530.db2.gz DQINPOQNTNMQRS-UHFFFAOYSA-N 0 0 395.196 3.430 40 0 GGABRN Nc1nnc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)s1 ZINC000015156271 564284683 /nfs/dbraw/zinc/28/46/83/564284683.db2.gz RSZRYXXITJUOOI-JTQLQIEISA-N 0 0 391.503 3.245 40 0 GGABRN CC(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3ccc(Cl)cc3)ccc21 ZINC000015329302 564285483 /nfs/dbraw/zinc/28/54/83/564285483.db2.gz PGYJUPSYSSTVBO-UHFFFAOYSA-N 0 0 378.881 3.070 40 0 GGABRN Cc1cc(OCCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1Cl ZINC000015270507 564285494 /nfs/dbraw/zinc/28/54/94/564285494.db2.gz HTEDHEUWTOMLCT-UHFFFAOYSA-N 0 0 382.869 3.094 40 0 GGABRN O=C(NCCCN1CCOCC1)c1cccc2c(Br)cccc12 ZINC000015228179 564285498 /nfs/dbraw/zinc/28/54/98/564285498.db2.gz BKLQLYNHGPNCRI-UHFFFAOYSA-N 0 0 377.282 3.054 40 0 GGABRN C[C@H](NC(=O)c1ccccc1Br)c1ccc(S(C)(=O)=O)cc1 ZINC000015197038 564285578 /nfs/dbraw/zinc/28/55/78/564285578.db2.gz OVZUDMPROFTOSS-NSHDSACASA-N 0 0 382.279 3.344 40 0 GGABRN O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1cc(Cl)cc(Cl)c1 ZINC000015434943 564287488 /nfs/dbraw/zinc/28/74/88/564287488.db2.gz OPOSBBUEWHSMRJ-UHFFFAOYSA-N 0 0 398.271 3.061 40 0 GGABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000015579248 564288821 /nfs/dbraw/zinc/28/88/21/564288821.db2.gz FHQCSKBUDGSPIJ-FARCUNLSSA-N 0 0 388.221 3.279 40 0 GGABRN COc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1Cl ZINC000015840388 564290193 /nfs/dbraw/zinc/29/01/93/564290193.db2.gz XVZSUVHJTVXCDK-UHFFFAOYSA-N 0 0 382.869 3.288 40 0 GGABRN O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1cc(Cl)ccc1Cl ZINC000016084609 564290897 /nfs/dbraw/zinc/29/08/97/564290897.db2.gz OTNWFWSHMRJRFP-UHFFFAOYSA-N 0 0 377.224 3.050 40 0 GGABRN NC(=O)c1ccccc1OS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000016094570 564291068 /nfs/dbraw/zinc/29/10/68/564291068.db2.gz LGWTYUUUZNTOFJ-UHFFFAOYSA-N 0 0 379.743 3.225 40 0 GGABRN O=C(Nc1ccc(Br)cc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000015956134 564291165 /nfs/dbraw/zinc/29/11/65/564291165.db2.gz QRZYASGRRPNXNA-QWHCGFSZSA-N 0 0 388.265 3.262 40 0 GGABRN Cc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c(C)c1 ZINC000016100842 564291788 /nfs/dbraw/zinc/29/17/88/564291788.db2.gz ZPQVKDRYWIBZRD-UHFFFAOYSA-N 0 0 389.445 3.409 40 0 GGABRN CN(CC(=O)Nc1ccccc1Cl)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000016177586 564292335 /nfs/dbraw/zinc/29/23/35/564292335.db2.gz UJOFNRYKKZNFLE-MRXNPFEDSA-N 0 0 379.243 3.394 40 0 GGABRN CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000016299393 564292834 /nfs/dbraw/zinc/29/28/34/564292834.db2.gz LHSLEVLYVUXRSS-HNNXBMFYSA-N 0 0 396.921 3.215 40 0 GGABRN O=c1oc2ccccc2cc1-c1csc(S[C@@H]2CCS(=O)(=O)C2)n1 ZINC000016525631 564294144 /nfs/dbraw/zinc/29/41/44/564294144.db2.gz DQRQNUNDPWEUGZ-LLVKDONJSA-N 0 0 379.484 3.196 40 0 GGABRN CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2C)ccc1OC ZINC000016681872 564295246 /nfs/dbraw/zinc/29/52/46/564295246.db2.gz WLVXLFWUCZYWPZ-UHFFFAOYSA-N 0 0 382.869 3.208 40 0 GGABRN CCNS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1OC ZINC000016681821 564295270 /nfs/dbraw/zinc/29/52/70/564295270.db2.gz RYUOFSWDGAMMNO-UHFFFAOYSA-N 0 0 382.869 3.208 40 0 GGABRN Cc1nn(CC(=O)Nc2cccc(Br)c2)c(=S)n1-n1cccc1 ZINC000016777883 564296156 /nfs/dbraw/zinc/29/61/56/564296156.db2.gz JKIAAIMMOCIKIX-UHFFFAOYSA-N 0 0 392.282 3.237 40 0 GGABRN O=S(=O)(NC1CCCC1)c1ccc(Br)cc1Br ZINC000016780103 564296175 /nfs/dbraw/zinc/29/61/75/564296175.db2.gz SUQLZCNCQURFPI-UHFFFAOYSA-N 0 0 383.105 3.433 40 0 GGABRN O=C1CS[C@]2(C(=O)Nc3ccc(Br)cc32)N1c1ccccc1 ZINC000017076746 564297022 /nfs/dbraw/zinc/29/70/22/564297022.db2.gz NEPRHMDYLIAIQV-MRXNPFEDSA-N 0 0 375.247 3.334 40 0 GGABRN O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCCC3)Nc1cccc(Cl)c1 ZINC000017149988 564297348 /nfs/dbraw/zinc/29/73/48/564297348.db2.gz SXBFRFYDOMIZAL-ZDUSSCGKSA-N 0 0 375.881 3.451 40 0 GGABRN O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1ccc(Cl)cc1 ZINC000017360413 564298603 /nfs/dbraw/zinc/29/86/03/564298603.db2.gz AEMWFDQJDPKNAO-UHFFFAOYSA-N 0 0 380.853 3.082 40 0 GGABRN CN(C)c1ccc(N[C@@H]2CC(=O)N(c3cccc(Br)c3)C2=O)cc1 ZINC000017877551 564299321 /nfs/dbraw/zinc/29/93/21/564299321.db2.gz PHGUZMOJYRXFSI-MRXNPFEDSA-N 0 0 388.265 3.259 40 0 GGABRN COC(=O)c1cc(CNC(=O)c2ccccc2Br)ccc1OC ZINC000018060414 564300343 /nfs/dbraw/zinc/30/03/43/564300343.db2.gz BFSCZVPOSBAIJX-UHFFFAOYSA-N 0 0 378.222 3.174 40 0 GGABRN Cc1cc2c(cc1Cl)C=CC1(CCN(S(=O)(=O)N3CCCC3)CC1)O2 ZINC000019125745 564302204 /nfs/dbraw/zinc/30/22/04/564302204.db2.gz AIKBFWLCYJJMKV-UHFFFAOYSA-N 0 0 382.913 3.229 40 0 GGABRN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cccc2nsnc21 ZINC000019077521 564302373 /nfs/dbraw/zinc/30/23/73/564302373.db2.gz PXUKRBVPPPYENX-UHFFFAOYSA-N 0 0 388.758 3.164 40 0 GGABRN O=S(=O)(c1ccc(F)cc1)N1CC[C@@H](c2nnc(-c3cccs3)o2)C1 ZINC000019344868 564302797 /nfs/dbraw/zinc/30/27/97/564302797.db2.gz UZVSZDXVCVFEEZ-LLVKDONJSA-N 0 0 379.438 3.115 40 0 GGABRN COc1ccc(Cl)cc1NC(=O)CN1CCN(Cc2cccs2)CC1 ZINC000019540020 564303150 /nfs/dbraw/zinc/30/31/50/564303150.db2.gz JNTNDBVWHZVVPA-UHFFFAOYSA-N 0 0 379.913 3.166 40 0 GGABRN O=C(CCn1cnnn1)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000019293005 564303191 /nfs/dbraw/zinc/30/31/91/564303191.db2.gz BTHDWNIDPCCREM-UHFFFAOYSA-N 0 0 383.264 3.056 40 0 GGABRN CNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000019171482 564303336 /nfs/dbraw/zinc/30/33/36/564303336.db2.gz GODYRORCWTVDDC-UHFFFAOYSA-N 0 0 387.288 3.473 40 0 GGABRN Cc1ncsc1-c1nnc([C@@H]2CCCN2S(=O)(=O)c2ccccc2)o1 ZINC000019563113 564303530 /nfs/dbraw/zinc/30/35/30/564303530.db2.gz APYOIGCFCDHEQG-ZDUSSCGKSA-N 0 0 376.463 3.027 40 0 GGABRN O=S(=O)(c1ccc(F)cc1)N1CC[C@H](c2nnc(-c3cccs3)o2)C1 ZINC000019344871 564303569 /nfs/dbraw/zinc/30/35/69/564303569.db2.gz UZVSZDXVCVFEEZ-NSHDSACASA-N 0 0 379.438 3.115 40 0 GGABRN O=S(=O)(c1ccccc1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 ZINC000019373630 564303653 /nfs/dbraw/zinc/30/36/53/564303653.db2.gz HMMABUPVNGBENX-ZDUSSCGKSA-N 0 0 375.475 3.366 40 0 GGABRN CCOc1cccc(CNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1 ZINC000019934355 564304012 /nfs/dbraw/zinc/30/40/12/564304012.db2.gz AOCKIAWNCBQPKS-UHFFFAOYSA-N 0 0 382.869 3.040 40 0 GGABRN O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccccc1Cl ZINC000019930537 564304443 /nfs/dbraw/zinc/30/44/43/564304443.db2.gz NRQCKSOZNVMEGG-UHFFFAOYSA-N 0 0 378.881 3.352 40 0 GGABRN COC(=O)c1cc2cc(NS(=O)(=O)c3ccc(OC)cc3)ccc2s1 ZINC000020029879 564305073 /nfs/dbraw/zinc/30/50/73/564305073.db2.gz KHEBGTCQCKLRBR-UHFFFAOYSA-N 0 0 377.443 3.497 40 0 GGABRN Cn1c2ccc(NC(=O)CSCc3ccc(Cl)cc3)cc2n(C)c1=O ZINC000020241960 564305148 /nfs/dbraw/zinc/30/51/48/564305148.db2.gz QGEFADJOXJJYKJ-UHFFFAOYSA-N 0 0 375.881 3.402 40 0 GGABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCSC(C)(C)C ZINC000020061444 564305307 /nfs/dbraw/zinc/30/53/07/564305307.db2.gz HRJDJAGEKJYMKO-UHFFFAOYSA-N 0 0 384.567 3.041 40 0 GGABRN COc1ccc(C)cc1NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000020236906 564305356 /nfs/dbraw/zinc/30/53/56/564305356.db2.gz FGSVRNOLDXOTTC-UHFFFAOYSA-N 0 0 382.869 3.062 40 0 GGABRN CCOc1ccc(S(=O)(=O)NCc2ccc(OC)c(OC)c2)cc1Cl ZINC000020030018 564305559 /nfs/dbraw/zinc/30/55/59/564305559.db2.gz NNHGDQJXOMFOHL-UHFFFAOYSA-N 0 0 385.869 3.234 40 0 GGABRN Nc1cc(NC(=O)c2ccc(Br)cc2)ccc1N1CCOCC1 ZINC000020154058 564305668 /nfs/dbraw/zinc/30/56/68/564305668.db2.gz HFQVCVYRLICSOX-UHFFFAOYSA-N 0 0 376.254 3.120 40 0 GGABRN CN(Cc1ccc(/C=C/C(=O)Nc2ccc(F)c(Cl)c2)o1)S(C)(=O)=O ZINC000020449945 564306202 /nfs/dbraw/zinc/30/62/02/564306202.db2.gz BDHZCLGVHCOIMN-SOFGYWHQSA-N 0 0 386.832 3.115 40 0 GGABRN CSc1ccccc1NC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1 ZINC000020450046 564306261 /nfs/dbraw/zinc/30/62/61/564306261.db2.gz FBLNRWZDJBSMGY-ZHACJKMWSA-N 0 0 380.491 3.045 40 0 GGABRN CC(C)CC(=O)NC(=S)N=c1[nH]c2ccc(C(=O)OC(C)C)cc2s1 ZINC000020411896 564306284 /nfs/dbraw/zinc/30/62/84/564306284.db2.gz KNESDRHCXUYMBJ-UHFFFAOYSA-N 0 0 379.507 3.143 40 0 GGABRN COc1ccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 ZINC000020481366 564306332 /nfs/dbraw/zinc/30/63/32/564306332.db2.gz YVGVWHWUDOQDHR-NSHDSACASA-N 0 0 382.869 3.211 40 0 GGABRN CCSc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000020491888 564307017 /nfs/dbraw/zinc/30/70/17/564307017.db2.gz JZUVNWWLKZGNCW-UHFFFAOYSA-N 0 0 378.519 3.366 40 0 GGABRN CCCCC(=O)Nc1nnc(SCc2cc(=O)n3cc(C)sc3n2)s1 ZINC000020984387 564307438 /nfs/dbraw/zinc/30/74/38/564307438.db2.gz JAWSNWIYXHBLPQ-UHFFFAOYSA-N 0 0 395.535 3.337 40 0 GGABRN Cc1occc1-c1nnc(SCC(=O)N(C)Cc2ccc(Cl)s2)n1N ZINC000021097762 564308920 /nfs/dbraw/zinc/30/89/20/564308920.db2.gz DLTNWWSVUOOMAC-UHFFFAOYSA-N 0 0 397.913 3.026 40 0 GGABRN O=C(CNC(=O)c1cccc(Br)c1)Nc1cccc2cnccc21 ZINC000021218597 564310147 /nfs/dbraw/zinc/31/01/47/564310147.db2.gz ALUCBAZKWZZDGY-UHFFFAOYSA-N 0 0 384.233 3.366 40 0 GGABRN O=C(Cc1cccs1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000021331846 564310283 /nfs/dbraw/zinc/31/02/83/564310283.db2.gz AHCWCQMULWZVJN-UHFFFAOYSA-N 0 0 378.519 3.494 40 0 GGABRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)C(F)(F)F)CC1 ZINC000021578174 564311305 /nfs/dbraw/zinc/31/13/05/564311305.db2.gz WZHWPQPQOQAEFG-UHFFFAOYSA-N 0 0 377.794 3.290 40 0 GGABRN Cc1ccc2nsnc2c1NC(=S)NC(=O)c1ccc2nsnc2c1 ZINC000021595496 564311310 /nfs/dbraw/zinc/31/13/10/564311310.db2.gz HDGOGIQVGVWHAF-UHFFFAOYSA-N 0 0 386.487 3.131 40 0 GGABRN CCOC(=O)N1CCC(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)CC1 ZINC000021970605 564312850 /nfs/dbraw/zinc/31/28/50/564312850.db2.gz XTQHTUVRMHKLSM-UHFFFAOYSA-N 0 0 375.252 3.353 40 0 GGABRN O=C(CCC(=O)c1ccc(Cl)s1)Nc1ccc(N2CCOCC2)nc1 ZINC000022189757 564314891 /nfs/dbraw/zinc/31/48/91/564314891.db2.gz AEOPHKHOOPOQDO-UHFFFAOYSA-N 0 0 379.869 3.235 40 0 GGABRN Cc1c(Cl)cccc1N(CC(=O)N(C)Cc1ccccc1)S(C)(=O)=O ZINC000022273585 564315008 /nfs/dbraw/zinc/31/50/08/564315008.db2.gz NADGUJOMZUVWNV-UHFFFAOYSA-N 0 0 380.897 3.073 40 0 GGABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1cccc(SC)c1 ZINC000022251579 564315071 /nfs/dbraw/zinc/31/50/71/564315071.db2.gz DOPDXOOJBGAHOT-UHFFFAOYSA-N 0 0 380.491 3.065 40 0 GGABRN CCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000022278636 564315186 /nfs/dbraw/zinc/31/51/86/564315186.db2.gz NKLNVFIPGJCXAY-UHFFFAOYSA-N 0 0 387.288 3.325 40 0 GGABRN O=C(Nc1ccccc1Br)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000022403038 564316371 /nfs/dbraw/zinc/31/63/71/564316371.db2.gz BKCPANVPOSNNOU-HNNXBMFYSA-N 0 0 387.277 3.479 40 0 GGABRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000022539312 564316957 /nfs/dbraw/zinc/31/69/57/564316957.db2.gz HUEXAIHTFRJMER-VXGBXAGGSA-N 0 0 384.860 3.023 40 0 GGABRN CS(=O)(=O)Nc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1Cl ZINC000022524329 564317107 /nfs/dbraw/zinc/31/71/07/564317107.db2.gz OROVQNIVXGWAMP-UHFFFAOYSA-N 0 0 384.860 3.213 40 0 GGABRN O=C(NCCOc1ccc(F)cc1)c1ccc(I)cc1 ZINC000022479952 564317587 /nfs/dbraw/zinc/31/75/87/564317587.db2.gz SMTWJNVXJUAKOH-UHFFFAOYSA-N 0 0 385.176 3.239 40 0 GGABRN C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000022539315 564317641 /nfs/dbraw/zinc/31/76/41/564317641.db2.gz HUEXAIHTFRJMER-NEPJUHHUSA-N 0 0 384.860 3.023 40 0 GGABRN Cc1cc(C)cc(OCCNS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000022496257 564317722 /nfs/dbraw/zinc/31/77/22/564317722.db2.gz LULCYQZGTJMMRU-UHFFFAOYSA-N 0 0 384.295 3.423 40 0 GGABRN COC[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000022624326 564318492 /nfs/dbraw/zinc/31/84/92/564318492.db2.gz OPFQXHKSEKDLEG-XHDPSFHLSA-N 0 0 375.296 3.289 40 0 GGABRN O=C(NCc1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000022870322 564319704 /nfs/dbraw/zinc/31/97/04/564319704.db2.gz DBSJVGAFDSAIRB-ZDUSSCGKSA-N 0 0 391.240 3.258 40 0 GGABRN CC(C)(C)C(=O)NCCC(=O)/N=c1/sccn1Cc1ccccc1Cl ZINC000022847293 564319878 /nfs/dbraw/zinc/31/98/78/564319878.db2.gz ONXSKISZGOQUIV-HEHNFIMWSA-N 0 0 379.913 3.231 40 0 GGABRN Cc1cc(CN2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)no1 ZINC000022798910 564320159 /nfs/dbraw/zinc/32/01/59/564320159.db2.gz FFYYEGQKNQVPFW-UHFFFAOYSA-N 0 0 383.279 3.046 40 0 GGABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000022899401 564320382 /nfs/dbraw/zinc/32/03/82/564320382.db2.gz RFPKDVBSLVJHKN-JTQLQIEISA-N 0 0 383.231 3.264 40 0 GGABRN Nc1ccc(Br)cc1C(=O)OCc1nc(-c2ccsc2)no1 ZINC000022884575 564320432 /nfs/dbraw/zinc/32/04/32/564320432.db2.gz MUOAUHNZCVQGEK-UHFFFAOYSA-N 0 0 380.223 3.500 40 0 GGABRN NC(=O)c1cc(-c2csc(NC(=O)Cc3c(F)cccc3Cl)n2)c[nH]1 ZINC000022831796 564320464 /nfs/dbraw/zinc/32/04/64/564320464.db2.gz MFFHIKDBANZELQ-UHFFFAOYSA-N 0 0 378.816 3.211 40 0 GGABRN C[C@@H]1CN(C(=O)c2ccccc2NC(=O)[C@]2(C)CC2(Cl)Cl)C[C@H](C)O1 ZINC000022974152 564320649 /nfs/dbraw/zinc/32/06/49/564320649.db2.gz QKCIPJYJBVZQKB-JKDFXYPNSA-N 0 0 385.291 3.458 40 0 GGABRN C[C@@H]1CN(C(=O)c2ccccc2NC(=O)[C@]2(C)CC2(Cl)Cl)C[C@@H](C)O1 ZINC000022974150 564321048 /nfs/dbraw/zinc/32/10/48/564321048.db2.gz QKCIPJYJBVZQKB-QFSBIZTOSA-N 0 0 385.291 3.458 40 0 GGABRN C[C@@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000023191202 564323228 /nfs/dbraw/zinc/32/32/28/564323228.db2.gz WBZKORYOENROLK-LLVKDONJSA-N 0 0 376.247 3.389 40 0 GGABRN Cc1ccc(OC(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1 ZINC000023391636 564324212 /nfs/dbraw/zinc/32/42/12/564324212.db2.gz PYLJFXYTPPUCFK-UHFFFAOYSA-N 0 0 387.233 3.463 40 0 GGABRN O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](Sc2cccc[n+]2[O-])C1=O ZINC000023515438 564325405 /nfs/dbraw/zinc/32/54/05/564325405.db2.gz WCFSMNYBELJRTP-OAHLLOKOSA-N 0 0 376.865 3.287 40 0 GGABRN NC(=O)N[C@@H](CC(=O)N1CCc2ccccc21)c1cccc(Br)c1 ZINC000023708656 564326229 /nfs/dbraw/zinc/32/62/29/564326229.db2.gz PLKSJSLKLRYWBD-HNNXBMFYSA-N 0 0 388.265 3.138 40 0 GGABRN Cc1ccccc1CN(C)C(=O)CNC(=O)c1ccccc1Br ZINC000023599270 564326271 /nfs/dbraw/zinc/32/62/71/564326271.db2.gz MLAUACAMNVNJIE-UHFFFAOYSA-N 0 0 375.266 3.146 40 0 GGABRN Cc1noc(C)c1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000024013674 564327356 /nfs/dbraw/zinc/32/73/56/564327356.db2.gz CHHFSFGPOYSGSA-UHFFFAOYSA-N 0 0 384.299 3.073 40 0 GGABRN COC[C@@H](C)NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000024177166 564329571 /nfs/dbraw/zinc/32/95/71/564329571.db2.gz JMKJREHFMMNYNW-SNVBAGLBSA-N 0 0 379.810 3.121 40 0 GGABRN O=C(COc1ccc(Br)cc1)NCc1nc(-c2cccs2)no1 ZINC000024576999 564331919 /nfs/dbraw/zinc/33/19/19/564331919.db2.gz PQELUDHZIWZITR-UHFFFAOYSA-N 0 0 394.250 3.256 40 0 GGABRN CS(=O)(=O)Nc1cccc(C(=O)OCc2coc(-c3cccs3)n2)c1 ZINC000024853369 564333701 /nfs/dbraw/zinc/33/37/01/564333701.db2.gz OBKDNWQUYIRDQJ-UHFFFAOYSA-N 0 0 378.431 3.132 40 0 GGABRN CC(C)c1nnc(NC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)s1 ZINC000025323405 564337723 /nfs/dbraw/zinc/33/77/23/564337723.db2.gz UVXRHIDXVFRAQJ-UHFFFAOYSA-N 0 0 399.259 3.203 40 0 GGABRN C[C@@H](CNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1 ZINC000025450842 564338669 /nfs/dbraw/zinc/33/86/69/564338669.db2.gz YNTHWPJBFSZLOE-AWEZNQCLSA-N 0 0 380.897 3.026 40 0 GGABRN CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000025524898 564339613 /nfs/dbraw/zinc/33/96/13/564339613.db2.gz ZCAUHMHMXCMPIU-CYBMUJFWSA-N 0 0 384.910 3.218 40 0 GGABRN O=S(=O)(Oc1cccc(I)c1)c1cccc(F)c1 ZINC000025651711 564340535 /nfs/dbraw/zinc/34/05/35/564340535.db2.gz PWYSDETZPYUILD-UHFFFAOYSA-N 0 0 378.162 3.198 40 0 GGABRN CCOC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000026110969 564343621 /nfs/dbraw/zinc/34/36/21/564343621.db2.gz NRROTSZZJKNRBQ-UHFFFAOYSA-N 0 0 380.293 3.098 40 0 GGABRN CSc1ccc(S(=O)(=O)NCC(C)C)cc1C(=O)N1CCCCCC1 ZINC000026119483 564344421 /nfs/dbraw/zinc/34/44/21/564344421.db2.gz CACMGEPOHTZRQS-UHFFFAOYSA-N 0 0 384.567 3.359 40 0 GGABRN Cc1ccsc1C(=O)Nc1cc(C(C)(C)C)nn1[C@H]1CCS(=O)(=O)C1 ZINC000026492564 564347138 /nfs/dbraw/zinc/34/71/38/564347138.db2.gz SQQFAGSWKDICAF-LBPRGKRZSA-N 0 0 381.523 3.162 40 0 GGABRN Cc1ccsc1C(=O)Nc1cc(C(C)(C)C)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000026492560 564347147 /nfs/dbraw/zinc/34/71/47/564347147.db2.gz SQQFAGSWKDICAF-GFCCVEGCSA-N 0 0 381.523 3.162 40 0 GGABRN COCc1cccc(NS(=O)(=O)c2ccc(OC)c(Br)c2)c1 ZINC000026547421 564348110 /nfs/dbraw/zinc/34/81/10/564348110.db2.gz DKOUZCVPADOHML-UHFFFAOYSA-N 0 0 386.267 3.405 40 0 GGABRN COc1ccc(Br)cc1S(=O)(=O)NCCSC1CCCC1 ZINC000026978739 564351661 /nfs/dbraw/zinc/35/16/61/564351661.db2.gz SQRUGBJHNVVZNM-UHFFFAOYSA-N 0 0 394.356 3.412 40 0 GGABRN COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCSC2CCCC2)c1 ZINC000026978514 564351732 /nfs/dbraw/zinc/35/17/32/564351732.db2.gz QKAKMGANKGELHT-UHFFFAOYSA-N 0 0 377.915 3.081 40 0 GGABRN CNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(F)cc3)ccc2s1 ZINC000028209016 564360396 /nfs/dbraw/zinc/36/03/96/564360396.db2.gz KQLYMHVEUZZHNG-UHFFFAOYSA-N 0 0 378.450 3.225 40 0 GGABRN Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl ZINC000028208358 564360812 /nfs/dbraw/zinc/36/08/12/564360812.db2.gz ZDRNYRLCORFTBT-UHFFFAOYSA-N 0 0 380.897 3.470 40 0 GGABRN Cc1ccc(CN(C)C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000030755464 564383997 /nfs/dbraw/zinc/38/39/97/564383997.db2.gz MJPJYMBHXCEGOY-UHFFFAOYSA-N 0 0 380.897 3.073 40 0 GGABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1Cl ZINC000030750813 564384516 /nfs/dbraw/zinc/38/45/16/564384516.db2.gz LAALZKBVKAQZLD-LLVKDONJSA-N 0 0 385.869 3.405 40 0 GGABRN CS(=O)(=O)Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(Cl)c1 ZINC000030849550 564385229 /nfs/dbraw/zinc/38/52/29/564385229.db2.gz JBEVJCYCDGYSEV-UHFFFAOYSA-N 0 0 382.913 3.410 40 0 GGABRN Cc1ccc(CCCNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 ZINC000030851344 564385660 /nfs/dbraw/zinc/38/56/60/564385660.db2.gz AYDVTWSPGCKLLG-UHFFFAOYSA-N 0 0 380.897 3.383 40 0 GGABRN COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1N1CCCC1=O ZINC000030853090 564385668 /nfs/dbraw/zinc/38/56/68/564385668.db2.gz FUNUROCGNSIRBD-UHFFFAOYSA-N 0 0 380.853 3.276 40 0 GGABRN CCOc1ncccc1CNC(=O)c1cc(OC)c(Br)c(OC)c1 ZINC000031324613 564388218 /nfs/dbraw/zinc/38/82/18/564388218.db2.gz BZXPUWHQYOLWRM-UHFFFAOYSA-N 0 0 395.253 3.190 40 0 GGABRN COC(=O)c1cccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)c1 ZINC000032445039 564400538 /nfs/dbraw/zinc/40/05/38/564400538.db2.gz LANLLLMPBIOOEG-UHFFFAOYSA-N 0 0 399.921 3.338 40 0 GGABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccccc1F)N2c1ccccc1 ZINC000032641121 564403048 /nfs/dbraw/zinc/40/30/48/564403048.db2.gz RDVLFQSBASTMGH-SJORKVTESA-N 0 0 376.478 3.101 40 0 GGABRN O=S1(=O)C[C@@H]2N=C(SCc3cccc(F)c3)N(c3ccccc3)[C@@H]2C1 ZINC000032639844 564403171 /nfs/dbraw/zinc/40/31/71/564403171.db2.gz WLASBISQQBIGIZ-DLBZAZTESA-N 0 0 376.478 3.101 40 0 GGABRN O=S1(=O)C[C@H]2N=C(SCc3cccc(F)c3)N(c3ccccc3)[C@@H]2C1 ZINC000032639843 564403793 /nfs/dbraw/zinc/40/37/93/564403793.db2.gz WLASBISQQBIGIZ-IAGOWNOFSA-N 0 0 376.478 3.101 40 0 GGABRN CC(C)CN(C(=O)c1cc(Cl)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000032666202 564404396 /nfs/dbraw/zinc/40/43/96/564404396.db2.gz LEHBPBGRLLBWPJ-ZDUSSCGKSA-N 0 0 380.897 3.174 40 0 GGABRN Cc1ccc(OCC(=O)Nc2cccc(Br)c2)c(-n2cnnc2)c1 ZINC000032646636 564404697 /nfs/dbraw/zinc/40/46/97/564404697.db2.gz GAWGPEOWUCNXJC-UHFFFAOYSA-N 0 0 387.237 3.356 40 0 GGABRN COc1cc([C@@H]2NC(=S)N=C(C)C2C(=O)OC(C)C)cc(Cl)c1OC ZINC000032813643 564406397 /nfs/dbraw/zinc/40/63/97/564406397.db2.gz WHKNFVRSQZKTRK-AWEZNQCLSA-N 0 0 384.885 3.102 40 0 GGABRN C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(Cl)ccc1N1CCCC1)CS2 ZINC000032970845 564408687 /nfs/dbraw/zinc/40/86/87/564408687.db2.gz YATSGFGXJSTBFG-CRAIPNDOSA-N 0 0 379.913 3.333 40 0 GGABRN O=C(CSCc1cc(=O)n2cc(Cl)ccc2n1)Nc1ccc(F)cc1 ZINC000033026803 564409452 /nfs/dbraw/zinc/40/94/52/564409452.db2.gz KABOSVUFLDPABE-UHFFFAOYSA-N 0 0 377.828 3.359 40 0 GGABRN COC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000033915606 564414044 /nfs/dbraw/zinc/41/40/44/564414044.db2.gz IHHJEMRNSZVVAX-UHFFFAOYSA-N 0 0 384.251 3.061 40 0 GGABRN O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccccc1F ZINC000035327356 564414981 /nfs/dbraw/zinc/41/49/81/564414981.db2.gz IFTCPTTYFDPARU-UHFFFAOYSA-N 0 0 377.224 3.050 40 0 GGABRN O=C1Nc2c3c1cccc3c(S(=O)(=O)N1CCCCC1)cc2Br ZINC000035686190 564416169 /nfs/dbraw/zinc/41/61/69/564416169.db2.gz VKRKDYBQLJLFOV-UHFFFAOYSA-N 0 0 395.278 3.343 40 0 GGABRN COc1ccc(C)cc1C(=O)Cn1nc(N)n(Nc2cccs2)c1=S ZINC000036625651 564417159 /nfs/dbraw/zinc/41/71/59/564417159.db2.gz YIHQHANRFDRGFF-UHFFFAOYSA-N 0 0 375.479 3.133 40 0 GGABRN COc1ccc(Cl)cc1C(=O)Cn1nc(N)n(Nc2ccco2)c1=S ZINC000036625677 564417805 /nfs/dbraw/zinc/41/78/05/564417805.db2.gz YYDSWWXMQZNFHW-UHFFFAOYSA-N 0 0 379.829 3.009 40 0 GGABRN CN(C)[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000038629176 564423217 /nfs/dbraw/zinc/42/32/17/564423217.db2.gz ABHBPHQGBFVIJA-CYBMUJFWSA-N 0 0 378.441 3.348 40 0 GGABRN C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000040073675 564425298 /nfs/dbraw/zinc/42/52/98/564425298.db2.gz ZKJOTYHMOJUVIA-MWLCHTKSSA-N 0 0 393.203 3.037 40 0 GGABRN CN1CCc2nc(NC(=O)Cc3csc(-c4ccsc4)n3)sc2C1 ZINC000039984283 564425486 /nfs/dbraw/zinc/42/54/86/564425486.db2.gz RFQUVPLXOPOSAT-UHFFFAOYSA-N 0 0 376.532 3.497 40 0 GGABRN CC(C)(C)n1nnnc1SCCC(=O)Nc1ccc(Br)cc1 ZINC000040127775 564426261 /nfs/dbraw/zinc/42/62/61/564426261.db2.gz RXGNNGUMCJHOGS-UHFFFAOYSA-N 0 0 384.303 3.312 40 0 GGABRN C[C@@H](NC(=O)c1ccc(Br)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000040090013 564426483 /nfs/dbraw/zinc/42/64/83/564426483.db2.gz PBHUEASVDRKSPA-LLVKDONJSA-N 0 0 397.294 3.312 40 0 GGABRN CC1CCN(C(=O)Cc2ccc(-c3nn4cnnc4s3)cc2Cl)CC1 ZINC000041126926 564429253 /nfs/dbraw/zinc/42/92/53/564429253.db2.gz VBNABTFLKNTMTM-UHFFFAOYSA-N 0 0 375.885 3.307 40 0 GGABRN Cc1noc(C)c1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000045370230 564483084 /nfs/dbraw/zinc/48/30/84/564483084.db2.gz DBNIVTGJTJBTHH-UHFFFAOYSA-N 0 0 380.242 3.143 40 0 GGABRN Cc1cc(S(N)(=O)=O)cc(NC(=O)Cc2c(Cl)cccc2Cl)c1C ZINC000047740761 564525716 /nfs/dbraw/zinc/52/57/16/564525716.db2.gz MPULQPCGYMZNPX-UHFFFAOYSA-N 0 0 387.288 3.439 40 0 GGABRN CN(Cc1cc(Br)cs1)C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000048069620 564530954 /nfs/dbraw/zinc/53/09/54/564530954.db2.gz DCSZLCXCMULPDC-UHFFFAOYSA-N 0 0 388.308 3.186 40 0 GGABRN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCc1ccc(F)cc1 ZINC000048180256 564532953 /nfs/dbraw/zinc/53/29/53/564532953.db2.gz PJLHHHUOJLAELQ-VIFPVBQESA-N 0 0 385.258 3.084 40 0 GGABRN Cc1cccc(NC(=O)CCNC(=O)c2cc(F)ccc2Br)n1 ZINC000048227559 564534594 /nfs/dbraw/zinc/53/45/94/564534594.db2.gz PTHAVKVHYBKUHD-UHFFFAOYSA-N 0 0 380.217 3.050 40 0 GGABRN O=C(CCNC(=O)c1cc(F)ccc1Br)Nc1ccccc1O ZINC000048345508 564537160 /nfs/dbraw/zinc/53/71/60/564537160.db2.gz CBHLOVZGODCDJI-UHFFFAOYSA-N 0 0 381.201 3.052 40 0 GGABRN Cc1ccccc1[C@@H]1CCCN1C(=O)CCNS(=O)(=O)c1cccs1 ZINC000048367562 564537292 /nfs/dbraw/zinc/53/72/92/564537292.db2.gz KWSPNXLGDSMUSO-INIZCTEOSA-N 0 0 378.519 3.089 40 0 GGABRN CCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000048383153 564538239 /nfs/dbraw/zinc/53/82/39/564538239.db2.gz IAYYAYMWCQHTBB-UHFFFAOYSA-N 0 0 383.267 3.463 40 0 GGABRN CC(C)n1nccc1NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000050904319 564560938 /nfs/dbraw/zinc/56/09/38/564560938.db2.gz AOCFGWJGPOZZMP-VIFPVBQESA-N 0 0 385.287 3.045 40 0 GGABRN O=S(=O)(c1ccc(NC[C@@H](O)c2ccc(F)c(F)c2)cc1)C(F)(F)F ZINC000051961502 564566896 /nfs/dbraw/zinc/56/68/96/564566896.db2.gz NNYUAJKWSMXOLC-CQSZACIVSA-N 0 0 381.322 3.404 40 0 GGABRN Cc1ccc2[nH]c(=NC(=S)NC(=O)c3ccc4nsnc4c3)sc2c1 ZINC000057315940 564665169 /nfs/dbraw/zinc/66/51/69/564665169.db2.gz MMLZOPCEOKNNEM-UHFFFAOYSA-N 0 0 385.499 3.158 40 0 GGABRN Nc1cccc(Cl)c1N1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000057332128 564665965 /nfs/dbraw/zinc/66/59/65/564665965.db2.gz AEKDMNLWIIBJFX-UHFFFAOYSA-N 0 0 395.688 3.042 40 0 GGABRN CCN(CC)C(=O)c1nnc2sc(-c3ccc(Br)cc3)nn21 ZINC000057354699 564665972 /nfs/dbraw/zinc/66/59/72/564665972.db2.gz BROMRRWNDZAOEI-UHFFFAOYSA-N 0 0 380.271 3.097 40 0 GGABRN O=C(c1nnc2sc(-c3cccc(Br)c3)nn21)N1CCCCC1 ZINC000057354634 564666308 /nfs/dbraw/zinc/66/63/08/564666308.db2.gz IGUBXVGKMPLFJQ-UHFFFAOYSA-N 0 0 392.282 3.241 40 0 GGABRN CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCSc3ccccc32)c1 ZINC000057394726 564666903 /nfs/dbraw/zinc/66/69/03/564666903.db2.gz VTJQVCVPDLHFSR-UHFFFAOYSA-N 0 0 376.503 3.126 40 0 GGABRN CCN(Cc1ccc(Br)s1)C(=O)c1ccccc1-n1cnnn1 ZINC000057624793 564670445 /nfs/dbraw/zinc/67/04/45/564670445.db2.gz JBBOUYCJXKHLFX-UHFFFAOYSA-N 0 0 392.282 3.149 40 0 GGABRN C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(Br)s1 ZINC000058135610 564679330 /nfs/dbraw/zinc/67/93/30/564679330.db2.gz XLLRJPLGAXKQHM-SNVBAGLBSA-N 0 0 376.297 3.087 40 0 GGABRN CC(=O)NCCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000135642912 564837568 /nfs/dbraw/zinc/83/75/68/564837568.db2.gz GFOCKWQVXLDOMH-UHFFFAOYSA-N 0 0 387.288 3.473 40 0 GGABRN C[C@@H]1CN(C(=O)c2cc(Br)c(C=O)n2C)C[C@@H](c2ccccc2)O1 ZINC000072289533 564861786 /nfs/dbraw/zinc/86/17/86/564861786.db2.gz TUNHGYLBCYZMHG-PXAZEXFGSA-N 0 0 391.265 3.202 40 0 GGABRN C[C@@H]1CN(C(=O)c2cc(Br)c(C=O)n2C)C[C@H](c2ccccc2)O1 ZINC000072289531 564862195 /nfs/dbraw/zinc/86/21/95/564862195.db2.gz TUNHGYLBCYZMHG-SJKOYZFVSA-N 0 0 391.265 3.202 40 0 GGABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1 ZINC000144930486 564878545 /nfs/dbraw/zinc/87/85/45/564878545.db2.gz VVHBHPQJPHHDBD-UHFFFAOYSA-N 0 0 378.519 3.285 40 0 GGABRN COc1cc(C=O)ccc1OCc1nnnn1-c1ccc(Cl)c(Cl)c1 ZINC000095533211 564899877 /nfs/dbraw/zinc/89/98/77/564899877.db2.gz OECYMMMPNLDPDZ-UHFFFAOYSA-N 0 0 379.203 3.369 40 0 GGABRN N[C@H](c1n[nH]c(-c2ccc(I)cc2)n1)c1ccc(F)cc1 ZINC000095533299 564899923 /nfs/dbraw/zinc/89/99/23/564899923.db2.gz UCQOPDHCHMICHW-ZDUSSCGKSA-N 0 0 394.191 3.264 40 0 GGABRN Cc1ccc2cc(I)n(S(=O)(=O)c3ccccc3)c2n1 ZINC000095919969 564899977 /nfs/dbraw/zinc/89/99/77/564899977.db2.gz MBRWVGCGQGNVEX-UHFFFAOYSA-N 0 0 398.225 3.186 40 0 GGABRN CCOc1cc([C@H](N)c2nc(-c3ccc(Br)o3)n[nH]2)ccc1OC ZINC000095534468 564900043 /nfs/dbraw/zinc/90/00/43/564900043.db2.gz NTSCYUOCEPDHJR-AWEZNQCLSA-N 0 0 393.241 3.283 40 0 GGABRN CCOc1ccc([C@H](N)c2nc(-c3ccc(Br)o3)n[nH]2)cc1OC ZINC000095534324 564900219 /nfs/dbraw/zinc/90/02/19/564900219.db2.gz RRYURFCJSUYTTJ-AWEZNQCLSA-N 0 0 393.241 3.283 40 0 GGABRN Cc1nc(CN2CCC3(C[C@@H](NC(=O)c4cccs4)CO3)CC2)cs1 ZINC000096221233 564901089 /nfs/dbraw/zinc/90/10/89/564901089.db2.gz QOEPNHOOLCNMCW-CQSZACIVSA-N 0 0 377.535 3.067 40 0 GGABRN Cc1ccsc1CCC(=O)N1CCC(S(=O)(=O)Cc2ccco2)CC1 ZINC000096374923 564901226 /nfs/dbraw/zinc/90/12/26/564901226.db2.gz KTLBPUWHRCVOBA-UHFFFAOYSA-N 0 0 381.519 3.188 40 0 GGABRN CCS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1ccc(Br)cc1 ZINC000096521340 564901990 /nfs/dbraw/zinc/90/19/90/564901990.db2.gz CVSYNDVACHBJIF-WDEREUQCSA-N 0 0 386.105 3.028 40 0 GGABRN CCS(=O)(=O)C(Br)(Br)C(=O)c1ccc(C)cc1 ZINC000096518489 564902135 /nfs/dbraw/zinc/90/21/35/564902135.db2.gz ZPXHXBBODPGPMP-UHFFFAOYSA-N 0 0 384.089 3.056 40 0 GGABRN CCS(=O)(=O)c1sc2n[nH]c(N)c2c1-c1ccc(Br)cc1 ZINC000096532177 564902139 /nfs/dbraw/zinc/90/21/39/564902139.db2.gz WKCHGKHGBRVPHR-UHFFFAOYSA-N 0 0 386.296 3.430 40 0 GGABRN CC[C@](Br)([C@H](O)c1ccc(Br)cc1)S(C)(=O)=O ZINC000096521463 564902194 /nfs/dbraw/zinc/90/21/94/564902194.db2.gz GNZIAVNXESIORQ-GHMZBOCLSA-N 0 0 386.105 3.028 40 0 GGABRN CCOC(=O)[C@H]1C(=O)OC(C)(C)[C@@H]1[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000101584146 564918433 /nfs/dbraw/zinc/91/84/33/564918433.db2.gz YQLFBVSFZZFICV-LEWSCRJBSA-N 0 0 397.265 3.399 40 0 GGABRN CC(C)[C@@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000102776301 564935171 /nfs/dbraw/zinc/93/51/71/564935171.db2.gz UDSUJMVHYQTZCY-CQSZACIVSA-N 0 0 386.945 3.043 40 0 GGABRN Oc1c2c(c(O)n1-c1ccc(Br)cc1)Sc1ccccc1N2 ZINC000102961083 564940514 /nfs/dbraw/zinc/94/05/14/564940514.db2.gz MPNQWYALZXAZIW-KBPBESRZSA-N 0 0 375.247 3.277 40 0 GGABRN CN(C)c1n/c(=N/c2ccc(/N=c3/nc(N(C)C)ss3)cc2)ss1 ZINC000104276907 564953971 /nfs/dbraw/zinc/95/39/71/564953971.db2.gz ZOHJFSNLTSEYCT-NFLUSIDLSA-N 0 0 396.592 3.319 40 0 GGABRN CCOC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000113884919 565071332 /nfs/dbraw/zinc/07/13/32/565071332.db2.gz LGQVSNFGGBIRHH-UHFFFAOYSA-N 0 0 389.807 3.377 40 0 GGABRN COC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000113873181 565071366 /nfs/dbraw/zinc/07/13/66/565071366.db2.gz UDHXBFPRTVBTMK-UHFFFAOYSA-N 0 0 398.278 3.126 40 0 GGABRN C[C@H](C(=O)NCCSC(C)(C)C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000113941114 565071528 /nfs/dbraw/zinc/07/15/28/565071528.db2.gz TWHHHOUVNCTPDM-GFCCVEGCSA-N 0 0 392.974 3.142 40 0 GGABRN CSc1ccccc1NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O ZINC000113968535 565071637 /nfs/dbraw/zinc/07/16/37/565071637.db2.gz FQHPIOWZRPSFEI-GFCCVEGCSA-N 0 0 382.482 3.341 40 0 GGABRN Cc1ccc(Cl)cc1S(=O)(=O)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000190381994 565527454 /nfs/dbraw/zinc/52/74/54/565527454.db2.gz ZOKKYMCMJVJBSG-MRXNPFEDSA-N 0 0 397.905 3.154 40 0 GGABRN O=C(c1ccc(Br)o1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390830882 565558695 /nfs/dbraw/zinc/55/86/95/565558695.db2.gz OBLWWPGXRQOJNA-CQSZACIVSA-N 0 0 398.278 3.044 40 0 GGABRN CC(C)[C@H]1COC(c2cc(Br)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1 ZINC000390822416 565559071 /nfs/dbraw/zinc/55/90/71/565559071.db2.gz UZZFMJXCTBUSMU-HUUCEWRRSA-N 0 0 380.286 3.447 40 0 GGABRN O=C(c1ccc(Br)o1)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390830881 565559104 /nfs/dbraw/zinc/55/91/04/565559104.db2.gz OBLWWPGXRQOJNA-AWEZNQCLSA-N 0 0 398.278 3.044 40 0 GGABRN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2Br)ccc1C ZINC000174045194 565609574 /nfs/dbraw/zinc/60/95/74/565609574.db2.gz FVNKZSAFAPEJCI-UHFFFAOYSA-N 0 0 384.251 3.345 40 0 GGABRN CS(=O)(=O)N(CC(=O)NC1CCCCCCC1)c1ccc(F)c(Cl)c1 ZINC000408629733 565614613 /nfs/dbraw/zinc/61/46/13/565614613.db2.gz HBGFIKHUUCSKQN-UHFFFAOYSA-N 0 0 390.908 3.474 40 0 GGABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(Br)cn1 ZINC000408625369 565614733 /nfs/dbraw/zinc/61/47/33/565614733.db2.gz 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O=S(=O)(c1ccccc1)N1C[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000096080473 570210020 /nfs/dbraw/zinc/21/00/20/570210020.db2.gz SEVGPOIDTPYZCU-MAUKXSAKSA-N 0 0 396.434 3.210 40 0 GGABRN COc1cccc(N2C[C@@]3(CCN(C(=O)Nc4ccc(F)cc4)C3)CC2=O)c1 ZINC000096077484 570210085 /nfs/dbraw/zinc/21/00/85/570210085.db2.gz TWORUKNLFICWTG-NRFANRHFSA-N 0 0 383.423 3.495 40 0 GGABRN COc1ccc([C@H](NC(=O)c2sc3[nH]c(C)nc(=O)c3c2C)C2CC2)cc1 ZINC000019718942 570210215 /nfs/dbraw/zinc/21/02/15/570210215.db2.gz NKYBMWFJQCJWBK-MRXNPFEDSA-N 0 0 383.473 3.491 40 0 GGABRN CCn1ncc(-c2cc(C(=O)N(C)Cc3ccc4c(c3)C[C@H](C)O4)on2)c1C ZINC000019719088 570210250 /nfs/dbraw/zinc/21/02/50/570210250.db2.gz NZUWJSVTEQGZOZ-ZDUSSCGKSA-N 0 0 380.448 3.462 40 0 GGABRN Cc1ccc2nc(-c3ccccn3)cc(C(=O)N[C@H](C)CN3CCOCC3)c2c1 ZINC000019719135 570210289 /nfs/dbraw/zinc/21/02/89/570210289.db2.gz ZZIKMEGXZJBFJA-QGZVFWFLSA-N 0 0 390.487 3.056 40 0 GGABRN O=C(Nc1ccc2c(c1)C1(CN2Cc2ccco2)CCOCC1)c1c[nH]cn1 ZINC000096090526 570210475 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CCCN(CCOC)C(=O)[C@@H]1C[C@]2(CO1)CN(CCC(C)C)c1ccccc12 ZINC000096143979 570213484 /nfs/dbraw/zinc/21/34/84/570213484.db2.gz AZLUQGPKPWJKIB-JTHBVZDNSA-N 0 0 388.552 3.464 40 0 GGABRN Cc1ccc(O[C@@H](C)C(=O)Nc2cnn(CC(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000019746081 570213719 /nfs/dbraw/zinc/21/37/19/570213719.db2.gz NFCUBSRIFODDSJ-HNNXBMFYSA-N 0 0 396.422 3.375 40 0 GGABRN CCc1noc(C)c1C(=O)N1CC[C@H](C(=O)NCCc2ccc(Cl)cc2)C1 ZINC000019747895 570214293 /nfs/dbraw/zinc/21/42/93/570214293.db2.gz DOPQMVDTGDIVCS-HNNXBMFYSA-N 0 0 389.883 3.020 40 0 GGABRN CCc1cc(CNC(=O)CC2CCN(C(=O)CC3CCCCC3)CC2)on1 ZINC000019748879 570214718 /nfs/dbraw/zinc/21/47/18/570214718.db2.gz XDSUJVRIQLOFIB-UHFFFAOYSA-N 0 0 375.513 3.452 40 0 GGABRN Cc1noc(C)c1C(=O)N1CCC[C@H](N(C)C(=O)Cc2ccccc2F)CC1 ZINC000019749657 570215092 /nfs/dbraw/zinc/21/50/92/570215092.db2.gz ZWGDXSMRHZVVJT-KRWDZBQOSA-N 0 0 387.455 3.126 40 0 GGABRN COC(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)c2nccc3ccccc32)CC1 ZINC000019749799 570215116 /nfs/dbraw/zinc/21/51/16/570215116.db2.gz FBHQJTVMIADAEG-QGZVFWFLSA-N 0 0 383.492 3.113 40 0 GGABRN Cc1nc(C)c(C(=O)N2CCC[C@H](N(C)C(=O)Cc3ccccc3F)CC2)o1 ZINC000019749694 570215152 /nfs/dbraw/zinc/21/51/52/570215152.db2.gz VSYMCSNSQURBCP-KRWDZBQOSA-N 0 0 387.455 3.126 40 0 GGABRN O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1ccco1 ZINC000000666005 570215528 /nfs/dbraw/zinc/21/55/28/570215528.db2.gz IFWFCWFLKNJJHR-UHFFFAOYSA-N 0 0 398.484 3.007 40 0 GGABRN CNC(=O)c1cc([C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)nc2ccccc21 ZINC000019754677 570216311 /nfs/dbraw/zinc/21/63/11/570216311.db2.gz VCLWSJOCQHACGD-INIZCTEOSA-N 0 0 391.446 3.292 40 0 GGABRN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC(C(=O)c2ccccc2)CC1 ZINC000012795573 570217421 /nfs/dbraw/zinc/21/74/21/570217421.db2.gz MRINXMWZIVZGLO-INIZCTEOSA-N 0 0 394.471 3.380 40 0 GGABRN CCOC(=O)/C=C/c1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)cc1 ZINC000048065990 570218146 /nfs/dbraw/zinc/21/81/46/570218146.db2.gz GGOYGKWOFVLHHB-JXMROGBWSA-N 0 0 394.475 3.008 40 0 GGABRN Cc1cc(NC(=O)C2=C(C)N(C3CC3)C(=S)N[C@@H]2c2cccc(C#N)c2)no1 ZINC000011555339 570219647 /nfs/dbraw/zinc/21/96/47/570219647.db2.gz VWJXVOFKWZGXFI-GOSISDBHSA-N 0 0 393.472 3.161 40 0 GGABRN C[C@H](CNC(=O)C1=NO[C@@]2(CCN(Cc3ccc(F)cc3)C2)C1)c1ccccc1 ZINC000096225727 570220372 /nfs/dbraw/zinc/22/03/72/570220372.db2.gz SSUPLQIVQZNEJH-HXOBKFHXSA-N 0 0 395.478 3.466 40 0 GGABRN C[C@H](CNC(=O)C1=NO[C@]2(CCN(C(=O)c3ccsc3)C2)C1)c1ccccc1 ZINC000096225739 570220471 /nfs/dbraw/zinc/22/04/71/570220471.db2.gz KEQJPTMUBOXPKX-QVKFZJNVSA-N 0 0 397.500 3.029 40 0 GGABRN COc1ccc2oc(C(=O)O[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)c(C)c2c1 ZINC000004319165 570220542 /nfs/dbraw/zinc/22/05/42/570220542.db2.gz YRXBZBQHMWOQFD-LBPRGKRZSA-N 0 0 396.399 3.033 40 0 GGABRN CCc1cccc(NC(=O)N2CC[C@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)c1 ZINC000096227044 570220882 /nfs/dbraw/zinc/22/08/82/570220882.db2.gz ZWKVBHJHLJZSJY-KNQAVFIVSA-N 0 0 378.476 3.204 40 0 GGABRN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@]12CCN(C(=O)Nc1cccc(F)c1)C2 ZINC000096227430 570220905 /nfs/dbraw/zinc/22/09/05/570220905.db2.gz AXZQZMLARCSMJS-RXVVDRJESA-N 0 0 382.439 3.123 40 0 GGABRN Cc1ccc(C(=O)N2CC[C@]3(C[C@H]3C(=O)N(C)Cc3ccccn3)C2)cc1C ZINC000096227376 570220928 /nfs/dbraw/zinc/22/09/28/570220928.db2.gz GOXACWCNZHTNKP-REWPJTCUSA-N 0 0 377.488 3.209 40 0 GGABRN O=C(NCc1ccncc1)[C@@H]1C[C@@]12CCN(C(=O)Nc1ccc(Cl)cc1)C2 ZINC000096227489 570220943 /nfs/dbraw/zinc/22/09/43/570220943.db2.gz LHSDXDJBPRUSCJ-FXAWDEMLSA-N 0 0 384.867 3.295 40 0 GGABRN CCc1ccc(NC(=O)N2CC[C@]3(C[C@@H]3C(=O)NCc3ccncc3)C2)cc1 ZINC000096227556 570221270 /nfs/dbraw/zinc/22/12/70/570221270.db2.gz SPUMXRZYBOIPBL-KNQAVFIVSA-N 0 0 378.476 3.204 40 0 GGABRN O=C(Nc1ccc2c(c1)OCO2)[C@H]1C[C@]12CCN(C(=O)Nc1ccc(F)cc1)C2 ZINC000096227752 570221437 /nfs/dbraw/zinc/22/14/37/570221437.db2.gz CEBZMAWZDOITAV-IERDGZPVSA-N 0 0 397.406 3.437 40 0 GGABRN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@@]12CCN(C(=O)NC1CCCCC1)C2 ZINC000096227786 570221460 /nfs/dbraw/zinc/22/14/60/570221460.db2.gz YWKVAJXJSLAFFL-HRAATJIYSA-N 0 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ZINC000019819026 570221934 /nfs/dbraw/zinc/22/19/34/570221934.db2.gz ZWIHIZIKIHIXEW-SFHVURJKSA-N 0 0 394.427 3.134 40 0 GGABRN COc1cccc(N2C[C@]3(CCN(C(=O)NCc4cccc(F)c4)C3)CC2=O)c1 ZINC000096238934 570222029 /nfs/dbraw/zinc/22/20/29/570222029.db2.gz MYFRLROWKRSHDK-JOCHJYFZSA-N 0 0 397.450 3.173 40 0 GGABRN Cc1ccc(S(=O)(=O)N2CC[C@]3(CC(=O)N(c4ccccc4C)C3)C2)cc1 ZINC000096238623 570222112 /nfs/dbraw/zinc/22/21/12/570222112.db2.gz NHIGFGMTFPYLIK-NRFANRHFSA-N 0 0 384.501 3.121 40 0 GGABRN COc1ccc(CC(=O)N2CC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)cc1 ZINC000096238753 570222159 /nfs/dbraw/zinc/22/21/59/570222159.db2.gz MQNXWHDUJSHIPS-QFIPXVFZSA-N 0 0 382.435 3.032 40 0 GGABRN O=C(Nc1ccc(Cl)cc1)N1C[C@@H](C(=O)N2CCCC2)C2(C1)CCOCC2 ZINC000096240888 570222302 /nfs/dbraw/zinc/22/23/02/570222302.db2.gz XKABCILRNFXSAQ-KRWDZBQOSA-N 0 0 391.899 3.223 40 0 GGABRN O=C([C@H]1CCCO1)N1CCC2(CC1)c1ccccc1N(c1ccccc1)C2=O ZINC000096241411 570222329 /nfs/dbraw/zinc/22/23/29/570222329.db2.gz FGAHJNUYJASYDZ-HXUWFJFHSA-N 0 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CC[C@@H]1c2ccsc2CCN1C(=O)CNC(=O)c1ccc(OC)c(OC)c1 ZINC000012925459 570296524 /nfs/dbraw/zinc/29/65/24/570296524.db2.gz ICHRRPNTJCQHDE-OAHLLOKOSA-N 0 0 388.489 3.031 40 0 GGABRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000001289986 570297000 /nfs/dbraw/zinc/29/70/00/570297000.db2.gz HJHLQSGGZRBFQA-CQSZACIVSA-N 0 0 386.835 3.183 40 0 GGABRN CCOc1ccc(C(=O)NCC(=O)N[C@@H](C)CCc2ccccc2)cc1OCC ZINC000015940976 570298134 /nfs/dbraw/zinc/29/81/34/570298134.db2.gz IIYHCLIHNMESCA-KRWDZBQOSA-N 0 0 398.503 3.351 40 0 GGABRN COC(=O)c1ccc(CS(=O)(=O)NCCSCc2ccccc2C)cc1 ZINC000216285360 570298290 /nfs/dbraw/zinc/29/82/90/570298290.db2.gz DGFFOWQSPCMFCZ-UHFFFAOYSA-N 0 0 393.530 3.134 40 0 GGABRN O=C(CNc1ccccc1C(=O)NCc1ccco1)NCCc1ccc(F)cc1 ZINC000021891520 570298399 /nfs/dbraw/zinc/29/83/99/570298399.db2.gz ZPIBWHRWRBJPPV-UHFFFAOYSA-N 0 0 395.434 3.120 40 0 GGABRN COc1ccc([C@@H](Cc2ccccc2)NC(=O)N2CC[C@@H](O)C(F)(F)C2)cc1 ZINC000664926133 570299223 /nfs/dbraw/zinc/29/92/23/570299223.db2.gz GNHNTPBAPQKGSU-RTBURBONSA-N 0 0 390.430 3.391 40 0 GGABRN CCCn1c2ccccc2n(CCC(=O)N(C)Cc2ccccc2OC)c1=O ZINC000021922973 570299276 /nfs/dbraw/zinc/29/92/76/570299276.db2.gz ACUNCYLQQVYTAU-UHFFFAOYSA-N 0 0 381.476 3.270 40 0 GGABRN CCC(=O)Nc1ccc(C)c(NC(=O)N2C[C@@H](C)O[C@@H](c3nnc(C)o3)C2)c1 ZINC000665585986 570299304 /nfs/dbraw/zinc/29/93/04/570299304.db2.gz ABKNKERNAQBMNP-MLGOLLRUSA-N 0 0 387.440 3.029 40 0 GGABRN Cc1c2ccccc2oc1C(=O)COC(=O)c1ccc(Cn2cncn2)cc1 ZINC000021921350 570299323 /nfs/dbraw/zinc/29/93/23/570299323.db2.gz GYQUNGIHGZGFPF-UHFFFAOYSA-N 0 0 375.384 3.421 40 0 GGABRN CCOc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000216358740 570299656 /nfs/dbraw/zinc/29/96/56/570299656.db2.gz SBMOFKASIHUOIU-HOTGVXAUSA-N 0 0 390.505 3.117 40 0 GGABRN O=C(c1ccccc1)n1[n-]c(-c2ccccc2)c2c(=O)n(-c3ccccc3)c(O)c1-2 ZINC000104280172 570300584 /nfs/dbraw/zinc/30/05/84/570300584.db2.gz SQGCRBFITJUIPX-CTNGQTDRSA-N 0 0 395.418 3.105 40 0 GGABRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000003436807 570300741 /nfs/dbraw/zinc/30/07/41/570300741.db2.gz JYHXHYIUCPHUDX-UHFFFAOYSA-N 0 0 399.399 3.168 40 0 GGABRN Cc1cccc(CSCCNC(=O)c2cccc(CN3CCOCC3)c2)c1 ZINC000216401527 570300965 /nfs/dbraw/zinc/30/09/65/570300965.db2.gz BIWADPDMRXJIFA-UHFFFAOYSA-N 0 0 384.545 3.490 40 0 GGABRN CCOc1ccc(C(=O)NCc2ccc(OC)c(C(=O)OC)c2)cc1OCC ZINC000014229259 570302627 /nfs/dbraw/zinc/30/26/27/570302627.db2.gz VUZQHCNMMOTMAM-UHFFFAOYSA-N 0 0 387.432 3.209 40 0 GGABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1[C@@H]1CC=CCC1 ZINC000216568302 570303116 /nfs/dbraw/zinc/30/31/16/570303116.db2.gz TZENWCQQPGGTGF-ATZDWAIDSA-N 0 0 397.475 3.106 40 0 GGABRN COc1ccc(-c2nnc(-c3cc4c(ncnc4N4CCOCC4)s3)o2)cc1 ZINC000216612937 570303354 /nfs/dbraw/zinc/30/33/54/570303354.db2.gz JDZUSORJOCPIRR-UHFFFAOYSA-N 0 0 395.444 3.254 40 0 GGABRN CC(C)c1cccc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 ZINC000022059445 570303592 /nfs/dbraw/zinc/30/35/92/570303592.db2.gz ZXDNYOFEADJHCA-QFIPXVFZSA-N 0 0 377.444 3.142 40 0 GGABRN CCOC(=O)C1C(CN(C)Cc2ccccc2F)=NC(=O)N[C@@H]1c1ccccc1 ZINC000022060008 570303661 /nfs/dbraw/zinc/30/36/61/570303661.db2.gz UTQXWHOHNNOXLK-HXUWFJFHSA-N 0 0 397.450 3.129 40 0 GGABRN Cc1c2ccccc2sc1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000021561816 570304390 /nfs/dbraw/zinc/30/43/90/570304390.db2.gz GMUGFTFIWWLFBI-UHFFFAOYSA-N 0 0 385.489 3.194 40 0 GGABRN O=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000012933254 570304496 /nfs/dbraw/zinc/30/44/96/570304496.db2.gz OOKCLRVIMWNZGU-UHFFFAOYSA-N 0 0 398.312 3.435 40 0 GGABRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)CC)CC1 ZINC000021577552 570304657 /nfs/dbraw/zinc/30/46/57/570304657.db2.gz MSBMHQCFUZZGLK-UHFFFAOYSA-N 0 0 396.944 3.012 40 0 GGABRN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c1 ZINC000022131188 570306123 /nfs/dbraw/zinc/30/61/23/570306123.db2.gz SMPBCBVGKNGXNE-JTQLQIEISA-N 0 0 386.477 3.437 40 0 GGABRN CC(C)c1ccc(S(=O)(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000575420324 570307585 /nfs/dbraw/zinc/30/75/85/570307585.db2.gz ARBCWLILHGRKMP-SFHVURJKSA-N 0 0 393.530 3.192 40 0 GGABRN CCCCc1ccc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1 ZINC000022230753 570308353 /nfs/dbraw/zinc/30/83/53/570308353.db2.gz NFDKEVDXBLPQJP-UHFFFAOYSA-N 0 0 390.505 3.443 40 0 GGABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C)c2)c1 ZINC000022229706 570308423 /nfs/dbraw/zinc/30/84/23/570308423.db2.gz JKXLTCHGDBSSMR-GOSISDBHSA-N 0 0 388.489 3.104 40 0 GGABRN Cn1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(=O)c2ccccc21 ZINC000022234273 570308842 /nfs/dbraw/zinc/30/88/42/570308842.db2.gz FEWJRTGYOAURMQ-JXMROGBWSA-N 0 0 387.483 3.010 40 0 GGABRN Cc1cccc(NC(=O)N2CC[C@]3(CC[C@H](C(=O)NCC4CC4)O3)[C@@H](C)C2)c1 ZINC000107271634 570309122 /nfs/dbraw/zinc/30/91/22/570309122.db2.gz IKSVNNAWLBRZKM-DKZVUGQWSA-N 0 0 385.508 3.313 40 0 GGABRN CCn1cc(C(=O)NCCCn2ccnc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236989 570309468 /nfs/dbraw/zinc/30/94/68/570309468.db2.gz SFTJKAYYYRNMCF-UHFFFAOYSA-N 0 0 392.381 3.057 40 0 GGABRN CCn1cc(C(=O)NCc2ccncc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236707 570309484 /nfs/dbraw/zinc/30/94/84/570309484.db2.gz YZAJDDUPLPASSI-UHFFFAOYSA-N 0 0 375.350 3.365 40 0 GGABRN COc1ccc(CN(C)C(=O)[C@@H](NC(=O)C2CCCCC2)C(C)C)c(OC)c1 ZINC000022241253 570310146 /nfs/dbraw/zinc/31/01/46/570310146.db2.gz KSCYKUJMZCMMHF-FQEVSTJZSA-N 0 0 390.524 3.383 40 0 GGABRN O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCCCC1 ZINC000022251196 570310554 /nfs/dbraw/zinc/31/05/54/570310554.db2.gz YCNLJUKUNHAEIW-UHFFFAOYSA-N 0 0 378.538 3.100 40 0 GGABRN CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc(C)cc1)S(C)(=O)=O ZINC000022251861 570310848 /nfs/dbraw/zinc/31/08/48/570310848.db2.gz LOXLOIQSBJEJBS-UHFFFAOYSA-N 0 0 392.477 3.050 40 0 GGABRN Nc1c(C(=O)N2CCOCC2)sc2nc(C(F)(F)F)c3c(c12)CCCC3 ZINC000257173584 570311947 /nfs/dbraw/zinc/31/19/47/570311947.db2.gz RHFGCQOJZCBXTH-UHFFFAOYSA-N 0 0 385.411 3.249 40 0 GGABRN O=C(C=Cc1ccc2ccccc2n1)OCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000006558997 570311935 /nfs/dbraw/zinc/31/19/35/570311935.db2.gz FZKKGYCUMIWPEQ-CSKARUKUSA-N 0 0 388.379 3.005 40 0 GGABRN Cc1cc(C(=O)CN2C(=O)CC3(CCCCC3)C2=O)c(C)n1-c1nccs1 ZINC000022320461 570313015 /nfs/dbraw/zinc/31/30/15/570313015.db2.gz MZXDQUMOCWNBIZ-UHFFFAOYSA-N 0 0 385.489 3.443 40 0 GGABRN Cc1ccc(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000022327747 570313297 /nfs/dbraw/zinc/31/32/97/570313297.db2.gz SPMJUAWLEBCVPY-UHFFFAOYSA-N 0 0 394.924 3.163 40 0 GGABRN Cc1cc(C)cc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)c1 ZINC000022329377 570313632 /nfs/dbraw/zinc/31/36/32/570313632.db2.gz QOHKYHZUBCBFGP-FQEVSTJZSA-N 0 0 386.517 3.263 40 0 GGABRN Cc1cc(C)cc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)c1 ZINC000022329374 570313645 /nfs/dbraw/zinc/31/36/45/570313645.db2.gz QOHKYHZUBCBFGP-HXUWFJFHSA-N 0 0 386.517 3.263 40 0 GGABRN Cc1ccc(C)c([C@H](C)NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1 ZINC000022335146 570313934 /nfs/dbraw/zinc/31/39/34/570313934.db2.gz CMMZYXPTOATTAQ-HNNXBMFYSA-N 0 0 378.469 3.086 40 0 GGABRN CC[C@H](NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000022335784 570313971 /nfs/dbraw/zinc/31/39/71/570313971.db2.gz GTQJZXOIWFWSSF-IBGZPJMESA-N 0 0 392.496 3.476 40 0 GGABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1C ZINC000022373490 570314493 /nfs/dbraw/zinc/31/44/93/570314493.db2.gz KVGRSRHLEBMAJP-AWEZNQCLSA-N 0 0 396.459 3.225 40 0 GGABRN CC[C@@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000022363494 570314507 /nfs/dbraw/zinc/31/45/07/570314507.db2.gz VSODICGUTZKPQM-LJQANCHMSA-N 0 0 392.496 3.476 40 0 GGABRN COc1ccc(F)cc1COC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 ZINC000012940788 570314804 /nfs/dbraw/zinc/31/48/04/570314804.db2.gz QHZGEPVJOOXCTG-UHFFFAOYSA-N 0 0 384.407 3.294 40 0 GGABRN COc1cc(N(C)C(=O)Cc2c(C)nn(CC(C)C)c2C)cc(OC)c1OC ZINC000152065811 570314971 /nfs/dbraw/zinc/31/49/71/570314971.db2.gz AQVPLEDDDJNUDN-UHFFFAOYSA-N 0 0 389.496 3.387 40 0 GGABRN Cc1ccc(NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1C ZINC000022379668 570315037 /nfs/dbraw/zinc/31/50/37/570315037.db2.gz MYVFQWYLYQFNIV-UHFFFAOYSA-N 0 0 390.505 3.495 40 0 GGABRN CCCOc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000022379703 570315040 /nfs/dbraw/zinc/31/50/40/570315040.db2.gz JMIHFHXMGBSOCL-UHFFFAOYSA-N 0 0 390.505 3.497 40 0 GGABRN CCCOc1ccc(N(CC(=O)Nc2ccc(C)cc2C)S(C)(=O)=O)cc1 ZINC000022379202 570315047 /nfs/dbraw/zinc/31/50/47/570315047.db2.gz GEBIOWPWICXORE-UHFFFAOYSA-N 0 0 390.505 3.497 40 0 GGABRN Cc1cccc(NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)c1C ZINC000022383299 570315192 /nfs/dbraw/zinc/31/51/92/570315192.db2.gz VNSVOHAGBMZRNF-UHFFFAOYSA-N 0 0 390.505 3.495 40 0 GGABRN COc1ccccc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000022382968 570315331 /nfs/dbraw/zinc/31/53/31/570315331.db2.gz ZXXGNTDBFJRKTL-UHFFFAOYSA-N 0 0 376.478 3.223 40 0 GGABRN CCOc1cccc(N(CC(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)c1 ZINC000022387106 570315645 /nfs/dbraw/zinc/31/56/45/570315645.db2.gz BYMBLWJGAKZKII-UHFFFAOYSA-N 0 0 396.896 3.452 40 0 GGABRN CCOc1cccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)c1 ZINC000022387027 570315683 /nfs/dbraw/zinc/31/56/83/570315683.db2.gz PEHFVLIFUDDPJU-UHFFFAOYSA-N 0 0 396.896 3.452 40 0 GGABRN O=c1[nH]c(CNc2ccc(CN3CCOCC3)cc2)nc2cc(Cl)ccc21 ZINC000022386229 570315701 /nfs/dbraw/zinc/31/57/01/570315701.db2.gz QHOPCNTWZHUIDG-UHFFFAOYSA-N 0 0 384.867 3.021 40 0 GGABRN COc1ccc(C2N=NC(=S)N2CC(=O)N(C)[C@@H](C)c2ccccc2)cc1 ZINC000012942681 570316027 /nfs/dbraw/zinc/31/60/27/570316027.db2.gz SLTHBMYWVPYLQS-AWEZNQCLSA-N 0 0 382.489 3.462 40 0 GGABRN Cc1cc(C)c(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)c(C)c1 ZINC000022397760 570316119 /nfs/dbraw/zinc/31/61/19/570316119.db2.gz ZJUUBAPIVBWJCZ-MRXNPFEDSA-N 0 0 392.496 3.394 40 0 GGABRN CC(=O)c1cccc(NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c1 ZINC000022392155 570316123 /nfs/dbraw/zinc/31/61/23/570316123.db2.gz FUSZIPTYXLZTDO-UHFFFAOYSA-N 0 0 388.489 3.219 40 0 GGABRN CCCOc1ccc(N(CC(=O)NC2CCCCCCC2)S(C)(=O)=O)cc1 ZINC000022400109 570316244 /nfs/dbraw/zinc/31/62/44/570316244.db2.gz FSUKMXJFWNJFOF-UHFFFAOYSA-N 0 0 396.553 3.471 40 0 GGABRN O[C@H](c1ccccc1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000022406248 570316352 /nfs/dbraw/zinc/31/63/52/570316352.db2.gz UGZXDQCSVMLBJB-MRXNPFEDSA-N 0 0 377.370 3.093 40 0 GGABRN CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000022402610 570316400 /nfs/dbraw/zinc/31/64/00/570316400.db2.gz SNRVUAXTEVNULT-UHFFFAOYSA-N 0 0 385.826 3.356 40 0 GGABRN CC(=O)N1CCCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216497 570317531 /nfs/dbraw/zinc/31/75/31/570317531.db2.gz AJZDIICKHYIABQ-SFHVURJKSA-N 0 0 388.512 3.212 40 0 GGABRN Cc1cc(C)cc(C(=O)NCC(=O)NCCOc2ccc3ccccc3c2)c1 ZINC000016142416 570317830 /nfs/dbraw/zinc/31/78/30/570317830.db2.gz NREIIAREFMFEBN-UHFFFAOYSA-N 0 0 376.456 3.382 40 0 GGABRN Cc1cc(C)cc(NC(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)c1 ZINC000012949672 570318226 /nfs/dbraw/zinc/31/82/26/570318226.db2.gz FFUQZJKHGNIJNZ-SFHVURJKSA-N 0 0 385.489 3.005 40 0 GGABRN Cc1nn(C)c(Cl)c1C(=O)OCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000022473871 570318351 /nfs/dbraw/zinc/31/83/51/570318351.db2.gz AIZNKCQSRXDHLK-GFCCVEGCSA-N 0 0 389.883 3.295 40 0 GGABRN Cc1c(C(=O)N2CCc3ccc(F)cc3C2)nnn1-c1cccc2ncccc21 ZINC000121622170 570318635 /nfs/dbraw/zinc/31/86/35/570318635.db2.gz WBGWEEDHFSAMLQ-UHFFFAOYSA-N 0 0 387.418 3.462 40 0 GGABRN Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCN(c4ccccc4O)CC3)c12 ZINC000022506661 570318692 /nfs/dbraw/zinc/31/86/92/570318692.db2.gz SXLDNZDKGDODST-UHFFFAOYSA-N 0 0 393.491 3.068 40 0 GGABRN CN(C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)C1CCCC1 ZINC000022509130 570318717 /nfs/dbraw/zinc/31/87/17/570318717.db2.gz ZMJXWTIFXHVABJ-UHFFFAOYSA-N 0 0 390.480 3.422 40 0 GGABRN O=C(N[C@H]1CC[C@H]2CCCC[C@@H]2C1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000108975467 570318897 /nfs/dbraw/zinc/31/88/97/570318897.db2.gz GBTNCVYXGBAANV-TVFCKZIOSA-N 0 0 398.503 3.286 40 0 GGABRN CC(C)C[C@@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccccc1 ZINC000022515320 570319336 /nfs/dbraw/zinc/31/93/36/570319336.db2.gz KLINGIUDKGBHFR-GOSISDBHSA-N 0 0 392.496 3.495 40 0 GGABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NCCCOC ZINC000022524377 570320147 /nfs/dbraw/zinc/32/01/47/570320147.db2.gz ZYCFNYJDPYEMFV-INIZCTEOSA-N 0 0 384.476 3.421 40 0 GGABRN CC[C@@H](NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)c1ccc(OC)cc1 ZINC000022533977 570321121 /nfs/dbraw/zinc/32/11/21/570321121.db2.gz NDKMLMXZNJJNPR-QGZVFWFLSA-N 0 0 376.478 3.256 40 0 GGABRN COC(=O)c1cc(NC(=O)CSCc2ccc(F)cc2)cc(C(=O)OC)c1 ZINC000022534025 570321136 /nfs/dbraw/zinc/32/11/36/570321136.db2.gz BBUPPWVROHEGCB-UHFFFAOYSA-N 0 0 391.420 3.271 40 0 GGABRN CNS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000022537722 570321424 /nfs/dbraw/zinc/32/14/24/570321424.db2.gz UROLZSMDZSPQLJ-KRWDZBQOSA-N 0 0 388.533 3.330 40 0 GGABRN CCCNS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000022537696 570321453 /nfs/dbraw/zinc/32/14/53/570321453.db2.gz QOYPTMQQSHESKA-OAHLLOKOSA-N 0 0 392.496 3.324 40 0 GGABRN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(F)cc1 ZINC000022539979 570321573 /nfs/dbraw/zinc/32/15/73/570321573.db2.gz PSYBFJRLONSWNO-RDJZCZTQSA-N 0 0 390.480 3.104 40 0 GGABRN COc1ccc(CCNC(=O)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1OC ZINC000022540567 570321823 /nfs/dbraw/zinc/32/18/23/570321823.db2.gz HVWGGFMCYZHDQG-KRWDZBQOSA-N 0 0 398.503 3.165 40 0 GGABRN COc1ccc(NC(C)=O)cc1NC(=O)C1(CC(=O)NC(C)C)CCCC1 ZINC000022558578 570321841 /nfs/dbraw/zinc/32/18/41/570321841.db2.gz RYRALSRBNXCAEA-UHFFFAOYSA-N 0 0 375.469 3.067 40 0 GGABRN Cc1cccc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)c1 ZINC000044791161 570322005 /nfs/dbraw/zinc/32/20/05/570322005.db2.gz WSEGKYBFIPBWLF-UHFFFAOYSA-N 0 0 386.395 3.419 40 0 GGABRN COc1cc(C(=O)N2CCN(CCOc3ccccc3Cl)CC2)ccc1C ZINC000024874294 570322074 /nfs/dbraw/zinc/32/20/74/570322074.db2.gz ZHYICKWLWRQZIM-UHFFFAOYSA-N 0 0 388.895 3.494 40 0 GGABRN CC(=O)Oc1ccc(-c2ccnc3nc(N4CCC(C)CC4)[nH]c(=O)c23)cc1 ZINC000022606948 570322919 /nfs/dbraw/zinc/32/29/19/570322919.db2.gz QJQYYPVMTGZKEV-UHFFFAOYSA-N 0 0 378.432 3.147 40 0 GGABRN Cc1nn2c(nnc3c2ccn(-c2ccncc2)c3=O)c1-c1cccc(Cl)c1 ZINC000022610672 570323137 /nfs/dbraw/zinc/32/31/37/570323137.db2.gz MBBXSJQMCKOXRS-UHFFFAOYSA-N 0 0 388.818 3.452 40 0 GGABRN COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3ccc(C)c(C)c3)C1=O)CC2 ZINC000022609139 570323233 /nfs/dbraw/zinc/32/32/33/570323233.db2.gz BAMQWIQXBHLQFR-IBGZPJMESA-N 0 0 394.471 3.011 40 0 GGABRN CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccco1 ZINC000022618486 570323670 /nfs/dbraw/zinc/32/36/70/570323670.db2.gz NQQIKTINUVJURW-IBGZPJMESA-N 0 0 386.473 3.052 40 0 GGABRN CC(C)CNC(=O)c1ccccc1NC(=O)c1cccc(CN2CCOCC2)c1 ZINC000110617339 570324127 /nfs/dbraw/zinc/32/41/27/570324127.db2.gz PQQTYAGSPUEHTE-UHFFFAOYSA-N 0 0 395.503 3.157 40 0 GGABRN Cc1nc(NC(=O)N2CCC[C@@H]2C(N)=O)sc1-c1csc(C(C)(C)C)n1 ZINC000146454047 570324437 /nfs/dbraw/zinc/32/44/37/570324437.db2.gz HBPXWEPKNBHKAX-LLVKDONJSA-N 0 0 393.538 3.354 40 0 in-vitro GGABRN COc1cc(OC)cc(-c2nnc(SCC(=O)N3CCCC[C@@H]3C)o2)c1 ZINC000000781920 570324734 /nfs/dbraw/zinc/32/47/34/570324734.db2.gz CBVZWBHAJPMGCX-LBPRGKRZSA-N 0 0 377.466 3.247 40 0 GGABRN COCCNC(=O)C1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 ZINC000026327661 570324867 /nfs/dbraw/zinc/32/48/67/570324867.db2.gz OMAJRQKVCJDHEG-UHFFFAOYSA-N 0 0 398.528 3.129 40 0 GGABRN C[C@H](NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)c1ccccc1Cl ZINC000023482393 570325035 /nfs/dbraw/zinc/32/50/35/570325035.db2.gz PYFBDRGRJXMCNM-ZDUSSCGKSA-N 0 0 377.872 3.114 40 0 GGABRN COc1cc(CNc2nnnn2C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022112160 570326027 /nfs/dbraw/zinc/32/60/27/570326027.db2.gz QXYPWHNCCRDHRR-UHFFFAOYSA-N 0 0 377.807 3.202 40 0 GGABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc(C)c1 ZINC000047157161 570326144 /nfs/dbraw/zinc/32/61/44/570326144.db2.gz ZSAOYLZYJRFHOU-UHFFFAOYSA-N 0 0 388.489 3.431 40 0 GGABRN COc1ccc(CCNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC ZINC000048662409 570326923 /nfs/dbraw/zinc/32/69/23/570326923.db2.gz PYZHGZJRLPWFSU-UHFFFAOYSA-N 0 0 397.258 3.308 40 0 GGABRN Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)[C@@H](C)n3cccn3)C2)n1 ZINC000220819680 570327317 /nfs/dbraw/zinc/32/73/17/570327317.db2.gz FDVAUTLAPPSMGT-IAGOWNOFSA-N 0 0 379.464 3.284 40 0 GGABRN COC(=O)[C@@](O)(c1ccc(N(C)C(=O)c2ccc(C)cc2)cc1)C(F)(F)F ZINC000003082335 570327899 /nfs/dbraw/zinc/32/78/99/570327899.db2.gz DORRWIPLUVGGHX-SFHVURJKSA-N 0 0 381.350 3.195 40 0 GGABRN Cc1ccccc1CN1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 ZINC000023638941 570328864 /nfs/dbraw/zinc/32/88/64/570328864.db2.gz GHKGBWUFGRQVDH-UHFFFAOYSA-N 0 0 391.515 3.009 40 0 GGABRN COc1cc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)ccc1C ZINC000023642597 570328877 /nfs/dbraw/zinc/32/88/77/570328877.db2.gz ZWARMPZRJGEFHV-UHFFFAOYSA-N 0 0 388.895 3.494 40 0 GGABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)c2ccc(C)cc2C)cc1 ZINC000022275324 570330463 /nfs/dbraw/zinc/33/04/63/570330463.db2.gz HDOQCARSNMVRMI-UHFFFAOYSA-N 0 0 386.517 3.430 40 0 GGABRN O=C(CCc1ccc(F)c(Cl)c1)NCc1ccnc(N2CCCC2=O)c1 ZINC000575607881 570330701 /nfs/dbraw/zinc/33/07/01/570330701.db2.gz KUWRCTCMNGVQAN-UHFFFAOYSA-N 0 0 375.831 3.250 40 0 GGABRN O=C(NCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000000791969 570333972 /nfs/dbraw/zinc/33/39/72/570333972.db2.gz DQAWXEIYCACULI-INIZCTEOSA-N 0 0 392.908 3.057 40 0 GGABRN CCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000113892698 570334532 /nfs/dbraw/zinc/33/45/32/570334532.db2.gz OVPNDXAJCINWSZ-UHFFFAOYSA-N 0 0 397.880 3.415 40 0 GGABRN CCS(=O)(=O)Nc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1 ZINC000113943632 570335288 /nfs/dbraw/zinc/33/52/88/570335288.db2.gz MJNRJZJCFPATNX-UHFFFAOYSA-N 0 0 376.478 3.165 40 0 GGABRN CCN(c1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1)S(C)(=O)=O ZINC000113944813 570335364 /nfs/dbraw/zinc/33/53/64/570335364.db2.gz DYNMXFBGZBCZIN-UHFFFAOYSA-N 0 0 390.505 3.190 40 0 GGABRN CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)c1 ZINC000113946383 570335367 /nfs/dbraw/zinc/33/53/67/570335367.db2.gz CHCSMVGOXHLTHG-UHFFFAOYSA-N 0 0 392.477 3.033 40 0 GGABRN CCOC(=O)[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000007449272 570335519 /nfs/dbraw/zinc/33/55/19/570335519.db2.gz RUMJSJSRRROLSH-QWHCGFSZSA-N 0 0 388.386 3.187 40 0 GGABRN CS(=O)(=O)N(CCCC(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000113955839 570335634 /nfs/dbraw/zinc/33/56/34/570335634.db2.gz LZZLGGGFDBMTBR-UHFFFAOYSA-N 0 0 398.887 3.342 40 0 GGABRN CCOc1cccc(NC(=O)[C@H](CC)N(c2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000113950082 570335667 /nfs/dbraw/zinc/33/56/67/570335667.db2.gz RRRXLZWZVJPUGK-SFHVURJKSA-N 0 0 394.468 3.408 40 0 GGABRN Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 ZINC000113957297 570336083 /nfs/dbraw/zinc/33/60/83/570336083.db2.gz PQEKDDLEJYZSSH-UHFFFAOYSA-N 0 0 386.517 3.346 40 0 GGABRN COc1ccc(C(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1OC ZINC000408572563 570336379 /nfs/dbraw/zinc/33/63/79/570336379.db2.gz KCOMMQZMLVSRAS-UHFFFAOYSA-N 0 0 395.444 3.431 40 0 GGABRN CCOc1cccc(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 ZINC000113957873 570336349 /nfs/dbraw/zinc/33/63/49/570336349.db2.gz WRJZKAWSMRLAQV-GFCCVEGCSA-N 0 0 398.431 3.157 40 0 GGABRN CCc1ccc(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 ZINC000113958060 570336412 /nfs/dbraw/zinc/33/64/12/570336412.db2.gz IDTBGWRMPQASMT-GFCCVEGCSA-N 0 0 382.432 3.320 40 0 GGABRN Cc1cccc(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1C ZINC000113957965 570336448 /nfs/dbraw/zinc/33/64/48/570336448.db2.gz RNMHMXIYPJOFBH-ZDUSSCGKSA-N 0 0 382.432 3.375 40 0 GGABRN CCOc1ccc(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 ZINC000113957863 570336462 /nfs/dbraw/zinc/33/64/62/570336462.db2.gz HJAQMVHLIVAIBA-LBPRGKRZSA-N 0 0 398.431 3.157 40 0 GGABRN Cc1cc(C)cc(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 ZINC000113957450 570336467 /nfs/dbraw/zinc/33/64/67/570336467.db2.gz HDWWNAXDMQRAAL-ZDUSSCGKSA-N 0 0 382.432 3.375 40 0 GGABRN Cc1cc(C)cc(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 ZINC000113957447 570336470 /nfs/dbraw/zinc/33/64/70/570336470.db2.gz HDWWNAXDMQRAAL-CYBMUJFWSA-N 0 0 382.432 3.375 40 0 GGABRN COc1ccc(N(CCCC(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000113962071 570336675 /nfs/dbraw/zinc/33/66/75/570336675.db2.gz LQMOXYWCEOYBJR-UHFFFAOYSA-N 0 0 390.505 3.497 40 0 GGABRN CCc1ccc(N(CCCC(=O)NCc2ccccc2C)S(C)(=O)=O)cc1 ZINC000113962800 570337174 /nfs/dbraw/zinc/33/71/74/570337174.db2.gz PWZCPHOMILHAOL-UHFFFAOYSA-N 0 0 388.533 3.420 40 0 GGABRN COc1cccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1 ZINC000113965285 570337364 /nfs/dbraw/zinc/33/73/64/570337364.db2.gz VYZWOKDIBKWARN-UHFFFAOYSA-N 0 0 380.441 3.019 40 0 GGABRN CCc1ccc(NC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)cc1 ZINC000113966850 570337599 /nfs/dbraw/zinc/33/75/99/570337599.db2.gz RXNVRSFKRWHQDH-UHFFFAOYSA-N 0 0 390.505 3.443 40 0 GGABRN COc1ccccc1N(CCCC(=O)Nc1ccc(C)cc1C)S(C)(=O)=O ZINC000113966570 570337794 /nfs/dbraw/zinc/33/77/94/570337794.db2.gz XDSNAYOFHJXJCH-UHFFFAOYSA-N 0 0 390.505 3.497 40 0 GGABRN CCOc1ccc(NC(=O)[C@H](CC)N(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000113967637 570338446 /nfs/dbraw/zinc/33/84/46/570338446.db2.gz UTAWYVWCZCOLSR-KRWDZBQOSA-N 0 0 394.468 3.408 40 0 GGABRN COc1cccc(N(CCCC(=O)Nc2ccc(C)cc2)S(C)(=O)=O)c1 ZINC000113968021 570338469 /nfs/dbraw/zinc/33/84/69/570338469.db2.gz JNXNRGOVJTVKKW-UHFFFAOYSA-N 0 0 376.478 3.189 40 0 GGABRN Cc1cc(C)cc(N(CCCC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000113968458 570338740 /nfs/dbraw/zinc/33/87/40/570338740.db2.gz REIOEFXEQPHNCR-UHFFFAOYSA-N 0 0 392.496 3.305 40 0 GGABRN O=C(Cc1c[nH]c2ccccc12)N1CCC(c2nccnc2-n2ccnc2)CC1 ZINC000072350670 570338937 /nfs/dbraw/zinc/33/89/37/570338937.db2.gz DPVVSOCTOCYRBU-UHFFFAOYSA-N 0 0 386.459 3.092 40 0 GGABRN COc1cc(-c2nnc(COC(=O)c3cccc(C)c3)o2)cc(OC)c1OC ZINC000004846379 570340694 /nfs/dbraw/zinc/34/06/94/570340694.db2.gz NHAOSYHEZKQAMI-UHFFFAOYSA-N 0 0 384.388 3.428 40 0 GGABRN Cc1cc(C)c(NC(=O)CNC(=O)CCc2nnc(-c3ccccc3)o2)c(C)c1 ZINC000023039844 570341302 /nfs/dbraw/zinc/34/13/02/570341302.db2.gz RSWDEUYFIQYMAC-UHFFFAOYSA-N 0 0 392.459 3.349 40 0 GGABRN C[C@@H]1CCC[C@H](C)N1C(=O)Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21 ZINC000408574408 570342033 /nfs/dbraw/zinc/34/20/33/570342033.db2.gz UTFGJWWJHUQOJH-CALCHBBNSA-N 0 0 395.503 3.236 40 0 GGABRN COc1cccc(-c2noc(CN(C)C(=O)COc3ccccc3Cl)n2)c1 ZINC000218852036 570342092 /nfs/dbraw/zinc/34/20/92/570342092.db2.gz OBPOPBCESWYHCW-UHFFFAOYSA-N 0 0 387.823 3.436 40 0 GGABRN C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21 ZINC000408574411 570342243 /nfs/dbraw/zinc/34/22/43/570342243.db2.gz UTFGJWWJHUQOJH-IRXDYDNUSA-N 0 0 395.503 3.236 40 0 GGABRN COC(=O)c1c(NC(=O)CSCc2ccccc2)sc2c1CCN(C)C2 ZINC000408575717 570342650 /nfs/dbraw/zinc/34/26/50/570342650.db2.gz PUDJDAPGGFBTSS-UHFFFAOYSA-N 0 0 390.530 3.395 40 0 GGABRN COc1cc(OC)cc(OCC(=O)NCCSCc2ccccc2C)c1 ZINC000218889251 570343137 /nfs/dbraw/zinc/34/31/37/570343137.db2.gz JTXZIGSZFUCOKH-UHFFFAOYSA-N 0 0 375.490 3.441 40 0 GGABRN CNC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc43)C2)c1 ZINC000024039992 570343670 /nfs/dbraw/zinc/34/36/70/570343670.db2.gz IWMQZNONVZJLFU-KRWDZBQOSA-N 0 0 387.439 3.191 40 0 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/nfs/dbraw/zinc/04/01/72/571040172.db2.gz ROMVLLQCNJKAQB-OAHLLOKOSA-N 0 0 387.443 3.010 40 0 GGABRN O=C(CCc1nc2ccccc2[nH]1)NCC1(c2cccc(F)c2)CCOCC1 ZINC000019717778 571040575 /nfs/dbraw/zinc/04/05/75/571040575.db2.gz MIWABSAVUQYRGG-UHFFFAOYSA-N 0 0 381.451 3.499 40 0 GGABRN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000015689476 571045716 /nfs/dbraw/zinc/04/57/16/571045716.db2.gz YQYYKHYNCFTSFT-OAHLLOKOSA-N 0 0 398.484 3.405 40 0 GGABRN COc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(O)c1 ZINC000025965012 571045755 /nfs/dbraw/zinc/04/57/55/571045755.db2.gz JPVVNNKZUMCZCU-UHFFFAOYSA-N 0 0 380.366 3.382 40 0 GGABRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc2c(c1)CCCC2 ZINC000016488944 571049288 /nfs/dbraw/zinc/04/92/88/571049288.db2.gz DPDCBBIZZPWLAL-LJQANCHMSA-N 0 0 377.440 3.344 40 0 GGABRN CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccc(Cl)cc1)NC2=O ZINC000095951372 571095757 /nfs/dbraw/zinc/09/57/57/571095757.db2.gz USAFGLBJGNNVFJ-CVEARBPZSA-N 0 0 394.899 3.279 40 0 GGABRN CC(C)n1c2cc(C(=O)NCCCN3CCOCC3)n(C)c2c2ccccc21 ZINC000096037357 571096835 /nfs/dbraw/zinc/09/68/35/571096835.db2.gz LETDXLWQHLNDIN-UHFFFAOYSA-N 0 0 382.508 3.166 40 0 GGABRN COc1ccc(-c2nc(-c3noc4ccc(C(=O)NCCO)cc43)cs2)cc1 ZINC000096037880 571096869 /nfs/dbraw/zinc/09/68/69/571096869.db2.gz ZITGFKJJUUFBRG-UHFFFAOYSA-N 0 0 395.440 3.349 40 0 GGABRN CCS(=O)(=O)N1CCC(c2nc3ccc(Nc4ccccc4)cn3n2)CC1 ZINC000096038334 571097419 /nfs/dbraw/zinc/09/74/19/571097419.db2.gz DZGPJJZHDRJOTI-UHFFFAOYSA-N 0 0 385.493 3.002 40 0 GGABRN O=C(C[C@@H]1CC2(CCN(C(=O)N3CCCC3)CC2)c2ccccc21)NC1CC1 ZINC000096053021 571097652 /nfs/dbraw/zinc/09/76/52/571097652.db2.gz BATYRTJFPCKXNU-QGZVFWFLSA-N 0 0 381.520 3.392 40 0 GGABRN CN(C)C(=O)C[C@H]1CC2(CCN(C(=O)c3cccnc3)CC2)Oc2ccccc21 ZINC000096053178 571097936 /nfs/dbraw/zinc/09/79/36/571097936.db2.gz WSLQBGONTNNELM-SFHVURJKSA-N 0 0 393.487 3.101 40 0 GGABRN CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)c3cccnc3)CC2)Oc2ccccc21 ZINC000096053177 571098077 /nfs/dbraw/zinc/09/80/77/571098077.db2.gz WSLQBGONTNNELM-GOSISDBHSA-N 0 0 393.487 3.101 40 0 GGABRN O=C(C[C@H]1CC2(CCN(C(=O)c3ccco3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053439 571098100 /nfs/dbraw/zinc/09/81/00/571098100.db2.gz MFJZYOCGIHJZDO-INIZCTEOSA-N 0 0 394.471 3.489 40 0 GGABRN COc1ccc(CN2CCc3c(nnn3C)[C@H]2COCc2ccccc2)cc1 ZINC000096060531 571098622 /nfs/dbraw/zinc/09/86/22/571098622.db2.gz KBVISAYJACSRBQ-OAQYLSRUSA-N 0 0 378.476 3.140 40 0 GGABRN CN1C[C@@H](NC(=O)Nc2ccccc2)C[C@H]1c1nc(Cc2ccccc2)no1 ZINC000020464258 575366551 /nfs/dbraw/zinc/36/65/51/575366551.db2.gz GTVVICLXODLQRQ-ROUUACIJSA-N 0 0 377.448 3.227 40 0 biogenic,in-vitro GGABRN C[N@@H+]1CCC[C@@H](CNc2ccc(C(=O)[O-])nn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000563205824 600396760 /nfs/dbraw/zinc/39/67/60/600396760.db2.gz WEJLFFAXQAKIOP-GUYCJALGSA-N 0 0 394.397 3.111 40 0 GGABRN Cc1ccccc1N(CC(=O)N[C@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O ZINC000053386943 1406381884 /nfs/dbraw/zinc/38/18/84/1406381884.db2.gz WYZIYDDYPHMCNO-MRXNPFEDSA-N 0 0 386.517 3.127 40 0 GGABRN COc1ccc(-c2cc(=NCCN3CCOCC3)c3cc(O)ccc3o2)cc1 ZINC000001971943 1398303707 /nfs/dbraw/zinc/30/37/07/1398303707.db2.gz AQNOSGJKLKGJPE-UHFFFAOYSA-N 0 0 380.444 3.047 40 0 GGABRN O=C(NCc1ccco1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000002626577 1398314112 /nfs/dbraw/zinc/31/41/12/1398314112.db2.gz HCMDJNNTPJPVNG-UHFFFAOYSA-N 0 0 396.896 3.428 40 0 GGABRN Cc1cc(C(=O)CSc2nncn2C)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000002634826 1398314942 /nfs/dbraw/zinc/31/49/42/1398314942.db2.gz ZDVKJEAVOOTRIT-OAHLLOKOSA-N 0 0 398.488 3.048 40 0 GGABRN CN(Cc1ccccc1)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000003175756 1398327051 /nfs/dbraw/zinc/32/70/51/1398327051.db2.gz XMIGTHWCTCJFCA-GOSISDBHSA-N 0 0 392.908 3.152 40 0 GGABRN O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000003097392 1398327063 /nfs/dbraw/zinc/32/70/63/1398327063.db2.gz JGMMYAZXVBMQQD-UHFFFAOYSA-N 0 0 378.409 3.288 40 0 GGABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCc2ccccc2C1 ZINC000003234321 1398329200 /nfs/dbraw/zinc/32/92/00/1398329200.db2.gz YLZYYPPCMIJEET-UHFFFAOYSA-N 0 0 398.528 3.368 40 0 GGABRN Cc1cc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(C)cc2)no1 ZINC000003488087 1398354571 /nfs/dbraw/zinc/35/45/71/1398354571.db2.gz BSFJMRXSSWUUEG-UHFFFAOYSA-N 0 0 378.384 3.318 40 0 GGABRN COc1ccccc1Nc1nnc(SCC(=O)NC(=O)NC(C)(C)C)s1 ZINC000003494314 1398356504 /nfs/dbraw/zinc/35/65/04/1398356504.db2.gz DRCKSGALPOYYDA-UHFFFAOYSA-N 0 0 395.510 3.007 40 0 GGABRN O=C1NC(=S)S/C1=C/c1nn(Cc2ccccc2)cc1-c1cccnc1 ZINC000003554662 1398368147 /nfs/dbraw/zinc/36/81/47/1398368147.db2.gz SXPPPQBJDJNEHI-RQZCQDPDSA-N 0 0 378.482 3.482 40 0 GGABRN C[C@H](NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000003556157 1398368482 /nfs/dbraw/zinc/36/84/82/1398368482.db2.gz PUDNGEVKUXASOC-SFHVURJKSA-N 0 0 389.451 3.343 40 0 GGABRN C[C@@H](NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000003556159 1398368533 /nfs/dbraw/zinc/36/85/33/1398368533.db2.gz PUDNGEVKUXASOC-GOSISDBHSA-N 0 0 389.451 3.343 40 0 GGABRN C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O ZINC000003600502 1398372947 /nfs/dbraw/zinc/37/29/47/1398372947.db2.gz FUKRBMIZYVGFHF-FQEVSTJZSA-N 0 0 389.883 3.114 40 0 GGABRN Cc1c(NC(=O)CSc2nc3ccccc3o2)c(=O)n(-c2ccccc2)n1C ZINC000003618932 1398374453 /nfs/dbraw/zinc/37/44/53/1398374453.db2.gz XILIKQBJFDBEJD-UHFFFAOYSA-N 0 0 394.456 3.356 40 0 GGABRN CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21C ZINC000004024677 1398377021 /nfs/dbraw/zinc/37/70/21/1398377021.db2.gz YUWPMEXLKGOSBF-ITWTXWRJSA-N 0 0 386.488 3.302 40 0 biogenic GGABRN Cc1c(C)c2ccc(O[C@@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cc2oc1=O ZINC000004073556 1398378824 /nfs/dbraw/zinc/37/88/24/1398378824.db2.gz XLNLCLWTBKGAEG-QQMNAOGKSA-N 0 0 399.487 3.331 40 0 GGABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4C[C@H](O)[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000004083470 1398379340 /nfs/dbraw/zinc/37/93/40/1398379340.db2.gz RRDIUAREQABZFO-YMSIPETFSA-N 0 0 392.536 3.252 40 0 biogenic GGABRN Cc1cc(C)c(NC(=O)CSc2nc3c(c(=O)n2C)S[C@@H](C)C3)c(C)c1 ZINC000004107813 1398380544 /nfs/dbraw/zinc/38/05/44/1398380544.db2.gz FKIGZZQSFGOJBN-ZDUSSCGKSA-N 0 0 389.546 3.473 40 0 GGABRN COCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 ZINC000004840790 1398405337 /nfs/dbraw/zinc/40/53/37/1398405337.db2.gz UTTYKYAANRUMBQ-UHFFFAOYSA-N 0 0 382.489 3.097 40 0 GGABRN CCc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)c(C)c2)CC1=O ZINC000005037594 1398411145 /nfs/dbraw/zinc/41/11/45/1398411145.db2.gz VJYLUNDLUNNFIW-GOSISDBHSA-N 0 0 394.471 3.401 40 0 GGABRN CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3CC)C2)cc1 ZINC000005037633 1398411289 /nfs/dbraw/zinc/41/12/89/1398411289.db2.gz OCZSHOMCBWFMRP-SFHVURJKSA-N 0 0 394.471 3.346 40 0 GGABRN CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)c(C)c2)CC1=O ZINC000005037595 1398411455 /nfs/dbraw/zinc/41/14/55/1398411455.db2.gz VJYLUNDLUNNFIW-SFHVURJKSA-N 0 0 394.471 3.401 40 0 GGABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000005578939 1398455620 /nfs/dbraw/zinc/45/56/20/1398455620.db2.gz LBMMDYUPRUKECM-BQYQJAHWSA-N 0 0 386.360 3.051 40 0 GGABRN COCCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 ZINC000005735397 1398472074 /nfs/dbraw/zinc/47/20/74/1398472074.db2.gz WUHRAPSBVGDZKJ-UHFFFAOYSA-N 0 0 396.516 3.488 40 0 GGABRN COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(OC)c3)o2)cc1 ZINC000005788734 1398477795 /nfs/dbraw/zinc/47/77/95/1398477795.db2.gz XOGSFOXPRLFEQL-UHFFFAOYSA-N 0 0 385.445 3.408 40 0 GGABRN CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OC ZINC000005872273 1398486863 /nfs/dbraw/zinc/48/68/63/1398486863.db2.gz QMSLDPHAZHPUMD-LZYBPNLTSA-N 0 0 380.400 3.046 40 0 GGABRN Cc1cccc(N2C[C@@H](C(=O)OCC(=O)N[C@H](C)c3ccccc3)CC2=O)c1C ZINC000005934609 1398492967 /nfs/dbraw/zinc/49/29/67/1398492967.db2.gz UFOITZVGOOEOTP-MJGOQNOKSA-N 0 0 394.471 3.077 40 0 GGABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000006154379 1398536070 /nfs/dbraw/zinc/53/60/70/1398536070.db2.gz IAFKJMNFRLDIIV-INIZCTEOSA-N 0 0 390.461 3.480 40 0 GGABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000006154377 1398536176 /nfs/dbraw/zinc/53/61/76/1398536176.db2.gz IAFKJMNFRLDIIV-MRXNPFEDSA-N 0 0 390.461 3.480 40 0 GGABRN CCn1c(S[C@H](C)C(=O)N2CCc3ccccc32)nc2ccccc2c1=O ZINC000006172507 1398536659 /nfs/dbraw/zinc/53/66/59/1398536659.db2.gz QZCUQJRUIOQFMF-CQSZACIVSA-N 0 0 379.485 3.486 40 0 GGABRN CCNc1nc2nc(S[C@@H](C)C(=O)c3ccc(C)cc3)nn2c(NCC)n1 ZINC000006205859 1398537457 /nfs/dbraw/zinc/53/74/57/1398537457.db2.gz JJIWJQQIHCTGGL-LBPRGKRZSA-N 0 0 385.497 3.055 40 0 GGABRN Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCCC(C)C ZINC000006233232 1398539224 /nfs/dbraw/zinc/53/92/24/1398539224.db2.gz IXXKOPQEVVEJSX-UHFFFAOYSA-N 0 0 396.553 3.147 40 0 GGABRN C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccccc1 ZINC000006260548 1398540128 /nfs/dbraw/zinc/54/01/28/1398540128.db2.gz FTFBZTHUCDSNCI-JKSUJKDBSA-N 0 0 382.485 3.384 40 0 GGABRN CCCCCNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000006308612 1398541144 /nfs/dbraw/zinc/54/11/44/1398541144.db2.gz UABRCXCECWKLQU-UHFFFAOYSA-N 0 0 392.496 3.323 40 0 GGABRN CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000006327868 1398543039 /nfs/dbraw/zinc/54/30/39/1398543039.db2.gz HKMKFZSHRINHKL-UHFFFAOYSA-N 0 0 382.432 3.223 40 0 GGABRN CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000006327893 1398543173 /nfs/dbraw/zinc/54/31/73/1398543173.db2.gz ZFRCKXOPWJGYII-UHFFFAOYSA-N 0 0 394.518 3.113 40 0 GGABRN COc1cc(/C=C2\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)ccc1O ZINC000006327462 1398543213 /nfs/dbraw/zinc/54/32/13/1398543213.db2.gz BFQQGMZJTBHLQA-SXGWCWSVSA-N 0 0 392.477 3.083 40 0 GGABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NC(C)C)cc2)c1 ZINC000006352383 1398544496 /nfs/dbraw/zinc/54/44/96/1398544496.db2.gz LSVZUPHUGNEEGT-UHFFFAOYSA-N 0 0 376.478 3.008 40 0 GGABRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000006350270 1398544556 /nfs/dbraw/zinc/54/45/56/1398544556.db2.gz SPTJJMFDNQYEAV-INIZCTEOSA-N 0 0 387.417 3.461 40 0 GGABRN 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CC(=O)N1CCc2nc([C@H]3CCCN3CCCOc3cccc(C)c3)ncc2C1 ZINC000019235181 207110233 /nfs/dbraw/zinc/11/02/33/207110233.db2.gz OTOVFYJHYNOAKY-JOCHJYFZSA-N 0 0 394.519 3.296 40 0 GGABRN CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C(=O)CCn1cccn1 ZINC000019019551 207101107 /nfs/dbraw/zinc/10/11/07/207101107.db2.gz DCVYQIXRBCLZRR-XJUOHMSHSA-N 0 0 394.519 3.059 40 0 GGABRN CC(=O)Nc1nc(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)cs1 ZINC000019022938 207101394 /nfs/dbraw/zinc/10/13/94/207101394.db2.gz JZGUZLUNMTWDBQ-ZDUSSCGKSA-N 0 0 375.450 3.302 40 0 GGABRN COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)[C@@H](C)n2cc(Cl)cn2)cc1 ZINC000019079520 207101708 /nfs/dbraw/zinc/10/17/08/207101708.db2.gz KROJCANFOYWRNI-KZULUSFZSA-N 0 0 385.855 3.004 40 0 GGABRN Cc1cc(-c2cn[nH]c2[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)on1 ZINC000019121068 207102124 /nfs/dbraw/zinc/10/21/24/207102124.db2.gz XWCJTRYTUVGYIK-HNNXBMFYSA-N 0 0 376.413 3.038 40 0 GGABRN CC(C)(C)C(=O)N1CCO[C@@](Cc2cccc(-c3ccccc3)c2)(C(N)=O)C1 ZINC000019081468 207102307 /nfs/dbraw/zinc/10/23/07/207102307.db2.gz UVYHOGJPDPSOAQ-HSZRJFAPSA-N 0 0 380.488 3.025 40 0 GGABRN CC(C)(C)C(=O)N1CCO[C@@](Cc2ccc(-c3cccs3)cc2)(C(N)=O)C1 ZINC000019081455 207102528 /nfs/dbraw/zinc/10/25/28/207102528.db2.gz ZDJFMAJKFAINRD-OAQYLSRUSA-N 0 0 386.517 3.087 40 0 GGABRN Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)[C@@H](C)n3cncn3)C2)n1 ZINC000019117610 207102541 /nfs/dbraw/zinc/10/25/41/207102541.db2.gz HMADKLBMSUPDAB-HUUCEWRRSA-N 0 0 382.493 3.072 40 0 GGABRN Cc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)[C@@H](C)n3cncn3)C2)n1 ZINC000019117617 207102688 /nfs/dbraw/zinc/10/26/88/207102688.db2.gz HMADKLBMSUPDAB-CABCVRRESA-N 0 0 382.493 3.072 40 0 GGABRN CC(C)(C)c1cc(C(=O)N2CCC(Oc3cccc(F)c3)CC2)nc2ncnn21 ZINC000019083862 207102914 /nfs/dbraw/zinc/10/29/14/207102914.db2.gz TYVLDUFQFBUEQU-UHFFFAOYSA-N 0 0 397.454 3.245 40 0 GGABRN Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)on1 ZINC000019120714 207102997 /nfs/dbraw/zinc/10/29/97/207102997.db2.gz YITCCQXLWDWUBS-LBPRGKRZSA-N 0 0 398.492 3.123 40 0 GGABRN Cc1nn([C@@H](C)CNC(=O)c2cc3nc(C)cc(C(F)(F)F)n3n2)c(C)c1C ZINC000019116655 207103093 /nfs/dbraw/zinc/10/30/93/207103093.db2.gz HCESESOBDNGGOA-JTQLQIEISA-N 0 0 394.401 3.169 40 0 GGABRN CNC(=O)[C@@]1(Cc2cccc(-c3cccc(F)c3)c2)CN(C(=O)C(C)C)CCO1 ZINC000019085800 207103315 /nfs/dbraw/zinc/10/33/15/207103315.db2.gz VTEOFYNBKIEKBV-HSZRJFAPSA-N 0 0 398.478 3.035 40 0 GGABRN COc1ccc(CC(=O)N2CCC[C@H]2c2[nH]ncc2-c2cc(C)no2)cc1OC ZINC000019121010 207103498 /nfs/dbraw/zinc/10/34/98/207103498.db2.gz SJDIAMPNBHNHHJ-INIZCTEOSA-N 0 0 396.447 3.297 40 0 GGABRN COc1cc(C)ccc1OCC(=O)N1CCC[C@H]1c1ccnc2cc(C)nn21 ZINC000019134273 207103806 /nfs/dbraw/zinc/10/38/06/207103806.db2.gz ASVHKTZVYCYMLA-INIZCTEOSA-N 0 0 380.448 3.097 40 0 GGABRN CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)[C@H](C)c3ccc(C)cc3)ncc2C1 ZINC000019136021 207104068 /nfs/dbraw/zinc/10/40/68/207104068.db2.gz GEOHIAFDSSDAMJ-IIBYNOLFSA-N 0 0 392.503 3.157 40 0 GGABRN Cc1ccc([C@H](C)N2CCN(C(=O)CCN3Cc4ccccc4C3=O)CC2)cc1 ZINC000019136401 207104253 /nfs/dbraw/zinc/10/42/53/207104253.db2.gz ZGCUQGRSWFSHCQ-IBGZPJMESA-N 0 0 391.515 3.246 40 0 GGABRN Cc1ccc([C@@H](C)C(=O)N2CCC[C@]3(C2)CNC(=O)c2ccccc2O3)cc1 ZINC000019136051 207104321 /nfs/dbraw/zinc/10/43/21/207104321.db2.gz HHIPQUNHUPFGBY-UZUQRXQVSA-N 0 0 378.472 3.282 40 0 GGABRN Cc1ccc([C@H](NC(=O)COc2ccc3c(c2)OCO3)c2cccnc2)cc1 ZINC000019136694 207104335 /nfs/dbraw/zinc/10/43/35/207104335.db2.gz NLNCHTVQRQKRAW-QFIPXVFZSA-N 0 0 376.412 3.403 40 0 GGABRN COc1cc(C)ccc1CN1CCCC[C@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019134066 207104527 /nfs/dbraw/zinc/10/45/27/207104527.db2.gz DMRHOIDLAUQONZ-NRFANRHFSA-N 0 0 394.519 3.425 40 0 GGABRN COc1cc(C)ccc1OCC(=O)N1CCCC[C@H]1c1ccnc2cc(C)nn21 ZINC000019134305 207104648 /nfs/dbraw/zinc/10/46/48/207104648.db2.gz CRRUCUPMWOLYOI-KRWDZBQOSA-N 0 0 394.475 3.487 40 0 GGABRN Cc1ccc([C@@H](NC(=O)COc2ccc3c(c2)OCO3)c2cccnc2)cc1 ZINC000019136690 207104720 /nfs/dbraw/zinc/10/47/20/207104720.db2.gz NLNCHTVQRQKRAW-JOCHJYFZSA-N 0 0 376.412 3.403 40 0 GGABRN Cc1cc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)c2ccccn2)on1 ZINC000019121961 207104724 /nfs/dbraw/zinc/10/47/24/207104724.db2.gz MIQWGUBTJDVCLM-KRWDZBQOSA-N 0 0 392.463 3.268 40 0 GGABRN COC(=O)[C@H]1CCCN(c2ncc(-c3cc(C)no3)c(-c3ccoc3C)n2)C1 ZINC000019124084 207104729 /nfs/dbraw/zinc/10/47/29/207104729.db2.gz UDXBGPSYCXVDJW-AWEZNQCLSA-N 0 0 382.420 3.398 40 0 GGABRN COc1cc(C)ccc1CN1CCc2nc(C3CCN(C(C)=O)CC3)ncc2C1 ZINC000019134115 207105003 /nfs/dbraw/zinc/10/50/03/207105003.db2.gz BTLYRMFHKNVUGC-UHFFFAOYSA-N 0 0 394.519 3.078 40 0 GGABRN CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)[C@@H](C)c1ccc(C)cc1)C2 ZINC000019136182 207105248 /nfs/dbraw/zinc/10/52/48/207105248.db2.gz BNYTUJAETNSFDA-HRAATJIYSA-N 0 0 392.503 3.157 40 0 GGABRN CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)[C@H](C)c3ccc(C)cc3)ncc2C1 ZINC000019136028 207105266 /nfs/dbraw/zinc/10/52/66/207105266.db2.gz GEOHIAFDSSDAMJ-IERDGZPVSA-N 0 0 392.503 3.157 40 0 GGABRN CC(=O)C1=NN(c2ccccc2)[C@@](Cc2ccccc2)(N2CCOCC2)S1 ZINC000019205162 207105449 /nfs/dbraw/zinc/10/54/49/207105449.db2.gz LMYQTINPIQXKHB-OAQYLSRUSA-N 0 0 381.501 3.371 40 0 GGABRN Cc1ccc(CNc2nc([C@H]3CC(=O)N(C4CCCCC4)C3)cc(=O)[nH]2)cc1 ZINC000019210425 207105463 /nfs/dbraw/zinc/10/54/63/207105463.db2.gz QAWFVWYEMQZGSN-KRWDZBQOSA-N 0 0 380.492 3.339 40 0 GGABRN Cc1ccc(CC(=O)N[C@@H](c2cc(=O)[nH]c(-c3cccnc3)n2)C(C)C)cc1 ZINC000019209956 207106020 /nfs/dbraw/zinc/10/60/20/207106020.db2.gz LWMRAWRMWGELST-OAQYLSRUSA-N 0 0 376.460 3.196 40 0 GGABRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000019169703 207106214 /nfs/dbraw/zinc/10/62/14/207106214.db2.gz ZGYDRGKCQAVZKQ-QYZOEREBSA-N 0 0 399.853 3.323 40 0 GGABRN Cc1cnn(CC(=O)N[C@@H](CCc2ccccc2)c2ccc3c(c2)OCCO3)c1 ZINC000019239927 207110589 /nfs/dbraw/zinc/11/05/89/207110589.db2.gz CQVZWKLCUNHAIS-FQEVSTJZSA-N 0 0 391.471 3.453 40 0 GGABRN Cc1cc(C(=O)NCCn2c3ccc(C)cc3c(=O)cc2C(F)(F)F)on1 ZINC000019219975 207107150 /nfs/dbraw/zinc/10/71/50/207107150.db2.gz FUAZZSVAQPZYQD-UHFFFAOYSA-N 0 0 379.338 3.055 40 0 GGABRN COc1cc(C(=O)N[C@H](C)c2nnc(-c3ccc(C)cc3)[nH]2)cc(OC)c1OC ZINC000019212990 207107160 /nfs/dbraw/zinc/10/71/60/207107160.db2.gz DLCWLFOXDFONII-CYBMUJFWSA-N 0 0 396.447 3.297 40 0 GGABRN Cc1ccc(C(=O)N(C)Cc2nc(N(C)C)ncc2-c2onc(C)c2C)s1 ZINC000019216803 207107376 /nfs/dbraw/zinc/10/73/76/207107376.db2.gz JGPMELFSAKHLOW-UHFFFAOYSA-N 0 0 385.493 3.457 40 0 GGABRN Cc1nc(C)n([C@@H](C)CC(=O)N2CCC3(CC2)CC(=O)c2cc(C)ccc2O3)n1 ZINC000019218139 207107530 /nfs/dbraw/zinc/10/75/30/207107530.db2.gz QQGDZVIFFKKLPA-HNNXBMFYSA-N 0 0 396.491 3.181 40 0 GGABRN CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)c1ccc(C)s1)C2 ZINC000019217044 207107744 /nfs/dbraw/zinc/10/77/44/207107744.db2.gz YJIRPVNIDSEFHE-KRWDZBQOSA-N 0 0 384.505 3.119 40 0 GGABRN Cc1ccc(-c2cccc(C[C@]3(C(N)=O)CN(C(=O)C4CCC4)CCO3)c2)cc1 ZINC000019212643 207107815 /nfs/dbraw/zinc/10/78/15/207107815.db2.gz BPHIQUYRDPHCCQ-XMMPIXPASA-N 0 0 392.499 3.088 40 0 GGABRN Cc1nn(CC(=O)N2CCC3(CC2)CC(=O)c2cc(C)ccc2O3)c(C)c1C ZINC000019218226 207108000 /nfs/dbraw/zinc/10/80/00/207108000.db2.gz PPCJFRWHHHEQSP-UHFFFAOYSA-N 0 0 381.476 3.143 40 0 GGABRN Cc1ccc(CN(CCCN2CCOCC2)Cc2coc3ccccc3c2=O)o1 ZINC000019216469 207108179 /nfs/dbraw/zinc/10/81/79/207108179.db2.gz MKPNTXPOINIHJE-UHFFFAOYSA-N 0 0 396.487 3.419 40 0 GGABRN Cc1cccc(CC(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccnc(N(C)C)n2)c1 ZINC000019234693 207108668 /nfs/dbraw/zinc/10/86/68/207108668.db2.gz QDXSEJGMEADYGD-IBGZPJMESA-N 0 0 390.491 3.147 40 0 GGABRN COC[C@H](C)N(Cc1cccc(C)c1)C(=O)c1cc(-c2cnn(C)c2C)on1 ZINC000019234916 207108848 /nfs/dbraw/zinc/10/88/48/207108848.db2.gz WMWBQCIREFODGO-HNNXBMFYSA-N 0 0 382.464 3.369 40 0 GGABRN Cc1cccc(C)c1Nc1noc2c1CN(C(=O)c1ccc(C)n(C)c1=O)CC2 ZINC000019235797 207108898 /nfs/dbraw/zinc/10/88/98/207108898.db2.gz KREQWXSLWRVBNT-UHFFFAOYSA-N 0 0 392.459 3.241 40 0 GGABRN Cc1cccc(-c2ccc(C[C@@H]3CN(C(=O)c4ccccn4)CCNC3=O)cc2)c1 ZINC000019235417 207109153 /nfs/dbraw/zinc/10/91/53/207109153.db2.gz SZWZWGCMZRTVPS-JOCHJYFZSA-N 0 0 399.494 3.488 40 0 GGABRN CNc1cc(C[C@@H](NC(=O)c2ncc[nH]2)c2cccc(C)c2)nc(C2CC2)n1 ZINC000019234485 207109270 /nfs/dbraw/zinc/10/92/70/207109270.db2.gz UQOFYYLVYYCZQZ-QGZVFWFLSA-N 0 0 376.464 3.141 40 0 GGABRN CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(CCOc1cccc(C)c1)C2 ZINC000019235199 207109423 /nfs/dbraw/zinc/10/94/23/207109423.db2.gz RLTSJWWXFZCINF-QFIPXVFZSA-N 0 0 394.519 3.296 40 0 GGABRN COC[C@@H](C)N(Cc1cccc(C)c1)S(=O)(=O)c1cn(C(F)F)nc1C ZINC000019234926 207109447 /nfs/dbraw/zinc/10/94/47/207109447.db2.gz RPKXDNGMPVZZKY-CYBMUJFWSA-N 0 0 387.452 3.121 40 0 GGABRN Cc1cccc(CN2CCCN(C(=O)CCc3ccc4c(c3)C[C@@H](C)O4)CC2)n1 ZINC000019236268 207109729 /nfs/dbraw/zinc/10/97/29/207109729.db2.gz PJCMZHHJZLGJED-LJQANCHMSA-N 0 0 393.531 3.381 40 0 GGABRN Cc1csc2ncc(C(=O)N(Cc3cccnc3)C3CCCCC3)c(=O)n12 ZINC000019240344 207111283 /nfs/dbraw/zinc/11/12/83/207111283.db2.gz LHMAIXJCTZMSKZ-UHFFFAOYSA-N 0 0 382.489 3.435 40 0 GGABRN Cc1cnccc1-c1cnc(C)nc1[C@H]1CCCCN1C(=O)c1ccnn1C ZINC000019239777 207111475 /nfs/dbraw/zinc/11/14/75/207111475.db2.gz ACPDXWOXTFFHHC-GOSISDBHSA-N 0 0 376.464 3.256 40 0 GGABRN Cc1cnc(-c2nnc([C@H]3CCN(C(=O)c4ccc5ccccc5n4)C3)o2)cn1 ZINC000019239169 207111607 /nfs/dbraw/zinc/11/16/07/207111607.db2.gz FQZJKCCDWWYNBQ-HNNXBMFYSA-N 0 0 386.415 3.013 40 0 GGABRN Cc1cnn(CCC(=O)N2CCCC[C@@H]2c2nn(C)cc2-c2onc(C)c2C)c1 ZINC000019239997 207111868 /nfs/dbraw/zinc/11/18/68/207111868.db2.gz BXCWBTGINOYJNC-GOSISDBHSA-N 0 0 396.495 3.341 40 0 GGABRN Cc1cnn(CCC(=O)N2CCCC[C@H]2c2nn(C)cc2-c2onc(C)c2C)c1 ZINC000019239998 207111995 /nfs/dbraw/zinc/11/19/95/207111995.db2.gz BXCWBTGINOYJNC-SFHVURJKSA-N 0 0 396.495 3.341 40 0 GGABRN Cc1cnc(-c2nnc([C@@H]3CCN(C(=O)c4ccc5ccccc5n4)C3)o2)cn1 ZINC000019239168 207112149 /nfs/dbraw/zinc/11/21/49/207112149.db2.gz FQZJKCCDWWYNBQ-OAHLLOKOSA-N 0 0 386.415 3.013 40 0 GGABRN Cn1nc(C2CC2)cc1C(=O)N1CCC[C@]2(CCC(=O)N2)[C@H]1c1ccc(F)cc1 ZINC000019288831 207112398 /nfs/dbraw/zinc/11/23/98/207112398.db2.gz QTHWHWCWKKKMCP-IRLDBZIGSA-N 0 0 396.466 3.063 40 0 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C[C@@]12CCC(=O)N1CCCN2Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000019461771 207123979 /nfs/dbraw/zinc/12/39/79/207123979.db2.gz APCMYCJQYUYNDK-KRWDZBQOSA-N 0 0 380.370 3.300 40 0 GGABRN CC(C)n1nccc1NC(=O)C1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000019454597 207124112 /nfs/dbraw/zinc/12/41/12/207124112.db2.gz AVXSQGRQNVCYQA-UHFFFAOYSA-N 0 0 382.464 3.154 40 0 GGABRN CC(C)c1nc2c(c(N3CCOCC3)n1)CCN(Cc1c(F)cccc1F)C2 ZINC000019453665 207124187 /nfs/dbraw/zinc/12/41/87/207124187.db2.gz JJEBYAXSQOQWFH-UHFFFAOYSA-N 0 0 388.462 3.273 40 0 GGABRN C[C@@H](Cc1cccs1)C(=O)N1CC[C@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 ZINC000019457122 207124209 /nfs/dbraw/zinc/12/42/09/207124209.db2.gz SFPGGGHTGYNVRD-HOCLYGCPSA-N 0 0 394.500 3.088 40 0 GGABRN CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(C)cc3)=NO2)CCCN(C(=O)CC)C1 ZINC000019498554 207124566 /nfs/dbraw/zinc/12/45/66/207124566.db2.gz SOYHQGHKRDTXNR-GCJKJVERSA-N 0 0 386.492 3.460 40 0 GGABRN CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)CC)C1 ZINC000019498626 207124573 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Cc1nnc(N2CCC[C@@H]2c2nc(C)c3c(n2)N(C)C(=O)CC3)c2ccccc12 ZINC000019741951 207157858 /nfs/dbraw/zinc/15/78/58/207157858.db2.gz ZDDKICJQNIXHBX-GOSISDBHSA-N 0 0 388.475 3.287 40 0 GGABRN CC(C)c1csc(NC(=O)[C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000019748055 207158048 /nfs/dbraw/zinc/15/80/48/207158048.db2.gz BPYYJBMVRUXIEB-GFCCVEGCSA-N 0 0 397.497 3.055 40 0 GGABRN Cc1[nH]c2cccc(C(=O)N3CCO[C@H](C(=O)N4CCCCCC4)C3)c2c1C ZINC000019747367 207158394 /nfs/dbraw/zinc/15/83/94/207158394.db2.gz GNVMNSRMYMOZRN-IBGZPJMESA-N 0 0 383.492 3.028 40 0 GGABRN Cc1cc2ncc(CN(C)C)c([C@@H]3CCCN3C(=O)Cc3ccccc3)n2n1 ZINC000019743554 207158451 /nfs/dbraw/zinc/15/84/51/207158451.db2.gz GWRFRHGWHBDBER-IBGZPJMESA-N 0 0 377.492 3.006 40 0 GGABRN Cn1cc(C(=O)NC2CCCC2)c(CC2CCN(C(=O)[C@@H]3CC34CCC4)CC2)n1 ZINC000019756524 207158807 /nfs/dbraw/zinc/15/88/07/207158807.db2.gz ZGQWKCOYWGCMHT-IBGZPJMESA-N 0 0 398.551 3.064 40 0 GGABRN Nc1nc(C2CCN(C(=O)c3ccccc3)CC2)ccc1C(=O)NC1CCCC1 ZINC000019753926 207158941 /nfs/dbraw/zinc/15/89/41/207158941.db2.gz PTOVUZONJBBNCL-UHFFFAOYSA-N 0 0 392.503 3.356 40 0 GGABRN CNC(=O)c1cc([C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)nc2ccccc21 ZINC000019754675 207159019 /nfs/dbraw/zinc/15/90/19/207159019.db2.gz VCLWSJOCQHACGD-MRXNPFEDSA-N 0 0 391.446 3.292 40 0 GGABRN Cc1nc(C2CCN(C(=O)c3cccnc3)CC2)nc2c1CCCN2CC1CC1 ZINC000019753030 207159174 /nfs/dbraw/zinc/15/91/74/207159174.db2.gz PGKKVWHYNOSEFQ-UHFFFAOYSA-N 0 0 391.519 3.362 40 0 GGABRN Cc1nc([C@H]2CCCCN2Cc2ccc(F)cc2)ncc1C(=O)N1CCOCC1 ZINC000019751875 207159184 /nfs/dbraw/zinc/15/91/84/207159184.db2.gz XRWABNWYIHEXKR-HXUWFJFHSA-N 0 0 398.482 3.124 40 0 GGABRN Cc1nc([C@H]2CCCCN2C(=O)COc2ccc(F)cc2)nc2c1CCCN2C ZINC000019752559 207159200 /nfs/dbraw/zinc/15/92/00/207159200.db2.gz XEHGBOJIXLSWIG-LJQANCHMSA-N 0 0 398.482 3.439 40 0 GGABRN Cc1ncsc1C(=O)N[C@H]1CCCN(C(=O)CCc2ccc(F)cc2)CC1 ZINC000019749726 207159401 /nfs/dbraw/zinc/15/94/01/207159401.db2.gz MXHJQUYLWCWADV-KRWDZBQOSA-N 0 0 389.496 3.334 40 0 GGABRN CCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(CC1CCOCC1)CCC2 ZINC000019752526 207159440 /nfs/dbraw/zinc/15/94/40/207159440.db2.gz DRYRFBGBRLOHQG-IBGZPJMESA-N 0 0 386.540 3.428 40 0 GGABRN Cc1nc2cc(C(=O)N3CCC[C@@H](NC(=O)c4scnc4C)CC3)ccc2[nH]1 ZINC000019749184 207159469 /nfs/dbraw/zinc/15/94/69/207159469.db2.gz ONRBRJDDWTYNGR-OAHLLOKOSA-N 0 0 397.504 3.061 40 0 GGABRN COc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000019842669 207166247 /nfs/dbraw/zinc/16/62/47/207166247.db2.gz MZRMFRVEQBBGJK-UHFFFAOYSA-N 0 0 386.517 3.206 40 0 GGABRN CCOC(=O)c1c2c(sc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1)C[C@@H](C)CC2 ZINC000019884691 207167635 /nfs/dbraw/zinc/16/76/35/207167635.db2.gz MWWKQCJEPUCPQL-BFHYXJOUSA-N 0 0 394.537 3.097 40 0 GGABRN COc1ccc([C@@H]2CC(=O)c3cn4nc(C(F)(F)F)nc4nc3C2)cc1OC ZINC000019816481 207162324 /nfs/dbraw/zinc/16/23/24/207162324.db2.gz VMOHSQDOIYRLCE-JTQLQIEISA-N 0 0 392.337 3.073 40 0 GGABRN COc1ccc(NC(=O)c2nnc3c(-c4ccc(F)cc4)cnn3c2C)cc1 ZINC000019817131 207164152 /nfs/dbraw/zinc/16/41/52/207164152.db2.gz NSMSGYZVAVVRKR-UHFFFAOYSA-N 0 0 377.379 3.500 40 0 GGABRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000019819028 207164253 /nfs/dbraw/zinc/16/42/53/207164253.db2.gz ZWIHIZIKIHIXEW-GOSISDBHSA-N 0 0 394.427 3.134 40 0 GGABRN COc1cccc(NC(=O)c2nnc3c(-c4ccc(F)cc4)cnn3c2C)c1 ZINC000019817141 207164993 /nfs/dbraw/zinc/16/49/93/207164993.db2.gz NTQPEFNLYUYZNP-UHFFFAOYSA-N 0 0 377.379 3.500 40 0 GGABRN COc1ccccc1-n1ccc2c(nnc3c(-c4ccccc4)c(C)nn32)c1=O ZINC000019818907 207165259 /nfs/dbraw/zinc/16/52/59/207165259.db2.gz NOBLQQMMCZTSFN-UHFFFAOYSA-N 0 0 383.411 3.412 40 0 GGABRN COc1ccccc1NC(=O)c1nnc2c(-c3ccc(F)cc3)cnn2c1C ZINC000019817013 207165263 /nfs/dbraw/zinc/16/52/63/207165263.db2.gz YXLBXUIORLPJHZ-UHFFFAOYSA-N 0 0 377.379 3.500 40 0 GGABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000020030165 207174860 /nfs/dbraw/zinc/17/48/60/207174860.db2.gz ZAFWLOVTGQRAGO-GFCCVEGCSA-N 0 0 396.896 3.235 40 0 GGABRN CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(F)ccc2C)cc1 ZINC000020024250 207175079 /nfs/dbraw/zinc/17/50/79/207175079.db2.gz AYBJLLPEWJTZIX-UHFFFAOYSA-N 0 0 378.469 3.394 40 0 GGABRN CNC(=O)c1cc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)ccc1OC ZINC000020037500 207175120 /nfs/dbraw/zinc/17/51/20/207175120.db2.gz NZFYAFQKIHUCSW-GOSISDBHSA-N 0 0 390.505 3.121 40 0 GGABRN CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(F)ccc2F)cc1 ZINC000020024243 207175252 /nfs/dbraw/zinc/17/52/52/207175252.db2.gz QXKBKTMMISRUAA-UHFFFAOYSA-N 0 0 382.432 3.224 40 0 GGABRN CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1)c1ccc(OC)cc1 ZINC000020047379 207175448 /nfs/dbraw/zinc/17/54/48/207175448.db2.gz CRNUBIGPMALGFI-LJQANCHMSA-N 0 0 390.505 3.362 40 0 GGABRN CC[C@H](NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000020044557 207175488 /nfs/dbraw/zinc/17/54/88/207175488.db2.gz KKVIVABRDVFBTQ-IBGZPJMESA-N 0 0 390.505 3.037 40 0 GGABRN CC[C@H](NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000020050896 207175491 /nfs/dbraw/zinc/17/54/91/207175491.db2.gz LFDLNWVUTIKWLX-SFHVURJKSA-N 0 0 390.505 3.037 40 0 GGABRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000020062776 207175699 /nfs/dbraw/zinc/17/56/99/207175699.db2.gz RDWBADOYHCRKQA-UHFFFAOYSA-N 0 0 390.530 3.470 40 0 GGABRN CC(C)CCNC(=O)C1=C(c2ccccc2)c2ccccc2N(C)S1(=O)=O ZINC000020063448 207175837 /nfs/dbraw/zinc/17/58/37/207175837.db2.gz HKISVIHQAJVDLV-UHFFFAOYSA-N 0 0 384.501 3.388 40 0 GGABRN CN(C(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)C1CCCC1 ZINC000020042827 207175863 /nfs/dbraw/zinc/17/58/63/207175863.db2.gz DPUXYVZYRYPUGD-UHFFFAOYSA-N 0 0 392.565 3.062 40 0 GGABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000020048500 207175879 /nfs/dbraw/zinc/17/58/79/207175879.db2.gz BKMVHIGIIZSCMW-MRXNPFEDSA-N 0 0 390.505 3.037 40 0 GGABRN CC[C@@H](C(=O)NCc1ccc(F)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000020044530 207176005 /nfs/dbraw/zinc/17/60/05/207176005.db2.gz JKDYKKQSEGQVIE-KRWDZBQOSA-N 0 0 398.887 3.340 40 0 GGABRN COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000020050608 207176110 /nfs/dbraw/zinc/17/61/10/207176110.db2.gz UETCFCUMZPKLFY-UHFFFAOYSA-N 0 0 384.251 3.178 40 0 GGABRN CC[C@@H](NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O)c1ccccc1 ZINC000020043023 207176126 /nfs/dbraw/zinc/17/61/26/207176126.db2.gz PYQAQJUFHJENHU-QGZVFWFLSA-N 0 0 390.505 3.037 40 0 GGABRN O=C(NC[C@H]1CCCO1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020048694 207176234 /nfs/dbraw/zinc/17/62/34/207176234.db2.gz OKUQVFOHXNYNIW-CQSZACIVSA-N 0 0 394.880 3.050 40 0 GGABRN Cc1cccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)c1C ZINC000020043012 207176327 /nfs/dbraw/zinc/17/63/27/207176327.db2.gz PEWAHEWTSWRUQM-LJQANCHMSA-N 0 0 386.517 3.263 40 0 GGABRN O=C(CCN1CCOCC1)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000020052126 207176356 /nfs/dbraw/zinc/17/63/56/207176356.db2.gz QVUNZUALTBMNRZ-HNNXBMFYSA-N 0 0 375.519 3.210 40 0 GGABRN Cc1ccc(CN(C)C(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000020047014 207176517 /nfs/dbraw/zinc/17/65/17/207176517.db2.gz XBAHGENBZYMIMI-SFHVURJKSA-N 0 0 388.533 3.425 40 0 GGABRN C[C@@H](NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(F)cc1 ZINC000020049418 207176591 /nfs/dbraw/zinc/17/65/91/207176591.db2.gz VDORUYAAFMPQOZ-GFCCVEGCSA-N 0 0 384.860 3.123 40 0 GGABRN C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)C1 ZINC000020105563 207177010 /nfs/dbraw/zinc/17/70/10/207177010.db2.gz IWGJEEAZYSDPAX-OAHLLOKOSA-N 0 0 398.956 3.140 40 0 GGABRN COc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3)cc2)cc1Cl ZINC000020107700 207177740 /nfs/dbraw/zinc/17/77/40/207177740.db2.gz FWZYWIURTXXCQJ-UHFFFAOYSA-N 0 0 377.853 3.013 40 0 GGABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCSCc2ccccc2)c1 ZINC000020108697 207178012 /nfs/dbraw/zinc/17/80/12/207178012.db2.gz YBUMCMMVUASTBE-UHFFFAOYSA-N 0 0 398.937 3.375 40 0 GGABRN CC[C@@H](NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1)c1ccccc1 ZINC000020110133 207178435 /nfs/dbraw/zinc/17/84/35/207178435.db2.gz WQTZDAKGKRGJOZ-QGZVFWFLSA-N 0 0 388.489 3.252 40 0 GGABRN CCOc1cccc(CNS(=O)(=O)Cc2ccc(Br)cc2)c1 ZINC000020111705 207178667 /nfs/dbraw/zinc/17/86/67/207178667.db2.gz WERKJUDPDOKMFL-UHFFFAOYSA-N 0 0 384.295 3.467 40 0 GGABRN O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NC1CCCCC1 ZINC000019868983 207168976 /nfs/dbraw/zinc/16/89/76/207168976.db2.gz QISYYZRKVWOOSK-UHFFFAOYSA-N 0 0 388.464 3.450 40 0 GGABRN C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)c1cccc(Br)c1 ZINC000019936493 207170929 /nfs/dbraw/zinc/17/09/29/207170929.db2.gz ALSLGXKUBXRETF-SECBINFHSA-N 0 0 397.250 3.335 40 0 GGABRN COCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(C)c1C ZINC000019931750 207171021 /nfs/dbraw/zinc/17/10/21/207171021.db2.gz WVSFIUBDSUCGAG-QGZVFWFLSA-N 0 0 384.476 3.476 40 0 GGABRN O=C(Nc1ccc(F)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000019934029 207171045 /nfs/dbraw/zinc/17/10/45/207171045.db2.gz DFZGXKCYXDGWBA-UHFFFAOYSA-N 0 0 376.453 3.394 40 0 GGABRN O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1ccc2c(c1)OCCO2 ZINC000019937648 207171125 /nfs/dbraw/zinc/17/11/25/207171125.db2.gz HWRJLMIAKOWDRQ-UHFFFAOYSA-N 0 0 397.818 3.043 40 0 GGABRN COc1ccc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cc1OC ZINC000019937646 207171441 /nfs/dbraw/zinc/17/14/41/207171441.db2.gz PXIOILAWLOGFLO-UHFFFAOYSA-N 0 0 399.834 3.289 40 0 GGABRN O=C(Nc1ccc(F)cc1F)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000019935628 207171629 /nfs/dbraw/zinc/17/16/29/207171629.db2.gz DLNDPQMPCYHTDW-UHFFFAOYSA-N 0 0 384.379 3.141 40 0 GGABRN CCN(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929644 207171648 /nfs/dbraw/zinc/17/16/48/207171648.db2.gz BUCGGZDUJIMJIU-UHFFFAOYSA-N 0 0 390.505 3.270 40 0 GGABRN COc1ccc(OC)c(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)c1 ZINC000019937645 207171752 /nfs/dbraw/zinc/17/17/52/207171752.db2.gz BBGZWRVOEABRKI-UHFFFAOYSA-N 0 0 399.834 3.289 40 0 GGABRN COc1cc(NC(=O)c2cnc(-c3ccccc3)[nH]c2=O)c(OC)cc1Cl ZINC000019937321 207171779 /nfs/dbraw/zinc/17/17/79/207171779.db2.gz USYIVVOWCPXJLS-UHFFFAOYSA-N 0 0 385.807 3.360 40 0 GGABRN CCN(CC(=O)Nc1cc(F)ccc1C)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019930010 207172155 /nfs/dbraw/zinc/17/21/55/207172155.db2.gz 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/nfs/dbraw/zinc/20/92/16/207209216.db2.gz JWDMBCHRBYVDOQ-CQSZACIVSA-N 0 0 378.432 3.209 40 0 GGABRN COc1ccc2nc(NC3=NCN(Cc4ccccc4Cl)CN3)nc(C)c2c1 ZINC000020634255 207209538 /nfs/dbraw/zinc/20/95/38/207209538.db2.gz CFUGXCGUMLVYQX-UHFFFAOYSA-N 0 0 396.882 3.389 40 0 GGABRN c1ccc(CN2CN=C3NC4(CCCCC4)n4c5ccccc5nc4N3C2)nc1 ZINC000020676477 207209823 /nfs/dbraw/zinc/20/98/23/207209823.db2.gz IEBOTZQHBGBWDB-UHFFFAOYSA-N 0 0 387.491 3.245 40 0 GGABRN O=c1c2cnc3nc(-c4cccnc4)nn3c2ccn1Cc1ccc(Cl)cc1 ZINC000020674489 207210531 /nfs/dbraw/zinc/21/05/31/207210531.db2.gz BKRVXJKGUNMIKR-UHFFFAOYSA-N 0 0 388.818 3.203 40 0 GGABRN CCc1nn2c(nc(CSc3nnc(-c4cccs4)o3)cc2=O)s1 ZINC000021524461 207229932 /nfs/dbraw/zinc/22/99/32/207229932.db2.gz TTWQKHXYYKKRJU-UHFFFAOYSA-N 0 0 377.476 3.117 40 0 GGABRN Cc1csc2nc(COC(=O)c3ccccc3NC(=O)C(C)C)cc(=O)n12 ZINC000021633150 207231972 /nfs/dbraw/zinc/23/19/72/207231972.db2.gz CFCTXSKHVGBJMW-UHFFFAOYSA-N 0 0 385.445 3.016 40 0 GGABRN CCC(CC)C(=O)Nc1cccc(C(=O)OCc2cc(=O)n3ccsc3n2)c1 ZINC000021632696 207232078 /nfs/dbraw/zinc/23/20/78/207232078.db2.gz KGNNQBWYGBPEPI-UHFFFAOYSA-N 0 0 399.472 3.488 40 0 GGABRN CCCC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3c(C)csc3n2)cc1 ZINC000021632844 207232498 /nfs/dbraw/zinc/23/24/98/207232498.db2.gz PGLBLWBPLDNQPD-UHFFFAOYSA-N 0 0 385.445 3.160 40 0 GGABRN Cc1csc2nc(COC(=O)c3cccc(NC(=O)CC(C)C)c3)cc(=O)n12 ZINC000021633048 207232592 /nfs/dbraw/zinc/23/25/92/207232592.db2.gz OZYSFKXZMXPUAH-UHFFFAOYSA-N 0 0 399.472 3.406 40 0 GGABRN Cc1cc(Cl)c(C)c(S(=O)(=O)NCCCOC[C@H]2CCCO2)c1Cl ZINC000021699923 207234910 /nfs/dbraw/zinc/23/49/10/207234910.db2.gz WHXLQPKXDTUHKM-CYBMUJFWSA-N 0 0 396.336 3.474 40 0 GGABRN Cc1noc(-c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 ZINC000021792162 207237976 /nfs/dbraw/zinc/23/79/76/207237976.db2.gz CBIKALFYHAHJQG-OAHLLOKOSA-N 0 0 376.416 3.345 40 0 GGABRN Cc1noc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)cc2)n1 ZINC000021792457 207238294 /nfs/dbraw/zinc/23/82/94/207238294.db2.gz DFCBACOPDDXWON-QGZVFWFLSA-N 0 0 376.416 3.032 40 0 GGABRN CCc1noc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)cc2)n1 ZINC000021792504 207238303 /nfs/dbraw/zinc/23/83/03/207238303.db2.gz FHCHCLKMONAXIE-QGZVFWFLSA-N 0 0 390.443 3.286 40 0 GGABRN CC(C)c1ccccc1N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O ZINC000022389019 207253739 /nfs/dbraw/zinc/25/37/39/207253739.db2.gz NVUGHBGWHFZYSA-UHFFFAOYSA-N 0 0 386.583 3.224 40 0 GGABRN CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCc1ccccc1Cn1cccn1 ZINC000021973235 207245132 /nfs/dbraw/zinc/24/51/32/207245132.db2.gz KLSGKMVIYGSOEH-IBGZPJMESA-N 0 0 396.516 3.064 40 0 GGABRN O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000022039414 207246403 /nfs/dbraw/zinc/24/64/03/207246403.db2.gz GOXYDWKYVOETKT-VMPITWQZSA-N 0 0 375.516 3.445 40 0 GGABRN Cc1ccc(CCC2CCN(C(=O)CNC(=O)COc3ccccc3)CC2)cc1 ZINC000022068550 207247073 /nfs/dbraw/zinc/24/70/73/207247073.db2.gz RIFFJTKXCBZCCY-UHFFFAOYSA-N 0 0 394.515 3.361 40 0 GGABRN O=C(Cc1coc(-c2ccccc2)n1)OCC(=O)N1CCc2sccc2C1 ZINC000022135623 207248122 /nfs/dbraw/zinc/24/81/22/207248122.db2.gz ZRYDYGXGTAXGBC-UHFFFAOYSA-N 0 0 382.441 3.074 40 0 GGABRN CCCOc1ccc(N(CC(=O)Nc2cccc(C)c2C)S(C)(=O)=O)cc1 ZINC000022383334 207253598 /nfs/dbraw/zinc/25/35/98/207253598.db2.gz KDGBMWIHBDMLPW-UHFFFAOYSA-N 0 0 390.505 3.497 40 0 GGABRN O=C(COC(=O)CCc1ccsc1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000022156339 207248874 /nfs/dbraw/zinc/24/88/74/207248874.db2.gz GTMDDQJWPONEDS-UHFFFAOYSA-N 0 0 390.852 3.097 40 0 GGABRN O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1cccs1 ZINC000022227116 207249775 /nfs/dbraw/zinc/24/97/75/207249775.db2.gz JIWSZVPVNOPWAD-UHFFFAOYSA-N 0 0 392.546 3.332 40 0 GGABRN CCn1cc(C(=O)Nc2ccccc2C(=O)OC)c(=O)c2cc(OC)ccc21 ZINC000022235865 207249820 /nfs/dbraw/zinc/24/98/20/207249820.db2.gz PYDZYJUNSNUSEF-UHFFFAOYSA-N 0 0 380.400 3.069 40 0 GGABRN CN(c1ccc(OCC(=O)Nc2cccc3ccccc32)cc1)S(C)(=O)=O ZINC000022230515 207249835 /nfs/dbraw/zinc/24/98/35/207249835.db2.gz TZXKHRBXDNASMI-UHFFFAOYSA-N 0 0 384.457 3.253 40 0 GGABRN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cn(C)c3ccccc3c2=O)CC1 ZINC000022234212 207249871 /nfs/dbraw/zinc/24/98/71/207249871.db2.gz SVVLZNYJGVPGGX-UHFFFAOYSA-N 0 0 395.890 3.463 40 0 GGABRN O=C(c1cn2c3c(cccc3c1=O)CCC2)N1CCN(c2ccc(F)cc2)CC1 ZINC000022235417 207249907 /nfs/dbraw/zinc/24/99/07/207249907.db2.gz HPQFZDBTRCOEAB-UHFFFAOYSA-N 0 0 391.446 3.049 40 0 GGABRN CCn1cc(C(=O)NCc2ccc(OC)c(OC)c2)c(=O)c2cc(C)ccc21 ZINC000022234805 207249985 /nfs/dbraw/zinc/24/99/85/207249985.db2.gz QNMUQYVJNMEXBO-UHFFFAOYSA-N 0 0 380.444 3.277 40 0 GGABRN CCn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)c2cc(C)ccc21 ZINC000022234685 207249993 /nfs/dbraw/zinc/24/99/93/207249993.db2.gz RBCXPZBDYOSXPD-UHFFFAOYSA-N 0 0 393.462 3.431 40 0 GGABRN COc1ccc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1OC ZINC000022276856 207250380 /nfs/dbraw/zinc/25/03/80/207250380.db2.gz UQWNJJCFNZPYJN-UHFFFAOYSA-N 0 0 393.505 3.359 40 0 GGABRN O=C(NCCCN1CCOCC1)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258287 207250534 /nfs/dbraw/zinc/25/05/34/207250534.db2.gz OAVFARBSNSMGKJ-UHFFFAOYSA-N 0 0 388.895 3.371 40 0 GGABRN CCOc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C ZINC000022250732 207250609 /nfs/dbraw/zinc/25/06/09/207250609.db2.gz CGZUKCZXRLZTHZ-UHFFFAOYSA-N 0 0 382.460 3.080 40 0 GGABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000022251545 207250677 /nfs/dbraw/zinc/25/06/77/207250677.db2.gz GHVINDWFQQVPJD-UHFFFAOYSA-N 0 0 386.832 3.136 40 0 GGABRN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(F)cc2)c(C)c1 ZINC000022271789 207250844 /nfs/dbraw/zinc/25/08/44/207250844.db2.gz UIRLZHAFQBGBCY-MRXNPFEDSA-N 0 0 392.496 3.249 40 0 GGABRN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1ccnn1C(C)C ZINC000022290606 207250925 /nfs/dbraw/zinc/25/09/25/207250925.db2.gz PXLLKZASTXGNJV-UHFFFAOYSA-N 0 0 395.389 3.109 40 0 GGABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3[C@@H](C)CCC[C@@H]3C)C2)cc1 ZINC000022258840 207251020 /nfs/dbraw/zinc/25/10/20/207251020.db2.gz BWHVGAHEYOCFDE-OKZBNKHCSA-N 0 0 378.538 3.185 40 0 GGABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccc(C)cc1 ZINC000022252605 207251065 /nfs/dbraw/zinc/25/10/65/207251065.db2.gz WTUSEQGAKCCVEZ-UHFFFAOYSA-N 0 0 392.477 3.050 40 0 GGABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC3=CCCCC3)C2)cc1 ZINC000022258935 207251069 /nfs/dbraw/zinc/25/10/69/207251069.db2.gz VWTOCCDBBAMRCL-SFHVURJKSA-N 0 0 376.522 3.012 40 0 GGABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC3=CCCCC3)C2)cc1 ZINC000022258931 207251253 /nfs/dbraw/zinc/25/12/53/207251253.db2.gz VWTOCCDBBAMRCL-GOSISDBHSA-N 0 0 376.522 3.012 40 0 GGABRN COc1ccc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)cc1OC ZINC000022240205 207251268 /nfs/dbraw/zinc/25/12/68/207251268.db2.gz QOXVPCYJXCVANM-UHFFFAOYSA-N 0 0 389.473 3.429 40 0 GGABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c(C)c1 ZINC000022335420 207251698 /nfs/dbraw/zinc/25/16/98/207251698.db2.gz LRYSWCSUGWZGBC-HNNXBMFYSA-N 0 0 378.469 3.086 40 0 GGABRN Cc1ccc(C)c([C@H](C)NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 ZINC000022373037 207251725 /nfs/dbraw/zinc/25/17/25/207251725.db2.gz JCBVNGFQKWFPGT-AWEZNQCLSA-N 0 0 396.459 3.225 40 0 GGABRN Cc1ccc([C@H](C)NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c(C)c1 ZINC000022363476 207252186 /nfs/dbraw/zinc/25/21/86/207252186.db2.gz MHDHLGIINUAOGN-HNNXBMFYSA-N 0 0 378.469 3.086 40 0 GGABRN Cc1cc(C)cc(NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 ZINC000022379544 207252473 /nfs/dbraw/zinc/25/24/73/207252473.db2.gz HQZHJINYPPKSPU-UHFFFAOYSA-N 0 0 390.505 3.495 40 0 GGABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1C ZINC000022335423 207252550 /nfs/dbraw/zinc/25/25/50/207252550.db2.gz FBGIDZDQUZSYGK-OAHLLOKOSA-N 0 0 378.469 3.086 40 0 GGABRN CC(=O)NCCC(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 ZINC000022372660 207252584 /nfs/dbraw/zinc/25/25/84/207252584.db2.gz BMECJSVSOCELPL-UHFFFAOYSA-N 0 0 382.283 3.346 40 0 GGABRN Cc1ccc(NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)c(C)c1 ZINC000022379171 207252702 /nfs/dbraw/zinc/25/27/02/207252702.db2.gz XXKSUCPRJUPTMT-UHFFFAOYSA-N 0 0 390.505 3.495 40 0 GGABRN Cc1cccc(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000022327245 207252769 /nfs/dbraw/zinc/25/27/69/207252769.db2.gz KIYZCKQHUQVGHM-UHFFFAOYSA-N 0 0 394.924 3.163 40 0 GGABRN CCc1ccccc1NC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O ZINC000022379798 207253024 /nfs/dbraw/zinc/25/30/24/207253024.db2.gz NRAVDIMDBVWDTG-UHFFFAOYSA-N 0 0 390.505 3.441 40 0 GGABRN CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc2ccccc2c1 ZINC000022394265 207253244 /nfs/dbraw/zinc/25/32/44/207253244.db2.gz SMKGGRVOCDRLAQ-UHFFFAOYSA-N 0 0 380.469 3.050 40 0 GGABRN CCOc1ccc(NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 ZINC000022381330 207253274 /nfs/dbraw/zinc/25/32/74/207253274.db2.gz OKFUDLQQCWXVBK-UHFFFAOYSA-N 0 0 390.505 3.415 40 0 GGABRN Cc1ccc(-c2csc(S[C@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)n2)cc1 ZINC000022389737 207253352 /nfs/dbraw/zinc/25/33/52/207253352.db2.gz MDOCMEAVKLAVGF-HIFRSBDPSA-N 0 0 389.546 3.323 40 0 GGABRN Cc1cc(C)c(N(CC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)c(C)c1 ZINC000022389815 207253367 /nfs/dbraw/zinc/25/33/67/207253367.db2.gz NDMXCAQVUJYKSY-UHFFFAOYSA-N 0 0 382.432 3.295 40 0 GGABRN CCOC(=O)Nc1cccc(C(=O)NCc2ccccc2CN2CCOCC2)c1 ZINC000021935249 207243204 /nfs/dbraw/zinc/24/32/04/207243204.db2.gz XXBVFQNOZPNSSH-UHFFFAOYSA-N 0 0 397.475 3.017 40 0 GGABRN CCn1c2ccccc2n(CC(=O)N(Cc2ccc(OC)cc2)C2CC2)c1=O ZINC000021973005 207243374 /nfs/dbraw/zinc/24/33/74/207243374.db2.gz FEWDMLJKLMNOBU-UHFFFAOYSA-N 0 0 379.460 3.023 40 0 GGABRN CN(CC(=O)Nc1ccccc1Cl)C(=O)CNc1ccc(F)c(F)c1F ZINC000022907469 207263260 /nfs/dbraw/zinc/26/32/60/207263260.db2.gz BRXDBFRFXUNDKR-UHFFFAOYSA-N 0 0 385.773 3.266 40 0 GGABRN CCc1ccc(NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 ZINC000022383432 207253795 /nfs/dbraw/zinc/25/37/95/207253795.db2.gz WOFZFNFHVMJMBC-UHFFFAOYSA-N 0 0 390.505 3.441 40 0 GGABRN CCOc1cccc(N(CC(=O)Nc2cccc(SC)c2)S(C)(=O)=O)c1 ZINC000022389331 207253833 /nfs/dbraw/zinc/25/38/33/207253833.db2.gz RAWOZWUVSUSWQH-UHFFFAOYSA-N 0 0 394.518 3.212 40 0 GGABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 ZINC000022432103 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O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1ccnc(Nc2ccccn2)n1 ZINC000072377708 208010706 /nfs/dbraw/zinc/01/07/06/208010706.db2.gz MVIWVHWKVXEPFI-KRWDZBQOSA-N 0 0 399.451 3.280 40 0 GGABRN CNc1ncccc1CN1CCCC[C@@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 ZINC000072380636 208010994 /nfs/dbraw/zinc/01/09/94/208010994.db2.gz WPSUTPUBTHRLGT-LJQANCHMSA-N 0 0 382.512 3.246 40 0 GGABRN COCCC(=O)N1CCCC[C@H]1c1cc(Nc2ncc(C)s2)nc(C)n1 ZINC000072384807 208011107 /nfs/dbraw/zinc/01/11/07/208011107.db2.gz YSIRKEIOKZHGDH-HNNXBMFYSA-N 0 0 375.498 3.384 40 0 GGABRN Cc1ncccc1Oc1nccnc1[C@@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC000072384289 208011118 /nfs/dbraw/zinc/01/11/18/208011118.db2.gz CZVWOOHPQBQSAO-QGZVFWFLSA-N 0 0 382.464 3.105 40 0 GGABRN CC(C)c1nccn1-c1cccc(C2CCN(C(=O)c3cnccn3)CC2)n1 ZINC000072378758 208011143 /nfs/dbraw/zinc/01/11/43/208011143.db2.gz HEZJDMQSASOHDL-UHFFFAOYSA-N 0 0 376.464 3.201 40 0 GGABRN Cc1nccn1CCC1CCN(C(=O)c2ccccc2Cn2cccn2)CC1 ZINC000072389667 208011317 /nfs/dbraw/zinc/01/13/17/208011317.db2.gz XTFLNJWYMDLNKR-UHFFFAOYSA-N 0 0 377.492 3.379 40 0 GGABRN Cc1cc(C)nc(Nc2cccc([C@H]3CCCN(C(=O)C4CCOCC4)C3)n2)n1 ZINC000072382958 208011350 /nfs/dbraw/zinc/01/13/50/208011350.db2.gz UATVZLFELPZCQG-SFHVURJKSA-N 0 0 395.507 3.365 40 0 GGABRN CC(=O)N1CCO[C@](Cc2cccc(-c3ccc(C)cc3)c2)(C(=O)NC(C)C)C1 ZINC000072389163 208011356 /nfs/dbraw/zinc/01/13/56/208011356.db2.gz HFBMXZOUUVXAFO-DEOSSOPVSA-N 0 0 394.515 3.347 40 0 GGABRN CCC(=O)N1CCO[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 ZINC000072389239 208011421 /nfs/dbraw/zinc/01/14/21/208011421.db2.gz FVRWAEGXVBHLKZ-OAQYLSRUSA-N 0 0 386.517 3.053 40 0 GGABRN O=C(c1cc([C@@H]2CCCCN2Cc2ccc3[nH]ccc3c2)[nH]n1)N1CCOCC1 ZINC000072380683 208011963 /nfs/dbraw/zinc/01/19/63/208011963.db2.gz RBEIKZBUXVCIMK-NRFANRHFSA-N 0 0 393.491 3.091 40 0 GGABRN CC(=O)N1CCO[C@@](Cc2cccc(-c3ccc(C)cc3)c2)(C(=O)NC(C)C)C1 ZINC000072389162 208012114 /nfs/dbraw/zinc/01/21/14/208012114.db2.gz HFBMXZOUUVXAFO-XMMPIXPASA-N 0 0 394.515 3.347 40 0 GGABRN 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528583746 /nfs/dbraw/zinc/58/37/46/528583746.db2.gz SLFQYMWNDACSNR-ZDUSSCGKSA-N 0 0 396.896 3.353 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C)cc2)cc1C ZINC000408610447 528585723 /nfs/dbraw/zinc/58/57/23/528585723.db2.gz UIEZFTIKGFLACH-OAHLLOKOSA-N 0 0 376.478 3.008 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C)cc2)cc1Cl ZINC000408598365 528585946 /nfs/dbraw/zinc/58/59/46/528585946.db2.gz ZMGSKNBPYFLYQO-CYBMUJFWSA-N 0 0 396.896 3.353 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2c(C)cccc2C)cc1C ZINC000408613182 528585950 /nfs/dbraw/zinc/58/59/50/528585950.db2.gz ZONCPYAMNCWSGL-MRXNPFEDSA-N 0 0 390.505 3.316 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2CC)cc1C ZINC000408612754 528586068 /nfs/dbraw/zinc/58/60/68/528586068.db2.gz YPJJEKDJFYYYMP-OAHLLOKOSA-N 0 0 390.505 3.262 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2)cc1Cl ZINC000408592989 528586142 /nfs/dbraw/zinc/58/61/42/528586142.db2.gz LJXUIQLUHNXMOI-GFCCVEGCSA-N 0 0 382.869 3.044 40 0 GGABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc(OC)c(OC)cc1OC ZINC000409379621 528617058 /nfs/dbraw/zinc/61/70/58/528617058.db2.gz YRHOAUXNWBQTOW-KRWDZBQOSA-N 0 0 390.461 3.480 40 0 GGABRN CCOC(=O)C1=C(C)NC(SCC)=N[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408985771 528617077 /nfs/dbraw/zinc/61/70/77/528617077.db2.gz AWCCRLALTCIVGC-INIZCTEOSA-N 0 0 394.493 3.303 40 0 GGABRN CCOC(=O)C1=C(C)NC(SCC)=N[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408985772 528617420 /nfs/dbraw/zinc/61/74/20/528617420.db2.gz AWCCRLALTCIVGC-MRXNPFEDSA-N 0 0 394.493 3.303 40 0 GGABRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@H]1c1ccc(C)cc1 ZINC000007343689 528618899 /nfs/dbraw/zinc/61/88/99/528618899.db2.gz OGQDETQMJQTZLW-MRXNPFEDSA-N 0 0 376.412 3.094 40 0 GGABRN CCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@H]1c1cc(F)cc(F)c1 ZINC000015087241 528619217 /nfs/dbraw/zinc/61/92/17/528619217.db2.gz LYNSRCIEUQDTCY-OAHLLOKOSA-N 0 0 399.349 3.329 40 0 GGABRN CCOc1cccc(C(=O)Nc2ccccc2N2CCN(C(=O)CC)CC2)c1 ZINC000408628785 528632324 /nfs/dbraw/zinc/63/23/24/528632324.db2.gz AAXCIHGPNWGVTA-UHFFFAOYSA-N 0 0 381.476 3.396 40 0 GGABRN CCOc1cccc(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000013613575 528672234 /nfs/dbraw/zinc/67/22/34/528672234.db2.gz QDRZKHMUNVKPJK-INIZCTEOSA-N 0 0 390.505 3.495 40 0 GGABRN CCOCCCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000408543886 528688514 /nfs/dbraw/zinc/68/85/14/528688514.db2.gz FVELJINFHBMNKF-FQEVSTJZSA-N 0 0 388.489 3.210 40 0 GGABRN CCCn1c(C)c(/C=c2\sc3nc(C)c(C)c(=O)n3c2=O)c2cc(C)ccc21 ZINC000409038450 528809622 /nfs/dbraw/zinc/80/96/22/528809622.db2.gz VMIQFZCZYFLAKQ-ODLFYWEKSA-N 0 0 393.512 3.262 40 0 GGABRN CCOC(=O)COc1ccccc1/C=C1\NC(=S)N(C2CCCCC2)C1=O ZINC000409085393 528849932 /nfs/dbraw/zinc/84/99/32/528849932.db2.gz YYRPWLCDWKDRPU-VBKFSLOCSA-N 0 0 388.489 3.019 40 0 GGABRN CCC[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000006944754 528894566 /nfs/dbraw/zinc/89/45/66/528894566.db2.gz SNIXMIASALNBCX-GOSISDBHSA-N 0 0 388.533 3.491 40 0 GGABRN CCN1C(=O)S/C(=C\c2cn(CC(=O)N3CCCC3)c3ccccc23)C1=O ZINC000409133549 528953754 /nfs/dbraw/zinc/95/37/54/528953754.db2.gz MDSLVMIFCUAAPJ-BOPFTXTBSA-N 0 0 383.473 3.320 40 0 GGABRN CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1OC ZINC000408988771 529102920 /nfs/dbraw/zinc/10/29/20/529102920.db2.gz JGFNNRABGHVKST-GOSISDBHSA-N 0 0 381.432 3.472 40 0 GGABRN CCOC(=O)Nc1cc(S(=O)(=O)NCCc2ccccc2)ccc1OCC ZINC000408585700 529105858 /nfs/dbraw/zinc/10/58/58/529105858.db2.gz IJJVRFSZEVXFOS-UHFFFAOYSA-N 0 0 392.477 3.175 40 0 GGABRN CCOC(=O)Nc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC ZINC000408585974 529106403 /nfs/dbraw/zinc/10/64/03/529106403.db2.gz LXQQKODMHOIVEQ-UHFFFAOYSA-N 0 0 390.461 3.405 40 0 GGABRN CCOC(=O)Nc1cc(S(=O)(=O)NCc2ccccc2Cl)ccc1OC ZINC000408585675 529107496 /nfs/dbraw/zinc/10/74/96/529107496.db2.gz IAIHBHYDJVZDFT-UHFFFAOYSA-N 0 0 398.868 3.396 40 0 GGABRN CCOC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccc(OC)cc2)cc1 ZINC000408586067 529112270 /nfs/dbraw/zinc/11/22/70/529112270.db2.gz AAVGVLXMCBHZMJ-UHFFFAOYSA-N 0 0 378.450 3.084 40 0 GGABRN CC(C)NC(=O)N1CCC2(CC1)c1ncc(-c3cccc(F)c3)n1CCN2C ZINC000105122169 529134582 /nfs/dbraw/zinc/13/45/82/529134582.db2.gz KZDJMMVZBPLFRQ-UHFFFAOYSA-N 0 0 385.487 3.044 40 0 GGABRN CC[C@H](C)NC(=O)CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O ZINC000408623261 529159679 /nfs/dbraw/zinc/15/96/79/529159679.db2.gz FAHYAXAREFXHFJ-LBPRGKRZSA-N 0 0 378.881 3.430 40 0 GGABRN CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2)CC1=O ZINC000408655132 529162510 /nfs/dbraw/zinc/16/25/10/529162510.db2.gz HLWWTKWPOQXNRZ-SFHVURJKSA-N 0 0 394.471 3.346 40 0 GGABRN CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C(C)C)ccc2OC)C1 ZINC000408700819 529169420 /nfs/dbraw/zinc/16/94/20/529169420.db2.gz MLXOXJGDENPLJI-DOTOQJQBSA-N 0 0 396.553 3.134 40 0 GGABRN CC[C@H](C)NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000010338540 529177072 /nfs/dbraw/zinc/17/70/72/529177072.db2.gz JBNSFAZKBFLRMX-AWEZNQCLSA-N 0 0 378.469 3.320 40 0 GGABRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2C)cc1 ZINC000409195311 529181250 /nfs/dbraw/zinc/18/12/50/529181250.db2.gz HIGUWSISAPSNHY-HNNXBMFYSA-N 0 0 376.478 3.089 40 0 GGABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000113942605 529245102 /nfs/dbraw/zinc/24/51/02/529245102.db2.gz CYEJQLDQPJXULT-LJQANCHMSA-N 0 0 395.459 3.289 40 0 GGABRN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000014024284 529246935 /nfs/dbraw/zinc/24/69/35/529246935.db2.gz CFEUYPUHJZXWAM-YLJYHZDGSA-N 0 0 382.460 3.392 40 0 GGABRN CC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000409392731 529371152 /nfs/dbraw/zinc/37/11/52/529371152.db2.gz TWUIIOTZRHXUGF-NEPJUHHUSA-N 0 0 393.336 3.309 40 0 GGABRN CC[C@@H](C)NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000010338538 529372163 /nfs/dbraw/zinc/37/21/63/529372163.db2.gz JBNSFAZKBFLRMX-CQSZACIVSA-N 0 0 378.469 3.320 40 0 GGABRN CC(C)(Br)C(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 ZINC000020133261 534966996 /nfs/dbraw/zinc/96/69/96/534966996.db2.gz OTNDMEBAXAAJQD-UHFFFAOYSA-N 0 0 384.299 3.245 40 0 GGABRN CC1CCN(c2ccc(NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)CC1 ZINC000102901632 535286154 /nfs/dbraw/zinc/28/61/54/535286154.db2.gz OSIVCDOFLLXEJD-BGYRXZFFSA-N 0 0 395.503 3.203 40 0 GGABRN CCc1ccc(N2C[C@@H](C(=O)N3CCN(c4cccc(C)c4)CC3)CC2=O)cc1 ZINC000016280413 536185331 /nfs/dbraw/zinc/18/53/31/536185331.db2.gz YLFREACPYLGFJN-FQEVSTJZSA-N 0 0 391.515 3.259 40 0 GGABRN CN1C(=O)CN(C(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)c2ccccc21 ZINC000151237005 536312762 /nfs/dbraw/zinc/31/27/62/536312762.db2.gz SOXGXYSZBXUBAC-UHFFFAOYSA-N 0 0 385.423 3.307 40 0 GGABRN COc1ccc(-c2csc(NC(=O)CN3C(=O)COc4ccccc43)n2)cc1 ZINC000007641225 536500399 /nfs/dbraw/zinc/50/03/99/536500399.db2.gz CFPQQPDSXBXBKA-UHFFFAOYSA-N 0 0 395.440 3.183 40 0 GGABRN COCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)CCC2 ZINC000072373740 536765712 /nfs/dbraw/zinc/76/57/12/536765712.db2.gz DTGYVBVSRRQPGM-IBGZPJMESA-N 0 0 398.482 3.187 40 0 GGABRN COCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)CCC2 ZINC000072373736 536766232 /nfs/dbraw/zinc/76/62/32/536766232.db2.gz RTPKDCRANQRIJW-IBGZPJMESA-N 0 0 386.540 3.428 40 0 GGABRN COc1ccc2cc(CNc3ccc(N4CCC[C@@H](O)C4)cc3C)c(=O)[nH]c2c1 ZINC000013565060 537034990 /nfs/dbraw/zinc/03/49/90/537034990.db2.gz BAKOOQQYVGSPLG-LJQANCHMSA-N 0 0 393.487 3.418 40 0 GGABRN COc1ccccc1N1CCN(C(=O)c2cnc(-c3ccccc3)nc2C)CC1 ZINC000130872930 537067322 /nfs/dbraw/zinc/06/73/22/537067322.db2.gz ZIJVKDXPDOMLFF-UHFFFAOYSA-N 0 0 388.471 3.423 40 0 GGABRN COc1ccccc1N1CCN(C(=O)c2cnc(-c3cccc(F)c3)nc2)CC1 ZINC000222625841 537067441 /nfs/dbraw/zinc/06/74/41/537067441.db2.gz PGHKYUXKHNURKP-UHFFFAOYSA-N 0 0 392.434 3.254 40 0 GGABRN COc1ccccc1N1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000059271233 537067725 /nfs/dbraw/zinc/06/77/25/537067725.db2.gz KNLWICYPKDKFEE-UHFFFAOYSA-N 0 0 396.878 3.497 40 0 GGABRN Cc1ccc(C(=O)OCC(=O)Nc2cccc(I)c2)cc1 ZINC000006430774 564224626 /nfs/dbraw/zinc/22/46/26/564224626.db2.gz DQKLTJQEMDQQMU-UHFFFAOYSA-N 0 0 395.196 3.395 40 0 GGABRN COc1ccc(Br)cc1S(=O)(=O)NCCc1ccc(F)cc1 ZINC000007376552 564235984 /nfs/dbraw/zinc/23/59/84/564235984.db2.gz BODHHLHCHREIAU-UHFFFAOYSA-N 0 0 388.258 3.118 40 0 GGABRN CN(CCNC(=O)c1ccc(I)cc1)c1ccccc1 ZINC000012611628 564269259 /nfs/dbraw/zinc/26/92/59/564269259.db2.gz MVSMHACSAOZBID-UHFFFAOYSA-N 0 0 380.229 3.157 40 0 GGABRN CC(C)NC(=O)N1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1cccs1 ZINC000514290219 560030394 /nfs/dbraw/zinc/03/03/94/560030394.db2.gz VWXFNNZZLZSSHE-ABSDTBQOSA-N 0 0 393.553 3.039 40 0 biogenic,in-vitro GGABRN Cc1ccc2[nH]c(C[C@H]3C[N@H+](Cc4ccccn4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514289627 560032271 /nfs/dbraw/zinc/03/22/71/560032271.db2.gz XFJISDHIQNIYLY-IRXDYDNUSA-N 0 0 378.476 3.422 40 0 biogenic,in-vitro GGABRN CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000514288703 560034064 /nfs/dbraw/zinc/03/40/64/560034064.db2.gz VYHHJLTUGAWNSD-AEFFLSMTSA-N 0 0 376.378 3.423 40 0 biogenic,in-vitro GGABRN COc1ccc(-c2cc(CC3(NCc4ccccc4OC)COC3)no2)cc1 ZINC000072321957 560076432 /nfs/dbraw/zinc/07/64/32/560076432.db2.gz CFTIXIAHFQVNOE-UHFFFAOYSA-N 0 0 380.444 3.460 40 0 biogenic,in-vitro GGABRN Cc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(CC(C)C)[C@@H]2CO)cc1 ZINC000072321149 560076833 /nfs/dbraw/zinc/07/68/33/560076833.db2.gz YKSYHVURXHKHMA-IFMALSPDSA-N 0 0 396.487 3.164 40 0 biogenic,in-vitro GGABRN COCCOc1cc(-c2noc([C@@H]3CCCN3Cc3ccccc3)n2)ccn1 ZINC000035424759 560080437 /nfs/dbraw/zinc/08/04/37/560080437.db2.gz KDYGPTWPNBZZIL-SFHVURJKSA-N 0 0 380.448 3.494 40 0 biogenic,in-vitro GGABRN CC1=C[C@@H](C[C@]2(C)O[C@H]2COc2c3occc3cc3ccc(=O)oc32)OC1=O ZINC000035454959 560081333 /nfs/dbraw/zinc/08/13/33/560081333.db2.gz CISFAPDYRQPRCZ-GXZWQRSESA-N 0 0 382.368 3.337 40 0 biogenic,in-vitro GGABRN Cc1ccc(-c2nnc([C@H]3CCN(Cc4ccc(S(C)(=O)=O)cc4)C3)o2)cc1 ZINC000049169979 560084617 /nfs/dbraw/zinc/08/46/17/560084617.db2.gz UUDPFMKKVLRCJA-SFHVURJKSA-N 0 0 397.500 3.438 40 0 biogenic,in-vitro GGABRN CC1=C[C@@H](CNC(=O)c2cnccn2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 ZINC000030881544 560089882 /nfs/dbraw/zinc/08/98/82/560089882.db2.gz DPPWNLYREVUJSK-FHWLQOOXSA-N 0 0 384.524 3.074 40 0 biogenic,in-vitro GGABRN Cc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3Cc3ccc(CO)o3)n2)cc1 ZINC000015675558 560094962 /nfs/dbraw/zinc/09/49/62/560094962.db2.gz JTTJFPQDSWPLMH-IBGZPJMESA-N 0 0 391.431 3.153 40 0 biogenic,in-vitro GGABRN COc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccccn3)no2)cc1 ZINC000015675562 560094978 /nfs/dbraw/zinc/09/49/78/560094978.db2.gz QSPKWQQXBXJWOP-IBGZPJMESA-N 0 0 388.431 3.163 40 0 biogenic,in-vitro GGABRN O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)N(Cc2ccco2)C1 ZINC000015675104 560094996 /nfs/dbraw/zinc/09/49/96/560094996.db2.gz ILMCAHPEDPWOQD-CJNGLKHVSA-N 0 0 377.803 3.354 40 0 biogenic,in-vitro GGABRN COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000015674673 560095185 /nfs/dbraw/zinc/09/51/85/560095185.db2.gz VXFMQVNZCPTMBS-APWZRJJASA-N 0 0 381.432 3.062 40 0 biogenic,in-vitro GGABRN CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000004214755 560197480 /nfs/dbraw/zinc/19/74/80/560197480.db2.gz QRJOQYLXZPQQMX-FWROMSNXSA-N 0 0 390.520 3.317 40 0 in-vitro GGABRN O=C(C1CCCCC1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3cccnc3)ccc12 ZINC000005396527 560201619 /nfs/dbraw/zinc/20/16/19/560201619.db2.gz AGGNINUZLMCVOY-QFBILLFUSA-N 0 0 377.488 3.436 40 0 biogenic,in-vitro GGABRN COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)NC4CCCCC4)CN3C)n2)cc1 ZINC000012529918 560212938 /nfs/dbraw/zinc/21/29/38/560212938.db2.gz LZYNFFIBOCRDMJ-WMZOPIPTSA-N 0 0 399.495 3.122 40 0 biogenic,in-vitro GGABRN COc1ccc([C@@]2(O)c3c(O)c(CC=C(C)C)ccc3NC(=O)[C@@H]2OC)cc1 ZINC000013660211 560220088 /nfs/dbraw/zinc/22/00/88/560220088.db2.gz ZRZQXSGEIJXJEO-RBBKRZOGSA-N 0 0 383.444 3.113 40 0 biogenic,in-vitro GGABRN CC(=O)Nc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3cccc(C)c3)no2)cc1 ZINC000015674404 560231148 /nfs/dbraw/zinc/23/11/48/560231148.db2.gz CFBOFYGBHRWHJR-UXHICEINSA-N 0 0 392.459 3.311 40 0 biogenic,in-vitro GGABRN Cc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000000634685 564180395 /nfs/dbraw/zinc/18/03/95/564180395.db2.gz NFUNJHAXITVWNY-KRWDZBQOSA-N 0 0 378.881 3.440 40 0 GGABRN Cc1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1C[C@@H]1CCCO1 ZINC000000915411 564181188 /nfs/dbraw/zinc/18/11/88/564181188.db2.gz HIKNDONVSKIXRT-ZDUSSCGKSA-N 0 0 380.901 3.458 40 0 GGABRN CS(=O)(=O)N(CC(=O)NCc1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000000824483 564181419 /nfs/dbraw/zinc/18/14/19/564181419.db2.gz JMITUGUVUHBUPA-UHFFFAOYSA-N 0 0 387.288 3.076 40 0 GGABRN COc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1Cl ZINC000000892131 564181511 /nfs/dbraw/zinc/18/15/11/564181511.db2.gz ILUQTNYWVJSPLQ-UHFFFAOYSA-N 0 0 375.841 3.055 40 0 GGABRN CCOC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000000982639 564182458 /nfs/dbraw/zinc/18/24/58/564182458.db2.gz OJKLNXXSDVHIPE-UHFFFAOYSA-N 0 0 383.853 3.391 40 0 GGABRN CC1=NN(C(=O)COc2ccccc2)[C@@](O)(c2ccc(Br)cc2)C1 ZINC000001092377 564183274 /nfs/dbraw/zinc/18/32/74/564183274.db2.gz MPTXFXSBERAOSW-SFHVURJKSA-N 0 0 389.249 3.281 40 0 GGABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC(C)C)C2)cc1Cl ZINC000001363492 564185357 /nfs/dbraw/zinc/18/53/57/564185357.db2.gz DCTGJKLNFGLBRB-OAHLLOKOSA-N 0 0 386.945 3.211 40 0 GGABRN CCOC(=O)CCSc1nnc2c3cc(Br)ccc3n(C)c2n1 ZINC000001366218 564185616 /nfs/dbraw/zinc/18/56/16/564185616.db2.gz VMBKUQDVDFPDIH-UHFFFAOYSA-N 0 0 395.282 3.324 40 0 GGABRN C[C@@H]1CCc2c(sc3[nH]c(SCC(=O)N4CCCCC4)nc(=O)c23)C1 ZINC000001368069 564185621 /nfs/dbraw/zinc/18/56/21/564185621.db2.gz SSMBUFGZSPKJGU-LLVKDONJSA-N 0 0 377.535 3.214 40 0 GGABRN CCCc1nnc(SCC(=O)Nc2nc3ccc(OC)cc3s2)n1C ZINC000001355957 564185718 /nfs/dbraw/zinc/18/57/18/564185718.db2.gz PZJQDHWWUQLWRH-UHFFFAOYSA-N 0 0 377.495 3.117 40 0 GGABRN CC(C)(C)NC(=O)CSc1nnc(NC(=O)c2ccc(Cl)cc2)s1 ZINC000001381519 564185834 /nfs/dbraw/zinc/18/58/34/564185834.db2.gz XKNMGOKXCIWCQE-UHFFFAOYSA-N 0 0 384.914 3.451 40 0 GGABRN O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000002467711 564187495 /nfs/dbraw/zinc/18/74/95/564187495.db2.gz GSZPFSVQZKSOHT-NSHDSACASA-N 0 0 386.445 3.066 40 0 GGABRN C[C@@H]1CCc2c(sc3[nH]c(SCC(=O)Nc4nccs4)nc(=O)c23)C1 ZINC000002614020 564188278 /nfs/dbraw/zinc/18/82/78/564188278.db2.gz IBJLAYXUJSELPP-MRVPVSSYSA-N 0 0 392.531 3.297 40 0 GGABRN CC(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000002631237 564188708 /nfs/dbraw/zinc/18/87/08/564188708.db2.gz SUYXWYYGBWCJRS-UHFFFAOYSA-N 0 0 382.869 3.044 40 0 GGABRN O=C(C(Cl)=C(Cl)Cl)N1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000002561295 564188814 /nfs/dbraw/zinc/18/88/14/564188814.db2.gz YEOGACIQGIAOBP-UHFFFAOYSA-N 0 0 389.592 3.030 40 0 GGABRN NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2 ZINC000002755826 564189333 /nfs/dbraw/zinc/18/93/33/564189333.db2.gz GCSLKVHSQUNGBP-MWLCHTKSSA-N 0 0 389.175 3.405 40 0 GGABRN NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2 ZINC000002755824 564189370 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C[C@H](Sc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)C(N)=O ZINC000003367682 564196105 /nfs/dbraw/zinc/19/61/05/564196105.db2.gz VZJCDFBWVSRWFW-JTQLQIEISA-N 0 0 377.535 3.418 40 0 GGABRN COC(=O)c1ccc(OC(=O)c2ccccc2I)cc1 ZINC000003354036 564196427 /nfs/dbraw/zinc/19/64/27/564196427.db2.gz IFQKUCITVONYKW-UHFFFAOYSA-N 0 0 382.153 3.297 40 0 GGABRN COC(=O)c1ccc(CSc2nc3sc4c(c3c(=O)n2C)CCC4)o1 ZINC000003448372 564196966 /nfs/dbraw/zinc/19/69/66/564196966.db2.gz CYOCAVJWASMCKJ-UHFFFAOYSA-N 0 0 376.459 3.156 40 0 GGABRN CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 ZINC000003456183 564197130 /nfs/dbraw/zinc/19/71/30/564197130.db2.gz RPGANKQFTGQDNY-UHFFFAOYSA-N 0 0 382.869 3.241 40 0 GGABRN C[C@H]1CCCC[C@H]1NC(=O)COc1ncnc2ccc(Br)cc21 ZINC000003452769 564197389 /nfs/dbraw/zinc/19/73/89/564197389.db2.gz LRHDJUIXGAPGJC-SMDDNHRTSA-N 0 0 378.270 3.466 40 0 GGABRN C[C@@H]1CCCC[C@H]1NC(=O)COc1ncnc2ccc(Br)cc21 ZINC000003452771 564197571 /nfs/dbraw/zinc/19/75/71/564197571.db2.gz LRHDJUIXGAPGJC-BXUZGUMPSA-N 0 0 378.270 3.466 40 0 GGABRN O=C(COC(=O)c1cc(=O)[nH]c2ccccc21)c1ccc(Br)s1 ZINC000003536404 564198246 /nfs/dbraw/zinc/19/82/46/564198246.db2.gz ITRFCCNWHSHKRV-UHFFFAOYSA-N 0 0 392.230 3.392 40 0 GGABRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(C)cs2)c1 ZINC000003562009 564198868 /nfs/dbraw/zinc/19/88/68/564198868.db2.gz WYSKRYDQBVRGMU-UHFFFAOYSA-N 0 0 387.914 3.388 40 0 GGABRN COc1ccccc1C(=O)NCC(=O)NCCc1ccc(Cl)cc1Cl ZINC000003569913 564198963 /nfs/dbraw/zinc/19/89/63/564198963.db2.gz ZAMFWGNMUVHLQD-UHFFFAOYSA-N 0 0 381.259 3.091 40 0 GGABRN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2Cl)c1 ZINC000003562317 564199099 /nfs/dbraw/zinc/19/90/99/564199099.db2.gz KUEPFIFZPNRUIU-UHFFFAOYSA-N 0 0 380.897 3.301 40 0 GGABRN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc(Br)cc1 ZINC000003563601 564199317 /nfs/dbraw/zinc/19/93/17/564199317.db2.gz WHABLAHXDHMOGX-IBGZPJMESA-N 0 0 399.244 3.025 40 0 GGABRN CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1Br)C[S@](=O)C2 ZINC000004106041 564199868 /nfs/dbraw/zinc/19/98/68/564199868.db2.gz 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CC(C)n1cc2c(c1-c1ccc(Br)cc1)c(=O)n(C)c(=O)n2C ZINC000013495620 564277301 /nfs/dbraw/zinc/27/73/01/564277301.db2.gz LMCFZVZGHXPLEM-UHFFFAOYSA-N 0 0 376.254 3.049 40 0 GGABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000013582864 564277386 /nfs/dbraw/zinc/27/73/86/564277386.db2.gz FDGSOHNUUAUFEN-UHFFFAOYSA-N 0 0 382.869 3.305 40 0 GGABRN CCOc1cccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1 ZINC000013672498 564278396 /nfs/dbraw/zinc/27/83/96/564278396.db2.gz UWLDVWQWCTVFFX-UHFFFAOYSA-N 0 0 382.869 3.143 40 0 GGABRN C[C@@H](C(=O)N1CCC[C@H](C)C1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000013676174 564278455 /nfs/dbraw/zinc/27/84/55/564278455.db2.gz JEKSUEMEDVZKLF-RYUDHWBXSA-N 0 0 393.336 3.406 40 0 GGABRN O=C(Nc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000014019210 564278590 /nfs/dbraw/zinc/27/85/90/564278590.db2.gz HJFAKUKTUPFLIL-CQSZACIVSA-N 0 0 378.881 3.379 40 0 GGABRN CC[C@H](C(=O)NCc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714068 564278637 /nfs/dbraw/zinc/27/86/37/564278637.db2.gz 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/nfs/dbraw/zinc/28/73/50/564287350.db2.gz KPDUGLPRXBQELE-UHFFFAOYSA-N 0 0 375.222 3.122 40 0 GGABRN CCCCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000015433667 564287365 /nfs/dbraw/zinc/28/73/65/564287365.db2.gz IMXRNJVOLKKVDT-UHFFFAOYSA-N 0 0 393.336 3.310 40 0 GGABRN Cc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1S(=O)(=O)N(C)C ZINC000015736590 564290351 /nfs/dbraw/zinc/29/03/51/564290351.db2.gz XPJHKYPOGQJJTG-UHFFFAOYSA-N 0 0 388.276 3.199 40 0 GGABRN CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCc3sccc3[C@@H]2C)c1 ZINC000016780923 564296237 /nfs/dbraw/zinc/29/62/37/564296237.db2.gz NQIFTMOZFBOXQB-ZDUSSCGKSA-N 0 0 378.519 3.194 40 0 GGABRN Cc1ccc(S(=O)(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)cc1 ZINC000017521358 564297938 /nfs/dbraw/zinc/29/79/38/564297938.db2.gz WRIBMHSRWRFEFF-KRWDZBQOSA-N 0 0 375.881 3.450 40 0 GGABRN Cn1ccnc1[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1cccc(F)c1 ZINC000017521936 564298022 /nfs/dbraw/zinc/29/80/22/564298022.db2.gz AVIYXIBTICNULD-CQSZACIVSA-N 0 0 385.873 3.342 40 0 GGABRN CCCN(C(=O)c1csc(-c2ccc(C)cc2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000017365581 564298099 /nfs/dbraw/zinc/29/80/99/564298099.db2.gz LNXCEXVOAWQUFP-HNNXBMFYSA-N 0 0 378.519 3.158 40 0 GGABRN Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1cccc(F)c1 ZINC000017521935 564298382 /nfs/dbraw/zinc/29/83/82/564298382.db2.gz AVIYXIBTICNULD-AWEZNQCLSA-N 0 0 385.873 3.342 40 0 GGABRN NC(=O)CSc1nnc(SCc2nc(-c3ccccc3Cl)no2)s1 ZINC000019298018 564303399 /nfs/dbraw/zinc/30/33/99/564303399.db2.gz GKJNATOLVHAROK-UHFFFAOYSA-N 0 0 399.910 3.111 40 0 GGABRN Cc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cc1 ZINC000019946241 564304055 /nfs/dbraw/zinc/30/40/55/564304055.db2.gz YAICXQPFOQBIDF-UHFFFAOYSA-N 0 0 397.294 3.162 40 0 GGABRN CC(=O)N1CCCCC[C@@H]2N(S(=O)(=O)c3cccc(Cl)c3)CC[C@@]21C ZINC000019713416 564304142 /nfs/dbraw/zinc/30/41/42/564304142.db2.gz DBMCVQWCTUUNBO-ROUUACIJSA-N 0 0 384.929 3.284 40 0 GGABRN Cc1cccc(C)c1NC(=O)CS(=O)(=O)c1ccc(Br)cc1 ZINC000019822866 564304454 /nfs/dbraw/zinc/30/44/54/564304454.db2.gz 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ZINC000041154061 564430055 /nfs/dbraw/zinc/43/00/55/564430055.db2.gz KXIRKJYETODZDF-UHFFFAOYSA-N 0 0 377.853 3.318 40 0 GGABRN Cc1ccccc1-c1noc(CNS(=O)(=O)Cc2ccc(Cl)cc2)n1 ZINC000041152629 564430060 /nfs/dbraw/zinc/43/00/60/564430060.db2.gz NOJQNXLUJISBMY-UHFFFAOYSA-N 0 0 377.853 3.318 40 0 GGABRN Cc1cccc(-c2noc(CNS(=O)(=O)Cc3ccc(Cl)cc3)n2)c1 ZINC000041152860 564430234 /nfs/dbraw/zinc/43/02/34/564430234.db2.gz OBODMJOLOOJAIQ-UHFFFAOYSA-N 0 0 377.853 3.318 40 0 GGABRN Cc1ccc(CS(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000041154065 564430261 /nfs/dbraw/zinc/43/02/61/564430261.db2.gz NYLFOTVKTUIIKI-UHFFFAOYSA-N 0 0 377.853 3.318 40 0 GGABRN COc1cccc(-c2noc(CNC(=O)c3ccc(Br)cc3)n2)c1 ZINC000041153456 564430398 /nfs/dbraw/zinc/43/03/98/564430398.db2.gz RJRONASAGBWXNY-UHFFFAOYSA-N 0 0 388.221 3.438 40 0 GGABRN O=C(Nc1nc(CN2CCOCC2)cs1)c1ccc(Br)s1 ZINC000042158088 564442981 /nfs/dbraw/zinc/44/29/81/564442981.db2.gz ORGTYEKPSWPGEZ-UHFFFAOYSA-N 0 0 388.312 3.052 40 0 GGABRN 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C[C@@H](C(=O)NCCSC(C)(C)C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000113941112 565071448 /nfs/dbraw/zinc/07/14/48/565071448.db2.gz TWHHHOUVNCTPDM-LBPRGKRZSA-N 0 0 392.974 3.142 40 0 GGABRN Cn1cnc2cc(C(=O)Nc3ccc(I)cc3)ccc21 ZINC000162954483 565332936 /nfs/dbraw/zinc/33/29/36/565332936.db2.gz FTOUKQDNDMQDPO-UHFFFAOYSA-N 0 0 377.185 3.430 40 0 GGABRN Cc1cc(OC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nc(C)n1 ZINC000390828032 565558758 /nfs/dbraw/zinc/55/87/58/565558758.db2.gz NSZKBCHNVHPVKG-UHFFFAOYSA-N 0 0 387.914 3.040 40 0 GGABRN CC(C)CC(=O)NC(=S)Nc1ccc(I)cc1F ZINC000408627786 565614753 /nfs/dbraw/zinc/61/47/53/565614753.db2.gz NSYFSZPYLBVAHX-UHFFFAOYSA-N 0 0 380.226 3.289 40 0 GGABRN COc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)OCCO3)cc1Cl ZINC000408625505 565614823 /nfs/dbraw/zinc/61/48/23/565614823.db2.gz DPTXHYGJVVSZJW-UHFFFAOYSA-N 0 0 378.837 3.247 40 0 GGABRN COc1ccc(O)c(NC(=S)NC(=O)c2cccc(Br)c2)c1 ZINC000408625884 565614968 /nfs/dbraw/zinc/61/49/68/565614968.db2.gz FXOVPFGLWSOTNS-UHFFFAOYSA-N 0 0 381.251 3.290 40 0 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ZINC000222386777 570409381 /nfs/dbraw/zinc/40/93/81/570409381.db2.gz LVFILXBTUSJDSE-IBGZPJMESA-N 0 0 382.504 3.462 40 0 GGABRN O=C(CSc1nccc(C(F)(F)F)n1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000025256703 570409545 /nfs/dbraw/zinc/40/95/45/570409545.db2.gz MJOFVYCHNODJJE-UHFFFAOYSA-N 0 0 384.383 3.035 40 0 GGABRN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc3c(c2)NC(=O)CS3)c(C)c1 ZINC000005062457 570409580 /nfs/dbraw/zinc/40/95/80/570409580.db2.gz SIYDRFMVLHYKLS-UHFFFAOYSA-N 0 0 397.500 3.367 40 0 GGABRN C[C@@H](NC(N)=O)C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000025257461 570409661 /nfs/dbraw/zinc/40/96/61/570409661.db2.gz VTLPAGDCPDNZDH-DOMZBBRYSA-N 0 0 384.867 3.126 40 0 GGABRN Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000025274682 570409930 /nfs/dbraw/zinc/40/99/30/570409930.db2.gz ZYXFRCYTJZRQRD-UHFFFAOYSA-N 0 0 394.475 3.368 40 0 GGABRN COc1cc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c(OC)cc1Cl ZINC000222415758 570410244 /nfs/dbraw/zinc/41/02/44/570410244.db2.gz MPQZECAWPKGCOI-UHFFFAOYSA-N 0 0 398.868 3.005 40 0 GGABRN Cc1c(C(=O)Nc2ccc(OC(C)C)cc2)cccc1N(C)S(C)(=O)=O ZINC000222434926 570410524 /nfs/dbraw/zinc/41/05/24/570410524.db2.gz OUCGUWNKKKPXCG-UHFFFAOYSA-N 0 0 376.478 3.430 40 0 GGABRN COc1cccc(CO[C@H](C)C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)c1 ZINC000046787605 570410562 /nfs/dbraw/zinc/41/05/62/570410562.db2.gz BUTMHKJDCZKAHE-VQIMIIECSA-N 0 0 398.507 3.282 40 0 GGABRN Cc1c(C(=O)Nc2cccc(OC(C)C)c2)cccc1N(C)S(C)(=O)=O ZINC000222435010 570410656 /nfs/dbraw/zinc/41/06/56/570410656.db2.gz VFKJGGOZUVOBQE-UHFFFAOYSA-N 0 0 376.478 3.430 40 0 GGABRN Cc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1N(C)S(C)(=O)=O ZINC000222456280 570411145 /nfs/dbraw/zinc/41/11/45/570411145.db2.gz NPPCOTPHEHIGEU-UHFFFAOYSA-N 0 0 376.478 3.430 40 0 GGABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C ZINC000222478216 570412088 /nfs/dbraw/zinc/41/20/88/570412088.db2.gz XMWLSOUTHUJHGV-IBGZPJMESA-N 0 0 382.504 3.462 40 0 GGABRN Cc1ccc(N(C(=O)[C@H](C)Oc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC000005071162 570412347 /nfs/dbraw/zinc/41/23/47/570412347.db2.gz IVXFXJWMVVHDRL-PKOBYXMFSA-N 0 0 385.485 3.415 40 0 GGABRN CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccncc2)C2CC2)C1=O ZINC000004859363 570413033 /nfs/dbraw/zinc/41/30/33/570413033.db2.gz WKSRSFSPJWAALG-IBGZPJMESA-N 0 0 379.460 3.085 40 0 GGABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1cc(C)cc(C)c1 ZINC000222519489 570413276 /nfs/dbraw/zinc/41/32/76/570413276.db2.gz HPDVBEOLMMUFKP-MRXNPFEDSA-N 0 0 388.895 3.499 40 0 GGABRN CCOc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccc4nccnc43)C2)cc1 ZINC000035684074 570413602 /nfs/dbraw/zinc/41/36/02/570413602.db2.gz PDSYPSYOZFDHGH-LJQANCHMSA-N 0 0 396.472 3.139 40 0 GGABRN Cc1ccccc1N(CCCC(=O)NCCCc1ccccc1)S(C)(=O)=O ZINC000222559792 570414579 /nfs/dbraw/zinc/41/45/79/570414579.db2.gz DVZAHRKCTMATKD-UHFFFAOYSA-N 0 0 388.533 3.290 40 0 GGABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)ccc1C ZINC000222572034 570415055 /nfs/dbraw/zinc/41/50/55/570415055.db2.gz KFVIFFAUAVZTDX-INIZCTEOSA-N 0 0 388.895 3.499 40 0 GGABRN COc1cccc(-c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)no2)c1 ZINC000004880769 570415069 /nfs/dbraw/zinc/41/50/69/570415069.db2.gz MGFHTHLMMQASMM-UHFFFAOYSA-N 0 0 382.416 3.340 40 0 biogenic GGABRN COc1ccccc1N(CCCC(=O)N[C@@H](C)c1ccccc1)S(C)(=O)=O ZINC000222576156 570415127 /nfs/dbraw/zinc/41/51/27/570415127.db2.gz CLOBVQQNTQCCHV-INIZCTEOSA-N 0 0 390.505 3.119 40 0 GGABRN COc1cccc(N(CCCC(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)c1 ZINC000222586787 570415776 /nfs/dbraw/zinc/41/57/76/570415776.db2.gz FYUGOMCHMYOYHH-INIZCTEOSA-N 0 0 390.505 3.119 40 0 GGABRN CCOc1ccc(/C=C2/SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)cc1OC ZINC000007071018 570415818 /nfs/dbraw/zinc/41/58/18/570415818.db2.gz VJPCZMBQGDFLMF-HMHNVIDESA-N 0 0 393.461 3.472 40 0 GGABRN COc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000004893517 570415983 /nfs/dbraw/zinc/41/59/83/570415983.db2.gz HRRJKXJKWUSBNQ-CQSZACIVSA-N 0 0 387.819 3.128 40 0 GGABRN CC(=O)c1ccc(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)cc1 ZINC000004895569 570416044 /nfs/dbraw/zinc/41/60/44/570416044.db2.gz FIYXFMUPRHLPCJ-UHFFFAOYSA-N 0 0 395.438 3.049 40 0 GGABRN COc1ccc(N(CCCC(=O)NCCC2=CCCCC2)S(C)(=O)=O)cc1 ZINC000222601526 570416348 /nfs/dbraw/zinc/41/63/48/570416348.db2.gz ZFDQMZJPGAIQIL-UHFFFAOYSA-N 0 0 394.537 3.248 40 0 GGABRN CN(CCNC(=O)[C@H](NC(=O)c1cccs1)c1ccccc1)c1ccccc1 ZINC000025578186 570416524 /nfs/dbraw/zinc/41/65/24/570416524.db2.gz DRROCFJFBXTKHH-HXUWFJFHSA-N 0 0 393.512 3.472 40 0 GGABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000222617748 570416908 /nfs/dbraw/zinc/41/69/08/570416908.db2.gz QIKTUROVLROIJE-KRWDZBQOSA-N 0 0 386.467 3.456 40 0 GGABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000222621922 570417280 /nfs/dbraw/zinc/41/72/80/570417280.db2.gz HEHDQBDYDQUCDY-INIZCTEOSA-N 0 0 386.467 3.491 40 0 GGABRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(NC(C)=O)cc2)C1=O ZINC000007070908 570417481 /nfs/dbraw/zinc/41/74/81/570417481.db2.gz BJLLVUUZDVAZKU-PDICVPPASA-N 0 0 376.434 3.023 40 0 GGABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000222633504 570417934 /nfs/dbraw/zinc/41/79/34/570417934.db2.gz VGLUWLMVLJOIMH-LBPRGKRZSA-N 0 0 380.822 3.324 40 0 GGABRN CCOc1c(/C=C2/SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)cccc1OC ZINC000007078135 570417958 /nfs/dbraw/zinc/41/79/58/570417958.db2.gz CDXNFYMRWQBDDI-XBUHWIKASA-N 0 0 393.461 3.472 40 0 GGABRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(NC(C)=O)cc2)C1=O ZINC000007077902 570418002 /nfs/dbraw/zinc/41/80/02/570418002.db2.gz BJLLVUUZDVAZKU-GPILYODUSA-N 0 0 376.434 3.023 40 0 GGABRN CS(=O)(=O)N(CCCC(=O)NCCC1=CCCCC1)c1ccccc1F ZINC000222654216 570418993 /nfs/dbraw/zinc/41/89/93/570418993.db2.gz ZXDGXWMBQAGHHO-UHFFFAOYSA-N 0 0 382.501 3.379 40 0 GGABRN COc1ccc(C(=O)NCC(=O)N(C)Cc2ccc3ccccc3c2)cc1OC ZINC000013022820 570419402 /nfs/dbraw/zinc/41/94/02/570419402.db2.gz UNHZRBAWCJTGPH-UHFFFAOYSA-N 0 0 392.455 3.245 40 0 GGABRN COc1ccc(CN2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1 ZINC000024118950 570419420 /nfs/dbraw/zinc/41/94/20/570419420.db2.gz ICHBTGBITLAPFY-UHFFFAOYSA-N 0 0 375.472 3.444 40 0 GGABRN Cc1nnc(SCC(=O)NCc2cc3ccccc3n2C)n1-c1ccccc1 ZINC000004973445 570420357 /nfs/dbraw/zinc/42/03/57/570420357.db2.gz GUZLSEQAVOQYJO-UHFFFAOYSA-N 0 0 391.500 3.476 40 0 GGABRN CCOCCCNc1nc(C)nc2c1nnn2Cc1c(F)cccc1Cl ZINC000004968522 570420401 /nfs/dbraw/zinc/42/04/01/570420401.db2.gz CZTXEXWJFVKAPM-UHFFFAOYSA-N 0 0 378.839 3.209 40 0 GGABRN CNC(=O)c1ccc(/C=C2/NC(=S)N(c3ccc(Cl)cc3C)C2=O)cc1 ZINC000104572356 570421086 /nfs/dbraw/zinc/42/10/86/570421086.db2.gz PDWXXJVCFONMQU-XNTDXEJSSA-N 0 0 385.876 3.270 40 0 GGABRN COCCNC(=O)c1ccccc1NC(=O)CSCc1ccccc1F ZINC000222703151 570421327 /nfs/dbraw/zinc/42/13/27/570421327.db2.gz WDTGRUMUGCNCOY-UHFFFAOYSA-N 0 0 376.453 3.074 40 0 GGABRN COc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)c(OC)c1 ZINC000005007318 570423480 /nfs/dbraw/zinc/42/34/80/570423480.db2.gz DPNILTBUKDWMLK-RIYZIHGNSA-N 0 0 379.434 3.082 40 0 GGABRN Cc1cccc(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)c1 ZINC000222758789 570424398 /nfs/dbraw/zinc/42/43/98/570424398.db2.gz VJINUDZGQGUKGJ-UHFFFAOYSA-N 0 0 382.485 3.231 40 0 GGABRN C[C@@H](C(=O)NCc1ccc2ccccc2c1)N(c1ccccc1)S(C)(=O)=O ZINC000222762085 570424414 /nfs/dbraw/zinc/42/44/14/570424414.db2.gz OPERXSLDADCIBZ-INIZCTEOSA-N 0 0 382.485 3.311 40 0 GGABRN COC(=O)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C)cc1 ZINC000222766227 570424663 /nfs/dbraw/zinc/42/46/63/570424663.db2.gz LJWOTUNIMNYFHV-MOPGFXCFSA-N 0 0 392.484 3.261 40 0 GGABRN CCOCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000222763501 570424708 /nfs/dbraw/zinc/42/47/08/570424708.db2.gz MUUDHQKCTFFQBJ-IBGZPJMESA-N 0 0 382.504 3.189 40 0 GGABRN CS(=O)(=O)N(CC(=O)NCc1ccc2ccccc2c1)c1cccc(F)c1 ZINC000222766703 570424810 /nfs/dbraw/zinc/42/48/10/570424810.db2.gz HORHQWVFYPRGRR-UHFFFAOYSA-N 0 0 386.448 3.061 40 0 GGABRN Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NC(C)(C)C ZINC000007361642 570425019 /nfs/dbraw/zinc/42/50/19/570425019.db2.gz YVBUTFCTNOMPKM-UHFFFAOYSA-N 0 0 376.478 3.089 40 0 GGABRN CSc1nc2sc(C(=O)NCc3ccncc3)cc2c(N2CCCC2)n1 ZINC000007365781 570425077 /nfs/dbraw/zinc/42/50/77/570425077.db2.gz IDSYUOUCDMJLGJ-UHFFFAOYSA-N 0 0 385.518 3.338 40 0 GGABRN CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1C ZINC000007361637 570425163 /nfs/dbraw/zinc/42/51/63/570425163.db2.gz OOOAJWMGWHAAKS-HNNXBMFYSA-N 0 0 376.478 3.089 40 0 GGABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1 ZINC000222779458 570425532 /nfs/dbraw/zinc/42/55/32/570425532.db2.gz AVMVJYSTCDKLBU-INIZCTEOSA-N 0 0 386.517 3.092 40 0 GGABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSc1ccc(C)cc1 ZINC000222779085 570425614 /nfs/dbraw/zinc/42/56/14/570425614.db2.gz ZDWLPHTZKMTFBN-MRXNPFEDSA-N 0 0 386.517 3.259 40 0 GGABRN O=C(C1CC1)N1CCc2cc(S(=O)(=O)NC3CCCCCCC3)ccc21 ZINC000222784463 570425871 /nfs/dbraw/zinc/42/58/71/570425871.db2.gz CTFVIGHTULBNRP-UHFFFAOYSA-N 0 0 376.522 3.377 40 0 GGABRN CC(C)Oc1cccc(NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)c1 ZINC000222793046 570426090 /nfs/dbraw/zinc/42/60/90/570426090.db2.gz 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570472156 /nfs/dbraw/zinc/47/21/56/570472156.db2.gz AZODMZDHAHYWKJ-UHFFFAOYSA-N 0 0 378.469 3.102 40 0 GGABRN COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3C)no2)cc1C ZINC000223578978 570472428 /nfs/dbraw/zinc/47/24/28/570472428.db2.gz ANPBADYRQSDCIL-UHFFFAOYSA-N 0 0 387.461 3.183 40 0 GGABRN Cc1ccc(NC(=S)N(CCO)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000000651158 570472563 /nfs/dbraw/zinc/47/25/63/570472563.db2.gz STYZASFMRBMTEX-UHFFFAOYSA-N 0 0 381.501 3.336 40 0 GGABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)cc1 ZINC000223585791 570472675 /nfs/dbraw/zinc/47/26/75/570472675.db2.gz OGTQUJZEYWSEDA-UXHICEINSA-N 0 0 378.501 3.146 40 0 GGABRN Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCO ZINC000223585659 570472685 /nfs/dbraw/zinc/47/26/85/570472685.db2.gz KBWUCFUMCOQMKL-PMACEKPBSA-N 0 0 378.501 3.146 40 0 GGABRN CCCCN(CC(=O)Nc1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000006549572 570472952 /nfs/dbraw/zinc/47/29/52/570472952.db2.gz BCVOSJKMBXSFOX-UHFFFAOYSA-N 0 0 390.505 3.433 40 0 GGABRN 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/nfs/dbraw/zinc/47/53/95/570475395.db2.gz BAUHGULYPACXIV-UHFFFAOYSA-N 0 0 395.843 3.491 40 0 GGABRN COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000006282151 570475683 /nfs/dbraw/zinc/47/56/83/570475683.db2.gz BYCIRTQNHUWGEB-UHFFFAOYSA-N 0 0 396.896 3.225 40 0 GGABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C2CC2)c1C ZINC000223644207 570476161 /nfs/dbraw/zinc/47/61/61/570476161.db2.gz BAOWQEFKOKGKKJ-VQTJNVASSA-N 0 0 398.532 3.370 40 0 GGABRN COc1cccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)c1 ZINC000006306579 570476544 /nfs/dbraw/zinc/47/65/44/570476544.db2.gz CYQWEUJEQLEDFS-UHFFFAOYSA-N 0 0 381.476 3.252 40 0 GGABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(CC)c1C ZINC000223648413 570476582 /nfs/dbraw/zinc/47/65/82/570476582.db2.gz UFBXZSDMCSXCFB-RBUKOAKNSA-N 0 0 386.521 3.055 40 0 GGABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223652113 570477151 /nfs/dbraw/zinc/47/71/51/570477151.db2.gz OSPQGECPCLJXJW-MRXNPFEDSA-N 0 0 384.542 3.184 40 0 GGABRN CCC(=O)Nc1ccc(NC(=S)NC(=O)c2c(OC)cccc2OC)cc1 ZINC000006348875 570477833 /nfs/dbraw/zinc/47/78/33/570477833.db2.gz OGAGDWGXHOEQJO-UHFFFAOYSA-N 0 0 387.461 3.179 40 0 GGABRN COCc1cccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 ZINC000223684475 570478851 /nfs/dbraw/zinc/47/88/51/570478851.db2.gz PWDHFWACTXUYLN-UHFFFAOYSA-N 0 0 396.896 3.200 40 0 GGABRN CCc1cc(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)ccc1OC ZINC000223688513 570478862 /nfs/dbraw/zinc/47/88/62/570478862.db2.gz KUQFJOVZKJHYKW-UHFFFAOYSA-N 0 0 388.489 3.494 40 0 GGABRN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000000779190 570479359 /nfs/dbraw/zinc/47/93/59/570479359.db2.gz HKVGNVWVUJBRFC-UHFFFAOYSA-N 0 0 396.472 3.348 40 0 GGABRN COc1cc(OC)cc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)c1 ZINC000006414238 570479527 /nfs/dbraw/zinc/47/95/27/570479527.db2.gz NLMLMFSNZPSXSL-UHFFFAOYSA-N 0 0 399.472 3.402 40 0 GGABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC(C)(C)C)cc2)cc1 ZINC000006416071 570479530 /nfs/dbraw/zinc/47/95/30/570479530.db2.gz CDEFPDDTCFFPAQ-UHFFFAOYSA-N 0 0 376.478 3.089 40 0 GGABRN COCc1cccc(NC(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)c1 ZINC000223700359 570479710 /nfs/dbraw/zinc/47/97/10/570479710.db2.gz SVXQDCJEKKSHOT-UHFFFAOYSA-N 0 0 398.484 3.391 40 0 GGABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCCCC3)cc2c1 ZINC000000782099 570480372 /nfs/dbraw/zinc/48/03/72/570480372.db2.gz VLLKKNIUOAZDEH-LJQANCHMSA-N 0 0 394.523 3.407 40 0 GGABRN Cc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000260409021 570480398 /nfs/dbraw/zinc/48/03/98/570480398.db2.gz ZPKIWGXYVCZZJD-HUUCEWRRSA-N 0 0 378.469 3.166 40 0 GGABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCCCC3)cc2c1 ZINC000000782098 570480400 /nfs/dbraw/zinc/48/04/00/570480400.db2.gz VLLKKNIUOAZDEH-IBGZPJMESA-N 0 0 394.523 3.407 40 0 GGABRN Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCCCC3)c(=O)[nH]c2cc1C ZINC000000782528 570480405 /nfs/dbraw/zinc/48/04/05/570480405.db2.gz XAZKVNRAFICIAQ-IBGZPJMESA-N 0 0 394.523 3.462 40 0 GGABRN CCc1cc(S(=O)(=O)NCc2ccc(-n3ccnc3C)cc2)ccc1OC ZINC000223710852 570480615 /nfs/dbraw/zinc/48/06/15/570480615.db2.gz JSXQDHQSLWEOQS-UHFFFAOYSA-N 0 0 385.489 3.230 40 0 GGABRN CCOc1cc(CNS(=O)(=O)c2ccc(OC)c(CC)c2)ccc1OC ZINC000223711938 570480732 /nfs/dbraw/zinc/48/07/32/570480732.db2.gz YVYZURGKRGGUOS-UHFFFAOYSA-N 0 0 379.478 3.143 40 0 GGABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C(C)C)c1 ZINC000223713287 570480777 /nfs/dbraw/zinc/48/07/77/570480777.db2.gz ZYFWKYWOKUPMET-RBUKOAKNSA-N 0 0 386.521 3.390 40 0 GGABRN Cc1ccnc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1 ZINC000000784725 570480785 /nfs/dbraw/zinc/48/07/85/570480785.db2.gz OVQSDUOOZCTCRJ-IBGZPJMESA-N 0 0 385.423 3.236 40 0 GGABRN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3c(F)cccc3Cl)C2=O)cc1 ZINC000006479233 570481313 /nfs/dbraw/zinc/48/13/13/570481313.db2.gz JDSIRWQCZPCDOR-CXUHLZMHSA-N 0 0 387.798 3.319 40 0 GGABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1F ZINC000223723900 570481612 /nfs/dbraw/zinc/48/16/12/570481612.db2.gz MPNZCYZISOYZQY-CQSZACIVSA-N 0 0 392.858 3.411 40 0 GGABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C(C)C ZINC000223729837 570481720 /nfs/dbraw/zinc/48/17/20/570481720.db2.gz JHJWKILIBGTYJQ-RTBURBONSA-N 0 0 386.521 3.390 40 0 GGABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCC3)C2)c(C)c1 ZINC000000793410 570482027 /nfs/dbraw/zinc/48/20/27/570482027.db2.gz MNTWPFLMXIFEBT-QGZVFWFLSA-N 0 0 378.538 3.071 40 0 GGABRN CC[C@@H](C)c1ccc(OS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000024254364 570482653 /nfs/dbraw/zinc/48/26/53/570482653.db2.gz AKGHORHBIFSAMJ-CQSZACIVSA-N 0 0 397.518 3.218 40 0 GGABRN CCOc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 ZINC000223757309 570483418 /nfs/dbraw/zinc/48/34/18/570483418.db2.gz KQUZOAMHWYBOFH-UHFFFAOYSA-N 0 0 387.461 3.264 40 0 GGABRN CC(C)c1ccccc1OCCNC(=O)c1ccccc1N(C)S(C)(=O)=O ZINC000223764262 570483502 /nfs/dbraw/zinc/48/35/02/570483502.db2.gz BWOOLHDZTZZJPE-UHFFFAOYSA-N 0 0 390.505 3.015 40 0 GGABRN CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000000810093 570483629 /nfs/dbraw/zinc/48/36/29/570483629.db2.gz NYBRBFMDGIVZCU-KRWDZBQOSA-N 0 0 380.554 3.317 40 0 GGABRN CCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@@H]1c1ccc(F)c(F)c1 ZINC000000809428 570483653 /nfs/dbraw/zinc/48/36/53/570483653.db2.gz VSJATBHTZCWZIN-HNNXBMFYSA-N 0 0 399.349 3.329 40 0 GGABRN COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)c(C)c1C ZINC000223769620 570483802 /nfs/dbraw/zinc/48/38/02/570483802.db2.gz RJQGGRJJYKRLGE-UHFFFAOYSA-N 0 0 393.490 3.244 40 0 GGABRN CCCn1nnc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3)o2)n1 ZINC000006593895 570484319 /nfs/dbraw/zinc/48/43/19/570484319.db2.gz GWHQWTFMPKUNDM-UHFFFAOYSA-N 0 0 390.856 3.123 40 0 GGABRN CCCCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000006596840 570484399 /nfs/dbraw/zinc/48/43/99/570484399.db2.gz NCAWEHXVAFPXFO-UHFFFAOYSA-N 0 0 388.533 3.226 40 0 GGABRN Cc1cccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 ZINC000000817145 570484639 /nfs/dbraw/zinc/48/46/39/570484639.db2.gz QFLWXVUIIQXSDI-UHFFFAOYSA-N 0 0 386.395 3.419 40 0 GGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1cc(C)cc(C)c1 ZINC000223799921 570485236 /nfs/dbraw/zinc/48/52/36/570485236.db2.gz OIXORIJBYLRUGX-QGZVFWFLSA-N 0 0 386.467 3.375 40 0 GGABRN CC(C)Oc1ccccc1NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000223794163 570485291 /nfs/dbraw/zinc/48/52/91/570485291.db2.gz VHFMTSOGRRDICL-SFHVURJKSA-N 0 0 376.478 3.045 40 0 GGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C)c(C)c1 ZINC000223800054 570485322 /nfs/dbraw/zinc/48/53/22/570485322.db2.gz JVRWDEKLHOXJLE-QGZVFWFLSA-N 0 0 386.467 3.375 40 0 GGABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)cc1 ZINC000223826830 570485801 /nfs/dbraw/zinc/48/58/01/570485801.db2.gz ZLFKAYGNRHIGRR-UHFFFAOYSA-N 0 0 397.836 3.104 40 0 GGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C)cc1C ZINC000223831716 570486142 /nfs/dbraw/zinc/48/61/42/570486142.db2.gz IKYCILOTDDBMEC-QGZVFWFLSA-N 0 0 386.467 3.375 40 0 GGABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1cccc(C)c1C ZINC000223831626 570486267 /nfs/dbraw/zinc/48/62/67/570486267.db2.gz GAPLHBBTJDCIQA-KRWDZBQOSA-N 0 0 386.467 3.375 40 0 GGABRN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1 ZINC000223852029 570487179 /nfs/dbraw/zinc/48/71/79/570487179.db2.gz CDWSCIYXCCJFCX-UHFFFAOYSA-N 0 0 390.505 3.044 40 0 GGABRN COc1cccc(-c2noc(CNC(=O)COc3ccc4c(c3)CCCC4)n2)c1 ZINC000223844708 570487192 /nfs/dbraw/zinc/48/71/92/570487192.db2.gz KQZXTFDJCSBNOI-UHFFFAOYSA-N 0 0 393.443 3.319 40 0 GGABRN COC(=O)c1cc(S(=O)(=O)NCc2cccc(OC(C)C)c2)ccc1Cl ZINC000223861895 570487603 /nfs/dbraw/zinc/48/76/03/570487603.db2.gz SKVMBLIZOPYVRR-UHFFFAOYSA-N 0 0 397.880 3.392 40 0 GGABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223856264 570487629 /nfs/dbraw/zinc/48/76/29/570487629.db2.gz ZLLDUKNHPVVIBM-IFXJQAMLSA-N 0 0 391.489 3.134 40 0 GGABRN CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223874035 570487909 /nfs/dbraw/zinc/48/79/09/570487909.db2.gz ROTSTNBDXNPVAV-YOEHRIQHSA-N 0 0 391.489 3.134 40 0 GGABRN COc1cc(NC=Cc2nnnn2-c2ccc(F)cc2)c(C(C)=O)cc1OC ZINC000006692816 570487987 /nfs/dbraw/zinc/48/79/87/570487987.db2.gz AIFITMXKRXCBOY-HJWRWDBZSA-N 0 0 383.383 3.104 40 0 GGABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223870626 570488030 /nfs/dbraw/zinc/48/80/30/570488030.db2.gz HYHDMZVHMHTUOU-AUUYWEPGSA-N 0 0 391.489 3.134 40 0 GGABRN CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223870572 570488098 /nfs/dbraw/zinc/48/80/98/570488098.db2.gz HYHDMZVHMHTUOU-LIRRHRJNSA-N 0 0 391.489 3.134 40 0 GGABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(OC)cc1 ZINC000223879474 570488408 /nfs/dbraw/zinc/48/84/08/570488408.db2.gz OJTLITAFVSQICH-MRXNPFEDSA-N 0 0 386.467 3.320 40 0 GGABRN Cc1ccc(N([C@@H](C)C(=O)NCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000223887863 570488953 /nfs/dbraw/zinc/48/89/53/570488953.db2.gz FLXNXCHCQVMNOM-HNNXBMFYSA-N 0 0 394.924 3.162 40 0 GGABRN CC[C@H](NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccccc1C ZINC000223916390 570490070 /nfs/dbraw/zinc/49/00/70/570490070.db2.gz PRAHGWFPVHDDPO-ZDUSSCGKSA-N 0 0 396.538 3.261 40 0 GGABRN COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223917792 570490232 /nfs/dbraw/zinc/49/02/32/570490232.db2.gz OPHHZKNMVUFKFV-UHFFFAOYSA-N 0 0 396.468 3.426 40 0 GGABRN COC(=O)c1cc(S(=O)(=O)N[C@H]2CCCc3cc(OC)ccc32)ccc1C ZINC000223976628 570492231 /nfs/dbraw/zinc/49/22/31/570492231.db2.gz FYAWHRZMKYYWFK-IBGZPJMESA-N 0 0 389.473 3.146 40 0 GGABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(C)cc1 ZINC000223976967 570492302 /nfs/dbraw/zinc/49/23/02/570492302.db2.gz ATRXLVWILMCVAQ-SFHVURJKSA-N 0 0 376.478 3.187 40 0 GGABRN CCC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000223984028 570492728 /nfs/dbraw/zinc/49/27/28/570492728.db2.gz JXHVPWZBXQSSTI-AWEZNQCLSA-N 0 0 376.478 3.414 40 0 GGABRN Cc1noc(C)c1CN1C[C@@H]2[C@H](C1)Oc1ccc(C(F)(F)F)cc1C(=O)N2C ZINC000514288630 570492958 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CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1 ZINC000225006553 570543012 /nfs/dbraw/zinc/54/30/12/570543012.db2.gz HFPVVGAGJQOWTO-GOSISDBHSA-N 0 0 398.503 3.326 40 0 GGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)cc1 ZINC000225006688 570543120 /nfs/dbraw/zinc/54/31/20/570543120.db2.gz FWXSWXAKNIJSPF-SFHVURJKSA-N 0 0 398.503 3.326 40 0 GGABRN Cc1cccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cccnc3)C2=O)c1 ZINC000002394970 570543856 /nfs/dbraw/zinc/54/38/56/570543856.db2.gz MEXIFCKJJODSBW-NJYVYQBISA-N 0 0 385.423 3.441 40 0 GGABRN Cc1ccc(N(CCCC(=O)NCCSC2CCCC2)S(C)(=O)=O)cc1 ZINC000225027635 570544131 /nfs/dbraw/zinc/54/41/31/570544131.db2.gz WMJILMNYPMSBJT-UHFFFAOYSA-N 0 0 398.594 3.333 40 0 GGABRN O=C(CCCCN1C(=O)c2ccccc2C1=O)Nc1nc2c(s1)CCCC2 ZINC000002500727 570544301 /nfs/dbraw/zinc/54/43/01/570544301.db2.gz UFPVZBSPBPLDDZ-UHFFFAOYSA-N 0 0 383.473 3.427 40 0 GGABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)COc2cccc3c2CCCC3)c1 ZINC000225035362 570544472 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CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(OC)cc1 ZINC000225071939 570546973 /nfs/dbraw/zinc/54/69/73/570546973.db2.gz QYONSZMPNXBEPT-OAQYLSRUSA-N 0 0 398.503 3.408 40 0 GGABRN CCCCc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 ZINC000225082430 570547594 /nfs/dbraw/zinc/54/75/94/570547594.db2.gz MSNXXIDINLQSBE-UHFFFAOYSA-N 0 0 386.473 3.483 40 0 GGABRN COc1ccc(CN2CCN([C@H](C)C(=O)Nc3ccccc3C)CC2)cc1OC ZINC000022789460 570547978 /nfs/dbraw/zinc/54/79/78/570547978.db2.gz WEOXHFIQENSSNH-GOSISDBHSA-N 0 0 397.519 3.157 40 0 GGABRN O=C(C1=C2C(O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN12)c1ccccc1 ZINC000035073842 570549185 /nfs/dbraw/zinc/54/91/85/570549185.db2.gz LNFNIZFZHGGWDR-YRXWBPOGSA-N 0 0 394.858 3.175 40 0 GGABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)c(C)c1 ZINC000069511452 570549340 /nfs/dbraw/zinc/54/93/40/570549340.db2.gz UIERADOYVXUZCH-SFHVURJKSA-N 0 0 392.565 3.461 40 0 GGABRN CCn1c2ccc(NC(=O)c3cccc(N4CCCC4=O)c3)cc2sc1=O ZINC000225104714 570549349 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AILKETOOEUNFHT-WUXMJOGZSA-N 0 0 393.346 3.174 40 0 GGABRN O=C(CN1C(=O)S/C(=C/c2ccco2)C1=O)Nc1ccc(F)c(F)c1F ZINC000409326564 231190267 /nfs/dbraw/zinc/19/02/67/231190267.db2.gz LXWCICGQHXOPED-IZZDOVSWSA-N 0 0 382.319 3.372 40 0 GGABRN Cc1cccc(CSCCNC(=O)c2ccccc2N(C)S(C)(=O)=O)c1 ZINC000409338139 231192190 /nfs/dbraw/zinc/19/21/90/231192190.db2.gz DSTWMQLLALLRLL-UHFFFAOYSA-N 0 0 392.546 3.054 40 0 GGABRN Nc1c(C(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)cnn1-c1ccc(F)cc1 ZINC000019368718 210244363 /nfs/dbraw/zinc/24/43/63/210244363.db2.gz PMTIXEBGCAOILF-INIZCTEOSA-N 0 0 392.434 3.329 40 0 GGABRN COc1ccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(OC)c1C ZINC000409390063 231199860 /nfs/dbraw/zinc/19/98/60/231199860.db2.gz DMDRYDVTEZEZEE-ZDLGFXPLSA-N 0 0 380.469 3.399 40 0 GGABRN Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409392571 231200014 /nfs/dbraw/zinc/20/00/14/231200014.db2.gz RLZPKJYRHKVVRL-UHFFFAOYSA-N 0 0 396.896 3.353 40 0 GGABRN Cc1ccc(N([C@H](C)C(=O)NCCSC2CCCCC2)S(C)(=O)=O)cc1 ZINC000409409282 231201967 /nfs/dbraw/zinc/20/19/67/231201967.db2.gz GTPVRVLPRRMDPC-MRXNPFEDSA-N 0 0 398.594 3.332 40 0 GGABRN CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccccc1O ZINC000409412182 231202413 /nfs/dbraw/zinc/20/24/13/231202413.db2.gz STSJCQLNUWVNQR-UHFFFAOYSA-N 0 0 384.461 3.410 40 0 GGABRN CCc1nn2c(nnc(S(C)(=O)=O)c2-c2ccccc2)c1-c1ccccc1 ZINC000409417613 231204973 /nfs/dbraw/zinc/20/49/73/231204973.db2.gz JPTGFJSYPOSCQP-UHFFFAOYSA-N 0 0 378.457 3.424 40 0 GGABRN O=C(NCC1(c2ccccc2F)CCCC1)[C@H]1CC(=O)N(Cc2ccncc2)C1 ZINC000019347927 210243263 /nfs/dbraw/zinc/24/32/63/210243263.db2.gz OWPDYVPIEGDTQF-SFHVURJKSA-N 0 0 395.478 3.197 40 0 GGABRN O=C(CCc1nc(-c2ccncc2)no1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000019335680 210242546 /nfs/dbraw/zinc/24/25/46/210242546.db2.gz MKELHJJYMXQBHW-UHFFFAOYSA-N 0 0 396.422 3.273 40 0 GGABRN NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)C2CCCC2)C1 ZINC000019333469 210242219 /nfs/dbraw/zinc/24/22/19/210242219.db2.gz OXWJVIQVZQEFJY-QHCPKHFHSA-N 0 0 377.488 3.185 40 0 GGABRN CCc1c(C)nc2s/c(=C\c3c(C)n(CC)c4c3cccc4C)c(=O)n2c1=O ZINC000409039227 529491835 /nfs/dbraw/zinc/49/18/35/529491835.db2.gz QXZNRTBFBIACMO-WQRHYEAKSA-N 0 0 393.512 3.126 40 0 GGABRN O=C(c1ncoc1-c1cccs1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019344079 210242097 /nfs/dbraw/zinc/24/20/97/210242097.db2.gz APQMZCCCVHZETI-UHFFFAOYSA-N 0 0 397.456 3.090 40 0 GGABRN O=C(NCCn1ncc(-c2ccncc2)c1C1CC1)c1cc(-c2cccnc2)n[nH]1 ZINC000019340256 210242113 /nfs/dbraw/zinc/24/21/13/210242113.db2.gz IWVKHHZRQWNXKI-UHFFFAOYSA-N 0 0 399.458 3.038 40 0 GGABRN O=S(=O)(c1ccc(F)cc1)N1CC[C@H](c2nnc(-c3ccsc3)o2)C1 ZINC000019335067 210242183 /nfs/dbraw/zinc/24/21/83/210242183.db2.gz VQCOYSZIRGJTAZ-NSHDSACASA-N 0 0 379.438 3.115 40 0 GGABRN O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1ccc3cc(F)ccc3n1)C2 ZINC000019340109 210241880 /nfs/dbraw/zinc/24/18/80/210241880.db2.gz IQSPFELDXGPAOM-UHFFFAOYSA-N 0 0 387.418 3.490 40 0 GGABRN O=C(C1CCC1)N1CCNC(=O)[C@@H](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000019331269 210241551 /nfs/dbraw/zinc/24/15/51/210241551.db2.gz RCXVUPHWQHIEOB-FQEVSTJZSA-N 0 0 380.463 3.410 40 0 GGABRN NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCCN(C(=O)C2CCC2)C1 ZINC000019340638 210241407 /nfs/dbraw/zinc/24/14/07/210241407.db2.gz ZAACZDFFJNBNFE-QHCPKHFHSA-N 0 0 377.488 3.185 40 0 GGABRN O=C(COc1ccc(NC(=O)c2n[nH]c3c2CCCCCC3)cc1)N1CCCC1 ZINC000019335535 210241185 /nfs/dbraw/zinc/24/11/85/210241185.db2.gz CTDLZYDJJNHMNZ-UHFFFAOYSA-N 0 0 396.491 3.322 40 0 GGABRN O=C(c1cccc(Cn2cncn2)c1)N1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000019293268 210239386 /nfs/dbraw/zinc/23/93/86/210239386.db2.gz GQMWCJCRWOKIKU-GOSISDBHSA-N 0 0 394.450 3.397 40 0 GGABRN C[C@@H](Sc1nnc(SCC(N)=O)s1)c1nnc(-c2cccs2)o1 ZINC000019298023 210239076 /nfs/dbraw/zinc/23/90/76/210239076.db2.gz VZXPYEFRFGVZPB-ZCFIWIBFSA-N 0 0 385.521 3.080 40 0 GGABRN COc1cc(CCC(=O)N2CCC[C@H]2c2nc(C)ncc2-c2ccncc2)on1 ZINC000019286857 210238650 /nfs/dbraw/zinc/23/86/50/210238650.db2.gz IZOPAAYUCJFMTB-SFHVURJKSA-N 0 0 393.447 3.140 40 0 GGABRN Cc1nccc(-c2cccc(-c3noc(CN4CCCC[C@@H]4CCO)n3)c2)n1 ZINC000019287599 210238657 /nfs/dbraw/zinc/23/86/57/210238657.db2.gz KFKDPCLHFUXQHG-GOSISDBHSA-N 0 0 379.464 3.239 40 0 GGABRN CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cc(C)ccc2C)C1 ZINC000408653116 529594161 /nfs/dbraw/zinc/59/41/61/529594161.db2.gz IBVUCHGIPFPAIK-SFHVURJKSA-N 0 0 394.471 3.401 40 0 GGABRN Cc1nnnn1-c1ccc(CC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2C)cc1 ZINC000019288428 210238234 /nfs/dbraw/zinc/23/82/34/210238234.db2.gz YJIWEIHDCOOZLA-AWEZNQCLSA-N 0 0 386.459 3.140 40 0 GGABRN Cn1c2ccccc2nc1N1CCC(C(=O)NCCc2ccccc2F)CC1 ZINC000019289971 210238180 /nfs/dbraw/zinc/23/81/80/210238180.db2.gz NSNVWDUDEIRMFT-UHFFFAOYSA-N 0 0 380.467 3.288 40 0 GGABRN Cn1cc(-c2ccno2)c(C(=O)N[C@H](Cc2ccsc2)c2cccnc2)n1 ZINC000019290009 210237500 /nfs/dbraw/zinc/23/75/00/210237500.db2.gz WPMCUHIRUGIATK-MRXNPFEDSA-N 0 0 379.445 3.245 40 0 GGABRN Cc1nccn1CCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N2 ZINC000019288146 210237358 /nfs/dbraw/zinc/23/73/58/210237358.db2.gz MTZQOWAOUXSSOI-DZGCQCFKSA-N 0 0 398.433 3.152 40 0 GGABRN COc1cccc(-c2cnc(NC[C@@H]3CCCOC3)nc2-c2nccn2C)c1 ZINC000019291627 210237394 /nfs/dbraw/zinc/23/73/94/210237394.db2.gz NFUSYSHKNJPRRP-HNNXBMFYSA-N 0 0 379.464 3.391 40 0 GGABRN Cc1nc2ccccc2n1C[C@@H](C)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000019286753 210237427 /nfs/dbraw/zinc/23/74/27/210237427.db2.gz CZACIVPGRHOPBY-CHWSQXEVSA-N 0 0 378.432 3.339 40 0 GGABRN Cn1nc(C(=O)N2CCc3onc(Nc4ccccc4)c3C2)cc1C(F)(F)F ZINC000019288750 210237053 /nfs/dbraw/zinc/23/70/53/210237053.db2.gz UCBGPQGRGLJAMI-UHFFFAOYSA-N 0 0 391.353 3.369 40 0 GGABRN Cc1nc2ccccc2n1[C@H](C)C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000019286682 210236871 /nfs/dbraw/zinc/23/68/71/210236871.db2.gz RFJLACDFRWLOSO-QGZVFWFLSA-N 0 0 392.503 3.054 40 0 GGABRN Cc1cccnc1[C@@H](Cc1ccsc1)NCc1cnc(N2CCOCC2)nc1 ZINC000019237660 210236306 /nfs/dbraw/zinc/23/63/06/210236306.db2.gz NKDQJIKJTYDXCG-LJQANCHMSA-N 0 0 395.532 3.152 40 0 GGABRN Cc1nc(C)n(C[C@H](C)C(=O)N[C@H](Cc2ccsc2)c2ncccc2C)n1 ZINC000019237608 210235981 /nfs/dbraw/zinc/23/59/81/210235981.db2.gz VULOSOXDXLSUCJ-KBXCAEBGSA-N 0 0 383.521 3.396 40 0 GGABRN Cc1cnc(C(=O)N2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cn1 ZINC000019238890 210235712 /nfs/dbraw/zinc/23/57/12/210235712.db2.gz QXTDGIDKGARQHL-VCTAVGKDSA-N 0 0 394.401 3.266 40 0 GGABRN Cc1csc([C@@H](Cc2ccsc2)NC(=O)c2cc3c([nH]c2=O)CCC3)n1 ZINC000019240196 210235823 /nfs/dbraw/zinc/23/58/23/210235823.db2.gz ABLFUZSFXRFZQF-MRXNPFEDSA-N 0 0 385.514 3.404 40 0 GGABRN Cc1csc(NC(=O)C2CCC3(CC2)CN(C)C(=O)c2ccccc2O3)n1 ZINC000019240259 210235126 /nfs/dbraw/zinc/23/51/26/210235126.db2.gz ZMPRYJKJSLPYEW-UHFFFAOYSA-N 0 0 385.489 3.484 40 0 GGABRN CCc1ccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 ZINC000408615625 529661514 /nfs/dbraw/zinc/66/15/14/529661514.db2.gz RIFVLDDVVVHAPJ-KRWDZBQOSA-N 0 0 388.533 3.153 40 0 GGABRN Cc1cnn(CC(=O)N[C@H](CCc2ccccc2)c2ccc3c(c2)OCCO3)c1 ZINC000019239928 210234767 /nfs/dbraw/zinc/23/47/67/210234767.db2.gz CQVZWKLCUNHAIS-HXUWFJFHSA-N 0 0 391.471 3.453 40 0 GGABRN CCc1ccc(N2C[C@@H](C(=O)NCCOc3ccc(Cl)cc3)CC2=O)cc1 ZINC000059488274 529663674 /nfs/dbraw/zinc/66/36/74/529663674.db2.gz YFHZENQLIXGAHB-INIZCTEOSA-N 0 0 386.879 3.451 40 0 GGABRN COc1ccc(CN2CCc3nc4c(C)csc4c(=O)n3CC2)c(C)c1C ZINC000019240312 210234666 /nfs/dbraw/zinc/23/46/66/210234666.db2.gz SJMTYCPJCZOZPW-UHFFFAOYSA-N 0 0 383.517 3.450 40 0 GGABRN COc1c(C)cccc1CN1CCCC[C@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019235988 210234161 /nfs/dbraw/zinc/23/41/61/210234161.db2.gz BCTFEHLOXSHJIC-NRFANRHFSA-N 0 0 394.519 3.425 40 0 GGABRN Cc1cccc(N2C[C@@H](c3cc(=O)[nH]c(N4CCC(C)CC4)n3)CC2=O)c1C ZINC000019235553 210233993 /nfs/dbraw/zinc/23/39/93/210233993.db2.gz MHFSZBGGQOIUNF-KRWDZBQOSA-N 0 0 380.492 3.144 40 0 GGABRN CC(=O)N1CCc2nc([C@H]3CCCCN3CCOc3cccc(C)c3)ncc2C1 ZINC000019235197 210233711 /nfs/dbraw/zinc/23/37/11/210233711.db2.gz CVOSXCFDVVVCOJ-JOCHJYFZSA-N 0 0 394.519 3.296 40 0 GGABRN Cc1cccc(-c2ccc(C[C@]3(C(N)=O)CN(C(=O)C4CCC4)CCO3)cc2)c1 ZINC000019235348 210233791 /nfs/dbraw/zinc/23/37/91/210233791.db2.gz MGNRZQGRVWISIP-XMMPIXPASA-N 0 0 392.499 3.088 40 0 GGABRN Cc1cccc(N2C[C@@H](c3cc(=O)[nH]c(N4CCC[C@H](C)C4)n3)CC2=O)c1C ZINC000019235556 210232960 /nfs/dbraw/zinc/23/29/60/210232960.db2.gz IXXSWFWJYPTZNN-YOEHRIQHSA-N 0 0 380.492 3.144 40 0 GGABRN Cc1cccc(CC(=O)N[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C(C)C)c1 ZINC000019234849 210232979 /nfs/dbraw/zinc/23/29/79/210232979.db2.gz NJKVICOFXWZZKH-OAQYLSRUSA-N 0 0 376.460 3.196 40 0 GGABRN Cc1cnc(-c2nnc([C@@H]3CCN(C(=O)c4cc5c(cccc5C)[nH]4)C3)o2)cn1 ZINC000019236659 210232765 /nfs/dbraw/zinc/23/27/65/210232765.db2.gz FYYLGMNDPZSKQO-CQSZACIVSA-N 0 0 388.431 3.254 40 0 GGABRN Cc1noc(C)c1CC(=O)N1CCN(CCCOc2cccc(C)c2C)CC1 ZINC000019235718 210232556 /nfs/dbraw/zinc/23/25/56/210232556.db2.gz ZWOPXCGFMVXHBL-UHFFFAOYSA-N 0 0 385.508 3.064 40 0 GGABRN Cc1cccc(-c2ccc(C[C@@]3(C(N)=O)CN(C(=O)C4CCC4)CCO3)cc2)c1 ZINC000019235347 210232625 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GGABRN Cc1csc(NC(=O)CN2CCC3(CC2)CC(=O)c2cc(C)ccc2O3)n1 ZINC000019218320 210231600 /nfs/dbraw/zinc/23/16/00/210231600.db2.gz MGUZDRFNPGRVRK-UHFFFAOYSA-N 0 0 385.489 3.198 40 0 GGABRN COc1cccc(CN2CCN(C(=O)c3nc4cc(C)ccc4[nH]3)[C@@H](C)C2)c1 ZINC000019219661 210231034 /nfs/dbraw/zinc/23/10/34/210231034.db2.gz WNGDTVJRSVSUJK-INIZCTEOSA-N 0 0 378.476 3.226 40 0 GGABRN Cc1ccc(-c2ccccc2C[C@H]2CN(C(=O)c3ccccn3)CCNC2=O)cc1 ZINC000019212914 210230804 /nfs/dbraw/zinc/23/08/04/210230804.db2.gz AMBGHJMKKAHMRV-NRFANRHFSA-N 0 0 399.494 3.488 40 0 GGABRN Cc1ccc(-c2cc(C[C@@]3(C(=O)N(C)C)CCCN(C(=O)C4CC4)C3)on2)cc1 ZINC000019212234 210230389 /nfs/dbraw/zinc/23/03/89/210230389.db2.gz RYIINXFCGLCFJM-QHCPKHFHSA-N 0 0 395.503 3.300 40 0 GGABRN CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)N4CCCN4[C@]3(C)C2=O)cc1 ZINC000019169697 210229649 /nfs/dbraw/zinc/22/96/49/210229649.db2.gz HXJIDWIDNARNRH-VIZSFHNOSA-N 0 0 391.471 3.011 40 0 GGABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3OCC(=O)OC)S2)cc1 ZINC000408786846 529690047 /nfs/dbraw/zinc/69/00/47/529690047.db2.gz OOTNAYKEVYKMKA-CNEDASOKSA-N 0 0 398.484 3.400 40 0 GGABRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000019169614 210229427 /nfs/dbraw/zinc/22/94/27/210229427.db2.gz FIBGAHRFAAWHNW-QRVBRYPASA-N 0 0 381.863 3.184 40 0 GGABRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)N4CCCN4[C@@H]3C2=O)cc1Cl ZINC000019169657 210229522 /nfs/dbraw/zinc/22/95/22/210229522.db2.gz XRZRKMZHEIFWSF-QYZOEREBSA-N 0 0 381.863 3.184 40 0 GGABRN Cc1nn(C(C)C)cc1S(=O)(=O)NCC1(c2ccc(C)cc2)CCOCC1 ZINC000019208762 210229554 /nfs/dbraw/zinc/22/95/54/210229554.db2.gz APURLJDRXSSKOW-UHFFFAOYSA-N 0 0 391.537 3.108 40 0 GGABRN Cc1ccc(CC(=O)N[C@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C(C)C)cc1 ZINC000019209964 210229191 /nfs/dbraw/zinc/22/91/91/210229191.db2.gz BFCACSCZYWXNTP-NRFANRHFSA-N 0 0 376.460 3.196 40 0 GGABRN CCc1cc2c(ncnc2N2CCN(Cc3nc4ccccc4[nH]3)CC2)s1 ZINC000019202710 210229222 /nfs/dbraw/zinc/22/92/22/210229222.db2.gz QAVXEIGASJHQPQ-UHFFFAOYSA-N 0 0 378.505 3.452 40 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ZINC000019136055 210227800 /nfs/dbraw/zinc/22/78/00/210227800.db2.gz HHIPQUNHUPFGBY-GAJHUEQPSA-N 0 0 378.472 3.282 40 0 GGABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)c3c(C)noc3C)C1)N2 ZINC000019128139 210227870 /nfs/dbraw/zinc/22/78/70/210227870.db2.gz VMFBAPHEESMKMR-QLFBSQMISA-N 0 0 393.438 3.339 40 0 GGABRN Cc1cc(-c2cn(C)nc2[C@H]2CCCN2C(=O)Cn2ccnc2C(C)C)on1 ZINC000019121499 210227505 /nfs/dbraw/zinc/22/75/05/210227505.db2.gz GGIYFIYIPOITDG-MRXNPFEDSA-N 0 0 382.468 3.067 40 0 GGABRN CSc1ncc(CN2CCC(c3nnsc3-c3cc(C)no3)CC2)cn1 ZINC000019120824 210227559 /nfs/dbraw/zinc/22/75/59/210227559.db2.gz RZNYJEGFXAVMJG-UHFFFAOYSA-N 0 0 388.522 3.393 40 0 GGABRN Cc1cc(-c2cncnc2-c2ccc(CNC(=O)C[C@H]3CCCO3)cc2)on1 ZINC000019124282 210227570 /nfs/dbraw/zinc/22/75/70/210227570.db2.gz OENKTPZIRPHECR-QGZVFWFLSA-N 0 0 378.432 3.292 40 0 GGABRN COC(=O)[C@@H]1CCCN(c2ncc(-c3cc(C)no3)c(-c3ccoc3C)n2)C1 ZINC000019124079 210227391 /nfs/dbraw/zinc/22/73/91/210227391.db2.gz UDXBGPSYCXVDJW-CQSZACIVSA-N 0 0 382.420 3.398 40 0 GGABRN COc1cc(C)ccc1OCC(=O)N1CCC[C@@H]1c1ccnc2cc(C)nn21 ZINC000019134270 210227475 /nfs/dbraw/zinc/22/74/75/210227475.db2.gz ASVHKTZVYCYMLA-MRXNPFEDSA-N 0 0 380.448 3.097 40 0 GGABRN Cc1cc(-c2cn(C)nc2[C@@H]2CCCN2C(=O)Cn2ccnc2C(C)C)on1 ZINC000019121502 210227156 /nfs/dbraw/zinc/22/71/56/210227156.db2.gz GGIYFIYIPOITDG-INIZCTEOSA-N 0 0 382.468 3.067 40 0 GGABRN Cc1ccc([C@H](C)C(=O)N2CCC[C@@]3(C2)CNC(=O)c2ccccc2O3)cc1 ZINC000019136063 210226890 /nfs/dbraw/zinc/22/68/90/210226890.db2.gz HHIPQUNHUPFGBY-SBUREZEXSA-N 0 0 378.472 3.282 40 0 GGABRN Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(C(=O)C3CC3)CC2)on1 ZINC000019122750 210226797 /nfs/dbraw/zinc/22/67/97/210226797.db2.gz QTAJLYAIIUKZLR-UHFFFAOYSA-N 0 0 381.480 3.156 40 0 GGABRN CC(C)(C)C(=O)Cn1nc2nnc(-c3cccs3)c(-c3cccs3)n2c1=O ZINC000019080976 210226177 /nfs/dbraw/zinc/22/61/77/210226177.db2.gz KIWZEUWDCVYHFU-UHFFFAOYSA-N 0 0 399.501 3.358 40 0 GGABRN CC(C)(C)CC(=O)N1CCO[C@](Cc2cccc(-c3ccccc3)c2)(C(N)=O)C1 ZINC000019082683 210225840 /nfs/dbraw/zinc/22/58/40/210225840.db2.gz ZNKYTRXAEYQXEF-DEOSSOPVSA-N 0 0 394.515 3.415 40 0 GGABRN CC(C)(C)C(=O)N1CCO[C@](Cc2cccc(-c3ccccc3)c2)(C(N)=O)C1 ZINC000019081471 210225900 /nfs/dbraw/zinc/22/59/00/210225900.db2.gz UVYHOGJPDPSOAQ-QHCPKHFHSA-N 0 0 380.488 3.025 40 0 GGABRN Cc1cc(C)n(-c2nc(C(=O)N3CCC(Oc4cccnc4)CC3)cs2)n1 ZINC000019116441 210225911 /nfs/dbraw/zinc/22/59/11/210225911.db2.gz XOWAABWPZMFMGX-UHFFFAOYSA-N 0 0 383.477 3.024 40 0 GGABRN COc1ccc(-c2ccccc2C[C@H]2CN(C(=O)C(C)C)CCNC2=O)cc1 ZINC000019085773 210225195 /nfs/dbraw/zinc/22/51/95/210225195.db2.gz BNKDAMNDMLEOMI-IBGZPJMESA-N 0 0 380.488 3.135 40 0 GGABRN COc1ncc(C(=O)N2CCC[C@H](c3nc(C)cc(-c4cccs4)n3)C2)cn1 ZINC000019117886 210224942 /nfs/dbraw/zinc/22/49/42/210224942.db2.gz DRTPJEDFHNPAOL-AWEZNQCLSA-N 0 0 395.488 3.332 40 0 GGABRN COCC(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 ZINC000019084049 210224891 /nfs/dbraw/zinc/22/48/91/210224891.db2.gz YFIQASORWROHJG-MELADBBJSA-N 0 0 384.471 3.056 40 0 GGABRN Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)CCCn3cncn3)C2)n1 ZINC000019117665 210224626 /nfs/dbraw/zinc/22/46/26/210224626.db2.gz ZRLRSISVYQNXIC-MRXNPFEDSA-N 0 0 396.520 3.291 40 0 GGABRN C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1 ZINC000019080546 210224644 /nfs/dbraw/zinc/22/46/44/210224644.db2.gz MEGHXTZROYWKHA-ZDUSSCGKSA-N 0 0 399.422 3.062 40 0 GGABRN CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)c3ccoc3)CC2)C1 ZINC000019019938 210224260 /nfs/dbraw/zinc/22/42/60/210224260.db2.gz IVLQHOMZSMPSFH-UHFFFAOYSA-N 0 0 382.460 3.474 40 0 GGABRN COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)[C@@H](C)Oc2cccc(F)c2)cc1 ZINC000019079493 210223822 /nfs/dbraw/zinc/22/38/22/210223822.db2.gz AJEBQROMRCFOLL-SZNDQCEHSA-N 0 0 395.434 3.499 40 0 GGABRN CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)c3ccncc3)CC2)C1 ZINC000019019932 210223773 /nfs/dbraw/zinc/22/37/73/210223773.db2.gz QUSFAQZIDGRYKH-UHFFFAOYSA-N 0 0 393.487 3.276 40 0 GGABRN CC[C@H](C)NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000408705671 529702878 /nfs/dbraw/zinc/70/28/78/529702878.db2.gz KYJQLLDPKCDXRX-NSHDSACASA-N 0 0 381.325 3.454 40 0 GGABRN CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C(=O)Cc1cccnc1 ZINC000019019560 210223556 /nfs/dbraw/zinc/22/35/56/210223556.db2.gz GDXMGAAEFKRPMA-ZDXQCDESSA-N 0 0 391.515 3.410 40 0 GGABRN COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)[C@@H](C)n2cc(Cl)cn2)cc1 ZINC000019079517 210223595 /nfs/dbraw/zinc/22/35/95/210223595.db2.gz KROJCANFOYWRNI-XIKOKIGWSA-N 0 0 385.855 3.004 40 0 GGABRN COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)[C@@H](C)Oc2ccccc2F)cc1 ZINC000019079504 210222955 /nfs/dbraw/zinc/22/29/55/210222955.db2.gz GJOAUNXQWCUCMD-SZNDQCEHSA-N 0 0 395.434 3.499 40 0 GGABRN CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)CCc3ccccc3)ncc2C1 ZINC000019018197 210222640 /nfs/dbraw/zinc/22/26/40/210222640.db2.gz FXVZBEOURFHQRU-NRFANRHFSA-N 0 0 392.503 3.068 40 0 GGABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C(=O)[C@H]1CCCO1 ZINC000019017471 210222356 /nfs/dbraw/zinc/22/23/56/210222356.db2.gz FDNSTUWLMQSKTL-BQJUDKOJSA-N 0 0 388.483 3.090 40 0 GGABRN CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1cc(C2CC2)on1 ZINC000019017717 210222447 /nfs/dbraw/zinc/22/24/47/210222447.db2.gz YDQAYTOSZCBGNT-YFVAEKQCSA-N 0 0 397.450 3.310 40 0 GGABRN CC(=O)N1CCC(c2ncc3c(n2)CCN(Cc2ccccc2Cl)C3)CC1 ZINC000019016882 210222471 /nfs/dbraw/zinc/22/24/71/210222471.db2.gz BEKDVUAPDQYIMR-UHFFFAOYSA-N 0 0 384.911 3.414 40 0 GGABRN COc1cccc(CN2CCc3nc([C@H]4CCCCN4C(C)=O)ncc3C2)c1 ZINC000019017410 210221541 /nfs/dbraw/zinc/22/15/41/210221541.db2.gz HJQHJBQLWMTHGZ-OAQYLSRUSA-N 0 0 380.492 3.117 40 0 GGABRN CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(CCOc1ccc(F)cc1)C2 ZINC000019017397 210221611 /nfs/dbraw/zinc/22/16/11/210221611.db2.gz DFHAYFIFIUNROA-NRFANRHFSA-N 0 0 398.482 3.126 40 0 GGABRN COc1ccc(CN2CCc3nc([C@H]4CCCCN4C(C)=O)ncc3C2)cc1 ZINC000019017407 210221751 /nfs/dbraw/zinc/22/17/51/210221751.db2.gz HXMWOFQFNIFSJP-OAQYLSRUSA-N 0 0 380.492 3.117 40 0 GGABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)Cc1ccccn1 ZINC000019017501 210221221 /nfs/dbraw/zinc/22/12/21/210221221.db2.gz ZIIBSDZWDNPLNX-ZDXQCDESSA-N 0 0 391.515 3.410 40 0 GGABRN CC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)Cc1cccnc1 ZINC000019017900 210221400 /nfs/dbraw/zinc/22/14/00/210221400.db2.gz JNGPCENLVAJNKG-CQOQZXRMSA-N 0 0 391.515 3.410 40 0 GGABRN CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1ccccn1 ZINC000019017578 210221110 /nfs/dbraw/zinc/22/11/10/210221110.db2.gz YJZQTFZAVZAQGO-CEMLEFRQSA-N 0 0 377.488 3.481 40 0 GGABRN CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)CC3CCCCC3)ncc2C1 ZINC000019018188 210221016 /nfs/dbraw/zinc/22/10/16/210221016.db2.gz SEGVAXSHJQSZLU-HXUWFJFHSA-N 0 0 384.524 3.405 40 0 GGABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3C)CC2)cc1 ZINC000018831515 210219664 /nfs/dbraw/zinc/21/96/64/210219664.db2.gz DUAWPBSFKOUNPD-UHFFFAOYSA-N 0 0 386.517 3.021 40 0 GGABRN COC(=O)c1cc(NC(=O)c2ccc(OC)c(Cl)c2)cc(C(=O)OC)c1 ZINC000018051968 210213287 /nfs/dbraw/zinc/21/32/87/210213287.db2.gz IAWMCORUIUJZIZ-UHFFFAOYSA-N 0 0 377.780 3.174 40 0 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CC(=O)Nc1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)cc1 ZINC000015362095 210155755 /nfs/dbraw/zinc/15/57/55/210155755.db2.gz ILXVVKYVDSGRMD-UHFFFAOYSA-N 0 0 384.457 3.156 40 0 GGABRN CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)c2ccccc2)ccc1OC ZINC000015349036 210155791 /nfs/dbraw/zinc/15/57/91/210155791.db2.gz APUODFCMZYLEHF-UHFFFAOYSA-N 0 0 376.478 3.002 40 0 GGABRN CC(C)c1ccccc1OCC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000015198046 210154822 /nfs/dbraw/zinc/15/48/22/210154822.db2.gz RKVYVQMMPITWBE-OAHLLOKOSA-N 0 0 375.490 3.470 40 0 GGABRN Cc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000015197510 210154870 /nfs/dbraw/zinc/15/48/70/210154870.db2.gz FWCKKPLDDNMLIX-INIZCTEOSA-N 0 0 375.490 3.435 40 0 GGABRN CCCn1ncc2c1nc(C1CC1)cc2C(=O)Nc1c(C)nn(COC)c1C ZINC000036615812 210154625 /nfs/dbraw/zinc/15/46/25/210154625.db2.gz DSJGFVCDCYBTMX-UHFFFAOYSA-N 0 0 382.468 3.388 40 0 GGABRN CCn1nc(C)c(-c2cc(C(=O)Nc3cc(C)no3)c3cnn(C)c3n2)c1C ZINC000036613642 210154657 /nfs/dbraw/zinc/15/46/57/210154657.db2.gz 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Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000225438237 211897757 /nfs/dbraw/zinc/89/77/57/211897757.db2.gz LMZXNSDCSRHIHN-HZPDHXFCSA-N 0 0 390.505 3.036 40 0 GGABRN CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1 ZINC000225442125 211897204 /nfs/dbraw/zinc/89/72/04/211897204.db2.gz WGQKJYAVQASDOD-CQSZACIVSA-N 0 0 389.293 3.155 40 0 GGABRN COc1ccc(-c2noc(C(=O)N(C)CCc3ccccn3)c2[C@H](C)O)cc1 ZINC000225429145 211897235 /nfs/dbraw/zinc/89/72/35/211897235.db2.gz OKIQUGUBXWUWFS-AWEZNQCLSA-N 0 0 381.432 3.113 40 0 biogenic,in-vitro GGABRN CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccccc1 ZINC000225422961 211896862 /nfs/dbraw/zinc/89/68/62/211896862.db2.gz HDQKGTYGAUREOW-OAQYLSRUSA-N 0 0 382.504 3.442 40 0 GGABRN CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1cc(C)ccc1C ZINC000225402235 211895076 /nfs/dbraw/zinc/89/50/76/211895076.db2.gz TXKCIRGVWOSARX-MRXNPFEDSA-N 0 0 388.895 3.499 40 0 GGABRN COc1ccc2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2c1 ZINC000225365937 211893396 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CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1 ZINC000225006591 211878103 /nfs/dbraw/zinc/87/81/03/211878103.db2.gz HFPVVGAGJQOWTO-SFHVURJKSA-N 0 0 398.503 3.326 40 0 GGABRN CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(F)cc1 ZINC000225069805 211882177 /nfs/dbraw/zinc/88/21/77/211882177.db2.gz VDMIXYQXCXQAFH-KRWDZBQOSA-N 0 0 386.467 3.191 40 0 GGABRN O=C(Cn1nnc2ccccc21)Nc1ccc(Br)c2cccnc12 ZINC000028233239 211881256 /nfs/dbraw/zinc/88/12/56/211881256.db2.gz BVXGFNLVLPDILT-UHFFFAOYSA-N 0 0 382.221 3.381 40 0 GGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)cc1 ZINC000225033533 211881269 /nfs/dbraw/zinc/88/12/69/211881269.db2.gz AJZXSTWNKWSBEQ-KRWDZBQOSA-N 0 0 398.503 3.190 40 0 GGABRN CCN(Cc1nonc1C)C(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C ZINC000028233270 211881239 /nfs/dbraw/zinc/88/12/39/211881239.db2.gz ASDNVSZBOFDOHT-SECBINFHSA-N 0 0 379.770 3.165 40 0 GGABRN COc1ccc(-c2cnc(CCC(=O)Nc3ccc(C(N)=O)cc3)o2)c(OC)c1 ZINC000224869859 211874359 /nfs/dbraw/zinc/87/43/59/211874359.db2.gz 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211866892 /nfs/dbraw/zinc/86/68/92/211866892.db2.gz WXBCKVIJIXTCLW-NRFANRHFSA-N 0 0 398.503 3.060 40 0 GGABRN CCCCn1c(SCc2nc3sc4c(c3c(N)n2)CCCC4)n[nH]c1=O ZINC000028085037 211871512 /nfs/dbraw/zinc/87/15/12/211871512.db2.gz VSVYKGJKGUPGQF-UHFFFAOYSA-N 0 0 390.538 3.130 40 0 GGABRN O=C(NC1CCN(S(=O)(=O)c2ccccc2Cl)CC1)c1ccc(F)cc1 ZINC000028052614 211871287 /nfs/dbraw/zinc/87/12/87/211871287.db2.gz YUAWHTCMSHMUMJ-UHFFFAOYSA-N 0 0 396.871 3.062 40 0 GGABRN COC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000224733639 211871187 /nfs/dbraw/zinc/87/11/87/211871187.db2.gz NSPXQFTVWGHHDR-UHFFFAOYSA-N 0 0 398.278 3.369 40 0 GGABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1 ZINC000224552235 211865220 /nfs/dbraw/zinc/86/52/20/211865220.db2.gz KRVOGYMFGAUEMS-OAQYLSRUSA-N 0 0 398.503 3.326 40 0 GGABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1cccc(C)c1 ZINC000224554415 211864709 /nfs/dbraw/zinc/86/47/09/211864709.db2.gz SQZSMWIRDIQLIY-OAQYLSRUSA-N 0 0 382.504 3.490 40 0 GGABRN 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Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1 ZINC000224118564 211853421 /nfs/dbraw/zinc/85/34/21/211853421.db2.gz XPRPHXYUMPVEJI-UHFFFAOYSA-N 0 0 395.484 3.145 40 0 GGABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccccc1 ZINC000224035864 211852696 /nfs/dbraw/zinc/85/26/96/211852696.db2.gz VHPLUCOUJUAHMC-SFHVURJKSA-N 0 0 398.503 3.408 40 0 GGABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(C)c1C ZINC000224048033 211852579 /nfs/dbraw/zinc/85/25/79/211852579.db2.gz QLKAXOFKJJJMIW-SFHVURJKSA-N 0 0 398.503 3.244 40 0 GGABRN Cc1cccc2c(=O)n(CCC(=O)NCc3ccc(OC(F)F)cc3)cnc12 ZINC000027107332 211847902 /nfs/dbraw/zinc/84/79/02/211847902.db2.gz AJAIBWFKMHOENE-UHFFFAOYSA-N 0 0 387.386 3.013 40 0 GGABRN CCc1ccc(CC)c(CNS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000223839143 211847064 /nfs/dbraw/zinc/84/70/64/211847064.db2.gz ZMTHYIGJDOWLIU-UHFFFAOYSA-N 0 0 390.505 3.257 40 0 GGABRN Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)c1 ZINC000223873512 211846908 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CS(=O)(=O)N(CC(=O)NCC1CCCCC1)c1cccc(Cl)c1Cl ZINC000223713870 211841858 /nfs/dbraw/zinc/84/18/58/211841858.db2.gz IJOILNWHTBCGHE-UHFFFAOYSA-N 0 0 393.336 3.456 40 0 GGABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223649828 211840124 /nfs/dbraw/zinc/84/01/24/211840124.db2.gz MSVFULSAJCGKIU-MRXNPFEDSA-N 0 0 384.542 3.184 40 0 GGABRN Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000223649842 211840171 /nfs/dbraw/zinc/84/01/71/211840171.db2.gz KLSOQZZZGJXFTC-UHFFFAOYSA-N 0 0 386.395 3.315 40 0 GGABRN CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)OC)c1C ZINC000223685316 211840218 /nfs/dbraw/zinc/84/02/18/211840218.db2.gz HXLOOSXJSIRLOD-OALUTQOASA-N 0 0 386.521 3.055 40 0 GGABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 ZINC000223684525 211839912 /nfs/dbraw/zinc/83/99/12/211839912.db2.gz KZXRFUWFIWWMIN-QZTJIDSGSA-N 0 0 386.521 3.174 40 0 GGABRN CCOc1ccc(-c2noc(CNS(=O)(=O)Cc3ccc(C)cc3)n2)cc1 ZINC000223626651 211839216 /nfs/dbraw/zinc/83/92/16/211839216.db2.gz 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O=S(=O)(NCCCOc1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000048310845 211454766 /nfs/dbraw/zinc/45/47/66/211454766.db2.gz COGSKCZTVIVLBI-UHFFFAOYSA-N 0 0 375.368 3.333 40 0 GGABRN COc1ccc(C(C)=O)cc1CC(=O)Nc1nc(C)c(-c2nccn2C)s1 ZINC000048248155 211453132 /nfs/dbraw/zinc/45/31/32/211453132.db2.gz AVYGTKZIVYMHJQ-UHFFFAOYSA-N 0 0 384.461 3.244 40 0 GGABRN Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCOCC2)c(Cl)c1 ZINC000044782949 211452106 /nfs/dbraw/zinc/45/21/06/211452106.db2.gz JOQZLODACMHOAU-GOSISDBHSA-N 0 0 394.924 3.000 40 0 GGABRN O=C(/C=C/c1cccc(C(F)(F)F)c1)NC1CCN(c2ncccn2)CC1 ZINC000046610788 211450924 /nfs/dbraw/zinc/45/09/24/211450924.db2.gz XCHIUQDOJGZCRW-AATRIKPKSA-N 0 0 376.382 3.294 40 0 GGABRN COc1cc(Cl)c(C)cc1NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000102817632 211417496 /nfs/dbraw/zinc/41/74/96/211417496.db2.gz FLMFKFCZKGCYHU-BETUJISGSA-N 0 0 378.856 3.161 40 0 GGABRN CCOC(=O)c1csc(NC(=O)c2nn(-c3cccc(Cl)c3)nc2C)n1 ZINC000098071044 211377332 /nfs/dbraw/zinc/37/73/32/211377332.db2.gz 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ZINC000096586481 211345498 /nfs/dbraw/zinc/34/54/98/211345498.db2.gz GXDCKAIDYDWYOE-UHFFFAOYSA-N 0 0 391.471 3.381 40 0 GGABRN CCNC(=O)N1CCC(c2nc3ccc(-c4cccc(OC)c4)cn3n2)CC1 ZINC000096267273 211328870 /nfs/dbraw/zinc/32/88/70/211328870.db2.gz DEJYUWFJUNNCOA-UHFFFAOYSA-N 0 0 379.464 3.314 40 0 GGABRN Cn1cnc2c1cc(C1CCN(S(=O)(=O)C3CC3)CC1)nc2-c1ccccc1 ZINC000096267108 211328426 /nfs/dbraw/zinc/32/84/26/211328426.db2.gz BQCJOLHUKKMWRW-UHFFFAOYSA-N 0 0 396.516 3.307 40 0 GGABRN Cc1nc(-c2nc(C(=O)NCCc3cccnc3)c3ccccn32)cn1C(C)C ZINC000096266909 211328161 /nfs/dbraw/zinc/32/81/61/211328161.db2.gz RFCAKTDYTYJKLS-UHFFFAOYSA-N 0 0 388.475 3.455 40 0 GGABRN COCCn1cc(-c2nc(C(=O)N(C)c3ccccc3)c3ccccn32)nc1C ZINC000096266921 211328062 /nfs/dbraw/zinc/32/80/62/211328062.db2.gz FESOGFFWEXYJMY-UHFFFAOYSA-N 0 0 389.459 3.429 40 0 GGABRN Cc1ccccc1NC(=O)N1C[C@H]2[C@H](CC[C@@]23NC(c2ccccc2)=NC3=O)C1 ZINC000096261701 211327410 /nfs/dbraw/zinc/32/74/10/211327410.db2.gz MEAONQJLPHMTGJ-IEGUWTFLSA-N 0 0 388.471 3.184 40 0 GGABRN C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2)CC[C@@]12CC[C@H](C(=O)N(C)C)O2 ZINC000096260957 211326469 /nfs/dbraw/zinc/32/64/69/211326469.db2.gz HUTXOYPSSUKARL-NRXGSXMXSA-N 0 0 379.888 3.220 40 0 GGABRN COc1ccc(-c2ncnc3c2c(C(=O)N2CCOCC2)c2ccccn23)cc1 ZINC000096264363 211326408 /nfs/dbraw/zinc/32/64/08/211326408.db2.gz COCHNJJICVTEHJ-UHFFFAOYSA-N 0 0 388.427 3.031 40 0 GGABRN C[C@H]1CN(C(=O)Nc2ccc(F)cc2)CC[C@]12CC[C@@H](C(=O)N1CCCC1)O2 ZINC000096261038 211326205 /nfs/dbraw/zinc/32/62/05/211326205.db2.gz CDLWKRNRJJTXIH-UQASEVPWSA-N 0 0 389.471 3.240 40 0 GGABRN Cc1cc(CN2CC[C@@]3(C2)c2ccccc2S(=O)(=O)N3CCC(C)C)no1 ZINC000096262002 211325921 /nfs/dbraw/zinc/32/59/21/211325921.db2.gz SXBLZTPVMQXRCK-HXUWFJFHSA-N 0 0 389.521 3.135 40 0 GGABRN O=C(Nc1cccnc1)C1=NO[C@]2(C1)CCCN(C(=O)Nc1ccc(F)cc1)C2 ZINC000096224993 211319051 /nfs/dbraw/zinc/31/90/51/211319051.db2.gz HRXIBLRXFKTKRM-FQEVSTJZSA-N 0 0 397.410 3.002 40 0 GGABRN O=C(CCc1ccccc1)N1CCC[C@]12CCCN(C(=O)c1cscn1)C2 ZINC000096214579 211318916 /nfs/dbraw/zinc/31/89/16/211318916.db2.gz FOHXHWJTEHPYOW-NRFANRHFSA-N 0 0 383.517 3.373 40 0 GGABRN Fc1cc(F)c(I)c(F)c1I ZINC000096171619 211315257 /nfs/dbraw/zinc/31/52/57/211315257.db2.gz JANOLWZUHPTKNX-UHFFFAOYSA-N 0 0 383.876 3.313 40 0 GGABRN COCCNC(=O)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn32)n1 ZINC000096155419 211314143 /nfs/dbraw/zinc/31/41/43/211314143.db2.gz VOSKMGVUBWBZGK-UHFFFAOYSA-N 0 0 378.407 3.307 40 0 GGABRN CC[C@@H](CO)NC(=O)c1cnc(-c2noc3cc(N4CCCC4)ccc32)s1 ZINC000096154563 211312342 /nfs/dbraw/zinc/31/23/42/211312342.db2.gz MOOVEOIMIKBPQG-LBPRGKRZSA-N 0 0 386.477 3.052 40 0 GGABRN Cc1nc(Cn2cc(-c3nc(C(=O)N(C)C)c4ccccn43)nc2C)cs1 ZINC000096155118 211311971 /nfs/dbraw/zinc/31/19/71/211311971.db2.gz RGMFLKOHBZJRAR-UHFFFAOYSA-N 0 0 380.477 3.021 40 0 GGABRN CN1CCN(C(=O)c2cc(-c3ccn(C4CCCC4)n3)n3ccccc23)CC1 ZINC000096154737 211311983 /nfs/dbraw/zinc/31/19/83/211311983.db2.gz OYBJNZTXZSQSGL-UHFFFAOYSA-N 0 0 377.492 3.306 40 0 GGABRN COCCN(C)C(=O)c1cc2c(c3ccccc3n2C(C)C)n1C(=O)N(C)C ZINC000096146422 211310619 /nfs/dbraw/zinc/31/06/19/211310619.db2.gz ZTAHHLNRRPPTLM-UHFFFAOYSA-N 0 0 384.480 3.425 40 0 GGABRN O=C(NCc1ccncc1)c1cc2c(s1)CCN2C(=O)c1ccc(F)cc1 ZINC000096146803 211310357 /nfs/dbraw/zinc/31/03/57/211310357.db2.gz FGGLKJBWQKVHNV-UHFFFAOYSA-N 0 0 381.432 3.415 40 0 GGABRN O=C(NCCc1ccccn1)c1cc2c(s1)CCN2C(=O)c1ccccc1 ZINC000096146795 211310376 /nfs/dbraw/zinc/31/03/76/211310376.db2.gz SKAISJHZJHLXPY-UHFFFAOYSA-N 0 0 377.469 3.319 40 0 GGABRN CN(C)C(=O)n1c(C(=O)N(C)Cc2ccccn2)cc2c1c1ccccc1n2C ZINC000096146302 211310388 /nfs/dbraw/zinc/31/03/88/211310388.db2.gz APJSRSXSSQLHIC-UHFFFAOYSA-N 0 0 389.459 3.330 40 0 GGABRN O=C(Nc1cccnc1)c1nc2c(s1)CCN(C(=O)c1ccccc1)CC2 ZINC000096146917 211310415 /nfs/dbraw/zinc/31/04/15/211310415.db2.gz PJZCAVCPHSDEGS-UHFFFAOYSA-N 0 0 378.457 3.031 40 0 GGABRN Cn1cnc2c1[C@@H](C(=O)NCCc1cccc(F)c1)N(Cc1ccccc1)CC2 ZINC000096147171 211310097 /nfs/dbraw/zinc/31/00/97/211310097.db2.gz 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ZINC000096254324 211324153 /nfs/dbraw/zinc/32/41/53/211324153.db2.gz URUHJZCTUGGBNO-UHFFFAOYSA-N 0 0 381.411 3.290 40 0 GGABRN CNC(=O)C[C@H]1CC2(CCN(C(=O)NC3CCCC3)CC2)Oc2ccccc21 ZINC000096243044 211323991 /nfs/dbraw/zinc/32/39/91/211323991.db2.gz PQMRDNYSPYXOGI-INIZCTEOSA-N 0 0 385.508 3.176 40 0 GGABRN CCCCNC(=O)N1CCC2(CC1)C[C@@H](CC(=O)N(C)C)c1ccccc1O2 ZINC000096242952 211324051 /nfs/dbraw/zinc/32/40/51/211324051.db2.gz OSULPIWBTNOCBO-QGZVFWFLSA-N 0 0 387.524 3.375 40 0 GGABRN O=C(c1ccncc1)N1CCC2(CN(C[C@H]3CCCO3)c3ccccc32)CC1 ZINC000096241340 211323548 /nfs/dbraw/zinc/32/35/48/211323548.db2.gz MIDBLPTZSMFHTR-LJQANCHMSA-N 0 0 377.488 3.255 40 0 GGABRN COc1ccc(CC(=O)N2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)cc1 ZINC000096238674 211323760 /nfs/dbraw/zinc/32/37/60/211323760.db2.gz CYNPMBQVDBSNPM-JOCHJYFZSA-N 0 0 382.435 3.032 40 0 GGABRN Cc1cccc(NC(=O)N2C[C@H](C(=O)Nc3cccnc3)C3(C2)CCOCC3)c1 ZINC000096241009 211323373 /nfs/dbraw/zinc/32/33/73/211323373.db2.gz UOWIOCKEDXYCIE-LJQANCHMSA-N 0 0 394.475 3.289 40 0 GGABRN COc1ccc(N2C[C@@]3(CCN(C(=O)Cc4ccc(F)cc4)C3)CC2=O)cc1 ZINC000096238983 211323404 /nfs/dbraw/zinc/32/34/04/211323404.db2.gz SJTXSEYWOPDPOK-QFIPXVFZSA-N 0 0 382.435 3.032 40 0 GGABRN O=C(Cc1cccs1)N1C[C@H](C(=O)Nc2ccccc2)C2(C1)CCOCC2 ZINC000096241120 211323544 /nfs/dbraw/zinc/32/35/44/211323544.db2.gz SLJMNASDGRBNAV-GOSISDBHSA-N 0 0 384.501 3.185 40 0 GGABRN CCN(CC)C(=O)C[C@@H]1CC2(CCN(S(=O)(=O)CC)CC2)c2ccccc21 ZINC000096242359 211323190 /nfs/dbraw/zinc/32/31/90/211323190.db2.gz DHWRKVBBWJSVAN-QGZVFWFLSA-N 0 0 392.565 3.116 40 0 GGABRN Cc1ccc(S(=O)(=O)N2CC[C@@]3(CC(=O)N(c4ccccc4C)C3)C2)cc1 ZINC000096238624 211322821 /nfs/dbraw/zinc/32/28/21/211322821.db2.gz NHIGFGMTFPYLIK-OAQYLSRUSA-N 0 0 384.501 3.121 40 0 GGABRN O=C(Nc1cccnc1)[C@@H]1CN(C(=O)Nc2ccc(F)cc2)CC12CCOCC2 ZINC000096241013 211322850 /nfs/dbraw/zinc/32/28/50/211322850.db2.gz BMHLGKDKBYSAIK-SFHVURJKSA-N 0 0 398.438 3.120 40 0 GGABRN O=C(c1ccncc1)N1CCC2(CN(C[C@@H]3CCCO3)c3ccccc32)CC1 ZINC000096241339 211322878 /nfs/dbraw/zinc/32/28/78/211322878.db2.gz MIDBLPTZSMFHTR-IBGZPJMESA-N 0 0 377.488 3.255 40 0 GGABRN CCc1ccccc1NC(=O)N1C[C@H](C(=O)NCC2CC2)C2(C1)CCOCC2 ZINC000096240861 211322777 /nfs/dbraw/zinc/32/27/77/211322777.db2.gz QEUWHNPNVCUEAX-GOSISDBHSA-N 0 0 385.508 3.036 40 0 GGABRN Cc1cccc(NC(=O)N2CC[C@]3(CC(C(=O)Nc4cccnc4C)=NO3)C2)c1 ZINC000096226126 211322081 /nfs/dbraw/zinc/32/20/81/211322081.db2.gz UKGVWQSBWBGODV-NRFANRHFSA-N 0 0 393.447 3.090 40 0 GGABRN Cc1cccc(NC(=O)N2CC[C@@]3(C[C@@H]3C(=O)N(C)Cc3ccccn3)C2)c1 ZINC000096227351 211321794 /nfs/dbraw/zinc/32/17/94/211321794.db2.gz VWFLRDQTAPFLFI-DENIHFKCSA-N 0 0 378.476 3.293 40 0 GGABRN Cc1cccc(S(=O)(=O)N2CC[C@]3(C[C@@H]3C(=O)Nc3cccc(F)c3)C2)c1 ZINC000096227226 211321857 /nfs/dbraw/zinc/32/18/57/211321857.db2.gz FGXPQTSZNNBNMV-QUCCMNQESA-N 0 0 388.464 3.174 40 0 GGABRN Cc1ccc(NC(=O)N2CC[C@@]3(C[C@@H]3C(=O)N(C)Cc3ccccn3)C2)cc1 ZINC000096227425 211321421 /nfs/dbraw/zinc/32/14/21/211321421.db2.gz QHNPEFRMUBWJHM-DENIHFKCSA-N 0 0 378.476 3.293 40 0 GGABRN C[C@H](CNC(=O)C1=NO[C@@]2(CCN(C(=O)c3ccsc3)C2)C1)c1ccccc1 ZINC000096225741 211319856 /nfs/dbraw/zinc/31/98/56/211319856.db2.gz KEQJPTMUBOXPKX-VFNWGFHPSA-N 0 0 397.500 3.029 40 0 GGABRN O=C(c1ccc2c(c1)OCO2)N1CC[C@]2(C1)CCCN(Cc1nccs1)C2 ZINC000096215799 211319433 /nfs/dbraw/zinc/31/94/33/211319433.db2.gz HJOIVXALMFSUBL-HXUWFJFHSA-N 0 0 385.489 3.000 40 0 GGABRN O=C(c1ccc2c(c1)OCO2)N1CC[C@@]2(C1)CCCN(Cc1nccs1)C2 ZINC000096215796 211319531 /nfs/dbraw/zinc/31/95/31/211319531.db2.gz HJOIVXALMFSUBL-FQEVSTJZSA-N 0 0 385.489 3.000 40 0 GGABRN C[C@H](CNC(=O)C1=NO[C@@]2(CCN(Cc3ccsc3)C2)C1)c1ccccc1 ZINC000096225711 211319547 /nfs/dbraw/zinc/31/95/47/211319547.db2.gz MQJHYZSQUGVOFS-IERDGZPVSA-N 0 0 383.517 3.389 40 0 GGABRN CO[C@@H](CNS(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C)c1ccc(C)s1 ZINC000096104831 211301986 /nfs/dbraw/zinc/30/19/86/211301986.db2.gz YYPMMOOIJVTDCW-QWQRMKEZSA-N 0 0 385.551 3.059 40 0 GGABRN Cc1oncc1C(=O)N1CCC2(CN(c3ncccn3)c3ccccc32)CC1 ZINC000096078828 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396.434 3.210 40 0 GGABRN Cn1cnc2c1cc(C1CCN(C(=O)c3ccncc3)CC1)nc2-c1cccnc1 ZINC000096088283 211300091 /nfs/dbraw/zinc/30/00/91/211300091.db2.gz QZQUGWKMTSMFLX-UHFFFAOYSA-N 0 0 398.470 3.445 40 0 GGABRN Cc1nc(N2CCCC2)nc2c1CCN(C(=O)c1ccc3ccccc3n1)CC2 ZINC000096083859 211299790 /nfs/dbraw/zinc/29/97/90/211299790.db2.gz XWSRRLFBWMAYEP-UHFFFAOYSA-N 0 0 387.487 3.174 40 0 GGABRN CNC(=O)C[C@@H]1CC2(CCN(C(=O)c3cccc(C)n3)CC2)Oc2ccccc21 ZINC000096053284 211299208 /nfs/dbraw/zinc/29/92/08/211299208.db2.gz RSFRSYJBNPWYMG-QGZVFWFLSA-N 0 0 393.487 3.067 40 0 GGABRN Cc1ccsc1C(=O)N1CC[C@@]2(C[C@@H]2C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000096075127 211299070 /nfs/dbraw/zinc/29/90/70/211299070.db2.gz KXMDZCWTJLIBMX-JLTOFOAXSA-N 0 0 384.457 3.276 40 0 GGABRN O=C(C[C@@H]1CC2(CCN(C(=O)c3ccco3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053438 211298925 /nfs/dbraw/zinc/29/89/25/211298925.db2.gz MFJZYOCGIHJZDO-MRXNPFEDSA-N 0 0 394.471 3.489 40 0 GGABRN Cc1cc(C(=O)N2CCC[C@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)c(C)o1 ZINC000096074396 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Cc1ccc(CC(=O)N2CCC[C@@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)cc1 ZINC000096074391 211297856 /nfs/dbraw/zinc/29/78/56/211297856.db2.gz YNMIKVMDMXUKLY-HSZRJFAPSA-N 0 0 391.471 3.314 40 0 GGABRN O=C(Cc1c[nH]c2ccccc12)N1CCC2(C[C@H](Nc3nccs3)CO2)CC1 ZINC000096074232 211297770 /nfs/dbraw/zinc/29/77/70/211297770.db2.gz WQHLSOSAIVXEBU-INIZCTEOSA-N 0 0 396.516 3.429 40 0 GGABRN O=C(c1cccs1)N1CCC2(CC1)CCN(C(=O)C1CCOCC1)CC2 ZINC000096047310 211296951 /nfs/dbraw/zinc/29/69/51/211296951.db2.gz PSIHWJUAKOLPHN-UHFFFAOYSA-N 0 0 376.522 3.020 40 0 GGABRN O=C(c1cccs1)N1CCC2(CC[C@H]2NS(=O)(=O)c2ccccc2)CC1 ZINC000096051666 211297058 /nfs/dbraw/zinc/29/70/58/211297058.db2.gz LHKIKDCAYNFRLW-QGZVFWFLSA-N 0 0 390.530 3.111 40 0 GGABRN CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21 ZINC000096052642 211296697 /nfs/dbraw/zinc/29/66/97/211296697.db2.gz ZSAYAONSWGMGJI-KRWDZBQOSA-N 0 0 392.503 3.053 40 0 GGABRN O=C(c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12)N1CCCCO1 ZINC000096037951 211296715 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CCCN(CCOC)C(=O)[C@H]1C[C@@]2(CO1)CN(CCC(C)C)c1ccccc12 ZINC000096143982 211308354 /nfs/dbraw/zinc/30/83/54/211308354.db2.gz AZLUQGPKPWJKIB-GGAORHGYSA-N 0 0 388.552 3.464 40 0 GGABRN CC(C)CC(=O)N1CCC2(CC1)c1ncc(-c3cccc(F)c3)n1CCN2C ZINC000096144947 211307907 /nfs/dbraw/zinc/30/79/07/211307907.db2.gz PMFDFZSREKONSD-UHFFFAOYSA-N 0 0 384.499 3.498 40 0 GGABRN COc1ccc(CN2C[C@]3(CO[C@H](C(=O)NC(C)C)C3)c3ccccc32)cc1 ZINC000096144509 211307726 /nfs/dbraw/zinc/30/77/26/211307726.db2.gz HAXKBWGCQNQKMQ-JTHBVZDNSA-N 0 0 380.488 3.267 40 0 GGABRN COc1ccc(CN2C[C@@]3(CO[C@@H](C(=O)N4CCCC4)C3)c3ccccc32)cc1 ZINC000096144530 211307721 /nfs/dbraw/zinc/30/77/21/211307721.db2.gz UAEHMOLPQSTPQB-VWNXMTODSA-N 0 0 392.499 3.365 40 0 GGABRN O=C(Oc1c2[nH]ccnc-2c(=O)n1-c1ccc(Cl)cn1)Oc1ccccc1 ZINC000095871146 211282252 /nfs/dbraw/zinc/28/22/52/211282252.db2.gz NCGZEYCAQLHEII-QGZVFWFLSA-N 0 0 382.763 3.400 40 0 GGABRN Cc1cccc([C@H]2CCCCCN2C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000095398278 211239747 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COc1ncccc1N(C)C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000132733978 211216836 /nfs/dbraw/zinc/21/68/36/211216836.db2.gz ZKVWRURSZSPQJV-UHFFFAOYSA-N 0 0 387.237 3.315 40 0 GGABRN Cc1nc(C(=O)Nc2cnc(Br)cn2)nn1-c1ccccc1Cl ZINC000133350095 211215990 /nfs/dbraw/zinc/21/59/90/211215990.db2.gz SCACOQQGISKLDL-UHFFFAOYSA-N 0 0 393.632 3.034 40 0 GGABRN CN(C(=O)c1cccc(-n2cc(Br)cn2)c1)c1ncccc1F ZINC000131660517 211180429 /nfs/dbraw/zinc/18/04/29/211180429.db2.gz ZVLAADGMYPTPRK-UHFFFAOYSA-N 0 0 375.201 3.446 40 0 GGABRN CCOC(=O)c1sc2ncn(Cc3ncc(C)c(OC)c3C)c(=O)c2c1C ZINC000079306560 211156215 /nfs/dbraw/zinc/15/62/15/211156215.db2.gz CJUXZTUHRRGWMS-UHFFFAOYSA-N 0 0 387.461 3.012 40 0 GGABRN O=C(NCCN1C(=O)CNC1=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000079095439 211154607 /nfs/dbraw/zinc/15/46/07/211154607.db2.gz KIQDKWXQLKMNTL-UHFFFAOYSA-N 0 0 398.271 3.004 40 0 GGABRN Cc1cccc2nc(CNS(=O)(=O)c3cc4c(c(Cl)c3)O[C@@H](C)C4)cn21 ZINC000084234381 211167454 /nfs/dbraw/zinc/16/74/54/211167454.db2.gz DFFYVSQPGKSTGF-LBPRGKRZSA-N 0 0 391.880 3.098 40 0 GGABRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCOc3ccccc32)c1 ZINC000084210764 211167036 /nfs/dbraw/zinc/16/70/36/211167036.db2.gz FGIWZNYIHHZLJN-QZTJIDSGSA-N 0 0 382.485 3.401 40 0 GGABRN CS(=O)(=O)N1CCc2cc(C(=O)Nc3cc(-c4ccccc4)ns3)ccc21 ZINC000083987438 211166065 /nfs/dbraw/zinc/16/60/65/211166065.db2.gz GQMCNGMHBXNUSX-UHFFFAOYSA-N 0 0 399.497 3.385 40 0 GGABRN Cc1noc2ncc(S(=O)(=O)N(Cc3ccc(F)cc3)CC3CC3)cc12 ZINC000084067945 211166079 /nfs/dbraw/zinc/16/60/79/211166079.db2.gz LDTNJMRVPXMLNZ-UHFFFAOYSA-N 0 0 375.425 3.271 40 0 GGABRN CC(=O)Nc1cc(NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)c(F)cc1F ZINC000078990717 211150850 /nfs/dbraw/zinc/15/08/50/211150850.db2.gz CMQSKUNREOPXPP-KRWDZBQOSA-N 0 0 395.312 3.333 40 0 GGABRN Cn1c(CCNC(=O)CCOc2ccc(Cl)cc2)nc2ccc(F)cc21 ZINC000078779105 211149149 /nfs/dbraw/zinc/14/91/49/211149149.db2.gz RODJWFQQKSADKC-UHFFFAOYSA-N 0 0 375.831 3.494 40 0 GGABRN Nc1nnc(-c2cccc(-c3nc(-c4ccc5c(c4)NC(=O)CO5)cs3)c2)o1 ZINC000078612603 211148380 /nfs/dbraw/zinc/14/83/80/211148380.db2.gz AANDZTRZTQJIGZ-UHFFFAOYSA-N 0 0 391.412 3.440 40 0 GGABRN COc1ccc(OCCc2cc([C@H]3CCN(c4nc(C)cc(C)n4)C3)n[nH]2)cc1 ZINC000072371395 211103647 /nfs/dbraw/zinc/10/36/47/211103647.db2.gz XHMGJHCUPVXQKV-KRWDZBQOSA-N 0 0 393.491 3.441 40 0 GGABRN Cn1cc(C(=O)N2CC[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cn1 ZINC000072371633 211103675 /nfs/dbraw/zinc/10/36/75/211103675.db2.gz CRLBFVYRSHWLNU-AWEZNQCLSA-N 0 0 399.882 3.048 40 0 GGABRN CC(=O)Nc1ccc(Oc2nccnc2[C@@H]2CCCN(Cc3ncc[nH]3)C2)cc1 ZINC000072362994 211103488 /nfs/dbraw/zinc/10/34/88/211103488.db2.gz MSYKQUIBMAANTB-MRXNPFEDSA-N 0 0 392.463 3.330 40 0 GGABRN Cc1nc(C)c(C(=O)N2CC[C@@H](c3cc(CCOc4cccc(F)c4)n[nH]3)C2)o1 ZINC000072371536 211102709 /nfs/dbraw/zinc/10/27/09/211102709.db2.gz JLKSEHLQAVNKPG-OAHLLOKOSA-N 0 0 398.438 3.405 40 0 GGABRN COc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)c3nccn3C)C2)n1 ZINC000072363126 211102722 /nfs/dbraw/zinc/10/27/22/211102722.db2.gz QBUGGOZETKCUKX-OAHLLOKOSA-N 0 0 393.447 3.031 40 0 GGABRN COCCC(=O)N1CC[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371351 211102748 /nfs/dbraw/zinc/10/27/48/211102748.db2.gz LNAXCARSVJGNJV-AWEZNQCLSA-N 0 0 377.872 3.037 40 0 GGABRN CN(C)c1ccc2cc(C(=O)N3CCC(n4cnc5cccnc54)CC3)[nH]c2c1 ZINC000072366010 211102797 /nfs/dbraw/zinc/10/27/97/211102797.db2.gz LPPBHHVZLDNUJO-UHFFFAOYSA-N 0 0 388.475 3.456 40 0 GGABRN CNc1nc([C@H]2CCCN(C(=O)CC3CCCCC3)C2)nc2c1CN(C)CC2 ZINC000072372179 211102494 /nfs/dbraw/zinc/10/24/94/211102494.db2.gz HNFXQBDGMUDHMG-KRWDZBQOSA-N 0 0 385.556 3.183 40 0 GGABRN CCC(=O)N1CCCC[C@H]1c1nc2c(c(C)n1)CC(=O)N2Cc1ccc(F)cc1 ZINC000072371843 211102505 /nfs/dbraw/zinc/10/25/05/211102505.db2.gz SYYWBJATJRVEPV-SFHVURJKSA-N 0 0 396.466 3.477 40 0 GGABRN COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1Cc1ncc[nH]1 ZINC000072370277 211102133 /nfs/dbraw/zinc/10/21/33/211102133.db2.gz XQFRMTHUORVGOA-HNNXBMFYSA-N 0 0 398.532 3.208 40 0 GGABRN Nc1ncccc1C(=O)N1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 ZINC000072363029 211102140 /nfs/dbraw/zinc/10/21/40/211102140.db2.gz UJBBJGNKPJBJPA-AWEZNQCLSA-N 0 0 393.422 3.405 40 0 GGABRN COc1ccc2[nH]c(C(=O)N3CC[C@@H](n4c(C)nc5cccnc54)C3)cc2c1 ZINC000072366030 211102161 /nfs/dbraw/zinc/10/21/61/211102161.db2.gz QWMRTNOIGVVBIR-OAHLLOKOSA-N 0 0 375.432 3.317 40 0 GGABRN COc1cccc(Oc2nccnc2[C@@H]2CCCN(Cc3cncn3C)C2)c1 ZINC000072363149 211101970 /nfs/dbraw/zinc/10/19/70/211101970.db2.gz XXAWANLKYFJTPQ-MRXNPFEDSA-N 0 0 379.464 3.391 40 0 GGABRN O=C(N[C@H](N1C(=O)c2ccccc2C1=O)C(Cl)(Cl)Cl)c1ccccc1 ZINC000072414141 211113942 /nfs/dbraw/zinc/11/39/42/211113942.db2.gz LITVJSXWGCLVSR-MRXNPFEDSA-N 0 0 397.645 3.409 40 0 GGABRN O=C(Cc1ccc2c(c1)CCCO2)Nc1ccccc1OCCn1ccnc1 ZINC000072392114 211110635 /nfs/dbraw/zinc/11/06/35/211110635.db2.gz APECEJSXRULYIK-UHFFFAOYSA-N 0 0 377.444 3.468 40 0 GGABRN Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3[nH]nc4nccnc43)CC2)cc1C ZINC000072393801 211110128 /nfs/dbraw/zinc/11/01/28/211110128.db2.gz AHTKULKYSVYDRI-HNNXBMFYSA-N 0 0 379.464 3.143 40 0 GGABRN CC[C@H](Oc1ccccc1F)C(=O)N1CCC(c2[nH]nc3nccnc32)CC1 ZINC000072393782 211109668 /nfs/dbraw/zinc/10/96/68/211109668.db2.gz SDBSIIFXTPRQGW-HNNXBMFYSA-N 0 0 383.427 3.056 40 0 GGABRN COc1c(C)cccc1CN1CCc2nc([C@@H]3CCCN(C(C)=O)C3)ncc2C1 ZINC000072390918 211109804 /nfs/dbraw/zinc/10/98/04/211109804.db2.gz SVIPVTGKMDUKLQ-LJQANCHMSA-N 0 0 394.519 3.078 40 0 GGABRN Cc1cc(C(F)(F)F)nn1CCc1cc(=O)[nH]c(NCc2ccc(F)cc2)n1 ZINC000072391461 211109834 /nfs/dbraw/zinc/10/98/34/211109834.db2.gz KWTVGLCMDGQZKU-UHFFFAOYSA-N 0 0 395.360 3.288 40 0 GGABRN COc1cc(C)ccc1CN1CCc2nc([C@@H]3CCCN(C(C)=O)C3)ncc2C1 ZINC000072390916 211109229 /nfs/dbraw/zinc/10/92/29/211109229.db2.gz SSCIFIFVHVNGJY-LJQANCHMSA-N 0 0 394.519 3.078 40 0 GGABRN C[C@]12CN(Cc3ccccc3OC(F)F)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000072395033 211109245 /nfs/dbraw/zinc/10/92/45/211109245.db2.gz QGWYGYNGDQMEER-UTKZUKDTSA-N 0 0 386.398 3.105 40 0 GGABRN CCc1[nH]nc(C(=O)NCC2CCC([C@@H](NC(C)=O)c3ccccn3)CC2)c1C ZINC000072391149 211109061 /nfs/dbraw/zinc/10/90/61/211109061.db2.gz HTRAEIHPYCZOIN-MYKUNDNFSA-N 0 0 397.523 3.089 40 0 GGABRN Cc1oc2c(c1C(=O)Nc1cccc(OCCN3CCOCC3)c1)CCCC2 ZINC000072392183 211109089 /nfs/dbraw/zinc/10/90/89/211109089.db2.gz ZCPVNKVZEXRZSM-UHFFFAOYSA-N 0 0 384.476 3.430 40 0 GGABRN Cc1cc(Oc2ccccc2C)nc([C@@H]2CCN(C(=O)c3cnccn3)C2)n1 ZINC000072383785 211108589 /nfs/dbraw/zinc/10/85/89/211108589.db2.gz PGPPFRXEJODFAU-MRXNPFEDSA-N 0 0 375.432 3.305 40 0 GGABRN Cc1cnc(Nc2nc(C)nc3c2CN(C(=O)Cc2ccccc2)CC3)s1 ZINC000072380763 211108603 /nfs/dbraw/zinc/10/86/03/211108603.db2.gz GGYCKOJFIHYANJ-UHFFFAOYSA-N 0 0 379.489 3.421 40 0 GGABRN CNC(=O)[C@@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)C(C)C)CCO1 ZINC000072389299 211108724 /nfs/dbraw/zinc/10/87/24/211108724.db2.gz LFWLMFXDZMXAOD-HSZRJFAPSA-N 0 0 398.478 3.035 40 0 GGABRN Cc1cc(Oc2ccccc2C)nc([C@@H]2CCN(C(=O)c3ccn(C)n3)C2)n1 ZINC000072384165 211108480 /nfs/dbraw/zinc/10/84/80/211108480.db2.gz BEQMOGZECILFEF-MRXNPFEDSA-N 0 0 377.448 3.249 40 0 GGABRN COc1ccc(Oc2cc(C)nc([C@@H]3CCN(Cc4cncn4C)C3)n2)cc1 ZINC000072384433 211108482 /nfs/dbraw/zinc/10/84/82/211108482.db2.gz OYMFGGDJGJVPNZ-MRXNPFEDSA-N 0 0 379.464 3.309 40 0 GGABRN O=C(COc1ccccc1)N1CCCC[C@@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 ZINC000072380654 211108237 /nfs/dbraw/zinc/10/82/37/211108237.db2.gz DACQHKQZLRCIKW-HXUWFJFHSA-N 0 0 396.491 3.215 40 0 GGABRN CCCC(=O)N1CCO[C@@](Cc2cccc(-c3ccccc3)c2)(C(=O)NC)C1 ZINC000072389090 211108291 /nfs/dbraw/zinc/10/82/91/211108291.db2.gz ONDKXCZOELQGKC-HSZRJFAPSA-N 0 0 380.488 3.040 40 0 GGABRN COc1ccc(Oc2cc(C)nc([C@H]3CCCN3C(=O)c3cnn(C)c3)n2)cc1 ZINC000072384303 211108311 /nfs/dbraw/zinc/10/83/11/211108311.db2.gz OGYAXZKDHXEFMB-GOSISDBHSA-N 0 0 393.447 3.297 40 0 GGABRN Cc1cccc(-c2ccc(C[C@@]3(C(N)=O)CN(C(=O)C(C)(C)C)CCO3)cc2)c1 ZINC000072389330 211108314 /nfs/dbraw/zinc/10/83/14/211108314.db2.gz OYSCUQZVWLAFQI-DEOSSOPVSA-N 0 0 394.515 3.334 40 0 GGABRN COc1cccc(Oc2cc(C)nc([C@H]3CCN(Cc4cncn4C)C3)n2)c1 ZINC000072384432 211108344 /nfs/dbraw/zinc/10/83/44/211108344.db2.gz MBBRGIAMQNTLAH-INIZCTEOSA-N 0 0 379.464 3.309 40 0 GGABRN O=C(COc1ccccc1)N1CCCC[C@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 ZINC000072380655 211108044 /nfs/dbraw/zinc/10/80/44/211108044.db2.gz DACQHKQZLRCIKW-FQEVSTJZSA-N 0 0 396.491 3.215 40 0 GGABRN Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCN(C(=O)C4CCCC4)C3)n2)n1 ZINC000072382546 211108072 /nfs/dbraw/zinc/10/80/72/211108072.db2.gz NRAOVAHCRSQEFB-QGZVFWFLSA-N 0 0 380.496 3.442 40 0 GGABRN CC(=O)NCC(=O)N1CCCC[C@H]1c1nc(C)cc(Oc2ccc(C)cc2)n1 ZINC000072384146 211108171 /nfs/dbraw/zinc/10/81/71/211108171.db2.gz YAWWTMBITNBYGO-SFHVURJKSA-N 0 0 382.464 3.075 40 0 GGABRN Cc1nccn1-c1cccc([C@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)n1 ZINC000072379032 211107910 /nfs/dbraw/zinc/10/79/10/211107910.db2.gz SYMBOMWNQKEONG-KRWDZBQOSA-N 0 0 394.450 3.500 40 0 GGABRN Cc1nn(C)cc1C(=O)N1CC[C@@H](c2nc(C)cc(Oc3ccc(F)cc3)n2)C1 ZINC000072384044 211107996 /nfs/dbraw/zinc/10/79/96/211107996.db2.gz QQPBTXKGTHGGBW-OAHLLOKOSA-N 0 0 395.438 3.388 40 0 GGABRN Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nccnc3Oc3cccnc3)C2)o1 ZINC000072384117 211108000 /nfs/dbraw/zinc/10/80/00/211108000.db2.gz XNRMAGDXGAONNA-OAHLLOKOSA-N 0 0 379.420 3.289 40 0 GGABRN CNC(=O)[C@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)C(C)C)CCO1 ZINC000072389300 211108003 /nfs/dbraw/zinc/10/80/03/211108003.db2.gz LFWLMFXDZMXAOD-QHCPKHFHSA-N 0 0 398.478 3.035 40 0 GGABRN Cc1cc(Oc2ccccc2F)nc([C@@H]2CCN(C(=O)C3CCOCC3)C2)n1 ZINC000072384287 211107651 /nfs/dbraw/zinc/10/76/51/211107651.db2.gz PVJCSTZVNRBXKO-MRXNPFEDSA-N 0 0 385.439 3.459 40 0 GGABRN Cc1cc(Oc2ccccc2C)nc([C@H]2CCCN2C(=O)CN2CCCC2=O)n1 ZINC000072384094 211107687 /nfs/dbraw/zinc/10/76/87/211107687.db2.gz KJRKQXSMPJIPSY-QGZVFWFLSA-N 0 0 394.475 3.172 40 0 GGABRN O=C(Cc1ccccc1)N1CCCC[C@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 ZINC000072380613 211107747 /nfs/dbraw/zinc/10/77/47/211107747.db2.gz ZXEQWPGQCOYRMT-FQEVSTJZSA-N 0 0 380.492 3.378 40 0 GGABRN CC(C)c1nccn1-c1cccc([C@@H]2CCCN(C(=O)c3cnccn3)C2)n1 ZINC000072379183 211107272 /nfs/dbraw/zinc/10/72/72/211107272.db2.gz MHQYSWVEYXWKQB-MRXNPFEDSA-N 0 0 376.464 3.201 40 0 GGABRN COc1ccccc1CC(=O)N1CCC[C@H](c2nnc(-c3ccccn3)o2)C1 ZINC000072390009 211107299 /nfs/dbraw/zinc/10/72/99/211107299.db2.gz ITPFDHWDFVRZAD-INIZCTEOSA-N 0 0 378.432 3.089 40 0 GGABRN CCC(=O)N1CCO[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 ZINC000072389240 211107405 /nfs/dbraw/zinc/10/74/05/211107405.db2.gz FVRWAEGXVBHLKZ-NRFANRHFSA-N 0 0 386.517 3.053 40 0 GGABRN CCc1nnc([N-]c2cc(C)nc([C@H]3CC[N@H+](Cc4cccnc4)C3)n2)s1 ZINC000072382460 211107436 /nfs/dbraw/zinc/10/74/36/211107436.db2.gz HRMOQAXHRJZQHD-HNNXBMFYSA-N 0 0 381.509 3.327 40 0 GGABRN COc1ccccc1CC(=O)N1CCC[C@H](c2nc(-c3cccnc3)no2)C1 ZINC000072389656 211107218 /nfs/dbraw/zinc/10/72/18/211107218.db2.gz OGARPYCLJBIDDO-KRWDZBQOSA-N 0 0 378.432 3.089 40 0 GGABRN CCCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CN(C(C)=O)CCO1 ZINC000072389056 211106966 /nfs/dbraw/zinc/10/69/66/211106966.db2.gz UUPDVEDBSIFBSU-QHCPKHFHSA-N 0 0 380.488 3.040 40 0 GGABRN Cc1ncccc1Oc1nccnc1[C@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000072383764 211106988 /nfs/dbraw/zinc/10/69/88/211106988.db2.gz CLIUJQMMBCYARM-KRWDZBQOSA-N 0 0 375.432 3.387 40 0 GGABRN O=C(c1cc([C@H]2CCCCN2Cc2ccc3[nH]ccc3c2)[nH]n1)N1CCOCC1 ZINC000072380682 211106889 /nfs/dbraw/zinc/10/68/89/211106889.db2.gz RBEIKZBUXVCIMK-OAQYLSRUSA-N 0 0 393.491 3.091 40 0 GGABRN Cn1cc(C(=O)N2CCCC[C@H]2c2nc(N)ncc2-c2cccc(Cl)c2)cn1 ZINC000072377196 211106332 /nfs/dbraw/zinc/10/63/32/211106332.db2.gz KJLNIQVOOZRQTO-KRWDZBQOSA-N 0 0 396.882 3.480 40 0 GGABRN COc1ccc(OCCc2cc([C@H]3CCN(C(=O)c4ccncc4)C3)[nH]n2)cc1 ZINC000072378162 211106257 /nfs/dbraw/zinc/10/62/57/211106257.db2.gz POXAEPKZUPZMPG-KRWDZBQOSA-N 0 0 392.459 3.065 40 0 GGABRN O=C(c1cccnc1)N1CC[C@@H](c2cc(CCOc3cccc(F)c3)n[nH]2)C1 ZINC000072378139 211106217 /nfs/dbraw/zinc/10/62/17/211106217.db2.gz ISHWAFUBGTUCBO-MRXNPFEDSA-N 0 0 380.423 3.195 40 0 GGABRN Cc1cc(-c2cncnc2)cc([C@H]2CCN(C(=O)COc3ccc(F)cc3)C2)n1 ZINC000072374704 211106291 /nfs/dbraw/zinc/10/62/91/211106291.db2.gz XEUOIFBPFAWQDZ-INIZCTEOSA-N 0 0 392.434 3.381 40 0 GGABRN CC(C)c1nccn1-c1cncc([C@H]2CCCN2C(=O)Cc2ccncc2)n1 ZINC000072378550 211106109 /nfs/dbraw/zinc/10/61/09/211106109.db2.gz JGSZJGDBUSTCBJ-GOSISDBHSA-N 0 0 376.464 3.087 40 0 GGABRN Cc1nc(CC(=O)N2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)cs1 ZINC000072375425 211105848 /nfs/dbraw/zinc/10/58/48/211105848.db2.gz VGMIICAMBBZXJH-MRXNPFEDSA-N 0 0 380.477 3.286 40 0 GGABRN Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2CC(=O)N2CCCC2)n1 ZINC000072376831 211105697 /nfs/dbraw/zinc/10/56/97/211105697.db2.gz HVILSLLDBHKHGY-SFHVURJKSA-N 0 0 383.471 3.014 40 0 GGABRN Cn1cc(C(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2cccc(Cl)c2)cn1 ZINC000072377195 211105717 /nfs/dbraw/zinc/10/57/17/211105717.db2.gz KJLNIQVOOZRQTO-QGZVFWFLSA-N 0 0 396.882 3.480 40 0 GGABRN Nc1ncc(-c2ccccc2)c([C@H]2CCCCN2CC(=O)Nc2nccs2)n1 ZINC000072376866 211105276 /nfs/dbraw/zinc/10/52/76/211105276.db2.gz RJFMQLYWOLIPIT-MRXNPFEDSA-N 0 0 394.504 3.348 40 0 GGABRN O=C(COc1ccccc1)N1CCC[C@@H]1c1cccc(Nc2cnccn2)n1 ZINC000072375189 211105341 /nfs/dbraw/zinc/10/53/41/211105341.db2.gz XYAIKENPFDGBBL-GOSISDBHSA-N 0 0 375.432 3.358 40 0 GGABRN O=C(Cc1ccccn1)N1CCC[C@H]1c1cc(CCOc2cccc(F)c2)n[nH]1 ZINC000072378330 211105192 /nfs/dbraw/zinc/10/51/92/211105192.db2.gz AEYKMHDQUMADCA-NRFANRHFSA-N 0 0 394.450 3.472 40 0 GGABRN Cc1cc(-c2cnn(C)c2)cc([C@H]2CCN(CC(=O)Nc3ccc(F)cc3)C2)n1 ZINC000072374644 211104383 /nfs/dbraw/zinc/10/43/83/211104383.db2.gz VCMLSFHBSHWCNS-INIZCTEOSA-N 0 0 393.466 3.358 40 0 GGABRN O=C(Cn1cccn1)N1CCC[C@@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000072363091 211103879 /nfs/dbraw/zinc/10/38/79/211103879.db2.gz ZGWOMPJSBGSDMK-OAHLLOKOSA-N 0 0 381.411 3.011 40 0 GGABRN NC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)C2CCC2)CC1 ZINC000072345038 211095518 /nfs/dbraw/zinc/09/55/18/211095518.db2.gz QREHGPUHWMKXNG-UHFFFAOYSA-N 0 0 377.488 3.185 40 0 GGABRN CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)c2ccncc2)nc1C ZINC000072346314 211095568 /nfs/dbraw/zinc/09/55/68/211095568.db2.gz UMIHVNPTJXWCEQ-GOSISDBHSA-N 0 0 381.480 3.029 40 0 GGABRN Cn1ccnc1C(=O)N1CCC[C@H](c2nc(N)ncc2-c2ccc(Cl)cc2)C1 ZINC000072346218 211095572 /nfs/dbraw/zinc/09/55/72/211095572.db2.gz AQHKVYRNKZLQSM-AWEZNQCLSA-N 0 0 396.882 3.133 40 0 GGABRN NC(=O)c1cccc(-c2cccc([C@H]3CCCN(C(=O)c4cccnc4)C3)n2)c1 ZINC000072349096 211094930 /nfs/dbraw/zinc/09/49/30/211094930.db2.gz LGVRBHVBOWKIRS-IBGZPJMESA-N 0 0 386.455 3.262 40 0 GGABRN COCCN1CCCC[C@@H]1c1ncc(C(=O)Nc2ccccc2OC)c(C)n1 ZINC000072346292 211094676 /nfs/dbraw/zinc/09/46/76/211094676.db2.gz MNIVMIRNACDWAD-GOSISDBHSA-N 0 0 384.480 3.219 40 0 GGABRN O=S(=O)(c1cccc(F)c1)N1CCCC[C@H]1c1nnc(-c2ccccn2)o1 ZINC000072344722 211094887 /nfs/dbraw/zinc/09/48/87/211094887.db2.gz DSEMWNMQYJXQLI-INIZCTEOSA-N 0 0 388.424 3.187 40 0 GGABRN COCC(=O)N1CCC[C@@H](c2nc(N)ncc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000072346041 211094511 /nfs/dbraw/zinc/09/45/11/211094511.db2.gz OOUVCTAVZUVTJL-CYBMUJFWSA-N 0 0 394.397 3.097 40 0 GGABRN Cc1nc([C@H]2CCCCN2CCOc2ccc(F)cc2)ncc1C(=O)N(C)C ZINC000072345476 211094552 /nfs/dbraw/zinc/09/45/52/211094552.db2.gz VNUPGKNECYLRTC-LJQANCHMSA-N 0 0 386.471 3.232 40 0 GGABRN COc1ccc2c(c1)NC1(CCN(C(=O)c3cnn(C)c3C)CC1)c1cccn1-2 ZINC000072346495 211094631 /nfs/dbraw/zinc/09/46/31/211094631.db2.gz WPNZGOGFOVKCFK-UHFFFAOYSA-N 0 0 391.475 3.085 40 0 GGABRN CC(C)n1c2ncccc2n(CC(=O)N2CCC[C@H](c3ccccc3)C2)c1=O ZINC000072346846 211094636 /nfs/dbraw/zinc/09/46/36/211094636.db2.gz DNYZXBQJBRLUGU-SFHVURJKSA-N 0 0 378.476 3.185 40 0 GGABRN O=S(=O)(c1ccc(Cl)s1)N1C[C@@H]2CCC[C@@](O)(c3cccnc3)[C@H]2C1 ZINC000072342986 211094214 /nfs/dbraw/zinc/09/42/14/211094214.db2.gz NZODCKVGDMWZBI-RVSPLBMKSA-N 0 0 398.937 3.105 40 0 GGABRN Cc1ccc(-c2nc(N(C)CCc3cn[nH]c3)ncc2-c2cnccn2)s1 ZINC000072340305 211094126 /nfs/dbraw/zinc/09/41/26/211094126.db2.gz MTINGNPRVQSSQA-UHFFFAOYSA-N 0 0 377.477 3.373 40 0 GGABRN COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)N1CCC(C)CC1)NC2=O ZINC000072339146 211093637 /nfs/dbraw/zinc/09/36/37/211093637.db2.gz FFTNSRBGESMJSU-GZYYTPEQSA-N 0 0 398.503 3.208 40 0 GGABRN COc1ccc(OC)c(CC(=O)N2CCC[C@@H](c3ccnc4cc(C)nn43)C2)c1 ZINC000072335219 211093515 /nfs/dbraw/zinc/09/35/15/211093515.db2.gz IDLCTSXSWZMPHE-MRXNPFEDSA-N 0 0 394.475 3.004 40 0 GGABRN Cc1noc(C)c1-c1nc(N(C)CCc2cn[nH]c2)ncc1-c1ccncc1 ZINC000072342875 211093350 /nfs/dbraw/zinc/09/33/50/211093350.db2.gz BTGMXFUMKKGAIK-UHFFFAOYSA-N 0 0 375.436 3.212 40 0 GGABRN O=S(=O)(c1ccc(Cl)s1)N1C[C@H]2[C@@H](C1)CCC[C@@]2(O)c1cccnc1 ZINC000072342988 211092936 /nfs/dbraw/zinc/09/29/36/211092936.db2.gz NZODCKVGDMWZBI-HACGYAERSA-N 0 0 398.937 3.105 40 0 GGABRN COC(=O)CN1CCC(Oc2ncnc3c2c(C)c(C)n3C2CCCC2)CC1 ZINC000072336023 211092977 /nfs/dbraw/zinc/09/29/77/211092977.db2.gz QPDOEEVBEQISIK-UHFFFAOYSA-N 0 0 386.496 3.179 40 0 GGABRN CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccccc3C)=NO2)CCCN(CC(C)=O)C1 ZINC000072337734 211093009 /nfs/dbraw/zinc/09/30/09/211093009.db2.gz PUFWNYIRQSBAGQ-PGRDOPGGSA-N 0 0 386.492 3.112 40 0 GGABRN COc1ccc(Oc2nccnc2C2CCN(C(=O)c3cnccn3)CC2)cc1 ZINC000072362152 211101496 /nfs/dbraw/zinc/10/14/96/211101496.db2.gz HHLSIAXAJFNOMT-UHFFFAOYSA-N 0 0 391.431 3.087 40 0 GGABRN COc1ccccc1Oc1nccnc1[C@H]1CCCN(C(=O)c2cnccn2)C1 ZINC000072362141 211101394 /nfs/dbraw/zinc/10/13/94/211101394.db2.gz MPOUTKXYLZEGLV-HNNXBMFYSA-N 0 0 391.431 3.087 40 0 GGABRN Cc1cccc(Oc2nccnc2[C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)c1 ZINC000072362930 211101255 /nfs/dbraw/zinc/10/12/55/211101255.db2.gz SJNXUTPJASIYDP-MRXNPFEDSA-N 0 0 377.448 3.331 40 0 GGABRN O=C(c1cnccn1)N1CCC[C@H](c2cncc(Oc3cccc(F)c3)n2)C1 ZINC000072362160 211100950 /nfs/dbraw/zinc/10/09/50/211100950.db2.gz WPNIDXNRHUNUJM-AWEZNQCLSA-N 0 0 379.395 3.218 40 0 GGABRN Cc1c(C(=O)N2CCC[C@H](c3cncc(Oc4cccc(F)c4)n3)C2)cnn1C ZINC000072362619 211101023 /nfs/dbraw/zinc/10/10/23/211101023.db2.gz GSMSHCPLMIMTTL-HNNXBMFYSA-N 0 0 395.438 3.470 40 0 GGABRN Cc1cc(Nc2ncccc2C)nc([C@@H]2CCCN(C(=O)C3CCOCC3)C2)n1 ZINC000072360079 211100877 /nfs/dbraw/zinc/10/08/77/211100877.db2.gz UBMQHHXYGLKQRU-GOSISDBHSA-N 0 0 395.507 3.365 40 0 GGABRN Cn1ccc(C(=O)N2CCC(c3nccnc3Oc3ccccc3F)CC2)n1 ZINC000072362756 211100941 /nfs/dbraw/zinc/10/09/41/211100941.db2.gz GLIBBYXCTLOGSH-UHFFFAOYSA-N 0 0 381.411 3.161 40 0 GGABRN COc1ccccc1-c1nccnc1[C@@H]1CCCN(C(=O)Cc2ccncc2)C1 ZINC000072358839 211100581 /nfs/dbraw/zinc/10/05/81/211100581.db2.gz ILBAVDLYHIHHDZ-GOSISDBHSA-N 0 0 388.471 3.496 40 0 GGABRN Cc1c(C(=O)N2CCC[C@@H](c3cncc(Oc4cccc(F)c4)n3)C2)cnn1C ZINC000072362620 211100602 /nfs/dbraw/zinc/10/06/02/211100602.db2.gz GSMSHCPLMIMTTL-OAHLLOKOSA-N 0 0 395.438 3.470 40 0 GGABRN COc1cccc(Oc2cncc([C@H]3CCCN(Cc4ccnn4C)C3)n2)c1 ZINC000072362828 211100651 /nfs/dbraw/zinc/10/06/51/211100651.db2.gz KHTASZJRMUFAMI-INIZCTEOSA-N 0 0 379.464 3.391 40 0 GGABRN CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCC(c2cncc(Cl)n2)CC1 ZINC000072360863 211100667 /nfs/dbraw/zinc/10/06/67/211100667.db2.gz UCLWTRWGOPYQJZ-UHFFFAOYSA-N 0 0 382.892 3.139 40 0 GGABRN O=C(c1cnccn1)N1CCC[C@H](c2nccnc2Oc2cccc(F)c2)C1 ZINC000072362150 211100495 /nfs/dbraw/zinc/10/04/95/211100495.db2.gz WXXLALJZYFPRQI-AWEZNQCLSA-N 0 0 379.395 3.218 40 0 GGABRN COc1cccc(-c2cncc(C3CCN(C(=O)Cc4ccccn4)CC3)n2)c1 ZINC000072359596 211100500 /nfs/dbraw/zinc/10/05/00/211100500.db2.gz DTOZLRIKYVKHMB-UHFFFAOYSA-N 0 0 388.471 3.496 40 0 GGABRN O=C(c1cnccn1)N1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1 ZINC000072362142 211100188 /nfs/dbraw/zinc/10/01/88/211100188.db2.gz KNTIHMZHCBQGSA-CQSZACIVSA-N 0 0 379.395 3.218 40 0 GGABRN Cc1n[nH]cc1C(=O)N1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000072362524 211100194 /nfs/dbraw/zinc/10/01/94/211100194.db2.gz IZFWQAFQLPMTJP-AWEZNQCLSA-N 0 0 381.411 3.459 40 0 GGABRN COc1ccccc1Oc1cncc([C@@H]2CCCN(Cc3nccn3C)C2)n1 ZINC000072362783 211100023 /nfs/dbraw/zinc/10/00/23/211100023.db2.gz SPBZNPSOEFILDE-MRXNPFEDSA-N 0 0 379.464 3.391 40 0 GGABRN Nc1cc(-c2c[nH]nc2[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)ccn1 ZINC000072357459 211099538 /nfs/dbraw/zinc/09/95/38/211099538.db2.gz WZXAIKPSLZCLPY-KRWDZBQOSA-N 0 0 391.475 3.229 40 0 GGABRN Cc1ncc(C(=O)Nc2ccccc2F)c(CCNC(=O)Cc2ccccc2)n1 ZINC000072356031 211099324 /nfs/dbraw/zinc/09/93/24/211099324.db2.gz FMVIBOSUCRBQJA-UHFFFAOYSA-N 0 0 392.434 3.078 40 0 GGABRN CCc1nccn1-c1cncc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 ZINC000072355366 211099402 /nfs/dbraw/zinc/09/94/02/211099402.db2.gz IECULNLGWYTXOM-KRWDZBQOSA-N 0 0 393.466 3.313 40 0 GGABRN O=C(CCc1ccc(F)cc1)N1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 ZINC000072355636 211099102 /nfs/dbraw/zinc/09/91/02/211099102.db2.gz YKQXTLIOJDRHOD-KRWDZBQOSA-N 0 0 379.439 3.140 40 0 GGABRN Cc1nc(-c2cncnc2[C@@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)no1 ZINC000072356239 211099266 /nfs/dbraw/zinc/09/92/66/211099266.db2.gz WQLVAXDRSINPPH-MRXNPFEDSA-N 0 0 395.438 3.313 40 0 GGABRN O=C(CN1CCOCC1)N1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1 ZINC000072358037 211099023 /nfs/dbraw/zinc/09/90/23/211099023.db2.gz PMQQBHDRGLTTRM-OAQYLSRUSA-N 0 0 399.922 3.322 40 0 GGABRN CCc1nccn1-c1cncc(C2CCN(C(=O)Cc3ccccc3)CC2)n1 ZINC000072355353 211098869 /nfs/dbraw/zinc/09/88/69/211098869.db2.gz VILKFMMATXBPSL-UHFFFAOYSA-N 0 0 375.476 3.173 40 0 GGABRN CCc1nccn1-c1cncc(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000072355324 211098891 /nfs/dbraw/zinc/09/88/91/211098891.db2.gz AWUQONLLPJHTIL-UHFFFAOYSA-N 0 0 379.439 3.384 40 0 GGABRN COc1ccc(-c2cnc(N)nc2[C@H]2CCCN2C(=O)c2ccncc2)cc1 ZINC000072354733 211098609 /nfs/dbraw/zinc/09/86/09/211098609.db2.gz SDCAMIXEHNMHPN-GOSISDBHSA-N 0 0 375.432 3.107 40 0 GGABRN Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN2CC(=O)Nc2nccs2)n1 ZINC000072354671 211098388 /nfs/dbraw/zinc/09/83/88/211098388.db2.gz MDKCMZCUPUKNHY-OAHLLOKOSA-N 0 0 398.467 3.097 40 0 GGABRN COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)Cc2ccccn2)cc1 ZINC000072354786 211098195 /nfs/dbraw/zinc/09/81/95/211098195.db2.gz SDGVGAHXYMIQDR-IBGZPJMESA-N 0 0 389.459 3.036 40 0 GGABRN O=C(CCc1ccc(F)cc1)N1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 ZINC000072355637 211098339 /nfs/dbraw/zinc/09/83/39/211098339.db2.gz YKQXTLIOJDRHOD-QGZVFWFLSA-N 0 0 379.439 3.140 40 0 GGABRN COc1ccc(-c2cnc(N)nc2[C@H]2CCCN2C(=O)c2cccnc2)cc1 ZINC000072354727 211098118 /nfs/dbraw/zinc/09/81/18/211098118.db2.gz JSZMHVOJUJFICI-GOSISDBHSA-N 0 0 375.432 3.107 40 0 GGABRN CN(C)S(=O)(=O)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072349291 211097829 /nfs/dbraw/zinc/09/78/29/211097829.db2.gz GZJWSTVJYJYMJQ-HNNXBMFYSA-N 0 0 379.913 3.388 40 0 GGABRN COc1ccc(-c2cccc(C[C@H]3C(=O)NCCN3C(=O)CC(C)C)c2)cc1 ZINC000072351423 211097343 /nfs/dbraw/zinc/09/73/43/211097343.db2.gz XMQQNPDZJSTIIK-NRFANRHFSA-N 0 0 380.488 3.278 40 0 GGABRN Cc1nnc2ccc(CN3CCc4onc(Nc5cccc(F)c5)c4C3)cn12 ZINC000072352960 211097164 /nfs/dbraw/zinc/09/71/64/211097164.db2.gz SNMJJUXXHRJKJB-UHFFFAOYSA-N 0 0 378.411 3.467 40 0 GGABRN Cc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)CN4CCOCC4)C3)n2)c1 ZINC000072349702 211097196 /nfs/dbraw/zinc/09/71/96/211097196.db2.gz OTDQZXFZYVGHQG-OAQYLSRUSA-N 0 0 393.531 3.019 40 0 GGABRN O=C(CN1CCOCC1)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072349695 211096949 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CC(C)NC(=O)c1cc([C@@H]2CN(C(=O)C3CCCC3)CCO2)nc2ccccc21 ZINC000072352718 211096263 /nfs/dbraw/zinc/09/62/63/211096263.db2.gz NCWXJLWXAZORRD-NRFANRHFSA-N 0 0 395.503 3.463 40 0 GGABRN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4n3C)C2)cc1 ZINC000072347665 211095964 /nfs/dbraw/zinc/09/59/64/211095964.db2.gz DSXZZHZLWRZYEB-QGZVFWFLSA-N 0 0 378.476 3.115 40 0 GGABRN COCCOc1ccc(CN2C[C@@H]3ON=C(c4ccc(C)cc4)[C@H]3C2)cc1OC ZINC000072343287 211095810 /nfs/dbraw/zinc/09/58/10/211095810.db2.gz FSSMHCGNQLGSIG-UGKGYDQZSA-N 0 0 396.487 3.264 40 0 GGABRN O=C(Cc1ccc(F)cc1)N1CCC(n2nc(-c3ccco3)ccc2=O)CC1 ZINC000072334905 211091655 /nfs/dbraw/zinc/09/16/55/211091655.db2.gz WCTWNWODNPVJGH-UHFFFAOYSA-N 0 0 381.407 3.049 40 0 GGABRN CC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(=O)c1nccc2ccccc21 ZINC000072324210 211090388 /nfs/dbraw/zinc/09/03/88/211090388.db2.gz NTCDNCHJPWMODK-LJQANCHMSA-N 0 0 376.460 3.124 40 0 GGABRN Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000072324291 211089800 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C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)C1 ZINC000020492887 210341222 /nfs/dbraw/zinc/34/12/22/210341222.db2.gz IWGYHPSAPHXGST-HNNXBMFYSA-N 0 0 398.956 3.140 40 0 GGABRN CCOc1ccc([C@H](C)NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000020483008 210340039 /nfs/dbraw/zinc/34/00/39/210340039.db2.gz MWSLUAGAXSMOAG-HNNXBMFYSA-N 0 0 380.444 3.339 40 0 GGABRN CCc1ccccc1O[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000020483811 210340058 /nfs/dbraw/zinc/34/00/58/210340058.db2.gz LLSMCPUXGIGFDC-MRXNPFEDSA-N 0 0 379.460 3.453 40 0 GGABRN COc1ccc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 ZINC000020481364 210340089 /nfs/dbraw/zinc/34/00/89/210340089.db2.gz YVGVWHWUDOQDHR-LLVKDONJSA-N 0 0 382.869 3.211 40 0 GGABRN CN(C(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)C1CCCC1 ZINC000020483570 210339806 /nfs/dbraw/zinc/33/98/06/210339806.db2.gz ABEWTBVGYQKUHK-LJQANCHMSA-N 0 0 392.565 3.062 40 0 GGABRN Cc1cccc(C)c1N(CC(=O)N[C@@H]1CCCc2ccccc21)S(C)(=O)=O ZINC000020485850 210339822 /nfs/dbraw/zinc/33/98/22/210339822.db2.gz XTIQXANLKNTEDU-LJQANCHMSA-N 0 0 386.517 3.263 40 0 GGABRN COc1ccc([C@@H](C)NC(=O)c2cccc(CN3CCOCC3)c2)cc1OC ZINC000020482521 210339654 /nfs/dbraw/zinc/33/96/54/210339654.db2.gz JPAQMJLLLNTPRF-MRXNPFEDSA-N 0 0 384.476 3.027 40 0 GGABRN COC(=O)c1ccc(CS(=O)(=O)Nc2ccccc2Br)cc1 ZINC000020488864 210339556 /nfs/dbraw/zinc/33/95/56/210339556.db2.gz OZETVZRQSVQKKT-UHFFFAOYSA-N 0 0 384.251 3.178 40 0 GGABRN O=C(c1cc(CC2(NCc3ccccc3Cl)COC2)no1)N1CCCCC1 ZINC000067898483 210339430 /nfs/dbraw/zinc/33/94/30/210339430.db2.gz BNTUCUWOSGIZBU-UHFFFAOYSA-N 0 0 389.883 3.055 40 0 biogenic,in-vitro GGABRN COCCNC(=O)c1ccccc1NC(=O)c1cc2ccccc2cc1OC ZINC000020460258 210338693 /nfs/dbraw/zinc/33/86/93/210338693.db2.gz RWJXQLPVJJVDHC-UHFFFAOYSA-N 0 0 378.428 3.477 40 0 GGABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1ccc(F)cc1)S(C)(=O)=O ZINC000020457001 210338720 /nfs/dbraw/zinc/33/87/20/210338720.db2.gz QDXZFTGXDUJFRU-CYBMUJFWSA-N 0 0 398.887 3.258 40 0 GGABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC ZINC000020459891 210338767 /nfs/dbraw/zinc/33/87/67/210338767.db2.gz XACGWLMEBGZTJV-INIZCTEOSA-N 0 0 391.395 3.426 40 0 GGABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000020459091 210338518 /nfs/dbraw/zinc/33/85/18/210338518.db2.gz OSWNYRZSGRTWIR-KRWDZBQOSA-N 0 0 380.441 3.018 40 0 GGABRN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1Cl ZINC000020462007 210338564 /nfs/dbraw/zinc/33/85/64/210338564.db2.gz MYVHETJVAUMFBS-UHFFFAOYSA-N 0 0 396.852 3.276 40 0 GGABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000020459135 210338393 /nfs/dbraw/zinc/33/83/93/210338393.db2.gz LYEQJEVTQRPMHL-UHFFFAOYSA-N 0 0 382.913 3.410 40 0 GGABRN CC(C)(C)c1ccc(N(CC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000020459487 210338193 /nfs/dbraw/zinc/33/81/93/210338193.db2.gz TVXIYZFMNBGXDD-UHFFFAOYSA-N 0 0 392.496 3.206 40 0 GGABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC ZINC000020459890 210338198 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CCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(F)cc1 ZINC000020449310 210336937 /nfs/dbraw/zinc/33/69/37/210336937.db2.gz AMQMUSJLMMXHBM-CYBMUJFWSA-N 0 0 376.453 3.105 40 0 GGABRN CC[C@H](C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(F)cc1 ZINC000020449333 210336957 /nfs/dbraw/zinc/33/69/57/210336957.db2.gz KOPIRWCHSQJQTH-KBPBESRZSA-N 0 0 390.480 3.494 40 0 GGABRN CCS(=O)(=O)N1c2ccc(C(=O)Nc3cc(C)ccc3OC)cc2C[C@H]1C ZINC000020449127 210336585 /nfs/dbraw/zinc/33/65/85/210336585.db2.gz HWNYQOFYZYIOAY-CQSZACIVSA-N 0 0 388.489 3.357 40 0 GGABRN Fc1ccc(-c2cc(CC3(NCc4ccc5c(c4)OCO5)COC3)no2)cc1 ZINC000067897883 210326056 /nfs/dbraw/zinc/32/60/56/210326056.db2.gz BJZKIDVBRVVJDK-UHFFFAOYSA-N 0 0 382.391 3.311 40 0 biogenic,in-vitro GGABRN CC(C)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 ZINC000020245522 210324589 /nfs/dbraw/zinc/32/45/89/210324589.db2.gz JZYMAJQGVKBMKK-UHFFFAOYSA-N 0 0 375.494 3.305 40 0 GGABRN Cc1cc(Cl)ccc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 ZINC000020245633 210323664 /nfs/dbraw/zinc/32/36/64/210323664.db2.gz ZXAAYNXNRUZPTE-UHFFFAOYSA-N 0 0 381.885 3.143 40 0 GGABRN Cc1cc(S(=O)(=O)NCCCc2ccc(F)cc2)ccc1N1CCCC1=O ZINC000020453310 210335933 /nfs/dbraw/zinc/33/59/33/210335933.db2.gz IROCNZRAYPEGBW-UHFFFAOYSA-N 0 0 390.480 3.172 40 0 GGABRN CCc1ccccc1O[C@H](C)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020453677 210335871 /nfs/dbraw/zinc/33/58/71/210335871.db2.gz YPUPSGCGVPFVRG-QGZVFWFLSA-N 0 0 396.487 3.089 40 0 GGABRN CCOc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)CC ZINC000020449107 210334946 /nfs/dbraw/zinc/33/49/46/210334946.db2.gz RJKCSMVUWNXDNP-AWEZNQCLSA-N 0 0 388.489 3.438 40 0 GGABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(N)=O)cc3c2)cc1C ZINC000020447937 210333830 /nfs/dbraw/zinc/33/38/30/210333830.db2.gz GZWVCLFRHPMCAP-UHFFFAOYSA-N 0 0 390.486 3.142 40 0 GGABRN COc1ccc(-c2cc(CC3(NCc4ccc5c(c4)OCO5)COC3)no2)cc1 ZINC000067898358 210333096 /nfs/dbraw/zinc/33/30/96/210333096.db2.gz DQVQEUJGKAREOR-UHFFFAOYSA-N 0 0 394.427 3.180 40 0 biogenic,in-vitro GGABRN CCN(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(F)cc1 ZINC000020014860 210311004 /nfs/dbraw/zinc/31/10/04/210311004.db2.gz AWSFVVQKUCOANC-IBGZPJMESA-N 0 0 390.480 3.030 40 0 GGABRN CSc1ccc([C@@H](C)NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1 ZINC000020013301 210310676 /nfs/dbraw/zinc/31/06/76/210310676.db2.gz NUICXTDERIHWRL-CQSZACIVSA-N 0 0 384.567 3.180 40 0 GGABRN O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020007708 210310712 /nfs/dbraw/zinc/31/07/12/210310712.db2.gz JSWYQQVHEUGULC-HXUWFJFHSA-N 0 0 398.459 3.354 40 0 GGABRN Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000020019498 210310404 /nfs/dbraw/zinc/31/04/04/210310404.db2.gz BVTVICFASNWHBD-UHFFFAOYSA-N 0 0 394.468 3.086 40 0 GGABRN COc1ccc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)cc1 ZINC000020144659 210320016 /nfs/dbraw/zinc/32/00/16/210320016.db2.gz PNTUKRYXPGQAHJ-UHFFFAOYSA-N 0 0 383.400 3.474 40 0 GGABRN COc1cc(NC(=O)c2ccc3c(c2)OCCO3)ccc1-c1ccc(CO)o1 ZINC000020140782 210318851 /nfs/dbraw/zinc/31/88/51/210318851.db2.gz DPIMGZYHCXVPJH-UHFFFAOYSA-N 0 0 381.384 3.471 40 0 GGABRN CCc1ccccc1N(CC(=O)N(C)Cc1ccc(Cl)cc1)S(C)(=O)=O ZINC000020111258 210318799 /nfs/dbraw/zinc/31/87/99/210318799.db2.gz HPAJNMQECXBMKD-UHFFFAOYSA-N 0 0 394.924 3.327 40 0 GGABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CCc1ccc(C)cc1 ZINC000020112402 210318441 /nfs/dbraw/zinc/31/84/41/210318441.db2.gz OLOUQZACOUQWHV-UHFFFAOYSA-N 0 0 390.505 3.262 40 0 GGABRN COc1ccc(CN(C)S(=O)(=O)Cc2c(F)cccc2Cl)cc1OC ZINC000020110751 210318554 /nfs/dbraw/zinc/31/85/54/210318554.db2.gz BLPDEDHUUHVTBJ-UHFFFAOYSA-N 0 0 387.860 3.458 40 0 GGABRN Cc1ccc(-n2c(=O)c3c(cnn3C)n(Cc3c(F)cccc3Cl)c2=O)cc1 ZINC000020132358 210317863 /nfs/dbraw/zinc/31/78/63/210317863.db2.gz UBHAYIWUTYCOTK-UHFFFAOYSA-N 0 0 398.825 3.035 40 0 GGABRN COc1ccc(/C=C/C(=O)NCc2ccc(-n3ccnc3)cc2)c(OC)c1OC ZINC000020108551 210316328 /nfs/dbraw/zinc/31/63/28/210316328.db2.gz YVZXZBCYYQIUCR-YRNVUSSQSA-N 0 0 393.443 3.228 40 0 GGABRN COCCCNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000020109016 210316074 /nfs/dbraw/zinc/31/60/74/210316074.db2.gz RCDPVFGESSCTCY-UHFFFAOYSA-N 0 0 396.896 3.216 40 0 GGABRN CC[C@H](NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1)c1ccccc1 ZINC000020110134 210316087 /nfs/dbraw/zinc/31/60/87/210316087.db2.gz WQTZDAKGKRGJOZ-KRWDZBQOSA-N 0 0 388.489 3.252 40 0 GGABRN O=S(=O)(NCc1ccc(-n2ccnc2)cc1)c1ccc(Br)s1 ZINC000020104411 210316135 /nfs/dbraw/zinc/31/61/35/210316135.db2.gz CXPHNCUWZAEMLO-UHFFFAOYSA-N 0 0 398.307 3.175 40 0 GGABRN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N(C)C2CCCCC2)CC1 ZINC000020108401 210315738 /nfs/dbraw/zinc/31/57/38/210315738.db2.gz FALXWSRQNRAUCR-UHFFFAOYSA-N 0 0 392.565 3.328 40 0 GGABRN Cc1ccccc1N(CC(=O)N(C)Cc1ccc(Cl)cc1)S(C)(=O)=O ZINC000020109117 210315542 /nfs/dbraw/zinc/31/55/42/210315542.db2.gz SQZOFLSLUHFYFU-UHFFFAOYSA-N 0 0 380.897 3.073 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(F)ccc2C)cc1C ZINC000020016381 210309817 /nfs/dbraw/zinc/30/98/17/210309817.db2.gz SRCCVOLVEPQMJY-CQSZACIVSA-N 0 0 394.468 3.147 40 0 GGABRN COc1ccc(CCNC(=O)CSc2ccc(OC)c(OC)c2)cc1OC ZINC000020048367 210315128 /nfs/dbraw/zinc/31/51/28/210315128.db2.gz KIOZYNMBHVJUEN-UHFFFAOYSA-N 0 0 391.489 3.172 40 0 GGABRN COC(=O)c1ccc(CS(=O)(=O)NCCCc2ccc(Cl)cc2)cc1 ZINC000020047960 210314961 /nfs/dbraw/zinc/31/49/61/210314961.db2.gz QWGKKTJJZOXACB-UHFFFAOYSA-N 0 0 381.881 3.179 40 0 GGABRN O=C(NC[C@@H]1CCCO1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020048691 210314241 /nfs/dbraw/zinc/31/42/41/210314241.db2.gz OKUQVFOHXNYNIW-AWEZNQCLSA-N 0 0 394.880 3.050 40 0 GGABRN O=C([C@H](O)c1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F ZINC000020070068 210314184 /nfs/dbraw/zinc/31/41/84/210314184.db2.gz VYNRWUWOERBMLC-WBVHZDCISA-N 0 0 398.768 3.261 40 0 GGABRN CCC(=O)Nc1cc(S(=O)(=O)N[C@H]2CCCc3ccccc32)ccc1OC ZINC000020025243 210313244 /nfs/dbraw/zinc/31/32/44/210313244.db2.gz QFSAZMIVFUGPPQ-KRWDZBQOSA-N 0 0 388.489 3.400 40 0 GGABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)cc1C(=O)NC(C)C ZINC000020043072 210313299 /nfs/dbraw/zinc/31/32/99/210313299.db2.gz 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O=C(Cc1ccccc1F)N1CCCC[C@H]1C1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000019746637 210291222 /nfs/dbraw/zinc/29/12/22/210291222.db2.gz GWWGCEAXPXTYLK-FQEVSTJZSA-N 0 0 398.482 3.025 40 0 GGABRN CC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)C(=O)CC3)C1 ZINC000019741527 210291300 /nfs/dbraw/zinc/29/13/00/210291300.db2.gz XQTZGPZMMOYEOT-KRWDZBQOSA-N 0 0 396.466 3.129 40 0 GGABRN Cc1nccn1CCCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCO1 ZINC000019740020 210291039 /nfs/dbraw/zinc/29/10/39/210291039.db2.gz POAATOKXVFOKRF-QFIPXVFZSA-N 0 0 394.475 3.145 40 0 GGABRN Cc1ccc(C(C)(C)C(=O)N2CC[C@H](C(=O)NCCc3ccccc3)C2)cc1 ZINC000019747939 210290785 /nfs/dbraw/zinc/29/07/85/210290785.db2.gz GUPAFZPRWHZFJF-FQEVSTJZSA-N 0 0 378.516 3.480 40 0 GGABRN Cc1nc(C)c(C(=O)N2CC[C@H](C(=O)NCCc3ccc(Cl)cc3)C2)s1 ZINC000019747994 210290600 /nfs/dbraw/zinc/29/06/00/210290600.db2.gz LOCJUKCIEUEHHO-HNNXBMFYSA-N 0 0 391.924 3.234 40 0 GGABRN COc1ccccc1C[C@H](C)NC(=O)CC1CCN(c2nc(C)cc(C)n2)CC1 ZINC000019748217 210290300 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CCn1cc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4F)c3)no2)cn1 ZINC000019719303 210288822 /nfs/dbraw/zinc/28/88/22/210288822.db2.gz QBSWWECDOSTYAI-UHFFFAOYSA-N 0 0 380.383 3.194 40 0 GGABRN COc1ccc2c(c1)c(C[C@@H](C)NC(=O)c1ccc3c(c1)ncn3C)cn2C ZINC000019718433 210288900 /nfs/dbraw/zinc/28/89/00/210288900.db2.gz LTNSBRUSYUUNDQ-CQSZACIVSA-N 0 0 376.460 3.435 40 0 GGABRN CCn1cc(-c2cc(C(=O)NCc3cccc(N4CCCCC4)c3)no2)cn1 ZINC000019719253 210288621 /nfs/dbraw/zinc/28/86/21/210288621.db2.gz BKQCKEINSTUCLP-UHFFFAOYSA-N 0 0 379.464 3.478 40 0 GGABRN Cc1nn(C)cc1-c1csc(NC(=O)c2ccccc2Cn2cccn2)n1 ZINC000019719187 210288639 /nfs/dbraw/zinc/28/86/39/210288639.db2.gz WJHLBPOCYYAWMH-UHFFFAOYSA-N 0 0 378.461 3.349 40 0 GGABRN CCOc1ccc([C@H]2CCCN2C(=O)c2cc(-c3cn(C)nc3C)n[nH]2)cc1 ZINC000019718736 210288686 /nfs/dbraw/zinc/28/86/86/210288686.db2.gz DSYFQMGLTCYFFX-HXUWFJFHSA-N 0 0 379.464 3.495 40 0 GGABRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCCc3c(C)nn(C)c3C)c2)n1 ZINC000019718333 210288753 /nfs/dbraw/zinc/28/87/53/210288753.db2.gz 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Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)COc1ccc2c(c1)OCO2 ZINC000019578400 210270176 /nfs/dbraw/zinc/27/01/76/210270176.db2.gz HROMBQHVOGLRSS-UHFFFAOYSA-N 0 0 397.406 3.052 40 0 GGABRN CN(C)c1ncccc1CN1CCCC[C@H]1c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019584125 210269958 /nfs/dbraw/zinc/26/99/58/210269958.db2.gz XZSSQLCWTMJHIU-IBGZPJMESA-N 0 0 390.491 3.432 40 0 GGABRN CCn1cnc2cc(NS(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)ccc21 ZINC000019578326 210270060 /nfs/dbraw/zinc/27/00/60/210270060.db2.gz OLXBCWIHBJUGCY-UHFFFAOYSA-N 0 0 398.488 3.156 40 0 GGABRN Cc1noc(C)c1C(=O)N[C@@H](Cc1cc(=O)[nH]c(C)n1)c1ccc(Cl)cc1 ZINC000019580187 210269816 /nfs/dbraw/zinc/26/98/16/210269816.db2.gz KOSOEJGSOYBVFN-INIZCTEOSA-N 0 0 386.839 3.050 40 0 GGABRN Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](c1cccs1)c1ccncc1 ZINC000019578550 210269704 /nfs/dbraw/zinc/26/97/04/210269704.db2.gz VBNDVUDCWVOTME-IBGZPJMESA-N 0 0 392.488 3.036 40 0 GGABRN CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)C2CCC2)C1 ZINC000019578819 210269782 /nfs/dbraw/zinc/26/97/82/210269782.db2.gz KAUJJNGJQTXUHF-QHCPKHFHSA-N 0 0 395.503 3.381 40 0 GGABRN COc1ccc(CCCC(=O)N2CCC(c3[nH]nc4nccnc43)CC2)cc1C ZINC000019571291 210268821 /nfs/dbraw/zinc/26/88/21/210268821.db2.gz WRHULIZNRFFSQJ-UHFFFAOYSA-N 0 0 393.491 3.399 40 0 GGABRN Cc1cc(C)n(CCCC(=O)Nc2ccc3c(c2)nc(C(C)C)n3C)c(=O)n1 ZINC000019572610 210268332 /nfs/dbraw/zinc/26/83/32/210268332.db2.gz XRNKQQTUKDJENN-UHFFFAOYSA-N 0 0 381.480 3.289 40 0 GGABRN CN(Cc1ccncc1)C(=O)c1cc(-c2ccccn2)c(N2CCOCC2)s1 ZINC000019586591 210273920 /nfs/dbraw/zinc/27/39/20/210273920.db2.gz RQECNZVZRLJRBD-UHFFFAOYSA-N 0 0 394.500 3.314 40 0 GGABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000019591415 210273535 /nfs/dbraw/zinc/27/35/35/210273535.db2.gz UYYYNCKKQXJAAJ-AVRDEDQJSA-N 0 0 398.528 3.101 40 0 GGABRN COCCOc1cccc(CN2CCc3nc([C@@H]4CCCCN4C)ncc3C2)c1 ZINC000019589024 210273279 /nfs/dbraw/zinc/27/32/79/210273279.db2.gz XKASXVXWMYEZFT-QFIPXVFZSA-N 0 0 396.535 3.217 40 0 GGABRN CNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@H]2CCCO2)C1 ZINC000019591409 210273078 /nfs/dbraw/zinc/27/30/78/210273078.db2.gz JMCURIRPIGTXGE-KNQAVFIVSA-N 0 0 398.528 3.101 40 0 GGABRN CN(CCc1ccccc1)c1nc([C@H]2CC(=O)N(C3CCCCC3)C2)cc(=O)[nH]1 ZINC000019586221 210272422 /nfs/dbraw/zinc/27/24/22/210272422.db2.gz XDEPHCAHYCSPLV-SFHVURJKSA-N 0 0 394.519 3.097 40 0 GGABRN CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)C2CCC2)C1 ZINC000019591388 210271693 /nfs/dbraw/zinc/27/16/93/210271693.db2.gz NMZAMQLNCMHALG-HSZRJFAPSA-N 0 0 377.488 3.056 40 0 GGABRN COc1cc([C@@H]2CC(=O)N=C3N=CNN32)ccc1OCc1ccccc1Cl ZINC000409375744 533123290 /nfs/dbraw/zinc/12/32/90/533123290.db2.gz OTHLAGVSPVOKOX-HNNXBMFYSA-N 0 0 384.823 3.104 40 0 GGABRN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NC1CCCCC1 ZINC000005020923 220813281 /nfs/dbraw/zinc/81/32/81/220813281.db2.gz ZCHWAKCEGITRKF-CQSZACIVSA-N 0 0 383.448 3.099 40 0 GGABRN COc1cc(C2=NO[C@@H](C(=O)N[C@H](C)c3ccccc3)C2)cc(OC)c1OC ZINC000005031022 220816085 /nfs/dbraw/zinc/81/60/85/220816085.db2.gz GOACRFMJYDEXMP-BFUOFWGJSA-N 0 0 384.432 3.083 40 0 GGABRN COc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(Br)o1 ZINC000005129061 220832860 /nfs/dbraw/zinc/83/28/60/220832860.db2.gz BNZDQWAGOGKBSV-VQHVLOKHSA-N 0 0 380.194 3.246 40 0 GGABRN O=C(COc1ccc(Cl)cc1Cl)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000005109501 220830778 /nfs/dbraw/zinc/83/07/78/220830778.db2.gz SLADMVRJBTWNSJ-UHFFFAOYSA-N 0 0 397.214 3.492 40 0 GGABRN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)ccc2O)cc1 ZINC000005746218 220895760 /nfs/dbraw/zinc/89/57/60/220895760.db2.gz ZINIZQJCCHYATN-JTQLQIEISA-N 0 0 376.796 3.188 40 0 GGABRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc2c(c1)OCO2 ZINC000008294405 221034740 /nfs/dbraw/zinc/03/47/40/221034740.db2.gz IQOIEOGBTYQZKK-UHFFFAOYSA-N 0 0 381.215 3.433 40 0 GGABRN CSCC[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc21)c1nc2ccccc2[nH]1 ZINC000008776444 221058461 /nfs/dbraw/zinc/05/84/61/221058461.db2.gz BDSCALWAZODFMF-MRXNPFEDSA-N 0 0 393.472 3.024 40 0 GGABRN C[C@@H](Sc1n[nH]c(=O)n1C[C@H]1CCCO1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008778191 221058467 /nfs/dbraw/zinc/05/84/67/221058467.db2.gz HHQSAGFNGMYPSB-QOLSXCEWSA-N 0 0 391.537 3.017 40 0 GGABRN Cc1cc(C)n(-c2ccc(C(=O)OCc3cc(=O)n4cc(C)ccc4n3)cc2)n1 ZINC000008777147 221058526 /nfs/dbraw/zinc/05/85/26/221058526.db2.gz GFVZADBFMHSJCB-UHFFFAOYSA-N 0 0 388.427 3.162 40 0 GGABRN O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1cc(-c2ccccc2)on1 ZINC000008777521 221059076 /nfs/dbraw/zinc/05/90/76/221059076.db2.gz ZIXUTOURXAGPNW-OAQYLSRUSA-N 0 0 375.384 3.071 40 0 GGABRN COc1ccc(CCNC(=O)COC(=O)c2csc3c2CC[C@H](C)C3)cc1 ZINC000008669530 221049098 /nfs/dbraw/zinc/04/90/98/221049098.db2.gz DAIWQTQWYBKXDZ-AWEZNQCLSA-N 0 0 387.501 3.397 40 0 GGABRN CCn1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)c1C ZINC000008750717 221054979 /nfs/dbraw/zinc/05/49/79/221054979.db2.gz UWLWPVANXJNIBZ-HSZRJFAPSA-N 0 0 393.487 3.481 40 0 GGABRN Cc1ccc(-c2nnc(S[C@H](C(=O)N3CCCC3)c3ccccc3)n2N)cc1 ZINC000008753448 221055976 /nfs/dbraw/zinc/05/59/76/221055976.db2.gz FAQZSPHLLGBLGK-SFHVURJKSA-N 0 0 393.516 3.423 40 0 GGABRN COc1ccc(-n2nc3ccc(NC(=S)NC(=O)C(C)(C)C)cc3n2)cc1 ZINC000408628912 533219764 /nfs/dbraw/zinc/21/97/64/533219764.db2.gz XYIZRADIYJHAMF-UHFFFAOYSA-N 0 0 383.477 3.288 40 0 GGABRN CCN1CCOc2ccc(NC(=O)c3ccc(Br)o3)cc2C1=O ZINC000009828129 221091576 /nfs/dbraw/zinc/09/15/76/221091576.db2.gz PGHCFTJTTUIZGM-UHFFFAOYSA-N 0 0 379.210 3.149 40 0 GGABRN COc1cc(CNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc(OC)c1OC ZINC000009887705 221093431 /nfs/dbraw/zinc/09/34/31/221093431.db2.gz MLOQYLSBOILIQY-LBPRGKRZSA-N 0 0 379.840 3.450 40 0 GGABRN COc1cc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc(OC)c1OC ZINC000009887970 221093573 /nfs/dbraw/zinc/09/35/73/221093573.db2.gz ZXTIEHXIPZOVFZ-LBPRGKRZSA-N 0 0 379.840 3.450 40 0 GGABRN COc1ccccc1N1CCN(C(=S)Nc2cccc(OC)c2OC)CC1 ZINC000009877248 221093633 /nfs/dbraw/zinc/09/36/33/221093633.db2.gz ODTXVUWKXVMRJK-UHFFFAOYSA-N 0 0 387.505 3.231 40 0 GGABRN CCOc1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1OCC ZINC000009887886 221094053 /nfs/dbraw/zinc/09/40/53/221094053.db2.gz PEWQTCVCNXBOLS-UHFFFAOYSA-N 0 0 389.448 3.440 40 0 GGABRN O=C(c1cccc(Cl)c1)N1CCN(c2ccc(-c3cccnc3)nn2)CC1 ZINC000011693987 221121578 /nfs/dbraw/zinc/12/15/78/221121578.db2.gz NVNPCLGQPDJNOK-UHFFFAOYSA-N 0 0 379.851 3.154 40 0 GGABRN COc1cc(OC)c(C2=CCN(C(=O)CCc3cccnc3)CC2)c(OC)c1 ZINC000011918754 221137973 /nfs/dbraw/zinc/13/79/73/221137973.db2.gz MVAZQTVYKHYKDT-UHFFFAOYSA-N 0 0 382.460 3.356 40 0 GGABRN Cc1cc(C)n2ncc(C(=O)N3CCC(c4onc5c4C[C@H](C)CC5)CC3)c2n1 ZINC000012119853 221153202 /nfs/dbraw/zinc/15/32/02/221153202.db2.gz YIAYQXUMZMBBGW-CYBMUJFWSA-N 0 0 393.491 3.479 40 0 GGABRN Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)CCn3nc(C)cc3C)C2)on1 ZINC000012118427 221153275 /nfs/dbraw/zinc/15/32/75/221153275.db2.gz VCIJKVHMGQJBMZ-QGZVFWFLSA-N 0 0 394.479 3.050 40 0 GGABRN Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)CCn3nc(C)cc3C)C2)on1 ZINC000012118428 221153551 /nfs/dbraw/zinc/15/35/51/221153551.db2.gz VCIJKVHMGQJBMZ-KRWDZBQOSA-N 0 0 394.479 3.050 40 0 GGABRN c1cnc(N2CCC[C@@H](c3nc(N4CCCC4)ncc3-c3ccncc3)C2)nc1 ZINC000012120182 221153956 /nfs/dbraw/zinc/15/39/56/221153956.db2.gz JHXBEBRJIFALKW-GOSISDBHSA-N 0 0 387.491 3.313 40 0 GGABRN COc1cccc([C@@]2(O)CC[C@@H]3CN(C(=O)c4cc(C(C)(C)C)nn4C)C[C@@H]32)c1 ZINC000012121125 221154737 /nfs/dbraw/zinc/15/47/37/221154737.db2.gz ATVVHHDERITVPG-TWWFPWMWSA-N 0 0 397.519 3.096 40 0 GGABRN CCCSc1ncc(CN2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cn1 ZINC000012121937 221154869 /nfs/dbraw/zinc/15/48/69/221154869.db2.gz RUOMKQUHZVPZRO-UHFFFAOYSA-N 0 0 394.504 3.095 40 0 GGABRN O=C(N1CCC(n2nc(-c3ccco3)ccc2=O)CC1)C1(c2ccccc2)CC1 ZINC000012129281 221155635 /nfs/dbraw/zinc/15/56/35/221155635.db2.gz BMXQKJBHXOGVND-UHFFFAOYSA-N 0 0 389.455 3.399 40 0 GGABRN Cn1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](c3cc(C(F)F)n[nH]3)C2)ccc1=O ZINC000012129249 221156322 /nfs/dbraw/zinc/15/63/22/221156322.db2.gz BYAFMHOQYCKCJO-JKSUJKDBSA-N 0 0 398.413 3.069 40 0 GGABRN Cc1ccc(-c2cc(CC3(C(=O)NCCc4c[nH]cn4)CCOCC3)on2)cc1 ZINC000012126555 221156332 /nfs/dbraw/zinc/15/63/32/221156332.db2.gz GUEJCBXJCBMFSE-UHFFFAOYSA-N 0 0 394.475 3.071 40 0 GGABRN COCCNc1nc(-c2ccncc2)nc2c1CCN(Cc1ccc(F)cc1)C2 ZINC000012123243 221156563 /nfs/dbraw/zinc/15/65/63/221156563.db2.gz WYQKQZMRLGIPRP-UHFFFAOYSA-N 0 0 393.466 3.294 40 0 GGABRN Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H](c3[nH]nc4nccnc43)C2)cc1C ZINC000012365079 221185013 /nfs/dbraw/zinc/18/50/13/221185013.db2.gz DJVSOZNXVABARJ-QGZVFWFLSA-N 0 0 391.475 3.339 40 0 GGABRN COC(=O)[C@@H]1CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1c1ccc(OC)cc1 ZINC000012181293 221162260 /nfs/dbraw/zinc/16/22/60/221162260.db2.gz OOIYMDZMSQMKRP-RBUKOAKNSA-N 0 0 387.863 3.306 40 0 GGABRN CCOC(=O)[C@@H]1CCCN(c2nc(C)nc3c2CN(Cc2ccccc2)CC3)C1 ZINC000012183278 221162424 /nfs/dbraw/zinc/16/24/24/221162424.db2.gz GDQZQWSDJXHXCI-LJQANCHMSA-N 0 0 394.519 3.123 40 0 GGABRN C[C@H](C(=O)Nc1cc(F)ccc1F)n1nc(-c2cccs2)cc(N)c1=O ZINC000012181228 221162454 /nfs/dbraw/zinc/16/24/54/221162454.db2.gz IDRZPHPHISYUQD-SECBINFHSA-N 0 0 376.388 3.032 40 0 GGABRN Cc1cc(-c2cc(N)c(=O)n([C@H](C)C(=O)NC3CCCCCCC3)n2)c(C)o1 ZINC000012183706 221162642 /nfs/dbraw/zinc/16/26/42/221162642.db2.gz IJYUECROXVBRMO-CQSZACIVSA-N 0 0 386.496 3.492 40 0 GGABRN C[C@H](C(=O)N1c2ccccc2C[C@H]1C)n1nc(-c2cccs2)cc(N)c1=O ZINC000012181611 221162656 /nfs/dbraw/zinc/16/26/56/221162656.db2.gz WBRAEDHDXAXQFF-CHWSQXEVSA-N 0 0 380.473 3.093 40 0 GGABRN Cc1sc2nc(C3CC3)n3c(nn(CC(=O)N4CCCC[C@H]4C)c3=O)c2c1C ZINC000012182022 221162740 /nfs/dbraw/zinc/16/27/40/221162740.db2.gz RNXDMGNYAYSLRS-LLVKDONJSA-N 0 0 399.520 3.001 40 0 GGABRN Cc1occc1-c1nn(C2CCN(C(=O)CCc3ccccc3)CC2)c(=O)o1 ZINC000012182936 221162767 /nfs/dbraw/zinc/16/27/67/221162767.db2.gz IYQGETWGCJNDLV-UHFFFAOYSA-N 0 0 381.432 3.201 40 0 GGABRN C[C@H](C(=O)Nc1ccc(F)c(F)c1)n1nc(-c2cccs2)cc(N)c1=O ZINC000012181604 221162807 /nfs/dbraw/zinc/16/28/07/221162807.db2.gz IFZFNTKZPVNNOI-SECBINFHSA-N 0 0 376.388 3.032 40 0 GGABRN Cc1sc2nc(C3CC3)n3c(nn(CC(=O)NC4CCCCC4)c3=O)c2c1C ZINC000012182015 221162882 /nfs/dbraw/zinc/16/28/82/221162882.db2.gz DZEIKVAYYNTACX-UHFFFAOYSA-N 0 0 399.520 3.049 40 0 GGABRN CCOC(=O)C1CCN(c2nc(C)nc3c2CN(Cc2ccccc2)CC3)CC1 ZINC000012183228 221162965 /nfs/dbraw/zinc/16/29/65/221162965.db2.gz QZHYJABJTRFIDR-UHFFFAOYSA-N 0 0 394.519 3.123 40 0 GGABRN CCCc1nn(CC(=O)N2C[C@@H](C)C[C@H](C)C2)c(=O)c2cc3ccsc3n21 ZINC000012181689 221163049 /nfs/dbraw/zinc/16/30/49/221163049.db2.gz KIWDUCPJGSNGOY-KBPBESRZSA-N 0 0 386.521 3.168 40 0 GGABRN C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)n1nc(-c2cccs2)cc(N)c1=O ZINC000012181326 221163061 /nfs/dbraw/zinc/16/30/61/221163061.db2.gz VQJAXZGXEPKURV-LBPRGKRZSA-N 0 0 380.473 3.242 40 0 GGABRN O=C(Cn1ncc2ccccc2c1=O)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 ZINC000012181117 221163130 /nfs/dbraw/zinc/16/31/30/221163130.db2.gz DNDRKSAIUZNMLK-CTXDPNEZSA-N 0 0 391.446 3.473 40 0 GGABRN Cc1cc(-c2cc(N)c(=O)n([C@@H](C)C(=O)Nc3ccc4c(c3)CCC4)n2)c(C)o1 ZINC000012183748 221163552 /nfs/dbraw/zinc/16/35/52/221163552.db2.gz ASCSSLRHSKFZQI-ZDUSSCGKSA-N 0 0 392.459 3.391 40 0 GGABRN CC1CCN(C(=O)CN2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)CC1 ZINC000012184725 221163711 /nfs/dbraw/zinc/16/37/11/221163711.db2.gz INPARNZAXJKBPT-UHFFFAOYSA-N 0 0 391.899 3.143 40 0 GGABRN C[C@H](NC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccc(Cl)c(Cl)c1 ZINC000014424979 221309566 /nfs/dbraw/zinc/30/95/66/221309566.db2.gz KFNAOBCOBNXTCA-WCFLWFBJSA-N 0 0 383.275 3.346 40 0 GGABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(-c4ccccc4)nn32)c(Cl)c1 ZINC000014607312 221312978 /nfs/dbraw/zinc/31/29/78/221312978.db2.gz DAHBSGWSFZYAKM-HNNXBMFYSA-N 0 0 381.823 3.429 40 0 GGABRN Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(-c3ccc(Cl)cc3)nn21 ZINC000014607336 221313454 /nfs/dbraw/zinc/31/34/54/221313454.db2.gz GJAFQIKELMQGGT-HNNXBMFYSA-N 0 0 381.823 3.429 40 0 GGABRN O=C(Cn1nnc(-c2ccccc2)n1)N(Cc1ccccn1)C1CCCCC1 ZINC000019717760 221447309 /nfs/dbraw/zinc/44/73/09/221447309.db2.gz POVXMGFEUNHYNA-UHFFFAOYSA-N 0 0 376.464 3.097 40 0 GGABRN COc1ccc(C(=O)N2CC[NH+]([C@H](CCC(=O)[O-])c3ccc(C)cc3)CC2)cc1 ZINC000408604889 533304427 /nfs/dbraw/zinc/30/44/27/533304427.db2.gz FPOUAJHMPGTNBH-OAQYLSRUSA-N 0 0 396.487 3.368 40 0 GGABRN COc1ccc(C(=O)Oc2ccc(-c3ccc(OC)c(OC)c3)nn2)cc1OC ZINC000408527845 533353249 /nfs/dbraw/zinc/35/32/49/533353249.db2.gz CRZKNGCRYNGNKD-UHFFFAOYSA-N 0 0 396.399 3.397 40 0 GGABRN CS(=O)(=O)N(CC(=O)Nc1cccc2ccccc21)Cc1ccc(F)cc1 ZINC000408602615 533378525 /nfs/dbraw/zinc/37/85/25/533378525.db2.gz AFGDAHMJDKILQN-UHFFFAOYSA-N 0 0 386.448 3.379 40 0 GGABRN COc1ccc(C(=O)NC(=S)NNc2ccccc2)cc1Br ZINC000408628887 533320157 /nfs/dbraw/zinc/32/01/57/533320157.db2.gz XPBLMNPCAAQVTI-UHFFFAOYSA-N 0 0 380.267 3.089 40 0 GGABRN COc1ccc(C)cc1NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000409000814 533400624 /nfs/dbraw/zinc/40/06/24/533400624.db2.gz YOLVQZYYNRIESZ-KRWDZBQOSA-N 0 0 382.416 3.270 40 0 GGABRN COc1ccc(C)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000408562021 533403164 /nfs/dbraw/zinc/40/31/64/533403164.db2.gz XAZVQHQSAMKTLV-HNNXBMFYSA-N 0 0 398.484 3.462 40 0 GGABRN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)ccc1OCC(N)=O ZINC000408994085 533456058 /nfs/dbraw/zinc/45/60/58/533456058.db2.gz YJTBZSSIPVUQEV-UHFFFAOYSA-N 0 0 399.472 3.206 40 0 GGABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000408554856 533406018 /nfs/dbraw/zinc/40/60/18/533406018.db2.gz UYJTZUGWOHTNAZ-CYBMUJFWSA-N 0 0 396.896 3.271 40 0 GGABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000408556080 533406054 /nfs/dbraw/zinc/40/60/54/533406054.db2.gz CCWLWPGKIDIPKE-ZDUSSCGKSA-N 0 0 394.518 3.031 40 0 GGABRN COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OC ZINC000409066004 533471526 /nfs/dbraw/zinc/47/15/26/533471526.db2.gz LIELODDVBKFWSY-VGOFMYFVSA-N 0 0 388.807 3.463 40 0 GGABRN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NC(C)(C)C)cc1)c1ccccc1 ZINC000409146612 533483228 /nfs/dbraw/zinc/48/32/28/533483228.db2.gz UXUKRNWGOCMPCM-OAHLLOKOSA-N 0 0 390.505 3.020 40 0 GGABRN 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396.896 3.433 40 0 GGABRN CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NCc1ccc(C(C)C)cc1 ZINC000408709850 527726829 /nfs/dbraw/zinc/72/68/29/527726829.db2.gz YBRCVZZEYSNORK-UHFFFAOYSA-N 0 0 381.476 3.203 40 0 GGABRN CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000021450262 527728925 /nfs/dbraw/zinc/72/89/25/527728925.db2.gz BOAGFGOGVNIPRO-CQSZACIVSA-N 0 0 399.878 3.470 40 0 GGABRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC)c(OC)c2)C1=O ZINC000409020652 527729072 /nfs/dbraw/zinc/72/90/72/527729072.db2.gz RQLRYXBWONHUMP-HGLKBHAMSA-N 0 0 379.434 3.082 40 0 GGABRN CC(C)OCCCNC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O ZINC000408704162 527941342 /nfs/dbraw/zinc/94/13/42/527941342.db2.gz KNHHALWZOZVPNW-UHFFFAOYSA-N 0 0 390.505 3.060 40 0 GGABRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCC)c(OCC)c2)C1=O ZINC000409013410 527957236 /nfs/dbraw/zinc/95/72/36/527957236.db2.gz NGSBESYJMDIUGZ-JASJWYONSA-N 0 0 393.461 3.472 40 0 GGABRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCC)c(OC)c2)C1=O ZINC000409020653 527957340 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CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000408615733 528064439 /nfs/dbraw/zinc/06/44/39/528064439.db2.gz RNEGEBHABGABBG-OAHLLOKOSA-N 0 0 397.450 3.203 40 0 GGABRN CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCCC2)cc1 ZINC000408582585 528065784 /nfs/dbraw/zinc/06/57/84/528065784.db2.gz DKJLSFDSUJVKBC-UHFFFAOYSA-N 0 0 396.553 3.229 40 0 GGABRN CCC[C@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408595217 528066594 /nfs/dbraw/zinc/06/65/94/528066594.db2.gz UIJOVCSBCMFFAE-HOTGVXAUSA-N 0 0 396.553 3.370 40 0 GGABRN CC(C)COC(=O)CN1C(=O)S/C(=C/c2cc3ccccc3oc2=O)C1=O ZINC000409202036 528069289 /nfs/dbraw/zinc/06/92/89/528069289.db2.gz OADKCCCMGGOYEV-OVCLIPMQSA-N 0 0 387.413 3.029 40 0 GGABRN CCCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)COc2ccc(OC)cc2)N1 ZINC000409345528 528114142 /nfs/dbraw/zinc/11/41/42/528114142.db2.gz LXUGGTHDZCHCBE-KRWDZBQOSA-N 0 0 388.386 3.494 40 0 GGABRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(O)cc3)C(=O)[C@H]2C1 ZINC000408687038 528123480 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ZQMCZLFWTFIWIY-OAHLLOKOSA-N 0 0 390.505 3.263 40 0 GGABRN CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)NC(C)C ZINC000408700457 528407069 /nfs/dbraw/zinc/40/70/69/528407069.db2.gz GIXNLELXLDRBOV-UHFFFAOYSA-N 0 0 380.441 3.163 40 0 GGABRN CCOc1ccc(C(=O)Nc2ccccc2F)cc1S(=O)(=O)N1CCCC1 ZINC000408697109 528408034 /nfs/dbraw/zinc/40/80/34/528408034.db2.gz HMGDVNUHVYSFLM-UHFFFAOYSA-N 0 0 392.452 3.261 40 0 GGABRN CCC(=O)Nc1cc(S(=O)(=O)N[C@H](C)CCc2ccccc2)ccc1OC ZINC000408698907 528424663 /nfs/dbraw/zinc/42/46/63/528424663.db2.gz STEYYRXUPIJSDD-OAHLLOKOSA-N 0 0 390.505 3.343 40 0 GGABRN CCCNC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000409132227 528434221 /nfs/dbraw/zinc/43/42/21/528434221.db2.gz WYXDBGTTYPCFSV-HNNXBMFYSA-N 0 0 376.478 3.160 40 0 GGABRN CCCNC(=O)c1cc(S(=O)(=O)N[C@H](C)CCc2ccccc2)ccc1C ZINC000408609327 528443706 /nfs/dbraw/zinc/44/37/06/528443706.db2.gz SOPHFTBLEUJNAE-QGZVFWFLSA-N 0 0 388.533 3.434 40 0 GGABRN CCC(=O)Oc1ccc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)cc1OC ZINC000409193288 528445845 /nfs/dbraw/zinc/44/58/45/528445845.db2.gz IKJIOJLKTGSPGO-RIYZIHGNSA-N 0 0 395.367 3.084 40 0 GGABRN CCCCNC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000409060983 528503246 /nfs/dbraw/zinc/50/32/46/528503246.db2.gz BABJLGYYSYHRPN-UHFFFAOYSA-N 0 0 388.533 3.411 40 0 GGABRN CCCCNC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000409061047 528503368 /nfs/dbraw/zinc/50/33/68/528503368.db2.gz ZSTODLFJLQQYNR-UHFFFAOYSA-N 0 0 394.924 3.447 40 0 GGABRN CCCCNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000409141675 528504308 /nfs/dbraw/zinc/50/43/08/528504308.db2.gz IMOVTILTDFSHFR-UHFFFAOYSA-N 0 0 378.469 3.246 40 0 GGABRN CCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000409112313 528504711 /nfs/dbraw/zinc/50/47/11/528504711.db2.gz FUHDSZOTFZIGNK-UHFFFAOYSA-N 0 0 390.505 3.197 40 0 GGABRN CCCCNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000113934676 528505213 /nfs/dbraw/zinc/50/52/13/528505213.db2.gz GNTLHVPIYNGJKA-UHFFFAOYSA-N 0 0 376.478 3.161 40 0 GGABRN CCCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2CC)ccc1OC ZINC000009063874 528530714 /nfs/dbraw/zinc/53/07/14/528530714.db2.gz GRRPKKRKBCZCBL-UHFFFAOYSA-N 0 0 376.478 3.198 40 0 GGABRN CCCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000408553005 528532093 /nfs/dbraw/zinc/53/20/93/528532093.db2.gz UDKWDYZBSKWWCY-UHFFFAOYSA-N 0 0 382.869 3.289 40 0 GGABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C)c2)c(C)c1 ZINC000408618985 528532892 /nfs/dbraw/zinc/53/28/92/528532892.db2.gz HJCHPSMGDBLNTF-UHFFFAOYSA-N 0 0 376.478 3.009 40 0 GGABRN CCCNS(=O)(=O)c1ccc(OCC)c(NC(=O)c2ccccc2F)c1 ZINC000408558864 528533186 /nfs/dbraw/zinc/53/31/86/528533186.db2.gz UEDXHVBBFNKIOK-UHFFFAOYSA-N 0 0 380.441 3.165 40 0 GGABRN CCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000020766648 528533514 /nfs/dbraw/zinc/53/35/14/528533514.db2.gz YGPJVSNMMXKUIS-UHFFFAOYSA-N 0 0 376.453 3.107 40 0 GGABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000408526220 528554320 /nfs/dbraw/zinc/55/43/20/528554320.db2.gz ABNNIMRANBYTRG-UHFFFAOYSA-N 0 0 396.896 3.436 40 0 GGABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C)c2)cc1 ZINC000408534017 528554546 /nfs/dbraw/zinc/55/45/46/528554546.db2.gz SBDARGIESWSSLT-UHFFFAOYSA-N 0 0 376.478 3.091 40 0 GGABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000408535796 528554582 /nfs/dbraw/zinc/55/45/82/528554582.db2.gz WMLBKRRXOOOFNU-UHFFFAOYSA-N 0 0 390.505 3.399 40 0 GGABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCCC2)cc1 ZINC000408584420 528554705 /nfs/dbraw/zinc/55/47/05/528554705.db2.gz PNRIRLVFYZTBPY-UHFFFAOYSA-N 0 0 396.553 3.373 40 0 GGABRN CCCCOC(=O)CN1C(=O)S/C(=C/c2cc(OC)ccc2OC)C1=O ZINC000409213216 528560506 /nfs/dbraw/zinc/56/05/06/528560506.db2.gz RPKJDDKQPDFRQF-XNTDXEJSSA-N 0 0 379.434 3.083 40 0 GGABRN CCCCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059211422 528564990 /nfs/dbraw/zinc/56/49/90/528564990.db2.gz GQGDGEBULWSRJW-UHFFFAOYSA-N 0 0 389.473 3.364 40 0 GGABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)C2CCCCC2)cc1 ZINC000408624371 528573724 /nfs/dbraw/zinc/57/37/24/528573724.db2.gz SVQCUPWATJSNIW-UHFFFAOYSA-N 0 0 396.553 3.323 40 0 GGABRN CCOc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000034860308 528577365 /nfs/dbraw/zinc/57/73/65/528577365.db2.gz AGOFRPJEZDFRAC-RMKNXTFCSA-N 0 0 386.517 3.105 40 0 GGABRN CCCOC(=O)c1cc(NC(=O)CSc2nccc(=O)[nH]2)ccc1Cl ZINC000408544407 528579234 /nfs/dbraw/zinc/57/92/34/528579234.db2.gz IMSFKTJSROQLNT-UHFFFAOYSA-N 0 0 381.841 3.133 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2C)cc1C ZINC000408606060 528583182 /nfs/dbraw/zinc/58/31/82/528583182.db2.gz LGUILECUGKARIP-HNNXBMFYSA-N 0 0 376.478 3.008 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1 ZINC000408594363 528583857 /nfs/dbraw/zinc/58/38/57/528583857.db2.gz OSRDNJVFZJLQKC-HNNXBMFYSA-N 0 0 376.478 3.008 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2Cl)cc1C ZINC000408603273 528584876 /nfs/dbraw/zinc/58/48/76/528584876.db2.gz GBXFIYQHZFWMSU-ZDUSSCGKSA-N 0 0 396.896 3.353 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000408592914 528585402 /nfs/dbraw/zinc/58/54/02/528585402.db2.gz KTTTXHUTZICNNK-CYBMUJFWSA-N 0 0 396.896 3.353 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(C)cc(C)c2)cc1C ZINC000408611868 528585410 /nfs/dbraw/zinc/58/54/10/528585410.db2.gz XEQHFLQPMDKCCI-MRXNPFEDSA-N 0 0 390.505 3.316 40 0 GGABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C)cc2C)cc1C ZINC000408602573 528585513 /nfs/dbraw/zinc/58/55/13/528585513.db2.gz DSZRHUQNRKVHQP-MRXNPFEDSA-N 0 0 390.505 3.316 40 0 GGABRN CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)N(CC)CC)cc1OCC ZINC000408603072 528603195 /nfs/dbraw/zinc/60/31/95/528603195.db2.gz ANCZQGKIJIPLMJ-SFHVURJKSA-N 0 0 391.537 3.145 40 0 GGABRN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OCC)c(Br)c1 ZINC000408602311 528617215 /nfs/dbraw/zinc/61/72/15/528617215.db2.gz BQFMELOUNRYJDZ-CQSZACIVSA-N 0 0 399.310 3.204 40 0 GGABRN CCOCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000409411715 528688675 /nfs/dbraw/zinc/68/86/75/528688675.db2.gz KJPRKAMTYPMDQF-UHFFFAOYSA-N 0 0 390.505 3.261 40 0 GGABRN CC(C)Cn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccncc1 ZINC000409097330 528695118 /nfs/dbraw/zinc/69/51/18/528695118.db2.gz GJQCMWHQFNPLBB-UHFFFAOYSA-N 0 0 381.505 3.405 40 0 GGABRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(OCC)c(OC)cc2Cl)C1=O ZINC000409044831 528807352 /nfs/dbraw/zinc/80/73/52/528807352.db2.gz CSAJDUQWKNHLQM-VGOFMYFVSA-N 0 0 399.852 3.347 40 0 GGABRN CCC[C@@H](C)NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000013584821 528893614 /nfs/dbraw/zinc/89/36/14/528893614.db2.gz GVDNDFVIUNWCTO-MRXNPFEDSA-N 0 0 390.505 3.195 40 0 GGABRN CCC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)c(C)c2)CC1 ZINC000408559788 528894460 /nfs/dbraw/zinc/89/44/60/528894460.db2.gz YWOLFYDPOBPKBK-MRXNPFEDSA-N 0 0 396.553 3.099 40 0 GGABRN CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000409391517 528894703 /nfs/dbraw/zinc/89/47/03/528894703.db2.gz OCCHSQHRLRLORK-CQSZACIVSA-N 0 0 394.468 3.310 40 0 GGABRN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC)c(C)c2)C1 ZINC000408557857 528897293 /nfs/dbraw/zinc/89/72/93/528897293.db2.gz OGWWNPVCEIFPMF-IAGOWNOFSA-N 0 0 396.553 3.099 40 0 GGABRN CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000408707707 528908509 /nfs/dbraw/zinc/90/85/09/528908509.db2.gz CKOGXBQYFQKGCC-INIZCTEOSA-N 0 0 399.491 3.481 40 0 GGABRN CCN(c1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1)S(=O)(=O)CC ZINC000113971460 528931307 /nfs/dbraw/zinc/93/13/07/528931307.db2.gz SWNXMAGXVPSLDS-CQSZACIVSA-N 0 0 378.469 3.493 40 0 GGABRN CC(C)N1C(=O)S/C(=C\c2ccc(O)c(I)c2)C1=O ZINC000408961390 528980337 /nfs/dbraw/zinc/98/03/37/528980337.db2.gz BWTFVNXEWSQDCE-WDZFZDKYSA-N 0 0 389.214 3.442 40 0 GGABRN CCOC(=O)Nc1cc(S(=O)(=O)NCc2ccc(C)cc2)ccc1OC ZINC000408585012 529106226 /nfs/dbraw/zinc/10/62/26/529106226.db2.gz AJAXMXGVAJSQIM-UHFFFAOYSA-N 0 0 378.450 3.051 40 0 GGABRN CCOC(=O)Nc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC ZINC000408588079 529106322 /nfs/dbraw/zinc/10/63/22/529106322.db2.gz XJDIBHOJFGYLJC-UHFFFAOYSA-N 0 0 376.434 3.015 40 0 GGABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)ccc1OC ZINC000408585398 529107034 /nfs/dbraw/zinc/10/70/34/529107034.db2.gz GIBVXEDTXCNYSK-UHFFFAOYSA-N 0 0 386.376 3.343 40 0 GGABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2cccc(OC)c2)ccc1OC ZINC000408585050 529107319 /nfs/dbraw/zinc/10/73/19/529107319.db2.gz BFZNWCMSDGAROB-UHFFFAOYSA-N 0 0 380.422 3.073 40 0 GGABRN CCOC(=O)Nc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)ccc1OC ZINC000408586782 529107572 /nfs/dbraw/zinc/10/75/72/529107572.db2.gz QTQAFGPYWJXVAB-ZDUSSCGKSA-N 0 0 378.450 3.303 40 0 GGABRN CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1C ZINC000409383413 529160008 /nfs/dbraw/zinc/16/00/08/529160008.db2.gz USBDTGSGNXDQHB-INIZCTEOSA-N 0 0 390.505 3.398 40 0 GGABRN CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 ZINC000409126160 529160278 /nfs/dbraw/zinc/16/02/78/529160278.db2.gz AVOPFGJAFFFNHR-JKSUJKDBSA-N 0 0 390.505 3.020 40 0 GGABRN CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl ZINC000408586821 529160287 /nfs/dbraw/zinc/16/02/87/529160287.db2.gz CARCSJIPACSCRG-ZDUSSCGKSA-N 0 0 396.896 3.434 40 0 GGABRN CC[C@H](C)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2F)c1 ZINC000408553313 529181179 /nfs/dbraw/zinc/18/11/79/529181179.db2.gz UXUNNIXPWSWETD-LBPRGKRZSA-N 0 0 380.441 3.163 40 0 GGABRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(OC)ccc2OC)C1=O ZINC000409211464 529183634 /nfs/dbraw/zinc/18/36/34/529183634.db2.gz JJTYFMVEEIQYPR-ZRRZQRFHSA-N 0 0 379.434 3.082 40 0 GGABRN CCS[C@@]12c3ccccc3[C@@H]([C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]31)N2C ZINC000245319113 529222205 /nfs/dbraw/zinc/22/22/05/529222205.db2.gz ZHXFWAUNAFIGKO-GHDARCQNSA-N 0 0 394.496 3.407 40 0 GGABRN CC[C@@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1cc(C)ccc1OC ZINC000409387429 529361472 /nfs/dbraw/zinc/36/14/72/529361472.db2.gz AXYWJQSRXAQSBK-MRXNPFEDSA-N 0 0 390.505 3.114 40 0 GGABRN CC[C@@H](C)NC(=O)CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O ZINC000408623258 529363421 /nfs/dbraw/zinc/36/34/21/529363421.db2.gz FAHYAXAREFXHFJ-GFCCVEGCSA-N 0 0 378.881 3.430 40 0 GGABRN CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000409126148 529364031 /nfs/dbraw/zinc/36/40/31/529364031.db2.gz AVOPFGJAFFFNHR-CVEARBPZSA-N 0 0 390.505 3.020 40 0 GGABRN CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl ZINC000408586819 529364432 /nfs/dbraw/zinc/36/44/32/529364432.db2.gz CARCSJIPACSCRG-CYBMUJFWSA-N 0 0 396.896 3.434 40 0 GGABRN COc1ccc(Cl)c2c1N(C(=O)c1ccc(CS(C)(=O)=O)o1)CCC2 ZINC000097542681 536544686 /nfs/dbraw/zinc/54/46/86/536544686.db2.gz DEINXOQOCLWCPK-UHFFFAOYSA-N 0 0 383.853 3.079 40 0 GGABRN CC(C)CSc1nnc(NC(=O)c2ccc(N3CCOCC3)cc2)s1 ZINC000223541017 535257396 /nfs/dbraw/zinc/25/73/96/535257396.db2.gz YCTCLHVWIWGROY-UHFFFAOYSA-N 0 0 378.523 3.375 40 0 GGABRN CC1CCN(c2ccc(NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)CC1 ZINC000102901635 535286141 /nfs/dbraw/zinc/28/61/41/535286141.db2.gz OSIVCDOFLLXEJD-WOJBJXKFSA-N 0 0 395.503 3.203 40 0 GGABRN CC(C)c1cc(C(=O)NCc2ccc3c(c2)OCO3)nc(N2CCCCC2)n1 ZINC000096101133 535365979 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/nfs/dbraw/zinc/23/52/55/564235255.db2.gz CALQSMTUHLIROY-UHFFFAOYSA-N 0 0 394.294 3.167 40 0 GGABRN CC(C)NC(=S)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000007585510 564238245 /nfs/dbraw/zinc/23/82/45/564238245.db2.gz JQFRNRCSBYVSQZ-UHFFFAOYSA-N 0 0 377.535 3.202 40 0 GGABRN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCC(=O)N(C)C)cc12 ZINC000007566043 564238282 /nfs/dbraw/zinc/23/82/82/564238282.db2.gz RPAXKJOMCCTRGY-UHFFFAOYSA-N 0 0 377.853 3.294 40 0 GGABRN CC(C)OCCCNC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000007546500 564238342 /nfs/dbraw/zinc/23/83/42/564238342.db2.gz HABVGARDVAMWRU-UHFFFAOYSA-N 0 0 380.539 3.365 40 0 GGABRN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000007608605 564238818 /nfs/dbraw/zinc/23/88/18/564238818.db2.gz YFSPPRMAEVAZLF-AWEZNQCLSA-N 0 0 378.519 3.026 40 0 GGABRN COC[C@H](C)NC(=O)c1cc2c(nc(SC)nc2N2CCCCC2)s1 ZINC000007604229 564239203 /nfs/dbraw/zinc/23/92/03/564239203.db2.gz OCQDAQGTUOWBFI-NSHDSACASA-N 0 0 380.539 3.168 40 0 GGABRN O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000007708145 564239788 /nfs/dbraw/zinc/23/97/88/564239788.db2.gz VZDKDFCNFPLKDS-UHFFFAOYSA-N 0 0 395.278 3.377 40 0 GGABRN CN(CCCNC(=O)COc1ccc(Br)cc1)c1ccccc1 ZINC000007689986 564239960 /nfs/dbraw/zinc/23/99/60/564239960.db2.gz ODZTYHCPKYJDQN-UHFFFAOYSA-N 0 0 377.282 3.471 40 0 GGABRN CC[C@@H](C)NC(=O)NC(=O)CSc1nnc(Nc2ccc(C)cc2)s1 ZINC000007758643 564240741 /nfs/dbraw/zinc/24/07/41/564240741.db2.gz YLLALTHUMVPECZ-LLVKDONJSA-N 0 0 379.511 3.307 40 0 GGABRN Cc1ccccc1CNC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000007872102 564241495 /nfs/dbraw/zinc/24/14/95/564241495.db2.gz DGGNXOUVCCAOID-AWEZNQCLSA-N 0 0 380.897 3.119 40 0 GGABRN CS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc(Br)c3)ccc21 ZINC000007914284 564243058 /nfs/dbraw/zinc/24/30/58/564243058.db2.gz GHWOONVRRUKDSA-UHFFFAOYSA-N 0 0 395.278 3.024 40 0 GGABRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Cl)s3)CC2=O)cc1 ZINC000007986054 564243399 /nfs/dbraw/zinc/24/33/99/564243399.db2.gz 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/nfs/dbraw/zinc/24/61/01/564246101.db2.gz ROADQVKSDHTKLG-UHFFFAOYSA-N 0 0 398.937 3.160 40 0 GGABRN CSc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 ZINC000008169570 564246977 /nfs/dbraw/zinc/24/69/77/564246977.db2.gz WGFMMXCHGSWMKH-PTNGSMBKSA-N 0 0 376.503 3.457 40 0 GGABRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000008224141 564247329 /nfs/dbraw/zinc/24/73/29/564247329.db2.gz ULCGCPQPRDHUEC-SECBINFHSA-N 0 0 391.251 3.438 40 0 GGABRN Cc1ccc2nc(COC(=O)c3ccc(Br)cc3F)cc(=O)n2c1 ZINC000008261023 564248066 /nfs/dbraw/zinc/24/80/66/564248066.db2.gz NCVWYHOQDMPRDQ-UHFFFAOYSA-N 0 0 391.196 3.262 40 0 GGABRN CCOc1cc(CNn2c(CC)n[nH]c2=S)cc(Br)c1OC ZINC000008338997 564249204 /nfs/dbraw/zinc/24/92/04/564249204.db2.gz IRFIRNXMUPOZJC-UHFFFAOYSA-N 0 0 387.303 3.417 40 0 GGABRN Cc1nnc(NC(=O)CCC(=O)O[C@H](C)C(=O)c2cccc(Cl)c2)s1 ZINC000008474408 564249466 /nfs/dbraw/zinc/24/94/66/564249466.db2.gz OSYWBHHAMSIXSC-SECBINFHSA-N 0 0 381.841 3.033 40 0 GGABRN CNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1OC ZINC000008476021 564249605 /nfs/dbraw/zinc/24/96/05/564249605.db2.gz CDURLEIMUPXUSQ-UHFFFAOYSA-N 0 0 389.260 3.162 40 0 GGABRN COc1ccc(CNC(=O)c2ccc(I)cc2)cc1OC ZINC000008487874 564249781 /nfs/dbraw/zinc/24/97/81/564249781.db2.gz KARYLPCEOFODDR-UHFFFAOYSA-N 0 0 397.212 3.238 40 0 GGABRN COc1cc(CNn2c(=S)[nH]nc2-c2ccncc2)cc(Cl)c1OC ZINC000008469890 564249870 /nfs/dbraw/zinc/24/98/70/564249870.db2.gz RINZXXMITVSALI-UHFFFAOYSA-N 0 0 377.857 3.417 40 0 GGABRN CCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1 ZINC000008498720 564249882 /nfs/dbraw/zinc/24/98/82/564249882.db2.gz YTKZQYLYZRJLJT-UHFFFAOYSA-N 0 0 384.567 3.116 40 0 GGABRN CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)ccc1OC ZINC000009063877 564251303 /nfs/dbraw/zinc/25/13/03/564251303.db2.gz LVZJOADYEBJLGH-UHFFFAOYSA-N 0 0 382.869 3.289 40 0 GGABRN O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cc1)NC1CCCCC1 ZINC000010010073 564255101 /nfs/dbraw/zinc/25/51/01/564255101.db2.gz SBCKWKZIIMTVLF-UHFFFAOYSA-N 0 0 382.551 3.012 40 0 GGABRN Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000010127485 564255911 /nfs/dbraw/zinc/25/59/11/564255911.db2.gz FMIHJGLUNYNNBR-LBPRGKRZSA-N 0 0 397.294 3.063 40 0 GGABRN CN(C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000010286230 564256108 /nfs/dbraw/zinc/25/61/08/564256108.db2.gz GCJLOHXENVJXEY-UHFFFAOYSA-N 0 0 387.288 3.422 40 0 GGABRN CNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000010329591 564256864 /nfs/dbraw/zinc/25/68/64/564256864.db2.gz OJSNDUNOGAHMMQ-UHFFFAOYSA-N 0 0 387.288 3.319 40 0 GGABRN Cc1ccc(SCCNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 ZINC000010314179 564257333 /nfs/dbraw/zinc/25/73/33/564257333.db2.gz HVJZUHKWMZUYHQ-UHFFFAOYSA-N 0 0 378.519 3.197 40 0 GGABRN Cc1cccc(CSCCNC(=O)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000010314609 564257357 /nfs/dbraw/zinc/25/73/57/564257357.db2.gz NSTFABCJDWVVLY-UHFFFAOYSA-N 0 0 378.519 3.030 40 0 GGABRN CS(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC000010449160 564257915 /nfs/dbraw/zinc/25/79/15/564257915.db2.gz HKKINZKPXUOCJU-UHFFFAOYSA-N 0 0 399.299 3.349 40 0 GGABRN C[C@H]1CCCN(C(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)C1 ZINC000010541412 564259414 /nfs/dbraw/zinc/25/94/14/564259414.db2.gz MNCVMTQCVONGGC-NSHDSACASA-N 0 0 379.309 3.018 40 0 GGABRN Cc1cc(C)c(C)c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1C ZINC000010560488 564259418 /nfs/dbraw/zinc/25/94/18/564259418.db2.gz LDZLTMHCUGIVJX-UHFFFAOYSA-N 0 0 378.519 3.298 40 0 GGABRN O=C(OCc1ccc(F)cc1Br)c1ccc2c(c1)OCC(=O)N2 ZINC000010678753 564260048 /nfs/dbraw/zinc/26/00/48/564260048.db2.gz VOWLXGKHQKZSHP-UHFFFAOYSA-N 0 0 380.169 3.276 40 0 GGABRN C[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000010967398 564260972 /nfs/dbraw/zinc/26/09/72/564260972.db2.gz RYLNQJGYQRRTBS-STQMWFEESA-N 0 0 381.881 3.388 40 0 GGABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000010967392 564261136 /nfs/dbraw/zinc/26/11/36/564261136.db2.gz RYLNQJGYQRRTBS-QWHCGFSZSA-N 0 0 381.881 3.388 40 0 GGABRN Cc1ccc(S(C)(=O)=O)cc1NCC(=O)Nc1ccc(Br)cc1 ZINC000011010511 564261766 /nfs/dbraw/zinc/26/17/66/564261766.db2.gz DABVYMYPBJIDRB-UHFFFAOYSA-N 0 0 397.294 3.212 40 0 GGABRN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cncc(Br)c1 ZINC000011083325 564262212 /nfs/dbraw/zinc/26/22/12/564262212.db2.gz CLBZJHLUUMIKHT-UHFFFAOYSA-N 0 0 385.265 3.361 40 0 GGABRN CC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCc1ccc(Cl)cc1 ZINC000011613553 564263583 /nfs/dbraw/zinc/26/35/83/564263583.db2.gz VDXAIQXJKXSHAT-AWEZNQCLSA-N 0 0 377.897 3.373 40 0 GGABRN Cc1cc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2c(F)cccc2Cl)no1 ZINC000011550591 564263641 /nfs/dbraw/zinc/26/36/41/564263641.db2.gz GRTHUMXTQCTEAZ-CQSZACIVSA-N 0 0 380.832 3.207 40 0 GGABRN CCn1ccc(C(=O)N2CCN(c3nc4c(cccc4Cl)s3)CC2)n1 ZINC000011738213 564265170 /nfs/dbraw/zinc/26/51/70/564265170.db2.gz WTSVBTXJCXMLLL-UHFFFAOYSA-N 0 0 375.885 3.129 40 0 GGABRN O=C(CN1CCC(O)(c2ccccn2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000012114375 564265921 /nfs/dbraw/zinc/26/59/21/564265921.db2.gz QDSIREMOKKGRTF-UHFFFAOYSA-N 0 0 380.275 3.311 40 0 GGABRN O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1cccc(Br)c1 ZINC000012360245 564267022 /nfs/dbraw/zinc/26/70/22/564267022.db2.gz BXXKQDBEWQIUBN-UHFFFAOYSA-N 0 0 390.262 3.416 40 0 biogenic,in-vitro GGABRN Cc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1Cl ZINC000012199990 564267341 /nfs/dbraw/zinc/26/73/41/564267341.db2.gz SIELQSCXDOHZJL-UHFFFAOYSA-N 0 0 378.837 3.103 40 0 GGABRN O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000012200396 564267372 /nfs/dbraw/zinc/26/73/72/564267372.db2.gz XXKBMFYNQZDJFE-UHFFFAOYSA-N 0 0 399.255 3.448 40 0 GGABRN O=C(NC1CC1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000012526412 564268223 /nfs/dbraw/zinc/26/82/23/564268223.db2.gz WKRRYZVCKFACAE-UHFFFAOYSA-N 0 0 395.278 3.142 40 0 GGABRN CCC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000012729497 564270191 /nfs/dbraw/zinc/27/01/91/564270191.db2.gz FEDYGOKRNIYNTR-GFCCVEGCSA-N 0 0 390.908 3.185 40 0 GGABRN CS(=O)(=O)c1ccc(F)c(NC(=O)CSc2ccc(F)cc2F)c1 ZINC000012764757 564270611 /nfs/dbraw/zinc/27/06/11/564270611.db2.gz FXIGQYOCQQHPJP-UHFFFAOYSA-N 0 0 375.393 3.238 40 0 GGABRN Cc1cc(NC(=O)CSCC(=O)Nc2nc3c(cccc3C)s2)no1 ZINC000012869256 564271795 /nfs/dbraw/zinc/27/17/95/564271795.db2.gz NDWPOJBCCKOEFH-UHFFFAOYSA-N 0 0 376.463 3.212 40 0 GGABRN COc1cc(C(=O)NCCc2csc(C)n2)cc(OC)c1Br ZINC000012921234 564272867 /nfs/dbraw/zinc/27/28/67/564272867.db2.gz UQLBLXIPPBIXPB-UHFFFAOYSA-N 0 0 385.283 3.204 40 0 GGABRN Cc1cc(NC(=O)CSCC(=O)N(C)Cc2c(F)cccc2Cl)no1 ZINC000013022877 564273205 /nfs/dbraw/zinc/27/32/05/564273205.db2.gz CHRJRJFSWPBCOY-UHFFFAOYSA-N 0 0 385.848 3.106 40 0 GGABRN COc1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1OC ZINC000013096184 564274556 /nfs/dbraw/zinc/27/45/56/564274556.db2.gz YOPONEKSNODRDM-UHFFFAOYSA-N 0 0 375.368 3.201 40 0 GGABRN C[C@@H]1Cc2ccccc2N1C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013648398 564277136 /nfs/dbraw/zinc/27/71/36/564277136.db2.gz JRAJDQSTNNXBLD-CYBMUJFWSA-N 0 0 378.881 3.084 40 0 GGABRN CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2nc(C(C)(C)C)cs2)c1 ZINC000014085549 564279513 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COc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1Cl ZINC000032588844 564402597 /nfs/dbraw/zinc/40/25/97/564402597.db2.gz WTVKZJGVRNELDE-UHFFFAOYSA-N 0 0 380.853 3.276 40 0 GGABRN O=S1(=O)C[C@@H]2N=C(SCc3cccc(F)c3)N(c3ccccc3)[C@H]2C1 ZINC000032639842 564402979 /nfs/dbraw/zinc/40/29/79/564402979.db2.gz WLASBISQQBIGIZ-IRXDYDNUSA-N 0 0 376.478 3.101 40 0 GGABRN C[C@@H](OC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)c1ccc(Cl)cc1 ZINC000032603837 564403682 /nfs/dbraw/zinc/40/36/82/564403682.db2.gz GYZDULJCGDPNEQ-LLVKDONJSA-N 0 0 381.837 3.140 40 0 GGABRN C[C@H](OC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)c1ccc(Cl)cc1 ZINC000032603839 564403805 /nfs/dbraw/zinc/40/38/05/564403805.db2.gz GYZDULJCGDPNEQ-NSHDSACASA-N 0 0 381.837 3.140 40 0 GGABRN CC(C)CN(C(=O)c1cc(Cl)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000032666201 564404615 /nfs/dbraw/zinc/40/46/15/564404615.db2.gz LEHBPBGRLLBWPJ-CYBMUJFWSA-N 0 0 380.897 3.174 40 0 GGABRN C[C@H](NC(=O)c1cc2ccc(F)cc2s1)c1ccc(S(N)(=O)=O)cc1 ZINC000032739280 564405224 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C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC1CCCCCC1 ZINC000033850380 564414033 /nfs/dbraw/zinc/41/40/33/564414033.db2.gz HMGADDWJOGTEFQ-NSHDSACASA-N 0 0 393.336 3.499 40 0 GGABRN Cc1csc(SCc2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)n1 ZINC000036226579 564416956 /nfs/dbraw/zinc/41/69/56/564416956.db2.gz HOQHGFRJLVUCHY-UHFFFAOYSA-N 0 0 375.519 3.081 40 0 GGABRN O=C(Nc1nc(S(=O)(=O)Cc2ccc(Cl)cc2)ns1)c1ccco1 ZINC000036626373 564417283 /nfs/dbraw/zinc/41/72/83/564417283.db2.gz IALXGWYNRPNYLH-UHFFFAOYSA-N 0 0 383.838 3.011 40 0 GGABRN COc1cccc(N[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000036635836 564418540 /nfs/dbraw/zinc/41/85/40/564418540.db2.gz DXVSUTNXPGBXED-HNNXBMFYSA-N 0 0 375.222 3.202 40 0 GGABRN Cc1nc(CSc2nc(=O)n(C[C@H]3CCCO3)c3c2CCCC3)cs1 ZINC000036685785 564418638 /nfs/dbraw/zinc/41/86/38/564418638.db2.gz WWDZNGKVOWILMJ-CQSZACIVSA-N 0 0 377.535 3.358 40 0 GGABRN O=C(CCn1nnc(-c2ccc(Cl)cc2)n1)NCc1ccccc1Cl ZINC000040025034 564424878 /nfs/dbraw/zinc/42/48/78/564424878.db2.gz FCWWGPBAOCSMTA-UHFFFAOYSA-N 0 0 376.247 3.353 40 0 GGABRN O=C(/C=C/c1ccc(Br)cc1)NCc1nnc2n1CCCCC2 ZINC000040043340 564425234 /nfs/dbraw/zinc/42/52/34/564425234.db2.gz VXAVTUIWXJYJDL-JXMROGBWSA-N 0 0 375.270 3.097 40 0 GGABRN O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cncc(Br)c1 ZINC000040072049 564425288 /nfs/dbraw/zinc/42/52/88/564425288.db2.gz PHQKOEXCATVCBD-HNNXBMFYSA-N 0 0 390.237 3.214 40 0 GGABRN CC(C)COc1ccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1Cl ZINC000040072372 564425451 /nfs/dbraw/zinc/42/54/51/564425451.db2.gz YGFYROYJHBLRPR-UHFFFAOYSA-N 0 0 382.869 3.275 40 0 GGABRN C[C@@H](NC(=O)Nc1ccc(-n2cnnn2)cc1)c1cccc(Br)c1 ZINC000040103617 564426053 /nfs/dbraw/zinc/42/60/53/564426053.db2.gz QYEUQXVGTTZMIY-LLVKDONJSA-N 0 0 387.241 3.308 40 0 GGABRN C[C@H](NC(=O)c1ccc(Br)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000040090012 564426323 /nfs/dbraw/zinc/42/63/23/564426323.db2.gz PBHUEASVDRKSPA-NSHDSACASA-N 0 0 397.294 3.312 40 0 GGABRN COc1ccc(Cl)cc1CS(=O)(=O)CC(=O)N[C@@H](C)CCC(C)C ZINC000040106172 564426407 /nfs/dbraw/zinc/42/64/07/564426407.db2.gz BSXZDZYOIOXSRO-ZDUSSCGKSA-N 0 0 375.918 3.204 40 0 GGABRN Cc1cc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)ccc1F ZINC000041154024 564430039 /nfs/dbraw/zinc/43/00/39/564430039.db2.gz DNSDTJHQFFNLLL-UHFFFAOYSA-N 0 0 381.816 3.316 40 0 GGABRN Cc1ccc(CS(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000041154204 564430117 /nfs/dbraw/zinc/43/01/17/564430117.db2.gz IGECJSKDRBYXKS-UHFFFAOYSA-N 0 0 377.853 3.318 40 0 GGABRN O=C(c1ccc(Br)cc1)N1CCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000123233589 564443045 /nfs/dbraw/zinc/44/30/45/564443045.db2.gz RYSJYRVYSFGMDV-UHFFFAOYSA-N 0 0 399.292 3.283 40 0 GGABRN COc1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2Br)cc1 ZINC000042646405 564448733 /nfs/dbraw/zinc/44/87/33/564448733.db2.gz FSTMHFOABBHXEY-UHFFFAOYSA-N 0 0 377.238 3.021 40 0 GGABRN O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1cccc(Br)c1 ZINC000042645814 564448836 /nfs/dbraw/zinc/44/88/36/564448836.db2.gz JJFOJWLCYZLBCJ-UHFFFAOYSA-N 0 0 381.657 3.400 40 0 GGABRN COc1cccc(CNC(=O)C(=O)Nc2ccc(Br)cc2C)c1 ZINC000042646255 564449071 /nfs/dbraw/zinc/44/90/71/564449071.db2.gz OQNLLKZTKUEVDF-UHFFFAOYSA-N 0 0 377.238 3.021 40 0 GGABRN Cc1cc(NC(=O)C(=O)NCCCc2ccccc2)ccc1Br ZINC000042646186 564449205 /nfs/dbraw/zinc/44/92/05/564449205.db2.gz AWRLZWZPPNNEDC-UHFFFAOYSA-N 0 0 375.266 3.445 40 0 GGABRN CC(C)(C)CC(C)(C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000042705432 564449946 /nfs/dbraw/zinc/44/99/46/564449946.db2.gz ZIIQXGYJYRBSLC-AWEZNQCLSA-N 0 0 386.583 3.480 40 0 GGABRN CCN(Cc1cccs1)C(=O)Cc1c(C)nc2nc(SC)nn2c1C ZINC000043764993 564461920 /nfs/dbraw/zinc/46/19/20/564461920.db2.gz KOTVDUWORYWJTP-UHFFFAOYSA-N 0 0 375.523 3.116 40 0 GGABRN Cc1cc(Br)cc(C)c1NC(=S)NCCCN1CCOCC1 ZINC000044195181 564464700 /nfs/dbraw/zinc/46/47/00/564464700.db2.gz HEBVDOYPGXWVCV-UHFFFAOYSA-N 0 0 386.359 3.075 40 0 GGABRN COc1cccc([C@@H](CNS(=O)(=O)c2ccc(F)cc2Cl)N(C)C)c1 ZINC000044301533 564466215 /nfs/dbraw/zinc/46/62/15/564466215.db2.gz SQPAWWJVOQEUKH-MRXNPFEDSA-N 0 0 386.876 3.069 40 0 GGABRN COC(=O)C1(NC(=O)CCCOc2cccc(Br)c2)CCCC1 ZINC000044841144 564473853 /nfs/dbraw/zinc/47/38/53/564473853.db2.gz UNGIXICEVXIQDT-UHFFFAOYSA-N 0 0 384.270 3.210 40 0 GGABRN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl ZINC000044885290 564475066 /nfs/dbraw/zinc/47/50/66/564475066.db2.gz YNJJQNSELAKDOO-ZDUSSCGKSA-N 0 0 380.897 3.463 40 0 GGABRN Cc1cc(C(=O)CSc2ccc(C)cn2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000045025538 564477317 /nfs/dbraw/zinc/47/73/17/564477317.db2.gz KCSUVWYPBZMSIS-OAHLLOKOSA-N 0 0 378.519 3.143 40 0 GGABRN C[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000045139649 564478001 /nfs/dbraw/zinc/47/80/01/564478001.db2.gz KRLWOMDPAATAQA-QWHCGFSZSA-N 0 0 381.881 3.388 40 0 GGABRN Cn1c2ccc(NC(=O)CSCc3cccc(Cl)c3)cc2n(C)c1=O ZINC000047081091 564512939 /nfs/dbraw/zinc/51/29/39/564512939.db2.gz KDVKDHDLOGECGG-UHFFFAOYSA-N 0 0 375.881 3.402 40 0 GGABRN O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc(Br)cc1 ZINC000047276365 564516912 /nfs/dbraw/zinc/51/69/12/564516912.db2.gz MSSPYAOQTVOPTC-UHFFFAOYSA-N 0 0 389.293 3.211 40 0 GGABRN CC(C)N1CCN(C(=O)c2ccc(Cl)cc2I)CC1 ZINC000047841140 564527090 /nfs/dbraw/zinc/52/70/90/564527090.db2.gz ADJGVUHLYYJUQG-UHFFFAOYSA-N 0 0 392.668 3.111 40 0 GGABRN CCCn1c(=O)[nH]nc1SCc1ccc(OC)c(OC)c1Br ZINC000048366357 564537342 /nfs/dbraw/zinc/53/73/42/564537342.db2.gz HGOVSNXARZRESA-UHFFFAOYSA-N 0 0 388.287 3.053 40 0 GGABRN COc1ccc(NC(=O)CSc2nccc(N3CCCC3)n2)cc1Cl ZINC000049399656 564551048 /nfs/dbraw/zinc/55/10/48/564551048.db2.gz ZSWIJZKAHZHTTC-UHFFFAOYSA-N 0 0 378.885 3.470 40 0 GGABRN CCCS(=O)(=O)N1CCC(C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000049461995 564551636 /nfs/dbraw/zinc/55/16/36/564551636.db2.gz JEPLQOVHGBVVEW-UHFFFAOYSA-N 0 0 393.336 3.061 40 0 GGABRN OCCN(Cc1ccc2c[nH]nc2c1)Cc1cc(Br)ccc1F ZINC000126735661 564560035 /nfs/dbraw/zinc/56/00/35/564560035.db2.gz ISTUQCAKAKEHAK-UHFFFAOYSA-N 0 0 378.245 3.459 40 0 GGABRN COc1ccccc1OC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000052412314 564571722 /nfs/dbraw/zinc/57/17/22/564571722.db2.gz HHKKUNVKRYZLID-GFCCVEGCSA-N 0 0 390.233 3.416 40 0 GGABRN CC(C)COCCCNC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000054001107 564598216 /nfs/dbraw/zinc/59/82/16/564598216.db2.gz WJXPSBBWOTWAPQ-UHFFFAOYSA-N 0 0 387.274 3.405 40 0 GGABRN O=C(CN1C(=O)C(=O)c2cc(Br)ccc21)Nc1ccc(Cl)cc1 ZINC000054201835 564600700 /nfs/dbraw/zinc/60/07/00/564600700.db2.gz BFKLQXTXOSCEPB-UHFFFAOYSA-N 0 0 393.624 3.271 40 0 GGABRN O=S(=O)(NC[C@H]1CCCO1)c1cc(Cl)c(Br)cc1Cl ZINC000054363475 564603161 /nfs/dbraw/zinc/60/31/61/564603161.db2.gz JSMBFSMQOFSIDI-SSDOTTSWSA-N 0 0 389.098 3.213 40 0 GGABRN CN(CC(=O)N[C@H]1CCc2c1cccc2F)C(=O)c1ccc(Br)o1 ZINC000055683865 564629633 /nfs/dbraw/zinc/62/96/33/564629633.db2.gz BFQXGSREYCGVBO-ZDUSSCGKSA-N 0 0 395.228 3.057 40 0 GGABRN CN(C)S(=O)(=O)c1cc(C(=O)N2CCSc3ccccc32)ccc1Cl ZINC000057337860 564665842 /nfs/dbraw/zinc/66/58/42/564665842.db2.gz UAOJLCDCCGJYJN-UHFFFAOYSA-N 0 0 396.921 3.343 40 0 GGABRN COc1ccc(Br)cc1S(=O)(=O)NCCCOC1CCCC1 ZINC000057926005 564676837 /nfs/dbraw/zinc/67/68/37/564676837.db2.gz QZCZQBZEQOPERK-UHFFFAOYSA-N 0 0 392.315 3.085 40 0 GGABRN COC(=O)C[C@@H]1CCCCN1Cn1nc2sc3ccccc3n2c1=S ZINC000057995718 564678077 /nfs/dbraw/zinc/67/80/77/564678077.db2.gz USHODHVWVYFTNC-LBPRGKRZSA-N 0 0 376.507 3.455 40 0 GGABRN COC(=O)C[C@H]1CCCCN1Cn1nc2sc3ccccc3n2c1=S ZINC000057995721 564678424 /nfs/dbraw/zinc/67/84/24/564678424.db2.gz USHODHVWVYFTNC-GFCCVEGCSA-N 0 0 376.507 3.455 40 0 GGABRN Cc1cc(NC(=O)CCn2ncc(=O)c3ccccc32)ccc1Br ZINC000058340655 564682221 /nfs/dbraw/zinc/68/22/21/564682221.db2.gz GPHHUXIDRKGNFF-UHFFFAOYSA-N 0 0 386.249 3.496 40 0 GGABRN Cc1ccc(NC(=O)CCn2ncc(=O)c3ccccc32)c(Br)c1 ZINC000058340698 564682513 /nfs/dbraw/zinc/68/25/13/564682513.db2.gz TUVMIHVXDQFQNS-UHFFFAOYSA-N 0 0 386.249 3.496 40 0 GGABRN Cc1cccc(OC[C@@H](O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 ZINC000058614945 564687447 /nfs/dbraw/zinc/68/74/47/564687447.db2.gz SKZUPOLDXQQNGN-ZDUSSCGKSA-N 0 0 379.243 3.452 40 0 GGABRN CN(Cc1c(F)cccc1Cl)C(=O)Cn1c(=O)onc1-c1cccs1 ZINC000060059058 564694705 /nfs/dbraw/zinc/69/47/05/564694705.db2.gz RCGOLUOOOXBPLD-UHFFFAOYSA-N 0 0 381.816 3.016 40 0 GGABRN O=C(COc1ccc(Br)cc1)NCc1ccc(-n2ccnc2)cc1 ZINC000060129933 564695771 /nfs/dbraw/zinc/69/57/71/564695771.db2.gz LPLVWHNDMCFERJ-UHFFFAOYSA-N 0 0 386.249 3.330 40 0 GGABRN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1csc(C)n1 ZINC000060351355 564696868 /nfs/dbraw/zinc/69/68/68/564696868.db2.gz FQGRIRLJQJYMKF-UHFFFAOYSA-N 0 0 380.369 3.006 40 0 GGABRN CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000064475393 564730465 /nfs/dbraw/zinc/73/04/65/564730465.db2.gz WAJPVSQISPDCSE-UHFFFAOYSA-N 0 0 376.503 3.445 40 0 GGABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000064595783 564732784 /nfs/dbraw/zinc/73/27/84/564732784.db2.gz KDWHDDZTXYCPSB-UHFFFAOYSA-N 0 0 384.910 3.321 40 0 GGABRN CCCn1c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2sc1=O ZINC000064947114 564737564 /nfs/dbraw/zinc/73/75/64/564737564.db2.gz HSYXSSZADZRJNA-UHFFFAOYSA-N 0 0 378.475 3.282 40 0 GGABRN COc1ccc(Cl)cc1NC(=O)N1CCc2nc(NC(C)=O)sc2C1 ZINC000070638398 564849009 /nfs/dbraw/zinc/84/90/09/564849009.db2.gz QQBYFEZGBFBHKK-UHFFFAOYSA-N 0 0 380.857 3.354 40 0 GGABRN CN(Cc1cnn(C(C)(C)C)c1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000136968655 564857494 /nfs/dbraw/zinc/85/74/94/564857494.db2.gz CNEGKOVCAXQKPZ-OAHLLOKOSA-N 0 0 379.302 3.059 40 0 GGABRN C[C@H]1CN(C(=O)c2cc(Br)c(C=O)n2C)C[C@@H](c2ccccc2)O1 ZINC000072289534 564862041 /nfs/dbraw/zinc/86/20/41/564862041.db2.gz TUNHGYLBCYZMHG-SJCJKPOMSA-N 0 0 391.265 3.202 40 0 GGABRN COC(=O)c1cc(N)cc2nc(-c3ccc(I)cc3)oc21 ZINC000073641724 564862664 /nfs/dbraw/zinc/86/26/64/564862664.db2.gz ZMZLESUWWRFYAO-UHFFFAOYSA-N 0 0 394.168 3.468 40 0 GGABRN COc1ccc(Br)c(C(=O)NC[C@](O)(c2ccco2)C2CC2)c1 ZINC000077099464 564863087 /nfs/dbraw/zinc/86/30/87/564863087.db2.gz GJMPDSWLDOCKFH-QGZVFWFLSA-N 0 0 380.238 3.078 40 0 GGABRN C[C@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000137690041 564863811 /nfs/dbraw/zinc/86/38/11/564863811.db2.gz XFOWBCWTTAMLBO-ZDUSSCGKSA-N 0 0 381.494 3.340 40 0 GGABRN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000139465007 564868649 /nfs/dbraw/zinc/86/86/49/564868649.db2.gz ZAHSLULYSZGYDR-ZDUSSCGKSA-N 0 0 380.897 3.463 40 0 GGABRN COc1cc(-c2nnc(-c3ccc(I)cc3)[nH]2)ccc1O ZINC000085384136 564869270 /nfs/dbraw/zinc/86/92/70/564869270.db2.gz QKEVOBVTBTZXNC-UHFFFAOYSA-N 0 0 393.184 3.458 40 0 GGABRN CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(N)c1Br ZINC000095094623 564898712 /nfs/dbraw/zinc/89/87/12/564898712.db2.gz ZTVLLBOHMAIZOS-UHFFFAOYSA-N 0 0 378.148 3.413 40 0 GGABRN CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)CCc2ccc(F)c(Cl)c2)C1 ZINC000096120095 564900920 /nfs/dbraw/zinc/90/09/20/564900920.db2.gz RXSRMKGJLUSHPZ-CYBMUJFWSA-N 0 0 375.893 3.226 40 0 GGABRN CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccccc2Br)CC1 ZINC000096374593 564901333 /nfs/dbraw/zinc/90/13/33/564901333.db2.gz SKPDAHPMSRHFFV-UHFFFAOYSA-N 0 0 388.327 3.125 40 0 GGABRN Cc1noc(C)c1CC(=O)N1CCC(Oc2ncccc2Br)CC1 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O=C(/C=C/c1ccco1)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1 ZINC000020529123 570262718 /nfs/dbraw/zinc/26/27/18/570262718.db2.gz JDLIHXQUOZLIKG-BQYQJAHWSA-N 0 0 393.365 3.142 40 0 GGABRN Cn1nccc1/C=C/C(=O)N1CCC[C@@H](c2csc(Nc3ccccn3)n2)C1 ZINC000585292873 570262855 /nfs/dbraw/zinc/26/28/55/570262855.db2.gz TVAXGPUCRUKXRF-MVGZEHJDSA-N 0 0 394.504 3.435 40 0 GGABRN O=C(C=Cc1ccccc1)N1CCC[C@H](c2cnc(Nc3ccccn3)cn2)C1 ZINC000585292863 570262863 /nfs/dbraw/zinc/26/28/63/570262863.db2.gz SZBYBLWPXAUGOZ-CVTTXWKISA-N 0 0 385.471 3.457 40 0 GGABRN O=C(CN1CCC(c2nnc(-c3ccco3)o2)CC1)N1CCc2ccccc21 ZINC000049372030 570263100 /nfs/dbraw/zinc/26/31/00/570263100.db2.gz FKSVNESSDZZCHE-UHFFFAOYSA-N 0 0 378.432 3.098 40 0 GGABRN Cc1nn(C)c2nc(C)cc(C(=O)NCc3cc4ccc(C)cc4[nH]c3=O)c12 ZINC000585294481 570263835 /nfs/dbraw/zinc/26/38/35/570263835.db2.gz GNAKUNAYKRDHIA-UHFFFAOYSA-N 0 0 375.432 3.077 40 0 GGABRN O=c1c2snc(-c3ccccn3)c2n(Cc2cccc(F)c2)c(=O)n1C1CC1 ZINC000049409979 570265816 /nfs/dbraw/zinc/26/58/16/570265816.db2.gz ABEHXDXZJYFWAZ-UHFFFAOYSA-N 0 0 394.431 3.204 40 0 GGABRN COc1cc(OC)cc(-c2nc(-c3cn(Cc4ccc(C)cc4)nn3)no2)c1 ZINC000049410153 570266119 /nfs/dbraw/zinc/26/61/19/570266119.db2.gz MCIBOXCNSHTJHQ-UHFFFAOYSA-N 0 0 377.404 3.369 40 0 GGABRN CC(C)(C)c1csc(CN2CCN(CC(=O)NC3CCCCC3)CC2)n1 ZINC000022630538 570270337 /nfs/dbraw/zinc/27/03/37/570270337.db2.gz ZUGPKOGXDKFAKF-UHFFFAOYSA-N 0 0 378.586 3.007 40 0 GGABRN CN(C(=O)CN1CCN(Cc2nc(C(C)(C)C)cs2)CC1)c1ccccc1 ZINC000022630588 570270560 /nfs/dbraw/zinc/27/05/60/570270560.db2.gz HTWMUWNGWBFVHT-UHFFFAOYSA-N 0 0 386.565 3.221 40 0 GGABRN CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000005875709 570274128 /nfs/dbraw/zinc/27/41/28/570274128.db2.gz SGGWSUVPUUIBIT-SGMGOOAPSA-N 0 0 399.274 3.357 40 0 GGABRN Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000012236491 570276562 /nfs/dbraw/zinc/27/65/62/570276562.db2.gz FZZAIFADYXFWFV-JTQLQIEISA-N 0 0 387.358 3.385 40 0 GGABRN C[C@@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)NC(=O)NC1CCCCC1 ZINC000006558459 570277115 /nfs/dbraw/zinc/27/71/15/570277115.db2.gz XZTDODKTAAZOCF-SZGUKTLCSA-N 0 0 395.459 3.338 40 0 GGABRN CC1(C)CN(C(=O)NCc2nccn2CC(F)(F)F)CCc2ccccc21 ZINC000663958671 570279877 /nfs/dbraw/zinc/27/98/77/570279877.db2.gz FJYRPGUFLMVTQQ-UHFFFAOYSA-N 0 0 380.414 3.491 40 0 GGABRN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCc1ccc2c(c1)OCO2 ZINC000024700696 570279929 /nfs/dbraw/zinc/27/99/29/570279929.db2.gz DSKWCAMGXSYJPT-OAHLLOKOSA-N 0 0 378.432 3.148 40 0 GGABRN Cc1cc2ccccc2n1CC(=O)N1CCC(C(=O)Nc2ccncc2)CC1 ZINC000024702579 570280046 /nfs/dbraw/zinc/28/00/46/570280046.db2.gz FBCBMBKQMQNYNJ-UHFFFAOYSA-N 0 0 376.460 3.222 40 0 GGABRN CCOc1ccc(CN2CCN(S(=O)(=O)c3cc(C)sc3C)CC2)cc1 ZINC000024712786 570280826 /nfs/dbraw/zinc/28/08/26/570280826.db2.gz BTMOBQRVHWXFKC-UHFFFAOYSA-N 0 0 394.562 3.270 40 0 GGABRN Cc1cn2c(/C=C/C(=O)N3CCN(Cc4ccccc4)CC3)c(C)nc2s1 ZINC000024713687 570280938 /nfs/dbraw/zinc/28/09/38/570280938.db2.gz NLEUQKJCJIYOAP-CMDGGOBGSA-N 0 0 380.517 3.370 40 0 GGABRN O=c1c2cnn(-c3ccccc3)c2n(Cc2ccccc2)c(=O)n1-c1ccccc1 ZINC000020799790 570281019 /nfs/dbraw/zinc/28/10/19/570281019.db2.gz OPHGZEWUUYUNNG-UHFFFAOYSA-N 0 0 394.434 3.386 40 0 GGABRN COc1ccccc1-c1noc(CN2CCC(C(=O)N3CCCCCC3)CC2)n1 ZINC000014019687 570281503 /nfs/dbraw/zinc/28/15/03/570281503.db2.gz OLIGWXUNQPZGNV-UHFFFAOYSA-N 0 0 398.507 3.360 40 0 GGABRN O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)NCc3ccco3)ccc21 ZINC000020765586 570282893 /nfs/dbraw/zinc/28/28/93/570282893.db2.gz DWMOTLFPEBSISJ-UHFFFAOYSA-N 0 0 396.468 3.351 40 0 GGABRN NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000010706791 570284679 /nfs/dbraw/zinc/28/46/79/570284679.db2.gz KQBDEGPJUNUGPJ-UHFFFAOYSA-N 0 0 386.517 3.453 40 0 GGABRN Cc1ccc(C)c(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccccc2)c1 ZINC000000656536 570284938 /nfs/dbraw/zinc/28/49/38/570284938.db2.gz XDLPPNJGISKJFI-UHFFFAOYSA-N 0 0 398.484 3.408 40 0 GGABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1[C@H]1CC=CCC1 ZINC000020802374 570287181 /nfs/dbraw/zinc/28/71/81/570287181.db2.gz TZENWCQQPGGTGF-ZYSHUDEJSA-N 0 0 397.475 3.106 40 0 GGABRN Cc1cc(C)n2c(nnc2S[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)n1 ZINC000102242779 570287783 /nfs/dbraw/zinc/28/77/83/570287783.db2.gz KXXAKUYIKSXKSP-INIZCTEOSA-N 0 0 395.488 3.289 40 0 GGABRN COc1ccc(NC(=O)CSCC(=O)Nc2nnc(CC(C)C)s2)cc1 ZINC000012900222 570287929 /nfs/dbraw/zinc/28/79/29/570287929.db2.gz VXGIISQTJNNGDW-UHFFFAOYSA-N 0 0 394.522 3.056 40 0 GGABRN C/C=C/C=C/C(=O)OCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC000020852327 570288065 /nfs/dbraw/zinc/28/80/65/570288065.db2.gz HPRJYYRXSKDVJP-JFDBYLHYSA-N 0 0 377.462 3.418 40 0 GGABRN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)N2CCCN2[C@H]3c2ccc(Cl)cc2)cc1C ZINC000102683141 570291328 /nfs/dbraw/zinc/29/13/28/570291328.db2.gz KFSQEFDKOQQRBS-HSALFYBXSA-N 0 0 395.890 3.492 40 0 GGABRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1)N1CCCN1[C@H]2c1ccc(Cl)cc1 ZINC000102684101 570291334 /nfs/dbraw/zinc/29/13/34/570291334.db2.gz KRGNVBXYIFFBCK-FGTMMUONSA-N 0 0 385.826 3.015 40 0 GGABRN c1csc(N2CN(Cc3ccc4c(c3)OCO4)CN(c3nccs3)C2)n1 ZINC000021122986 570291344 /nfs/dbraw/zinc/29/13/44/570291344.db2.gz GMUUZCZVNUVJRN-UHFFFAOYSA-N 0 0 387.490 3.030 40 0 GGABRN O=C1[C@@H]2[C@H](c3ccncc3)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102728919 570291852 /nfs/dbraw/zinc/29/18/52/570291852.db2.gz KCOBPCXTEANSGM-AABGKKOBSA-N 0 0 389.386 3.272 40 0 GGABRN COC(=O)c1cccc(NC(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)c1 ZINC000014128748 570292193 /nfs/dbraw/zinc/29/21/93/570292193.db2.gz HPVNDNCNFYJINZ-UHFFFAOYSA-N 0 0 399.406 3.425 40 0 GGABRN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCc1cccc(C(F)(F)F)c1)C2=O ZINC000010761867 570292688 /nfs/dbraw/zinc/29/26/88/570292688.db2.gz SBIACKVDAYEWMT-XIKOKIGWSA-N 0 0 398.381 3.249 40 0 GGABRN COC(=O)C1CCN(C(=O)c2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000015924850 570292684 /nfs/dbraw/zinc/29/26/84/570292684.db2.gz CDSGMBRBCDQWMG-UHFFFAOYSA-N 0 0 383.444 3.299 40 0 GGABRN C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000012915830 570293204 /nfs/dbraw/zinc/29/32/04/570293204.db2.gz MLPIMVKXGVRPNH-LLVKDONJSA-N 0 0 392.381 3.334 40 0 GGABRN COC[C@@H](C)NC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000021187700 570293267 /nfs/dbraw/zinc/29/32/67/570293267.db2.gz WTQFUGGYGCFGFU-MBAYWBQQSA-N 0 0 384.520 3.284 40 0 GGABRN Cc1ccc(C)c(NC(=O)CN(C)C(=O)CN(C)Cc2ccccc2Cl)c1 ZINC000012918141 570293521 /nfs/dbraw/zinc/29/35/21/570293521.db2.gz QCWPKPYBWVVBDM-UHFFFAOYSA-N 0 0 387.911 3.486 40 0 GGABRN CCOC(=O)COc1ccc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1OC ZINC000000871748 570294459 /nfs/dbraw/zinc/29/44/59/570294459.db2.gz UVXSQLZBVRQPNQ-UHFFFAOYSA-N 0 0 388.445 3.219 40 0 GGABRN CC(C)CC(=O)Nc1ccc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)cc1 ZINC000012921565 570294507 /nfs/dbraw/zinc/29/45/07/570294507.db2.gz AYJMAUIPTVPLEK-UHFFFAOYSA-N 0 0 395.381 3.490 40 0 GGABRN O=c1c2c3c(sc2ncn1C[C@@H](O)COCc1ccccc1Cl)CCC3 ZINC000014184128 570295074 /nfs/dbraw/zinc/29/50/74/570295074.db2.gz KNONFWUHUNSGMP-CYBMUJFWSA-N 0 0 390.892 3.178 40 0 GGABRN O=c1c2c3c(sc2ncn1C[C@H](O)COCc1ccccc1Cl)CCC3 ZINC000014184129 570295079 /nfs/dbraw/zinc/29/50/79/570295079.db2.gz KNONFWUHUNSGMP-ZDUSSCGKSA-N 0 0 390.892 3.178 40 0 GGABRN COC(=O)c1ccc(NC(=O)CSc2n[nH]c(-c3ccccc3C)n2)cc1 ZINC000216051504 570295310 /nfs/dbraw/zinc/29/53/10/570295310.db2.gz DLUCHACKBQDNOR-UHFFFAOYSA-N 0 0 382.445 3.298 40 0 GGABRN CCCCN1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3[C@H]2C1=O ZINC000103461676 570295496 /nfs/dbraw/zinc/29/54/96/570295496.db2.gz PRYIKQTYSFHILG-NCXUSEDFSA-N 0 0 380.488 3.287 40 0 GGABRN CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1 ZINC000021450015 570295903 /nfs/dbraw/zinc/29/59/03/570295903.db2.gz AZMJTJSCZUNEOZ-QGZVFWFLSA-N 0 0 393.487 3.380 40 0 GGABRN O=C(NCc1cccc(CNC(=O)Nc2nccs2)c1)Nc1nccs1 ZINC000014199241 570295958 /nfs/dbraw/zinc/29/59/58/570295958.db2.gz AMOQLCPKMYJTSE-UHFFFAOYSA-N 0 0 388.478 3.243 40 0 GGABRN CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000021450349 570295962 /nfs/dbraw/zinc/29/59/62/570295962.db2.gz BMGCMNUOKHJYJV-CQSZACIVSA-N 0 0 399.878 3.471 40 0 GGABRN COc1ccccc1CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012924716 570296031 /nfs/dbraw/zinc/29/60/31/570296031.db2.gz RTYFXSCWDLZDDU-UHFFFAOYSA-N 0 0 388.489 3.051 40 0 GGABRN COc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccccc2)C(C)C)cc1Cl ZINC000014200633 570296295 /nfs/dbraw/zinc/29/62/95/570296295.db2.gz VWUIOSXQEVNTQB-QGZVFWFLSA-N 0 0 396.896 3.290 40 0 GGABRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c(C)c1 ZINC000001290149 570296897 /nfs/dbraw/zinc/29/68/97/570296897.db2.gz HVRYFNGWNXHNNK-HKUYNNGSSA-N 0 0 394.471 3.395 40 0 GGABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000216266911 570297874 /nfs/dbraw/zinc/29/78/74/570297874.db2.gz KTFOZAMAAFBDNY-SFHVURJKSA-N 0 0 390.505 3.495 40 0 GGABRN O=C(Cn1cnc2c3ccccc3oc2c1=O)N1CCCc2cc(F)cc(F)c21 ZINC000043267616 570297884 /nfs/dbraw/zinc/29/78/84/570297884.db2.gz FCKLOFJWTFVMNO-UHFFFAOYSA-N 0 0 395.365 3.400 40 0 GGABRN COc1ccc(CCNC(=O)c2c(C)nn(CC(C)C)c2Cl)cc1OC ZINC000015940733 570298262 /nfs/dbraw/zinc/29/82/62/570298262.db2.gz VPHFDHKYLBPCES-UHFFFAOYSA-N 0 0 379.888 3.491 40 0 GGABRN O=S(=O)(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc2c(c1)CCC2 ZINC000006923195 570298322 /nfs/dbraw/zinc/29/83/22/570298322.db2.gz GJHIKQJMNNMGGA-UHFFFAOYSA-N 0 0 392.908 3.466 40 0 GGABRN Cc1nn2c(nc(CN(C)Cc3ccccc3N3CCCCC3)cc2=O)s1 ZINC000043272906 570298417 /nfs/dbraw/zinc/29/84/17/570298417.db2.gz GMPBRWIOACFHNV-UHFFFAOYSA-N 0 0 383.521 3.082 40 0 GGABRN CCOC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl ZINC000216293326 570298526 /nfs/dbraw/zinc/29/85/26/570298526.db2.gz BLIAANBORYKFAU-UHFFFAOYSA-N 0 0 396.852 3.141 40 0 GGABRN Cc1ccc(CC2CN(C(=O)NCc3cc4ccccc4n(C)c3=O)C2)cc1 ZINC000664944043 570299263 /nfs/dbraw/zinc/29/92/63/570299263.db2.gz FCABPFQMUBOBDC-UHFFFAOYSA-N 0 0 375.472 3.231 40 0 GGABRN COc1ccc([C@@H](Cc2ccccc2)NC(=O)N2CC[C@H](O)C(F)(F)C2)cc1 ZINC000664926130 570299281 /nfs/dbraw/zinc/29/92/81/570299281.db2.gz GNHNTPBAPQKGSU-MOPGFXCFSA-N 0 0 390.430 3.391 40 0 GGABRN CCOc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000216358648 570299721 /nfs/dbraw/zinc/29/97/21/570299721.db2.gz SBMOFKASIHUOIU-JKSUJKDBSA-N 0 0 390.505 3.117 40 0 GGABRN O=C(c1ccccc1)n1[n-]c(-c2ccccc2)c2c(=O)n(-c3ccccc3)c(O)c1-2 ZINC000104280169 570300484 /nfs/dbraw/zinc/30/04/84/570300484.db2.gz SQGCRBFITJUIPX-TZIWHRDSSA-N 0 0 395.418 3.105 40 0 GGABRN Cc1ccc(NC(=O)CS[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)cc1 ZINC000104346339 570301639 /nfs/dbraw/zinc/30/16/39/570301639.db2.gz YCXIXIZBBBGOQN-INIZCTEOSA-N 0 0 390.411 3.277 40 0 GGABRN O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccccc1-n1ccnc1 ZINC000216460367 570302127 /nfs/dbraw/zinc/30/21/27/570302127.db2.gz VJMRACJJLYBLNV-UHFFFAOYSA-N 0 0 382.423 3.302 40 0 GGABRN CCn1c2ccccc2n(CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1=O ZINC000010541448 570302477 /nfs/dbraw/zinc/30/24/77/570302477.db2.gz YWAGYHFDIGKPBE-UHFFFAOYSA-N 0 0 389.459 3.264 40 0 GGABRN CCOC(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 ZINC000216480374 570302529 /nfs/dbraw/zinc/30/25/29/570302529.db2.gz KTJDKDAARJBVLL-UHFFFAOYSA-N 0 0 396.852 3.141 40 0 GGABRN O=C(N1CC(N2CCc3sccc3C2)C1)C1(c2ccccc2)CCOCC1 ZINC000575413793 570302976 /nfs/dbraw/zinc/30/29/76/570302976.db2.gz JOKJAOGRRNJHLG-UHFFFAOYSA-N 0 0 382.529 3.065 40 0 GGABRN Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c1C ZINC000014236885 570303114 /nfs/dbraw/zinc/30/31/14/570303114.db2.gz QIBPXPJGCSVZBS-UHFFFAOYSA-N 0 0 392.908 3.104 40 0 GGABRN COc1ccc(CN2CCN([C@@H](C)C(=O)Nc3ccccc3C)CC2)cc1F ZINC000022056537 570303550 /nfs/dbraw/zinc/30/35/50/570303550.db2.gz MIWXQVJNFCMTDB-KRWDZBQOSA-N 0 0 385.483 3.288 40 0 GGABRN CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000022057502 570303556 /nfs/dbraw/zinc/30/35/56/570303556.db2.gz JOTWZGIFEGRKFM-SBUREZEXSA-N 0 0 376.456 3.109 40 0 GGABRN COc1cc[n+]([O-])c(CSc2nc3cc(OC(F)F)ccc3[nH]2)c1OC ZINC000022057454 570303669 /nfs/dbraw/zinc/30/36/69/570303669.db2.gz NQUQOQLHXGSYRG-UHFFFAOYSA-N 0 0 383.376 3.107 40 0 in-vitro GGABRN Cc1nn(C)c(Cl)c1/C=C/C(=O)OCC(=O)N[C@@H](C)c1ccccc1Cl ZINC000014240678 570303872 /nfs/dbraw/zinc/30/38/72/570303872.db2.gz GTJSIGNZRYSISE-FBOQAHMBSA-N 0 0 396.274 3.469 40 0 GGABRN O=C(CCc1ccc2ccccc2n1)OCC(=O)N1CCc2sccc2C1 ZINC000022080966 570305664 /nfs/dbraw/zinc/30/56/64/570305664.db2.gz SJCAWWLLRAEYFH-UHFFFAOYSA-N 0 0 380.469 3.357 40 0 GGABRN O=C([O-])CCC[N@H+](C(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000575420761 570306891 /nfs/dbraw/zinc/30/68/91/570306891.db2.gz KKUWROHJHUBWLN-IBGZPJMESA-N 0 0 387.501 3.130 40 0 GGABRN Cc1ccc2c(cccc2NC(=S)NC(=O)c2ccc3c(c2)OCCO3)n1 ZINC000021595654 570307046 /nfs/dbraw/zinc/30/70/46/570307046.db2.gz PZXOQHONIFSMEY-UHFFFAOYSA-N 0 0 379.441 3.441 40 0 GGABRN CCOc1ccc2nc(NC(=O)CCn3ncc(=O)c4ccccc43)sc2c1 ZINC000012934075 570307233 /nfs/dbraw/zinc/30/72/33/570307233.db2.gz WBVMPAHJALRJAC-UHFFFAOYSA-N 0 0 394.456 3.434 40 0 GGABRN O=S1(=O)C[C@H](N(c2ccccc2)C(c2ccccc2)c2ccccc2)[C@H](O)C1 ZINC000575419980 570307403 /nfs/dbraw/zinc/30/74/03/570307403.db2.gz CAISVHBVXCRXOM-FCHUYYIVSA-N 0 0 393.508 3.441 40 0 GGABRN O=S1(=O)C[C@H](O)[C@@H](N(c2ccccc2)C(c2ccccc2)c2ccccc2)C1 ZINC000575419982 570307464 /nfs/dbraw/zinc/30/74/64/570307464.db2.gz CAISVHBVXCRXOM-VXKWHMMOSA-N 0 0 393.508 3.441 40 0 GGABRN CCN([C@H]1CS(=O)(=O)C[C@@H]1C)S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000575420253 570307778 /nfs/dbraw/zinc/30/77/78/570307778.db2.gz AAADCLHVHCXZCC-KXBFYZLASA-N 0 0 399.578 3.178 40 0 GGABRN COc1ccccc1NC(=O)CSc1nnc(CCC2CCCCC2)n1N ZINC000032946497 570307832 /nfs/dbraw/zinc/30/78/32/570307832.db2.gz PKERRBDPJRHFJT-UHFFFAOYSA-N 0 0 389.525 3.244 40 0 GGABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2C)c1 ZINC000022229702 570308444 /nfs/dbraw/zinc/30/84/44/570308444.db2.gz GAMOCYAIGJQEEA-GOSISDBHSA-N 0 0 388.489 3.104 40 0 GGABRN Cn1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)c2ccccc21 ZINC000022234209 570308813 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Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012326985 570315300 /nfs/dbraw/zinc/31/53/00/570315300.db2.gz DPDPJSZEUGGPKL-HXUWFJFHSA-N 0 0 379.504 3.304 40 0 GGABRN CC(C)Oc1ccc(N(CC(=O)NCCC2=CCCCC2)S(C)(=O)=O)cc1 ZINC000022389236 570315583 /nfs/dbraw/zinc/31/55/83/570315583.db2.gz ITSQHJDZLGXCNP-UHFFFAOYSA-N 0 0 394.537 3.247 40 0 GGABRN CC(C)Oc1ccc(N(CC(=O)NC2CCCCCCC2)S(C)(=O)=O)cc1 ZINC000022400093 570316008 /nfs/dbraw/zinc/31/60/08/570316008.db2.gz NMUBKLBPWNXKKN-UHFFFAOYSA-N 0 0 396.553 3.469 40 0 GGABRN CC(=O)c1cccc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c1 ZINC000022392133 570316062 /nfs/dbraw/zinc/31/60/62/570316062.db2.gz WWAUZKOADSFRMM-UHFFFAOYSA-N 0 0 388.489 3.417 40 0 GGABRN CCOc1cccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2)S(C)(=O)=O)c1 ZINC000022397505 570316114 /nfs/dbraw/zinc/31/61/14/570316114.db2.gz OJQCLATZJXVORX-MRXNPFEDSA-N 0 0 390.505 3.037 40 0 GGABRN CC(C)c1ccccc1N(CC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O ZINC000022393601 570316116 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Cc1cc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c2ccccc2n1 ZINC000012950815 570318526 /nfs/dbraw/zinc/31/85/26/570318526.db2.gz KZJZVFFRERKRLL-IBGZPJMESA-N 0 0 381.501 3.408 40 0 GGABRN Cc1ccc(CN(C)C(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000022511839 570318987 /nfs/dbraw/zinc/31/89/87/570318987.db2.gz HGGAOWTXUKEJQR-SFHVURJKSA-N 0 0 388.533 3.425 40 0 GGABRN Cc1cc(C(=O)NCc2ccc(OC(C)C)cc2)ccc1NS(C)(=O)=O ZINC000022510794 570319046 /nfs/dbraw/zinc/31/90/46/570319046.db2.gz UPDOKOACMSGRQB-UHFFFAOYSA-N 0 0 376.478 3.084 40 0 GGABRN CC[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1)c1ccccc1 ZINC000022516277 570319299 /nfs/dbraw/zinc/31/92/99/570319299.db2.gz GXEKNRFQLWTTOQ-HXUWFJFHSA-N 0 0 386.517 3.493 40 0 GGABRN CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c1 ZINC000022517953 570319623 /nfs/dbraw/zinc/31/96/23/570319623.db2.gz RPXIYWNFRDIMBL-UHFFFAOYSA-N 0 0 390.461 3.022 40 0 GGABRN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)CC)cc1)c1ccc(OC)cc1 ZINC000022516856 570319661 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Cc1cccc(CCCNC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c1 ZINC000220142199 570382645 /nfs/dbraw/zinc/38/26/45/570382645.db2.gz QVRWSAJMKXJJTE-SFHVURJKSA-N 0 0 388.533 3.207 40 0 GGABRN Cc1cccc(N([C@@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000220140445 570382854 /nfs/dbraw/zinc/38/28/54/570382854.db2.gz YLZOSEJIDSEKEE-INIZCTEOSA-N 0 0 392.496 3.038 40 0 GGABRN COc1cccc(N([C@@H](C)C(=O)Nc2c(C)cccc2C)S(C)(=O)=O)c1 ZINC000220155458 570382960 /nfs/dbraw/zinc/38/29/60/570382960.db2.gz FDHNIXXTPQDHRK-HNNXBMFYSA-N 0 0 376.478 3.105 40 0 GGABRN COc1cccc(N([C@H](C)C(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)c1 ZINC000220163967 570383090 /nfs/dbraw/zinc/38/30/90/570383090.db2.gz FPKUWCNNOZLPDP-CYBMUJFWSA-N 0 0 396.896 3.450 40 0 GGABRN CC1(C)Cc2cccc(OCCNC(=O)c3ccc4c(c3)CCC(=O)N4)c2O1 ZINC000024450431 570384156 /nfs/dbraw/zinc/38/41/56/570384156.db2.gz UQGDUDQMSJHNHK-UHFFFAOYSA-N 0 0 380.444 3.094 40 0 GGABRN CCc1ccc(N([C@H](C)C(=O)NCCC2=CCCCC2)S(C)(=O)=O)cc1 ZINC000220272405 570384163 /nfs/dbraw/zinc/38/41/63/570384163.db2.gz WAUJIADDZNNGAM-MRXNPFEDSA-N 0 0 378.538 3.410 40 0 GGABRN CCc1ccc(N([C@@H](C)C(=O)Nc2ccccc2OC)S(C)(=O)=O)cc1 ZINC000220265183 570384170 /nfs/dbraw/zinc/38/41/70/570384170.db2.gz ARQVTOLNGGXGAG-AWEZNQCLSA-N 0 0 376.478 3.051 40 0 GGABRN CCc1ccc(N([C@@H](C)C(=O)NCCCc2ccccc2)S(C)(=O)=O)cc1 ZINC000220284017 570384275 /nfs/dbraw/zinc/38/42/75/570384275.db2.gz LDIMONNDUFLDHF-KRWDZBQOSA-N 0 0 388.533 3.153 40 0 GGABRN CCc1ccc(N([C@@H](C)C(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)cc1 ZINC000220273207 570384279 /nfs/dbraw/zinc/38/42/79/570384279.db2.gz PSNMSBIEFLBYHQ-LBPRGKRZSA-N 0 0 382.432 3.320 40 0 GGABRN CCOC(=O)N1CCC(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)CC1 ZINC000024471300 570384525 /nfs/dbraw/zinc/38/45/25/570384525.db2.gz HNQBNDPDNPSAOS-UHFFFAOYSA-N 0 0 399.447 3.191 40 0 GGABRN Cc1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)cc1NC(=O)c1ccco1 ZINC000024484883 570384841 /nfs/dbraw/zinc/38/48/41/570384841.db2.gz VONNWHOXPLQNJR-UHFFFAOYSA-N 0 0 377.400 3.120 40 0 GGABRN COC(=O)C[C@@H](NC(=O)CCCn1c2ccccc2oc1=O)c1ccc(C)cc1 ZINC000024489039 570384859 /nfs/dbraw/zinc/38/48/59/570384859.db2.gz OTHUYFVHNWHTJR-QGZVFWFLSA-N 0 0 396.443 3.104 40 0 GGABRN CC(C)Oc1ccc(NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000220309340 570384892 /nfs/dbraw/zinc/38/48/92/570384892.db2.gz MSNDXNNKTLZYKH-AWEZNQCLSA-N 0 0 394.468 3.406 40 0 GGABRN Cc1cccc(CCCNC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 ZINC000220314867 570384910 /nfs/dbraw/zinc/38/49/10/570384910.db2.gz BHOSGMKRSOTLKN-MRXNPFEDSA-N 0 0 392.496 3.038 40 0 GGABRN COc1ccc(C)cc1N([C@H](C)C(=O)Nc1cccc(C)c1C)S(C)(=O)=O ZINC000220330067 570385179 /nfs/dbraw/zinc/38/51/79/570385179.db2.gz SQARUBFBRSMMJV-MRXNPFEDSA-N 0 0 390.505 3.414 40 0 GGABRN COc1ccc(C)cc1N([C@@H](C)C(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O ZINC000220339395 570385191 /nfs/dbraw/zinc/38/51/91/570385191.db2.gz SPOZJVVYDUFCBC-LBPRGKRZSA-N 0 0 398.431 3.075 40 0 GGABRN COc1ccc(C)cc1N([C@H](C)C(=O)NC1CCCCCCC1)S(C)(=O)=O ZINC000220340758 570385202 /nfs/dbraw/zinc/38/52/02/570385202.db2.gz DJGOTBQGIBXHOD-MRXNPFEDSA-N 0 0 396.553 3.387 40 0 GGABRN Cc1ccc(N([C@H](C)C(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cc1Cl ZINC000220370695 570386041 /nfs/dbraw/zinc/38/60/41/570386041.db2.gz KDEWJOJTWNTWBW-CYBMUJFWSA-N 0 0 398.887 3.258 40 0 GGABRN COc1ccc(CN(C)C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1F ZINC000024581836 570386413 /nfs/dbraw/zinc/38/64/13/570386413.db2.gz KNJMNJZNCBRHEW-UHFFFAOYSA-N 0 0 397.450 3.210 40 0 GGABRN CC[C@@H](C(=O)Nc1cccc(OC)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220559872 570388522 /nfs/dbraw/zinc/38/85/22/570388522.db2.gz PUKOUIUQLFXWEJ-IBGZPJMESA-N 0 0 390.505 3.495 40 0 GGABRN CC[C@H](C(=O)Nc1cccc(OC)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220559971 570388581 /nfs/dbraw/zinc/38/85/81/570388581.db2.gz PUKOUIUQLFXWEJ-LJQANCHMSA-N 0 0 390.505 3.495 40 0 GGABRN CC[C@H](C(=O)NCc1ccc(C)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220564418 570388584 /nfs/dbraw/zinc/38/85/84/570388584.db2.gz VPTWJVQSOSUQTI-HXUWFJFHSA-N 0 0 388.533 3.473 40 0 GGABRN CC[C@@H](C(=O)N[C@H](C)c1ccccc1)N(c1ccccc1F)S(C)(=O)=O ZINC000220585090 570388812 /nfs/dbraw/zinc/38/88/12/570388812.db2.gz KRNRXNLBLOMNCX-PBHICJAKSA-N 0 0 378.469 3.248 40 0 GGABRN CC[C@H](C(=O)N[C@H](C)c1ccccc1)N(c1ccccc1F)S(C)(=O)=O ZINC000220585159 570388932 /nfs/dbraw/zinc/38/89/32/570388932.db2.gz KRNRXNLBLOMNCX-RHSMWYFYSA-N 0 0 378.469 3.248 40 0 GGABRN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1c[nH]c(=S)n1-c1ccccc1 ZINC000024660580 570389144 /nfs/dbraw/zinc/38/91/44/570389144.db2.gz LHLNTSKUBYDWBM-OAHLLOKOSA-N 0 0 381.457 3.447 40 0 GGABRN CC[C@H](C(=O)N[C@@H](C)c1ccccc1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220609034 570389283 /nfs/dbraw/zinc/38/92/83/570389283.db2.gz ICTJVPXCOOUGNU-HNAYVOBHSA-N 0 0 390.505 3.117 40 0 GGABRN CC[C@@H](C(=O)Nc1c(C)cccc1C)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220609876 570389308 /nfs/dbraw/zinc/38/93/08/570389308.db2.gz JEFSONXIAXNMDV-SFHVURJKSA-N 0 0 390.505 3.495 40 0 GGABRN CC[C@@H](C(=O)Nc1cccc(C)c1C)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220613864 570389337 /nfs/dbraw/zinc/38/93/37/570389337.db2.gz VHQIOXIISUKSAL-IBGZPJMESA-N 0 0 390.505 3.495 40 0 GGABRN Cc1cc(C(F)(F)F)nc2sc3c(ncn(CC(=O)NC(C)(C)C)c3=O)c21 ZINC000032117864 570389562 /nfs/dbraw/zinc/38/95/62/570389562.db2.gz IZINCQCNSFSLLC-UHFFFAOYSA-N 0 0 398.410 3.248 40 0 GGABRN Cc1cc(-n2c(C)cc(C(=O)CSc3nnc4nc(C)cc(C)n43)c2C)no1 ZINC000006326337 570389614 /nfs/dbraw/zinc/38/96/14/570389614.db2.gz OFNOSLAXSXQTQZ-UHFFFAOYSA-N 0 0 396.476 3.420 40 0 GGABRN CC[C@@H](C(=O)Nc1cc(C)ccc1C)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220635931 570389883 /nfs/dbraw/zinc/38/98/83/570389883.db2.gz FWZAJVWNEPJXAM-IBGZPJMESA-N 0 0 390.505 3.495 40 0 GGABRN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000006328438 570389917 /nfs/dbraw/zinc/38/99/17/570389917.db2.gz GKXHHRPCRFYYNQ-CYBMUJFWSA-N 0 0 386.835 3.411 40 0 GGABRN Cc1ccc(NC(=O)CN(C)C(=O)/C=C/c2ccc3c(c2)OCCCO3)cc1 ZINC000013099056 570390460 /nfs/dbraw/zinc/39/04/60/570390460.db2.gz QPQZPBGCVLUFMZ-YRNVUSSQSA-N 0 0 380.444 3.267 40 0 GGABRN COc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccccc3Cl)no2)cc1 ZINC000004998086 570391970 /nfs/dbraw/zinc/39/19/70/570391970.db2.gz DIVYDTXOPFIADC-LLVKDONJSA-N 0 0 393.852 3.438 40 0 GGABRN CCOC[C@](C)(COC(C)=O)C[C@](C)(COC(C)=O)C[C@@H](C)COC(C)=O ZINC000004691854 570393540 /nfs/dbraw/zinc/39/35/40/570393540.db2.gz DPATWNREWHARSN-CDHQVMDDSA-N 0 0 388.501 3.141 40 0 GGABRN Cc1ccc(-c2csc(NC(=O)CN3CCN(c4ccccn4)CC3)n2)cc1 ZINC000023471991 570393692 /nfs/dbraw/zinc/39/36/92/570393692.db2.gz GXCSPXHUIXUUDI-UHFFFAOYSA-N 0 0 393.516 3.274 40 0 GGABRN CCCCCCOCCOCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(Cl)C1=O ZINC000004691960 570393885 /nfs/dbraw/zinc/39/38/85/570393885.db2.gz RHYJXZMIPUWIGZ-AXVVYFOYSA-N 0 0 383.916 3.159 40 0 GGABRN CCOC[C@@](C)(COC(C)=O)C[C@@](C)(COC(C)=O)C[C@@H](C)COC(C)=O ZINC000004691857 570393959 /nfs/dbraw/zinc/39/39/59/570393959.db2.gz DPATWNREWHARSN-XPGWFJOJSA-N 0 0 388.501 3.141 40 0 GGABRN CS(=O)(=O)Nc1ccc(/C=C/C(=O)NCCCn2ccc3ccccc32)cc1 ZINC000032899487 570396191 /nfs/dbraw/zinc/39/61/91/570396191.db2.gz YHRXJWBIKCOWHB-FMIVXFBMSA-N 0 0 397.500 3.233 40 0 GGABRN CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000010965925 570397027 /nfs/dbraw/zinc/39/70/27/570397027.db2.gz JAVSWGDZSZOHKZ-INIZCTEOSA-N 0 0 394.493 3.091 40 0 GGABRN Cc1cccc(Oc2cc(CNC(=O)N3CC[C@@H](O)C(F)(F)C3)ccn2)c1C ZINC000685938928 570398244 /nfs/dbraw/zinc/39/82/44/570398244.db2.gz LBPUJXAWJCAKAO-QGZVFWFLSA-N 0 0 391.418 3.402 40 0 GGABRN O=C(NCc1cccc2occc21)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000685938966 570398469 /nfs/dbraw/zinc/39/84/69/570398469.db2.gz BPSTUOZQXSBCAC-LJQANCHMSA-N 0 0 391.471 3.466 40 0 GGABRN C[C@H]1Cc2c(NC(=O)C3c4ccccc4Oc4ccccc43)nn(C)c2NC1=O ZINC000035597774 570400330 /nfs/dbraw/zinc/40/03/30/570400330.db2.gz LYKTYKCJJLRRLV-LBPRGKRZSA-N 0 0 388.427 3.427 40 0 GGABRN COc1ccc(OC)c(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 ZINC000024977561 570400974 /nfs/dbraw/zinc/40/09/74/570400974.db2.gz ZHTJGQWLSCHFPL-UHFFFAOYSA-N 0 0 393.505 3.359 40 0 GGABRN CCOc1c(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)cccc1OC ZINC000006958210 570401365 /nfs/dbraw/zinc/40/13/65/570401365.db2.gz CMMIPJWBTLOITR-OQLLNIDSSA-N 0 0 393.461 3.329 40 0 GGABRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCC2(CC1)OCCO2 ZINC000024996447 570402720 /nfs/dbraw/zinc/40/27/20/570402720.db2.gz IFGMNSFQKMCPPF-UHFFFAOYSA-N 0 0 389.883 3.181 40 0 GGABRN COC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(OC(F)F)c(OC)c3)cc21 ZINC000025013729 570403120 /nfs/dbraw/zinc/40/31/20/570403120.db2.gz JKYNLKPCVIMPGB-UHFFFAOYSA-N 0 0 391.330 3.212 40 0 GGABRN CCc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 ZINC000012980346 570403138 /nfs/dbraw/zinc/40/31/38/570403138.db2.gz JWIGNIORKRGLCM-HNNXBMFYSA-N 0 0 398.459 3.266 40 0 GGABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000012980468 570403167 /nfs/dbraw/zinc/40/31/67/570403167.db2.gz CAHWHNQMGNPJKN-HNNXBMFYSA-N 0 0 390.505 3.468 40 0 GGABRN COC(=O)[C@H](c1ccccc1Cl)N1CCN(c2ncnc3ccccc32)CC1 ZINC000025005351 570403155 /nfs/dbraw/zinc/40/31/55/570403155.db2.gz XUTUZKXYKPPFNN-IBGZPJMESA-N 0 0 396.878 3.320 40 0 GGABRN COc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000012980491 570403198 /nfs/dbraw/zinc/40/31/98/570403198.db2.gz CHBXDMTVMIWDPC-UHFFFAOYSA-N 0 0 397.456 3.021 40 0 GGABRN CCc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 ZINC000012980348 570403204 /nfs/dbraw/zinc/40/32/04/570403204.db2.gz JWIGNIORKRGLCM-OAHLLOKOSA-N 0 0 398.459 3.266 40 0 GGABRN COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000006395695 570404194 /nfs/dbraw/zinc/40/41/94/570404194.db2.gz XIPVCWLMDBYFFJ-UHFFFAOYSA-N 0 0 394.518 3.105 40 0 GGABRN COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)c1 ZINC000010971767 570407199 /nfs/dbraw/zinc/40/71/99/570407199.db2.gz QXELOFMCDNCWII-UHFFFAOYSA-N 0 0 384.432 3.338 40 0 GGABRN CCn1cc(Cl)c(C(=O)Nc2cn(CC)nc2C(=O)Nc2ccccc2)n1 ZINC000028237236 570407956 /nfs/dbraw/zinc/40/79/56/570407956.db2.gz HOJJOYVPYPMWOO-UHFFFAOYSA-N 0 0 386.843 3.277 40 0 GGABRN 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/nfs/dbraw/zinc/40/91/22/570409122.db2.gz UWWPBXVXPCBWKC-KRXBUXKQSA-N 0 0 392.333 3.359 40 0 GGABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(Cl)c(C)c1 ZINC000222386084 570409257 /nfs/dbraw/zinc/40/92/57/570409257.db2.gz AQXSYKGLZHBANA-INIZCTEOSA-N 0 0 388.895 3.499 40 0 GGABRN CCN(c1ccc(C(=O)N(C)Cc2ccc(OC)cc2)cc1)S(=O)(=O)CC ZINC000222389482 570409267 /nfs/dbraw/zinc/40/92/67/570409267.db2.gz CPABXOPSTNQWGC-UHFFFAOYSA-N 0 0 390.505 3.143 40 0 GGABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C ZINC000222386709 570409373 /nfs/dbraw/zinc/40/93/73/570409373.db2.gz LVFILXBTUSJDSE-LJQANCHMSA-N 0 0 382.504 3.462 40 0 GGABRN C[C@@H](NC(N)=O)C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000025257469 570409543 /nfs/dbraw/zinc/40/95/43/570409543.db2.gz VTLPAGDCPDNZDH-IUODEOHRSA-N 0 0 384.867 3.126 40 0 GGABRN COc1cccc(/C=C/C(=O)Oc2ccc(OCCN3CCOCC3)cc2)c1 ZINC000040146332 570410313 /nfs/dbraw/zinc/41/03/13/570410313.db2.gz UIJZFATVGAATOK-BJMVGYQFSA-N 0 0 383.444 3.025 40 0 GGABRN 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CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(F)c1 ZINC000261363037 570788150 /nfs/dbraw/zinc/78/81/50/570788150.db2.gz FRKNQGQFKTYKSJ-IBGZPJMESA-O 0 0 397.455 3.301 40 0 GGABRN CCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@@H]1c1ccccc1F ZINC000261364774 570788554 /nfs/dbraw/zinc/78/85/54/570788554.db2.gz NPRMIGZPLBVQRJ-LJQANCHMSA-O 0 0 397.455 3.301 40 0 GGABRN CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(Cl)c1 ZINC000261364985 570788674 /nfs/dbraw/zinc/78/86/74/570788674.db2.gz PCXNLRGKDYRTGY-SFHVURJKSA-O 0 0 399.883 3.425 40 0 GGABRN CCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1ccc(OC)c(O)c1 ZINC000261363485 570788760 /nfs/dbraw/zinc/78/87/60/570788760.db2.gz SSHCCPOKKHHHIS-SFHVURJKSA-O 0 0 397.480 3.325 40 0 GGABRN CCOC(=O)c1cnc2nc(-c3ccncc3)nn2c1-c1ccc(OC)cc1 ZINC000010338691 570788799 /nfs/dbraw/zinc/78/87/99/570788799.db2.gz ZRQVPRUCJFEHJM-UHFFFAOYSA-N 0 0 375.388 3.039 40 0 GGABRN C[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc2c(c1)OCCO2 ZINC000032736261 570788922 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GGABRN Cc1cccc(CNC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 ZINC000010448258 570790566 /nfs/dbraw/zinc/79/05/66/570790566.db2.gz XJIJUBIGHMKLJB-HNNXBMFYSA-N 0 0 394.924 3.428 40 0 GGABRN O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)N1CCc2ccccc21 ZINC000010449414 570790602 /nfs/dbraw/zinc/79/06/02/570790602.db2.gz AOLJYCSZOADRRQ-UHFFFAOYSA-N 0 0 390.892 3.327 40 0 GGABRN Cc1cc(Cl)ccc1N(CC(=O)N1c2ccccc2C[C@H]1C)S(C)(=O)=O ZINC000010449785 570790926 /nfs/dbraw/zinc/79/09/26/570790926.db2.gz NPOPYMDKKCDQGB-CQSZACIVSA-N 0 0 392.908 3.392 40 0 GGABRN Cc1ccccc1N(CC(=O)N1CCC[C@H](C)C1)S(=O)(=O)c1ccccc1 ZINC000010541105 570791591 /nfs/dbraw/zinc/79/15/91/570791591.db2.gz BAZZCIWJRJIQKC-KRWDZBQOSA-N 0 0 386.517 3.449 40 0 GGABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000010549214 570792595 /nfs/dbraw/zinc/79/25/95/570792595.db2.gz HCMHQBGFXDJXDV-UHFFFAOYSA-N 0 0 399.428 3.156 40 0 GGABRN COC(=O)c1c(C)nc(=O)[nH]c1SCC(=O)Nc1c(C)cccc1C(C)C ZINC000032747182 570793184 /nfs/dbraw/zinc/79/31/84/570793184.db2.gz XKNXXBFEIQCVBH-UHFFFAOYSA-N 0 0 389.477 3.028 40 0 GGABRN C[C@@H](CCc1ccccc1)NS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)[C@H]2C ZINC000101079007 570794051 /nfs/dbraw/zinc/79/40/51/570794051.db2.gz XVUFPMQPEWYKNX-HOTGVXAUSA-N 0 0 398.528 3.383 40 0 GGABRN CCc1cccc(CC)c1NC(=O)COc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000011206020 570794301 /nfs/dbraw/zinc/79/43/01/570794301.db2.gz MVWYXZCXYKULHQ-UHFFFAOYSA-N 0 0 399.443 3.402 40 0 GGABRN COc1ccc(C(C)=O)cc1COC(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000011138318 570794465 /nfs/dbraw/zinc/79/44/65/570794465.db2.gz MNJUSMYKFGTEMG-UHFFFAOYSA-N 0 0 398.411 3.375 40 0 GGABRN O=C(Nc1ccccc1N1CCCC1=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000032760079 570795749 /nfs/dbraw/zinc/79/57/49/570795749.db2.gz OPAVDHXHBNZXSH-OAHLLOKOSA-N 0 0 397.500 3.366 40 0 GGABRN C/C=C(/C)C(=O)O[C@H]1C[C@]2(C)O[C@H]2[C@@H](OC(C)=O)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12 ZINC000005829811 570795814 /nfs/dbraw/zinc/79/58/14/570795814.db2.gz WVPPLOSRTXOZAP-UKTZRGQJSA-N 0 0 394.508 3.161 40 0 biogenic GGABRN CCOc1ccc2nc(N3CCN(C(=O)c4ccn(C(C)C)n4)CC3)sc2c1 ZINC000036701810 570796553 /nfs/dbraw/zinc/79/65/53/570796553.db2.gz TVKXICMMLOEFRU-UHFFFAOYSA-N 0 0 399.520 3.435 40 0 GGABRN Cc1ccnc(Nc2ccc(NCCNC(=O)c3c(F)cccc3F)nn2)c1 ZINC000011696739 570797615 /nfs/dbraw/zinc/79/76/15/570797615.db2.gz RNCYNRYLKRGVAJ-UHFFFAOYSA-N 0 0 384.390 3.044 40 0 GGABRN Cc1ccc(S(=O)(=O)N2C[C@@H](c3nc(C)no3)[C@@H](c3ccccc3)C2)s1 ZINC000238814546 570798802 /nfs/dbraw/zinc/79/88/02/570798802.db2.gz BDEBJGMOSFRWJQ-HZPDHXFCSA-N 0 0 389.502 3.320 40 0 GGABRN CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1OC ZINC000005866993 570798893 /nfs/dbraw/zinc/79/88/93/570798893.db2.gz IBUPKKFXAKKATH-IBGZPJMESA-N 0 0 381.432 3.361 40 0 GGABRN O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)N1CCc2ccccc2C1 ZINC000011895463 570799223 /nfs/dbraw/zinc/79/92/23/570799223.db2.gz VFSSMKLQRDQNDV-YBEGLDIGSA-N 0 0 384.482 3.369 40 0 GGABRN CCCc1ccc([C@]2(C)NC(=O)N(Cc3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000007124687 570799784 /nfs/dbraw/zinc/79/97/84/570799784.db2.gz KSOYAXBTSVJYIP-QFIPXVFZSA-N 0 0 380.444 3.393 40 0 GGABRN CCCCOC(=O)c1ccc(NC(=O)CCNC(=O)NCc2ccccc2)cc1 ZINC000022186473 570800812 /nfs/dbraw/zinc/80/08/12/570800812.db2.gz PBFPFZLOMJUWFZ-UHFFFAOYSA-N 0 0 397.475 3.472 40 0 GGABRN C[C@@H]1C(c2ccc(F)cc2)=NO[C@H]1C(=O)N[C@H](c1ccnn1C)c1ccccc1 ZINC000012194040 570802842 /nfs/dbraw/zinc/80/28/42/570802842.db2.gz ARWGFOJBAHDRBA-PUCZYUMASA-N 0 0 392.434 3.204 40 0 GGABRN O=C(CNC(=O)c1c2c(nc3ccccc31)CCC2)Nc1ccc(F)c(F)c1 ZINC000036728595 570803438 /nfs/dbraw/zinc/80/34/38/570803438.db2.gz ITNVANLUKLEKBA-UHFFFAOYSA-N 0 0 381.382 3.370 40 0 GGABRN CSc1ncc(C(=O)N[C@H](C)c2nnc3ccccn32)n1-c1ccccc1 ZINC000052768408 570803523 /nfs/dbraw/zinc/80/35/23/570803523.db2.gz SBQSLJJNGXCGRX-CYBMUJFWSA-N 0 0 378.461 3.128 40 0 GGABRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 ZINC000005934240 570804923 /nfs/dbraw/zinc/80/49/23/570804923.db2.gz ISDGAHBWHCADSL-QGZVFWFLSA-N 0 0 380.444 3.147 40 0 GGABRN CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000175137847 570805443 /nfs/dbraw/zinc/80/54/43/570805443.db2.gz DQWJLGJUDNMYSM-DYVFJYSZSA-N 0 0 379.453 3.264 40 0 GGABRN CC(C)C[C@@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000018131422 570805940 /nfs/dbraw/zinc/80/59/40/570805940.db2.gz ABACTCLYILYENO-GOSISDBHSA-N 0 0 399.516 3.019 40 0 GGABRN Cc1cccc(CCCNC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1 ZINC000010110682 570805950 /nfs/dbraw/zinc/80/59/50/570805950.db2.gz GPHGEOGHWNTSSF-UHFFFAOYSA-N 0 0 388.533 3.127 40 0 GGABRN COc1ccccc1OCCC(=O)OCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000005938175 570806862 /nfs/dbraw/zinc/80/68/62/570806862.db2.gz DFWNDXUWNAHBQO-GOSISDBHSA-N 0 0 383.444 3.201 40 0 GGABRN CCc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3cccnc3)cc2)cc1 ZINC000012471628 570807198 /nfs/dbraw/zinc/80/71/98/570807198.db2.gz UZLQYGBZSMAUQX-UHFFFAOYSA-N 0 0 395.484 3.375 40 0 GGABRN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1 ZINC000012472116 570807246 /nfs/dbraw/zinc/80/72/46/570807246.db2.gz NRQPXPRUHBLEOH-INIZCTEOSA-N 0 0 385.395 3.232 40 0 GGABRN O=c1[nH]c(CNc2ccc(F)cc2)nc2c1nnn2Cc1ccccc1Cl ZINC000012492098 570807616 /nfs/dbraw/zinc/80/76/16/570807616.db2.gz BGZLKTSIRWQAMN-UHFFFAOYSA-N 0 0 384.802 3.380 40 0 GGABRN CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000175817613 570807691 /nfs/dbraw/zinc/80/76/91/570807691.db2.gz XTYNREXBKKOZLK-QAPCUYQASA-N 0 0 375.490 3.433 40 0 GGABRN O=C(CCC(=O)c1ccccc1)NC1CCN(c2cc3c(nn2)CCCC3)CC1 ZINC000238867484 570808022 /nfs/dbraw/zinc/80/80/22/570808022.db2.gz MCMHNJLAURSJCM-UHFFFAOYSA-N 0 0 392.503 3.104 40 0 GGABRN CN(Cc1ccc(F)cc1)C(=O)COC(=O)CSc1nc2ccccc2o1 ZINC000005970190 570810045 /nfs/dbraw/zinc/81/00/45/570810045.db2.gz MKOAYVVCPSZPSR-UHFFFAOYSA-N 0 0 388.420 3.261 40 0 GGABRN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CSc1nc2ccccc2o1 ZINC000005970154 570810188 /nfs/dbraw/zinc/81/01/88/570810188.db2.gz PXPRVBPMHNGUNU-ZDUSSCGKSA-N 0 0 382.441 3.441 40 0 GGABRN CCOC(=O)c1ccc2c(c1)nc(S[C@@H](C)C(=O)N1CCCC1)n2CC ZINC000005993810 570812527 /nfs/dbraw/zinc/81/25/27/570812527.db2.gz HRLQAYDDSVWBPB-ZDUSSCGKSA-N 0 0 375.494 3.336 40 0 GGABRN CCC[C@H](NC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000032794958 570815379 /nfs/dbraw/zinc/81/53/79/570815379.db2.gz FNPGCMLQLHFFTL-KDOFPFPSSA-N 0 0 375.494 3.236 40 0 GGABRN CC(C)(C)c1ccc(OCCC(=O)OCC(=O)NC(=O)NC2CCCC2)cc1 ZINC000006033100 570815673 /nfs/dbraw/zinc/81/56/73/570815673.db2.gz WCXQMECNZWCASU-UHFFFAOYSA-N 0 0 390.480 3.065 40 0 GGABRN Cc1ccccc1C(=O)N1CCC(C(=O)N(C)CCOc2ccccc2)CC1 ZINC000012896227 570816242 /nfs/dbraw/zinc/81/62/42/570816242.db2.gz BRZCZHANHROEGC-UHFFFAOYSA-N 0 0 380.488 3.385 40 0 GGABRN CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(C(F)(F)F)cc2)cc1 ZINC000007218388 570816827 /nfs/dbraw/zinc/81/68/27/570816827.db2.gz MDIXTSPCXGVSGI-UHFFFAOYSA-N 0 0 386.395 3.185 40 0 GGABRN CCOc1ccccc1N1C[C@H](C(=O)N[C@@H]2CCOc3ccccc32)CC1=O ZINC000007217210 570817308 /nfs/dbraw/zinc/81/73/08/570817308.db2.gz JRVUREVNOKQVTK-NVXWUHKLSA-N 0 0 380.444 3.078 40 0 GGABRN O=C(Cn1nnc(-c2ccccc2)n1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000031625538 570818285 /nfs/dbraw/zinc/81/82/85/570818285.db2.gz WOANJGUCNWAOKC-UHFFFAOYSA-N 0 0 382.733 3.046 40 0 GGABRN CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)c1 ZINC000032796664 570818566 /nfs/dbraw/zinc/81/85/66/570818566.db2.gz HQAKZXSRAGOFND-UHFFFAOYSA-N 0 0 392.440 3.076 40 0 GGABRN C[C@@H](c1ccccc1)N1CCN(C(=O)COc2ccc3ccc(=O)oc3c2)CC1 ZINC000031640272 570818915 /nfs/dbraw/zinc/81/89/15/570818915.db2.gz MCJXJNHZMOSWNP-KRWDZBQOSA-N 0 0 392.455 3.077 40 0 GGABRN O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000007251463 570820470 /nfs/dbraw/zinc/82/04/70/570820470.db2.gz SGKAKKMQXSXBIM-UHFFFAOYSA-N 0 0 397.744 3.352 40 0 GGABRN CCOC(=O)c1ccc(S(=O)(=O)N(C)CCOc2ccc(Cl)cc2)cc1 ZINC000007249081 570820492 /nfs/dbraw/zinc/82/04/92/570820492.db2.gz OHKQZHUEJLWFCC-UHFFFAOYSA-N 0 0 397.880 3.216 40 0 GGABRN CN(C)S(=O)(=O)c1ccc2oc(SCCOc3ccc(F)cc3)nc2c1 ZINC000007254146 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ZINC000028241722 1400142195 /nfs/dbraw/zinc/14/21/95/1400142195.db2.gz RNKRTUANIFCWJK-UHFFFAOYSA-N 0 0 395.854 3.294 40 0 GGABRN COc1cccc(Cn2cc(NC(=O)Cn3nc(C(F)(F)F)cc3C)cn2)c1 ZINC000028239456 1400142522 /nfs/dbraw/zinc/14/25/22/1400142522.db2.gz HUZAAXFAZMJAAS-UHFFFAOYSA-N 0 0 393.369 3.102 40 0 GGABRN Cc1nn(Cn2ccc(C(=O)Nc3cc(-c4ccccc4)[nH]n3)n2)c(C)c1Cl ZINC000028245964 1400142573 /nfs/dbraw/zinc/14/25/73/1400142573.db2.gz FSXHBGGGMJOSRW-UHFFFAOYSA-N 0 0 395.854 3.498 40 0 GGABRN C[C@H](CCc1ccccc1)NC(=O)CCC(=O)NC[C@@H]1OCCc2ccccc21 ZINC000028285754 1400146493 /nfs/dbraw/zinc/14/64/93/1400146493.db2.gz WEUPESYTHHELPO-GCJKJVERSA-N 0 0 394.515 3.334 40 0 GGABRN Cc1cc(C)n(C2=Nc3sc4c(c3[C@@H](NC[C@@H]3CCCO3)N2)CCCC4)n1 ZINC000028286501 1400147068 /nfs/dbraw/zinc/14/70/68/1400147068.db2.gz SYQLRZZLESEJIG-KSSFIOAISA-N 0 0 385.537 3.346 40 0 GGABRN CC1(C)NN2C(=NC1=O)SC(NC(=O)c1cccs1)=C2c1ccccc1 ZINC000028294719 1400147313 /nfs/dbraw/zinc/14/73/13/1400147313.db2.gz 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ZINC000029630660 1400326132 /nfs/dbraw/zinc/32/61/32/1400326132.db2.gz UZZHWPINYOTGTA-AUSIDOKSSA-N 0 0 384.495 3.403 40 0 GGABRN Cc1ccc(C)c(NC(=O)[C@H](C)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000029660494 1400332839 /nfs/dbraw/zinc/33/28/39/1400332839.db2.gz CJQNKMHSEWMGRL-KRWDZBQOSA-N 0 0 383.467 3.228 40 0 GGABRN COc1cccc([C@H](NC(=O)NCCOc2ccccc2F)c2nccn2C)c1 ZINC000029728124 1400344042 /nfs/dbraw/zinc/34/40/42/1400344042.db2.gz GGBSTEAZIQRIPV-IBGZPJMESA-N 0 0 398.438 3.035 40 0 GGABRN CCOc1cc2c(cc1NC(=O)[C@H]1CCCN(c3cnccn3)C1)O[C@H](C)C2 ZINC000029785593 1400352203 /nfs/dbraw/zinc/35/22/03/1400352203.db2.gz KKYWAFJBCHIBDY-CABCVRRESA-N 0 0 382.464 3.054 40 0 GGABRN O=C(NCCc1nc2ccccc2[nH]1)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000056490829 1407348318 /nfs/dbraw/zinc/34/83/18/1407348318.db2.gz FJQJSTIGFLSMRX-OAQYLSRUSA-N 0 0 392.459 3.327 40 0 GGABRN CCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 ZINC000046544503 1404471246 /nfs/dbraw/zinc/47/12/46/1404471246.db2.gz KYZHHWOYLIGICD-MRXNPFEDSA-N 0 0 396.443 3.254 40 0 GGABRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000049809603 1405421507 /nfs/dbraw/zinc/42/15/07/1405421507.db2.gz VYAYWYBVDYIFDN-CQSZACIVSA-N 0 0 386.835 3.183 40 0 GGABRN CCC(=O)Nc1cccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000050078090 1405472540 /nfs/dbraw/zinc/47/25/40/1405472540.db2.gz BENGBEWMTANUQT-UHFFFAOYSA-N 0 0 378.432 3.085 40 0 GGABRN CCOc1ccccc1C(=O)NCC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000057380789 1407602271 /nfs/dbraw/zinc/60/22/71/1407602271.db2.gz XKVXFEOVHRPFLF-UHFFFAOYSA-N 0 0 394.393 3.493 40 0 GGABRN Cc1c(NC(=O)[C@H](C)N(C)Cc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000057530608 1407643893 /nfs/dbraw/zinc/64/38/93/1407643893.db2.gz QUDVKDCFGZBIDD-INIZCTEOSA-N 0 0 396.466 3.083 40 0 GGABRN Cc1c(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)[nH]c2c1C(=O)CCC2 ZINC000057769641 1407712705 /nfs/dbraw/zinc/71/27/05/1407712705.db2.gz VGXAWWVQCSMDAI-AWEZNQCLSA-N 0 0 377.448 3.256 40 0 GGABRN C[C@@H](NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1nc2ccccc2[nH]1 ZINC000057895380 1407749669 /nfs/dbraw/zinc/74/96/69/1407749669.db2.gz AIHVEFMOWQQQGR-CQSZACIVSA-N 0 0 378.476 3.468 40 0 GGABRN CCOC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000058017288 1407770324 /nfs/dbraw/zinc/77/03/24/1407770324.db2.gz CAUDGSKXIDBRKX-LJQANCHMSA-N 0 0 375.490 3.263 40 0 GGABRN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@@H]1Cc2ccccc2O1 ZINC000058099932 1407783112 /nfs/dbraw/zinc/78/31/12/1407783112.db2.gz GMHKCAVCPGPIFN-INIZCTEOSA-N 0 0 392.377 3.285 40 0 GGABRN CCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1 ZINC000058148978 1407789616 /nfs/dbraw/zinc/78/96/16/1407789616.db2.gz QNGZAEZTFNGKQG-UHFFFAOYSA-N 0 0 390.487 3.326 40 0 GGABRN CCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)CC1 ZINC000058148840 1407789681 /nfs/dbraw/zinc/78/96/81/1407789681.db2.gz GQGOMNXIFKCJAP-UHFFFAOYSA-N 0 0 390.487 3.326 40 0 GGABRN CCCc1ccc(-c2cc(NC(=O)NCCc3ccccn3)n(CCO)n2)cc1 ZINC000058245193 1407801748 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NC(=O)c1ccccc1NC(=O)CSCc1cccc(Br)c1 ZINC000409025295 231148552 /nfs/dbraw/zinc/14/85/52/231148552.db2.gz PIXMGJUXJXLZKE-UHFFFAOYSA-N 0 0 379.279 3.420 40 0 GGABRN Cc1c(/C=c2\sc3nc(C)c(C(C)C)c(=O)n3c2=O)c2cc(C)ccc2n1C ZINC000409044003 231150845 /nfs/dbraw/zinc/15/08/45/231150845.db2.gz GHSUDOQYKRARAD-ZDLGFXPLSA-N 0 0 393.512 3.204 40 0 GGABRN Cc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2)CC1=O ZINC000409131513 231169332 /nfs/dbraw/zinc/16/93/32/231169332.db2.gz IRBJGGFWUAXXCQ-CQSZACIVSA-N 0 0 386.835 3.183 40 0 GGABRN Cc1ccc(OCCN2C(=O)S[C@@H](Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000409145850 231170709 /nfs/dbraw/zinc/17/07/09/231170709.db2.gz QGOMETVRMBLOPY-SFHVURJKSA-N 0 0 385.441 3.409 40 0 GGABRN Cc1ccc(CSCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 ZINC000409141600 231170870 /nfs/dbraw/zinc/17/08/70/231170870.db2.gz VWZIMTNRBSZBJV-UHFFFAOYSA-N 0 0 378.519 3.263 40 0 GGABRN Nn1c(SCC(=O)Nc2ccccn2)nnc1-c1ccc(Cl)cc1Cl ZINC000409156190 231172831 /nfs/dbraw/zinc/17/28/31/231172831.db2.gz QYUSSUGUMQNUEU-UHFFFAOYSA-N 0 0 395.275 3.092 40 0 GGABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)Cc2cccc(C)c2)cc1 ZINC000409063890 231153536 /nfs/dbraw/zinc/15/35/36/231153536.db2.gz NUIMJVWLQQNXRU-UHFFFAOYSA-N 0 0 386.517 3.117 40 0 GGABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)Cc2cccc(C)c2)cc1 ZINC000409066624 231154279 /nfs/dbraw/zinc/15/42/79/231154279.db2.gz WINMZOOHKMWMJO-UHFFFAOYSA-N 0 0 388.533 3.267 40 0 GGABRN O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc(F)cc1F ZINC000409166346 231173485 /nfs/dbraw/zinc/17/34/85/231173485.db2.gz FAYJURSLMSVVIH-UHFFFAOYSA-N 0 0 395.214 3.189 40 0 GGABRN Cc1cccc(CSCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 ZINC000409166023 231173827 /nfs/dbraw/zinc/17/38/27/231173827.db2.gz CBFPMIXPXAARLX-UHFFFAOYSA-N 0 0 392.546 3.054 40 0 GGABRN Cc1c(F)cccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1N ZINC000409173224 231174866 /nfs/dbraw/zinc/17/48/66/231174866.db2.gz HSMDGWKXTFCIRK-UHFFFAOYSA-N 0 0 391.859 3.491 40 0 GGABRN Cc1ccc(S(=O)(=O)N2NC3=C(CCC[C@H]3C)[C@@]2(O)C(F)(F)F)cc1 ZINC000409181202 231175431 /nfs/dbraw/zinc/17/54/31/231175431.db2.gz ZBQSQJXWZLGTMW-OSAQELSMSA-N 0 0 376.400 3.042 40 0 GGABRN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c(C)c1 ZINC000409191122 231177436 /nfs/dbraw/zinc/17/74/36/231177436.db2.gz SRJUYGMSYBIERZ-UHFFFAOYSA-N 0 0 390.505 3.398 40 0 GGABRN Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000409196584 231177996 /nfs/dbraw/zinc/17/79/96/231177996.db2.gz WMBNOUGIWKGVFN-UHFFFAOYSA-N 0 0 376.478 3.089 40 0 GGABRN O=C(CN1C(=O)S/C(=C/c2ccc[nH]2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409217723 231182518 /nfs/dbraw/zinc/18/25/18/231182518.db2.gz APKNCXFNYAZASR-NTUHNPAUSA-N 0 0 379.800 3.482 40 0 GGABRN O=C(CN1C(=O)S/C(=C/c2ccccc2F)C1=O)N1CCc2ccccc2C1 ZINC000409314422 231190029 /nfs/dbraw/zinc/19/00/29/231190029.db2.gz SPJODOXMCLKSDJ-WOJGMQOQSA-N 0 0 396.443 3.447 40 0 GGABRN O=C(c1ccncc1)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)C(F)(F)F ZINC000409335542 231192207 /nfs/dbraw/zinc/19/22/07/231192207.db2.gz JWOBKQMCJZCZCZ-HNNXBMFYSA-N 0 0 385.292 3.218 40 0 GGABRN Cc1cccc(C)c1OCc1nnc(SCC(=O)NCc2ccccc2)n1C ZINC000409348568 231193636 /nfs/dbraw/zinc/19/36/36/231193636.db2.gz OTRUDQHMGFLXAO-UHFFFAOYSA-N 0 0 396.516 3.419 40 0 GGABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)cc1C ZINC000409380300 231198565 /nfs/dbraw/zinc/19/85/65/231198565.db2.gz BLKDGNWSLCGOMC-UHFFFAOYSA-N 0 0 388.489 3.105 40 0 GGABRN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2C)cc1 ZINC000409387624 231199251 /nfs/dbraw/zinc/19/92/51/231199251.db2.gz ASWHNYGJYAZKCT-UHFFFAOYSA-N 0 0 376.478 3.008 40 0 GGABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCC(C)C)c(C)c2)cc1 ZINC000409386410 231199295 /nfs/dbraw/zinc/19/92/95/231199295.db2.gz NISKPPKPSVEZEO-UHFFFAOYSA-N 0 0 390.505 3.255 40 0 GGABRN Cc1ccc(N([C@@H](C)C(=O)NCCC2=CCCCC2)S(C)(=O)=O)cc1C ZINC000409409539 231201611 /nfs/dbraw/zinc/20/16/11/231201611.db2.gz HTASBWVXPNMVKZ-KRWDZBQOSA-N 0 0 378.538 3.465 40 0 GGABRN Cc1ccc(N([C@@H](C)C(=O)NCc2ccccc2Cl)S(C)(=O)=O)cc1C ZINC000409411702 231202430 /nfs/dbraw/zinc/20/24/30/231202430.db2.gz KEWOMDMWXSVING-HNNXBMFYSA-N 0 0 394.924 3.428 40 0 GGABRN COc1ccc(CN(C(=O)C(C)C)[C@H](C)C(=O)NCCc2ccccc2)cc1 ZINC000222985472 222621904 /nfs/dbraw/zinc/62/19/04/222621904.db2.gz NGJVZHPOCATJOZ-GOSISDBHSA-N 0 0 382.504 3.427 40 0 GGABRN C[C@@H]1Cc2cc(Br)ccc2N1C(=O)c1cnc2sccn2c1=O ZINC000223034436 222623751 /nfs/dbraw/zinc/62/37/51/222623751.db2.gz PEEDOXULJTYXEN-SECBINFHSA-N 0 0 390.262 3.110 40 0 GGABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 ZINC000223039574 222624793 /nfs/dbraw/zinc/62/47/93/222624793.db2.gz BJYSOVKWZCFLCD-WOJBJXKFSA-N 0 0 393.516 3.276 40 0 GGABRN CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2C)C1 ZINC000408653115 529594269 /nfs/dbraw/zinc/59/42/69/529594269.db2.gz IBVUCHGIPFPAIK-GOSISDBHSA-N 0 0 394.471 3.401 40 0 GGABRN CCc1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000408553226 529598469 /nfs/dbraw/zinc/59/84/69/529598469.db2.gz PEIHITRGYFATLZ-GFCCVEGCSA-N 0 0 396.896 3.217 40 0 GGABRN CCc1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC ZINC000408605402 529599139 /nfs/dbraw/zinc/59/91/39/529599139.db2.gz KBPXMMPQTIPRLS-GFCCVEGCSA-N 0 0 396.896 3.217 40 0 GGABRN CCc1ccc(C2=NN(C(=O)c3cccc(O)c3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000409101302 529618761 /nfs/dbraw/zinc/61/87/61/529618761.db2.gz XSHLTKMOBRTLFI-SFHVURJKSA-N 0 0 378.350 3.456 40 0 GGABRN CCc1ccc(C2=NN(C(=O)c3ccc(O)cc3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000409099503 529618819 /nfs/dbraw/zinc/61/88/19/529618819.db2.gz TWGMDJGOZNKAOI-GOSISDBHSA-N 0 0 378.350 3.456 40 0 GGABRN CC[C@@H](NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccccc1 ZINC000113956909 529657157 /nfs/dbraw/zinc/65/71/57/529657157.db2.gz QIZLBKMBKPTFNE-SCLBCKFNSA-N 0 0 396.459 3.387 40 0 GGABRN CCc1ccc(CNC(=O)C(=O)Nc2ccc(Br)cc2F)cc1 ZINC000192676465 529646771 /nfs/dbraw/zinc/64/67/71/529646771.db2.gz QRSPHTJKWVDHPW-UHFFFAOYSA-N 0 0 379.229 3.406 40 0 GGABRN CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)N[C@H](C)CC)cc1 ZINC000408709999 529650716 /nfs/dbraw/zinc/65/07/16/529650716.db2.gz KPYAUQKQJHPHBP-OAHLLOKOSA-N 0 0 381.476 3.032 40 0 GGABRN C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1 ZINC000223094166 222625794 /nfs/dbraw/zinc/62/57/94/222625794.db2.gz DMUMHGIPVDROBU-SFHVURJKSA-N 0 0 382.504 3.440 40 0 GGABRN CCc1ccc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)NC)cc1 ZINC000223094328 222626175 /nfs/dbraw/zinc/62/61/75/222626175.db2.gz TUTWOFPCBOKYDA-OAQYLSRUSA-N 0 0 382.504 3.490 40 0 GGABRN CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(-c4ccc(OC)cc4)nn32)cc1 ZINC000010153498 529685137 /nfs/dbraw/zinc/68/51/37/529685137.db2.gz DFUZGYKIYCMRPL-KRWDZBQOSA-N 0 0 391.431 3.038 40 0 GGABRN CCc1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)cc1 ZINC000408593928 529688860 /nfs/dbraw/zinc/68/88/60/529688860.db2.gz QQJJGMOJMQCXDW-HNNXBMFYSA-N 0 0 390.505 3.342 40 0 GGABRN COc1cccc(-c2noc(CNC(=O)CCc3ccc(OC)c(C)c3)n2)c1 ZINC000223151779 222627739 /nfs/dbraw/zinc/62/77/39/222627739.db2.gz XXYGVEUHMVJRHR-UHFFFAOYSA-N 0 0 381.432 3.311 40 0 GGABRN Cc1c(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cccc1N(C)S(C)(=O)=O ZINC000223241543 222628238 /nfs/dbraw/zinc/62/82/38/222628238.db2.gz LIYAVSBYHPZZEG-HNNXBMFYSA-N 0 0 386.517 3.371 40 0 GGABRN CCc1ccc(OCC(=O)NC(=S)Nc2ccc(Br)cn2)cc1 ZINC000006367132 529694133 /nfs/dbraw/zinc/69/41/33/529694133.db2.gz YPPBPEXKCLFRBY-UHFFFAOYSA-N 0 0 394.294 3.299 40 0 GGABRN CCc1ccc(OCc2nnc(SCC(=O)Nc3nccs3)o2)cc1 ZINC000409347325 529695069 /nfs/dbraw/zinc/69/50/69/529695069.db2.gz PHMBMCBYAWKNRY-UHFFFAOYSA-N 0 0 376.463 3.398 40 0 GGABRN COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccco1 ZINC000223339036 222630205 /nfs/dbraw/zinc/63/02/05/222630205.db2.gz YWVFDODOCCFGFZ-MOPGFXCFSA-N 0 0 382.489 3.295 40 0 GGABRN COCCCNC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1F ZINC000223333030 222630371 /nfs/dbraw/zinc/63/03/71/222630371.db2.gz LMFIFVYTMWPXDQ-UHFFFAOYSA-N 0 0 378.831 3.427 40 0 GGABRN Cc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1NS(C)(=O)=O ZINC000223330734 222630536 /nfs/dbraw/zinc/63/05/36/222630536.db2.gz IJFPEFZMOSIVIH-UHFFFAOYSA-N 0 0 388.474 3.137 40 0 GGABRN CCc1ccc(CC)c(CNC(=O)CN(c2ccccc2C)S(C)(=O)=O)c1 ZINC000223353032 222631501 /nfs/dbraw/zinc/63/15/01/222631501.db2.gz BTJHVDJPSKIPIJ-UHFFFAOYSA-N 0 0 388.533 3.202 40 0 GGABRN CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000017321766 529703060 /nfs/dbraw/zinc/70/30/60/529703060.db2.gz BHJLZOWBHFDTJR-NSHDSACASA-N 0 0 393.336 3.309 40 0 GGABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223416586 222632740 /nfs/dbraw/zinc/63/27/40/222632740.db2.gz FOHXEGFQVILGPD-OAQYLSRUSA-N 0 0 382.504 3.408 40 0 GGABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCOC)c1ccccc1 ZINC000223480657 222633939 /nfs/dbraw/zinc/63/39/39/222633939.db2.gz ZDUYWVAGGOGEBM-NRFANRHFSA-N 0 0 386.467 3.458 40 0 GGABRN CCS(=O)(=O)Nc1ccc(C(=O)NCCOc2cccc3ccccc32)cc1 ZINC000223536568 222635306 /nfs/dbraw/zinc/63/53/06/222635306.db2.gz LXBIIFAZSVBATH-UHFFFAOYSA-N 0 0 398.484 3.410 40 0 GGABRN CN(C)c1cc2c(cc1NC(=O)Cc1cccc3ccccc31)n(C)c(=O)n2C ZINC000408537083 529774471 /nfs/dbraw/zinc/77/44/71/529774471.db2.gz ZAXIJUVHUGIYAN-UHFFFAOYSA-N 0 0 388.471 3.277 40 0 GGABRN Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1 ZINC000223570049 222637130 /nfs/dbraw/zinc/63/71/30/222637130.db2.gz AWYYAFOCYKFUFP-PMACEKPBSA-N 0 0 378.501 3.146 40 0 GGABRN CCc1cc(S(=O)(=O)NCc2nc(-c3ccccc3C)no2)ccc1OC ZINC000223621897 222637572 /nfs/dbraw/zinc/63/75/72/222637572.db2.gz AOXKSZRSUPRDKL-UHFFFAOYSA-N 0 0 387.461 3.095 40 0 GGABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 ZINC000223639287 222637678 /nfs/dbraw/zinc/63/76/78/222637678.db2.gz DQNKOANSBOZXBE-LSDHHAIUSA-N 0 0 381.910 3.332 40 0 GGABRN CN(Cc1nc(-c2cccc(Cl)c2)no1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000223634257 222637740 /nfs/dbraw/zinc/63/77/40/222637740.db2.gz HQEYEGCRJMFSIW-UHFFFAOYSA-N 0 0 395.843 3.491 40 0 GGABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 ZINC000223647583 222638153 /nfs/dbraw/zinc/63/81/53/222638153.db2.gz RQZKIEDKBPGREM-MSOLQXFVSA-N 0 0 386.521 3.174 40 0 GGABRN OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Br)s1 ZINC000223603481 222638201 /nfs/dbraw/zinc/63/82/01/222638201.db2.gz WGPPAYJJYBMAPG-UONOGXRCSA-N 0 0 398.351 3.261 40 0 GGABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 ZINC000223684365 222639248 /nfs/dbraw/zinc/63/92/48/222639248.db2.gz KZXRFUWFIWWMIN-ROUUACIJSA-N 0 0 386.521 3.174 40 0 GGABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223679026 222639428 /nfs/dbraw/zinc/63/94/28/222639428.db2.gz IYKHVHZVJKHAPW-KRWDZBQOSA-N 0 0 396.487 3.210 40 0 GGABRN COC(=O)CSc1nnc(NC(=O)CCSCc2ccccc2)s1 ZINC000223653211 222639783 /nfs/dbraw/zinc/63/97/83/222639783.db2.gz QIFIRSWSLCWDFM-UHFFFAOYSA-N 0 0 383.520 3.065 40 0 GGABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)s1 ZINC000223710795 222640692 /nfs/dbraw/zinc/64/06/92/222640692.db2.gz OHVUOVLUCBERRU-SJORKVTESA-N 0 0 375.519 3.377 40 0 GGABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C(C)C ZINC000223729739 222642564 /nfs/dbraw/zinc/64/25/64/222642564.db2.gz JHJWKILIBGTYJQ-MOPGFXCFSA-N 0 0 386.521 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CCOC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2C(N)=O)cc1C ZINC000011190176 221112290 /nfs/dbraw/zinc/11/22/90/221112290.db2.gz QWXKUWSPCGSDRP-UHFFFAOYSA-N 0 0 396.852 3.003 40 0 GGABRN Nc1nc(COC(=O)Cc2csc(-c3ccccn3)n2)nc2ccccc12 ZINC000011396579 221114350 /nfs/dbraw/zinc/11/43/50/221114350.db2.gz WBQVWWVCSVOOFN-UHFFFAOYSA-N 0 0 377.429 3.016 40 0 GGABRN O=C(OCc1nnnn1Cc1ccccc1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000011366152 221114857 /nfs/dbraw/zinc/11/48/57/221114857.db2.gz XJEXHZPMAVZNAF-UHFFFAOYSA-N 0 0 387.443 3.439 40 0 GGABRN O=C(COC(=O)c1ccc(Cl)cc1F)Nc1cccc(C(=O)NC2CC2)c1 ZINC000011369310 221115096 /nfs/dbraw/zinc/11/50/96/221115096.db2.gz ZKVOYVODCOSWDX-UHFFFAOYSA-N 0 0 390.798 3.167 40 0 GGABRN COc1ccc2c(COC(=O)c3cc(=O)[nH]c4ccccc43)cc(=O)oc2c1 ZINC000011459875 221116362 /nfs/dbraw/zinc/11/63/62/221116362.db2.gz OXOWLKFDGGMZFN-UHFFFAOYSA-N 0 0 377.352 3.000 40 0 GGABRN CSc1ncc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2c(F)cccc2F)n1 ZINC000011575405 221117072 /nfs/dbraw/zinc/11/70/72/221117072.db2.gz 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ZINC000011964919 221140332 /nfs/dbraw/zinc/14/03/32/221140332.db2.gz ONXYLAIVKGBOPM-UHFFFAOYSA-N 0 0 398.463 3.404 40 0 GGABRN O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(N4CCCCCC4)cc3)cc2[nH]1 ZINC000012147734 221160806 /nfs/dbraw/zinc/16/08/06/221160806.db2.gz QUIDVGCBHWGIIC-UHFFFAOYSA-N 0 0 386.477 3.037 40 0 GGABRN CCn1c2cc(C)sc2c2cnn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)c21 ZINC000012156903 221160850 /nfs/dbraw/zinc/16/08/50/221160850.db2.gz RBBOGACLQCRCNT-CHWSQXEVSA-N 0 0 386.521 3.246 40 0 GGABRN COc1cccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)N2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000012085280 221147705 /nfs/dbraw/zinc/14/77/05/221147705.db2.gz HHTAJJBPTQAGSL-PTSWNOGYSA-N 0 0 391.464 3.455 40 0 GGABRN C[C@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000012084918 221148137 /nfs/dbraw/zinc/14/81/37/221148137.db2.gz SKXJTSNLFYSGSK-CYBMUJFWSA-N 0 0 393.409 3.350 40 0 GGABRN COc1cccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000012085307 221148575 /nfs/dbraw/zinc/14/85/75/221148575.db2.gz HHTAJJBPTQAGSL-IIMJZQEZSA-N 0 0 391.464 3.455 40 0 GGABRN O=C(CCn1cncn1)N1[C@@H]2CC[C@@H](C2)[C@@H]1COc1cccc(C(F)(F)F)c1 ZINC000012085327 221148917 /nfs/dbraw/zinc/14/89/17/221148917.db2.gz MDYIUZYDFOEXSR-LXZKKBNFSA-N 0 0 394.397 3.146 40 0 GGABRN Cc1cc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)on1 ZINC000012087335 221149060 /nfs/dbraw/zinc/14/90/60/221149060.db2.gz RUMSEORMSPTITL-OAHLLOKOSA-N 0 0 394.431 3.051 40 0 GGABRN CC(=O)N1CCN(c2ccc(NCc3cc4ccc(C)cc4[nH]c3=O)cc2)CC1 ZINC000012088276 221149658 /nfs/dbraw/zinc/14/96/58/221149658.db2.gz HMVOCXXNZMSXSZ-UHFFFAOYSA-N 0 0 390.487 3.117 40 0 GGABRN Cc1nn(CCC(=O)N[C@@H]2CC3(CCOCC3)Oc3ccccc32)c(C)c1C ZINC000012087001 221149676 /nfs/dbraw/zinc/14/96/76/221149676.db2.gz QJYUJQHJQHEBLF-LJQANCHMSA-N 0 0 383.492 3.388 40 0 GGABRN C[C@]12CC[C@H](C[C@@H]1C(=O)NCc1ccncc1)[C@@]1(C2)NC(=O)c2ccccc2O1 ZINC000012089497 221149691 /nfs/dbraw/zinc/14/96/91/221149691.db2.gz RDLDVGPEVDFKKM-ZDZLMVPKSA-N 0 0 391.471 3.043 40 0 GGABRN O=C(CCc1cc(Cl)no1)N[C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000012086953 221149706 /nfs/dbraw/zinc/14/97/06/221149706.db2.gz DNFDSAOVOLMQHG-OAHLLOKOSA-N 0 0 376.840 3.450 40 0 GGABRN CCOC(=O)[C@]12CCC[C@H]1N(C(=O)Cn1c(C)nc3ccccc31)CC=CC2 ZINC000012089242 221149843 /nfs/dbraw/zinc/14/98/43/221149843.db2.gz AYNUVNANZUPTNA-DENIHFKCSA-N 0 0 381.476 3.235 40 0 GGABRN O=C(CCc1cc(Cl)no1)N[C@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000012086954 221149898 /nfs/dbraw/zinc/14/98/98/221149898.db2.gz DNFDSAOVOLMQHG-HNNXBMFYSA-N 0 0 376.840 3.450 40 0 GGABRN C[C@@H](C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1)n1ncc2ccccc2c1=O ZINC000012116061 221151592 /nfs/dbraw/zinc/15/15/92/221151592.db2.gz FSEHQAKULAZROI-IFXJQAMLSA-N 0 0 387.443 3.198 40 0 GGABRN Cn1c2ccccc2nc1N1CCC[C@@H](C(=O)NCCc2ccc(F)cc2)C1 ZINC000012116440 221151658 /nfs/dbraw/zinc/15/16/58/221151658.db2.gz SYNFTWUARZTPFP-QGZVFWFLSA-N 0 0 380.467 3.288 40 0 GGABRN COc1ccc(NC(=O)CN2CCC3(CC2)CC(=O)c2cc(C)ccc2O3)cc1 ZINC000012113640 221151803 /nfs/dbraw/zinc/15/18/03/221151803.db2.gz COGJPELWZIEAOD-UHFFFAOYSA-N 0 0 394.471 3.442 40 0 GGABRN O=C(CN1CCC(O)(c2ccccn2)CC1)Nc1ccccc1C(F)(F)F ZINC000012114379 221151808 /nfs/dbraw/zinc/15/18/08/221151808.db2.gz DSINLUXRVMUZKZ-UHFFFAOYSA-N 0 0 379.382 3.023 40 0 GGABRN COc1ccc(CC(=O)N2CCC(c3n[nH]cc3-c3ccncc3)CC2)cc1 ZINC000012115963 221151920 /nfs/dbraw/zinc/15/19/20/221151920.db2.gz AABOUTLGYWPIEM-UHFFFAOYSA-N 0 0 376.460 3.429 40 0 GGABRN CCn1cc(C(=O)N2CCC[C@H](c3nc(C)ncc3-c3ccncc3)C2)c(C)n1 ZINC000012117231 221151961 /nfs/dbraw/zinc/15/19/61/221151961.db2.gz HJHZMZNRSDGZEV-SFHVURJKSA-N 0 0 390.491 3.392 40 0 GGABRN O=C(NCCc1nnc(-c2ccncc2)[nH]1)C1(c2ccc(Cl)cc2)CCC1 ZINC000012114873 221151966 /nfs/dbraw/zinc/15/19/66/221151966.db2.gz DPQDCQGHSJFAAI-UHFFFAOYSA-N 0 0 381.867 3.301 40 0 GGABRN COc1cccc(NC(=O)CN2CCC3(CC2)CC(=O)c2ccccc2O3)c1 ZINC000012113635 221151976 /nfs/dbraw/zinc/15/19/76/221151976.db2.gz WWUGVCISYTYXBW-UHFFFAOYSA-N 0 0 380.444 3.134 40 0 GGABRN CCn1c(=O)n(CC(=O)Nc2cccc(-c3ccc(C)o3)c2)c2cccnc21 ZINC000012117488 221151996 /nfs/dbraw/zinc/15/19/96/221151996.db2.gz CBPCFPVFGILSCM-UHFFFAOYSA-N 0 0 376.416 3.425 40 0 GGABRN Cn1c2ccccc2nc1N1CCC[C@H](C(=O)NCCc2cccc(F)c2)C1 ZINC000012116455 221152075 /nfs/dbraw/zinc/15/20/75/221152075.db2.gz FHCCGEPGZQUGJU-KRWDZBQOSA-N 0 0 380.467 3.288 40 0 GGABRN CCn1c(=O)n(CC(=O)Nc2ccccc2-c2ccc(C)o2)c2cccnc21 ZINC000012117486 221152148 /nfs/dbraw/zinc/15/21/48/221152148.db2.gz YQLBXVOPGHCDJU-UHFFFAOYSA-N 0 0 376.416 3.425 40 0 GGABRN CCCc1nc2cc(NC(=O)COc3ncnc4ccccc43)ccc2n1C ZINC000012116909 221152150 /nfs/dbraw/zinc/15/21/50/221152150.db2.gz QTOCPGFNEYEDCQ-UHFFFAOYSA-N 0 0 375.432 3.487 40 0 GGABRN Cc1cc2c(o1)c1cnn(CC(=O)N[C@H](C)c3ccccn3)c(=O)c1n2C(C)C ZINC000012117745 221152211 /nfs/dbraw/zinc/15/22/11/221152211.db2.gz DHFPCXBMGQXJED-CQSZACIVSA-N 0 0 393.447 3.106 40 0 GGABRN COc1ccc(CC(=O)N2CCC[C@H](c3n[nH]cc3-c3ccncc3)C2)cc1 ZINC000012115944 221152255 /nfs/dbraw/zinc/15/22/55/221152255.db2.gz IKKDKNDAFGHISP-SFHVURJKSA-N 0 0 376.460 3.429 40 0 GGABRN O=C(Cn1c2ccccc2c2ccccc21)NCCc1nnc(-c2ccncc2)[nH]1 ZINC000012115833 221152302 /nfs/dbraw/zinc/15/23/02/221152302.db2.gz CFSMAYAZYSKLSQ-UHFFFAOYSA-N 0 0 396.454 3.334 40 0 GGABRN COc1ccccc1CNC(=O)[C@@H]1CCCN(c2nc3ccccc3n2C)C1 ZINC000012116436 221152336 /nfs/dbraw/zinc/15/23/36/221152336.db2.gz JEHGBWJRFWVFCE-QGZVFWFLSA-N 0 0 378.476 3.115 40 0 GGABRN COc1ccc(-c2cnc(NC(=O)COc3cccc4nsnc43)n2C)cc1 ZINC000012116892 221152402 /nfs/dbraw/zinc/15/24/02/221152402.db2.gz SMLRXMJXTCSHAE-UHFFFAOYSA-N 0 0 395.444 3.118 40 0 GGABRN CCN(CC)C(=O)CN1N=C(c2ccccc2)Cn2c3ccsc3cc2C1=O ZINC000012113589 221152410 /nfs/dbraw/zinc/15/24/10/221152410.db2.gz LPNXJPRWSBAKRK-UHFFFAOYSA-N 0 0 394.500 3.431 40 0 GGABRN O=C(CN1Cc2ccccc2C1)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 ZINC000012118537 221152789 /nfs/dbraw/zinc/15/27/89/221152789.db2.gz UVLNGCKPWXNUHR-OAQYLSRUSA-N 0 0 399.498 3.260 40 0 GGABRN Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)on1 ZINC000012118401 221153133 /nfs/dbraw/zinc/15/31/33/221153133.db2.gz XOMRMHOKHFZZDN-OAHLLOKOSA-N 0 0 392.415 3.189 40 0 GGABRN Cc1cc(-c2cncnc2C2CCN(C(=O)CCn3nc(C)cc3C)CC2)on1 ZINC000012118316 221153533 /nfs/dbraw/zinc/15/35/33/221153533.db2.gz OJOZZDDMZFCXAM-UHFFFAOYSA-N 0 0 394.479 3.050 40 0 GGABRN CCCSc1ncc(CN2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cn1 ZINC000012122256 221154369 /nfs/dbraw/zinc/15/43/69/221154369.db2.gz WYYGBBTVFVFETD-UHFFFAOYSA-N 0 0 394.504 3.095 40 0 GGABRN COc1ccc(CNC(=O)[C@H]2[C@@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)cc1 ZINC000012122217 221154411 /nfs/dbraw/zinc/15/44/11/221154411.db2.gz OTQBAGSNYKRHHM-RBPBXQJFSA-N 0 0 377.440 3.372 40 0 GGABRN COc1ccccc1CCC(=O)N1Cc2ccccc2OC[C@H]1Cn1ccnc1 ZINC000012128229 221156249 /nfs/dbraw/zinc/15/62/49/221156249.db2.gz UAEUURHELWRMFN-HXUWFJFHSA-N 0 0 391.471 3.314 40 0 GGABRN O=C([C@@H]1CCCO1)N1CCC(c2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000012129105 221156468 /nfs/dbraw/zinc/15/64/68/221156468.db2.gz XIUJLYJPMHHPAV-AWEZNQCLSA-N 0 0 387.505 3.161 40 0 GGABRN O=C(CCc1ccccc1)N1CCC(n2nc(-c3ccco3)ccc2=O)CC1 ZINC000012129207 221156595 /nfs/dbraw/zinc/15/65/95/221156595.db2.gz XKKKPYQOQBFAOK-UHFFFAOYSA-N 0 0 377.444 3.300 40 0 GGABRN COc1ccc(CN2Cc3ccccc3OC[C@H]2Cn2ccnc2)c(OC)c1 ZINC000012128390 221156611 /nfs/dbraw/zinc/15/66/11/221156611.db2.gz WPTRDUGGWGCQKS-LJQANCHMSA-N 0 0 379.460 3.364 40 0 GGABRN O=C(c1cc(-c2ccco2)on1)N1C[C@H]2[C@H](CC[C@]2(O)c2ccccc2F)C1 ZINC000012123026 221156746 /nfs/dbraw/zinc/15/67/46/221156746.db2.gz URMCBOUKHKRCBE-CGSMKXTHSA-N 0 0 382.391 3.444 40 0 GGABRN O=C(Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCCC2)c1cccs1 ZINC000012130684 221157404 /nfs/dbraw/zinc/15/74/04/221157404.db2.gz QGOBYTJTBRPYLT-UHFFFAOYSA-N 0 0 381.461 3.026 40 0 GGABRN Cn1ccnc1[C@@H](O)c1ccccc1N1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000012143363 221158353 /nfs/dbraw/zinc/15/83/53/221158353.db2.gz LYVLCFYMZQGDTO-NRFANRHFSA-N 0 0 398.457 3.102 40 0 GGABRN Cc1nc2c(c(=O)[nH]1)CN(C(=O)CC1c3ccccc3Oc3ccccc31)CC2 ZINC000012143175 221158470 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O=C([C@@H]1CCCO1)N1CCC[C@@H](c2nc(=O)c3c4c(sc3[nH]2)CCCC4)C1 ZINC000012144827 221159227 /nfs/dbraw/zinc/15/92/27/221159227.db2.gz DCXFXRQJUZMDBY-OCCSQVGLSA-N 0 0 387.505 3.161 40 0 GGABRN Cc1ccc(C2(C(=O)N3CCC4(CC3)NC(=O)c3ccccc3O4)CC2)cc1 ZINC000012145780 221159232 /nfs/dbraw/zinc/15/92/32/221159232.db2.gz LKSLNJWMZMDTQC-UHFFFAOYSA-N 0 0 376.456 3.168 40 0 GGABRN COc1ccc(C2(C(=O)N[C@H](C)Cn3nnc4cc(C)c(C)cc43)CC2)cc1 ZINC000012145312 221159285 /nfs/dbraw/zinc/15/92/85/221159285.db2.gz LFSKATRZMVQYEH-MRXNPFEDSA-N 0 0 378.476 3.293 40 0 GGABRN CCn1c2cc(C)sc2c2cnn(CC(=O)NCc3ccc(F)cc3)c(=O)c21 ZINC000012142710 221159310 /nfs/dbraw/zinc/15/93/10/221159310.db2.gz JSVYLPLNJURMRK-UHFFFAOYSA-N 0 0 398.463 3.197 40 0 GGABRN CN(C)c1ccc(C(=O)N2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000012144215 221159334 /nfs/dbraw/zinc/15/93/34/221159334.db2.gz DBCAMQXDMMPZIA-QGZVFWFLSA-N 0 0 377.448 3.217 40 0 GGABRN CCN(CC)C(=O)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000012155960 221159842 /nfs/dbraw/zinc/15/98/42/221159842.db2.gz POCMWYVTLSVYKM-UHFFFAOYSA-N 0 0 386.471 3.223 40 0 GGABRN Cc1cc(C)n(C[C@H](O)CN(Cc2ccco2)Cc2nc3ccccc3[nH]2)n1 ZINC000012147049 221160011 /nfs/dbraw/zinc/16/00/11/221160011.db2.gz QCZBXUJGYFXLOF-QGZVFWFLSA-N 0 0 379.464 3.033 40 0 GGABRN CCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc2c(cc(C)n2CC)c1 ZINC000012148370 221160117 /nfs/dbraw/zinc/16/01/17/221160117.db2.gz DQLTWGBOUDUTHH-UHFFFAOYSA-N 0 0 393.491 3.411 40 0 GGABRN Cc1c(C(=O)N[C@@H](c2ccccc2)c2cccnc2)sc2ncn(C)c(=O)c12 ZINC000012148293 221160218 /nfs/dbraw/zinc/16/02/18/221160218.db2.gz TWDVHZGDYKJVBC-KRWDZBQOSA-N 0 0 390.468 3.218 40 0 GGABRN Cc1cc(-c2cc(=O)n(CC(=O)N[C@H](C)C(C)C)nc2-c2cccs2)on1 ZINC000012155305 221160313 /nfs/dbraw/zinc/16/03/13/221160313.db2.gz DWTGTUCAWCNTNA-CYBMUJFWSA-N 0 0 386.477 3.096 40 0 GGABRN COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)c4ccco4)CC3)n2)cc1 ZINC000012155921 221160582 /nfs/dbraw/zinc/16/05/82/221160582.db2.gz OKJJZGJAJWRPAQ-UHFFFAOYSA-N 0 0 393.443 3.064 40 0 GGABRN Cc1nccn1CCC1CCN(C(=O)c2cccc(N3CCCC3=O)c2)CC1 ZINC000012147509 221160592 /nfs/dbraw/zinc/16/05/92/221160592.db2.gz SVOQTYKMYCGXBB-UHFFFAOYSA-N 0 0 380.492 3.261 40 0 GGABRN Cc1cccc(C2(O)CCN(C(=O)CCCOc3ccc4c(c3)OCO4)CC2)c1 ZINC000012290255 221174929 /nfs/dbraw/zinc/17/49/29/221174929.db2.gz SBRATPVJARSYLO-UHFFFAOYSA-N 0 0 397.471 3.393 40 0 GGABRN CCOc1ccc(CC(=O)N2CCC(c3noc(-c4ccccn4)n3)CC2)cc1 ZINC000012275723 221174933 /nfs/dbraw/zinc/17/49/33/221174933.db2.gz ODWPOWGLGBAJGK-UHFFFAOYSA-N 0 0 392.459 3.479 40 0 GGABRN Cc1ccc(C2(O)CCN(CCNC(=O)c3cc4c(s3)CCC4)CC2)cc1 ZINC000012291110 221175020 /nfs/dbraw/zinc/17/50/20/221175020.db2.gz OROCQHPVZWBEEO-UHFFFAOYSA-N 0 0 384.545 3.259 40 0 GGABRN CCOc1cc(CCC(=O)N2CCc3onc(-c4cccc(OC)c4)c3C2)on1 ZINC000012275614 221175052 /nfs/dbraw/zinc/17/50/52/221175052.db2.gz ISQZCMAYGXBYDS-UHFFFAOYSA-N 0 0 397.431 3.254 40 0 GGABRN COc1cccc(CNC(=O)[C@H]2[C@@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)c1 ZINC000012329786 221182455 /nfs/dbraw/zinc/18/24/55/221182455.db2.gz DZWMVAUITTZWHA-RBPBXQJFSA-N 0 0 377.440 3.372 40 0 GGABRN COc1cccc(CC(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)c1 ZINC000012329625 221182570 /nfs/dbraw/zinc/18/25/70/221182570.db2.gz PXNAJARJQRVDOH-UHFFFAOYSA-N 0 0 378.432 3.089 40 0 GGABRN Cc1onc(-c2ccncc2)c1C(=O)N1CCC(O)(c2ccccc2C)CC1 ZINC000012325338 221183004 /nfs/dbraw/zinc/18/30/04/221183004.db2.gz JXUNEQWFSRCCRA-UHFFFAOYSA-N 0 0 377.444 3.477 40 0 GGABRN Cc1onc(-c2ccncc2)c1C(=O)N1CCC(COc2ccccn2)CC1 ZINC000012325801 221183085 /nfs/dbraw/zinc/18/30/85/221183085.db2.gz ANZMPAIQVZFEFQ-UHFFFAOYSA-N 0 0 378.432 3.371 40 0 GGABRN CCOc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(CCC2=CCCCC2)C3)cc1 ZINC000012346369 221184067 /nfs/dbraw/zinc/18/40/67/221184067.db2.gz DLCQWNPWEMPXPX-FQEVSTJZSA-N 0 0 381.476 3.426 40 0 GGABRN Cc1cc(C)cc(O[C@H](C)C(=O)N2CCC[C@@H](c3nn(C)c4nccnc34)C2)c1 ZINC000012365153 221184374 /nfs/dbraw/zinc/18/43/74/221184374.db2.gz PYKMMEFCWRLDKL-IAGOWNOFSA-N 0 0 393.491 3.154 40 0 GGABRN COc1cc(CCC(=O)N2CCC[C@@H](c3nn(C)c4nccnc34)C2)ccc1C ZINC000012365145 221184379 /nfs/dbraw/zinc/18/43/79/221184379.db2.gz QZFGTCDXJLKWRV-QGZVFWFLSA-N 0 0 393.491 3.019 40 0 GGABRN O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@H](c2[nH]nc3nccnc32)C1 ZINC000012365066 221184401 /nfs/dbraw/zinc/18/44/01/221184401.db2.gz MKDWILLVOXWLNE-LBPRGKRZSA-N 0 0 375.354 3.392 40 0 GGABRN Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCC[C@H](c3nn(C)c4nccnc34)C2)c1 ZINC000012365156 221184828 /nfs/dbraw/zinc/18/48/28/221184828.db2.gz PYKMMEFCWRLDKL-IRXDYDNUSA-N 0 0 393.491 3.154 40 0 GGABRN Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)NCc1cnc2ccccc2c1 ZINC000012362558 221185094 /nfs/dbraw/zinc/18/50/94/221185094.db2.gz YWFREVROZMIVDK-UHFFFAOYSA-N 0 0 395.484 3.149 40 0 GGABRN CC(=O)N[C@@H](c1nccs1)C1CCN(C(=O)c2c(C)onc2C(C)C)CC1 ZINC000012365770 221185158 /nfs/dbraw/zinc/18/51/58/221185158.db2.gz RDAWMNFDAHWMRE-QGZVFWFLSA-N 0 0 390.509 3.293 40 0 GGABRN Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCC[C@@H](c3nn(C)c4nccnc34)C2)c1 ZINC000012365154 221185297 /nfs/dbraw/zinc/18/52/97/221185297.db2.gz PYKMMEFCWRLDKL-DLBZAZTESA-N 0 0 393.491 3.154 40 0 GGABRN O=C(Cc1ccc(F)cc1)N1CCC(Cn2nc(-c3ccco3)ccc2=O)CC1 ZINC000012157991 221161325 /nfs/dbraw/zinc/16/13/25/221161325.db2.gz GKTROEUDXMJUEB-UHFFFAOYSA-N 0 0 395.434 3.124 40 0 GGABRN O=C(c1ccccc1F)N1CCC(Cn2nc(-c3ccco3)ccc2=O)CC1 ZINC000012157881 221161400 /nfs/dbraw/zinc/16/14/00/221161400.db2.gz QUHNNQWUONJFMA-UHFFFAOYSA-N 0 0 381.407 3.195 40 0 GGABRN Cc1ccc(C2(C(=O)NCCn3nc(-c4cccs4)ccc3=O)CC2)cc1 ZINC000012158240 221161508 /nfs/dbraw/zinc/16/15/08/221161508.db2.gz KSHMVVRQQWIFPR-UHFFFAOYSA-N 0 0 379.485 3.128 40 0 GGABRN O=C(Cc1ccsc1)N1CCC(Cn2nc(-c3ccco3)ccc2=O)CC1 ZINC000012158022 221161766 /nfs/dbraw/zinc/16/17/66/221161766.db2.gz OLYKPKPJEZQOGN-UHFFFAOYSA-N 0 0 383.473 3.046 40 0 GGABRN Cc1cc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)[C@@H]3C[C@H]3C)cc2)on1 ZINC000012159300 221161975 /nfs/dbraw/zinc/16/19/75/221161975.db2.gz QWLFZGMFCNRVMO-CXAGYDPISA-N 0 0 391.475 3.445 40 0 GGABRN CN1C(=O)S[C@H](CC(=O)N2[C@@H]3CC[C@H]2CC(c2ccc(F)cc2)C3)C1=O ZINC000012181141 221162390 /nfs/dbraw/zinc/16/23/90/221162390.db2.gz HVJUANVRUJBUSL-YPAMNDHTSA-N 0 0 376.453 3.147 40 0 GGABRN Cc1ccc(NC(=O)CSCC(=O)NC[C@H]2OCCc3ccccc32)cc1C ZINC000012183686 221162408 /nfs/dbraw/zinc/16/24/08/221162408.db2.gz PXJXUYORWHWASQ-HXUWFJFHSA-N 0 0 398.528 3.405 40 0 GGABRN CCCc1nn(CC(=O)N2[C@@H](C)CCC[C@@H]2C)c(=O)c2cc3ccsc3n21 ZINC000012181632 221162699 /nfs/dbraw/zinc/16/26/99/221162699.db2.gz UXPCJNWRUKLTDC-KBPBESRZSA-N 0 0 386.521 3.453 40 0 GGABRN Cc1ccc(C2(C(=O)N[C@H](Cn3nc(C4CC4)ccc3=O)C(C)C)CC2)cc1 ZINC000012183391 221162733 /nfs/dbraw/zinc/16/27/33/221162733.db2.gz POOXOZOEXCCBGY-HXUWFJFHSA-N 0 0 379.504 3.302 40 0 GGABRN CC(C)[C@@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)c1ccccn1 ZINC000012182888 221162775 /nfs/dbraw/zinc/16/27/75/221162775.db2.gz NICVCROWIWEDRO-LJQANCHMSA-N 0 0 398.413 3.038 40 0 GGABRN CCOC(=O)[C@H]1CCCN(c2nc(C)nc3c2CN(Cc2ccccc2)CC3)C1 ZINC000012183285 221162815 /nfs/dbraw/zinc/16/28/15/221162815.db2.gz GDQZQWSDJXHXCI-IBGZPJMESA-N 0 0 394.519 3.123 40 0 GGABRN CCCc1nn(CC(=O)N2[C@H](C)CCC[C@H]2C)c(=O)c2cc3ccsc3n21 ZINC000012181645 221162831 /nfs/dbraw/zinc/16/28/31/221162831.db2.gz UXPCJNWRUKLTDC-ZIAGYGMSSA-N 0 0 386.521 3.453 40 0 GGABRN C[C@@H]1CC(C)(C)N(C(=O)Cn2nc(-c3ccco3)cc(N)c2=O)c2ccccc21 ZINC000012181209 221162929 /nfs/dbraw/zinc/16/29/29/221162929.db2.gz XNSIGSHBJWSRET-CQSZACIVSA-N 0 0 392.459 3.405 40 0 GGABRN O=C(Cn1cnc2ccccc2c1=O)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 ZINC000012181103 221162997 /nfs/dbraw/zinc/16/29/97/221162997.db2.gz GYOVSHGSBQQYOW-JLYLLQBASA-N 0 0 391.446 3.473 40 0 GGABRN Cc1cc(C(=O)N2CCC([C@H](NC(=O)C(C)(C)C)c3nccs3)CC2)on1 ZINC000012365783 221185496 /nfs/dbraw/zinc/18/54/96/221185496.db2.gz HCGPLOJUZNWGLO-HNNXBMFYSA-N 0 0 390.509 3.195 40 0 GGABRN CCn1cc(C(=O)N2CCC[C@@H](n3c(=O)oc4ccc(Cl)cc43)C2)c(C)n1 ZINC000012184463 221163449 /nfs/dbraw/zinc/16/34/49/221163449.db2.gz BGAGHFFYLQTRCD-CQSZACIVSA-N 0 0 388.855 3.250 40 0 GGABRN Cc1nnsc1C(=O)N1CCC[C@@H](n2nnc3cc(C(F)(F)F)ccc32)C1 ZINC000012184917 221163740 /nfs/dbraw/zinc/16/37/40/221163740.db2.gz DUWBJUFYEAKIKL-LLVKDONJSA-N 0 0 396.398 3.087 40 0 GGABRN C[C@H](O)CN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccc2c(c1)OCO2 ZINC000012185784 221163914 /nfs/dbraw/zinc/16/39/14/221163914.db2.gz IFJFUFRJVXKPEZ-HNNXBMFYSA-N 0 0 383.423 3.123 40 0 GGABRN COc1ccc(C(=O)N2CCC(n3c4ccccc4oc3=O)CC2)cc1OC ZINC000012184583 221163928 /nfs/dbraw/zinc/16/39/28/221163928.db2.gz OZKTZTZSRSCUSQ-UHFFFAOYSA-N 0 0 382.416 3.089 40 0 GGABRN C[C@@H](O)CN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccc2c(c1)OCO2 ZINC000012185780 221164107 /nfs/dbraw/zinc/16/41/07/221164107.db2.gz IFJFUFRJVXKPEZ-OAHLLOKOSA-N 0 0 383.423 3.123 40 0 GGABRN Cc1cc(-c2cc(N)c(=O)n([C@@H](C)C(=O)N3c4ccccc4C[C@H]3C)n2)c(C)o1 ZINC000012183738 221164514 /nfs/dbraw/zinc/16/45/14/221164514.db2.gz HYJDSZZCWPMHTF-OCCSQVGLSA-N 0 0 392.459 3.241 40 0 GGABRN Cn1nccc1[C@@H](NC(=O)[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccccc1 ZINC000012194060 221164807 /nfs/dbraw/zinc/16/48/07/221164807.db2.gz AMJLPYFIEIEJKI-UXHICEINSA-N 0 0 394.862 3.472 40 0 GGABRN COc1ccccc1CN(Cc1ccnc(N2CCCC2)n1)C[C@H]1CCCO1 ZINC000012187607 221164957 /nfs/dbraw/zinc/16/49/57/221164957.db2.gz ICBJFIDDJDEXAE-HXUWFJFHSA-N 0 0 382.508 3.267 40 0 GGABRN CN(C)c1ncc(C(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)cc2)cn1 ZINC000012193128 221165314 /nfs/dbraw/zinc/16/53/14/221165314.db2.gz ANPQKNCGPLCHOJ-UHFFFAOYSA-N 0 0 378.388 3.316 40 0 GGABRN O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1cc2c([nH]c1=O)CCCCC2 ZINC000012193463 221165424 /nfs/dbraw/zinc/16/54/24/221165424.db2.gz CLDAPCODQLLUPA-UHFFFAOYSA-N 0 0 398.463 3.478 40 0 GGABRN O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000012200386 221166167 /nfs/dbraw/zinc/16/61/67/221166167.db2.gz YQACZIRMKHIUNY-UHFFFAOYSA-N 0 0 399.255 3.448 40 0 GGABRN O=C(NCc1nc(-c2ccccc2)no1)[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000012202624 221166548 /nfs/dbraw/zinc/16/65/48/221166548.db2.gz RTQYMYNTNQKWQM-MRXNPFEDSA-N 0 0 382.807 3.199 40 0 GGABRN Cc1ccccc1-c1noc([C@@H](C)NC(=O)CCN2Cc3ccccc3C2=O)n1 ZINC000012201074 221166814 /nfs/dbraw/zinc/16/68/14/221166814.db2.gz CDNKAWJKYUPOCO-OAHLLOKOSA-N 0 0 390.443 3.268 40 0 GGABRN O=C(CCN1Cc2ccccc2C1=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000012201270 221166865 /nfs/dbraw/zinc/16/68/65/221166865.db2.gz FHEIFUQTOCBHTE-UHFFFAOYSA-N 0 0 396.834 3.052 40 0 GGABRN O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000012200081 221166927 /nfs/dbraw/zinc/16/69/27/221166927.db2.gz JTHSJYHKWPCKQU-UHFFFAOYSA-N 0 0 398.362 3.160 40 0 GGABRN Cc1cc2c(ncn(CC(=O)NC3(c4ccccc4F)CCCC3)c2=O)s1 ZINC000012197942 221167169 /nfs/dbraw/zinc/16/71/69/221167169.db2.gz IQQRUIUXFMYJJK-UHFFFAOYSA-N 0 0 385.464 3.491 40 0 GGABRN CC1CCN(C(=O)COC(=O)COc2ccc3oc4c(c3c2)CCCC4)CC1 ZINC000012214422 221167772 /nfs/dbraw/zinc/16/77/72/221167772.db2.gz CMEXZRIQFZGALB-UHFFFAOYSA-N 0 0 385.460 3.492 40 0 GGABRN CC(=O)N1c2ccc(NC(=O)c3nnn(-c4ccccc4)c3C)cc2C[C@@H]1C ZINC000012204595 221168041 /nfs/dbraw/zinc/16/80/41/221168041.db2.gz 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GGABRN CCc1cccc(N2C[C@@H](C(=O)Nc3ccc(F)c(C(=O)OC)c3)CC2=O)c1 ZINC000013018000 221257612 /nfs/dbraw/zinc/25/76/12/221257612.db2.gz QWRYKVQVOMMJKP-AWEZNQCLSA-N 0 0 384.407 3.166 40 0 GGABRN CSc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc4nccnc4c3)C2)cc1 ZINC000013014074 221257618 /nfs/dbraw/zinc/25/76/18/221257618.db2.gz GVLLPLCSYULPOW-LJQANCHMSA-N 0 0 398.513 3.462 40 0 GGABRN CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000013021539 221258232 /nfs/dbraw/zinc/25/82/32/221258232.db2.gz SJGTVWZNLOOEBL-UHFFFAOYSA-N 0 0 380.444 3.137 40 0 GGABRN CCN(CC(=O)Nc1cccc(C)c1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000013058190 221258916 /nfs/dbraw/zinc/25/89/16/221258916.db2.gz ONXQCBRYNBUOQJ-UHFFFAOYSA-N 0 0 384.867 3.346 40 0 GGABRN C[C@@H](NC(=O)CN(C)CC(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000013038322 221258925 /nfs/dbraw/zinc/25/89/25/221258925.db2.gz QFEKQJKMOZDRJD-CYBMUJFWSA-N 0 0 377.847 3.227 40 0 GGABRN CCCCN(C(=O)c1ccc(Cl)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000013041222 221259032 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0 0 384.480 3.337 40 0 GGABRN NC(=O)c1cc2ccccc2nc1[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 ZINC000013267563 221263799 /nfs/dbraw/zinc/26/37/99/221263799.db2.gz GJYQXEDHKZBWLH-KRWDZBQOSA-N 0 0 391.446 3.422 40 0 GGABRN Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cn1 ZINC000013227204 221263860 /nfs/dbraw/zinc/26/38/60/221263860.db2.gz MELXQFJFTPCJPW-HNNXBMFYSA-N 0 0 392.434 3.196 40 0 GGABRN CC(=O)c1sc(C2CCN(C(=O)c3cc4nc(C)cc(C)n4n3)CC2)nc1C ZINC000013225436 221264451 /nfs/dbraw/zinc/26/44/51/221264451.db2.gz CEMISWBKPIJUCL-UHFFFAOYSA-N 0 0 397.504 3.333 40 0 GGABRN Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2cnn(C)c2C)o1 ZINC000013297646 221264716 /nfs/dbraw/zinc/26/47/16/221264716.db2.gz IXTITFRRLCXJOZ-UHFFFAOYSA-N 0 0 379.376 3.099 40 0 GGABRN Cc1ccc(C(=O)NCCC2=CCCCC2)cc1S(=O)(=O)N1CCCC1 ZINC000013583012 221275734 /nfs/dbraw/zinc/27/57/34/221275734.db2.gz FSMVRGXZFILXBC-UHFFFAOYSA-N 0 0 376.522 3.400 40 0 GGABRN CCN(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1cc(F)ccc1OC ZINC000013581152 221275907 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CC[C@@H](C(=O)Nc1ccc(F)cc1F)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713526 221282850 /nfs/dbraw/zinc/28/28/50/221282850.db2.gz GEDMBBQYPANARG-KRWDZBQOSA-N 0 0 382.432 3.457 40 0 GGABRN CC[C@H](C(=O)NCc1ccccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715661 221282889 /nfs/dbraw/zinc/28/28/89/221282889.db2.gz GCEFBBXIBQVCPB-QGZVFWFLSA-N 0 0 398.887 3.340 40 0 GGABRN CC[C@H](C(=O)NCc1ccc(Cl)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000013711182 221282985 /nfs/dbraw/zinc/28/29/85/221282985.db2.gz XGFJLTFEUXCZSL-QGZVFWFLSA-N 0 0 380.897 3.201 40 0 GGABRN CC[C@H](C(=O)NCc1ccc(C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716289 221283047 /nfs/dbraw/zinc/28/30/47/221283047.db2.gz XFPQRXCZVWIZGZ-HXUWFJFHSA-N 0 0 388.533 3.473 40 0 GGABRN CC[C@H](C(=O)Nc1ccc(OC)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715228 221283078 /nfs/dbraw/zinc/28/30/78/221283078.db2.gz SMRLFIMKASTLBI-QGZVFWFLSA-N 0 0 380.441 3.018 40 0 GGABRN CC[C@@H](C(=O)NCc1ccc(C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716291 221283130 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GGABRN Cc1ccccc1CSCCNC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000013717341 221284578 /nfs/dbraw/zinc/28/45/78/221284578.db2.gz YNPUUQUYXWGGNP-UHFFFAOYSA-N 0 0 396.512 3.421 40 0 GGABRN CC[C@H](C)OC(=O)[C@H]1[C@@H]2C=C[C@@H]([C@@H]3C[C@@H]32)[C@@H]1C(=O)OCC(=O)c1ccccc1 ZINC000013857176 221291595 /nfs/dbraw/zinc/29/15/95/221291595.db2.gz ZZUYXQFNSYJDTB-ZAASOBGJSA-N 0 0 382.456 3.439 40 0 GGABRN CC[C@H](C)OC(=O)[C@@H]1[C@@H]2C=C[C@@H]([C@@H]3C[C@@H]32)[C@@H]1C(=O)OCC(=O)c1ccccc1 ZINC000013857174 221292454 /nfs/dbraw/zinc/29/24/54/221292454.db2.gz ZZUYXQFNSYJDTB-JDZRGKSGSA-N 0 0 382.456 3.439 40 0 GGABRN CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(-c3ccccc3)cc2)NC(=S)N1 ZINC000013878955 221293161 /nfs/dbraw/zinc/29/31/61/221293161.db2.gz OQWMYBQWKOKMDW-FQEVSTJZSA-N 0 0 393.512 3.005 40 0 GGABRN COc1ccc(CCNC(=S)Nc2ccc(OC)c(OC)c2)cc1OC ZINC000013935020 221293201 /nfs/dbraw/zinc/29/32/01/221293201.db2.gz FRIMRWZUCQIYBR-UHFFFAOYSA-N 0 0 376.478 3.250 40 0 GGABRN O=C(COc1ccc(Br)cc1Br)NCc1ccco1 ZINC000013984078 221294483 /nfs/dbraw/zinc/29/44/83/221294483.db2.gz DADZPWODRAHFAJ-UHFFFAOYSA-N 0 0 389.043 3.500 40 0 GGABRN O=C(CCn1cnc2c3cc(F)ccc3[nH]c2c1=O)NCc1ccc(Cl)cc1 ZINC000014001205 221295158 /nfs/dbraw/zinc/29/51/58/221295158.db2.gz QHQOODFIDATETN-UHFFFAOYSA-N 0 0 398.825 3.377 40 0 GGABRN C[C@@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000014018188 221295580 /nfs/dbraw/zinc/29/55/80/221295580.db2.gz JALKEFNURDVNQY-HBVLHIRESA-N 0 0 376.526 3.118 40 0 GGABRN Cc1ccc(CNC(=O)CCn2cnc3c4cc(F)ccc4[nH]c3c2=O)cc1 ZINC000014001225 221295820 /nfs/dbraw/zinc/29/58/20/221295820.db2.gz AWVPPONYONLOFN-UHFFFAOYSA-N 0 0 378.407 3.032 40 0 GGABRN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000014000352 221296014 /nfs/dbraw/zinc/29/60/14/221296014.db2.gz MLRSLHHUYINFJV-IRXDYDNUSA-N 0 0 382.460 3.310 40 0 GGABRN O=C(CCn1cnc2c3cc(F)ccc3[nH]c2c1=O)NCc1cccc(Cl)c1 ZINC000014001177 221296191 /nfs/dbraw/zinc/29/61/91/221296191.db2.gz WHVNTDITMBMQBL-UHFFFAOYSA-N 0 0 398.825 3.377 40 0 GGABRN CN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000014019359 221297670 /nfs/dbraw/zinc/29/76/70/221297670.db2.gz PHMCEGLONSQRFR-OAHLLOKOSA-N 0 0 392.908 3.404 40 0 GGABRN O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1c(F)cccc1F ZINC000014114975 221299378 /nfs/dbraw/zinc/29/93/78/221299378.db2.gz IOCPTQJBWQPYAY-UHFFFAOYSA-N 0 0 394.175 3.076 40 0 GGABRN C[C@]1(c2ccco2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)C1=O ZINC000014124422 221299906 /nfs/dbraw/zinc/29/99/06/221299906.db2.gz SKKYGOLMXLSMFR-GOSISDBHSA-N 0 0 376.796 3.062 40 0 GGABRN O=C(c1ccc(Br)o1)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000014140232 221301290 /nfs/dbraw/zinc/30/12/90/221301290.db2.gz YZWBZRRAZSWAGA-UHFFFAOYSA-N 0 0 397.656 3.294 40 0 GGABRN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000014200528 221303753 /nfs/dbraw/zinc/30/37/53/221303753.db2.gz QUTICDDPJPLALV-CQSZACIVSA-N 0 0 384.457 3.033 40 0 GGABRN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)Cc1ccc(F)cc1 ZINC000014198270 221303783 /nfs/dbraw/zinc/30/37/83/221303783.db2.gz XIHFMOLRCUGOCE-UHFFFAOYSA-N 0 0 392.452 3.255 40 0 GGABRN NC(=O)CSc1ccccc1NC(=O)Cc1ccc(Br)cc1 ZINC000014197469 221303984 /nfs/dbraw/zinc/30/39/84/221303984.db2.gz TWAABVNXZUKDAL-UHFFFAOYSA-N 0 0 379.279 3.208 40 0 GGABRN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@H]1Cc2ccccc2S1 ZINC000014213692 221304436 /nfs/dbraw/zinc/30/44/36/221304436.db2.gz CUULTCLDCOVJIJ-GOSISDBHSA-N 0 0 388.514 3.127 40 0 GGABRN O=S(=O)(NCCc1cnn(-c2ccccc2)c1)c1ccc2c(c1)CCCC2 ZINC000014201011 221304655 /nfs/dbraw/zinc/30/46/55/221304655.db2.gz BKDYDFCLRCHSFW-UHFFFAOYSA-N 0 0 381.501 3.272 40 0 GGABRN CCCCS(=O)(=O)Nc1nn(Cc2ccc(F)cc2)cc1Br ZINC000014235257 221305889 /nfs/dbraw/zinc/30/58/89/221305889.db2.gz DDOYOBZLQLGPLW-UHFFFAOYSA-N 0 0 390.278 3.375 40 0 GGABRN Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)c(C)c1 ZINC000014261483 221307873 /nfs/dbraw/zinc/30/78/73/221307873.db2.gz ZEZBSTJUGIWRJJ-IIBYNOLFSA-N 0 0 382.460 3.237 40 0 GGABRN CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(OCC)cc2)ccc1OC ZINC000014291943 221308114 /nfs/dbraw/zinc/30/81/14/221308114.db2.gz FXDCRWBXEVHHFH-UHFFFAOYSA-N 0 0 392.477 3.035 40 0 GGABRN Cc1noc2nc(C)cc(C(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)c12 ZINC000014284795 221308153 /nfs/dbraw/zinc/30/81/53/221308153.db2.gz YAQHGVGPRLAJJX-UHFFFAOYSA-N 0 0 381.360 3.088 40 0 GGABRN COc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2Br)cc1 ZINC000014313266 221308249 /nfs/dbraw/zinc/30/82/49/221308249.db2.gz WPSQZWVOLSQJBO-UHFFFAOYSA-N 0 0 388.258 3.418 40 0 GGABRN CCCNS(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2C)ccc1OC ZINC000014291918 221308279 /nfs/dbraw/zinc/30/82/79/221308279.db2.gz HZVHUXRTZZFWBU-UHFFFAOYSA-N 0 0 376.478 3.253 40 0 GGABRN CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cc(Cl)sc1Cl ZINC000014363551 221308906 /nfs/dbraw/zinc/30/89/06/221308906.db2.gz GLQVXOUQGNERQP-UHFFFAOYSA-N 0 0 393.317 3.235 40 0 GGABRN C=C1c2ccccc2C(=O)N1CCC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000014482330 221310478 /nfs/dbraw/zinc/31/04/78/221310478.db2.gz BKUGIOXECOAQEK-UHFFFAOYSA-N 0 0 375.428 3.034 40 0 GGABRN CC1=C[C@H](C[C@]2(C)O[C@@H]2COc2c3occc3cc3ccc(=O)oc32)OC1=O ZINC000014516854 221310532 /nfs/dbraw/zinc/31/05/32/221310532.db2.gz CISFAPDYRQPRCZ-PZPWOCDFSA-N 0 0 382.368 3.337 40 0 biogenic,in-vitro GGABRN CCCOc1ccc(C(=O)Nc2cccc(-c3nnnn3C)c2)cc1OCC ZINC000014515925 221311143 /nfs/dbraw/zinc/31/11/43/221311143.db2.gz APFUUEKCZAFUQX-UHFFFAOYSA-N 0 0 381.436 3.317 40 0 GGABRN Cc1ccc(NC(=O)[C@H]2CC(=O)N=C(Nc3cccc(C(F)(F)F)c3)N2)cc1 ZINC000014607663 221312982 /nfs/dbraw/zinc/31/29/82/221312982.db2.gz MDAAVSVFIMPYEF-OAHLLOKOSA-N 0 0 390.365 3.309 40 0 GGABRN COc1ccc(-c2nc3n(n2)[C@H](C(=O)Nc2ccc(C)cc2C)CC(=O)N3)cc1 ZINC000014607350 221313430 /nfs/dbraw/zinc/31/34/30/221313430.db2.gz MGZJJZYTKSNHAU-KRWDZBQOSA-N 0 0 391.431 3.093 40 0 GGABRN Cc1nn2c(nnc(C(=O)N3CCOCC3)c2C)c1-c1cccc2ccccc21 ZINC000014607674 221313549 /nfs/dbraw/zinc/31/35/49/221313549.db2.gz XWJIJFFPXQJXIF-UHFFFAOYSA-N 0 0 387.443 3.034 40 0 GGABRN COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OCCOc2ccccc2C)cc1 ZINC000014642888 221314488 /nfs/dbraw/zinc/31/44/88/221314488.db2.gz JNNRMDFBXIKTSH-RTGRKSDTSA-N 0 0 383.444 3.144 40 0 GGABRN C[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)NCC(F)(F)F ZINC000014703830 221314743 /nfs/dbraw/zinc/31/47/43/221314743.db2.gz CRMSXNIAIZWIHL-QMMMGPOBSA-N 0 0 396.485 3.413 40 0 GGABRN COc1ccc(COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 ZINC000014704998 221314764 /nfs/dbraw/zinc/31/47/64/221314764.db2.gz AOXUAQRHIHFBNG-UHFFFAOYSA-N 0 0 391.379 3.441 40 0 GGABRN O=C(Nc1cc(F)ccc1F)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000014796317 221318055 /nfs/dbraw/zinc/31/80/55/221318055.db2.gz ZAAKQROLVWGRDD-LBPRGKRZSA-N 0 0 398.406 3.143 40 0 GGABRN CC(=O)N[C@@H](CC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc(C)cc1 ZINC000015176712 221333413 /nfs/dbraw/zinc/33/34/13/221333413.db2.gz LQDLNGDSXFHJBY-FQEVSTJZSA-N 0 0 379.460 3.328 40 0 GGABRN C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)Cn2c3ccccc3nc2C(F)(F)F)C1 ZINC000015279550 221333428 /nfs/dbraw/zinc/33/34/28/221333428.db2.gz XUNRAPKKACLNFO-BETUJISGSA-N 0 0 397.397 3.103 40 0 GGABRN CC(=O)Nc1ccc2c(COC(=O)[C@]3(C)CC3(Cl)Cl)cc(=O)oc2c1 ZINC000015275515 221333711 /nfs/dbraw/zinc/33/37/11/221333711.db2.gz LTBHKLHXRPJWHE-INIZCTEOSA-N 0 0 384.215 3.379 40 0 GGABRN CC(=O)N[C@H](CC(=O)NCCCn1cnc2ccccc21)c1ccc(C)cc1 ZINC000015137720 221333773 /nfs/dbraw/zinc/33/37/73/221333773.db2.gz PCJAMGCYZLGBQB-HXUWFJFHSA-N 0 0 378.476 3.119 40 0 GGABRN O=C(NC1CCCCCC1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000015303279 221333907 /nfs/dbraw/zinc/33/39/07/221333907.db2.gz APVFFGWBJLTORN-UHFFFAOYSA-N 0 0 382.501 3.453 40 0 GGABRN O=C(COc1ccc2c(c1)CCC2)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000015182304 221333954 /nfs/dbraw/zinc/33/39/54/221333954.db2.gz NTMRCEOEBFHTLA-UHFFFAOYSA-N 0 0 378.472 3.431 40 0 GGABRN O=C(COc1ccc(I)cc1)NCCCc1ccccc1 ZINC000015306191 221334183 /nfs/dbraw/zinc/33/41/83/221334183.db2.gz WLRASYZTXDZVKH-UHFFFAOYSA-N 0 0 395.240 3.419 40 0 GGABRN COc1cc(OC)c(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1Cl ZINC000015324610 221334772 /nfs/dbraw/zinc/33/47/72/221334772.db2.gz KLMYLFRPBSVHKN-UHFFFAOYSA-N 0 0 388.807 3.263 40 0 GGABRN Cc1ccc(C(=O)N2CCc3ccccc3C2)cc1S(=O)(=O)N1CCCCC1 ZINC000015339274 221334986 /nfs/dbraw/zinc/33/49/86/221334986.db2.gz YLRQJVVKQFJJLQ-UHFFFAOYSA-N 0 0 398.528 3.368 40 0 GGABRN CNC(=O)c1ccc(NC(=O)c2cnc(SC)n2-c2ccc(F)cc2)cc1 ZINC000015318341 221335144 /nfs/dbraw/zinc/33/51/44/221335144.db2.gz MZHJQIVHZNXMKA-UHFFFAOYSA-N 0 0 384.436 3.345 40 0 GGABRN CC(C)CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1F ZINC000015395537 221335474 /nfs/dbraw/zinc/33/54/74/221335474.db2.gz HIJXYFIXNCGXRJ-UHFFFAOYSA-N 0 0 378.469 3.183 40 0 GGABRN Cc1ccc(C)n1NC(=O)c1ccc(OS(=O)(=O)c2cccs2)cc1 ZINC000015329543 221335502 /nfs/dbraw/zinc/33/55/02/221335502.db2.gz NAXDDUQOFRTNSX-UHFFFAOYSA-N 0 0 376.459 3.318 40 0 GGABRN CCCc1cc(=O)[nH]c(SCC(=O)Nc2cccc(Br)c2)n1 ZINC000015481796 221336015 /nfs/dbraw/zinc/33/60/15/221336015.db2.gz XFVFDEIFJUWTNP-UHFFFAOYSA-N 0 0 382.283 3.216 40 0 GGABRN Cc1cccc(NC(=O)CN(C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)c1C ZINC000015480348 221336609 /nfs/dbraw/zinc/33/66/09/221336609.db2.gz KVWMSVOBSFGPHO-UHFFFAOYSA-N 0 0 384.867 3.264 40 0 GGABRN CN(CC(=O)Nc1ccccc1Cl)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000015448937 221336640 /nfs/dbraw/zinc/33/66/40/221336640.db2.gz RCOXWXIBJMPDTO-UHFFFAOYSA-N 0 0 391.258 3.300 40 0 GGABRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3cccnc3)cc2)cc1 ZINC000015434426 221336747 /nfs/dbraw/zinc/33/67/47/221336747.db2.gz KBRYAWXIXKYDGY-UHFFFAOYSA-N 0 0 381.457 3.121 40 0 GGABRN COc1ccc(CN(C)C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c(OC)c1 ZINC000015440240 221336842 /nfs/dbraw/zinc/33/68/42/221336842.db2.gz XHCBFZSBRHVTJD-LBPRGKRZSA-N 0 0 386.473 3.409 40 0 GGABRN O=C(Nc1cc(F)ccc1F)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000015004966 221325919 /nfs/dbraw/zinc/32/59/19/221325919.db2.gz CYMLXJBYLXHNDY-UHFFFAOYSA-N 0 0 380.416 3.004 40 0 GGABRN COC(=O)C1C(C)=Nc2nnnn2[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000015016824 221326949 /nfs/dbraw/zinc/32/69/49/221326949.db2.gz IFBGICPYGGSWJP-INIZCTEOSA-N 0 0 399.495 3.436 40 0 GGABRN CCN(CC)C(=O)c1cccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)c1 ZINC000015619228 221337601 /nfs/dbraw/zinc/33/76/01/221337601.db2.gz APWBENKNGSTDCN-UHFFFAOYSA-N 0 0 383.473 3.465 40 0 GGABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(F)cc1F ZINC000015564016 221337691 /nfs/dbraw/zinc/33/76/91/221337691.db2.gz LYIMMODRTSZKQX-UHFFFAOYSA-N 0 0 380.416 3.310 40 0 GGABRN O=C(Nc1ccc(I)cc1)c1ccc(-n2cncn2)cc1 ZINC000015631594 221337742 /nfs/dbraw/zinc/33/77/42/221337742.db2.gz UEHYFWVDPIIMFX-UHFFFAOYSA-N 0 0 390.184 3.124 40 0 GGABRN CCc1ccc(OC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC000015585126 221337848 /nfs/dbraw/zinc/33/78/48/221337848.db2.gz RDOAHFIOYLHARO-INIZCTEOSA-N 0 0 391.464 3.394 40 0 GGABRN COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000015629794 221338015 /nfs/dbraw/zinc/33/80/15/221338015.db2.gz OLBLKNIBIMFYQB-UHFFFAOYSA-N 0 0 388.489 3.051 40 0 GGABRN Cc1ccc(OCC(=O)Nc2nn3c(nnc3-c3cccc(C)c3)s2)cc1 ZINC000015674584 221338710 /nfs/dbraw/zinc/33/87/10/221338710.db2.gz FOGZGZSCIVSGEG-UHFFFAOYSA-N 0 0 379.445 3.487 40 0 GGABRN O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)N(Cc2ccccn2)C1 ZINC000015674164 221338767 /nfs/dbraw/zinc/33/87/67/221338767.db2.gz GMNWSVLUPCZIGQ-CVEARBPZSA-N 0 0 390.365 3.458 40 0 biogenic,in-vitro GGABRN CC(C)NC(=O)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000015675866 221338827 /nfs/dbraw/zinc/33/88/27/221338827.db2.gz UZCMUQRYWPINAG-HNNXBMFYSA-N 0 0 386.843 3.331 40 0 biogenic,in-vitro GGABRN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2sccc2C)cc1 ZINC000015688574 221341270 /nfs/dbraw/zinc/34/12/70/221341270.db2.gz XCADWLIHRPGSIM-VFNNOXKTSA-N 0 0 394.518 3.022 40 0 GGABRN COc1cc(/C=C/C(=O)NCCCOc2ccccc2F)cc(OC)c1OC ZINC000015712952 221341282 /nfs/dbraw/zinc/34/12/82/221341282.db2.gz KVQFBXKMKQTCLP-MDZDMXLPSA-N 0 0 389.423 3.450 40 0 GGABRN O=C(Cc1ccccc1)OCc1cc(=O)n2nc(-c3cccs3)sc2n1 ZINC000015734190 221343152 /nfs/dbraw/zinc/34/31/52/221343152.db2.gz DBFDOVCHLGXRTK-UHFFFAOYSA-N 0 0 383.454 3.165 40 0 GGABRN CC(C)Cc1nn2c(nc(COC(=O)CSc3ccccc3)cc2=O)s1 ZINC000015734048 221343444 /nfs/dbraw/zinc/34/34/44/221343444.db2.gz NQSRHHOCICHOSS-UHFFFAOYSA-N 0 0 389.502 3.185 40 0 GGABRN CCc1nn2c(nc(COC(=O)CSc3ccc(Cl)cc3)cc2=O)s1 ZINC000015734022 221343584 /nfs/dbraw/zinc/34/35/84/221343584.db2.gz LESLWLFTXOKXEX-UHFFFAOYSA-N 0 0 395.893 3.202 40 0 GGABRN Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H]3c3ccc(Cl)cc3)ccc21 ZINC000015836340 221347174 /nfs/dbraw/zinc/34/71/74/221347174.db2.gz ZGSOLHZVNYJALS-HNNXBMFYSA-N 0 0 392.864 3.311 40 0 GGABRN Cc1ccc([C@@H](CNC(=O)COc2ccc(Br)cc2)N(C)C)o1 ZINC000015860104 221349366 /nfs/dbraw/zinc/34/93/66/221349366.db2.gz STZQGOGPJXPAIC-OAHLLOKOSA-N 0 0 381.270 3.148 40 0 GGABRN CCOc1ccccc1C(=O)Nc1cccc(-c2ccc(S(C)(=O)=O)nn2)c1 ZINC000015880801 221350829 /nfs/dbraw/zinc/35/08/29/221350829.db2.gz BLGNTSMCAKZOCR-UHFFFAOYSA-N 0 0 397.456 3.198 40 0 GGABRN CCc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccc(C)cc3)nn2)cc1 ZINC000015884236 221351459 /nfs/dbraw/zinc/35/14/59/221351459.db2.gz FRNOQHVRWVOFCR-UHFFFAOYSA-N 0 0 397.500 3.372 40 0 GGABRN COc1ccc(NC(=O)N2CCC[C@@H](C(=O)NCc3ccccc3F)C2)cc1 ZINC000015935999 221351969 /nfs/dbraw/zinc/35/19/69/221351969.db2.gz ONSSHYUHMNQJNQ-MRXNPFEDSA-N 0 0 385.439 3.395 40 0 GGABRN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCCc1ccc(F)cc1 ZINC000015940433 221352177 /nfs/dbraw/zinc/35/21/77/221352177.db2.gz XCTUGJRPQOBHNK-UHFFFAOYSA-N 0 0 399.491 3.294 40 0 GGABRN Cc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 ZINC000015917126 221352199 /nfs/dbraw/zinc/35/21/99/221352199.db2.gz ISCUVECELDENIJ-ZDUSSCGKSA-N 0 0 383.473 3.138 40 0 GGABRN CCOc1ccc(C(=O)NCC(=O)N[C@H](C)CCc2ccccc2)cc1OCC ZINC000015940978 221352568 /nfs/dbraw/zinc/35/25/68/221352568.db2.gz IIYHCLIHNMESCA-QGZVFWFLSA-N 0 0 398.503 3.351 40 0 GGABRN COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3OC)C2)cc1 ZINC000015935934 221352666 /nfs/dbraw/zinc/35/26/66/221352666.db2.gz CFJHPFCPPYKFSV-KRWDZBQOSA-N 0 0 397.475 3.264 40 0 GGABRN Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000015936128 221352928 /nfs/dbraw/zinc/35/29/28/221352928.db2.gz UIFWMBNNRALFJX-KRWDZBQOSA-N 0 0 381.432 3.401 40 0 GGABRN COc1ccc(C(=O)COc2ccc(Cl)cc2C(N)=O)cc1Br ZINC000016115307 221357535 /nfs/dbraw/zinc/35/75/35/221357535.db2.gz HPJYKCRTPCACMO-UHFFFAOYSA-N 0 0 398.640 3.472 40 0 GGABRN CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)ccc21 ZINC000016162870 221358486 /nfs/dbraw/zinc/35/84/86/221358486.db2.gz WJBIYPGPRXPUGA-OAHLLOKOSA-N 0 0 399.516 3.425 40 0 GGABRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(C)C)cc1 ZINC000016183927 221358626 /nfs/dbraw/zinc/35/86/26/221358626.db2.gz KCYFVLALDGELDY-UHFFFAOYSA-N 0 0 377.462 3.333 40 0 GGABRN CNc1c2ccccc2oc(=O)c1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000016189465 221358841 /nfs/dbraw/zinc/35/88/41/221358841.db2.gz AFJQKMRPDPUWOJ-UHFFFAOYSA-N 0 0 384.388 3.113 40 0 GGABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(CC)cc2)cc1 ZINC000016161752 221358993 /nfs/dbraw/zinc/35/89/93/221358993.db2.gz VWCIQNSNHHSNSO-UHFFFAOYSA-N 0 0 390.505 3.297 40 0 GGABRN COc1ccc(C)cc1CC(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C ZINC000016145630 221359011 /nfs/dbraw/zinc/35/90/11/221359011.db2.gz QIMOVHMEQACPDA-UHFFFAOYSA-N 0 0 390.505 3.052 40 0 GGABRN CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000016248510 221359674 /nfs/dbraw/zinc/35/96/74/221359674.db2.gz QKLGQAPXTPKZAF-QMMMGPOBSA-N 0 0 385.700 3.257 40 0 GGABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1cccc(F)c1 ZINC000016399155 221361625 /nfs/dbraw/zinc/36/16/25/221361625.db2.gz RDGKUVCERITRMA-UHFFFAOYSA-N 0 0 392.452 3.064 40 0 GGABRN O=S1(=O)CC[C@H](Sc2cc(C(F)(F)F)c3cc4c(cc3n2)OCO4)C1 ZINC000016383593 221361806 /nfs/dbraw/zinc/36/18/06/221361806.db2.gz UOXNFWMYIBGPSS-QMMMGPOBSA-N 0 0 391.392 3.262 40 0 GGABRN Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 ZINC000016362946 221361967 /nfs/dbraw/zinc/36/19/67/221361967.db2.gz JKZNWXIJELGXRX-UHFFFAOYSA-N 0 0 388.489 3.233 40 0 GGABRN Cc1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000016396513 221362077 /nfs/dbraw/zinc/36/20/77/221362077.db2.gz PPMHJFYTFXQOQM-GOSISDBHSA-N 0 0 379.504 3.350 40 0 GGABRN O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000016489160 221363432 /nfs/dbraw/zinc/36/34/32/221363432.db2.gz RBTGYYDSNPWVPI-UHFFFAOYSA-N 0 0 377.400 3.499 40 0 GGABRN CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000016575251 221364687 /nfs/dbraw/zinc/36/46/87/221364687.db2.gz WFTISMRJSUKILO-OAHLLOKOSA-N 0 0 376.478 3.027 40 0 GGABRN O=c1oc2ccccc2cc1-c1csc(S[C@H]2CCS(=O)(=O)C2)n1 ZINC000016525633 221365081 /nfs/dbraw/zinc/36/50/81/221365081.db2.gz DQRQNUNDPWEUGZ-NSHDSACASA-N 0 0 379.484 3.196 40 0 GGABRN C[C@H]1CN(C(=S)NCc2ccccc2)CCN1C(=S)NCc1ccccc1 ZINC000016609613 221365966 /nfs/dbraw/zinc/36/59/66/221365966.db2.gz CWMMXWSMKXGCKL-KRWDZBQOSA-N 0 0 398.601 3.142 40 0 GGABRN CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000016610285 221366797 /nfs/dbraw/zinc/36/67/97/221366797.db2.gz HRMLHJCZHOOQLT-HNNXBMFYSA-N 0 0 376.478 3.089 40 0 GGABRN CC(=O)Nc1cccc(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000016644122 221367304 /nfs/dbraw/zinc/36/73/04/221367304.db2.gz WYALWTZIKDKTQF-UHFFFAOYSA-N 0 0 376.416 3.269 40 0 GGABRN COc1cc(C(=O)NCCCN2CCCC2=O)ccc1OCc1ccccc1 ZINC000016643761 221368244 /nfs/dbraw/zinc/36/82/44/221368244.db2.gz DDMUMKTXOSJOJL-UHFFFAOYSA-N 0 0 382.460 3.017 40 0 GGABRN CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 ZINC000015960825 221354129 /nfs/dbraw/zinc/35/41/29/221354129.db2.gz GKXQDJUFVUTUDO-UHFFFAOYSA-N 0 0 390.505 3.323 40 0 GGABRN Cc1ccc(NC(=O)CSCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 ZINC000016015356 221355110 /nfs/dbraw/zinc/35/51/10/221355110.db2.gz MLQAYAZQQAEZKQ-UHFFFAOYSA-N 0 0 397.500 3.198 40 0 GGABRN Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000016029235 221356321 /nfs/dbraw/zinc/35/63/21/221356321.db2.gz RHWONAJUCOHWHH-HOTGVXAUSA-N 0 0 388.489 3.045 40 0 GGABRN O=C(Cn1cnc2c3ccccc3oc2c1=O)OCc1nc2ccccc2o1 ZINC000017152688 221380194 /nfs/dbraw/zinc/38/01/94/221380194.db2.gz KDQNISPWEBNYQG-UHFFFAOYSA-N 0 0 375.340 3.027 40 0 GGABRN CCOC(=O)C1CCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000017170070 221380443 /nfs/dbraw/zinc/38/04/43/221380443.db2.gz HOECAIMKAXIQKK-UHFFFAOYSA-N 0 0 391.855 3.124 40 0 GGABRN CC(=O)c1ccc(NC(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000017305846 221381741 /nfs/dbraw/zinc/38/17/41/221381741.db2.gz LYEQKPNXMWBQHZ-OAHLLOKOSA-N 0 0 377.448 3.101 40 0 GGABRN CC(=O)c1ccc(NC(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000017305847 221382419 /nfs/dbraw/zinc/38/24/19/221382419.db2.gz LYEQKPNXMWBQHZ-HNNXBMFYSA-N 0 0 377.448 3.101 40 0 GGABRN COc1cccc(OCc2nnc(SCC(=O)N(C)c3ccccc3)o2)c1 ZINC000017227234 221382869 /nfs/dbraw/zinc/38/28/69/221382869.db2.gz VDTFFBNBRCYSAL-UHFFFAOYSA-N 0 0 385.445 3.412 40 0 GGABRN CN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000017334681 221383556 /nfs/dbraw/zinc/38/35/56/221383556.db2.gz GPRYXJXQKSVKIN-UHFFFAOYSA-N 0 0 382.485 3.167 40 0 GGABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1 ZINC000017481484 221383827 /nfs/dbraw/zinc/38/38/27/221383827.db2.gz FALDLEAGFOUSDP-UHFFFAOYSA-N 0 0 396.472 3.390 40 0 GGABRN Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)on1 ZINC000017338037 221383833 /nfs/dbraw/zinc/38/38/33/221383833.db2.gz BOWCQCCLUVGZER-UHFFFAOYSA-N 0 0 377.466 3.108 40 0 GGABRN CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(OC)c2OC)cc1 ZINC000016740364 221369209 /nfs/dbraw/zinc/36/92/09/221369209.db2.gz VVGOYDMJQUXGSW-CYBMUJFWSA-N 0 0 392.477 3.033 40 0 GGABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000016691845 221369524 /nfs/dbraw/zinc/36/95/24/221369524.db2.gz PEKLWZUYTLAPLK-UHFFFAOYSA-N 0 0 396.896 3.306 40 0 GGABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(C)c2)cc1C ZINC000016692271 221369536 /nfs/dbraw/zinc/36/95/36/221369536.db2.gz YWOFXWYCLRCEBD-UHFFFAOYSA-N 0 0 390.505 3.270 40 0 GGABRN Cc1ccc([C@@H](NS(=O)(=O)c2ccc(C(N)=O)cc2)c2cccs2)cc1 ZINC000016734770 221369572 /nfs/dbraw/zinc/36/95/72/221369572.db2.gz LQWVMRQMQCTZRY-GOSISDBHSA-N 0 0 386.498 3.223 40 0 GGABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)cc2C)cc1C ZINC000016692301 221369811 /nfs/dbraw/zinc/36/98/11/221369811.db2.gz WOPYZDQLNJAFGN-UHFFFAOYSA-N 0 0 390.505 3.270 40 0 GGABRN Nn1c(-c2ccncc2)nn(CC(=O)Nc2ccc(Cl)c(Cl)c2)c1=S ZINC000016778133 221370532 /nfs/dbraw/zinc/37/05/32/221370532.db2.gz XZRWDPYWKCAIBL-UHFFFAOYSA-N 0 0 395.275 3.135 40 0 GGABRN CCCc1nn(CC(=O)Nc2ccc(C(C)=O)cc2)c(=S)n1-n1cccc1 ZINC000016777858 221371025 /nfs/dbraw/zinc/37/10/25/221371025.db2.gz PMXDWPCYKBNRFI-UHFFFAOYSA-N 0 0 383.477 3.321 40 0 GGABRN O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O)Nc1ccc(Cl)cc1Cl ZINC000016742429 221371038 /nfs/dbraw/zinc/37/10/38/221371038.db2.gz FZERXGWIYUMLGN-UIHHKEIPSA-N 0 0 379.243 3.129 40 0 GGABRN Cc1nn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=S)n1-n1cccc1 ZINC000016777799 221371460 /nfs/dbraw/zinc/37/14/60/221371460.db2.gz BOJIPKGIMXVMDL-UHFFFAOYSA-N 0 0 381.383 3.493 40 0 GGABRN CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3nnc(-c4ccco4)n3C)ccc21 ZINC000016814813 221372794 /nfs/dbraw/zinc/37/27/94/221372794.db2.gz JRWGZNDKRDJTEB-LBPRGKRZSA-N 0 0 396.472 3.348 40 0 GGABRN COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3O)C2=O)cc1 ZINC000016920682 221373593 /nfs/dbraw/zinc/37/35/93/221373593.db2.gz WFLUPUZMGCJVDN-YVLHZVERSA-N 0 0 398.440 3.384 40 0 GGABRN CC(C)CNC(=O)CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1 ZINC000016927350 221374019 /nfs/dbraw/zinc/37/40/19/221374019.db2.gz GIFGHRMBVSOMAC-CYBMUJFWSA-N 0 0 395.960 3.408 40 0 GGABRN COc1ccc(Cl)cc1S(=O)(=O)NCC1(c2ccccc2)CCOCC1 ZINC000016972071 221374352 /nfs/dbraw/zinc/37/43/52/221374352.db2.gz DRHNZZGSTLHHIY-UHFFFAOYSA-N 0 0 395.908 3.375 40 0 GGABRN COc1ccc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)cc1C ZINC000016971873 221374375 /nfs/dbraw/zinc/37/43/75/221374375.db2.gz WYNARENMOWHOIG-UHFFFAOYSA-N 0 0 375.490 3.030 40 0 GGABRN CNc1snc(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000016974432 221374479 /nfs/dbraw/zinc/37/44/79/221374479.db2.gz MKHNDEDHWAPLQO-SECBINFHSA-N 0 0 398.282 3.440 40 0 GGABRN CCOP(=O)(OCC)c1c(C(=O)OC)cc(=O)[nH]c1-c1ccc(C)cc1 ZINC000016958941 221374496 /nfs/dbraw/zinc/37/44/96/221374496.db2.gz QQOBZQGUGCIQGG-UHFFFAOYSA-N 0 0 379.349 3.028 40 0 GGABRN O=C(CNC(=O)c1ccc(NC(=O)c2ccco2)cc1)OCc1ccccc1 ZINC000017638931 221384719 /nfs/dbraw/zinc/38/47/19/221384719.db2.gz OZLBZJFCKZUZIZ-UHFFFAOYSA-N 0 0 378.384 3.005 40 0 GGABRN COc1ccc(CNC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1OC ZINC000017069001 221375841 /nfs/dbraw/zinc/37/58/41/221375841.db2.gz GURHWOFVLQNVDR-UHFFFAOYSA-N 0 0 397.475 3.264 40 0 GGABRN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)N(C)Cc3cnn(C)c3C)c12 ZINC000017079319 221377445 /nfs/dbraw/zinc/37/74/45/221377445.db2.gz SOVLPARCRBEKOG-UHFFFAOYSA-N 0 0 388.475 3.351 40 0 GGABRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000019169546 221398720 /nfs/dbraw/zinc/39/87/20/221398720.db2.gz HIAMCDCGYITHEU-QYZOEREBSA-N 0 0 381.863 3.184 40 0 GGABRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000019169201 221399230 /nfs/dbraw/zinc/39/92/30/221399230.db2.gz ZCPUVCRPSDBCTI-HKBOAZHASA-N 0 0 375.472 3.147 40 0 GGABRN Cc1cc(C)c(N2C(=O)[C@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccc(F)cc2)c(C)c1 ZINC000019169709 221399451 /nfs/dbraw/zinc/39/94/51/221399451.db2.gz IVHDMMPLWBVQMX-NRSPTQNISA-N 0 0 393.462 3.287 40 0 GGABRN O=C1[C@@H]2[C@H](c3ccc(F)cc3)N3CCCN3[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000019170060 221399458 /nfs/dbraw/zinc/39/94/58/221399458.db2.gz SSMKHCWBEYMLFR-SQNIBIBYSA-N 0 0 385.826 3.015 40 0 GGABRN Cc1cccc(C)c1NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000019165003 221399594 /nfs/dbraw/zinc/39/95/94/221399594.db2.gz OBTUOOSXFPZZCQ-UHFFFAOYSA-N 0 0 397.500 3.103 40 0 GGABRN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000017855455 221385445 /nfs/dbraw/zinc/38/54/45/221385445.db2.gz GZIIERFWTNBBOA-OAHLLOKOSA-N 0 0 399.878 3.065 40 0 GGABRN COc1ccc(CCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1OC ZINC000017960525 221386192 /nfs/dbraw/zinc/38/61/92/221386192.db2.gz RKTOUEGCGJCPCV-UHFFFAOYSA-N 0 0 384.476 3.317 40 0 GGABRN CN(CC(=O)Nc1ccccc1Br)C(=O)Cc1cccc(F)c1 ZINC000018019446 221386570 /nfs/dbraw/zinc/38/65/70/221386570.db2.gz QQFXZSUGJRBSFQ-UHFFFAOYSA-N 0 0 379.229 3.228 40 0 GGABRN CCCCN1C(=O)c2ccc(C(=O)N(C)CCOc3ccccc3)cc2C1=O ZINC000018072696 221386936 /nfs/dbraw/zinc/38/69/36/221386936.db2.gz NZSWMWNYYGRBKZ-UHFFFAOYSA-N 0 0 380.444 3.234 40 0 GGABRN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)Cc2ccccc2Cl)c1C ZINC000018093054 221387652 /nfs/dbraw/zinc/38/76/52/221387652.db2.gz ZEQAWZBZFDYISD-UHFFFAOYSA-N 0 0 380.897 3.388 40 0 GGABRN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(F)ccc1Br ZINC000018100773 221387835 /nfs/dbraw/zinc/38/78/35/221387835.db2.gz BCEZXEVDAATOMA-UHFFFAOYSA-N 0 0 390.212 3.097 40 0 GGABRN C[C@H]1CC[C@H]2C(=O)N(c3ccc(S(=O)(=O)c4ccccc4)cc3)C(=O)[C@@H]2C1 ZINC000018157701 221388248 /nfs/dbraw/zinc/38/82/48/221388248.db2.gz WBBSDIDBPMPHMQ-GDIGMMSISA-N 0 0 383.469 3.445 40 0 GGABRN Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000018146688 221388474 /nfs/dbraw/zinc/38/84/74/221388474.db2.gz PDEDIMQPQUYLMN-UHFFFAOYSA-N 0 0 385.851 3.144 40 0 GGABRN CC[C@@H](CNC(=O)CNC(=O)c1ccc(Br)o1)c1ccccc1 ZINC000018153479 221388483 /nfs/dbraw/zinc/38/84/83/221388483.db2.gz ITLUNHBGHDPSMT-LBPRGKRZSA-N 0 0 379.254 3.082 40 0 GGABRN Cc1cccc(OCCNC(=O)c2ccccc2I)c1 ZINC000018147386 221388612 /nfs/dbraw/zinc/38/86/12/221388612.db2.gz FYLXQGPGTJZKKO-UHFFFAOYSA-N 0 0 381.213 3.408 40 0 GGABRN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(F)cc2Cl)cc1 ZINC000018206190 221389695 /nfs/dbraw/zinc/38/96/95/221389695.db2.gz RCLRBWCRFHKOPW-UHFFFAOYSA-N 0 0 398.887 3.440 40 0 GGABRN O=c1c2ccccc2nc(CSc2ncnc3[nH]cnc32)n1-c1ccccc1 ZINC000018208822 221389964 /nfs/dbraw/zinc/38/99/64/221389964.db2.gz PUWUSNPOLSUNAY-UHFFFAOYSA-N 0 0 386.440 3.344 40 0 GGABRN Cc1ccc(S(=O)(=O)N(CCCc2c(C)nc[nH]c2=O)c2ccccc2)cc1 ZINC000018204000 221390087 /nfs/dbraw/zinc/39/00/87/221390087.db2.gz DRIWNWRCPYIJCY-UHFFFAOYSA-N 0 0 397.500 3.215 40 0 GGABRN Cc1ccccc1CCNC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O ZINC000018265851 221391143 /nfs/dbraw/zinc/39/11/43/221391143.db2.gz JWRFEBQJDWFWND-UHFFFAOYSA-N 0 0 390.270 3.371 40 0 GGABRN C[C@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)C(C)(C)C)c3)C(=O)[C@@H]21 ZINC000018243979 221391261 /nfs/dbraw/zinc/39/12/61/221391261.db2.gz QPXUKSXIIDNPAJ-FDQGKXFDSA-N 0 0 383.444 3.160 40 0 GGABRN Cc1ccccc1CCNC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl ZINC000018831992 221392325 /nfs/dbraw/zinc/39/23/25/221392325.db2.gz KDRWWYTZXDWDNO-UHFFFAOYSA-N 0 0 394.924 3.308 40 0 GGABRN CCc1sc(-c2nnc(CSc3nnc(C(F)(F)F)n3N)o2)cc1C ZINC000018766066 221392487 /nfs/dbraw/zinc/39/24/87/221392487.db2.gz SFEZZQFZKMNTRU-UHFFFAOYSA-N 0 0 390.416 3.285 40 0 GGABRN CN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000018761299 221392915 /nfs/dbraw/zinc/39/29/15/221392915.db2.gz SHFZOBYSGMYBOT-UHFFFAOYSA-N 0 0 390.848 3.471 40 0 GGABRN CC(=O)c1c[nH]c(C(=O)OCC(=O)Nc2cccc(-c3csc(C)n3)c2)c1 ZINC000018610771 221393117 /nfs/dbraw/zinc/39/31/17/221393117.db2.gz ZGPUPBRAPBGRHH-UHFFFAOYSA-N 0 0 383.429 3.445 40 0 GGABRN COc1cccc(CN2CCCC[C@H]2c2ncc3c(n2)CCN(C(C)=O)C3)c1 ZINC000019018288 221393470 /nfs/dbraw/zinc/39/34/70/221393470.db2.gz KKEDRVQGBUINOF-NRFANRHFSA-N 0 0 380.492 3.117 40 0 GGABRN CC(=O)N1CCc2nc([C@@H]3CCCCN3CCOc3ccc(F)cc3)ncc2C1 ZINC000019018263 221393727 /nfs/dbraw/zinc/39/37/27/221393727.db2.gz FQMXYKWKRZQLFL-NRFANRHFSA-N 0 0 398.482 3.126 40 0 GGABRN COc1ccc([C@H]2CN(C(=O)c3cccc(F)c3)[C@@H]3CCCN(C(C)=O)[C@@H]32)cc1 ZINC000019017725 221393911 /nfs/dbraw/zinc/39/39/11/221393911.db2.gz PKKJEEZYEBGVMU-YPAWHYETSA-N 0 0 396.462 3.453 40 0 GGABRN CC(=O)Nc1nc(C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)cs1 ZINC000019022930 221394693 /nfs/dbraw/zinc/39/46/93/221394693.db2.gz QLEANKBJMFHVCW-GFCCVEGCSA-N 0 0 379.413 3.051 40 0 GGABRN CC(=O)Nc1ccc(NC(=O)CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000019022532 221394709 /nfs/dbraw/zinc/39/47/09/221394709.db2.gz YGMDOKAMTHDHJX-INIZCTEOSA-N 0 0 391.475 3.339 40 0 GGABRN CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C(=O)c1ccccn1 ZINC000019019565 221394849 /nfs/dbraw/zinc/39/48/49/221394849.db2.gz UUBWEXPLRAHUEQ-NNWRFLSQSA-N 0 0 377.488 3.481 40 0 GGABRN COc1ccccc1OCCCNc1c(C(C)=O)nnn1-c1ccc(F)cc1 ZINC000019023088 221395475 /nfs/dbraw/zinc/39/54/75/221395475.db2.gz OMHGNPPPADPEDX-UHFFFAOYSA-N 0 0 384.411 3.499 40 0 GGABRN CC(C)(C)c1cc(C(=O)N2CCC(c3cc4cccnc4c(=O)[nH]3)CC2)[nH]n1 ZINC000019083594 221395797 /nfs/dbraw/zinc/39/57/97/221395797.db2.gz QQHVPUZIRKFMOJ-UHFFFAOYSA-N 0 0 379.464 3.376 40 0 GGABRN COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)[C@H](C)Oc2cccc(F)c2)cc1 ZINC000019079502 221395848 /nfs/dbraw/zinc/39/58/48/221395848.db2.gz AJEBQROMRCFOLL-LHSJRXKWSA-N 0 0 395.434 3.499 40 0 GGABRN CNC(=O)[C@]1(Cc2ccccc2-c2ccc(F)cc2)CN(C(=O)C(C)C)CCO1 ZINC000019085851 221396267 /nfs/dbraw/zinc/39/62/67/221396267.db2.gz AGCRJCMLADDWGM-QHCPKHFHSA-N 0 0 398.478 3.035 40 0 GGABRN COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)[C@H](C)Oc2cccc(F)c2)cc1 ZINC000019079499 221396517 /nfs/dbraw/zinc/39/65/17/221396517.db2.gz AJEBQROMRCFOLL-QKKBWIMNSA-N 0 0 395.434 3.499 40 0 GGABRN CC(C)C(=O)N1CCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](C1CCCC1)CC3 ZINC000019085590 221396785 /nfs/dbraw/zinc/39/67/85/221396785.db2.gz LQCDTCCMWPRWDX-IBGZPJMESA-N 0 0 397.523 3.055 40 0 GGABRN C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(-c2ccnc3ncnn32)cc1 ZINC000019080413 221396793 /nfs/dbraw/zinc/39/67/93/221396793.db2.gz VOHDJKCNTGCGOT-CQSZACIVSA-N 0 0 391.406 3.014 40 0 GGABRN C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1 ZINC000019080543 221396824 /nfs/dbraw/zinc/39/68/24/221396824.db2.gz MEGHXTZROYWKHA-CYBMUJFWSA-N 0 0 399.422 3.062 40 0 GGABRN CC(C)(C)c1ccc(C(=O)NCC2(c3ccccc3F)CCOCC2)c(=O)[nH]1 ZINC000019084397 221396982 /nfs/dbraw/zinc/39/69/82/221396982.db2.gz BQYLRDASGYHORB-UHFFFAOYSA-N 0 0 386.467 3.290 40 0 GGABRN C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(-c2ccnc3ncnn32)cc1 ZINC000019080416 221397010 /nfs/dbraw/zinc/39/70/10/221397010.db2.gz VOHDJKCNTGCGOT-AWEZNQCLSA-N 0 0 391.406 3.014 40 0 GGABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)CC[C@@H]3CCCO3)CC1)N2 ZINC000019128621 221397543 /nfs/dbraw/zinc/39/75/43/221397543.db2.gz WACQJVQOISSYIV-YESZJQIVSA-N 0 0 396.482 3.380 40 0 GGABRN Cc1cc(-c2cnc(NC(C)C)nc2-c2ccc(N3CCOCC3)nc2)on1 ZINC000019124005 221397582 /nfs/dbraw/zinc/39/75/82/221397582.db2.gz IZJMYQLSWMUQQA-UHFFFAOYSA-N 0 0 380.452 3.159 40 0 GGABRN Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)CCn1nc(C)c(Cl)c1C ZINC000019130376 221397610 /nfs/dbraw/zinc/39/76/10/221397610.db2.gz HBTSUAYPBLTOOG-ZBFHGGJFSA-N 0 0 398.898 3.183 40 0 GGABRN Cc1cc2nccc([C@@H]3CCCCN3C(=O)CCc3cc(OC(C)C)no3)n2n1 ZINC000019130560 221397690 /nfs/dbraw/zinc/39/76/90/221397690.db2.gz ITCZSVJZSBCICQ-KRWDZBQOSA-N 0 0 397.479 3.499 40 0 GGABRN Cc1cc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)Cn2nc(C)c(C)c2C)on1 ZINC000019121345 221397753 /nfs/dbraw/zinc/39/77/53/221397753.db2.gz LNSYZSBSIYTNDO-GOSISDBHSA-N 0 0 396.495 3.259 40 0 GGABRN Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(C(=O)C(C)C)CC2)on1 ZINC000019122730 221397782 /nfs/dbraw/zinc/39/77/82/221397782.db2.gz XEVJLJRYRASCGN-UHFFFAOYSA-N 0 0 383.496 3.402 40 0 GGABRN Cc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)c(=O)n1C ZINC000019131546 221397802 /nfs/dbraw/zinc/39/78/02/221397802.db2.gz IRASNBQYNKXLOR-UHFFFAOYSA-N 0 0 382.460 3.398 40 0 GGABRN Cc1cc(C(=O)N2CCC[C@H]2c2nc(C)c(Cc3ccccc3)c(=O)[nH]2)on1 ZINC000019119859 221397807 /nfs/dbraw/zinc/39/78/07/221397807.db2.gz USXSQTLBDSUWAY-KRWDZBQOSA-N 0 0 378.432 3.355 40 0 GGABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)c3cccnc3C)C1)N2 ZINC000019128285 221397815 /nfs/dbraw/zinc/39/78/15/221397815.db2.gz IHOZUBQESSYXOZ-BHYGNILZSA-N 0 0 389.450 3.438 40 0 GGABRN Cc1cc(C(=O)NCCn2ncc(-c3ccccn3)c2-c2cccs2)on1 ZINC000019120041 221397828 /nfs/dbraw/zinc/39/78/28/221397828.db2.gz SAKWFYMCPPPLQP-UHFFFAOYSA-N 0 0 379.445 3.400 40 0 GGABRN Cc1cc(-c2cc(=O)[nH]nc2C2CCN(C(=O)c3cccc(F)c3)CC2)on1 ZINC000019121232 221397925 /nfs/dbraw/zinc/39/79/25/221397925.db2.gz AJYCAIKOUUOGCY-UHFFFAOYSA-N 0 0 382.395 3.305 40 0 GGABRN COc1ccccc1OCC(=O)N1CCCC[C@@H]1c1ccnc2cc(C)nn21 ZINC000019130603 221397934 /nfs/dbraw/zinc/39/79/34/221397934.db2.gz QPBSUYRMUUILBZ-MRXNPFEDSA-N 0 0 380.448 3.179 40 0 GGABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)CC[C@H]3CCCO3)CC1)N2 ZINC000019128626 221398004 /nfs/dbraw/zinc/39/80/04/221398004.db2.gz WACQJVQOISSYIV-IXDOHACOSA-N 0 0 396.482 3.380 40 0 GGABRN Cc1cc(-c2cnc(N3CCCC3)nc2[C@@H]2CCCN(c3ncccn3)C2)on1 ZINC000019122268 221398034 /nfs/dbraw/zinc/39/80/34/221398034.db2.gz GZSSZIHWZZHWIY-MRXNPFEDSA-N 0 0 391.479 3.214 40 0 GGABRN Cc1cc(-c2cnc(N3CCCC3)nc2[C@H]2CCCN(C(=O)C3CC3)C2)on1 ZINC000019122048 221398062 /nfs/dbraw/zinc/39/80/62/221398062.db2.gz XCFWGGSHVALXTE-INIZCTEOSA-N 0 0 381.480 3.156 40 0 GGABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)CCc3ccno3)C1)N2 ZINC000019127822 221398109 /nfs/dbraw/zinc/39/81/09/221398109.db2.gz USBRYVVNDVAIGT-VNQPRFMTSA-N 0 0 393.438 3.041 40 0 GGABRN Cc1cnc(C(=O)N2CCC(c3nc(C)cc(-c4nccs4)n3)CC2)cn1 ZINC000019118639 221398112 /nfs/dbraw/zinc/39/81/12/221398112.db2.gz CTLOUGOSCVBOTL-UHFFFAOYSA-N 0 0 380.477 3.027 40 0 GGABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)CCc3ccno3)CC1)N2 ZINC000019128670 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399.494 3.238 40 0 GGABRN Cc1cccc(C)c1Nc1noc2c1CN(C(=O)COC[C@@H]1CCCO1)CC2 ZINC000019235782 221401952 /nfs/dbraw/zinc/40/19/52/221401952.db2.gz CFHLJCMUNVSGFU-INIZCTEOSA-N 0 0 385.464 3.115 40 0 GGABRN CSc1nnc([C@@H]2CCCN2C(=O)[C@@H](C)n2c(C)nc3ccccc32)n1C ZINC000019286646 221403850 /nfs/dbraw/zinc/40/38/50/221403850.db2.gz MZRYRNJFSGJJQP-WBMJQRKESA-N 0 0 384.509 3.120 40 0 GGABRN CNc1cc(C2CCN(C(=O)c3cccnc3)CC2)nc(-c2cnc(C)s2)n1 ZINC000019287375 221404075 /nfs/dbraw/zinc/40/40/75/221404075.db2.gz CBYBQGNEFGONOZ-UHFFFAOYSA-N 0 0 394.504 3.365 40 0 GGABRN O=C(c1ccc(F)c(F)c1)N1C[C@H]2CCC[C@@H](C1)C2(O)c1cccnc1F ZINC000019293168 221406875 /nfs/dbraw/zinc/40/68/75/221406875.db2.gz VAIXTSGGASWPPP-RAKKMVLPSA-N 0 0 376.378 3.259 40 0 GGABRN O=C(NCCn1ncc(-c2ccncc2)c1-c1cccs1)c1cccnc1 ZINC000019337903 221407471 /nfs/dbraw/zinc/40/74/71/221407471.db2.gz NDMTVKLEOUYSRI-UHFFFAOYSA-N 0 0 375.457 3.499 40 0 GGABRN NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)C2CCCC2)C1 ZINC000019333465 221408040 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O=C(N[C@H]1CC2(CCN(c3cccnc3)CC2)c2ccccc21)[C@H]1CCOC1 ZINC000096079028 136183447 /nfs/dbraw/zinc/18/34/47/136183447.db2.gz CHTFLRIICXSXBH-UWJYYQICSA-N 0 0 377.488 3.217 40 0 GGABRN O=C(N[C@H]1CC2(CCN(c3cccnc3)CC2)c2ccccc21)[C@@H]1CCOC1 ZINC000096079026 136183517 /nfs/dbraw/zinc/18/35/17/136183517.db2.gz CHTFLRIICXSXBH-UTKZUKDTSA-N 0 0 377.488 3.217 40 0 GGABRN Cc1cc(N2CCCCC2)nc(CNS(=O)(=O)c2cc(C)c(C)cc2C)n1 ZINC000096120828 136183892 /nfs/dbraw/zinc/18/38/92/136183892.db2.gz UKPMRIVQBJKIFV-UHFFFAOYSA-N 0 0 388.537 3.179 40 0 GGABRN CC(C)c1ccccc1NC(=O)[C@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 ZINC000096124135 136183995 /nfs/dbraw/zinc/18/39/95/136183995.db2.gz RTCJWXWTLMJWAZ-INIZCTEOSA-N 0 0 391.479 3.036 40 0 GGABRN Cc1ccc(CS(=O)(=O)N2CC[C@@]3(C2)CCCN(c2ccccn2)C3)cc1 ZINC000096216770 136185324 /nfs/dbraw/zinc/18/53/24/136185324.db2.gz TXZUXCCXVMHERN-NRFANRHFSA-N 0 0 385.533 3.212 40 0 GGABRN O=C(CC(F)(F)F)N1Cc2ccccc2C2(CCN(c3cnccn3)CC2)C1 ZINC000096242570 136185514 /nfs/dbraw/zinc/18/55/14/136185514.db2.gz JEPQSGUXARMOQN-UHFFFAOYSA-N 0 0 390.409 3.309 40 0 GGABRN O=CN1CCN(c2nc3ccc(Br)cc3c(-c3ccccc3)n2)CC1 ZINC000000850405 136193057 /nfs/dbraw/zinc/19/30/57/136193057.db2.gz XLDYDMXNAGTNRN-UHFFFAOYSA-N 0 0 397.276 3.338 40 0 GGABRN C[C@@H]1CCc2cc(F)ccc2N1C(=O)CSc1nnc(-c2ccncc2)n1C ZINC000000905162 136193113 /nfs/dbraw/zinc/19/31/13/136193113.db2.gz JZTIBEMIABIGNZ-CYBMUJFWSA-N 0 0 397.479 3.476 40 0 GGABRN O=C(c1cccc(Cl)c1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 ZINC000004583306 136194009 /nfs/dbraw/zinc/19/40/09/136194009.db2.gz YIGGEABOEUCIBD-UHFFFAOYSA-N 0 0 399.926 3.473 40 0 GGABRN Cc1ccccc1C(=O)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 ZINC000004583288 136194081 /nfs/dbraw/zinc/19/40/81/136194081.db2.gz UGRCDSXVQHTDPA-UHFFFAOYSA-N 0 0 379.508 3.128 40 0 GGABRN COc1cc([C@@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)OC3)cc(OC)c1O ZINC000004944695 136194217 /nfs/dbraw/zinc/19/42/17/136194217.db2.gz MLYGYQUDFHCFNN-HNNXBMFYSA-N 0 0 395.411 3.049 40 0 GGABRN CCc1ccc(N2C3=C(C(=O)OC3)[C@@H](c3ccc4c(c3)OCO4)CC2=O)cc1 ZINC000004944656 136194244 /nfs/dbraw/zinc/19/42/44/136194244.db2.gz SESRSOWOGDLBBO-MRXNPFEDSA-N 0 0 377.396 3.309 40 0 GGABRN COc1cccc(N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)c1 ZINC000005094469 136194533 /nfs/dbraw/zinc/19/45/33/136194533.db2.gz GNTYCGWAZWBIKL-UHFFFAOYSA-N 0 0 389.293 3.349 40 0 GGABRN O=C(c1cc(-c2ccco2)nc2ccccc21)N1CCN(c2ncccn2)CC1 ZINC000006342237 136195055 /nfs/dbraw/zinc/19/50/55/136195055.db2.gz KQQMSDJZSCJKLB-UHFFFAOYSA-N 0 0 385.427 3.247 40 0 GGABRN Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000006365208 136195113 /nfs/dbraw/zinc/19/51/13/136195113.db2.gz CVPKFIRFKULPHV-QGZVFWFLSA-N 0 0 382.460 3.324 40 0 GGABRN COc1ccc(NC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)c(OC)c1 ZINC000007307049 136195305 /nfs/dbraw/zinc/19/53/05/136195305.db2.gz ZXGZUZUKBBGRTD-UHFFFAOYSA-N 0 0 381.432 3.442 40 0 GGABRN FC(F)(F)c1ccc(N2CCN(Cc3nnc(-c4ccccc4)o3)CC2)nc1 ZINC000008153214 136195423 /nfs/dbraw/zinc/19/54/23/136195423.db2.gz ZAEXAKPLLFWSCH-UHFFFAOYSA-N 0 0 389.381 3.473 40 0 GGABRN Cc1nc2cc(C(=O)N3CCN(c4ncccn4)CC3)ccc2n1-c1ccccc1 ZINC000008281509 136195534 /nfs/dbraw/zinc/19/55/34/136195534.db2.gz ZJLZVTDKDRZHFS-UHFFFAOYSA-N 0 0 398.470 3.086 40 0 GGABRN O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(c2ccccc2Cl)CC1 ZINC000008391172 136195559 /nfs/dbraw/zinc/19/55/59/136195559.db2.gz FUBXTSIEOFUJKR-UHFFFAOYSA-N 0 0 383.879 3.429 40 0 GGABRN C[C@@H](CC(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000008284977 136195581 /nfs/dbraw/zinc/19/55/81/136195581.db2.gz OMTYFCPKYQCOJJ-SFHVURJKSA-N 0 0 395.503 3.114 40 0 GGABRN CCc1ccc(N2C[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)cc1 ZINC000007452314 136196928 /nfs/dbraw/zinc/19/69/28/136196928.db2.gz SIPHKBBWYKCQAW-GOSISDBHSA-N 0 0 395.478 3.090 40 0 GGABRN CCOC(=O)[C@H]1CCCN(c2ncc3c(n2)C[C@@H](c2ccccc2C)CC3=O)C1 ZINC000169682744 136197528 /nfs/dbraw/zinc/19/75/28/136197528.db2.gz KPCIMGLLSVVDFO-DLBZAZTESA-N 0 0 393.487 3.477 40 0 GGABRN COC(=O)c1sccc1NC(=O)[C@H]1CCCN(c2cc(C3CC3)ncn2)C1 ZINC000206656675 136199347 /nfs/dbraw/zinc/19/93/47/136199347.db2.gz JAILSCPDEDMATC-ZDUSSCGKSA-N 0 0 386.477 3.057 40 0 GGABRN O=C(CN1C(=O)COc2ccccc21)OCc1ccc(F)cc1Br ZINC000011837110 136199805 /nfs/dbraw/zinc/19/98/05/136199805.db2.gz XEGRXGRTENOIGF-UHFFFAOYSA-N 0 0 394.196 3.057 40 0 GGABRN Cc1cc(N2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)nc(C(C)C)n1 ZINC000012552711 136200475 /nfs/dbraw/zinc/20/04/75/136200475.db2.gz ZAESWVUYDMCASU-UHFFFAOYSA-N 0 0 396.470 3.420 40 0 GGABRN Cc1ccccc1CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000012819206 136200596 /nfs/dbraw/zinc/20/05/96/136200596.db2.gz OKFTXMUQOCPEBH-UHFFFAOYSA-N 0 0 398.528 3.301 40 0 GGABRN CC(C)[C@@H](c1nnnn1CCc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000013505435 136201056 /nfs/dbraw/zinc/20/10/56/136201056.db2.gz XNMHDGCLGGICEW-QFIPXVFZSA-N 0 0 390.535 3.435 40 0 GGABRN COc1ccccc1-c1ccc(N2CCN(C(=O)C3CCCCC3)CC2)nn1 ZINC000013661588 136201307 /nfs/dbraw/zinc/20/13/07/136201307.db2.gz QTOFSTCMRAPWEC-UHFFFAOYSA-N 0 0 380.492 3.381 40 0 GGABRN Cc1cccc2cc(CNc3ccc(N4CCC(C(N)=O)CC4)cc3)c(=O)[nH]c12 ZINC000013563085 136201318 /nfs/dbraw/zinc/20/13/18/136201318.db2.gz RQAVRAZOGPMYLR-UHFFFAOYSA-N 0 0 390.487 3.150 40 0 GGABRN COc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC[C@@H](O)C4)cc3)cc2c1 ZINC000013563062 136201331 /nfs/dbraw/zinc/20/13/31/136201331.db2.gz PTEXXDPZEKLIAF-LJQANCHMSA-N 0 0 379.460 3.110 40 0 GGABRN COc1cccc(N2CCN(c3nc(-c4ccc(Cl)cc4)cc(=O)[nH]3)CC2)c1 ZINC000014606947 136201563 /nfs/dbraw/zinc/20/15/63/136201563.db2.gz DCIWPWGHDZBZCP-UHFFFAOYSA-N 0 0 396.878 3.426 40 0 GGABRN Cc1nn(C)c2nc(C)cc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)c12 ZINC000014899399 136201644 /nfs/dbraw/zinc/20/16/44/136201644.db2.gz GSRGXUWKQOCYOW-UHFFFAOYSA-N 0 0 399.882 3.327 40 0 GGABRN COc1ccccc1N1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000015375928 136201829 /nfs/dbraw/zinc/20/18/29/136201829.db2.gz NETKYMNWYFYARD-UHFFFAOYSA-N 0 0 384.867 3.320 40 0 GGABRN CC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CCN(c2ccccc2)CC1 ZINC000020139326 136202498 /nfs/dbraw/zinc/20/24/98/136202498.db2.gz LJOYGJCPUQCDDE-FQEVSTJZSA-N 0 0 394.498 3.479 40 0 GGABRN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)CC)cc2Cl)CC1 ZINC000020581613 136202905 /nfs/dbraw/zinc/20/29/05/136202905.db2.gz XGGPWMMHWOQBJH-UHFFFAOYSA-N 0 0 396.944 3.012 40 0 GGABRN O=C(CNC(=O)c1ccccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000021873762 136203318 /nfs/dbraw/zinc/20/33/18/136203318.db2.gz FUDXIYLBBDSZTH-UHFFFAOYSA-N 0 0 392.286 3.072 40 0 GGABRN NC(=O)Nc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000022082210 136203485 /nfs/dbraw/zinc/20/34/85/136203485.db2.gz XHGUZWAMMYOEPW-UHFFFAOYSA-N 0 0 392.381 3.158 40 0 GGABRN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000022189255 136203621 /nfs/dbraw/zinc/20/36/21/136203621.db2.gz UVULVUGGTIPGBL-UHFFFAOYSA-N 0 0 395.438 3.112 40 0 GGABRN CC(C)N(Cc1ccccc1)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O ZINC000022323343 136203767 /nfs/dbraw/zinc/20/37/67/136203767.db2.gz LZYLMHNNCXDSBI-UHFFFAOYSA-N 0 0 386.517 3.450 40 0 GGABRN COc1cc(OC)cc(OCC(=O)NCCCN2CCCc3ccccc32)c1 ZINC000218901586 136203908 /nfs/dbraw/zinc/20/39/08/136203908.db2.gz RPRKTPOKCVMZLD-UHFFFAOYSA-N 0 0 384.476 3.042 40 0 GGABRN O=C(NCCCN1CCCc2ccccc21)c1ccc(CN2CCCC2=O)cc1 ZINC000219234749 136204124 /nfs/dbraw/zinc/20/41/24/136204124.db2.gz LCDCDKCIMVMKML-UHFFFAOYSA-N 0 0 391.515 3.382 40 0 GGABRN O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)N1CCc2ccccc21 ZINC000219153007 136204143 /nfs/dbraw/zinc/20/41/43/136204143.db2.gz PBIGKIDMQBBCGB-UHFFFAOYSA-N 0 0 390.464 3.452 40 0 GGABRN C[C@H](CCc1ccccc1)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000222584218 136204824 /nfs/dbraw/zinc/20/48/24/136204824.db2.gz IEGUTPVNLUBLGC-QGZVFWFLSA-N 0 0 386.517 3.368 40 0 GGABRN COc1ccc([C@@H](C)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 ZINC000222588423 136204852 /nfs/dbraw/zinc/20/48/52/136204852.db2.gz IPYVXLSJDKGCBZ-OAHLLOKOSA-N 0 0 388.489 3.116 40 0 GGABRN O=C(NCc1ccccc1)[C@H]1CN(C(=O)c2cccs2)c2ccccc2O1 ZINC000222955361 136205255 /nfs/dbraw/zinc/20/52/55/136205255.db2.gz NIODHFOQEVCUAF-GOSISDBHSA-N 0 0 378.453 3.472 40 0 GGABRN COc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)c(C)c1 ZINC000223279948 136205728 /nfs/dbraw/zinc/20/57/28/136205728.db2.gz FMCCDVYWTJRXOA-UHFFFAOYSA-N 0 0 388.533 3.440 40 0 GGABRN O=C([C@@H]1CCc2sc(-n3cccc3)nc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000223810893 136205973 /nfs/dbraw/zinc/20/59/73/136205973.db2.gz VYXMIUHEPUGQKD-QGZVFWFLSA-N 0 0 396.491 3.452 40 0 GGABRN CN(C)c1nc(N2CCCCC2)ncc1NC(=O)Nc1cc(F)cc(F)c1 ZINC000224144910 136206211 /nfs/dbraw/zinc/20/62/11/136206211.db2.gz NJCJZDQUKRCDBF-UHFFFAOYSA-N 0 0 376.411 3.455 40 0 GGABRN COc1ccccc1[C@@H](C)NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000224038212 136206314 /nfs/dbraw/zinc/20/63/14/136206314.db2.gz KOWORWGWTJFYBG-OAHLLOKOSA-N 0 0 388.489 3.116 40 0 GGABRN O=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1ccc(F)cc1 ZINC000224257667 136206557 /nfs/dbraw/zinc/20/65/57/136206557.db2.gz FPKDFUPVZSCHFM-UHFFFAOYSA-N 0 0 377.423 3.195 40 0 GGABRN Cc1cc(CNC(=O)c2ccc(-c3ccccc3)cc2)nc(N2CCOCC2)n1 ZINC000224226056 136206598 /nfs/dbraw/zinc/20/65/98/136206598.db2.gz NCSVVGMCFFMAJJ-UHFFFAOYSA-N 0 0 388.471 3.219 40 0 GGABRN CN(C)c1nc(N2CCCCC2)ncc1NC(=O)Cc1c[nH]c2ccccc12 ZINC000224357042 136206806 /nfs/dbraw/zinc/20/68/06/136206806.db2.gz QOWZUWOZNJJYQZ-UHFFFAOYSA-N 0 0 378.480 3.195 40 0 GGABRN O=C(NCCCOC1CCCCC1)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000224390923 136206991 /nfs/dbraw/zinc/20/69/91/136206991.db2.gz QOONNEIHYCBNMZ-UHFFFAOYSA-N 0 0 394.537 3.086 40 0 GGABRN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000224381236 136206999 /nfs/dbraw/zinc/20/69/99/136206999.db2.gz LOTQLYDSQHWNMT-UHFFFAOYSA-N 0 0 388.533 3.315 40 0 GGABRN Cc1ccc(C(=O)N(C)Cc2cccc(F)c2)cc1N1CCCCS1(=O)=O ZINC000224515915 136207092 /nfs/dbraw/zinc/20/70/92/136207092.db2.gz QPGIMZXJYXHPPW-UHFFFAOYSA-N 0 0 390.480 3.336 40 0 GGABRN COc1ccc(CN(C)C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1 ZINC000021321834 221530347 /nfs/dbraw/zinc/53/03/47/221530347.db2.gz UJJPWDPSYNPBGD-UHFFFAOYSA-N 0 0 379.460 3.070 40 0 GGABRN COc1ccc(-c2csc(CN3CCN(C(=O)c4ccco4)CC3)n2)cc1 ZINC000021687806 221537694 /nfs/dbraw/zinc/53/76/94/221537694.db2.gz LRKCTZGPIKYRIE-UHFFFAOYSA-N 0 0 383.473 3.370 40 0 GGABRN Cc1ccc(N2C[C@H](c3nnc(NC(=O)c4cccc(F)c4)o3)CC2=O)cc1 ZINC000021777933 221540508 /nfs/dbraw/zinc/54/05/08/221540508.db2.gz COZXWQZRKLIEMD-CQSZACIVSA-N 0 0 380.379 3.290 40 0 GGABRN CCc1noc(-c2ccccc2NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000021792223 221541157 /nfs/dbraw/zinc/54/11/57/221541157.db2.gz WKYQLEUTVVHKLJ-MRXNPFEDSA-N 0 0 390.443 3.286 40 0 GGABRN Cc1noc(-c2ccccc2NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000021792184 221542162 /nfs/dbraw/zinc/54/21/62/221542162.db2.gz BUQJNCASOKROCF-INIZCTEOSA-N 0 0 376.416 3.032 40 0 GGABRN O=S(=O)(Oc1ccc(I)cc1)c1ccccc1F ZINC000021821192 221542889 /nfs/dbraw/zinc/54/28/89/221542889.db2.gz AAUUPPZGDMONNG-UHFFFAOYSA-N 0 0 378.162 3.198 40 0 GGABRN CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000021937468 221547235 /nfs/dbraw/zinc/54/72/35/221547235.db2.gz DEKJKHDKGPHCEX-UHFFFAOYSA-N 0 0 388.489 3.173 40 0 GGABRN CCn1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(=O)c2cc(OC)ccc21 ZINC000022235851 221555073 /nfs/dbraw/zinc/55/50/73/221555073.db2.gz TYAHNHWBSQGFNT-UHFFFAOYSA-N 0 0 380.400 3.054 40 0 GGABRN O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000022226955 221555100 /nfs/dbraw/zinc/55/51/00/221555100.db2.gz CCGVFNPPKCXIMQ-UHFFFAOYSA-N 0 0 392.908 3.097 40 0 GGABRN CCOc1ccc2c(c1)c(=O)c(C(=O)N[C@H](C)c1ccccc1OC)cn2C ZINC000022237435 221555321 /nfs/dbraw/zinc/55/53/21/221555321.db2.gz MGUMLIBVTKYZLB-CQSZACIVSA-N 0 0 380.444 3.437 40 0 GGABRN CCn1cc(C(=O)Nc2ccc(OC)cc2OC)c(=O)c2cc(OC)ccc21 ZINC000022235839 221555517 /nfs/dbraw/zinc/55/55/17/221555517.db2.gz KFKMVIYVJLDVEJ-UHFFFAOYSA-N 0 0 382.416 3.300 40 0 GGABRN COc1ccccc1OCC(=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC000022283311 221557037 /nfs/dbraw/zinc/55/70/37/221557037.db2.gz DFSMBHDGJWBSEY-UHFFFAOYSA-N 0 0 383.366 3.469 40 0 GGABRN O=C1CCc2cc(OS(=O)(=O)c3ccccc3Br)ccc2N1 ZINC000022413868 221559473 /nfs/dbraw/zinc/55/94/73/221559473.db2.gz RNKRPHBWBZREBF-UHFFFAOYSA-N 0 0 382.235 3.102 40 0 GGABRN CCOc1cccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2)S(C)(=O)=O)c1 ZINC000022397502 221559593 /nfs/dbraw/zinc/55/95/93/221559593.db2.gz OJQCLATZJXVORX-INIZCTEOSA-N 0 0 390.505 3.037 40 0 GGABRN Cn1nc(CC(=O)OCc2csc(-c3ccccc3)n2)c2ccccc2c1=O ZINC000022497197 221560099 /nfs/dbraw/zinc/56/00/99/221560099.db2.gz MEFPIHGCFYYLAZ-UHFFFAOYSA-N 0 0 391.452 3.343 40 0 GGABRN CCOC(=O)C1CCN(C(=O)CCc2ccc(OCC)c(OCC)c2)CC1 ZINC000022508714 221561219 /nfs/dbraw/zinc/56/12/19/221561219.db2.gz PEPDLFMCKGOATJ-UHFFFAOYSA-N 0 0 377.481 3.218 40 0 GGABRN Cc1ccc(C)c(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000022521431 221562497 /nfs/dbraw/zinc/56/24/97/221562497.db2.gz ZDOOIEPPHGMIBG-UHFFFAOYSA-N 0 0 394.924 3.381 40 0 GGABRN Cc1nn2c(nnc3c(=O)[nH]c(N4CCCCC4)nc32)c1-c1cccc(Cl)c1 ZINC000022607276 221563171 /nfs/dbraw/zinc/56/31/71/221563171.db2.gz FXCIGZQDTIPFQJ-UHFFFAOYSA-N 0 0 395.854 3.392 40 0 GGABRN COc1ccc(OC)c(-n2ccc3nc4ncnn4c(-c4ccccc4)c3c2=O)c1 ZINC000022607892 221565592 /nfs/dbraw/zinc/56/55/92/221565592.db2.gz UJMXFNIABUWVRE-UHFFFAOYSA-N 0 0 399.410 3.113 40 0 GGABRN COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3cc(C)cc(C)c3)C1=O)CC2 ZINC000022609145 221565635 /nfs/dbraw/zinc/56/56/35/221565635.db2.gz PJARLQAZMHELAN-IBGZPJMESA-N 0 0 394.471 3.011 40 0 GGABRN O=C(CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)c1ccc[nH]1 ZINC000022613955 221565753 /nfs/dbraw/zinc/56/57/53/221565753.db2.gz SYKZJGLCIJNOHE-UHFFFAOYSA-N 0 0 385.836 3.065 40 0 GGABRN COc1ccc([C@@H](CNC(=O)c2ccc(Cl)s2)N2CCOCC2)cc1 ZINC000022686183 221567216 /nfs/dbraw/zinc/56/72/16/221567216.db2.gz PSNQRIFATCYVTH-OAHLLOKOSA-N 0 0 380.897 3.213 40 0 GGABRN CS(=O)(=O)c1nc2ccccc2n1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000023107100 221581011 /nfs/dbraw/zinc/58/10/11/221581011.db2.gz DBONGXWVWUWQHV-UHFFFAOYSA-N 0 0 388.836 3.192 40 0 GGABRN O=C(COc1ccc(Br)cc1F)Nc1ccc(-n2cccn2)nc1 ZINC000023073504 221581358 /nfs/dbraw/zinc/58/13/58/221581358.db2.gz 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40 0 GGABRN O=C(Nc1ccc(OCC(F)(F)F)nc1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000058952013 222056328 /nfs/dbraw/zinc/05/63/28/222056328.db2.gz XOZDURZVIVZEPO-LBPRGKRZSA-N 0 0 379.338 3.014 40 0 GGABRN O=C(NCc1cc2ccccc2[nH]1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000058899562 222056850 /nfs/dbraw/zinc/05/68/50/222056850.db2.gz DQRLABNYGJQKSY-UHFFFAOYSA-N 0 0 382.363 3.391 40 0 GGABRN CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccc(F)cc1 ZINC000060103641 222057838 /nfs/dbraw/zinc/05/78/38/222057838.db2.gz BDYSTZOZHYLQMF-UHFFFAOYSA-N 0 0 380.441 3.162 40 0 GGABRN NC(=O)c1ccc(OCc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000059926994 222057928 /nfs/dbraw/zinc/05/79/28/222057928.db2.gz AIAQTYOHESCXDO-UHFFFAOYSA-N 0 0 397.744 3.012 40 0 GGABRN CN(C)C(=O)c1cccc(CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)c1 ZINC000059925129 222058025 /nfs/dbraw/zinc/05/80/25/222058025.db2.gz BOQDNHTUUIICSS-HXUWFJFHSA-N 0 0 385.851 3.009 40 0 GGABRN Cc1ccc(-c2noc(CCCN3CCN(C(=O)CC(F)(F)F)CC3)n2)cc1 ZINC000059403290 222058548 /nfs/dbraw/zinc/05/85/48/222058548.db2.gz CYWYSDHGUYHQKE-UHFFFAOYSA-N 0 0 396.413 3.074 40 0 GGABRN Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N(C)Cc1cccc(C(N)=O)c1 ZINC000059852003 222058584 /nfs/dbraw/zinc/05/85/84/222058584.db2.gz OMSVENRMYWQECK-OUKQBFOZSA-N 0 0 388.471 3.260 40 0 GGABRN O=C(NO[C@@H]1CCCCO1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000060333282 222058839 /nfs/dbraw/zinc/05/88/39/222058839.db2.gz GOFJTRWXETZYLI-YLJYHZDGSA-N 0 0 382.460 3.266 40 0 GGABRN COC(=O)[C@H](NC(=O)c1csc(-c2ccccc2OC)n1)c1ccccc1 ZINC000060317910 222059195 /nfs/dbraw/zinc/05/91/95/222059195.db2.gz JJTMWGZZWAWITR-QGZVFWFLSA-N 0 0 382.441 3.463 40 0 GGABRN CC(C)S(=O)(=O)c1ccccc1C(=O)NCCc1coc(-c2ccccc2)n1 ZINC000060342324 222059373 /nfs/dbraw/zinc/05/93/73/222059373.db2.gz QQQCKSWNVRYUCE-UHFFFAOYSA-N 0 0 398.484 3.496 40 0 GGABRN CN(Cc1ccco1)C(=O)COc1ncnc2ccc(Br)cc21 ZINC000060383661 222059594 /nfs/dbraw/zinc/05/95/94/222059594.db2.gz UNLSTXZYDNOJRK-UHFFFAOYSA-N 0 0 376.210 3.023 40 0 GGABRN Cc1c(C(=O)NCC(C)(C)c2cccc(Cl)c2)cnn1-c1ccc(=O)[nH]n1 ZINC000060208070 222059871 /nfs/dbraw/zinc/05/98/71/222059871.db2.gz PNLIBXUMZABFMC-UHFFFAOYSA-N 0 0 385.855 3.037 40 0 GGABRN Cc1ccc(N2C[C@@H](C(=O)NCC(=O)Nc3ccc(C)cc3Cl)CC2=O)cc1 ZINC000060204129 222060164 /nfs/dbraw/zinc/06/01/64/222060164.db2.gz AJOFDJYITZYVAC-HNNXBMFYSA-N 0 0 399.878 3.065 40 0 GGABRN O=C(Nc1ccc2c(c1)OCCO2)C1CN(c2nc3c(cccc3F)s2)C1 ZINC000062023146 222066534 /nfs/dbraw/zinc/06/65/34/222066534.db2.gz CBUAFZILNYBGKQ-UHFFFAOYSA-N 0 0 385.420 3.282 40 0 GGABRN COc1ccc(S(=O)(=O)NCc2cccc3ccccc32)cc1NC(C)=O ZINC000063764487 222067457 /nfs/dbraw/zinc/06/74/57/222067457.db2.gz RJPJMBSDWULSHL-UHFFFAOYSA-N 0 0 384.457 3.285 40 0 GGABRN CC(=O)N1CCc2cc(S(=O)(=O)NCc3cccc4ccccc43)ccc21 ZINC000063764497 222067843 /nfs/dbraw/zinc/06/78/43/222067843.db2.gz PGEIUQBXEKIFRL-UHFFFAOYSA-N 0 0 380.469 3.227 40 0 GGABRN CCOC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000064476770 222072710 /nfs/dbraw/zinc/07/27/10/222072710.db2.gz AXTGNBVYTYSXRK-UHFFFAOYSA-N 0 0 383.466 3.306 40 0 GGABRN COc1cccc(-c2csc3ncc(C(=O)NC4CCCCC4)c(=O)n23)c1 ZINC000064787906 222082245 /nfs/dbraw/zinc/08/22/45/222082245.db2.gz SEGHLYZBKGYQMV-UHFFFAOYSA-N 0 0 383.473 3.494 40 0 GGABRN O=S(=O)(CCN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)c1ccccc1 ZINC000066844876 222140533 /nfs/dbraw/zinc/14/05/33/222140533.db2.gz LSOVXYSCHKPKJO-GOSISDBHSA-N 0 0 383.872 3.326 40 0 GGABRN Cc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)c1C ZINC000067018548 222140916 /nfs/dbraw/zinc/14/09/16/222140916.db2.gz RTGTYNSWUYNAJY-UHFFFAOYSA-N 0 0 396.559 3.355 40 0 GGABRN CCCn1nnnc1COc1c(Br)cccc1Br ZINC000067009845 222140974 /nfs/dbraw/zinc/14/09/74/222140974.db2.gz UOWSUJHZIDZWKO-UHFFFAOYSA-N 0 0 376.052 3.187 40 0 GGABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSC(C)(C)C)CC2)cc1 ZINC000066739776 222141206 /nfs/dbraw/zinc/14/12/06/222141206.db2.gz DHJNOFQONLGKSF-UHFFFAOYSA-N 0 0 398.594 3.044 40 0 GGABRN Cc1c(C=S(C)(=O)c2nc3ccccc3[nH]2)nccc1OCC(F)(F)F ZINC000067665156 222154026 /nfs/dbraw/zinc/15/40/26/222154026.db2.gz FOEODAPVEPELOT-SANMLTNESA-N 0 0 383.395 3.483 40 0 in-vitro GGABRN CCCCCC(=O)N[C@H]1C[C@@H](Cc2cc(CN3CCOCC3)on2)C1(C)C ZINC000067890060 222165654 /nfs/dbraw/zinc/16/56/54/222165654.db2.gz LPWOSFVRSMHKCT-APWZRJJASA-N 0 0 377.529 3.161 40 0 biogenic,in-vitro GGABRN COc1ccc(CNC2(Cc3cc(-c4ccc(OC)cc4)on3)COC2)cc1 ZINC000067898338 222167098 /nfs/dbraw/zinc/16/70/98/222167098.db2.gz JUYZSOPUWWRTKU-UHFFFAOYSA-N 0 0 380.444 3.460 40 0 biogenic,in-vitro GGABRN COc1cccc(CNC2(Cc3cc(COc4ccccc4)on3)COC2)c1 ZINC000067898174 222167147 /nfs/dbraw/zinc/16/71/47/222167147.db2.gz RVEFIHAWTHZDEF-UHFFFAOYSA-N 0 0 380.444 3.364 40 0 biogenic,in-vitro GGABRN CS(=O)(=O)c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccc3)n2)cc1 ZINC000067898822 222167698 /nfs/dbraw/zinc/16/76/98/222167698.db2.gz TZLYLZYTEURHSE-FQEVSTJZSA-N 0 0 397.500 3.054 40 0 biogenic,in-vitro GGABRN CN(Cc1cc(CC2(NCc3ccccc3)COC2)no1)Cc1ccccc1 ZINC000067898097 222167878 /nfs/dbraw/zinc/16/78/78/222167878.db2.gz DCJINJSYWVDVSU-UHFFFAOYSA-N 0 0 377.488 3.408 40 0 biogenic,in-vitro GGABRN CCOC(=O)[C@@H](CC(=O)c1ccccc1)NCCc1ccc(OC)c(OC)c1 ZINC000068606069 222170678 /nfs/dbraw/zinc/17/06/78/222170678.db2.gz SKMLOBYVHJTTIN-GOSISDBHSA-N 0 0 385.460 3.041 40 0 GGABRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@@H](C)C(C)C ZINC000068682596 222171037 /nfs/dbraw/zinc/17/10/37/222171037.db2.gz RIXPBXNRRMRQOW-HNNXBMFYSA-N 0 0 382.526 3.034 40 0 GGABRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000068846273 222172280 /nfs/dbraw/zinc/17/22/80/222172280.db2.gz NFROWVCXFPQBJS-XUXNNNHQSA-N 0 0 396.940 3.092 40 0 GGABRN O=C(Nc1nnc(C2CC2)s1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000069352292 222173016 /nfs/dbraw/zinc/17/30/16/222173016.db2.gz VCHCQLUORHDONG-SNVBAGLBSA-N 0 0 396.394 3.426 40 0 GGABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000068726600 222173348 /nfs/dbraw/zinc/17/33/48/222173348.db2.gz JQICOMWDTCNDSU-DOMZBBRYSA-N 0 0 392.249 3.173 40 0 GGABRN O=c1c(Cl)c(NC[C@@H]2COc3ccccc3O2)cnn1Cc1ccccc1 ZINC000068837790 222173477 /nfs/dbraw/zinc/17/34/77/222173477.db2.gz PCMMTBHFGJOVCH-OAHLLOKOSA-N 0 0 383.835 3.197 40 0 GGABRN O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000069292112 222173684 /nfs/dbraw/zinc/17/36/84/222173684.db2.gz KZWIKUHZITWLSL-OAHLLOKOSA-N 0 0 397.500 3.493 40 0 GGABRN CN(Cc1nc2ccccc2s1)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000069475801 222175267 /nfs/dbraw/zinc/17/52/67/222175267.db2.gz DYBFWPKRMJWHCL-INIZCTEOSA-N 0 0 380.473 3.243 40 0 GGABRN CS(=O)(=O)NCCc1ccc(-c2csc(-c3ccccc3N)n2)s1 ZINC000071817804 222197625 /nfs/dbraw/zinc/19/76/25/222197625.db2.gz BBFYCRNTECXXJD-UHFFFAOYSA-N 0 0 379.532 3.213 40 0 GGABRN Cc1nn(C)c2sc(C(=O)Nc3ccccc3S(=O)(=O)C(F)F)cc12 ZINC000071836965 222200391 /nfs/dbraw/zinc/20/03/91/222200391.db2.gz FGXDNUUSGQXIOG-UHFFFAOYSA-N 0 0 385.417 3.192 40 0 GGABRN CC[NH+]1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(-c2ccccc2)cc1 ZINC000071980175 222202616 /nfs/dbraw/zinc/20/26/16/222202616.db2.gz MLNVOZZLGDUZMH-FQEVSTJZSA-N 0 0 394.471 3.091 40 0 GGABRN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1cccc[n+]1[O-])CC2 ZINC000072003217 222202637 /nfs/dbraw/zinc/20/26/37/222202637.db2.gz PTYYVQZGXBXPEE-JOCHJYFZSA-N 0 0 390.439 3.125 40 0 GGABRN CC[NH+]1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(-c2ccccc2)cc1 ZINC000071980176 222202855 /nfs/dbraw/zinc/20/28/55/222202855.db2.gz MLNVOZZLGDUZMH-HXUWFJFHSA-N 0 0 394.471 3.091 40 0 GGABRN CCCCCCC(=O)N1[C@H](C(=O)[O-])COC12CC[NH+](Cc1ccccc1)CC2 ZINC000071980640 222203171 /nfs/dbraw/zinc/20/31/71/222203171.db2.gz LGQHLDDIFFTYME-IBGZPJMESA-N 0 0 388.508 3.261 40 0 GGABRN CCOC(=O)c1c(C)c2ccccc2nc1CN1c2ccccc2C[C@H]1C(N)=O ZINC000072049657 222203802 /nfs/dbraw/zinc/20/38/02/222203802.db2.gz ZQUOSDMKWDKNKS-FQEVSTJZSA-N 0 0 389.455 3.137 40 0 GGABRN Cc1c(-c2ccccc2)oc2c(C(=O)NCC(C)(C)C(N)=O)cccc2c1=O ZINC000072011197 222204523 /nfs/dbraw/zinc/20/45/23/222204523.db2.gz AIARNEUNHCKJEE-UHFFFAOYSA-N 0 0 378.428 3.010 40 0 GGABRN Cc1cc([C@]2(C)NC(=O)N(CC(=O)c3cc(C)n(C4CC4)c3C)C2=O)c(C)o1 ZINC000072066148 222204629 /nfs/dbraw/zinc/20/46/29/222204629.db2.gz LLKBROBNJVXFOT-NRFANRHFSA-N 0 0 383.448 3.300 40 0 GGABRN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCNC(=O)[C@@H]2C)cc1 ZINC000072096493 222205691 /nfs/dbraw/zinc/20/56/91/222205691.db2.gz FGNQVIRFRRSWHV-HNNXBMFYSA-N 0 0 391.471 3.123 40 0 GGABRN CCCn1c(C)ccc(-c2noc(CCC(=O)Nc3cccc(C)c3)n2)c1=O ZINC000072242835 222217884 /nfs/dbraw/zinc/21/78/84/222217884.db2.gz ICPLVVBMWUESMI-UHFFFAOYSA-N 0 0 380.448 3.496 40 0 GGABRN O=C(N1CCN(Cc2ccc(F)cc2)CC1)C1(c2ccccc2)CCOCC1 ZINC000072265154 222218009 /nfs/dbraw/zinc/21/80/09/222218009.db2.gz MYFVEPJGGMWRGX-UHFFFAOYSA-N 0 0 382.479 3.218 40 0 GGABRN Cc1ccc(C2(C(=O)N3CCN(Cc4ccccc4)CC3)CCOCC2)cc1 ZINC000072265181 222218486 /nfs/dbraw/zinc/21/84/86/222218486.db2.gz SVCFOHXSGKEOAZ-UHFFFAOYSA-N 0 0 378.516 3.388 40 0 GGABRN O=C(c1ccc(-c2ccc(=O)[nH]c2)s1)N1CCN(Cc2ccccc2)CC1 ZINC000072260062 222218666 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384.476 3.009 40 0 GGABRN O=C(c1noc2c1CCCC2)N1C[C@@H]2CCC[C@@](O)(c3ccccc3F)[C@H]2C1 ZINC000072340096 222230231 /nfs/dbraw/zinc/23/02/31/222230231.db2.gz BSEXETSUPOKJOU-ICSGCJEQSA-N 0 0 384.451 3.452 40 0 GGABRN Cc1cc(-c2cc(=O)n(Cc3[nH]cc(C)c(=O)c3C)nc2-c2cccs2)on1 ZINC000072337580 222230490 /nfs/dbraw/zinc/23/04/90/222230490.db2.gz ZTUIUWVYOQYNSL-UHFFFAOYSA-N 0 0 394.456 3.289 40 0 GGABRN COc1ccc(CNc2c(C)c(C)nc3cc(-c4nccn4C)nn32)cc1OC ZINC000072338513 222230538 /nfs/dbraw/zinc/23/05/38/222230538.db2.gz DKKHVBAULJWAEA-UHFFFAOYSA-N 0 0 392.463 3.376 40 0 GGABRN Cc1cnc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)s1 ZINC000072339088 222230618 /nfs/dbraw/zinc/23/06/18/222230618.db2.gz HVSXLVBENWLKER-XBEYBXDOSA-N 0 0 383.473 3.345 40 0 GGABRN C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCc1ccco1)[C@@]1(C2)NC(=O)c2ccccc2O1 ZINC000072338979 222230686 /nfs/dbraw/zinc/23/06/86/222230686.db2.gz BEYKBFQNJPJKIG-PNEUHGTJSA-N 0 0 380.444 3.241 40 0 GGABRN C[C@]12CC[C@H](C[C@@H]1C(=O)NCc1ccccn1)[C@@]1(C2)NC(=O)c2ccccc2O1 ZINC000072339078 222230719 /nfs/dbraw/zinc/23/07/19/222230719.db2.gz XZABGUSMFQTXCC-BZHLCIIWSA-N 0 0 391.471 3.043 40 0 GGABRN CCN(CC)C(=O)CN1N=C(c2ccccc2)Cn2c(cc3ccccc32)C1=O ZINC000072334568 222230853 /nfs/dbraw/zinc/23/08/53/222230853.db2.gz NJCBISCOCAXCOM-UHFFFAOYSA-N 0 0 388.471 3.370 40 0 GGABRN Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@@H](C(=O)N(C)Cc4ccncc4)[C@@H]31)O2 ZINC000072334275 222230866 /nfs/dbraw/zinc/23/08/66/222230866.db2.gz UTFYLUDVIZOOLB-SUIZVZERSA-N 0 0 376.456 3.409 40 0 GGABRN Cc1nc(C2CCN(C(=O)c3cncc(O)c3)CC2)sc1-c1ccnc(C)n1 ZINC000072340148 222230959 /nfs/dbraw/zinc/23/09/59/222230959.db2.gz FIICXVGZCPJEAL-UHFFFAOYSA-N 0 0 395.488 3.337 40 0 GGABRN COc1cc(CN2C[C@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)cc(OC)c1OC ZINC000072343254 222231605 /nfs/dbraw/zinc/23/16/05/222231605.db2.gz MCQBHAOIUWUGDG-YLJYHZDGSA-N 0 0 382.460 3.256 40 0 GGABRN COc1cc(CN2C[C@@H]3ON=C(c4ccc(C)cc4)[C@H]3C2)cc(OC)c1OC ZINC000072343251 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40 0 GGABRN COc1cc(CN2C[C@@H]3C(c4ccccc4F)=NO[C@@H]3C2)cc(OC)c1OC ZINC000072343302 222233548 /nfs/dbraw/zinc/23/35/48/222233548.db2.gz GMDXETOODYBEMH-HNAYVOBHSA-N 0 0 386.423 3.086 40 0 GGABRN O=C(c1cscn1)N1CCC[C@@H](n2nnc3cc(C(F)(F)F)ccc32)C1 ZINC000072347958 222234390 /nfs/dbraw/zinc/23/43/90/222234390.db2.gz PKZGMCNDUDPLDU-LLVKDONJSA-N 0 0 381.383 3.384 40 0 GGABRN COc1ccc(Cc2cccc(C3CCN(C(=O)c4cc[nH]n4)CC3)n2)cc1 ZINC000072349808 222236110 /nfs/dbraw/zinc/23/61/10/222236110.db2.gz XTLVWURXONNORC-UHFFFAOYSA-N 0 0 376.460 3.424 40 0 GGABRN COc1cccc(Cc2cccc([C@H]3CCCN(C(=O)c4cnccn4)C3)n2)c1 ZINC000072349220 222236159 /nfs/dbraw/zinc/23/61/59/222236159.db2.gz RAZRGZVUIGRESE-SFHVURJKSA-N 0 0 388.471 3.491 40 0 GGABRN NC(=O)c1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4ccncc4)C3)n2)c1 ZINC000072349150 222236600 /nfs/dbraw/zinc/23/66/00/222236600.db2.gz BIAVTUUMGMCMMG-LJQANCHMSA-N 0 0 386.455 3.262 40 0 GGABRN NC(=O)c1cccc(-c2cccc([C@H]3CCCN(C(=O)c4ccncc4)C3)n2)c1 ZINC000072349151 222236872 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Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc(Nc3ccc(F)cn3)cn2)cn1 ZINC000072353144 222238041 /nfs/dbraw/zinc/23/80/41/222238041.db2.gz PZHOIQSVSWHEKW-QGZVFWFLSA-N 0 0 378.411 3.314 40 0 GGABRN CC(C)NC(=O)c1cc([C@H]2CN(C(=O)C3CCCC3)CCO2)nc2ccccc21 ZINC000072352719 222238063 /nfs/dbraw/zinc/23/80/63/222238063.db2.gz NCWXJLWXAZORRD-OAQYLSRUSA-N 0 0 395.503 3.463 40 0 GGABRN COc1ccc(CCC(=O)N2CCC(c3nccnc3-n3ccnc3)CC2)cc1 ZINC000072350623 222238110 /nfs/dbraw/zinc/23/81/10/222238110.db2.gz YFMFYJUYVJZXTE-UHFFFAOYSA-N 0 0 391.475 3.010 40 0 GGABRN CCc1nccn1-c1nccnc1[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000072350536 222238141 /nfs/dbraw/zinc/23/81/41/222238141.db2.gz JEWIJXTUWFEPPQ-INIZCTEOSA-N 0 0 379.439 3.384 40 0 GGABRN Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2ccc(Nc3ccccn3)cn2)C1 ZINC000072353335 222238210 /nfs/dbraw/zinc/23/82/10/222238210.db2.gz KCFZSGZYFMVLEH-MRXNPFEDSA-N 0 0 376.464 3.282 40 0 GGABRN CC(=O)NCC(=O)N1CCC[C@H](c2cc(Cc3cccc(Cl)c3)cc(C)n2)C1 ZINC000072354077 222238224 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Cc1nc(-c2cncnc2[C@H]2CCCN(C(=O)CCc3ccccc3)C2)no1 ZINC000072356048 222238900 /nfs/dbraw/zinc/23/89/00/222238900.db2.gz YIGADERCZCNFOL-KRWDZBQOSA-N 0 0 377.448 3.174 40 0 GGABRN COc1cccc(-c2cncc([C@@H]3CCCN(C(=O)Cc4ccccn4)C3)n2)c1 ZINC000072359597 222239000 /nfs/dbraw/zinc/23/90/00/222239000.db2.gz YKVWJLGDBSQFBH-GOSISDBHSA-N 0 0 388.471 3.496 40 0 GGABRN COc1cccc(-c2cncc([C@@H]3CCCN(C(=O)c4c[nH]nc4C)C3)n2)c1 ZINC000072359685 222239230 /nfs/dbraw/zinc/23/92/30/222239230.db2.gz LWUUGZLELCMMLG-MRXNPFEDSA-N 0 0 377.448 3.204 40 0 GGABRN COc1ccc(CCC(=O)N2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)cc1 ZINC000072355373 222239642 /nfs/dbraw/zinc/23/96/42/222239642.db2.gz UXIQHSLHXKKSJF-GOSISDBHSA-N 0 0 391.475 3.010 40 0 GGABRN Cc1ccc(Cc2cccc([C@H]3CCCN3S(=O)(=O)c3cn[nH]c3)n2)cc1 ZINC000072358281 222239691 /nfs/dbraw/zinc/23/96/91/222239691.db2.gz MVMOCPWWEVCZTO-HXUWFJFHSA-N 0 0 382.489 3.230 40 0 GGABRN COc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)Cc3ccccn3)C2)c1 ZINC000072358859 222240119 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Cc1ccc(Oc2nccnc2C2CCN(C(=O)c3cnccn3)CC2)cc1 ZINC000072362166 222240776 /nfs/dbraw/zinc/24/07/76/222240776.db2.gz ACBXDELVCVQVAB-UHFFFAOYSA-N 0 0 375.432 3.387 40 0 GGABRN Cc1cccc(-c2cncc([C@H]3CCCN(C(=O)c4ccc(=O)n(C)c4)C3)n2)c1 ZINC000072359776 222240840 /nfs/dbraw/zinc/24/08/40/222240840.db2.gz MFKVXTLIOVMAQB-SFHVURJKSA-N 0 0 388.471 3.171 40 0 GGABRN Nc1ccc(C(=O)N2CCC[C@H](c3nccnc3Oc3ccccc3F)C2)cn1 ZINC000072363036 222240911 /nfs/dbraw/zinc/24/09/11/222240911.db2.gz ZBPVPGCVWCDPLX-HNNXBMFYSA-N 0 0 393.422 3.405 40 0 GGABRN Cc1cccnc1Nc1cc([C@H]2CCCN2C(=O)C2CCOCC2)nc(C)n1 ZINC000072360396 222240947 /nfs/dbraw/zinc/24/09/47/222240947.db2.gz MCSQYCYCOUKVCI-GOSISDBHSA-N 0 0 381.480 3.322 40 0 GGABRN Cc1n[nH]cc1C(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3F)n2)C1 ZINC000072362535 222240951 /nfs/dbraw/zinc/24/09/51/222240951.db2.gz XOEYRJXGCADSDY-CQSZACIVSA-N 0 0 381.411 3.459 40 0 GGABRN Cc1ccccc1Oc1nccnc1[C@H]1CCCN(C(=O)c2cnccn2)C1 ZINC000072362154 222241044 /nfs/dbraw/zinc/24/10/44/222241044.db2.gz QAWHDDFACNDWBN-INIZCTEOSA-N 0 0 375.432 3.387 40 0 GGABRN Cc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)c3cnccn3)C2)n1 ZINC000072362167 222241049 /nfs/dbraw/zinc/24/10/49/222241049.db2.gz QGSJPKBKNMKQIM-MRXNPFEDSA-N 0 0 375.432 3.387 40 0 GGABRN CC(=O)Nc1ccc(Oc2nccnc2[C@H]2CCCN(Cc3ncc[nH]3)C2)cc1 ZINC000072362995 222241072 /nfs/dbraw/zinc/24/10/72/222241072.db2.gz MSYKQUIBMAANTB-INIZCTEOSA-N 0 0 392.463 3.330 40 0 GGABRN COc1ccccc1Oc1cncc([C@@H]2CCCN(Cc3cncn3C)C2)n1 ZINC000072363164 222241082 /nfs/dbraw/zinc/24/10/82/222241082.db2.gz PGZQFPOSYKJQMF-MRXNPFEDSA-N 0 0 379.464 3.391 40 0 GGABRN COc1cccc(Oc2nccnc2C2CCN(C(=O)c3ccn(C)n3)CC2)c1 ZINC000072362757 222241107 /nfs/dbraw/zinc/24/11/07/222241107.db2.gz UBXKVSQQEQKHNU-UHFFFAOYSA-N 0 0 393.447 3.031 40 0 GGABRN Cc1ccc(Oc2nccnc2[C@H]2CCCN(C(=O)c3ccnn3C)C2)cc1 ZINC000072362799 222241110 /nfs/dbraw/zinc/24/11/10/222241110.db2.gz CVWQNBQCXHDARS-INIZCTEOSA-N 0 0 377.448 3.331 40 0 GGABRN Cc1nn(C)cc1C(=O)N1CCC(c2nccnc2Oc2ccccc2)CC1 ZINC000072362591 222241442 /nfs/dbraw/zinc/24/14/42/222241442.db2.gz RTJRQKIHVWRMDN-UHFFFAOYSA-N 0 0 377.448 3.331 40 0 GGABRN Cc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(=O)c2cnccn2)C1 ZINC000072362153 222241454 /nfs/dbraw/zinc/24/14/54/222241454.db2.gz QAWHDDFACNDWBN-MRXNPFEDSA-N 0 0 375.432 3.387 40 0 GGABRN Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1 ZINC000072362588 222241505 /nfs/dbraw/zinc/24/15/05/222241505.db2.gz LGWWCTDHMHHXRG-MRXNPFEDSA-N 0 0 377.448 3.331 40 0 GGABRN CCC(=O)N1CCCC[C@@H]1c1nc2c(c(C)n1)CC(=O)N2Cc1ccc(F)cc1 ZINC000072371842 222241801 /nfs/dbraw/zinc/24/18/01/222241801.db2.gz SYYWBJATJRVEPV-GOSISDBHSA-N 0 0 396.466 3.477 40 0 GGABRN O=C(Nc1ccccc1)c1cc([C@@H]2CCN(C(=O)c3ccc(F)cc3)C2)[nH]n1 ZINC000072375091 222241806 /nfs/dbraw/zinc/24/18/06/222241806.db2.gz HRWHHEQQJLQQQY-OAHLLOKOSA-N 0 0 378.407 3.431 40 0 GGABRN COC(C)(C)C(=O)N1CCC(c2ccc(Nc3nc(C)cc(C)n3)cn2)CC1 ZINC000072374350 222241837 /nfs/dbraw/zinc/24/18/37/222241837.db2.gz QWLCKZJFVGRZLF-UHFFFAOYSA-N 0 0 383.496 3.363 40 0 GGABRN CCn1ccc(C(=O)N2CC[C@@H](c3cc(CCOc4ccccc4F)n[nH]3)C2)n1 ZINC000072371666 222241926 /nfs/dbraw/zinc/24/19/26/222241926.db2.gz RIJHPJUQOWGPCW-OAHLLOKOSA-N 0 0 397.454 3.016 40 0 GGABRN COCC(=O)N1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371295 222242055 /nfs/dbraw/zinc/24/20/55/222242055.db2.gz AHTDVQMQJJLJMT-ZDUSSCGKSA-N 0 0 397.397 3.012 40 0 GGABRN Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCN(CC(=O)Nc3ccc(F)cc3)C2)n1 ZINC000072374643 222242267 /nfs/dbraw/zinc/24/22/67/222242267.db2.gz VCMLSFHBSHWCNS-MRXNPFEDSA-N 0 0 393.466 3.358 40 0 GGABRN CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(Cc3ccccc3)cc(C)n2)C1 ZINC000072374758 222242523 /nfs/dbraw/zinc/24/25/23/222242523.db2.gz SJPUEAOGSBJOIC-HXUWFJFHSA-N 0 0 387.549 3.357 40 0 GGABRN O=C(Cc1ccc(F)cc1)N1CC[C@H](c2cc(C(=O)Nc3ccccc3)n[nH]2)C1 ZINC000072375094 222242772 /nfs/dbraw/zinc/24/27/72/222242772.db2.gz IZTUANSNJUBHFX-INIZCTEOSA-N 0 0 392.434 3.360 40 0 GGABRN O=C(Nc1ccccc1)c1cc([C@H]2CCN(C(=O)c3ccc(F)cc3)C2)[nH]n1 ZINC000072375092 222242993 /nfs/dbraw/zinc/24/29/93/222242993.db2.gz HRWHHEQQJLQQQY-HNNXBMFYSA-N 0 0 378.407 3.431 40 0 GGABRN Cc1nc(CC(=O)N2CCC[C@H]2c2cccc(Nc3cnccn3)n2)cs1 ZINC000072375426 222243012 /nfs/dbraw/zinc/24/30/12/222243012.db2.gz VGMIICAMBBZXJH-INIZCTEOSA-N 0 0 380.477 3.286 40 0 GGABRN COCCC(=O)N1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371352 222243118 /nfs/dbraw/zinc/24/31/18/222243118.db2.gz LNAXCARSVJGNJV-CQSZACIVSA-N 0 0 377.872 3.037 40 0 GGABRN Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCN(C(=O)c3cnn(C)c3)C2)n1 ZINC000072374794 222243452 /nfs/dbraw/zinc/24/34/52/222243452.db2.gz NILZLMWYSNCQRA-SFHVURJKSA-N 0 0 378.451 3.483 40 0 GGABRN Cc1ccc(OCCNc2cc(COc3ccccn3)nc(N(C)C)n2)cc1 ZINC000072373200 222243457 /nfs/dbraw/zinc/24/34/57/222243457.db2.gz PRBDCPRMFWMXGV-UHFFFAOYSA-N 0 0 379.464 3.316 40 0 GGABRN O=C(Cc1ccc(F)cc1)N1CC[C@@H](c2cc(C(=O)Nc3ccccc3)n[nH]2)C1 ZINC000072375093 222243474 /nfs/dbraw/zinc/24/34/74/222243474.db2.gz IZTUANSNJUBHFX-MRXNPFEDSA-N 0 0 392.434 3.360 40 0 GGABRN Cc1cc(C)nc(Nc2cccc([C@H]3CCCN(C(=O)c4cnccn4)C3)n2)n1 ZINC000072375986 222243511 /nfs/dbraw/zinc/24/35/11/222243511.db2.gz GMHYYYVTAJQTKC-INIZCTEOSA-N 0 0 389.463 3.042 40 0 GGABRN O=C(Cc1ccc(F)cc1)N1CCCC[C@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072377941 222243734 /nfs/dbraw/zinc/24/37/34/222243734.db2.gz WOFLEHMNKSGZFM-SFHVURJKSA-N 0 0 392.438 3.446 40 0 GGABRN Cc1cccc(Nc2cncc([C@H]3CCCN3S(=O)(=O)c3ccccc3)n2)n1 ZINC000072376274 222243745 /nfs/dbraw/zinc/24/37/45/222243745.db2.gz HDGUKBNXAXWGNN-GOSISDBHSA-N 0 0 395.488 3.449 40 0 GGABRN COc1cccc(-c2cnc(N)nc2[C@@H]2CCCCN2C(=O)c2cccnc2)c1 ZINC000072376947 222243965 /nfs/dbraw/zinc/24/39/65/222243965.db2.gz ARLMZWLLHPCBFU-IBGZPJMESA-N 0 0 389.459 3.497 40 0 GGABRN COc1cccc(-c2cnc(N)nc2[C@@H]2CCCCN2C(=O)c2ccncc2)c1 ZINC000072376961 222243974 /nfs/dbraw/zinc/24/39/74/222243974.db2.gz YYFJCEBQVPGGRP-IBGZPJMESA-N 0 0 389.459 3.497 40 0 GGABRN COc1ccc(OCCc2cc([C@H]3CCN(C(=O)c4cccnc4)C3)[nH]n2)cc1 ZINC000072378148 222243994 /nfs/dbraw/zinc/24/39/94/222243994.db2.gz JEOCAHKCHLIOPS-KRWDZBQOSA-N 0 0 392.459 3.065 40 0 GGABRN Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)COc2ccc(F)cc2)n1 ZINC000072378604 222244341 /nfs/dbraw/zinc/24/43/41/222244341.db2.gz KPRXQCNFVUVRAY-LJQANCHMSA-N 0 0 380.423 3.457 40 0 GGABRN COc1ccc(CC(=O)N2CCC(c3ccc(-c4cnn(C)c4)cn3)CC2)cc1 ZINC000072380186 222244651 /nfs/dbraw/zinc/24/46/51/222244651.db2.gz KEGHDZNGPSSLCA-UHFFFAOYSA-N 0 0 390.487 3.439 40 0 GGABRN Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)COc2ccc(F)cc2)n1 ZINC000072378603 222244665 /nfs/dbraw/zinc/24/46/65/222244665.db2.gz KPRXQCNFVUVRAY-IBGZPJMESA-N 0 0 380.423 3.457 40 0 GGABRN CCc1nccn1-c1cncc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000072378479 222244671 /nfs/dbraw/zinc/24/46/71/222244671.db2.gz UTJMIIBMDYYNCF-GOSISDBHSA-N 0 0 379.439 3.270 40 0 GGABRN O=C(C1CCOCC1)N1CCC[C@H](CCc2ccnc(Nc3cnccn3)c2)C1 ZINC000072378218 222244696 /nfs/dbraw/zinc/24/46/96/222244696.db2.gz KQIUIJFMBYPDCJ-GOSISDBHSA-N 0 0 395.507 3.213 40 0 GGABRN COc1ccc(CC(=O)N2CCC[C@H](c3cccc(-n4ccnc4)n3)C2)cc1 ZINC000072378370 222245037 /nfs/dbraw/zinc/24/50/37/222245037.db2.gz VTKLJAUQNJWGKD-SFHVURJKSA-N 0 0 376.460 3.225 40 0 GGABRN O=C(CCc1ccccc1)N1CCC[C@H](c2cc(C(=O)NC3CCCC3)[nH]n2)C1 ZINC000072380644 222245069 /nfs/dbraw/zinc/24/50/69/222245069.db2.gz ZDPBRAIBBJCCKM-SFHVURJKSA-N 0 0 394.519 3.421 40 0 GGABRN Cc1ccc(Nc2nccc([C@@H]3CCCN(C(=O)Cc4ccccn4)C3)n2)nc1 ZINC000072377897 222245112 /nfs/dbraw/zinc/24/51/12/222245112.db2.gz DQTLHGOTVWAPON-QGZVFWFLSA-N 0 0 388.475 3.267 40 0 GGABRN CNc1ncccc1CN1CCCC[C@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 ZINC000072380637 222245122 /nfs/dbraw/zinc/24/51/22/222245122.db2.gz WPSUTPUBTHRLGT-IBGZPJMESA-N 0 0 382.512 3.246 40 0 GGABRN O=C(c1cc[nH]n1)N1CC[C@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072378168 222245226 /nfs/dbraw/zinc/24/52/26/222245226.db2.gz OBKXFJWCPHNDRP-ZDUSSCGKSA-N 0 0 385.855 3.037 40 0 GGABRN COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)c2ccncc2)c1 ZINC000072376962 222245463 /nfs/dbraw/zinc/24/54/63/222245463.db2.gz YYFJCEBQVPGGRP-LJQANCHMSA-N 0 0 389.459 3.497 40 0 GGABRN Cc1cccnc1Nc1nccc([C@@H]2CCCN(C(=O)C3CCOCC3)C2)n1 ZINC000072378041 222245602 /nfs/dbraw/zinc/24/56/02/222245602.db2.gz GQQULSMLXCIDEM-QGZVFWFLSA-N 0 0 381.480 3.056 40 0 GGABRN Cc1ccc(Nc2nccc([C@H]3CCCN(C(=O)Cc4ccccn4)C3)n2)nc1 ZINC000072377898 222245643 /nfs/dbraw/zinc/24/56/43/222245643.db2.gz DQTLHGOTVWAPON-KRWDZBQOSA-N 0 0 388.475 3.267 40 0 GGABRN COCC(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1cccc(C(F)(F)F)c1 ZINC000072376974 222245656 /nfs/dbraw/zinc/24/56/56/222245656.db2.gz VNJFSKBSZWSFIJ-HNNXBMFYSA-N 0 0 394.397 3.445 40 0 GGABRN CCN(CC)C(=O)CN1CCCC[C@H]1c1nc(N)ncc1-c1ccc(F)cc1 ZINC000072376824 222245662 /nfs/dbraw/zinc/24/56/62/222245662.db2.gz GGCFBHFTZPBSLE-SFHVURJKSA-N 0 0 385.487 3.260 40 0 GGABRN O=C(Cc1ccc(F)cc1)N1CCCC[C@@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072377940 222245684 /nfs/dbraw/zinc/24/56/84/222245684.db2.gz WOFLEHMNKSGZFM-GOSISDBHSA-N 0 0 392.438 3.446 40 0 GGABRN COc1ccc(CCC(=O)N2CCC[C@@H]2c2cncc(-n3ccnc3C)n2)cc1 ZINC000072378487 222245799 /nfs/dbraw/zinc/24/57/99/222245799.db2.gz UJJKVPABFBQQTJ-HXUWFJFHSA-N 0 0 391.475 3.276 40 0 GGABRN Cc1cc(Oc2ccccc2C)nc([C@@H]2CCCN2C(=O)CN2CCCC2=O)n1 ZINC000072384093 222246075 /nfs/dbraw/zinc/24/60/75/222246075.db2.gz KJRKQXSMPJIPSY-KRWDZBQOSA-N 0 0 394.475 3.172 40 0 GGABRN Cc1ncccc1Oc1nccnc1[C@@H]1CCCN(C(=O)c2ccccn2)C1 ZINC000072383856 222246190 /nfs/dbraw/zinc/24/61/90/222246190.db2.gz VNRMZJKTFCKGLZ-MRXNPFEDSA-N 0 0 375.432 3.387 40 0 GGABRN Cc1cc(Oc2ccc(F)cc2)nc([C@@H]2CCN(C(=O)c3ccn(C)n3)C2)n1 ZINC000072384163 222246278 /nfs/dbraw/zinc/24/62/78/222246278.db2.gz POJWENNRSLYKGK-CQSZACIVSA-N 0 0 381.411 3.080 40 0 GGABRN COCC(=O)N1CCCC[C@H]1c1nc(C)cc(Nc2nc(C)c(C)s2)n1 ZINC000072382529 222246350 /nfs/dbraw/zinc/24/63/50/222246350.db2.gz HVMKXDQFDZDZRP-AWEZNQCLSA-N 0 0 375.498 3.302 40 0 GGABRN Cc1cc(Oc2ccc(F)cc2)nc([C@H]2CCN(C(=O)c3ccn(C)n3)C2)n1 ZINC000072384164 222246492 /nfs/dbraw/zinc/24/64/92/222246492.db2.gz POJWENNRSLYKGK-AWEZNQCLSA-N 0 0 381.411 3.080 40 0 GGABRN CCc1cc(C(=O)N2CCC[C@H](c3cncc(Oc4cccnc4)n3)C2)on1 ZINC000072384330 222246666 /nfs/dbraw/zinc/24/66/66/222246666.db2.gz APNQRAMZZXUNGM-AWEZNQCLSA-N 0 0 379.420 3.234 40 0 GGABRN Cc1nc(CC(=O)N2CCC[C@H](c3cncc(Oc4cccnc4)n3)C2)cs1 ZINC000072384241 222246709 /nfs/dbraw/zinc/24/67/09/222246709.db2.gz GUKHSZBNWPAVPU-HNNXBMFYSA-N 0 0 395.488 3.378 40 0 GGABRN CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)C(C)(C)C)CCO1 ZINC000072389097 222246731 /nfs/dbraw/zinc/24/67/31/222246731.db2.gz CFZNSCNGAWADHW-DEOSSOPVSA-N 0 0 394.515 3.286 40 0 GGABRN COc1ccc(Oc2cc(C)nc([C@@H]3CCCN3C(=O)c3cnn(C)c3)n2)cc1 ZINC000072384302 222246935 /nfs/dbraw/zinc/24/69/35/222246935.db2.gz OGYAXZKDHXEFMB-SFHVURJKSA-N 0 0 393.447 3.297 40 0 GGABRN Cc1cc(Oc2ccccc2C)nc([C@H]2CCN(C(=O)c3cnccn3)C2)n1 ZINC000072383786 222246944 /nfs/dbraw/zinc/24/69/44/222246944.db2.gz PGPPFRXEJODFAU-INIZCTEOSA-N 0 0 375.432 3.305 40 0 GGABRN COc1ccc(Oc2cc(C)nc([C@@H]3CCCN3C(=O)c3cnccn3)n2)cc1 ZINC000072383781 222247206 /nfs/dbraw/zinc/24/72/06/222247206.db2.gz JYUDIOSPKKMKPA-SFHVURJKSA-N 0 0 391.431 3.353 40 0 GGABRN COc1cccc(Oc2cc(C)nc([C@@H]3CCN(Cc4nccn4C)C3)n2)c1 ZINC000072384186 222247278 /nfs/dbraw/zinc/24/72/78/222247278.db2.gz KUEMJHJVQBIHRM-MRXNPFEDSA-N 0 0 379.464 3.309 40 0 GGABRN COc1cccc(Oc2cc(C)nc([C@@H]3CCN(C(=O)c4cnccn4)C3)n2)c1 ZINC000072383783 222247298 /nfs/dbraw/zinc/24/72/98/222247298.db2.gz POKHTPBBUKIOCF-OAHLLOKOSA-N 0 0 391.431 3.006 40 0 GGABRN Cc1nc(C)c(C(=O)N2CCC[C@H](c3nccnc3Oc3cccnc3)C2)o1 ZINC000072384116 222247330 /nfs/dbraw/zinc/24/73/30/222247330.db2.gz XNRMAGDXGAONNA-HNNXBMFYSA-N 0 0 379.420 3.289 40 0 GGABRN CCC(=O)N1CCN(C)C(=O)[C@H](Cc2ccc(-c3ccc(OC)cc3)cc2)C1 ZINC000072391009 222247438 /nfs/dbraw/zinc/24/74/38/222247438.db2.gz FZWASUXJIZSBBV-HXUWFJFHSA-N 0 0 380.488 3.232 40 0 GGABRN COc1cccc(Oc2cc(C)nc([C@H]3CCN(Cc4nccn4C)C3)n2)c1 ZINC000072384187 222247564 /nfs/dbraw/zinc/24/75/64/222247564.db2.gz KUEMJHJVQBIHRM-INIZCTEOSA-N 0 0 379.464 3.309 40 0 GGABRN COc1ccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CCCN(C(C)=O)[C@@H]32)cc1 ZINC000072391579 222248345 /nfs/dbraw/zinc/24/83/45/222248345.db2.gz AUGPPGCCMACFPR-YPAWHYETSA-N 0 0 378.472 3.314 40 0 GGABRN CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)CCOC)C1 ZINC000072391260 222248988 /nfs/dbraw/zinc/24/89/88/222248988.db2.gz QPSIWSZZBJAURA-XMMPIXPASA-N 0 0 394.515 3.287 40 0 GGABRN CCNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)COC)C1 ZINC000072391291 222249030 /nfs/dbraw/zinc/24/90/30/222249030.db2.gz XVFSWIRWNLECNM-DEOSSOPVSA-N 0 0 394.515 3.287 40 0 GGABRN COCC(=O)N1CCC[C@](Cc2cccc(-c3ccccc3)c2)(C(=O)N(C)C)C1 ZINC000072391270 222249081 /nfs/dbraw/zinc/24/90/81/222249081.db2.gz QUVHUXBRKYEMST-XMMPIXPASA-N 0 0 394.515 3.240 40 0 GGABRN O=C(NCc1ccc2c(c1)CCCO2)c1ccccc1OCCn1cccn1 ZINC000072392113 222249612 /nfs/dbraw/zinc/24/96/12/222249612.db2.gz GYQIWHGBZQBEKL-UHFFFAOYSA-N 0 0 377.444 3.217 40 0 GGABRN COC(=O)[C@@H]1CCCN1c1ccc(NCc2cc3ccccc3[nH]c2=O)cc1 ZINC000072396097 222250680 /nfs/dbraw/zinc/25/06/80/222250680.db2.gz XHTOIDGQDOAECA-FQEVSTJZSA-N 0 0 377.444 3.282 40 0 GGABRN CCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)C2CC2)C1 ZINC000072395975 222252126 /nfs/dbraw/zinc/25/21/26/222252126.db2.gz BQLIUMOBYAGDAT-HSZRJFAPSA-N 0 0 395.503 3.347 40 0 GGABRN Cc1nn(CC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c(C)c1C ZINC000072396265 222252275 /nfs/dbraw/zinc/25/22/75/222252275.db2.gz YWZUTCXUBDRTDQ-FQEVSTJZSA-N 0 0 377.492 3.247 40 0 GGABRN COC(=O)[C@H]1CCCN1c1ccc(NCc2cc3ccccc3[nH]c2=O)cc1 ZINC000072396098 222252521 /nfs/dbraw/zinc/25/25/21/222252521.db2.gz XHTOIDGQDOAECA-HXUWFJFHSA-N 0 0 377.444 3.282 40 0 GGABRN CCO[C@H](C)c1noc(CN2C(=O)N[C@](C)(c3cccc4ccccc43)C2=O)n1 ZINC000084800604 222323961 /nfs/dbraw/zinc/32/39/61/222323961.db2.gz MZGCJJPMPIUMOG-LRTDBIEQSA-N 0 0 394.431 3.288 40 0 GGABRN CC(C)(C)c1ccc(C(=O)N2CCCSC[C@H]2CN2CCOCC2)cc1 ZINC000085473326 222324171 /nfs/dbraw/zinc/32/41/71/222324171.db2.gz ORJWZAOXFVGLML-LJQANCHMSA-N 0 0 376.566 3.264 40 0 GGABRN CCc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4)N4CCCN4[C@@H]3C2=O)cc1 ZINC000085945374 222325840 /nfs/dbraw/zinc/32/58/40/222325840.db2.gz OOKOBYPRXQYUTR-AABGKKOBSA-N 0 0 395.890 3.438 40 0 GGABRN CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000089223495 222327520 /nfs/dbraw/zinc/32/75/20/222327520.db2.gz IDEUDDPTYWBZEG-CYBMUJFWSA-N 0 0 390.299 3.232 40 0 GGABRN COc1cccc2c1ccn2CC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000094992980 222329725 /nfs/dbraw/zinc/32/97/25/222329725.db2.gz YNYJLNIJZJHXQZ-UHFFFAOYSA-N 0 0 380.444 3.252 40 0 GGABRN Cc1ccccc1OCC(=O)NCCc1nc2c(c(C(F)(F)F)n1)CCCC2 ZINC000077101202 222273577 /nfs/dbraw/zinc/27/35/77/222273577.db2.gz UFHCGFXKEYLJTI-UHFFFAOYSA-N 0 0 393.409 3.420 40 0 GGABRN COc1cccc(C(=O)NCCc2nc(C3CC3)cc(C(F)(F)F)n2)c1OC ZINC000077101150 222274550 /nfs/dbraw/zinc/27/45/50/222274550.db2.gz ZLMFRFGVJBSHNO-UHFFFAOYSA-N 0 0 395.381 3.363 40 0 GGABRN Cc1cc(C(F)(F)F)nc(CCNC(=O)C2(c3ccccc3)CCOCC2)n1 ZINC000077101099 222274640 /nfs/dbraw/zinc/27/46/40/222274640.db2.gz BHRWJRXDHFPSHO-UHFFFAOYSA-N 0 0 393.409 3.211 40 0 GGABRN O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(Cl)s1)CC2)[C@@H]1CCCO1 ZINC000077192047 222275014 /nfs/dbraw/zinc/27/50/14/222275014.db2.gz SJGRNSGKWHASDQ-JTQLQIEISA-N 0 0 397.909 3.174 40 0 GGABRN COc1ccc(CCNC(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)cc1 ZINC000077197745 222275254 /nfs/dbraw/zinc/27/52/54/222275254.db2.gz HUHWXOCIASLHKQ-UHFFFAOYSA-N 0 0 398.385 3.229 40 0 GGABRN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000077196618 222275586 /nfs/dbraw/zinc/27/55/86/222275586.db2.gz AQZVJSSRPDMNEP-LLVKDONJSA-N 0 0 380.288 3.217 40 0 GGABRN CCc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(F)(F)F)o3)C2)cc1 ZINC000077198149 222275670 /nfs/dbraw/zinc/27/56/70/222275670.db2.gz KGABIMMNVBUUMT-LBPRGKRZSA-N 0 0 389.399 3.219 40 0 GGABRN CCc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(F)(F)F)o3)C2)s1 ZINC000077198126 222275723 /nfs/dbraw/zinc/27/57/23/222275723.db2.gz PGSLLQCOXPLCAE-VIFPVBQESA-N 0 0 395.428 3.281 40 0 GGABRN C[C@@H]1CN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C[C@H](c2ccccc2)O1 ZINC000078609951 222297215 /nfs/dbraw/zinc/29/72/15/222297215.db2.gz JCVIGCUITSACTL-FOIQADDNSA-N 0 0 379.460 3.168 40 0 GGABRN CC(=O)c1ccc(C(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 ZINC000078877734 222298717 /nfs/dbraw/zinc/29/87/17/222298717.db2.gz IRBOJJGRLKNIPD-UHFFFAOYSA-N 0 0 376.416 3.354 40 0 GGABRN C[C@H](C(=O)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2)S(C)(=O)=O ZINC000079038788 222302001 /nfs/dbraw/zinc/30/20/01/222302001.db2.gz YTMRVDKGPUZVLI-FZKQIMNGSA-N 0 0 377.531 3.266 40 0 GGABRN CCn1c(CNC(=O)C2(c3ccc(Br)cc3)CC2)n[nH]c1=S ZINC000083836918 222313363 /nfs/dbraw/zinc/31/33/63/222313363.db2.gz GPQZPUDQYMLISK-UHFFFAOYSA-N 0 0 381.299 3.071 40 0 GGABRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2CCOc3ccccc32)c1 ZINC000084210763 222314502 /nfs/dbraw/zinc/31/45/02/222314502.db2.gz FGIWZNYIHHZLJN-MSOLQXFVSA-N 0 0 382.485 3.401 40 0 GGABRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)Cc2cn3cccc(C)c3n2)c1 ZINC000084210768 222315257 /nfs/dbraw/zinc/31/52/57/222315257.db2.gz QBXXYZCDYNNNMA-GOSISDBHSA-N 0 0 394.500 3.034 40 0 GGABRN O=C1CC2(CCCCC2)CC(=O)N1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000084403260 222316727 /nfs/dbraw/zinc/31/67/27/222316727.db2.gz DHHJOPFYQNSQBZ-KRWDZBQOSA-N 0 0 379.884 3.317 40 0 GGABRN COc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3Cl)CC2)cc1C ZINC000096024853 222372416 /nfs/dbraw/zinc/37/24/16/222372416.db2.gz BONAWFUGXKLYAV-UHFFFAOYSA-N 0 0 396.896 3.284 40 0 GGABRN COCCCNC(=O)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12 ZINC000096037946 222374412 /nfs/dbraw/zinc/37/44/12/222374412.db2.gz CSVREQMZLJGZBG-UHFFFAOYSA-N 0 0 389.459 3.012 40 0 GGABRN O=C(c1cnccn1)N1CCC(c2nc3ccc(Nc4ccccc4)cn3n2)CC1 ZINC000096038328 222374446 /nfs/dbraw/zinc/37/44/46/222374446.db2.gz CPRHKKDXAHVHEK-UHFFFAOYSA-N 0 0 399.458 3.283 40 0 GGABRN O=C(C[C@H]1CC2(CCN(C(=O)c3cccnc3)CC2)c2ccccc21)NC1CC1 ZINC000096053004 222374644 /nfs/dbraw/zinc/37/46/44/222374644.db2.gz NGEYERHRRSVINT-SFHVURJKSA-N 0 0 389.499 3.412 40 0 GGABRN CCCCN(C)C(=O)c1ccn(-c2ccc3ccc(-c4cnn(C)c4)cn32)n1 ZINC000096038111 222374653 /nfs/dbraw/zinc/37/46/53/222374653.db2.gz WNGDQSSIYPUSFX-UHFFFAOYSA-N 0 0 376.464 3.398 40 0 GGABRN O=C(c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1)N1CCCO1 ZINC000096037787 222374791 /nfs/dbraw/zinc/37/47/91/222374791.db2.gz VLNMUSKXHQAXLH-UHFFFAOYSA-N 0 0 375.432 3.195 40 0 GGABRN O=C(c1ccncc1)N1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1 ZINC000096038254 222374965 /nfs/dbraw/zinc/37/49/65/222374965.db2.gz XALONWIQHQRFDX-UHFFFAOYSA-N 0 0 384.443 3.206 40 0 GGABRN CCOCCCNC(=O)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn21 ZINC000096037997 222375010 /nfs/dbraw/zinc/37/50/10/222375010.db2.gz VXZMYDJXJFQOBQ-UHFFFAOYSA-N 0 0 389.459 3.343 40 0 GGABRN CNC(=O)C[C@H]1CC2(CCN(C(=O)c3cccs3)CC2)Oc2ccccc21 ZINC000096053288 222375138 /nfs/dbraw/zinc/37/51/38/222375138.db2.gz GIFRQCQBTREJGW-HNNXBMFYSA-N 0 0 384.501 3.425 40 0 GGABRN O=C(C[C@H]1CC2(CCN(C(=O)C3CCOCC3)CC2)c2ccccc21)NC1CC1 ZINC000096053024 222375317 /nfs/dbraw/zinc/37/53/17/222375317.db2.gz GSBWWQUYNYBTHJ-SFHVURJKSA-N 0 0 396.531 3.129 40 0 GGABRN CC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21 ZINC000096052643 222375358 /nfs/dbraw/zinc/37/53/58/222375358.db2.gz NFVKGTQEVDFFBF-GOSISDBHSA-N 0 0 392.503 3.053 40 0 GGABRN CNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccoc3C)CC2)Oc2ccccc21 ZINC000096053271 222375421 /nfs/dbraw/zinc/37/54/21/222375421.db2.gz GAPJVTWSFCFYQE-INIZCTEOSA-N 0 0 382.460 3.265 40 0 GGABRN O=C(c1cscn1)N1CCC2(CC1)CCN(C(=O)c1cccs1)CC2 ZINC000096047291 222375512 /nfs/dbraw/zinc/37/55/12/222375512.db2.gz PMRLUTNZABITNE-UHFFFAOYSA-N 0 0 375.519 3.363 40 0 GGABRN CNC(=O)C[C@H]1CC2(CCN(C(=O)c3cccc(C)n3)CC2)c2ccccc21 ZINC000096052591 222375551 /nfs/dbraw/zinc/37/55/51/222375551.db2.gz KASIJUXQBXVACN-KRWDZBQOSA-N 0 0 377.488 3.187 40 0 GGABRN CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)c3ccccn3)CC2)c2ccccc21 ZINC000096052727 222375681 /nfs/dbraw/zinc/37/56/81/222375681.db2.gz HZJMVZADGMVGFE-QGZVFWFLSA-N 0 0 377.488 3.221 40 0 GGABRN O=C(Cc1ccccc1)N1CCC[C@]2(CC(C(=O)Nc3ccccc3)=NO2)C1 ZINC000096074384 222376020 /nfs/dbraw/zinc/37/60/20/222376020.db2.gz NGKWXABVECZAKR-QFIPXVFZSA-N 0 0 377.444 3.005 40 0 GGABRN O=C(Nc1cccnc1)[C@@H]1CN(C(=O)Nc2cccc(F)c2)CC12CCOCC2 ZINC000096078657 222376049 /nfs/dbraw/zinc/37/60/49/222376049.db2.gz XRSRSTRWYQUJEI-SFHVURJKSA-N 0 0 398.438 3.120 40 0 GGABRN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)c1cccs1)CC2 ZINC000096061365 222376450 /nfs/dbraw/zinc/37/64/50/222376450.db2.gz IXHGIWFDECEPEI-GOSISDBHSA-N 0 0 398.528 3.385 40 0 GGABRN Cc1ccc(N2C[C@]3(CCN(C(=O)c4ccc(N(C)C)cc4)C3)CC2=O)cc1 ZINC000096077387 222376582 /nfs/dbraw/zinc/37/65/82/222376582.db2.gz QMHJQKBJRUPOPB-HSZRJFAPSA-N 0 0 377.488 3.330 40 0 GGABRN Cc1ccc(CS(=O)(=O)N2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)cc1 ZINC000096077556 222377364 /nfs/dbraw/zinc/37/73/64/222377364.db2.gz CZJKLVAKVXJXIM-IBGZPJMESA-N 0 0 390.530 3.015 40 0 GGABRN COc1ccc(CN2Cc3ccnn3C[C@H](COCc3ccccn3)C2)cc1 ZINC000096059251 222377370 /nfs/dbraw/zinc/37/73/70/222377370.db2.gz KYJSQPZATWCHKU-LJQANCHMSA-N 0 0 378.476 3.136 40 0 GGABRN O=C(Nc1cccnc1)C1=NO[C@]2(C1)CCCN(C(=O)c1cccc(Cl)c1)C2 ZINC000096074336 222377411 /nfs/dbraw/zinc/37/74/11/222377411.db2.gz HALCDCWMLJZORP-FQEVSTJZSA-N 0 0 398.850 3.125 40 0 GGABRN Cc1ccc(N2C[C@@]3(CCN(C(=O)c4ccc(N(C)C)cc4)C3)CC2=O)cc1 ZINC000096077386 222377533 /nfs/dbraw/zinc/37/75/33/222377533.db2.gz QMHJQKBJRUPOPB-QHCPKHFHSA-N 0 0 377.488 3.330 40 0 GGABRN COCCNC(=O)c1ccn(-c2ccc3ccc(-c4cccc(F)c4)cn32)n1 ZINC000096088267 222378038 /nfs/dbraw/zinc/37/80/38/222378038.db2.gz CNLURRRBKFAKHX-UHFFFAOYSA-N 0 0 378.407 3.307 40 0 GGABRN CCCc1ccc(C(=O)N2CCC3(CC[C@@H](C(=O)N4CCCC4)O3)CC2)cc1 ZINC000096087276 222378218 /nfs/dbraw/zinc/37/82/18/222378218.db2.gz PSDUTBOVFLBBCY-FQEVSTJZSA-N 0 0 384.520 3.415 40 0 GGABRN CC(C)n1nc(CN2CCCC2)c2c1CN(C(=O)NCc1cccc(F)c1)CC2 ZINC000096084241 222378472 /nfs/dbraw/zinc/37/84/72/222378472.db2.gz MLCKIOTYKHGYDP-UHFFFAOYSA-N 0 0 399.514 3.467 40 0 GGABRN CS(=O)(=O)N1CCCc2ccccc2[C@H]1c1ccnc(-c2ccncc2)c1 ZINC000096087160 222378568 /nfs/dbraw/zinc/37/85/68/222378568.db2.gz RTQDXBIAUOZLDM-OAQYLSRUSA-N 0 0 379.485 3.441 40 0 GGABRN CCc1cccc(NC(=O)N2CCn3nnc(COCc4cccnc4)c3C2)c1 ZINC000096084319 222378687 /nfs/dbraw/zinc/37/86/87/222378687.db2.gz PSECGXYHZAKDRR-UHFFFAOYSA-N 0 0 392.463 3.000 40 0 GGABRN Cc1cc(C)cc(C(=O)N2CC[C@]3(CC[C@@H](C(=O)N4CCCC4)O3)[C@H](C)C2)c1 ZINC000096087370 222378861 /nfs/dbraw/zinc/37/88/61/222378861.db2.gz RLRNXPPZPJQZKL-QMHWCDLVSA-N 0 0 384.520 3.326 40 0 GGABRN C[C@H]1Oc2ccccc2O[C@H]1C(=O)N1CCC(Oc2ncccc2Cl)CC1 ZINC000096096875 222378875 /nfs/dbraw/zinc/37/88/75/222378875.db2.gz SNSIMCLKXRRYPD-FZKQIMNGSA-N 0 0 388.851 3.333 40 0 GGABRN Cc1ccc(C(=O)N2CCC3(CC[C@H](C(=O)Nc4cccnc4)O3)CC2)cc1C ZINC000096087299 222378889 /nfs/dbraw/zinc/37/88/89/222378889.db2.gz UEQCXDNOCURMOT-HXUWFJFHSA-N 0 0 393.487 3.491 40 0 GGABRN COc1ccc(CN2Cc3nnn(C)c3[C@@H](COCc3ccccc3)C2)cc1 ZINC000096086942 222379016 /nfs/dbraw/zinc/37/90/16/222379016.db2.gz DHHPGBZOIBWHCL-LJQANCHMSA-N 0 0 378.476 3.140 40 0 GGABRN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCC(Oc2ncccc2Cl)CC1 ZINC000096096877 222379200 /nfs/dbraw/zinc/37/92/00/222379200.db2.gz SNSIMCLKXRRYPD-ACJLOTCBSA-N 0 0 388.851 3.333 40 0 GGABRN Cc1ccc(N2C[C@H](C(=O)N(Cc3ccco3)C3CCOCC3)CC2=O)cc1C ZINC000096097102 222379575 /nfs/dbraw/zinc/37/95/75/222379575.db2.gz MEAXRSDIAUVZBP-GOSISDBHSA-N 0 0 396.487 3.457 40 0 GGABRN COc1cccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)c(OC)cc2=O)c1 ZINC000096100856 222379873 /nfs/dbraw/zinc/37/98/73/222379873.db2.gz KRIIXNXJXRQJLL-UHFFFAOYSA-N 0 0 399.834 3.220 40 0 GGABRN O=C(c1ccc2c(c1)OCO2)N1[C@@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 ZINC000096104147 222381284 /nfs/dbraw/zinc/38/12/84/222381284.db2.gz GUQRJTBBDCMUFP-BYICEURKSA-N 0 0 399.468 3.025 40 0 GGABRN COc1cccc(C(=O)N2CCOC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c1 ZINC000096113153 222381415 /nfs/dbraw/zinc/38/14/15/222381415.db2.gz FKWYHTWZIZWUKV-MRXNPFEDSA-N 0 0 396.365 3.029 40 0 biogenic,in-vitro GGABRN Cc1ccc(OC2CCN(C(=O)c3cc(-c4ccc(F)cc4)nn3C)CC2)nn1 ZINC000096119442 222383732 /nfs/dbraw/zinc/38/37/32/222383732.db2.gz UYBKHHZEGMBNBH-UHFFFAOYSA-N 0 0 395.438 3.008 40 0 GGABRN Cc1cc(N2CCCC2)nc(CNC(=O)COc2ccc(Cl)cc2Cl)n1 ZINC000096120777 222383801 /nfs/dbraw/zinc/38/38/01/222383801.db2.gz NEDBRXXQSBVMBN-UHFFFAOYSA-N 0 0 395.290 3.387 40 0 GGABRN O=C(COc1ccccc1F)NCCn1nc(C(F)(F)F)c2c1CCCC2 ZINC000096121545 222383837 /nfs/dbraw/zinc/38/38/37/222383837.db2.gz HMSOHEHKAHIDJN-UHFFFAOYSA-N 0 0 385.361 3.115 40 0 GGABRN CCCN(CCOC)C(=O)[C@H]1C[C@]2(CO1)CN(CCC(C)C)c1ccccc12 ZINC000096143980 222387432 /nfs/dbraw/zinc/38/74/32/222387432.db2.gz AZLUQGPKPWJKIB-FYYLOGMGSA-N 0 0 388.552 3.464 40 0 GGABRN COc1ccc(CN2C[C@]3(CO[C@@H](C(=O)N4CCCC4)C3)c3ccccc32)cc1 ZINC000096144529 222388287 /nfs/dbraw/zinc/38/82/87/222388287.db2.gz UAEHMOLPQSTPQB-ISKFKSNPSA-N 0 0 392.499 3.365 40 0 GGABRN O=S1(=O)N[C@H]2CCN(Cc3ccc(Cl)cc3)CC[C@@H]2Oc2ccccc21 ZINC000096145687 222388977 /nfs/dbraw/zinc/38/89/77/222388977.db2.gz AJCYSGUOOPRUNA-IRXDYDNUSA-N 0 0 392.908 3.044 40 0 GGABRN CC(C)CN1C[C@H]2CCN(C(=O)Nc3cccc(Cl)c3)CC[C@H]2S1(=O)=O ZINC000096145608 222389145 /nfs/dbraw/zinc/38/91/45/222389145.db2.gz CWWXARISYVRGKU-RHSMWYFYSA-N 0 0 399.944 3.254 40 0 GGABRN CN(C)C(=O)n1c(C(=O)NCCc2cccnc2)cc2c1c1ccccc1n2C ZINC000096146296 222389259 /nfs/dbraw/zinc/38/92/59/222389259.db2.gz AJCPFPJTJJONEP-UHFFFAOYSA-N 0 0 389.459 3.030 40 0 GGABRN O=C(Nc1cccnc1)c1nc2c(s1)CCN(C(=O)Nc1ccccc1)CC2 ZINC000096146928 222390016 /nfs/dbraw/zinc/39/00/16/222390016.db2.gz WCRMYAFJBRPVLC-UHFFFAOYSA-N 0 0 393.472 3.423 40 0 GGABRN CC(C)CN1C[C@H]2CCN(C(=O)Nc3ccccc3Cl)CC[C@H]2S1(=O)=O ZINC000096145598 222390396 /nfs/dbraw/zinc/39/03/96/222390396.db2.gz TZEANUSEQGSUAS-RHSMWYFYSA-N 0 0 399.944 3.254 40 0 GGABRN CC(C)c1nc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccn23)cs1 ZINC000096154826 222391566 /nfs/dbraw/zinc/39/15/66/222391566.db2.gz BWIOBIGKDBFCMV-UHFFFAOYSA-N 0 0 398.532 3.248 40 0 GGABRN Cc1ccc(CNC(=O)c2ccc3c(c2)[C@H](c2ncn(C(C)C)n2)CN3C)o1 ZINC000096156331 222392628 /nfs/dbraw/zinc/39/26/28/222392628.db2.gz NJCOVAUCTNOKRF-GOSISDBHSA-N 0 0 379.464 3.272 40 0 GGABRN CC[C@@H](CO)NC(=O)c1nc(-c2cn(CC3CCCCC3)cn2)n2ccccc12 ZINC000096155138 222393087 /nfs/dbraw/zinc/39/30/87/222393087.db2.gz CEOYZWWLDOCVIP-KRWDZBQOSA-N 0 0 395.507 3.279 40 0 GGABRN O=C(c1ccn(-c2ccc3ccc(-c4ccccc4)cn32)n1)N1CCC[C@H](O)C1 ZINC000096155332 222393157 /nfs/dbraw/zinc/39/31/57/222393157.db2.gz AVHFOVZTEJYCFF-FQEVSTJZSA-N 0 0 386.455 3.389 40 0 GGABRN CCC(CC)NC(=O)c1ccc2ccc(N3CCN(C(=O)NC(C)C)CC3)n2c1 ZINC000096156038 222393688 /nfs/dbraw/zinc/39/36/88/222393688.db2.gz YDLBJTGBUZROQL-UHFFFAOYSA-N 0 0 399.539 3.098 40 0 GGABRN Cn1cnc2c1cc(C1CCN(C(=O)c3ccncc3)CC1)nc2NCC1CC1 ZINC000096155572 222393923 /nfs/dbraw/zinc/39/39/23/222393923.db2.gz WPBBQQJPOJZWIL-UHFFFAOYSA-N 0 0 390.491 3.205 40 0 GGABRN Cc1ccc([C@H]2[C@@H](C(=O)Nc3nc4ccccc4s3)OCC(=O)N2C)cc1 ZINC000096181544 222396291 /nfs/dbraw/zinc/39/62/91/222396291.db2.gz NLMBVHGKVHCJPX-ROUUACIJSA-N 0 0 381.457 3.142 40 0 GGABRN COC(=O)CN1c2ccc(NC(=O)c3ccccc3Cl)cc2C(C)(C)C1=O ZINC000096182182 222396787 /nfs/dbraw/zinc/39/67/87/222396787.db2.gz HCUPULUFFZTUKL-UHFFFAOYSA-N 0 0 386.835 3.390 40 0 GGABRN Cc1ccc([C@@H]2[C@@H](C(=O)NCCCn3cnc4ccccc43)CC(=O)N2C)cc1 ZINC000096181267 222396817 /nfs/dbraw/zinc/39/68/17/222396817.db2.gz AQKGXSORJLGTIX-PGRDOPGGSA-N 0 0 390.487 3.071 40 0 GGABRN CC1(C)CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(-n4cccn4)cc3)cc21 ZINC000096183247 222396907 /nfs/dbraw/zinc/39/69/07/222396907.db2.gz ZZBZNMYGXJDRSH-UHFFFAOYSA-N 0 0 396.472 3.293 40 0 GGABRN Cc1ccc([C@@H]2[C@H](C(=O)Nc3nc4ccccc4s3)OCC(=O)N2C)cc1 ZINC000096181541 222397143 /nfs/dbraw/zinc/39/71/43/222397143.db2.gz NLMBVHGKVHCJPX-QZTJIDSGSA-N 0 0 381.457 3.142 40 0 GGABRN Cc1ccsc1C(=O)N1CCC2(CC1)C(=O)N(C)CCN2Cc1ccccc1 ZINC000096230325 222399373 /nfs/dbraw/zinc/39/93/73/222399373.db2.gz HUAYODROFOPUIB-UHFFFAOYSA-N 0 0 397.544 3.006 40 0 GGABRN Cc1ccc(NC(=O)N2CC[C@]3(C[C@H]3C(=O)N(C)Cc3ccccn3)C2)cc1 ZINC000096227426 222399432 /nfs/dbraw/zinc/39/94/32/222399432.db2.gz QHNPEFRMUBWJHM-UGKGYDQZSA-N 0 0 378.476 3.293 40 0 GGABRN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@]12CCN(C(=O)Nc1ccc(F)cc1)C2 ZINC000096227754 222399476 /nfs/dbraw/zinc/39/94/76/222399476.db2.gz CEBZMAWZDOITAV-KKSFZXQISA-N 0 0 397.406 3.437 40 0 GGABRN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@]12CCN(C(=O)Nc1ccc(F)cc1)C2 ZINC000096227360 222399539 /nfs/dbraw/zinc/39/95/39/222399539.db2.gz AAYDRSXXIUYWTQ-RXVVDRJESA-N 0 0 382.439 3.123 40 0 GGABRN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)Nc1cccc(F)c1)C2 ZINC000096227428 222399615 /nfs/dbraw/zinc/39/96/15/222399615.db2.gz AXZQZMLARCSMJS-GHTZIAJQSA-N 0 0 382.439 3.123 40 0 GGABRN Cc1ccc(C(=O)N2CC[C@@]3(C[C@@H]3C(=O)N(C)Cc3ccccn3)C2)cc1C ZINC000096227375 222399634 /nfs/dbraw/zinc/39/96/34/222399634.db2.gz GOXACWCNZHTNKP-NFBKMPQASA-N 0 0 377.488 3.209 40 0 GGABRN CCc1cccc(NC(=O)N2CC[C@@]3(C[C@H]3C(=O)NCc3ccncc3)C2)c1 ZINC000096227555 222399713 /nfs/dbraw/zinc/39/97/13/222399713.db2.gz CBOOSGAIVKOVPQ-SIKLNZKXSA-N 0 0 378.476 3.204 40 0 GGABRN O=C(Cc1ccc(F)cc1)N1CCC[C@@]2(CC(C(=O)Nc3ccccc3)=NO2)C1 ZINC000096225200 222399740 /nfs/dbraw/zinc/39/97/40/222399740.db2.gz FLCCCIGRZJUAFE-JOCHJYFZSA-N 0 0 395.434 3.144 40 0 GGABRN O=C(Nc1ccccc1)C1=NO[C@]2(C1)CCCN(C(=O)c1ccc(F)cc1)C2 ZINC000096225183 222399758 /nfs/dbraw/zinc/39/97/58/222399758.db2.gz KUBMGRKLYMRLOA-NRFANRHFSA-N 0 0 381.407 3.216 40 0 GGABRN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)c1cccc(Cl)c1)C2 ZINC000096227334 222399808 /nfs/dbraw/zinc/39/98/08/222399808.db2.gz CYPCTWIVKQVDSI-GHTZIAJQSA-N 0 0 383.879 3.246 40 0 GGABRN O=C(NCc1ccco1)C1=NO[C@@]2(CCN(Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000096225875 222399842 /nfs/dbraw/zinc/39/98/42/222399842.db2.gz FYNFGJHZYGIACI-IBGZPJMESA-N 0 0 391.830 3.109 40 0 GGABRN O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@]2(C1)COCCN(c1cccnc1)C2 ZINC000096228860 222399963 /nfs/dbraw/zinc/39/99/63/222399963.db2.gz FOUDKOANKBVPHI-HSZRJFAPSA-N 0 0 390.487 3.322 40 0 GGABRN Cc1nc(NCc2ccco2)nc2c1COC[C@@]21CCN(C(=O)CCC(C)C)C1 ZINC000096244643 222402693 /nfs/dbraw/zinc/40/26/93/222402693.db2.gz NAVDBOVATQVGPE-QFIPXVFZSA-N 0 0 398.507 3.427 40 0 GGABRN CCc1ccc(NC(=O)N2CCC3(CC[C@H](C(=O)N4CCCC4)O3)CC2)cc1 ZINC000096260927 222404317 /nfs/dbraw/zinc/40/43/17/222404317.db2.gz JUFFVEARAWSSBT-LJQANCHMSA-N 0 0 385.508 3.417 40 0 GGABRN Cc1ccc(NC(=O)N2CC[C@]3(CC[C@@H](C(=O)NCC4CC4)O3)[C@H](C)C2)cc1 ZINC000096261012 222404992 /nfs/dbraw/zinc/40/49/92/222404992.db2.gz GFWSGZNMQCJYCJ-GTCCEBARSA-N 0 0 385.508 3.313 40 0 GGABRN COc1ccc(NC(=O)N2CCc3nc(N4CCCC4)nc(C)c3CC2)cc1 ZINC000096254696 222404997 /nfs/dbraw/zinc/40/49/97/222404997.db2.gz HOALTMQKDSSVJJ-UHFFFAOYSA-N 0 0 381.480 3.027 40 0 GGABRN O=C(c1cccc(Cl)c1)N1CCC2(CC[C@@H](C(=O)N3CCCC3)O2)CC1 ZINC000096260908 222405108 /nfs/dbraw/zinc/40/51/08/222405108.db2.gz DFBFYFLXZFCOAE-KRWDZBQOSA-N 0 0 376.884 3.116 40 0 GGABRN CCOC(=O)C1CCN(S(=O)(=O)c2cc(C(C)C)ccc2OCC)CC1 ZINC000096305778 222410281 /nfs/dbraw/zinc/41/02/81/222410281.db2.gz UIXVJGRBYPFZEW-UHFFFAOYSA-N 0 0 383.510 3.173 40 0 GGABRN CCCn1c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2sc1=O ZINC000096321939 222412140 /nfs/dbraw/zinc/41/21/40/222412140.db2.gz PSPOTIDXWCGSDX-UHFFFAOYSA-N 0 0 380.466 3.091 40 0 GGABRN O=C(CCc1ccccc1)NCc1cc(=O)n2nc(-c3cccs3)cc2[nH]1 ZINC000100769286 222461874 /nfs/dbraw/zinc/46/18/74/222461874.db2.gz RYUZHPFDMMXQON-UHFFFAOYSA-N 0 0 378.457 3.412 40 0 GGABRN CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)c2cc(C(C)C)n[nH]2)c2ccccn2)CC1 ZINC000100750335 222462496 /nfs/dbraw/zinc/46/24/96/222462496.db2.gz JGVNHNIBUCJIBD-FVJLSDCUSA-N 0 0 397.523 3.342 40 0 GGABRN CSCC[C@H](C(=O)NC1CCCCCC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000101403749 222471285 /nfs/dbraw/zinc/47/12/85/222471285.db2.gz XVZSNYSJASPZIJ-YESZJQIVSA-N 0 0 380.554 3.122 40 0 GGABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O ZINC000107328786 222510929 /nfs/dbraw/zinc/51/09/29/222510929.db2.gz GUUPAMIBFONLGQ-RTEYEHBSSA-N 0 0 376.453 3.051 40 0 GGABRN Cc1ccc(S(=O)(=O)N2CC[C@@]3(C[C@H]3C(=O)Nc3cccc(F)c3)C2)cc1 ZINC000107233755 222511333 /nfs/dbraw/zinc/51/13/33/222511333.db2.gz AASKVNUAPMVFFB-AZUAARDMSA-N 0 0 388.464 3.174 40 0 GGABRN COc1ccc(N(CCCC(=O)Nc2ccc(C)cc2C)S(C)(=O)=O)cc1 ZINC000113961814 222520134 /nfs/dbraw/zinc/52/01/34/222520134.db2.gz CVGMYGVFBGKJCR-UHFFFAOYSA-N 0 0 390.505 3.497 40 0 GGABRN Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 ZINC000113956777 222520205 /nfs/dbraw/zinc/52/02/05/222520205.db2.gz VTHQPDXALYIOCM-KBPBESRZSA-N 0 0 396.459 3.305 40 0 GGABRN CCOC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000113885743 222520337 /nfs/dbraw/zinc/52/03/37/222520337.db2.gz VSTYNPZEMNYTKQ-UHFFFAOYSA-N 0 0 397.880 3.497 40 0 GGABRN CCOC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000113884411 222520343 /nfs/dbraw/zinc/52/03/43/222520343.db2.gz ZEAVPZRRQOZRDE-UHFFFAOYSA-N 0 0 387.379 3.464 40 0 GGABRN Cc1ccc(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c(C)c1 ZINC000113957347 222520362 /nfs/dbraw/zinc/52/03/62/222520362.db2.gz SDPLOBHJHLTCLT-ZDUSSCGKSA-N 0 0 382.432 3.375 40 0 GGABRN CCOc1cccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c1 ZINC000113948601 222520425 /nfs/dbraw/zinc/52/04/25/222520425.db2.gz ZPHPBEWSCBTGAN-UHFFFAOYSA-N 0 0 382.869 3.040 40 0 GGABRN CCOC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000113879751 222520520 /nfs/dbraw/zinc/52/05/20/222520520.db2.gz AYOZAULDRJFVEG-UHFFFAOYSA-N 0 0 383.853 3.107 40 0 GGABRN Cc1ccc(C)c(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 ZINC000113957352 222520835 /nfs/dbraw/zinc/52/08/35/222520835.db2.gz HWPYCQDYEDDYLX-CYBMUJFWSA-N 0 0 382.432 3.375 40 0 GGABRN Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1 ZINC000113967776 222521465 /nfs/dbraw/zinc/52/14/65/222521465.db2.gz UYNGLFAVYVLDSW-HZPDHXFCSA-N 0 0 392.496 3.474 40 0 GGABRN C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1cccc(F)c1)S(C)(=O)=O ZINC000113967039 222521621 /nfs/dbraw/zinc/52/16/21/222521621.db2.gz CGJAHBUUNCOMTP-LIRRHRJNSA-N 0 0 390.480 3.174 40 0 GGABRN Cc1cccc(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 ZINC000113965341 222521647 /nfs/dbraw/zinc/52/16/47/222521647.db2.gz DLSQZOCCIQPCFK-UHFFFAOYSA-N 0 0 382.432 3.458 40 0 GGABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H](O)[C@](O)([C@@H](C)O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118918484 222523175 /nfs/dbraw/zinc/52/31/75/222523175.db2.gz FETKJXGUSROUEL-HQMUTGIZSA-N 0 0 394.552 3.044 40 0 GGABRN Cc1sc2ncc(C(=O)N3CCC(Cc4ccccc4)CC3)c(=O)n2c1C ZINC000183409453 222565287 /nfs/dbraw/zinc/56/52/87/222565287.db2.gz JVOUTYFOKANLGA-UHFFFAOYSA-N 0 0 381.501 3.468 40 0 GGABRN Cc1cc(OC2CN(C(=O)c3cc(Br)ccc3Cl)C2)cc(=O)o1 ZINC000206959794 222570159 /nfs/dbraw/zinc/57/01/59/222570159.db2.gz OUZKRCGBSLFHFR-UHFFFAOYSA-N 0 0 398.640 3.268 40 0 GGABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)c1 ZINC000408590050 533688196 /nfs/dbraw/zinc/68/81/96/533688196.db2.gz IVAFDZBLZFUHBS-MRXNPFEDSA-N 0 0 390.505 3.396 40 0 GGABRN COC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2)sc2c1CCN(C)C2 ZINC000408564488 533700220 /nfs/dbraw/zinc/70/02/20/533700220.db2.gz DFGPLYNBNRLOMA-RMKNXTFCSA-N 0 0 386.473 3.183 40 0 GGABRN Cc1ccc(C)n1NC(=O)c1ccc(N2C(=O)[C@@H]3CC=C(C)C[C@@H]3C2=O)cc1 ZINC000408686962 533727279 /nfs/dbraw/zinc/72/72/79/533727279.db2.gz SVJOPGRUQAWLNA-MOPGFXCFSA-N 0 0 377.444 3.335 40 0 GGABRN Cc1ccc(C)n1NC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@@H]3C2=O)c1 ZINC000408680761 533727326 /nfs/dbraw/zinc/72/73/26/533727326.db2.gz GLMQLWVGVDQIOB-BKTGTZMESA-N 0 0 379.460 3.414 40 0 GGABRN COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc(C(=O)OC)c1 ZINC000408680619 533883572 /nfs/dbraw/zinc/88/35/72/533883572.db2.gz OFSWPYUYAUJMCC-AWEZNQCLSA-N 0 0 385.416 3.283 40 0 GGABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000408609800 533884917 /nfs/dbraw/zinc/88/49/17/533884917.db2.gz SBBLJJIHKSBPTO-CYBMUJFWSA-N 0 0 396.896 3.271 40 0 GGABRN COc1cc(CNc2ccc(Br)cc2C)ccc1OCC(N)=O ZINC000408605441 533911548 /nfs/dbraw/zinc/91/15/48/533911548.db2.gz HFKICPBZHSVMBG-UHFFFAOYSA-N 0 0 379.254 3.242 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CC(C)CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000408615732 528064679 /nfs/dbraw/zinc/06/46/79/528064679.db2.gz RNEGEBHABGABBG-HNNXBMFYSA-N 0 0 397.450 3.203 40 0 GGABRN CCC[C@H](C)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408595220 528066955 /nfs/dbraw/zinc/06/69/55/528066955.db2.gz UIJOVCSBCMFFAE-JKSUJKDBSA-N 0 0 396.553 3.370 40 0 GGABRN CC1=C(C(N)=O)[C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)NC(=S)N1 ZINC000408987009 528084933 /nfs/dbraw/zinc/08/49/33/528084933.db2.gz UKAOVXXDOJAQJE-OAHLLOKOSA-N 0 0 375.538 3.265 40 0 GGABRN CCNC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022277689 528085389 /nfs/dbraw/zinc/08/53/89/528085389.db2.gz BHUFUCNAFJHZJC-UHFFFAOYSA-N 0 0 380.897 3.288 40 0 GGABRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(O)cc3)C(=O)[C@@H]2C1 ZINC000408687036 528122485 /nfs/dbraw/zinc/12/24/85/528122485.db2.gz TZDCBNLAGADBIO-FUHWJXTLSA-N 0 0 376.412 3.490 40 0 GGABRN CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(O)cc4)cc3)C(=O)[C@@H]2C1 ZINC000408675740 528123292 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CCCN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C1=O ZINC000409246698 528174992 /nfs/dbraw/zinc/17/49/92/528174992.db2.gz AMHBQHIHRSEKBB-CPNJWEJPSA-N 0 0 393.443 3.315 40 0 GGABRN CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCC(N)=O ZINC000408734976 528187589 /nfs/dbraw/zinc/18/75/89/528187589.db2.gz MFBJMBMLAVMZDX-UHFFFAOYSA-N 0 0 399.472 3.206 40 0 GGABRN CCCCCNC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000006596844 528192118 /nfs/dbraw/zinc/19/21/18/528192118.db2.gz JGVLZRZCXGDJKV-UHFFFAOYSA-N 0 0 388.533 3.492 40 0 GGABRN CCCCCNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000013584817 528198459 /nfs/dbraw/zinc/19/84/59/528198459.db2.gz KNIYEQWOCWAPJO-UHFFFAOYSA-N 0 0 390.505 3.197 40 0 GGABRN CCCCCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408586301 528215588 /nfs/dbraw/zinc/21/55/88/528215588.db2.gz BBYGQXUTKCJEHG-INIZCTEOSA-N 0 0 396.553 3.371 40 0 GGABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000408620229 528221952 /nfs/dbraw/zinc/22/19/52/528221952.db2.gz IWRDNVGNHRVFLR-UHFFFAOYSA-N 0 0 398.431 3.013 40 0 GGABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000408605598 528222081 /nfs/dbraw/zinc/22/20/81/528222081.db2.gz NCGMEMMTEIRVMO-UHFFFAOYSA-N 0 0 390.505 3.351 40 0 GGABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC2CCCCCCC2)cc1 ZINC000408613100 528222392 /nfs/dbraw/zinc/22/23/92/528222392.db2.gz ZUQOXJSYEGFFCM-UHFFFAOYSA-N 0 0 396.553 3.325 40 0 GGABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000408601059 528223057 /nfs/dbraw/zinc/22/30/57/528223057.db2.gz DXYYDECUMHXOAR-UHFFFAOYSA-N 0 0 396.896 3.388 40 0 GGABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 ZINC000408605594 528223207 /nfs/dbraw/zinc/22/32/07/528223207.db2.gz NBGGGCBWKUGGBG-UHFFFAOYSA-N 0 0 390.505 3.351 40 0 GGABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)C(C)C)cc1 ZINC000006630427 528225409 /nfs/dbraw/zinc/22/54/09/528225409.db2.gz CLVSGBITDBGETD-UHFFFAOYSA-N 0 0 385.489 3.322 40 0 GGABRN CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1C ZINC000408600747 528226331 /nfs/dbraw/zinc/22/63/31/528226331.db2.gz CEMIBYCOGUIJPD-UHFFFAOYSA-N 0 0 397.294 3.308 40 0 GGABRN CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(Br)c2)ccc1C ZINC000408601365 528227012 /nfs/dbraw/zinc/22/70/12/528227012.db2.gz GAPDOURIKFDDED-UHFFFAOYSA-N 0 0 397.294 3.308 40 0 GGABRN CCNC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000408701534 528245948 /nfs/dbraw/zinc/24/59/48/528245948.db2.gz ZKVOMUBUSRRPTH-UHFFFAOYSA-N 0 0 378.519 3.373 40 0 GGABRN CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1 ZINC000408615912 528274160 /nfs/dbraw/zinc/27/41/60/528274160.db2.gz UNEJRRXZPIBBIF-CQSZACIVSA-N 0 0 399.878 3.390 40 0 GGABRN CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000408614388 528275044 /nfs/dbraw/zinc/27/50/44/528275044.db2.gz BRVZMCOQTWEWAX-INIZCTEOSA-N 0 0 379.460 3.045 40 0 GGABRN CCNC(=S)N(Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000000884780 528276539 /nfs/dbraw/zinc/27/65/39/528276539.db2.gz SHJNOXOKDKTCNL-UHFFFAOYSA-N 0 0 387.530 3.495 40 0 GGABRN CCOc1cc(OCC)c(/C=C2/NC(=O)N(CC)C2=O)cc1Br ZINC000409234925 528333892 /nfs/dbraw/zinc/33/38/92/528333892.db2.gz ATXXAPXQGGLDNQ-XYOKQWHBSA-N 0 0 383.242 3.159 40 0 GGABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC[C@H]2CCCO2)cc1 ZINC000408675019 528351624 /nfs/dbraw/zinc/35/16/24/528351624.db2.gz FWZBKVZNYSIKJW-LJQANCHMSA-N 0 0 392.455 3.483 40 0 GGABRN CCNS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000408583963 528383431 /nfs/dbraw/zinc/38/34/31/528383431.db2.gz KWNCKKLDTIZTOC-QGZVFWFLSA-N 0 0 388.533 3.055 40 0 GGABRN CCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1OC ZINC000409389920 528385470 /nfs/dbraw/zinc/38/54/70/528385470.db2.gz QWXXTVBHJMIYQP-UHFFFAOYSA-N 0 0 390.505 3.034 40 0 GGABRN CCCNC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000409117667 528385588 /nfs/dbraw/zinc/38/55/88/528385588.db2.gz LVOJRXPWQLPQIP-UHFFFAOYSA-N 0 0 390.505 3.034 40 0 GGABRN CCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000020767018 528385653 /nfs/dbraw/zinc/38/56/53/528385653.db2.gz ZHPMMUUTARQRBV-UHFFFAOYSA-N 0 0 378.881 3.231 40 0 GGABRN CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)NC(C)C ZINC000408701059 528389149 /nfs/dbraw/zinc/38/91/49/528389149.db2.gz QPNQNOPHFMQPFO-UHFFFAOYSA-N 0 0 390.505 3.044 40 0 GGABRN CCOc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1COc1ccc(C)cc1 ZINC000224470621 528389946 /nfs/dbraw/zinc/38/99/46/528389946.db2.gz ZYGZLHZXOUZCBD-UHFFFAOYSA-N 0 0 396.487 3.310 40 0 GGABRN CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000408698133 528406602 /nfs/dbraw/zinc/40/66/02/528406602.db2.gz NZXJRIRBSWAEBS-UHFFFAOYSA-N 0 0 392.452 3.261 40 0 GGABRN CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1S(=O)(=O)NC(C)C ZINC000408700281 528406681 /nfs/dbraw/zinc/40/66/81/528406681.db2.gz CNBINBUCHRCHFS-UHFFFAOYSA-N 0 0 376.478 3.333 40 0 GGABRN CCCNC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000409132231 528420080 /nfs/dbraw/zinc/42/00/80/528420080.db2.gz WYXDBGTTYPCFSV-OAHLLOKOSA-N 0 0 376.478 3.160 40 0 GGABRN CCC(=O)Nc1cc(S(=O)(=O)NCc2ccccc2Cl)ccc1OC ZINC000408698264 528424872 /nfs/dbraw/zinc/42/48/72/528424872.db2.gz OKVKWSHAXKIRQS-UHFFFAOYSA-N 0 0 382.869 3.176 40 0 GGABRN CCC(=O)Nc1cc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)ccc1OC ZINC000408698906 528425001 /nfs/dbraw/zinc/42/50/01/528425001.db2.gz STEYYRXUPIJSDD-HNNXBMFYSA-N 0 0 390.505 3.343 40 0 GGABRN CCC(=O)Nc1cc(S(=O)(=O)Nc2cccc(C(C)=O)c2)ccc1OC ZINC000408697275 528425225 /nfs/dbraw/zinc/42/52/25/528425225.db2.gz IJPAKHKUZYQEAH-UHFFFAOYSA-N 0 0 376.434 3.047 40 0 GGABRN CCOc1ccc(CNC(=O)C(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000408709221 528437837 /nfs/dbraw/zinc/43/78/37/528437837.db2.gz QAHJEELSCXHJKP-UHFFFAOYSA-N 0 0 391.265 3.411 40 0 GGABRN CCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(CC)cc2)C1 ZINC000021450013 528470619 /nfs/dbraw/zinc/47/06/19/528470619.db2.gz AZMJTJSCZUNEOZ-KRWDZBQOSA-N 0 0 393.487 3.380 40 0 GGABRN CCOc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)cc1 ZINC000408906822 528481713 /nfs/dbraw/zinc/48/17/13/528481713.db2.gz IPFIFIZRODUTGI-CVEARBPZSA-N 0 0 390.505 3.117 40 0 GGABRN CCOc1ccc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000408628131 528501901 /nfs/dbraw/zinc/50/19/01/528501901.db2.gz URTNSDOSZJFRJS-UHFFFAOYSA-N 0 0 376.478 3.270 40 0 GGABRN CCCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000409124274 528504829 /nfs/dbraw/zinc/50/48/29/528504829.db2.gz AXYGUUDFQDOHOV-UHFFFAOYSA-N 0 0 380.897 3.452 40 0 GGABRN CCCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000409117542 528504898 /nfs/dbraw/zinc/50/48/98/528504898.db2.gz PEIVKBMZRWGDLH-UHFFFAOYSA-N 0 0 378.469 3.246 40 0 GGABRN CCCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000409144312 528505133 /nfs/dbraw/zinc/50/51/33/528505133.db2.gz FFIDICLEGNAWQX-UHFFFAOYSA-N 0 0 380.897 3.452 40 0 GGABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(C)c1 ZINC000408619039 528532691 /nfs/dbraw/zinc/53/26/91/528532691.db2.gz HRQURBSUYCERCI-UHFFFAOYSA-N 0 0 390.505 3.318 40 0 GGABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(C)c1 ZINC000408623606 528532811 /nfs/dbraw/zinc/53/28/11/528532811.db2.gz PDMVFMOGDOPDBZ-UHFFFAOYSA-N 0 0 396.896 3.354 40 0 GGABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(C)c1 ZINC000408624570 528532922 /nfs/dbraw/zinc/53/29/22/528532922.db2.gz QUJGCDBLTCXSDZ-UHFFFAOYSA-N 0 0 396.896 3.354 40 0 GGABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2C)c(C)c1 ZINC000408622928 528533004 /nfs/dbraw/zinc/53/30/04/528533004.db2.gz OEPCYGIHQXDCRC-UHFFFAOYSA-N 0 0 376.478 3.009 40 0 GGABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C)c2C)c(C)c1 ZINC000408627039 528533637 /nfs/dbraw/zinc/53/36/37/528533637.db2.gz XOPVAHCMZPZHPI-UHFFFAOYSA-N 0 0 390.505 3.318 40 0 GGABRN CCOc1ccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000113940148 528539215 /nfs/dbraw/zinc/53/92/15/528539215.db2.gz BKWHSNNBUUTNKQ-CYBMUJFWSA-N 0 0 380.441 3.018 40 0 GGABRN CCOc1ccc(NCc2ccc(OCC(N)=O)c(Br)c2)cc1 ZINC000408556174 528553515 /nfs/dbraw/zinc/55/35/15/528553515.db2.gz IWJDDKUKWPTLPF-UHFFFAOYSA-N 0 0 379.254 3.324 40 0 GGABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)CCC)c(Cl)c1 ZINC000408622191 528554764 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ZINC000000887220 564181175 /nfs/dbraw/zinc/18/11/75/564181175.db2.gz WHCSBSHQTDMCNC-GOSISDBHSA-N 0 0 379.503 3.449 40 0 GGABRN Cc1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1C[C@H]1CCCO1 ZINC000000915409 564181430 /nfs/dbraw/zinc/18/14/30/564181430.db2.gz HIKNDONVSKIXRT-CYBMUJFWSA-N 0 0 380.901 3.458 40 0 GGABRN CCn1ncc(Cl)c1C(=O)NC(=S)Nc1ccccc1Br ZINC000001003210 564182686 /nfs/dbraw/zinc/18/26/86/564182686.db2.gz QIZJEVWEWASDCJ-UHFFFAOYSA-N 0 0 387.690 3.446 40 0 GGABRN CCc1nc2sc3c(c2c(SCC(=O)N2CCOCC2)n1)CCCC3 ZINC000001223156 564184939 /nfs/dbraw/zinc/18/49/39/564184939.db2.gz PBPZBPYBQOYOGN-UHFFFAOYSA-N 0 0 377.535 3.083 40 0 GGABRN COc1ccccc1NC(=O)CSc1nnc(NC(=O)C(C)(C)C)s1 ZINC000001381707 564185261 /nfs/dbraw/zinc/18/52/61/564185261.db2.gz DZVVZWTYBVXVSQ-UHFFFAOYSA-N 0 0 380.495 3.262 40 0 GGABRN Cc1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)n1 ZINC000001324914 564185269 /nfs/dbraw/zinc/18/52/69/564185269.db2.gz GRHULTXTBPYPEO-CYBMUJFWSA-N 0 0 379.507 3.267 40 0 GGABRN O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)c1csnn1)C1CC1 ZINC000001378507 564185436 /nfs/dbraw/zinc/18/54/36/564185436.db2.gz LQFYPMGPQUMJJV-OAHLLOKOSA-N 0 0 376.507 3.004 40 0 GGABRN O=C(N[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)NC1CCCCC1 ZINC000001447098 564185691 /nfs/dbraw/zinc/18/56/91/564185691.db2.gz GWSUODLSTLIWFK-MRXNPFEDSA-N 0 0 385.917 3.083 40 0 GGABRN CC[C@H](C)C(=O)Nc1nnc(SCC(=O)N2CCc3ccccc32)s1 ZINC000001381474 564185758 /nfs/dbraw/zinc/18/57/58/564185758.db2.gz QKXHFNQJWAWYFP-NSHDSACASA-N 0 0 376.507 3.204 40 0 GGABRN CC(C)C(=O)Nc1nnc(SCC(=O)N2c3ccccc3C[C@H]2C)s1 ZINC000001381539 564185802 /nfs/dbraw/zinc/18/58/02/564185802.db2.gz PIDLWUVMRWSOLO-LLVKDONJSA-N 0 0 376.507 3.203 40 0 aggregator GGABRN O=C(CSc1nnc(NC(=O)C2CC2)s1)Nc1ccc(F)c(Cl)c1 ZINC000001371475 564185808 /nfs/dbraw/zinc/18/58/08/564185808.db2.gz VPYIYQSJVVTTEW-UHFFFAOYSA-N 0 0 386.861 3.410 40 0 GGABRN CC(C)c1nc2sc3c(c2c2nnc(SCC(N)=O)n21)CC[C@@H](C)C3 ZINC000001376515 564185981 /nfs/dbraw/zinc/18/59/81/564185981.db2.gz JAKBWVQZEIZPKN-SECBINFHSA-N 0 0 375.523 3.165 40 0 GGABRN O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000002467709 564187465 /nfs/dbraw/zinc/18/74/65/564187465.db2.gz GSZPFSVQZKSOHT-LLVKDONJSA-N 0 0 386.445 3.066 40 0 GGABRN COC(=O)[C@H](C)Sc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2 ZINC000002496916 564188292 /nfs/dbraw/zinc/18/82/92/564188292.db2.gz MYOGKECTMNUQGS-VIFPVBQESA-N 0 0 382.894 3.188 40 0 GGABRN Cc1nc2ccc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2s1 ZINC000002624081 564188351 /nfs/dbraw/zinc/18/83/51/564188351.db2.gz MWRZTOPDDNQIFL-UHFFFAOYSA-N 0 0 375.475 3.107 40 0 GGABRN CCOC(=O)[C@H](C)Sc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2 ZINC000002496882 564188516 /nfs/dbraw/zinc/18/85/16/564188516.db2.gz WIHRNYKNAQGZDU-JTQLQIEISA-N 0 0 380.466 3.064 40 0 GGABRN C[C@@H](OC(=O)C1=COCCO1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000002655407 564188565 /nfs/dbraw/zinc/18/85/65/564188565.db2.gz YHIADITWRWICOB-SSDOTTSWSA-N 0 0 380.611 3.405 40 0 GGABRN Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(CC(C)C)C2=O)c(Br)c1 ZINC000002623100 564188622 /nfs/dbraw/zinc/18/86/22/564188622.db2.gz OZROKLFCUCPIDG-KRWDZBQOSA-N 0 0 396.285 3.053 40 0 GGABRN Cn1ncc(Br)c1C(=O)Nc1ccn(Cc2ccc(Cl)cc2)n1 ZINC000002762576 564189476 /nfs/dbraw/zinc/18/94/76/564189476.db2.gz IXVCMMGYEZKZJO-UHFFFAOYSA-N 0 0 394.660 3.333 40 0 GGABRN COCCCNC(=O)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 ZINC000002725471 564189574 /nfs/dbraw/zinc/18/95/74/564189574.db2.gz ZJPLHYXYLNPKPS-UHFFFAOYSA-N 0 0 389.157 3.316 40 0 GGABRN O=C(CF)N[C@@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000003136766 564193162 /nfs/dbraw/zinc/19/31/62/564193162.db2.gz WJYDEAQWOBUNBW-VIFPVBQESA-N 0 0 393.098 3.408 40 0 GGABRN Cc1cc(C)n(-c2nc3nonc3nc2Nc2cccc(Br)c2)n1 ZINC000003092760 564193422 /nfs/dbraw/zinc/19/34/22/564193422.db2.gz GZEURVNCQATTLT-UHFFFAOYSA-N 0 0 386.213 3.321 40 0 GGABRN O=C1C(=Cc2cc(Br)ccc2O)NC(=S)N1c1ccccc1 ZINC000003150340 564193653 /nfs/dbraw/zinc/19/36/53/564193653.db2.gz JGWYVKDGPAFXMJ-LCYFTJDESA-N 0 0 375.247 3.417 40 0 GGABRN O=C(NCc1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000003241562 564193992 /nfs/dbraw/zinc/19/39/92/564193992.db2.gz KSQIBJFSMXRXSQ-UHFFFAOYSA-N 0 0 378.881 3.055 40 0 GGABRN O=C(COC(=O)c1ccc(Cl)nc1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000003237413 564194396 /nfs/dbraw/zinc/19/43/96/564194396.db2.gz IOTOFIKWUBLUQZ-UHFFFAOYSA-N 0 0 380.656 3.226 40 0 GGABRN Cc1ccccc1CS(=O)(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000115584166 564194945 /nfs/dbraw/zinc/19/49/45/564194945.db2.gz STRRUVCBEWXRNK-UHFFFAOYSA-N 0 0 377.853 3.318 40 0 GGABRN COC(=O)c1c2c(sc1NC(=O)CSc1nncs1)CCCCC2 ZINC000003389580 564195955 /nfs/dbraw/zinc/19/59/55/564195955.db2.gz RNTLRNTTWCPRGN-UHFFFAOYSA-N 0 0 383.520 3.386 40 0 GGABRN COc1ccc(OCCSc2nnc(-c3ccc(Cl)cc3)n2N)cc1 ZINC000003373663 564196226 /nfs/dbraw/zinc/19/62/26/564196226.db2.gz PZVYCNYCCPCIKN-UHFFFAOYSA-N 0 0 376.869 3.492 40 0 GGABRN COc1ccccc1CNC(=O)COC(=O)Cc1ccc(Cl)cc1Cl ZINC000003395312 564196517 /nfs/dbraw/zinc/19/65/17/564196517.db2.gz NFSNMYRCRGOWSP-UHFFFAOYSA-N 0 0 382.243 3.404 40 0 GGABRN COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccc(Br)cc1 ZINC000003397438 564196583 /nfs/dbraw/zinc/19/65/83/564196583.db2.gz NMTYWJINQPHPMC-UHFFFAOYSA-N 0 0 394.221 3.262 40 0 GGABRN CN(C(=O)CSc1nnc(-c2cccc(Cl)c2)n1N)C1CCCCC1 ZINC000003472611 564197521 /nfs/dbraw/zinc/19/75/21/564197521.db2.gz DQIAYBPDITUSRE-UHFFFAOYSA-N 0 0 379.917 3.196 40 0 GGABRN CCn1c(SCC(=O)NCC(F)(F)F)nnc1-c1ccc(Cl)cc1 ZINC000003498919 564198067 /nfs/dbraw/zinc/19/80/67/564198067.db2.gz KSJFGXZNRMMNEF-UHFFFAOYSA-N 0 0 378.807 3.389 40 0 GGABRN CC(C)C(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1 ZINC000003654173 564199862 /nfs/dbraw/zinc/19/98/62/564199862.db2.gz LPXZGDXPFOYJSG-UHFFFAOYSA-N 0 0 377.443 3.232 40 0 GGABRN O=C(NCc1cccs1)C1CCC(CNS(=O)(=O)c2cccs2)CC1 ZINC000004110682 564200923 /nfs/dbraw/zinc/20/09/23/564200923.db2.gz JTCOJXZSPKIZKO-UHFFFAOYSA-N 0 0 398.575 3.211 40 0 GGABRN CCn1c(SCC(=O)Nc2cccc(C)c2)nc2c(c1=O)S[C@@H](C)C2 ZINC000004107865 564201145 /nfs/dbraw/zinc/20/11/45/564201145.db2.gz XQGDOODRURYZAR-LBPRGKRZSA-N 0 0 375.519 3.339 40 0 GGABRN CCn1c(=O)c2c(nc1SCC(=O)Nc1ccccc1F)C[C@H](C)S2 ZINC000004107860 564201356 /nfs/dbraw/zinc/20/13/56/564201356.db2.gz TWSQMOYLONQAKE-JTQLQIEISA-N 0 0 379.482 3.170 40 0 GGABRN CCn1c(=O)c2c(nc1SCC(=O)Nc1ccccc1F)C[C@@H](C)S2 ZINC000004107861 564201565 /nfs/dbraw/zinc/20/15/65/564201565.db2.gz TWSQMOYLONQAKE-SNVBAGLBSA-N 0 0 379.482 3.170 40 0 GGABRN CC(C)(C)CC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 ZINC000004341943 564201925 /nfs/dbraw/zinc/20/19/25/564201925.db2.gz ODWIHPZVNFUQPV-UHFFFAOYSA-N 0 0 381.885 3.329 40 0 GGABRN C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)NC1CCCCC1 ZINC000004315353 564202479 /nfs/dbraw/zinc/20/24/79/564202479.db2.gz PGEHSBNSRGPDPX-LLVKDONJSA-N 0 0 379.917 3.242 40 0 GGABRN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)c2ccccc2Cl)cc1 ZINC000004285310 564202529 /nfs/dbraw/zinc/20/25/29/564202529.db2.gz SUJRQXHQMPAPAJ-UHFFFAOYSA-N 0 0 380.849 3.238 40 0 GGABRN C[C@@H]1CCCCN1C(=O)CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000004469087 564202857 /nfs/dbraw/zinc/20/28/57/564202857.db2.gz FYUGZUSXQYYUTK-LLVKDONJSA-N 0 0 377.535 3.357 40 0 GGABRN CCCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccoc1C ZINC000004388863 564203133 /nfs/dbraw/zinc/20/31/33/564203133.db2.gz ZCUSBDQJTWWTPD-UHFFFAOYSA-N 0 0 378.483 3.147 40 0 GGABRN O=C(CCN1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1cc(Cl)ccc1Cl ZINC000004553924 564204257 /nfs/dbraw/zinc/20/42/57/564204257.db2.gz ZQFLXLPCLVVAOB-UIHHKEIPSA-N 0 0 381.259 3.353 40 0 GGABRN COc1ccc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)c(OC)c1 ZINC000004716469 564206128 /nfs/dbraw/zinc/20/61/28/564206128.db2.gz ZXIXHNZFYAEISI-UHFFFAOYSA-N 0 0 384.278 3.167 40 0 GGABRN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(Br)ccc1O ZINC000004808106 564207273 /nfs/dbraw/zinc/20/72/73/564207273.db2.gz OKUINYJKEMCMEZ-LLVKDONJSA-N 0 0 390.233 3.289 40 0 GGABRN CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000004880065 564208121 /nfs/dbraw/zinc/20/81/21/564208121.db2.gz YDXDAPSGESSJLX-UHFFFAOYSA-N 0 0 378.519 3.350 40 0 GGABRN O=C(Nc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000004880044 564208266 /nfs/dbraw/zinc/20/82/66/564208266.db2.gz CORILWCKVBNTHY-UHFFFAOYSA-N 0 0 384.910 3.441 40 0 GGABRN O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000004904658 564209647 /nfs/dbraw/zinc/20/96/47/564209647.db2.gz FOZAGHOTYIIDKG-GFCCVEGCSA-N 0 0 384.910 3.441 40 0 GGABRN O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000004904671 564209673 /nfs/dbraw/zinc/20/96/73/564209673.db2.gz FOZAGHOTYIIDKG-LBPRGKRZSA-N 0 0 384.910 3.441 40 0 GGABRN CC(=O)C[C@]1(O)c2cc(Br)ccc2N(Cc2ccc(C)cc2)C1=O ZINC000004988115 564210382 /nfs/dbraw/zinc/21/03/82/564210382.db2.gz DQWBIHCRAOFWPY-IBGZPJMESA-N 0 0 388.261 3.471 40 0 GGABRN O=C(CN(C(=O)c1csnn1)c1ccc(F)c(Cl)c1)NC1CCCC1 ZINC000004964762 564210526 /nfs/dbraw/zinc/21/05/26/564210526.db2.gz FQSSIBRPIQXARA-UHFFFAOYSA-N 0 0 382.848 3.036 40 0 GGABRN O=C(C1CC1)N1CCc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc21 ZINC000004971396 564210534 /nfs/dbraw/zinc/21/05/34/564210534.db2.gz IERNHXDWUKYWCN-UHFFFAOYSA-N 0 0 376.865 3.440 40 0 GGABRN CCSc1nc2c(c(=O)[nH]1)[C@H](c1cc(Br)ccc1F)CC(=O)N2 ZINC000004944257 564210570 /nfs/dbraw/zinc/21/05/70/564210570.db2.gz DJYFLPHOLMAJGJ-VIFPVBQESA-N 0 0 398.257 3.258 40 0 GGABRN CCOC(=O)CSc1nc2sc(CC)cc2c(=O)n1Cc1ccco1 ZINC000005001000 564210597 /nfs/dbraw/zinc/21/05/97/564210597.db2.gz CSQREJLCDDQOSF-UHFFFAOYSA-N 0 0 378.475 3.317 40 0 GGABRN CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cc(Br)ccc1F)CC(=O)N2 ZINC000004944256 564210883 /nfs/dbraw/zinc/21/08/83/564210883.db2.gz DJYFLPHOLMAJGJ-SECBINFHSA-N 0 0 398.257 3.258 40 0 GGABRN CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(SC)cc1 ZINC000004944588 564210906 /nfs/dbraw/zinc/21/09/06/564210906.db2.gz DQEZVTCSTZEEKA-CYBMUJFWSA-N 0 0 375.519 3.478 40 0 GGABRN Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000005237534 564214433 /nfs/dbraw/zinc/21/44/33/564214433.db2.gz RMUOWYZVHNBSPF-UHFFFAOYSA-N 0 0 377.775 3.481 40 0 GGABRN O=C(Cn1cc(C(F)(F)F)ccc1=O)NCCSc1ccc(Cl)cc1 ZINC000005349661 564215149 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564217801 /nfs/dbraw/zinc/21/78/01/564217801.db2.gz WWLMQPPPLYRKDN-UHFFFAOYSA-N 0 0 387.226 3.349 40 0 GGABRN CCc1nnc(NC(=S)NC(=O)COc2ccc(C(C)(C)C)cc2)s1 ZINC000005667911 564218851 /nfs/dbraw/zinc/21/88/51/564218851.db2.gz XOIPOUANYDABDH-UHFFFAOYSA-N 0 0 378.523 3.290 40 0 GGABRN COc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1Br ZINC000005885320 564219360 /nfs/dbraw/zinc/21/93/60/564219360.db2.gz UDPKGNWUTDQKFO-UHFFFAOYSA-N 0 0 399.266 3.217 40 0 GGABRN CCN(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000006205025 564221362 /nfs/dbraw/zinc/22/13/62/564221362.db2.gz KPMFPERVWNHGRV-UHFFFAOYSA-N 0 0 380.897 3.009 40 0 GGABRN COC(=O)COc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1C ZINC000006213878 564221448 /nfs/dbraw/zinc/22/14/48/564221448.db2.gz RDJFWLMHGKWKMD-UHFFFAOYSA-N 0 0 381.475 3.070 40 0 GGABRN C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000006230541 564221580 /nfs/dbraw/zinc/22/15/80/564221580.db2.gz MSCHFUNMGMOGCD-RISCZKNCSA-N 0 0 393.336 3.309 40 0 GGABRN 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C[C@H]1CCCN(C(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)C1 ZINC000010541371 564258892 /nfs/dbraw/zinc/25/88/92/564258892.db2.gz UWYMGRHBRILSKZ-NSHDSACASA-N 0 0 379.309 3.018 40 0 GGABRN C[C@@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000010967396 564260780 /nfs/dbraw/zinc/26/07/80/564260780.db2.gz RYLNQJGYQRRTBS-CHWSQXEVSA-N 0 0 381.881 3.388 40 0 GGABRN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)NCc1ccco1 ZINC000012249526 564266763 /nfs/dbraw/zinc/26/67/63/564266763.db2.gz OHFCMWUCJYYZAU-UHFFFAOYSA-N 0 0 379.825 3.304 40 0 GGABRN COc1ccc(OC)c(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c1 ZINC000012598650 564269171 /nfs/dbraw/zinc/26/91/71/564269171.db2.gz NFYPQACGOVZTSQ-UHFFFAOYSA-N 0 0 380.897 3.377 40 0 GGABRN Cc1ccc(OCc2nnc3n2c2ccccc2c(=O)n3C)c(Br)c1 ZINC000012563938 564269336 /nfs/dbraw/zinc/26/93/36/564269336.db2.gz TTYJPINODICOTP-UHFFFAOYSA-N 0 0 399.248 3.231 40 0 GGABRN O=C(COc1ccc(Cl)cc1Br)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000012780223 564271628 /nfs/dbraw/zinc/27/16/28/564271628.db2.gz UVFVISVCUPHQDY-UHFFFAOYSA-N 0 0 396.628 3.290 40 0 GGABRN C[C@H]1Cc2ccccc2N1C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013648401 564277404 /nfs/dbraw/zinc/27/74/04/564277404.db2.gz JRAJDQSTNNXBLD-ZDUSSCGKSA-N 0 0 378.881 3.084 40 0 GGABRN COC(=O)c1cccc(NS(=O)(=O)Cc2ccc(Br)cc2)c1 ZINC000013646986 564277423 /nfs/dbraw/zinc/27/74/23/564277423.db2.gz IFFWVNFWYOAHDR-UHFFFAOYSA-N 0 0 384.251 3.178 40 0 GGABRN Cc1ccc(Cl)cc1N(CCCC(=O)N1CCC(C)CC1)S(C)(=O)=O ZINC000013676860 564278261 /nfs/dbraw/zinc/27/82/61/564278261.db2.gz SIMSXLOLDHQXAS-UHFFFAOYSA-N 0 0 386.945 3.453 40 0 GGABRN O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000014019239 564278413 /nfs/dbraw/zinc/27/84/13/564278413.db2.gz PQLKFLUJRYMWFE-AWEZNQCLSA-N 0 0 378.881 3.379 40 0 GGABRN CNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC ZINC000013679778 564278449 /nfs/dbraw/zinc/27/84/49/564278449.db2.gz CDCHPGYQDZVUPZ-UHFFFAOYSA-N 0 0 389.260 3.162 40 0 GGABRN CS(=O)(=O)N(CC(=O)N1CCCc2ccccc21)c1ccc(Cl)cc1 ZINC000013673959 564278464 /nfs/dbraw/zinc/27/84/64/564278464.db2.gz CAWBGHZJVPKTOY-UHFFFAOYSA-N 0 0 378.881 3.085 40 0 GGABRN Cc1ccc(Cl)cc1N(CCCC(=O)Nc1cccnc1)S(C)(=O)=O ZINC000013680350 564278496 /nfs/dbraw/zinc/27/84/96/564278496.db2.gz SYJPAVAOWZEPMS-UHFFFAOYSA-N 0 0 381.885 3.228 40 0 GGABRN CCN(CC)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000014401148 564282361 /nfs/dbraw/zinc/28/23/61/564282361.db2.gz HGAFUYVNSNNHJR-UHFFFAOYSA-N 0 0 381.325 3.408 40 0 GGABRN CCOc1ccc(C(=O)NC(=S)NCc2ccco2)cc1Br ZINC000014770676 564283131 /nfs/dbraw/zinc/28/31/31/564283131.db2.gz XHINTRGUYLASOA-UHFFFAOYSA-N 0 0 383.267 3.245 40 0 GGABRN CCOC(=O)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F ZINC000016682919 564295291 /nfs/dbraw/zinc/29/52/91/564295291.db2.gz FKEKUUNWPYGYPF-LBPRGKRZSA-N 0 0 381.148 3.266 40 0 GGABRN Cc1nc(NC(=S)NC(=O)c2ccccc2)ccc1I ZINC000017081209 564297155 /nfs/dbraw/zinc/29/71/55/564297155.db2.gz HYTUJEHGWOYAKY-UHFFFAOYSA-N 0 0 397.241 3.121 40 0 GGABRN Cc1csc([C@H](Cc2ccsc2)NC(=O)CCCN2CCCC2=O)n1 ZINC000019240161 564302879 /nfs/dbraw/zinc/30/28/79/564302879.db2.gz BNCHNFXNIDVSEE-HNNXBMFYSA-N 0 0 377.535 3.316 40 0 GGABRN Cc1ccsc1CN1CCC[C@H](C2=NS(=O)(=O)c3ccccc3N2)C1 ZINC000019238623 564303046 /nfs/dbraw/zinc/30/30/46/564303046.db2.gz OPUAVIKINMWSQQ-AWEZNQCLSA-N 0 0 375.519 3.481 40 0 GGABRN CCc1nnsc1C(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 ZINC000019521913 564303086 /nfs/dbraw/zinc/30/30/86/564303086.db2.gz QHOIWVCSEQAJQX-UHFFFAOYSA-N 0 0 376.463 3.494 40 0 GGABRN Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(SCC(N)=O)s3)o2)cc1 ZINC000019298021 564303221 /nfs/dbraw/zinc/30/32/21/564303221.db2.gz LNSXDZZOCRPLPA-SECBINFHSA-N 0 0 393.519 3.327 40 0 GGABRN CC(C)n1nnc(CC(=O)Nc2ncc(Cc3ccccc3Cl)s2)n1 ZINC000019455065 564303360 /nfs/dbraw/zinc/30/33/60/564303360.db2.gz CFRPIWSZYQVRBT-UHFFFAOYSA-N 0 0 376.873 3.136 40 0 GGABRN Cc1ncsc1-c1nnc([C@@H]2CCCN2S(=O)(=O)C2CCCCC2)o1 ZINC000019563071 564303516 /nfs/dbraw/zinc/30/35/16/564303516.db2.gz NRSGSXPIHYVRPY-ZDUSSCGKSA-N 0 0 382.511 3.301 40 0 GGABRN O=S(=O)(c1cccc(F)c1)N1CCC[C@@H]1c1nnc(-c2cccs2)o1 ZINC000019331138 564303542 /nfs/dbraw/zinc/30/35/42/564303542.db2.gz SEVVVNZOSZVFTK-CYBMUJFWSA-N 0 0 379.438 3.463 40 0 GGABRN C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)c1ccc(Br)cc1 ZINC000019936474 564304132 /nfs/dbraw/zinc/30/41/32/564304132.db2.gz VLAHRPXDKONFOH-VIFPVBQESA-N 0 0 397.250 3.335 40 0 GGABRN CCn1c2ccc(S(=O)(=O)N[C@H](C)c3ccc(Cl)cc3)cc2oc1=O ZINC000019936873 564304188 /nfs/dbraw/zinc/30/41/88/564304188.db2.gz TYKLSHPUMARADC-LLVKDONJSA-N 0 0 380.853 3.307 40 0 GGABRN Cn1cc(C(N)=O)c(CC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000019756441 564304530 /nfs/dbraw/zinc/30/45/30/564304530.db2.gz DFTWELWNXQMLIH-UHFFFAOYSA-N 0 0 381.307 3.281 40 0 GGABRN CCN(c1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000020112394 564305101 /nfs/dbraw/zinc/30/51/01/564305101.db2.gz WSNYSUPKNMRHOY-UHFFFAOYSA-N 0 0 380.897 3.398 40 0 GGABRN CCN(CC(=O)Nc1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020014133 564305338 /nfs/dbraw/zinc/30/53/38/564305338.db2.gz YUBIGZGMJIXPSC-UHFFFAOYSA-N 0 0 388.823 3.268 40 0 GGABRN CS(=O)(=O)N(CC(=O)Nc1cc(F)ccc1F)Cc1ccc(Cl)cc1 ZINC000020014273 564305569 /nfs/dbraw/zinc/30/55/69/564305569.db2.gz UFSOQCIIAIXMBN-UHFFFAOYSA-N 0 0 388.823 3.019 40 0 GGABRN Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000020604547 564306192 /nfs/dbraw/zinc/30/61/92/564306192.db2.gz LCGHSAKNPGTFHS-UHFFFAOYSA-N 0 0 381.885 3.016 40 0 GGABRN CC[C@H](NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1 ZINC000020460168 564306290 /nfs/dbraw/zinc/30/62/90/564306290.db2.gz BCVWSDGXCNSGQR-KRWDZBQOSA-N 0 0 380.897 3.374 40 0 GGABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(F)c2)cc1Cl ZINC000020457675 564306724 /nfs/dbraw/zinc/30/67/24/564306724.db2.gz BJHGXCUBNHAYKV-UHFFFAOYSA-N 0 0 387.816 3.465 40 0 GGABRN Cn1cccc1[C@H](CNC(=O)c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000021152234 564308914 /nfs/dbraw/zinc/30/89/14/564308914.db2.gz HDXDGZYQFIDHHV-KRWDZBQOSA-N 0 0 382.291 3.135 40 0 GGABRN CCOC(=O)CSc1nnc(NC(=O)CSc2ccc(C)cc2)s1 ZINC000021194837 564309319 /nfs/dbraw/zinc/30/93/19/564309319.db2.gz WRJCWLNSUPTNER-UHFFFAOYSA-N 0 0 383.520 3.233 40 0 GGABRN CCN1CCN(C(=O)[C@@H](C)Sc2nn(-c3ccccc3)c(=S)s2)CC1 ZINC000021128468 564309348 /nfs/dbraw/zinc/30/93/48/564309348.db2.gz FJZQGMJBXPTVDR-CYBMUJFWSA-N 0 0 394.591 3.308 40 0 GGABRN Cc1cn2c(nc(COC(=O)c3ccc(Br)cc3)cc2=O)s1 ZINC000021538570 564311044 /nfs/dbraw/zinc/31/10/44/564311044.db2.gz SFPNSDAPUCTBSD-UHFFFAOYSA-N 0 0 379.235 3.184 40 0 GGABRN Cc1cn2c(nc(COC(=O)c3ccccc3Br)cc2=O)s1 ZINC000021538530 564311132 /nfs/dbraw/zinc/31/11/32/564311132.db2.gz MAUBQNVHFMCRLZ-UHFFFAOYSA-N 0 0 379.235 3.184 40 0 GGABRN COc1ccc(Cl)cc1NC(=O)Cc1sc(N2CCCCC2)nc1O ZINC000021859373 564312060 /nfs/dbraw/zinc/31/20/60/564312060.db2.gz WFBNPSHNYFKTDH-CQSZACIVSA-N 0 0 381.885 3.161 40 0 GGABRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCO[C@@H](C)C1 ZINC000022131284 564313866 /nfs/dbraw/zinc/31/38/66/564313866.db2.gz IIKDLLOKMFVFHR-BLLLJJGKSA-N 0 0 387.307 3.385 40 0 GGABRN CCCCCNC(=O)COc1ccc(Cl)cc1S(=O)(=O)N(CC)CC ZINC000022248935 564315411 /nfs/dbraw/zinc/31/54/11/564315411.db2.gz SLISDDGERHZOJV-UHFFFAOYSA-N 0 0 390.933 3.056 40 0 GGABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2cccc(Cl)c2C)cc1 ZINC000022277717 564315589 /nfs/dbraw/zinc/31/55/89/564315589.db2.gz BICGQQUFKYMBFQ-UHFFFAOYSA-N 0 0 380.897 3.240 40 0 GGABRN CN(C)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000022278657 564315618 /nfs/dbraw/zinc/31/56/18/564315618.db2.gz ORNHEOITQMZDTH-UHFFFAOYSA-N 0 0 387.288 3.277 40 0 GGABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000022256771 564315629 /nfs/dbraw/zinc/31/56/29/564315629.db2.gz ZMEUEPTWDXNKSN-UHFFFAOYSA-N 0 0 399.881 3.281 40 0 GGABRN CCOc1cccc(N(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000022380290 564316150 /nfs/dbraw/zinc/31/61/50/564316150.db2.gz PJHPXPIKTOKKPL-UHFFFAOYSA-N 0 0 382.869 3.143 40 0 GGABRN O=C(CCn1cnc2ccc(Br)cc2c1=O)OC1CCCCC1 ZINC000022410057 564316245 /nfs/dbraw/zinc/31/62/45/564316245.db2.gz DRRWNSQVJZVEIT-UHFFFAOYSA-N 0 0 379.254 3.425 40 0 GGABRN C[C@@H](NC(=O)Cn1cc(Br)ccc1=O)c1cc2ccccc2o1 ZINC000022320105 564316292 /nfs/dbraw/zinc/31/62/92/564316292.db2.gz KUEGBZCFWPOGME-LLVKDONJSA-N 0 0 375.222 3.234 40 0 GGABRN C[C@H](NC(=O)Cn1cc(Br)ccc1=O)c1cc2ccccc2o1 ZINC000022320108 564316426 /nfs/dbraw/zinc/31/64/26/564316426.db2.gz KUEGBZCFWPOGME-NSHDSACASA-N 0 0 375.222 3.234 40 0 GGABRN C[C@@]1(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCS(=O)(=O)C1 ZINC000022548910 564316983 /nfs/dbraw/zinc/31/69/83/564316983.db2.gz INYPJWCRKFJNEZ-GFCCVEGCSA-N 0 0 389.317 3.031 40 0 GGABRN CCN(CC)[C@H](CNS(=O)(=O)N1CCCCCC1)c1ccccc1Cl ZINC000022412532 564317280 /nfs/dbraw/zinc/31/72/80/564317280.db2.gz IQFSJIRAEZJELO-GOSISDBHSA-N 0 0 387.977 3.433 40 0 GGABRN COC[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000022624328 564318256 /nfs/dbraw/zinc/31/82/56/564318256.db2.gz OPFQXHKSEKDLEG-ABAIWWIYSA-N 0 0 375.296 3.289 40 0 GGABRN COc1ccccc1[C@@H](NC(=O)c1ccc(Br)o1)c1nccn1C ZINC000022750186 564318781 /nfs/dbraw/zinc/31/87/81/564318781.db2.gz SCVAUCFJKIXKJL-OAHLLOKOSA-N 0 0 390.237 3.304 40 0 GGABRN O=C(CN1CCN(Cc2ccsc2)CC1)Nc1ccc(Br)cc1 ZINC000022912694 564319926 /nfs/dbraw/zinc/31/99/26/564319926.db2.gz ZORUUEDXWIYACQ-UHFFFAOYSA-N 0 0 394.338 3.267 40 0 GGABRN O=C(c1cc2cc(Br)ccc2[nH]1)N1CCN(c2nccs2)CC1 ZINC000023023108 564320983 /nfs/dbraw/zinc/32/09/83/564320983.db2.gz XHSLBWXJEMPFMZ-UHFFFAOYSA-N 0 0 391.294 3.349 40 0 GGABRN CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000023026139 564321442 /nfs/dbraw/zinc/32/14/42/564321442.db2.gz UPUWNPOEWLCLIM-UHFFFAOYSA-N 0 0 378.881 3.053 40 0 GGABRN O=S(=O)(NCCOc1cccc(C(F)(F)F)c1)c1cc(F)ccc1F ZINC000023143571 564322197 /nfs/dbraw/zinc/32/21/97/564322197.db2.gz PYSBJAVPEFESGM-UHFFFAOYSA-N 0 0 381.322 3.341 40 0 GGABRN COC(=O)C(C)(C)NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C ZINC000023176670 564323362 /nfs/dbraw/zinc/32/33/62/564323362.db2.gz YEXRKLIWUUSYJM-UHFFFAOYSA-N 0 0 382.869 3.365 40 0 GGABRN O=C(c1ccc(Cl)cc1)N1CCCC[C@H](Sc2cccc[n+]2[O-])C1=O ZINC000023515441 564325563 /nfs/dbraw/zinc/32/55/63/564325563.db2.gz WCFSMNYBELJRTP-HNNXBMFYSA-N 0 0 376.865 3.287 40 0 GGABRN COc1ccc(NC(=O)NC(=O)COc2ccc(F)cc2Br)cc1 ZINC000023494876 564325571 /nfs/dbraw/zinc/32/55/71/564325571.db2.gz KRFGKPJLNCOWGM-UHFFFAOYSA-N 0 0 397.200 3.324 40 0 GGABRN CCN(CC)C(=O)CSc1nnc(S[C@H](C)c2ccccc2Cl)n1N ZINC000023599193 564326267 /nfs/dbraw/zinc/32/62/67/564326267.db2.gz HGQPOIVATMFTNO-LLVKDONJSA-N 0 0 399.973 3.459 40 0 GGABRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000024029986 564328600 /nfs/dbraw/zinc/32/86/00/564328600.db2.gz IJAZKSGKNYHYJU-UHFFFAOYSA-N 0 0 387.249 3.281 40 0 GGABRN Cn1ccnc1[C@H](NC(=O)c1cc(Br)c[nH]1)c1cccc(F)c1 ZINC000024016162 564328894 /nfs/dbraw/zinc/32/88/94/564328894.db2.gz AEPNJXZTFLMLMI-CQSZACIVSA-N 0 0 377.217 3.169 40 0 GGABRN COC(=O)c1cccc(OS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000024263615 564329578 /nfs/dbraw/zinc/32/95/78/564329578.db2.gz MOZWUFZXOURENS-UHFFFAOYSA-N 0 0 376.308 3.140 40 0 GGABRN COC(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000024257260 564329802 /nfs/dbraw/zinc/32/98/02/564329802.db2.gz XXKXMMGQAWDHJN-UHFFFAOYSA-N 0 0 384.251 3.345 40 0 GGABRN Cc1cc(S(=O)(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c(C)s1 ZINC000024458793 564330926 /nfs/dbraw/zinc/33/09/26/564330926.db2.gz OPZUIXPNEGTOPA-UHFFFAOYSA-N 0 0 398.937 3.165 40 0 GGABRN COc1cccc(NC(=O)N2CCN(c3ccc(Br)cn3)CC2)c1 ZINC000024527432 564331622 /nfs/dbraw/zinc/33/16/22/564331622.db2.gz BGIGJZPRVPDRSJ-UHFFFAOYSA-N 0 0 391.269 3.207 40 0 GGABRN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)/C=C/c1ccc(Cl)s1 ZINC000025064229 564335732 /nfs/dbraw/zinc/33/57/32/564335732.db2.gz ZDXVTLRIGONLTE-RUYJGKKWSA-N 0 0 384.910 3.282 40 0 GGABRN CCc1nnsc1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000025339701 564337539 /nfs/dbraw/zinc/33/75/39/564337539.db2.gz KNAYWKVTYGZOPO-UHFFFAOYSA-N 0 0 379.795 3.010 40 0 GGABRN Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000026105810 564343828 /nfs/dbraw/zinc/34/38/28/564343828.db2.gz XBMRPXLVXSQNKW-UHFFFAOYSA-N 0 0 387.288 3.010 40 0 GGABRN CC[C@H](C)NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCC(C)CC2)c1 ZINC000026118056 564344377 /nfs/dbraw/zinc/34/43/77/564344377.db2.gz SJUMGYHVUKTHLB-AWEZNQCLSA-N 0 0 384.567 3.357 40 0 GGABRN CNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(Br)cc1 ZINC000027065625 564351492 /nfs/dbraw/zinc/35/14/92/564351492.db2.gz HWSOYYRWWPSGCL-UHFFFAOYSA-N 0 0 393.237 3.078 40 0 GGABRN CCOC(=O)c1ccc(OCc2nc3ncccn3c2Br)cc1 ZINC000027029419 564352033 /nfs/dbraw/zinc/35/20/33/564352033.db2.gz GRKUELQXTXOLKD-UHFFFAOYSA-N 0 0 376.210 3.248 40 0 GGABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000027384673 564353630 /nfs/dbraw/zinc/35/36/30/564353630.db2.gz FJWTZHLOWKEPMV-UHFFFAOYSA-N 0 0 378.215 3.298 40 0 GGABRN Cn1cnc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c1Cl ZINC000027976791 564358524 /nfs/dbraw/zinc/35/85/24/564358524.db2.gz FVJXKGFOJYCLOL-INIZCTEOSA-N 0 0 375.881 3.336 40 0 GGABRN Cn1cnc(S(=O)(=O)N[C@H](Cc2ccccc2)c2ccccc2)c1Cl ZINC000027976794 564358589 /nfs/dbraw/zinc/35/85/89/564358589.db2.gz FVJXKGFOJYCLOL-MRXNPFEDSA-N 0 0 375.881 3.336 40 0 GGABRN C[C@@H](Oc1ccccc1Br)C(=O)NCc1ccc2c(c1)OCO2 ZINC000027974905 564358676 /nfs/dbraw/zinc/35/86/76/564358676.db2.gz RTABEPFRCBBHOW-LLVKDONJSA-N 0 0 378.222 3.262 40 0 GGABRN Cc1cc(C(F)(F)F)nn1CCC(=O)Nc1ccc(Br)cn1 ZINC000028230734 564360610 /nfs/dbraw/zinc/36/06/10/564360610.db2.gz WRYVLJNZQKLEQC-UHFFFAOYSA-N 0 0 377.164 3.397 40 0 GGABRN CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(OC)cc1 ZINC000028189284 564360651 /nfs/dbraw/zinc/36/06/51/564360651.db2.gz BXTCXYRCCUOLST-UHFFFAOYSA-N 0 0 379.463 3.018 40 0 GGABRN CCn1nccc1CN(C)C(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C ZINC000028234258 564360736 /nfs/dbraw/zinc/36/07/36/564360736.db2.gz ZNKQEUTXZQBMCQ-JTQLQIEISA-N 0 0 377.798 3.300 40 0 GGABRN Cc1ccccc1Cn1cc(NC(=O)CCn2cc(Br)cn2)cn1 ZINC000028229802 564360750 /nfs/dbraw/zinc/36/07/50/564360750.db2.gz DVYDDWWIKMREQE-UHFFFAOYSA-N 0 0 388.269 3.228 40 0 GGABRN Cc1cc(NC(=O)c2nn(C)cc2Br)n(-c2ccc(F)cc2)n1 ZINC000028244677 564361503 /nfs/dbraw/zinc/36/15/03/564361503.db2.gz PIVZMXZQTWZZCS-UHFFFAOYSA-N 0 0 378.205 3.068 40 0 GGABRN Cc1nn(CC(=O)Nc2ccn(Cc3ccccc3)n2)c(C)c1Br ZINC000028247598 564361570 /nfs/dbraw/zinc/36/15/70/564361570.db2.gz ANSZKNIARZMGGY-UHFFFAOYSA-N 0 0 388.269 3.146 40 0 GGABRN CSc1cccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1 ZINC000028666236 564363420 /nfs/dbraw/zinc/36/34/20/564363420.db2.gz IBMRONZHQHBQRR-UHFFFAOYSA-N 0 0 384.910 3.467 40 0 GGABRN COc1ccc(Cl)cc1C(=O)Cn1nc(N)n(Nc2cccs2)c1=S ZINC000028535034 564363744 /nfs/dbraw/zinc/36/37/44/564363744.db2.gz XVVNVLVFUCNKTR-UHFFFAOYSA-N 0 0 395.897 3.478 40 0 GGABRN CCCC[C@H](CC)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000029431274 564369664 /nfs/dbraw/zinc/36/96/64/564369664.db2.gz PVGMBWZWUSWERL-HOTGVXAUSA-N 0 0 386.583 3.481 40 0 GGABRN CCCC[C@@H](CC)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000029431273 564370266 /nfs/dbraw/zinc/37/02/66/564370266.db2.gz PVGMBWZWUSWERL-CVEARBPZSA-N 0 0 386.583 3.481 40 0 GGABRN CCOc1ccccc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl ZINC000030858932 564385181 /nfs/dbraw/zinc/38/51/81/564385181.db2.gz XCHBXDMJENQIDF-UHFFFAOYSA-N 0 0 382.869 3.040 40 0 GGABRN COc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 ZINC000030873637 564385473 /nfs/dbraw/zinc/38/54/73/564385473.db2.gz VSUHXRFAMONESM-NSHDSACASA-N 0 0 382.869 3.211 40 0 GGABRN COC(=O)C[C@H](NC(=O)Cc1cn2ccsc2n1)c1ccccc1Cl ZINC000031376701 564389036 /nfs/dbraw/zinc/38/90/36/564389036.db2.gz BBFJCXPUOBTCEN-AWEZNQCLSA-N 0 0 377.853 3.012 40 0 GGABRN O=C(COc1ccccc1I)N1CCc2sccc2C1 ZINC000031657567 564390935 /nfs/dbraw/zinc/39/09/35/564390935.db2.gz JMROMXIBIAWAFV-UHFFFAOYSA-N 0 0 399.253 3.316 40 0 GGABRN O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1cccc(Cl)c1 ZINC000032114901 564396495 /nfs/dbraw/zinc/39/64/95/564396495.db2.gz LIDLWOBBAFKJGI-UHFFFAOYSA-N 0 0 375.881 3.303 40 0 GGABRN O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccccc1Cl ZINC000032114849 564397028 /nfs/dbraw/zinc/39/70/28/564397028.db2.gz KYDXALZXMOYDGX-UHFFFAOYSA-N 0 0 375.881 3.303 40 0 GGABRN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCSc3ccccc32)c1 ZINC000032338179 564397594 /nfs/dbraw/zinc/39/75/94/564397594.db2.gz TYEIYDLKAUTVKJ-OAHLLOKOSA-N 0 0 396.921 3.215 40 0 GGABRN C[C@H](CNC(=O)/C=C/c1cccc(Br)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000032430028 564399486 /nfs/dbraw/zinc/39/94/86/564399486.db2.gz SZAZNLLFHXIZJT-JLDNBTGWSA-N 0 0 381.314 3.076 40 0 GGABRN CC(C)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000032439681 564400440 /nfs/dbraw/zinc/40/04/40/564400440.db2.gz VKQMESPYXZOKMO-GFCCVEGCSA-N 0 0 393.336 3.166 40 0 GGABRN COC(=O)c1ccc2c(=O)[nH]c(CN(C)Cc3ccc(Cl)s3)nc2c1 ZINC000032512864 564401141 /nfs/dbraw/zinc/40/11/41/564401141.db2.gz ORNKZEGVCLAHQM-UHFFFAOYSA-N 0 0 377.853 3.057 40 0 GGABRN CC(=O)NCc1ccc(S(=O)(=O)Oc2cccc3ccc(C)nc32)s1 ZINC000032550311 564402380 /nfs/dbraw/zinc/40/23/80/564402380.db2.gz NGJVCLKUOOJZEW-UHFFFAOYSA-N 0 0 376.459 3.009 40 0 GGABRN O=S1(=O)C[C@@H]2N=C(SCc3ccccc3F)N(c3ccccc3)[C@@H]2C1 ZINC000032641124 564403621 /nfs/dbraw/zinc/40/36/21/564403621.db2.gz RDVLFQSBASTMGH-DLBZAZTESA-N 0 0 376.478 3.101 40 0 GGABRN O=C(Nc1ccc(I)cc1)c1cnc2ccccc2c1O ZINC000032649260 564404307 /nfs/dbraw/zinc/40/43/07/564404307.db2.gz MLAAMQRJZLNBOG-UHFFFAOYSA-N 0 0 390.180 3.385 40 0 GGABRN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(Cl)s1 ZINC000033000644 564408544 /nfs/dbraw/zinc/40/85/44/564408544.db2.gz ZTYAHFAYACGHHH-UHFFFAOYSA-N 0 0 380.853 3.274 40 0 GGABRN C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(Cl)ccc1N1CCCC1)CS2 ZINC000032970846 564408565 /nfs/dbraw/zinc/40/85/65/564408565.db2.gz YATSGFGXJSTBFG-QAPCUYQASA-N 0 0 379.913 3.333 40 0 GGABRN O=C(CN1C(=O)C(=O)c2cc(Br)ccc21)Nc1ccccc1Cl ZINC000033453133 564413039 /nfs/dbraw/zinc/41/30/39/564413039.db2.gz NVWAMNXPZJIEPI-UHFFFAOYSA-N 0 0 393.624 3.271 40 0 GGABRN C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000033714529 564413706 /nfs/dbraw/zinc/41/37/06/564413706.db2.gz DYCGYEIDCXZSLO-VIFPVBQESA-N 0 0 391.251 3.438 40 0 GGABRN C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000033714530 564414179 /nfs/dbraw/zinc/41/41/79/564414179.db2.gz DYCGYEIDCXZSLO-SECBINFHSA-N 0 0 391.251 3.438 40 0 GGABRN CC[C@@H](C)C(=O)Nc1nnc(SCC(=O)Nc2cccc(OC)c2)s1 ZINC000035312270 564415088 /nfs/dbraw/zinc/41/50/88/564415088.db2.gz XJDSIDRPSHIVFB-SNVBAGLBSA-N 0 0 380.495 3.262 40 0 GGABRN O=C(CN1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1)Nc1nccs1 ZINC000035291785 564415255 /nfs/dbraw/zinc/41/52/55/564415255.db2.gz VMHVBNZKZISNLX-UHFFFAOYSA-N 0 0 375.885 3.491 40 0 GGABRN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000036661796 564418551 /nfs/dbraw/zinc/41/85/51/564418551.db2.gz XGCQGKYWAHTICO-UHFFFAOYSA-N 0 0 380.853 3.042 40 0 GGABRN CN(C)C(=O)COc1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000036744009 564418658 /nfs/dbraw/zinc/41/86/58/564418658.db2.gz FSDLUINYKRGGBG-UHFFFAOYSA-N 0 0 377.238 3.168 40 0 GGABRN O=C1C[C@H](c2ccc(OCc3ccc(Br)cc3)cc2)N2N=CNC2=N1 ZINC000038182861 564422611 /nfs/dbraw/zinc/42/26/11/564422611.db2.gz JKDVIQASXPCWMI-MRXNPFEDSA-N 0 0 399.248 3.204 40 0 GGABRN CC[C@H](NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1 ZINC000038752487 564423736 /nfs/dbraw/zinc/42/37/36/564423736.db2.gz OMXUUKFXSCKMBF-KRWDZBQOSA-N 0 0 380.897 3.374 40 0 GGABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000038755098 564424160 /nfs/dbraw/zinc/42/41/60/564424160.db2.gz LNNZAOKBAKDACS-CQSZACIVSA-N 0 0 380.897 3.292 40 0 GGABRN CCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000039985244 564424784 /nfs/dbraw/zinc/42/47/84/564424784.db2.gz PAPUSUSBLBEKLX-UHFFFAOYSA-N 0 0 393.336 3.453 40 0 GGABRN C[C@@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000040073677 564425073 /nfs/dbraw/zinc/42/50/73/564425073.db2.gz ZKJOTYHMOJUVIA-KOLCDFICSA-N 0 0 393.203 3.037 40 0 GGABRN CN1CCN([C@@H](CNC(=O)CCCc2cccs2)c2cccs2)CC1 ZINC000040039573 564425306 /nfs/dbraw/zinc/42/53/06/564425306.db2.gz NFWZWFORJMGFPH-KRWDZBQOSA-N 0 0 377.579 3.237 40 0 GGABRN CCOc1cc2c(cc1CNC(=O)Cc1sc(=S)[nH]c1C)O[C@@H](C)C2 ZINC000040017221 564425437 /nfs/dbraw/zinc/42/54/37/564425437.db2.gz FZZPSWPLXITAQQ-JTQLQIEISA-N 0 0 378.519 3.321 40 0 GGABRN CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000040090747 564425942 /nfs/dbraw/zinc/42/59/42/564425942.db2.gz HEGHDMOPIXRYMX-CQSZACIVSA-N 0 0 399.925 3.216 40 0 GGABRN COC(=O)COc1ccc(C(=O)Oc2ccc(Br)cc2)cc1OC ZINC000040140129 564426207 /nfs/dbraw/zinc/42/62/07/564426207.db2.gz QUIOUNXKNHQVRI-UHFFFAOYSA-N 0 0 395.205 3.229 40 0 GGABRN O=C(c1ccc(Br)cc1)N1c2ccccc2C(=O)N2CCC[C@@H]2C1=O ZINC000040386106 564427454 /nfs/dbraw/zinc/42/74/54/564427454.db2.gz GDTJFSXZJPJYOP-MRXNPFEDSA-N 0 0 399.244 3.241 40 0 GGABRN C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c3ccccc32)C[C@H](C)O1 ZINC000041096980 564429178 /nfs/dbraw/zinc/42/91/78/564429178.db2.gz RUKFXZSQRYKHTI-TXEJJXNPSA-N 0 0 384.295 3.400 40 0 GGABRN Cc1ccc(-c2noc(CNS(=O)(=O)Cc3ccccc3Cl)n2)cc1 ZINC000041153080 564430210 /nfs/dbraw/zinc/43/02/10/564430210.db2.gz OHMXWDHWJXVRGJ-UHFFFAOYSA-N 0 0 377.853 3.318 40 0 GGABRN O=S(=O)(Cc1ccc(F)cc1)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000041154207 564430389 /nfs/dbraw/zinc/43/03/89/564430389.db2.gz APIASFNCNNCAKH-UHFFFAOYSA-N 0 0 381.816 3.149 40 0 GGABRN COc1ccccc1CNC(=O)C(=O)Nc1ccc(C)cc1Br ZINC000042646403 564448516 /nfs/dbraw/zinc/44/85/16/564448516.db2.gz BJSWDIFHHPWDJX-UHFFFAOYSA-N 0 0 377.238 3.021 40 0 GGABRN C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cc1F)c1ccccc1 ZINC000042645886 564448530 /nfs/dbraw/zinc/44/85/30/564448530.db2.gz JZODSKQYJYEYAL-NSHDSACASA-N 0 0 379.229 3.447 40 0 GGABRN CC[C@H](NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000044849063 564473923 /nfs/dbraw/zinc/47/39/23/564473923.db2.gz PIQWHOJHHSOCKH-INIZCTEOSA-N 0 0 380.897 3.374 40 0 GGABRN CC[C@@H](NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000044849067 564474175 /nfs/dbraw/zinc/47/41/75/564474175.db2.gz PIQWHOJHHSOCKH-MRXNPFEDSA-N 0 0 380.897 3.374 40 0 GGABRN Cc1cccc(CCCNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1 ZINC000044843124 564474339 /nfs/dbraw/zinc/47/43/39/564474339.db2.gz SGSQWLFWCGPJCK-UHFFFAOYSA-N 0 0 380.897 3.383 40 0 GGABRN CCSc1ccccc1NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000044901042 564474967 /nfs/dbraw/zinc/47/49/67/564474967.db2.gz ODKUNDVFOYJHFQ-UHFFFAOYSA-N 0 0 382.482 3.342 40 0 GGABRN C[C@H](CCc1ccccc1)NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl ZINC000044885293 564475010 /nfs/dbraw/zinc/47/50/10/564475010.db2.gz YNJJQNSELAKDOO-CYBMUJFWSA-N 0 0 380.897 3.463 40 0 GGABRN COc1ccc(CNC(=O)COc2ccc(Br)c(C)c2)cc1OC ZINC000044886369 564475516 /nfs/dbraw/zinc/47/55/16/564475516.db2.gz VAOKODURAHWCSA-UHFFFAOYSA-N 0 0 394.265 3.470 40 0 GGABRN C[C@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000045139654 564477746 /nfs/dbraw/zinc/47/77/46/564477746.db2.gz KRLWOMDPAATAQA-STQMWFEESA-N 0 0 381.881 3.388 40 0 GGABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000045365420 564483054 /nfs/dbraw/zinc/48/30/54/564483054.db2.gz WJXRNBOVSIEWLS-CQSZACIVSA-N 0 0 380.897 3.292 40 0 GGABRN CN(c1ccc2sc(C(N)=O)cc2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000046058741 564493529 /nfs/dbraw/zinc/49/35/29/564493529.db2.gz LUFARGVJURMMKD-UHFFFAOYSA-N 0 0 380.878 3.479 40 0 GGABRN CC(=O)N(C)CC(=O)N(C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000046161703 564497270 /nfs/dbraw/zinc/49/72/70/564497270.db2.gz NIIWMVRQKKRLOU-UHFFFAOYSA-N 0 0 379.254 3.146 40 0 GGABRN O=S(=O)(NC[C@H](c1ccco1)N1CCCC1)c1cccc(Br)c1 ZINC000047031931 564512000 /nfs/dbraw/zinc/51/20/00/564512000.db2.gz CJNYGBMKZDYGHA-OAHLLOKOSA-N 0 0 399.310 3.158 40 0 GGABRN COC(=O)CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000048331780 564536225 /nfs/dbraw/zinc/53/62/25/564536225.db2.gz GJTBJEWQTICMOG-UHFFFAOYSA-N 0 0 383.853 3.391 40 0 GGABRN COc1cccc([C@@H](CNS(=O)(=O)c2ccc(C)cc2Cl)N(C)C)c1 ZINC000048312986 564536246 /nfs/dbraw/zinc/53/62/46/564536246.db2.gz DSLWZMYKMXULBM-QGZVFWFLSA-N 0 0 382.913 3.238 40 0 GGABRN COC(=O)CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000048332699 564536653 /nfs/dbraw/zinc/53/66/53/564536653.db2.gz NGYGGJPCJQTGRD-UHFFFAOYSA-N 0 0 383.853 3.391 40 0 GGABRN Cc1ccccc1[C@H]1CCCN1C(=O)CCNS(=O)(=O)c1cccs1 ZINC000048367564 564537139 /nfs/dbraw/zinc/53/71/39/564537139.db2.gz KWSPNXLGDSMUSO-MRXNPFEDSA-N 0 0 378.519 3.089 40 0 GGABRN CCS(=O)(=O)Nc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 ZINC000048366386 564537354 /nfs/dbraw/zinc/53/73/54/564537354.db2.gz GAFPKJHWRMWLNE-UHFFFAOYSA-N 0 0 397.294 3.392 40 0 GGABRN CN(CC(=O)NCCc1ccc(F)cc1)C(=O)c1ccc(Br)s1 ZINC000048345790 564537393 /nfs/dbraw/zinc/53/73/93/564537393.db2.gz FDEUOKLHCLYWTM-UHFFFAOYSA-N 0 0 399.285 3.081 40 0 GGABRN O=C(CN(C[C@@H]1CCCO1)C[C@@H]1CCCO1)Nc1ccccc1Br ZINC000048375390 564538416 /nfs/dbraw/zinc/53/84/16/564538416.db2.gz WYGJIACOSWHHLB-GJZGRUSLSA-N 0 0 397.313 3.048 40 0 GGABRN Cc1cc(I)ccc1NC(=O)CNC(=O)OC(C)(C)C ZINC000049375693 564551466 /nfs/dbraw/zinc/55/14/66/564551466.db2.gz VMHBIVGOIUPMRC-UHFFFAOYSA-N 0 0 390.221 3.063 40 0 GGABRN O=C(NCc1ccc(Br)cc1)c1csc(C(=O)N2CCCC2)n1 ZINC000049408691 564551124 /nfs/dbraw/zinc/55/11/24/564551124.db2.gz ALXHEXLXWWZNEJ-UHFFFAOYSA-N 0 0 394.294 3.072 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40 0 GGABRN O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)Nc1cccc(F)c1 ZINC000060296817 564696844 /nfs/dbraw/zinc/69/68/44/564696844.db2.gz MMVPJDLQQWIYCX-UHFFFAOYSA-N 0 0 377.224 3.050 40 0 GGABRN O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1)NCCO ZINC000062715202 564713297 /nfs/dbraw/zinc/71/32/97/564713297.db2.gz XDWQUWUFCSJUMU-RMKNXTFCSA-N 0 0 376.250 3.150 40 0 GGABRN CC(=O)Nc1nc2c(s1)CN(CC(=O)Nc1ccc(C)c(Cl)c1)CC2 ZINC000070638369 564849618 /nfs/dbraw/zinc/84/96/18/564849618.db2.gz PWKIATKOWLIHER-UHFFFAOYSA-N 0 0 378.885 3.060 40 0 GGABRN COc1ccccc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000138044066 564864904 /nfs/dbraw/zinc/86/49/04/564864904.db2.gz OIANKKFGLFDACH-UHFFFAOYSA-N 0 0 382.869 3.062 40 0 GGABRN COC(=O)c1ccc2[nH]c(-c3cc(Br)c(O)c(OC)c3)nc2c1 ZINC000085398423 564869428 /nfs/dbraw/zinc/86/94/28/564869428.db2.gz VPPVMEZKKALKSI-UHFFFAOYSA-N 0 0 377.194 3.493 40 0 GGABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(I)cc2)cc1 ZINC000090395555 564870319 /nfs/dbraw/zinc/87/03/19/564870319.db2.gz PGIHXEZGSTVRKU-UHFFFAOYSA-N 0 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Cc1ccccc1N(CCCC(=O)NCCSC(C)(C)C)S(C)(=O)=O ZINC000113967969 565071837 /nfs/dbraw/zinc/07/18/37/565071837.db2.gz VZYOBYICROJTQA-UHFFFAOYSA-N 0 0 386.583 3.189 40 0 GGABRN CSc1cccc(C(=O)N2CC[C@@H](c3cccs3)S(=O)(=O)CC2)c1 ZINC000390831476 565558616 /nfs/dbraw/zinc/55/86/16/565558616.db2.gz SBUXHAHJHWIGPV-INIZCTEOSA-N 0 0 381.544 3.472 40 0 GGABRN COc1cc(CO)cc(Br)c1OCC(=O)Nc1ccccc1F ZINC000319598882 565599894 /nfs/dbraw/zinc/59/98/94/565599894.db2.gz WOFMRTQJWJDQTJ-UHFFFAOYSA-N 0 0 384.201 3.107 40 0 GGABRN Cn1c2ccc(NC(=O)CSCc3ccccc3Cl)cc2n(C)c1=O ZINC000408573912 565614565 /nfs/dbraw/zinc/61/45/65/565614565.db2.gz FGGGQWBLYLJQFP-UHFFFAOYSA-N 0 0 375.881 3.402 40 0 GGABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)NNc1ccccc1 ZINC000408627141 565614856 /nfs/dbraw/zinc/61/48/56/565614856.db2.gz KRRGRBMIRCSKJZ-UHFFFAOYSA-N 0 0 394.294 3.398 40 0 GGABRN CCCCCNC(=O)COc1ccc(S(=O)(=O)NCCCC)cc1Cl ZINC000408627286 565614860 /nfs/dbraw/zinc/61/48/60/565614860.db2.gz ZDWYDKWPCYZAFO-UHFFFAOYSA-N 0 0 390.933 3.104 40 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AOAAPPWODXTJNS-HOCLYGCPSA-N 0 0 379.890 3.258 40 0 GGABRN O=C(c1ccc(Cl)cc1)N1c2ccccc2S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000217372945 565897388 /nfs/dbraw/zinc/89/73/88/565897388.db2.gz AOAAPPWODXTJNS-ZBFHGGJFSA-N 0 0 379.890 3.258 40 0 GGABRN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Br)cc3)[C@H]2CO)cc1 ZINC000218231004 565898403 /nfs/dbraw/zinc/89/84/03/565898403.db2.gz XIRIUEDTMLMQSU-IXDOHACOSA-N 0 0 381.291 3.306 40 0 GGABRN COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@H]2C(N)=S)cc1 ZINC000218126860 565898422 /nfs/dbraw/zinc/89/84/22/565898422.db2.gz KKUPSYPUKNBBPO-OWCLPIDISA-N 0 0 381.906 3.191 40 0 GGABRN COc1ccc([C@H]2[C@@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000218127083 565898642 /nfs/dbraw/zinc/89/86/42/565898642.db2.gz KKUPSYPUKNBBPO-ARFHVFGLSA-N 0 0 381.906 3.191 40 0 GGABRN COC[C@]1(C(N)=S)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218532786 565899356 /nfs/dbraw/zinc/89/93/56/565899356.db2.gz ATUYNZLIYOSOKZ-RYRKJORJSA-N 0 0 395.933 3.199 40 0 GGABRN CCOC[C@@]1(N)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218554737 565899432 /nfs/dbraw/zinc/89/94/32/565899432.db2.gz BJWBHRQGHBRVSJ-GBESFXJTSA-N 0 0 379.909 3.322 40 0 GGABRN CSc1cccc(N(CC(=O)NCc2ccccc2Cl)S(C)(=O)=O)c1 ZINC000220066704 565903194 /nfs/dbraw/zinc/90/31/94/565903194.db2.gz GNKUQBMMRJXBQK-UHFFFAOYSA-N 0 0 398.937 3.144 40 0 GGABRN CSc1cccc(N(CC(=O)NC2CCCCCCC2)S(C)(=O)=O)c1 ZINC000220069121 565903367 /nfs/dbraw/zinc/90/33/67/565903367.db2.gz YEJOTTBLPDVOQN-UHFFFAOYSA-N 0 0 384.567 3.404 40 0 GGABRN C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1cccc(F)c1)S(C)(=O)=O ZINC000220473551 565903506 /nfs/dbraw/zinc/90/35/06/565903506.db2.gz HDMWCNRTMONMTD-JTQLQIEISA-N 0 0 388.823 3.411 40 0 GGABRN Cc1cccc(N([C@H](C)C(=O)NCc2ccccc2Cl)S(C)(=O)=O)c1 ZINC000220132966 565903777 /nfs/dbraw/zinc/90/37/77/565903777.db2.gz TUHURXBNQQMMQF-CQSZACIVSA-N 0 0 380.897 3.119 40 0 GGABRN CSc1cccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000220059315 565903792 /nfs/dbraw/zinc/90/37/92/565903792.db2.gz QGRQXEIPJIRKDF-UHFFFAOYSA-N 0 0 378.519 3.430 40 0 GGABRN Cc1c(Cl)cccc1NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O ZINC000220083159 565903844 /nfs/dbraw/zinc/90/38/44/565903844.db2.gz NSTWOUITUTWFEM-UHFFFAOYSA-N 0 0 388.823 3.331 40 0 GGABRN CN(c1ccc(Cl)c(C(=O)NCCSc2ccccc2)c1)S(C)(=O)=O ZINC000222491018 565904280 /nfs/dbraw/zinc/90/42/80/565904280.db2.gz VRJCZPADKRDOEF-UHFFFAOYSA-N 0 0 398.937 3.258 40 0 GGABRN CN(c1ccc(Cl)c(C(=O)NCc2ccc(Cl)cc2)c1)S(C)(=O)=O ZINC000222491744 565904449 /nfs/dbraw/zinc/90/44/49/565904449.db2.gz QONJKSVVZQKYOZ-UHFFFAOYSA-N 0 0 387.288 3.319 40 0 GGABRN CC(=O)c1cccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1 ZINC000222496667 565904865 /nfs/dbraw/zinc/90/48/65/565904865.db2.gz UKFKZBAEMJBULE-UHFFFAOYSA-N 0 0 380.853 3.191 40 0 GGABRN COc1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)cc1Cl ZINC000222430654 565904888 /nfs/dbraw/zinc/90/48/88/565904888.db2.gz FWAZXFHKPKJZPM-UHFFFAOYSA-N 0 0 382.869 3.305 40 0 GGABRN 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/nfs/dbraw/zinc/31/51/71/570315171.db2.gz BVNBCGMBBXBMHH-UHFFFAOYSA-N 0 0 376.478 3.025 40 0 GGABRN CCOc1cccc(N(CC(=O)Nc2ccc(CC)cc2)S(C)(=O)=O)c1 ZINC000022383422 570315349 /nfs/dbraw/zinc/31/53/49/570315349.db2.gz DJMJDPWSXUXUKW-UHFFFAOYSA-N 0 0 376.478 3.052 40 0 GGABRN COc1ccc(C)cc1NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O ZINC000022386909 570315616 /nfs/dbraw/zinc/31/56/16/570315616.db2.gz XSAPSGFSQVXCRV-UHFFFAOYSA-N 0 0 390.505 3.334 40 0 GGABRN O=S(=O)(c1cc(F)cc(F)c1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000022475503 570318308 /nfs/dbraw/zinc/31/83/08/570318308.db2.gz XQWBPBPKGAUCLL-UHFFFAOYSA-N 0 0 377.416 3.409 40 0 GGABRN COc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3C)cc2)cc1Cl ZINC000022508825 570318572 /nfs/dbraw/zinc/31/85/72/570318572.db2.gz LMHGIXLEXHDTOR-UHFFFAOYSA-N 0 0 391.880 3.321 40 0 GGABRN Cc1ccc(CN(C)C(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000022511833 570318920 /nfs/dbraw/zinc/31/89/20/570318920.db2.gz HGGAOWTXUKEJQR-GOSISDBHSA-N 0 0 388.533 3.425 40 0 GGABRN COc1ccc(CN2C(=O)[C@H](N)[C@H]2c2ccc(C(F)(F)F)cc2)cc1OC ZINC000072227102 570319077 /nfs/dbraw/zinc/31/90/77/570319077.db2.gz NFTSSTMAWUCGBG-IAGOWNOFSA-N 0 0 380.366 3.133 40 0 GGABRN CC(C)(C)OC(=O)NCc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072225562 570319387 /nfs/dbraw/zinc/31/93/87/570319387.db2.gz LUQYTKBEXIXWCX-UHFFFAOYSA-N 0 0 392.500 3.163 40 0 GGABRN CC(C)C[C@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccccc1 ZINC000022515325 570319416 /nfs/dbraw/zinc/31/94/16/570319416.db2.gz KLINGIUDKGBHFR-SFHVURJKSA-N 0 0 392.496 3.495 40 0 GGABRN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000022517988 570319487 /nfs/dbraw/zinc/31/94/87/570319487.db2.gz YXELWBMCVDGHGL-MRXNPFEDSA-N 0 0 384.501 3.204 40 0 GGABRN CCOc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c1 ZINC000022519684 570319648 /nfs/dbraw/zinc/31/96/48/570319648.db2.gz RJARESCBVQTHQI-UHFFFAOYSA-N 0 0 388.489 3.263 40 0 GGABRN Cc1cc(C)cc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000022527799 570320423 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C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(F)cc1 ZINC000022539976 570321514 /nfs/dbraw/zinc/32/15/14/570321514.db2.gz PSYBFJRLONSWNO-WBVHZDCISA-N 0 0 390.480 3.104 40 0 GGABRN COc1ccc(-n2ccc3nc4ncnn4c(-c4ccccc4)c3c2=O)c(OC)c1 ZINC000022607904 570322868 /nfs/dbraw/zinc/32/28/68/570322868.db2.gz NPTOGCCLQQUWGF-UHFFFAOYSA-N 0 0 399.410 3.113 40 0 GGABRN COc1cccc(-n2ccc3nc(N4CCc5ccccc5C4)ncc3c2=O)c1 ZINC000022608889 570322917 /nfs/dbraw/zinc/32/29/17/570322917.db2.gz GOBUOECCMZCFAZ-UHFFFAOYSA-N 0 0 384.439 3.352 40 0 GGABRN CC1CCN(c2nc3ncc4c(c3c(=O)[nH]2)C[C@@H](c2ccccc2)CC4=O)CC1 ZINC000022606987 570322927 /nfs/dbraw/zinc/32/29/27/570322927.db2.gz LQBXVAURDIPRNP-MRXNPFEDSA-N 0 0 388.471 3.467 40 0 GGABRN CC1CCN(c2nc3ncc4c(c3c(=O)[nH]2)C[C@H](c2ccccc2)CC4=O)CC1 ZINC000022606985 570322938 /nfs/dbraw/zinc/32/29/38/570322938.db2.gz LQBXVAURDIPRNP-INIZCTEOSA-N 0 0 388.471 3.467 40 0 GGABRN COc1ccc(-c2c(C)nn3c2nnc2c3ccn(-c3ccccc3)c2=O)cc1 ZINC000022610729 570323265 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COC(=O)[C@](O)(c1ccc(N(C)C(=O)c2ccc(C)cc2)cc1)C(F)(F)F ZINC000003082334 570327939 /nfs/dbraw/zinc/32/79/39/570327939.db2.gz DORRWIPLUVGGHX-GOSISDBHSA-N 0 0 381.350 3.195 40 0 GGABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1nc(C2CCOCC2)no1 ZINC000575605154 570328821 /nfs/dbraw/zinc/32/88/21/570328821.db2.gz AFFURKNOQCMTPC-UHFFFAOYSA-N 0 0 379.844 3.091 40 0 GGABRN O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc(C3CC3)nn2)CC1 ZINC000575605826 570329058 /nfs/dbraw/zinc/32/90/58/570329058.db2.gz ANJIZHAETPHIRX-UHFFFAOYSA-N 0 0 376.382 3.335 40 0 GGABRN Cc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022275019 570330127 /nfs/dbraw/zinc/33/01/27/570330127.db2.gz AVYCFQSPYIPIGZ-UHFFFAOYSA-N 0 0 392.908 3.466 40 0 GGABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 ZINC000022277120 570330342 /nfs/dbraw/zinc/33/03/42/570330342.db2.gz FFEABBWRHOOEHT-UHFFFAOYSA-N 0 0 378.469 3.244 40 0 GGABRN COc1ccc(CNC(=O)N2CC[C@@H](Oc3ccncc3Cl)C2)cc1OC ZINC000575607689 570330812 /nfs/dbraw/zinc/33/08/12/570330812.db2.gz 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570335427 /nfs/dbraw/zinc/33/54/27/570335427.db2.gz WQKHZHFMCMCUBH-UHFFFAOYSA-N 0 0 376.478 3.084 40 0 GGABRN CC[C@@H](C(=O)NCc1cccc(C)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000113949773 570335630 /nfs/dbraw/zinc/33/56/30/570335630.db2.gz WGVOUKFCIOOMFN-FQEVSTJZSA-N 0 0 388.533 3.473 40 0 GGABRN CS(=O)(=O)N(CCCC(=O)NCc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000113955443 570335730 /nfs/dbraw/zinc/33/57/30/570335730.db2.gz VDZVFUFEQDSRBA-UHFFFAOYSA-N 0 0 398.887 3.342 40 0 GGABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1C ZINC000113953800 570335754 /nfs/dbraw/zinc/33/57/54/570335754.db2.gz KLBGDEIZOJKDLK-KRWDZBQOSA-N 0 0 382.460 3.182 40 0 GGABRN CCOc1cccc(NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 ZINC000113956733 570336009 /nfs/dbraw/zinc/33/60/09/570336009.db2.gz GPZPOKYBQKSHIU-ZDUSSCGKSA-N 0 0 380.441 3.018 40 0 GGABRN C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1ccccc1F)S(C)(=O)=O ZINC000113957162 570336015 /nfs/dbraw/zinc/33/60/15/570336015.db2.gz ZYRDHTZCQLTDSR-KSSFIOAISA-N 0 0 390.480 3.174 40 0 GGABRN Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c(C)c1 ZINC000113957341 570336044 /nfs/dbraw/zinc/33/60/44/570336044.db2.gz LGBVJOXEYCVXRP-HOTGVXAUSA-N 0 0 392.496 3.474 40 0 GGABRN CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccccc1 ZINC000113956903 570336099 /nfs/dbraw/zinc/33/60/99/570336099.db2.gz QIZLBKMBKPTFNE-FZKQIMNGSA-N 0 0 396.459 3.387 40 0 GGABRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c(C)c1 ZINC000113957339 570336121 /nfs/dbraw/zinc/33/61/21/570336121.db2.gz LGBVJOXEYCVXRP-CVEARBPZSA-N 0 0 392.496 3.474 40 0 GGABRN CCOc1cccc(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 ZINC000113957876 570336449 /nfs/dbraw/zinc/33/64/49/570336449.db2.gz WRJZKAWSMRLAQV-LBPRGKRZSA-N 0 0 398.431 3.157 40 0 GGABRN COc1ccc(N(CCCC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000113961322 570336734 /nfs/dbraw/zinc/33/67/34/570336734.db2.gz MDMMRJPRNVFMSP-UHFFFAOYSA-N 0 0 380.441 3.019 40 0 GGABRN COc1ccc(N(CCCC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)cc1 ZINC000113961192 570336738 /nfs/dbraw/zinc/33/67/38/570336738.db2.gz RGGOKNXGTPMOJG-UHFFFAOYSA-N 0 0 384.542 3.038 40 0 GGABRN COc1ccc(N(CCCC(=O)Nc2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000113961688 570336744 /nfs/dbraw/zinc/33/67/44/570336744.db2.gz UIXMOWJFJOYAEQ-UHFFFAOYSA-N 0 0 376.478 3.189 40 0 GGABRN COc1ccc(N(CCCC(=O)Nc2cccc(F)c2)S(C)(=O)=O)cc1 ZINC000113961697 570336791 /nfs/dbraw/zinc/33/67/91/570336791.db2.gz XPJJUNJUGIUOSQ-UHFFFAOYSA-N 0 0 380.441 3.019 40 0 GGABRN Cc1cccc(N(CCCC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)c1C ZINC000113961415 570336853 /nfs/dbraw/zinc/33/68/53/570336853.db2.gz FEAICACJOMFPAI-UHFFFAOYSA-N 0 0 392.496 3.305 40 0 GGABRN COc1ccc(N(CCCC(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)cc1 ZINC000113962258 570337071 /nfs/dbraw/zinc/33/70/71/570337071.db2.gz OUWOMHXFEBYXRD-UHFFFAOYSA-N 0 0 398.431 3.158 40 0 GGABRN CCc1ccc(N(CCCC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000113962807 570337178 /nfs/dbraw/zinc/33/71/78/570337178.db2.gz CWMNLNRNYIEXJM-UHFFFAOYSA-N 0 0 392.496 3.251 40 0 GGABRN 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570484312 /nfs/dbraw/zinc/48/43/12/570484312.db2.gz XREPASUBXNAXHO-UHFFFAOYSA-N 0 0 387.461 3.095 40 0 GGABRN CCCn1nnc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n1 ZINC000006593894 570484403 /nfs/dbraw/zinc/48/44/03/570484403.db2.gz SODXTDCUQCUNET-UHFFFAOYSA-N 0 0 390.856 3.123 40 0 GGABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000223802258 570485232 /nfs/dbraw/zinc/48/52/32/570485232.db2.gz IXELUBWTNMIEBR-AWEZNQCLSA-N 0 0 392.858 3.411 40 0 GGABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C)c(C)c1 ZINC000223800106 570485371 /nfs/dbraw/zinc/48/53/71/570485371.db2.gz JVRWDEKLHOXJLE-KRWDZBQOSA-N 0 0 386.467 3.375 40 0 GGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1cc(C)ccc1C ZINC000223822342 570485688 /nfs/dbraw/zinc/48/56/88/570485688.db2.gz UIPDOLGMQPXPJR-QGZVFWFLSA-N 0 0 386.467 3.375 40 0 GGABRN CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)c1 ZINC000223822098 570485792 /nfs/dbraw/zinc/48/57/92/570485792.db2.gz PAHNPVPJXJXURP-UHFFFAOYSA-N 0 0 391.445 3.068 40 0 GGABRN COC(=O)c1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1ccc(C)cc1 ZINC000024273983 570486040 /nfs/dbraw/zinc/48/60/40/570486040.db2.gz QDHSELWPWSNZPF-SFHVURJKSA-N 0 0 395.484 3.213 40 0 GGABRN Cc1ccccc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000000827626 570486052 /nfs/dbraw/zinc/48/60/52/570486052.db2.gz MXGPJEKACKDQAB-UHFFFAOYSA-N 0 0 386.395 3.419 40 0 GGABRN CSc1ccccc1C(=O)OCC(=O)Nc1cc2c(cc1C(C)=O)OCO2 ZINC000006589580 570486094 /nfs/dbraw/zinc/48/60/94/570486094.db2.gz NJDCRJHSUIUGHP-UHFFFAOYSA-N 0 0 387.413 3.135 40 0 GGABRN CCc1ccc(CC)c(CNC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1 ZINC000223833511 570486175 /nfs/dbraw/zinc/48/61/75/570486175.db2.gz CUUQPXAFMMZEJJ-UHFFFAOYSA-N 0 0 392.496 3.033 40 0 GGABRN COC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2C(C)C)ccc1C ZINC000223829988 570486217 /nfs/dbraw/zinc/48/62/17/570486217.db2.gz QYURVVUPSJVFKQ-UHFFFAOYSA-N 0 0 391.489 3.262 40 0 GGABRN Cc1cc(C)c(C)c(OCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000223861606 570487619 /nfs/dbraw/zinc/48/76/19/570487619.db2.gz 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CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc(-c2ccccc2)on1 ZINC000030419371 570488991 /nfs/dbraw/zinc/48/89/91/570488991.db2.gz GUGFLBBUUQKONL-UHFFFAOYSA-N 0 0 379.416 3.451 40 0 GGABRN CCOc1cccc(CN(C)S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)c1 ZINC000223898345 570489125 /nfs/dbraw/zinc/48/91/25/570489125.db2.gz KPZLRPCEHNQOFL-UHFFFAOYSA-N 0 0 397.880 3.346 40 0 GGABRN COCC(=O)NC[C@H]1CC[C@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)CC1 ZINC000257366920 570489202 /nfs/dbraw/zinc/48/92/02/570489202.db2.gz LZDLHTRCCFOKDA-QAQDUYKDSA-N 0 0 397.519 3.409 40 0 GGABRN COCc1cccc(NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 ZINC000223895300 570489271 /nfs/dbraw/zinc/48/92/71/570489271.db2.gz NQGHJHCQUVPYLH-INIZCTEOSA-N 0 0 390.505 3.243 40 0 GGABRN COCc1cccc(NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000223892523 570489375 /nfs/dbraw/zinc/48/93/75/570489375.db2.gz YOUNZHBUKLJSDT-MRXNPFEDSA-N 0 0 390.505 3.243 40 0 GGABRN O=C(Nc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223918349 570490186 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CCOCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223975688 570492239 /nfs/dbraw/zinc/49/22/39/570492239.db2.gz KIVMAVBUPCLHBI-UHFFFAOYSA-N 0 0 396.896 3.297 40 0 GGABRN COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCOc2cccc(C)c2C)c1 ZINC000223964869 570492311 /nfs/dbraw/zinc/49/23/11/570492311.db2.gz AIHSRQLTMOSKAL-UHFFFAOYSA-N 0 0 397.880 3.101 40 0 GGABRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCc1ccc(Cl)cc1 ZINC000139159825 570492825 /nfs/dbraw/zinc/49/28/25/570492825.db2.gz WSTXJJJSPJSOSL-UHFFFAOYSA-N 0 0 392.908 3.112 40 0 GGABRN CCOC(=O)c1c2c(sc1NC(=O)Cn1nnc3ccccc31)C[C@H](C)CC2 ZINC000000845374 570492956 /nfs/dbraw/zinc/49/29/56/570492956.db2.gz VWAWENPXTCZUDH-GFCCVEGCSA-N 0 0 398.488 3.433 40 0 GGABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000223992481 570493177 /nfs/dbraw/zinc/49/31/77/570493177.db2.gz MJAAOJJVQOZYQM-HNNXBMFYSA-N 0 0 388.895 3.445 40 0 GGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1 ZINC000223992543 570493252 /nfs/dbraw/zinc/49/32/52/570493252.db2.gz 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Cn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc2c(c1)OCO2 ZINC000224021762 570494908 /nfs/dbraw/zinc/49/49/08/570494908.db2.gz PYYHBVIVCHZHCI-OALUTQOASA-N 0 0 378.457 3.326 40 0 GGABRN Cn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc2c(c1)OCO2 ZINC000224021665 570494955 /nfs/dbraw/zinc/49/49/55/570494955.db2.gz PYYHBVIVCHZHCI-MOPGFXCFSA-N 0 0 378.457 3.326 40 0 GGABRN CCOc1ccc(CNC(=O)c2cccc(CN3CCOCC3)c2)cc1OCC ZINC000030755484 570495283 /nfs/dbraw/zinc/49/52/83/570495283.db2.gz UWTSHWULPNKIIJ-UHFFFAOYSA-N 0 0 398.503 3.246 40 0 GGABRN CCCC[C@@H](CC)CNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 ZINC000224030060 570495450 /nfs/dbraw/zinc/49/54/50/570495450.db2.gz LZTSWKJMLKZQGS-MRXNPFEDSA-N 0 0 396.553 3.426 40 0 GGABRN CCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC000027398307 570495476 /nfs/dbraw/zinc/49/54/76/570495476.db2.gz RPPAAXZARSZPBK-KRWDZBQOSA-N 0 0 393.487 3.435 40 0 GGABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000224048790 570496226 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/nfs/dbraw/zinc/64/51/83/570645183.db2.gz CQXGPQHGYJBCFN-KRWDZBQOSA-N 0 0 383.452 3.257 40 0 GGABRN COc1ccc(-c2noc(CN(C)C(=O)c3ccc(OC)cc3OC)n2)cc1 ZINC000004943512 570645232 /nfs/dbraw/zinc/64/52/32/570645232.db2.gz DSVCKBIOOSCZQP-UHFFFAOYSA-N 0 0 383.404 3.035 40 0 GGABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc3ccccc3c2)cc1 ZINC000045201137 570646001 /nfs/dbraw/zinc/64/60/01/570646001.db2.gz QBUHTZZOJGROAO-UHFFFAOYSA-N 0 0 382.485 3.085 40 0 GGABRN COc1ccc(OC)c2c1[C@@H]1c3c(c(F)c(F)c(F)c3F)[C@H]2C1(O)C(C)=O ZINC000045071361 570646042 /nfs/dbraw/zinc/64/60/42/570646042.db2.gz IZCSUZPEWQFOQX-FSWDVZBNSA-N 0 0 382.309 3.171 40 0 GGABRN O=C(Nc1ccc2c(c1)OCO2)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000004954007 570646440 /nfs/dbraw/zinc/64/64/40/570646440.db2.gz OBIMAZQRBCXOBG-ATVHPVEESA-N 0 0 376.368 3.418 40 0 GGABRN CSc1ccccc1C(=O)OCC(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000006846126 570646853 /nfs/dbraw/zinc/64/68/53/570646853.db2.gz YNWPIGHQIOTAHM-UHFFFAOYSA-N 0 0 381.453 3.284 40 0 GGABRN C[C@@H](c1ccccc1F)n1cc(C(=O)NCCCc2nc3ccccc3[nH]2)nn1 ZINC000004903203 570646910 /nfs/dbraw/zinc/64/69/10/570646910.db2.gz IQJKJPAMDNARSV-AWEZNQCLSA-N 0 0 392.438 3.265 40 0 GGABRN COc1ccc(CNC(=O)COc2cccc(C(F)(F)F)c2)c(OC)c1OC ZINC000045402468 570646977 /nfs/dbraw/zinc/64/69/77/570646977.db2.gz PTXLGJMWPLNTGO-UHFFFAOYSA-N 0 0 399.365 3.426 40 0 GGABRN Cc1cccc(OCCNC(=O)CS(=O)(=O)Cc2cccc3ccccc32)c1 ZINC000045354539 570647236 /nfs/dbraw/zinc/64/72/36/570647236.db2.gz RPIFMBFNUXIJSI-UHFFFAOYSA-N 0 0 397.496 3.258 40 0 GGABRN COc1ccc(-c2n[nH]c3c2[C@H](c2cc(OC)ccc2OC)N(C)C3=O)cc1 ZINC000004909422 570647821 /nfs/dbraw/zinc/64/78/21/570647821.db2.gz BOECSJZVIUETLI-FQEVSTJZSA-N 0 0 379.416 3.278 40 0 GGABRN COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC)c(OC)c2)N(C)C3=O)cc1 ZINC000004909395 570647848 /nfs/dbraw/zinc/64/78/48/570647848.db2.gz LOSBXZOFYOJONB-FQEVSTJZSA-N 0 0 379.416 3.278 40 0 GGABRN CCOc1ccccc1NC(=O)CN1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000004908913 570647987 /nfs/dbraw/zinc/64/79/87/570647987.db2.gz LMRHWJOFSCICFA-UHFFFAOYSA-N 0 0 396.491 3.310 40 0 GGABRN CCOC(=O)CN1c2ccccc2S/C1=C1/N=C(c2ccccc2)OC1=O ZINC000041155013 570648704 /nfs/dbraw/zinc/64/87/04/570648704.db2.gz JPYNBKIWLQZQPJ-HTXNQAPBSA-N 0 0 380.425 3.335 40 0 GGABRN CCOC(=O)c1ccc(Nc2nc(C)nc3c2nnn3Cc2ccccc2)cc1 ZINC000004922288 570648862 /nfs/dbraw/zinc/64/88/62/570648862.db2.gz NZDMTCWIAGUKNT-UHFFFAOYSA-N 0 0 388.431 3.498 40 0 GGABRN Cc1ccc(S(=O)(=O)Nc2cc(C)cn(Cc3ccc(F)cc3)c2=O)cc1 ZINC000004913729 570648934 /nfs/dbraw/zinc/64/89/34/570648934.db2.gz GNJANBUZCVEFHA-UHFFFAOYSA-N 0 0 386.448 3.453 40 0 GGABRN O=C(CN1CCC(O)(c2ccccc2)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000004924697 570649353 /nfs/dbraw/zinc/64/93/53/570649353.db2.gz WKOCSVIAUIMNEJ-UHFFFAOYSA-N 0 0 379.504 3.209 40 0 GGABRN C[C@H](OC(=O)CSc1ncnc2sccc21)C(=O)Nc1ccc(F)cc1 ZINC000005563562 570649633 /nfs/dbraw/zinc/64/96/33/570649633.db2.gz BQTRDWVSJDUHFS-JTQLQIEISA-N 0 0 391.449 3.493 40 0 GGABRN Cc1cccc(C)c1NC(=O)NCc1nnc(SCc2cccnc2)n1C ZINC000004932573 570649678 /nfs/dbraw/zinc/64/96/78/570649678.db2.gz XDHJJWAWHUWNRV-UHFFFAOYSA-N 0 0 382.493 3.441 40 0 GGABRN Cc1ccc(-c2ccc(C(=O)NCCCNC(=O)c3cnccn3)o2)cc1Cl ZINC000004985461 570650152 /nfs/dbraw/zinc/65/01/52/570650152.db2.gz NZEXGQJVACVHJF-UHFFFAOYSA-N 0 0 398.850 3.248 40 0 GGABRN CCOc1cc(/C=C2/N=C(c3ccccc3C)OC2=O)ccc1OCC(=O)OC ZINC000005000756 570651430 /nfs/dbraw/zinc/65/14/30/570651430.db2.gz SWDFPRRHDZNOIC-GZTJUZNOSA-N 0 0 395.411 3.290 40 0 GGABRN CCOC(=O)COc1ccc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cc1OC ZINC000005000737 570651465 /nfs/dbraw/zinc/65/14/65/570651465.db2.gz ILRMOJZQARWSDP-GZTJUZNOSA-N 0 0 395.411 3.290 40 0 GGABRN CCOc1ccc(CN(C)S(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1 ZINC000046568266 570651777 /nfs/dbraw/zinc/65/17/77/570651777.db2.gz FRCMZTDTMGUTFU-UHFFFAOYSA-N 0 0 377.462 3.001 40 0 GGABRN Cc1ccc(-c2ocnc2C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000005001991 570652230 /nfs/dbraw/zinc/65/22/30/570652230.db2.gz KCHZWXFWBVSGKI-UHFFFAOYSA-N 0 0 381.457 3.310 40 0 GGABRN O=C(CN(C(=O)c1csnn1)c1cccc2c1CCCC2)NC1CCCC1 ZINC000004964811 570653473 /nfs/dbraw/zinc/65/34/73/570653473.db2.gz IPSWKGQPGCYNLS-UHFFFAOYSA-N 0 0 384.505 3.123 40 0 GGABRN CC(C)c1ccc(OCC(=O)NCc2cccc(CN3CCOCC3)c2)cc1 ZINC000047227652 570653625 /nfs/dbraw/zinc/65/36/25/570653625.db2.gz IACJOMGEDRRLFD-UHFFFAOYSA-N 0 0 382.504 3.337 40 0 GGABRN COc1ccc(OCCCC(=O)NCc2cccc(CN3CCOCC3)c2)cc1 ZINC000047276378 570653847 /nfs/dbraw/zinc/65/38/47/570653847.db2.gz GRBVPROLOAORHX-UHFFFAOYSA-N 0 0 398.503 3.003 40 0 GGABRN Cc1ccc(CSCC(=O)NCc2cccc(CN3CCOCC3)c2)cc1 ZINC000047276409 570653853 /nfs/dbraw/zinc/65/38/53/570653853.db2.gz LKGZMPPBMINDMC-UHFFFAOYSA-N 0 0 384.545 3.377 40 0 GGABRN COc1cc(C)c(S(=O)(=O)N(C)Cc2ccc(OC)c(OC)c2)c(C)c1 ZINC000047462107 570654208 /nfs/dbraw/zinc/65/42/08/570654208.db2.gz DOTPTQUDIKMSKB-UHFFFAOYSA-N 0 0 379.478 3.150 40 0 GGABRN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc4c3CCCC4)n2)cc1 ZINC000004968173 570654753 /nfs/dbraw/zinc/65/47/53/570654753.db2.gz DGNDXGSYQZKSDT-UHFFFAOYSA-N 0 0 389.455 3.436 40 0 GGABRN COc1ccc(C2(NC(C)=O)CCN(C(=O)NCc3ccccc3)CC2)cc1 ZINC000004981521 570655883 /nfs/dbraw/zinc/65/58/83/570655883.db2.gz HOWGWYREPNYHRU-UHFFFAOYSA-N 0 0 381.476 3.032 40 0 GGABRN O=C(NC[C@H]1CCCO1)[C@H](OC(=O)C1=Cc2ccccc2OC1)c1ccccc1 ZINC000004982311 570656319 /nfs/dbraw/zinc/65/63/19/570656319.db2.gz SGMSRVVGEKFDFC-TZIWHRDSSA-N 0 0 393.439 3.042 40 0 GGABRN COc1ccc(NC(=O)c2ccccc2F)cc1S(=O)(=O)N1CCCCC1 ZINC000005578729 570658987 /nfs/dbraw/zinc/65/89/87/570658987.db2.gz ISCCHJNXXBWKNY-UHFFFAOYSA-N 0 0 392.452 3.261 40 0 GGABRN Cn1cccc1C(=S)N=P(N1CCOCC1)(N1CCOCC1)C(C)(C)C ZINC000005577877 570659920 /nfs/dbraw/zinc/65/99/20/570659920.db2.gz HNLVIBYUARNSSZ-UHFFFAOYSA-N 0 0 398.513 3.195 40 0 GGABRN COCc1ccc(NC(=O)NC[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1 ZINC000365201519 570659926 /nfs/dbraw/zinc/65/99/26/570659926.db2.gz IYKSOOHQWMZRGK-QGZVFWFLSA-N 0 0 399.491 3.498 40 0 GGABRN CCc1ccccc1NC(=O)CNC(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000024987116 570661733 /nfs/dbraw/zinc/66/17/33/570661733.db2.gz AIALOTNGPMGNQK-UHFFFAOYSA-N 0 0 388.471 3.292 40 0 GGABRN CCN(CC)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000003117289 570662493 /nfs/dbraw/zinc/66/24/93/570662493.db2.gz YGSUDMVWGLUTLK-UHFFFAOYSA-N 0 0 390.505 3.067 40 0 GGABRN Cc1ccccc1-n1nnnc1SCC(=O)N[C@H]1CCCc2ccccc21 ZINC000005351537 570662504 /nfs/dbraw/zinc/66/25/04/570662504.db2.gz YZUUHLCBXDCEKQ-KRWDZBQOSA-N 0 0 379.489 3.257 40 0 GGABRN CCOc1ccc2[nH]c3nc(SCC(=O)N4CCCC[C@@H]4C)nnc3c2c1 ZINC000005444662 570662861 /nfs/dbraw/zinc/66/28/61/570662861.db2.gz SXQOSDZSQNVTCV-LBPRGKRZSA-N 0 0 385.493 3.398 40 0 GGABRN Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2nnnn2C2CCCC2)cc1 ZINC000005738302 570664641 /nfs/dbraw/zinc/66/46/41/570664641.db2.gz STPPMFVQZYOBMF-CTXDPNEZSA-N 0 0 394.523 3.022 40 0 GGABRN Cc1ccc(C(=O)NCC(=O)OCC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000005788228 570665178 /nfs/dbraw/zinc/66/51/78/570665178.db2.gz HKYNUXGKCDYMPQ-QRQLOZEOSA-N 0 0 389.492 3.272 40 0 GGABRN COc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)C(C)C)cc1 ZINC000005624993 570665535 /nfs/dbraw/zinc/66/55/35/570665535.db2.gz XFBMRITXGDJHLL-UHFFFAOYSA-N 0 0 379.460 3.159 40 0 GGABRN CCOc1ccccc1/C=C/C(=O)OCC(=O)NC(=O)Nc1ccccc1F ZINC000006009606 570667653 /nfs/dbraw/zinc/66/76/53/570667653.db2.gz KAQPPOLLQRTJTE-VAWYXSNFSA-N 0 0 386.379 3.129 40 0 GGABRN CSc1ncccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000006584802 570670747 /nfs/dbraw/zinc/67/07/47/570670747.db2.gz ZAVURWHOVOWFEL-UHFFFAOYSA-N 0 0 391.518 3.230 40 0 GGABRN O=C(NC1CCCC1)c1cc(S(=O)(=O)N2CCc3ccccc3C2)cs1 ZINC000006681436 570671935 /nfs/dbraw/zinc/67/19/35/570671935.db2.gz KCYHQCDQVYBLHE-UHFFFAOYSA-N 0 0 390.530 3.168 40 0 GGABRN COCCCn1c(SCC(=O)Nc2ccccc2)nc2ccccc2c1=O ZINC000006678060 570672824 /nfs/dbraw/zinc/67/28/24/570672824.db2.gz HJFKIHUXSBQLIP-UHFFFAOYSA-N 0 0 383.473 3.164 40 0 GGABRN Cc1ccc(O)c(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)cs2)c1 ZINC000006680684 570674348 /nfs/dbraw/zinc/67/43/48/570674348.db2.gz SBWZKXCIUIMJTD-UHFFFAOYSA-N 0 0 394.518 3.435 40 0 GGABRN CC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cs2)cc1 ZINC000006680486 570674415 /nfs/dbraw/zinc/67/44/15/570674415.db2.gz QKKAZIJNNKVZTB-UHFFFAOYSA-N 0 0 392.502 3.378 40 0 GGABRN COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)cs2)cc1 ZINC000006680660 570674498 /nfs/dbraw/zinc/67/44/98/570674498.db2.gz VJVDNLNECYHGGT-UHFFFAOYSA-N 0 0 394.518 3.430 40 0 GGABRN CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccc(OC)cc2OC)c1 ZINC000006680419 570674502 /nfs/dbraw/zinc/67/45/02/570674502.db2.gz NBZCRDGUZBJKQB-UHFFFAOYSA-N 0 0 398.506 3.048 40 0 GGABRN O=C(Oc1cccc2cccnc21)c1cc(S(=O)(=O)N2CCCC2)cs1 ZINC000006680561 570674549 /nfs/dbraw/zinc/67/45/49/570674549.db2.gz BADKBTPQOSMFPZ-UHFFFAOYSA-N 0 0 388.470 3.300 40 0 GGABRN C[C@@H](Oc1ccccc1)C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000036392022 570675239 /nfs/dbraw/zinc/67/52/39/570675239.db2.gz QUUQDGYBZQUWAM-GOSISDBHSA-N 0 0 380.488 3.194 40 0 GGABRN O=C(NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccccc1C(F)(F)F ZINC000371247164 570675289 /nfs/dbraw/zinc/67/52/89/570675289.db2.gz KRHFYNFZMDIOPM-VIFPVBQESA-N 0 0 392.303 3.352 40 0 GGABRN CN(CC(=O)N(C)CC(=O)Nc1ccc(F)cc1)Cc1ccc(Cl)cc1 ZINC000006880993 570676137 /nfs/dbraw/zinc/67/61/37/570676137.db2.gz DMUGJKHPLFFHEM-UHFFFAOYSA-N 0 0 377.847 3.008 40 0 GGABRN CCCOc1ccc([C@H]2C(C(=O)OC(C)C)C(C)=Nc3ncnn32)cc1OC ZINC000004342129 570676927 /nfs/dbraw/zinc/67/69/27/570676927.db2.gz SDOLBKTYVRIHKJ-SFHVURJKSA-N 0 0 386.452 3.316 40 0 GGABRN O=C(CSc1nnc(NC(=O)c2ccccc2)s1)NCc1ccccc1 ZINC000007388360 570677309 /nfs/dbraw/zinc/67/73/09/570677309.db2.gz LUPNJOHZXPVFRR-UHFFFAOYSA-N 0 0 384.486 3.199 40 0 GGABRN Cc1[nH]c2ccccc2c1C(=O)CSc1ccc(S(=O)(=O)N(C)C)cn1 ZINC000005636001 570677452 /nfs/dbraw/zinc/67/74/52/570677452.db2.gz ZZIZKYAXBWCXIV-UHFFFAOYSA-N 0 0 389.502 3.097 40 0 GGABRN CN(C)S(=O)(=O)c1cccc(NC(=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000006882016 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ZINC000006844353 570752271 /nfs/dbraw/zinc/75/22/71/570752271.db2.gz IBJJYXKFWODZFE-UHFFFAOYSA-N 0 0 384.417 3.039 40 0 GGABRN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(OC)ccc1OC)CC3 ZINC000025452897 570752932 /nfs/dbraw/zinc/75/29/32/570752932.db2.gz AYNUJTNRQVJDMT-UHFFFAOYSA-N 0 0 394.427 3.170 40 0 GGABRN O=C(c1ccc(OCC(F)(F)F)nc1)N1CCC[C@@H]1c1nnc2ccccn21 ZINC000025450533 570752953 /nfs/dbraw/zinc/75/29/53/570752953.db2.gz AJGKXEVYHBDIQQ-CYBMUJFWSA-N 0 0 391.353 3.043 40 0 GGABRN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1N1CCCCC1 ZINC000025456561 570753018 /nfs/dbraw/zinc/75/30/18/570753018.db2.gz MUTXWANWPDLXPO-UHFFFAOYSA-N 0 0 398.507 3.260 40 0 GGABRN CCOc1cc2c(cc1CNC(=O)c1cnc3ccccc3c1O)O[C@@H](C)C2 ZINC000032713670 570753459 /nfs/dbraw/zinc/75/34/59/570753459.db2.gz BZWVETRUNVIVJW-ZDUSSCGKSA-N 0 0 378.428 3.180 40 0 GGABRN Cc1cc(-n2c(C)cc(/C=C/C(=O)NC[C@H]3COc4ccccc4O3)c2C)no1 ZINC000025465526 570755327 /nfs/dbraw/zinc/75/53/27/570755327.db2.gz SEMPMIYGNHGALA-BLGFXRMMSA-N 0 0 393.443 3.360 40 0 GGABRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 ZINC000007232280 570757296 /nfs/dbraw/zinc/75/72/96/570757296.db2.gz IBXPAFNCZHMFAN-WMZOPIPTSA-N 0 0 380.444 3.086 40 0 GGABRN Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 ZINC000007232240 570757384 /nfs/dbraw/zinc/75/73/84/570757384.db2.gz NXUWQUDAKXRDRC-AEFFLSMTSA-N 0 0 380.444 3.086 40 0 GGABRN COC(=O)c1cccc(NC(=O)CSc2n[nH]c(-c3ccc(C)cc3)n2)c1 ZINC000007341964 570757770 /nfs/dbraw/zinc/75/77/70/570757770.db2.gz YXEKYEDVAQTFGW-UHFFFAOYSA-N 0 0 382.445 3.298 40 0 GGABRN COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1C(=O)N1CCCC1 ZINC000007361284 570758233 /nfs/dbraw/zinc/75/82/33/570758233.db2.gz PFYIUEPSIUAFAZ-UHFFFAOYSA-N 0 0 388.489 3.349 40 0 GGABRN O=C1N[C@@H](c2ccccc2)[C@H]2CCC[C@H]3[C@@H](c4ccccc4)NC(=O)N[C@@]23N1 ZINC000256055908 570758364 /nfs/dbraw/zinc/75/83/64/570758364.db2.gz YTDXNUCXPAAPJS-TZDBLYRBSA-N 0 0 376.460 3.207 40 0 GGABRN CCCOc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCOCC2)c1 ZINC000007389853 570758659 /nfs/dbraw/zinc/75/86/59/570758659.db2.gz IDBFKBRZUFZJTH-UHFFFAOYSA-N 0 0 398.459 3.351 40 0 GGABRN Cc1ccc(N2C[C@H](C(=O)N3CCN(c4ccccc4F)CC3)CC2=O)cc1C ZINC000007452598 570758977 /nfs/dbraw/zinc/75/89/77/570758977.db2.gz JWIBSYFQSJBKMC-GOSISDBHSA-N 0 0 395.478 3.144 40 0 GGABRN Cc1ccc(N2C[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)cc1C ZINC000007452503 570759082 /nfs/dbraw/zinc/75/90/82/570759082.db2.gz NKGZLWOTBMHXPO-GOSISDBHSA-N 0 0 395.478 3.144 40 0 GGABRN COc1ccc(-c2cccc(CC3(C(=O)N[C@@H](C)CO)CCOCC3)c2)cc1 ZINC000257197639 570759730 /nfs/dbraw/zinc/75/97/30/570759730.db2.gz FKPMMACLKFHATN-KRWDZBQOSA-N 0 0 383.488 3.199 40 0 GGABRN O=C(c1ccc(N2CCOCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000007504799 570759857 /nfs/dbraw/zinc/75/98/57/570759857.db2.gz QIYRGZVOBVEXTO-UHFFFAOYSA-N 0 0 385.895 3.139 40 0 GGABRN COCC(=O)N1[C@H](c2cccc(C(F)(F)F)c2)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257200497 570759937 /nfs/dbraw/zinc/75/99/37/570759937.db2.gz ADOMSZJCXBGUEW-PMPSAXMXSA-N 0 0 384.398 3.053 40 0 GGABRN CCOc1ccc(-c2cc(C(=O)N3CCC[C@]4(C)NC(=O)CCC[C@H]34)[nH]n2)cc1 ZINC000257203453 570760032 /nfs/dbraw/zinc/76/00/32/570760032.db2.gz AQCZFUCPAXLDTD-UGKGYDQZSA-N 0 0 396.491 3.139 40 0 GGABRN C[C@]1(O)CN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC[C@@H]1Oc1ccccc1 ZINC000257201621 570760111 /nfs/dbraw/zinc/76/01/11/570760111.db2.gz AIIUKEIPYKAZJU-UNMCSNQZSA-N 0 0 377.444 3.121 40 0 GGABRN CCc1nnsc1C(=O)N1CC[C@H](Cc2cccc(-c3c(C)noc3C)n2)C1 ZINC000257200770 570760145 /nfs/dbraw/zinc/76/01/45/570760145.db2.gz AEUVFDKYHAJOLB-CQSZACIVSA-N 0 0 397.504 3.472 40 0 GGABRN Nc1nccc([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)n1 ZINC000257200852 570760281 /nfs/dbraw/zinc/76/02/81/570760281.db2.gz AFCUOWKWLNDAHL-CQSZACIVSA-N 0 0 378.432 3.397 40 0 GGABRN Cc1noc(C)c1-c1cc(C)nc([C@@H]2CCCCN2C(=O)c2cnn(C)c2)n1 ZINC000257202255 570760326 /nfs/dbraw/zinc/76/03/26/570760326.db2.gz ALBMZURQNZBPTR-KRWDZBQOSA-N 0 0 380.452 3.158 40 0 GGABRN CN(C(=O)c1cc[nH]n1)[C@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O ZINC000257203699 570760706 /nfs/dbraw/zinc/76/07/06/570760706.db2.gz ARGKFRHRMIBPBM-PYDYAWQMSA-N 0 0 383.492 3.117 40 0 GGABRN CCN1C(=O)C[C@@H](C(=O)N(Cc2ccccn2)C2CC2)[C@@H]1c1ccccc1OC ZINC000257206162 570760756 /nfs/dbraw/zinc/76/07/56/570760756.db2.gz BCDBZVWQOMUFLG-KNQAVFIVSA-N 0 0 393.487 3.191 40 0 GGABRN CCCCOc1ccc(NC(=O)CN2CC[C@@H](OC)[C@@]3(CCCO3)C2)cc1 ZINC000257210564 570761120 /nfs/dbraw/zinc/76/11/20/570761120.db2.gz BVDVGFFYLYEMNJ-TZIWHRDSSA-N 0 0 376.497 3.074 40 0 GGABRN CO[C@H]1CCN(CC(=O)Nc2ccc(Oc3cccnc3)cc2)C[C@]12CCCO2 ZINC000257209362 570761251 /nfs/dbraw/zinc/76/12/51/570761251.db2.gz BQBYQNOYBSTBMR-RBBKRZOGSA-N 0 0 397.475 3.082 40 0 GGABRN Cc1cc(C(=O)N2CCC[C@H](c3ccc(CO)c(-c4c(C)noc4C)n3)C2)on1 ZINC000257211829 570761622 /nfs/dbraw/zinc/76/16/22/570761622.db2.gz CAPWHKGUHSERPG-HNNXBMFYSA-N 0 0 396.447 3.162 40 0 GGABRN CCN(CC)C(=O)CN1CCO[C@@H](c2cc(Cc3cccc(F)c3)cc(C)n2)C1 ZINC000257213433 570761653 /nfs/dbraw/zinc/76/16/53/570761653.db2.gz CHOOZPBZQGZHHQ-JOCHJYFZSA-N 0 0 399.510 3.362 40 0 GGABRN CC(C)c1cc(C(=O)N2CCC3(C[C@@H](N(C)c4ccccc4)CO3)CC2)n(C)n1 ZINC000257213302 570761675 /nfs/dbraw/zinc/76/16/75/570761675.db2.gz CGYZLHBHBFVUSM-LJQANCHMSA-N 0 0 396.535 3.444 40 0 GGABRN Cc1cc(C(=O)N2CCC[C@@H](c3ccc(CO)c(-c4c(C)noc4C)n3)C2)on1 ZINC000257211830 570761690 /nfs/dbraw/zinc/76/16/90/570761690.db2.gz CAPWHKGUHSERPG-OAHLLOKOSA-N 0 0 396.447 3.162 40 0 GGABRN O=C(COc1ccc(F)cc1)N1C[C@@H](c2ccccc2)[C@]2(C1)CCCCC(=O)N2 ZINC000257211702 570761703 /nfs/dbraw/zinc/76/17/03/570761703.db2.gz BZZMRJAVSPMTSF-NZQKXSOJSA-N 0 0 396.462 3.260 40 0 GGABRN Cc1cc(Nc2cccc([C@H]3CN(C(=O)C4CCCCC4)CCO3)n2)nn1C ZINC000257211397 570761716 /nfs/dbraw/zinc/76/17/16/570761716.db2.gz BYRUYNAWTIAWLD-GOSISDBHSA-N 0 0 383.496 3.347 40 0 GGABRN CN(c1ccccc1)[C@H]1COC2(C1)CCN(C(=O)COc1ccc(F)cc1)CC2 ZINC000257211216 570761751 /nfs/dbraw/zinc/76/17/51/570761751.db2.gz BXYIYNPYFZZGJC-HXUWFJFHSA-N 0 0 398.478 3.491 40 0 GGABRN CCN(c1ccccc1)[C@@H]1COC2(C1)CCN(C(=O)COc1cccnc1)CC2 ZINC000257215502 570762008 /nfs/dbraw/zinc/76/20/08/570762008.db2.gz CQKIXUHRQHXGPE-FQEVSTJZSA-N 0 0 395.503 3.137 40 0 GGABRN COc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)CCO)c1F ZINC000257214647 570762152 /nfs/dbraw/zinc/76/21/52/570762152.db2.gz CMUCQZBQKXVJCP-BFDYTVALSA-N 0 0 391.483 3.215 40 0 GGABRN Cn1cc(C(=O)N2CCC[C@](C)(c3ncc(Cc4cccc(F)c4)o3)C2)cn1 ZINC000257220332 570762521 /nfs/dbraw/zinc/76/25/21/570762521.db2.gz DKKNVZAHIULXTO-NRFANRHFSA-N 0 0 382.439 3.332 40 0 GGABRN Cc1c(CN2CCO[C@@H](c3cccc(Cc4ccc(F)cc4)n3)C2)cnn1C ZINC000257219736 570762682 /nfs/dbraw/zinc/76/26/82/570762682.db2.gz DHYLMIYRZPEVOM-JOCHJYFZSA-N 0 0 380.467 3.427 40 0 GGABRN COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3ccnn3C)C2)o1 ZINC000257219881 570762777 /nfs/dbraw/zinc/76/27/77/570762777.db2.gz DIPXFKBYKREQRX-MRXNPFEDSA-N 0 0 380.448 3.027 40 0 GGABRN COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)c3ccnn3C)C2)o1 ZINC000257219880 570762792 /nfs/dbraw/zinc/76/27/92/570762792.db2.gz DIPXFKBYKREQRX-INIZCTEOSA-N 0 0 380.448 3.027 40 0 GGABRN CCOc1ccccc1CCC(=O)N1CCC(Oc2cc(C)oc(=O)c2)CC1 ZINC000206972359 570762878 /nfs/dbraw/zinc/76/28/78/570762878.db2.gz JTDZKSLIGPZSAT-UHFFFAOYSA-N 0 0 385.460 3.350 40 0 GGABRN COc1ccccc1CC(=O)N1CCC[C@H](c2cc(-c3ncc[nH]3)nc(C)n2)C1 ZINC000257222686 570763062 /nfs/dbraw/zinc/76/30/62/570763062.db2.gz DUIRUIAXTHXFDQ-KRWDZBQOSA-N 0 0 391.475 3.132 40 0 GGABRN Cc1ncc(-c2nccnc2[C@@H]2CCCN(C(=O)c3cc(F)cc(F)c3)C2)n1C ZINC000257221451 570763102 /nfs/dbraw/zinc/76/31/02/570763102.db2.gz DPBZSWCWWAVKNM-CQSZACIVSA-N 0 0 397.429 3.484 40 0 GGABRN CC(=O)N1CCC[C@@]2(C)[C@H]1CCCN2C(=O)c1cc(-c2ccccc2F)no1 ZINC000257222445 570763145 /nfs/dbraw/zinc/76/31/45/570763145.db2.gz DTIPDELZOBWIQM-CTNGQTDRSA-N 0 0 385.439 3.486 40 0 GGABRN CCNc1nc(C)c(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)N3C(C)=O)s1 ZINC000257221506 570763187 /nfs/dbraw/zinc/76/31/87/570763187.db2.gz DPJCDOLTABYYKD-KSVNGYGVSA-N 0 0 390.553 3.277 40 0 GGABRN Cc1noc(C)c1-c1cnc(CC[C@@H]2CCCN2C(=O)c2cnc(C)nc2)cn1 ZINC000257222804 570763190 /nfs/dbraw/zinc/76/31/90/570763190.db2.gz DUSUDWYXABIQQZ-SFHVURJKSA-N 0 0 392.463 3.084 40 0 GGABRN Cc1noc(C)c1-c1cc(C)nc([C@@H]2CCCCN2C(=O)Cn2ccnc2)n1 ZINC000257224244 570763523 /nfs/dbraw/zinc/76/35/23/570763523.db2.gz FAXXMCJTWYLBJV-KRWDZBQOSA-N 0 0 380.452 3.007 40 0 GGABRN Cc1ncsc1C(=O)N1CCO[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257225296 570763636 /nfs/dbraw/zinc/76/36/36/570763636.db2.gz FFQWWVMIQWDNTC-MRXNPFEDSA-N 0 0 387.436 3.383 40 0 GGABRN CN(C)C(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)C2CC2)CC1 ZINC000257226884 570764051 /nfs/dbraw/zinc/76/40/51/570764051.db2.gz FMPLUTVOABXQNY-UHFFFAOYSA-N 0 0 391.515 3.398 40 0 GGABRN COc1ccc(CN(C)C(=O)COc2ccc(C(C)=O)cc2OC)cc1F ZINC000032719749 570764280 /nfs/dbraw/zinc/76/42/80/570764280.db2.gz QJGFGOYLJKAZEB-UHFFFAOYSA-N 0 0 375.396 3.083 40 0 GGABRN CCCC(=O)N1CCC[C@H](c2nc(C)c(CC(=O)NC3CCCC3)c(C)n2)C1 ZINC000257228199 570764570 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395.459 3.020 40 0 GGABRN C[C@H](COc1ccccc1)Nc1cc(-c2c3c(nn2C)CCCC3)nc(N)n1 ZINC000257324681 570781781 /nfs/dbraw/zinc/78/17/81/570781781.db2.gz WPRKDQQIUCOJMW-CQSZACIVSA-N 0 0 378.480 3.218 40 0 GGABRN Cc1cc(Nc2cccc(C3(CO)CCN(C(=O)C4CCCCC4)CC3)n2)n[nH]1 ZINC000257325284 570781838 /nfs/dbraw/zinc/78/18/38/570781838.db2.gz WSGWTMSZVLEXNB-UHFFFAOYSA-N 0 0 397.523 3.290 40 0 GGABRN CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNC(=O)Cc4ccccc4)OCC[C@@]31C2 ZINC000257326531 570781902 /nfs/dbraw/zinc/78/19/02/570781902.db2.gz WXOFZHPVBZVNHL-LMEXZFPPSA-N 0 0 398.547 3.081 40 0 GGABRN CCN1C(=O)CC[C@@H](C(=O)NCCOc2ccccc2)[C@@H]1c1ccccc1OC ZINC000257325079 570781917 /nfs/dbraw/zinc/78/19/17/570781917.db2.gz WRHYUHLPOMQLFJ-KNQAVFIVSA-N 0 0 396.487 3.190 40 0 GGABRN CNC(=O)c1cnn2c1nccc2[C@@H]1CCCCN1C(=O)CC1CCCCC1 ZINC000257327104 570781960 /nfs/dbraw/zinc/78/19/60/570781960.db2.gz WZYCTBYCYYFATP-KRWDZBQOSA-N 0 0 383.496 3.113 40 0 GGABRN Cc1noc(C)c1-c1cncc(CC[C@@H]2CCCN2C(=O)c2cnc(C)nc2)n1 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570783455 /nfs/dbraw/zinc/78/34/55/570783455.db2.gz YGBAPRWFYQTELY-BBTHKVSRSA-N 0 0 389.492 3.499 40 0 GGABRN Cc1ncc(-c2cncc([C@H]3CCCN(C(=O)c4cccc(F)c4)C3)n2)n1C ZINC000257334954 570783558 /nfs/dbraw/zinc/78/35/58/570783558.db2.gz YHZQTFYNAKONFF-INIZCTEOSA-N 0 0 379.439 3.344 40 0 GGABRN COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(-c3ccccc3)nn21 ZINC000010153368 570783648 /nfs/dbraw/zinc/78/36/48/570783648.db2.gz JRQBKWZKYCHVFP-CQSZACIVSA-N 0 0 397.822 3.129 40 0 GGABRN Cn1ccnc1-c1cnc(C[C@H]2CCC[N@H+](Cc3ccccc3C(=O)[O-])C2)cn1 ZINC000257338156 570783884 /nfs/dbraw/zinc/78/38/84/570783884.db2.gz YWEGFMNFPZJBHO-MRXNPFEDSA-N 0 0 391.475 3.030 40 0 GGABRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccccc1OC ZINC000010119847 570783997 /nfs/dbraw/zinc/78/39/97/570783997.db2.gz UXVWXXXPAMIQIU-UHFFFAOYSA-N 0 0 381.417 3.122 40 0 GGABRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccc(C)c1OC ZINC000010119874 570784007 /nfs/dbraw/zinc/78/40/07/570784007.db2.gz DWBBMELQHYZEJC-UHFFFAOYSA-N 0 0 395.444 3.431 40 0 GGABRN Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCCN2C(=O)c2cn(C)cn2)n1 ZINC000257340639 570784552 /nfs/dbraw/zinc/78/45/52/570784552.db2.gz ZGZPCESPVVVSQD-KRWDZBQOSA-N 0 0 380.452 3.158 40 0 GGABRN CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)C2CCCC2)CC1 ZINC000257342368 570784567 /nfs/dbraw/zinc/78/45/67/570784567.db2.gz ZOHLZJHREZXGLO-MQSCRBSSSA-N 0 0 386.536 3.013 40 0 GGABRN C[NH+]1CCC(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)CC1 ZINC000257342969 570784628 /nfs/dbraw/zinc/78/46/28/570784628.db2.gz ZQUNUSXODCLANK-SFHVURJKSA-N 0 0 385.483 3.452 40 0 GGABRN Cn1cncc1-c1nccnc1C[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC000257341028 570784633 /nfs/dbraw/zinc/78/46/33/570784633.db2.gz ZINGVDRIZDTOIB-CQSZACIVSA-N 0 0 397.429 3.250 40 0 GGABRN Cn1[n-]c(C2CC[NH+](Cc3ccc(-c4ccccc4C(=O)[O-])o3)CC2)cc1=O ZINC000257342353 570784703 /nfs/dbraw/zinc/78/47/03/570784703.db2.gz ZOFXNLNPXALEBA-UHFFFAOYSA-N 0 0 381.432 3.464 40 0 GGABRN COc1ccc(OC)c([C@H](C)NC(=O)c2cc(OC)c(OC)cc2OC)c1 ZINC000032741095 570786635 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397.455 3.301 40 0 GGABRN COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC000010324308 570789215 /nfs/dbraw/zinc/78/92/15/570789215.db2.gz VBHWVMQSDHSWMA-LLVKDONJSA-N 0 0 394.880 3.312 40 0 GGABRN COc1cc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c(OC)cc1Cl ZINC000010358581 570789666 /nfs/dbraw/zinc/78/96/66/570789666.db2.gz WQOOSLFEWASQGZ-UHFFFAOYSA-N 0 0 398.868 3.289 40 0 GGABRN CC(C)(C)NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000010367661 570789766 /nfs/dbraw/zinc/78/97/66/570789766.db2.gz KUWZWDPIPLZKJU-UHFFFAOYSA-N 0 0 378.469 3.320 40 0 GGABRN Cc1ccc(N(CC(=O)N2CCCc3ccccc32)S(C)(=O)=O)cc1Cl ZINC000010449546 570790620 /nfs/dbraw/zinc/79/06/20/570790620.db2.gz ZNNTWOYYNFZVOU-UHFFFAOYSA-N 0 0 392.908 3.394 40 0 GGABRN CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccccc2F)n1N)c1ccccc1 ZINC000007113226 570790773 /nfs/dbraw/zinc/79/07/73/570790773.db2.gz SKCKSGJRZZGUSF-KRWDZBQOSA-N 0 0 399.495 3.500 40 0 GGABRN CCN(CC)C(=O)[C@H](Sc1nnc(-c2ccccc2F)n1N)c1ccccc1 ZINC000007113224 570790800 /nfs/dbraw/zinc/79/08/00/570790800.db2.gz SKCKSGJRZZGUSF-QGZVFWFLSA-N 0 0 399.495 3.500 40 0 GGABRN O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000004469577 570790830 /nfs/dbraw/zinc/79/08/30/570790830.db2.gz BAPDVPWKHAYYLY-UHFFFAOYSA-N 0 0 383.370 3.289 40 0 GGABRN Cc1ccc(N([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)S(C)(=O)=O)cc1C ZINC000010449859 570791050 /nfs/dbraw/zinc/79/10/50/570791050.db2.gz GLYBBMXNRPMKAR-DLBZAZTESA-N 0 0 386.517 3.436 40 0 GGABRN COC(=O)c1ccc(C(=O)OCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000004463289 570793993 /nfs/dbraw/zinc/79/39/93/570793993.db2.gz YKTDACFLGGZQCD-UHFFFAOYSA-N 0 0 391.807 3.239 40 0 GGABRN O=C(COC(=O)c1cnc2ccccc2n1)N1CCC(Cc2ccccc2)CC1 ZINC000022123329 570794666 /nfs/dbraw/zinc/79/46/66/570794666.db2.gz IPPRSKVULPVIJX-UHFFFAOYSA-N 0 0 389.455 3.268 40 0 GGABRN Cc1c(C)c(C)c(S(=O)(=O)N2CCN(Cc3cscn3)CC2)c(C)c1C ZINC000032759473 570794675 /nfs/dbraw/zinc/79/46/75/570794675.db2.gz FDRJUWXDUUJXEW-UHFFFAOYSA-N 0 0 393.578 3.192 40 0 GGABRN Cc1c(NC(=O)[C@H](C)N2CCCc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000032753204 570796063 /nfs/dbraw/zinc/79/60/63/570796063.db2.gz XOCBFFHSHLGPKI-KRWDZBQOSA-N 0 0 390.487 3.264 40 0 GGABRN CCCCOC(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000011609336 570796139 /nfs/dbraw/zinc/79/61/39/570796139.db2.gz REYAEGYHPTWFKQ-UHFFFAOYSA-N 0 0 390.461 3.267 40 0 GGABRN Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H](c3nc(C)no3)C2)s1 ZINC000238814547 570798909 /nfs/dbraw/zinc/79/89/09/570798909.db2.gz BDEBJGMOSFRWJQ-JKSUJKDBSA-N 0 0 389.502 3.320 40 0 GGABRN Cc1c(C(=O)N2CC[C@H](c3noc(C(F)(F)F)n3)C2)cnn1-c1ccccc1 ZINC000238820819 570799347 /nfs/dbraw/zinc/79/93/47/570799347.db2.gz CPNMSTNDNSIMKF-LBPRGKRZSA-N 0 0 391.353 3.212 40 0 GGABRN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCc1ccc(C)cc1C ZINC000023013866 570800407 /nfs/dbraw/zinc/80/04/07/570800407.db2.gz JINKQSCHYBQKTM-UHFFFAOYSA-N 0 0 396.487 3.494 40 0 GGABRN COC(=O)c1ccc2c(c1)nc(COC(=O)c1oc3ccccc3c1C)[nH]c2=O ZINC000007135173 570804476 /nfs/dbraw/zinc/80/44/76/570804476.db2.gz VEXISUYVORDTHG-UHFFFAOYSA-N 0 0 392.367 3.121 40 0 GGABRN CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000175137834 570805284 /nfs/dbraw/zinc/80/52/84/570805284.db2.gz DQWJLGJUDNMYSM-SUMWQHHRSA-N 0 0 379.453 3.264 40 0 GGABRN CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000175137860 570805437 /nfs/dbraw/zinc/80/54/37/570805437.db2.gz DQWJLGJUDNMYSM-CXAGYDPISA-N 0 0 379.453 3.264 40 0 GGABRN O=C(Cc1ccccc1F)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000032772528 570805866 /nfs/dbraw/zinc/80/58/66/570805866.db2.gz YPCANFOMGILMRA-HXUWFJFHSA-N 0 0 382.435 3.175 40 0 GGABRN COc1cc(N)c(Cl)cc1C(=O)OCC(=O)c1ccc(NC(C)=O)cc1F ZINC000007157065 570805991 /nfs/dbraw/zinc/80/59/91/570805991.db2.gz HRRULNAGDBQQHJ-UHFFFAOYSA-N 0 0 394.786 3.068 40 0 GGABRN CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000175418582 570806376 /nfs/dbraw/zinc/80/63/76/570806376.db2.gz RHJABQDDUZMPPL-DNVCBOLYSA-N 0 0 375.490 3.433 40 0 GGABRN CCCC(=O)Nc1ccc(C(=O)COC(=O)COc2ccccc2OC)cc1 ZINC000007159916 570806431 /nfs/dbraw/zinc/80/64/31/570806431.db2.gz VBCKBZAKZQMGNK-UHFFFAOYSA-N 0 0 385.416 3.239 40 0 GGABRN COc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)Nc3ccc(OC)cc3)C2)cc1 ZINC000012470686 570807232 /nfs/dbraw/zinc/80/72/32/570807232.db2.gz YHPZQZCTOCHSQZ-QGZVFWFLSA-N 0 0 397.475 3.264 40 0 GGABRN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1 ZINC000012472111 570807269 /nfs/dbraw/zinc/80/72/69/570807269.db2.gz NRQPXPRUHBLEOH-MRXNPFEDSA-N 0 0 385.395 3.232 40 0 GGABRN C[C@@H](Nc1ncnc2sc3c(c21)CCCC3)c1ccc(S(N)(=O)=O)cc1 ZINC000005959365 570809116 /nfs/dbraw/zinc/80/91/16/570809116.db2.gz JOQDSQFDTOPOBX-LLVKDONJSA-N 0 0 388.518 3.391 40 0 GGABRN CC[C@H](Oc1cccc(C)c1)C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000176041917 570809406 /nfs/dbraw/zinc/80/94/06/570809406.db2.gz DWGJDVPRQPOPEC-QFIPXVFZSA-N 0 0 382.504 3.301 40 0 GGABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000036760370 570810143 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Cc1ccc(C)c(OCCC(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000006034127 570815650 /nfs/dbraw/zinc/81/56/50/570815650.db2.gz AQYQTUCGLXSPDS-HNNXBMFYSA-N 0 0 385.416 3.371 40 0 GGABRN COCCn1c(S[C@H](C)C(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1 ZINC000006035305 570815784 /nfs/dbraw/zinc/81/57/84/570815784.db2.gz WRROVAVAJTZQNJ-CYBMUJFWSA-N 0 0 394.928 3.348 40 0 GGABRN O=C([C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)N1CCn2c3ccccc3nc21 ZINC000032796064 570817874 /nfs/dbraw/zinc/81/78/74/570817874.db2.gz OUNGZESAUOZSJS-CYBMUJFWSA-N 0 0 380.835 3.089 40 0 GGABRN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(OC(F)F)cc2)cc1OC ZINC000007228389 570818034 /nfs/dbraw/zinc/81/80/34/570818034.db2.gz XOCDWIRVVVMNMJ-LLVKDONJSA-N 0 0 395.358 3.489 40 0 GGABRN O=C([C@H]1CC(=O)N(c2cccc(Cl)c2)C1)N1CCn2c3ccccc3nc21 ZINC000032796063 570817972 /nfs/dbraw/zinc/81/79/72/570817972.db2.gz OUNGZESAUOZSJS-ZDUSSCGKSA-N 0 0 380.835 3.089 40 0 GGABRN CCc1c(C(=O)N(CC)CC(=O)NC(C)C)cnn1-c1cccc(Cl)c1 ZINC000032796769 570818998 /nfs/dbraw/zinc/81/89/98/570818998.db2.gz OBRMWUXETQNXIP-UHFFFAOYSA-N 0 0 376.888 3.075 40 0 GGABRN Cc1c(NS(=O)(=O)c2cc(Cl)ccc2C)c(=O)n(-c2ccccc2)n1C ZINC000031665118 570819580 /nfs/dbraw/zinc/81/95/80/570819580.db2.gz UBKLRDCQNPDZAR-UHFFFAOYSA-N 0 0 391.880 3.247 40 0 GGABRN CN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000007247534 570819897 /nfs/dbraw/zinc/81/98/97/570819897.db2.gz SQYZQKKUWSRLET-UHFFFAOYSA-N 0 0 387.379 3.297 40 0 GGABRN CC(C)C[C@H](NC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000032801908 570820682 /nfs/dbraw/zinc/82/06/82/570820682.db2.gz UYIQQXJZDPWGTO-KXBFYZLASA-N 0 0 389.521 3.482 40 0 GGABRN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2cccc(C)n2)cc1 ZINC000036892866 570824406 /nfs/dbraw/zinc/82/44/06/570824406.db2.gz OFGHELHDRGQEJX-KRWDZBQOSA-N 0 0 375.494 3.030 40 0 GGABRN O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCN(c2ccc(F)cc2)CC1 ZINC000007282836 570824985 /nfs/dbraw/zinc/82/49/85/570824985.db2.gz PTEMNGXROZYYCU-UHFFFAOYSA-N 0 0 376.815 3.213 40 0 GGABRN COc1ccc(-c2nnn(CC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000001224406 570826953 /nfs/dbraw/zinc/82/69/53/570826953.db2.gz UICKSNQYDIKDSO-UHFFFAOYSA-N 0 0 377.326 3.006 40 0 GGABRN Cc1cc(C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)c2ccccc2n1 ZINC000005702264 570827765 /nfs/dbraw/zinc/82/77/65/570827765.db2.gz WKGOVQWQFKDZTJ-UHFFFAOYSA-N 0 0 386.415 3.411 40 0 GGABRN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1OCC ZINC000007361233 570833830 /nfs/dbraw/zinc/83/38/30/570833830.db2.gz IVGMNLLFXCBQOR-UHFFFAOYSA-N 0 0 379.434 3.056 40 0 GGABRN COc1cccc(C(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 ZINC000033187481 570840723 /nfs/dbraw/zinc/84/07/23/570840723.db2.gz LCUSWZHCEMCUTN-UHFFFAOYSA-N 0 0 392.377 3.312 40 0 GGABRN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccccc1OC(F)(F)F ZINC000102119792 570841027 /nfs/dbraw/zinc/84/10/27/570841027.db2.gz BVMLQEXWAUEYTJ-VXGBXAGGSA-N 0 0 384.354 3.089 40 0 GGABRN CCOC(=O)c1oc2ccccc2c1COC(=O)[C@@H]1COc2ccccc2O1 ZINC000007427371 570842714 /nfs/dbraw/zinc/84/27/14/570842714.db2.gz FIERTXMNUMOWLG-SFHVURJKSA-N 0 0 382.368 3.493 40 0 GGABRN COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C ZINC000014388244 570843418 /nfs/dbraw/zinc/84/34/18/570843418.db2.gz MLXKKQJRWIBNCP-GFCCVEGCSA-N 0 0 396.896 3.090 40 0 GGABRN CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000007437361 570843491 /nfs/dbraw/zinc/84/34/91/570843491.db2.gz ZIFNWRFKFCDMRS-HXUWFJFHSA-N 0 0 380.488 3.491 40 0 GGABRN CCC(CC)C(=O)N1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)CC1 ZINC000032829788 570844218 /nfs/dbraw/zinc/84/42/18/570844218.db2.gz WGTKLNQTQODJCH-UHFFFAOYSA-N 0 0 392.443 3.065 40 0 GGABRN CCN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(OCCOC)c(C)c1 ZINC000032831122 570844655 /nfs/dbraw/zinc/84/46/55/570844655.db2.gz BNGONDGYWVFTJH-UHFFFAOYSA-N 0 0 381.469 3.370 40 0 GGABRN Cc1ccc(C)c(-c2csc(NC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)n2)c1 ZINC000007472317 570847870 /nfs/dbraw/zinc/84/78/70/570847870.db2.gz VTLPRVKFIAJCJX-HXUWFJFHSA-N 0 0 398.488 3.086 40 0 GGABRN CCCCNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013585075 570851251 /nfs/dbraw/zinc/85/12/51/570851251.db2.gz HLONDQWATJQAAG-UHFFFAOYSA-N 0 0 390.505 3.115 40 0 GGABRN CCOc1ccc(OCC(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000004539609 570851548 /nfs/dbraw/zinc/85/15/48/570851548.db2.gz ADWPFCINVKNCGK-LBPRGKRZSA-N 0 0 378.812 3.083 40 0 GGABRN C[C@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)N(C)Cc1ccccc1 ZINC000004540180 570851569 /nfs/dbraw/zinc/85/15/69/570851569.db2.gz OSFYLWBFHACRBK-KBXCAEBGSA-N 0 0 398.484 3.080 40 0 GGABRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000033231956 570855306 /nfs/dbraw/zinc/85/53/06/570855306.db2.gz VLWSIAAXLODKME-UHFFFAOYSA-N 0 0 382.460 3.275 40 0 GGABRN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccccc1Cc1ccccc1 ZINC000032857512 570855596 /nfs/dbraw/zinc/85/55/96/570855596.db2.gz ICDPQMVVRLYJQB-UHFFFAOYSA-N 0 0 399.450 3.309 40 0 GGABRN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000004716123 570856488 /nfs/dbraw/zinc/85/64/88/570856488.db2.gz CBIBDJZLKBJQPE-LJQANCHMSA-N 0 0 391.431 3.223 40 0 GGABRN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cccc(C(=O)OC)c2)C1=O ZINC000032859597 570859856 /nfs/dbraw/zinc/85/98/56/570859856.db2.gz BLQZVQJAUQEUDE-HXUWFJFHSA-N 0 0 386.835 3.484 40 0 GGABRN O=C(c1cnn(-c2ccccc2)c1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000032863826 570861602 /nfs/dbraw/zinc/86/16/02/570861602.db2.gz WIZDLLCAPHWBKD-UHFFFAOYSA-N 0 0 378.451 3.360 40 0 GGABRN CSCC[C@H](C(=O)Nc1ccccc1F)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000102874712 570867326 /nfs/dbraw/zinc/86/73/26/570867326.db2.gz FQZKINCNZUFESH-HEHGZKQESA-N 0 0 378.469 3.061 40 0 GGABRN COc1ccccc1/C=C/C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000014000059 570869409 /nfs/dbraw/zinc/86/94/09/570869409.db2.gz SBSGOYIOBVLQLS-UJGDBWEASA-N 0 0 380.444 3.256 40 0 GGABRN O=C1N[C@H](c2ccccc2)C(=C(O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000102861560 570869527 /nfs/dbraw/zinc/86/95/27/570869527.db2.gz SHNBOUGTFVGPKS-JJRVBVJISA-N 0 0 398.768 3.444 40 0 GGABRN COCCn1c(SCC(=O)Nc2ccc(C)cc2)nc2ccccc2c1=O ZINC000003493588 570872891 /nfs/dbraw/zinc/87/28/91/570872891.db2.gz FYJBSGPFZAJBLO-UHFFFAOYSA-N 0 0 383.473 3.082 40 0 GGABRN CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)N3CCc4ccccc43)CC2)c(F)c1 ZINC000015040435 570873768 /nfs/dbraw/zinc/87/37/68/570873768.db2.gz DJGYHZFKOHNZLJ-INIZCTEOSA-N 0 0 395.478 3.128 40 0 GGABRN CCN(CC)C(=O)C(=O)c1cn(CC(=O)N2[C@@H](C)CCC[C@@H]2C)c2ccccc12 ZINC000014136097 570877180 /nfs/dbraw/zinc/87/71/80/570877180.db2.gz LVCYGHUFNQRHRS-IRXDYDNUSA-N 0 0 397.519 3.482 40 0 GGABRN Cc1nn(C)c2nc(C)cc(C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)c12 ZINC000024488227 570879693 /nfs/dbraw/zinc/87/96/93/570879693.db2.gz RQGBIAZDBFUSIN-UHFFFAOYSA-N 0 0 388.475 3.102 40 0 GGABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2cccnc2)ccc1C ZINC000014155522 570879742 /nfs/dbraw/zinc/87/97/42/570879742.db2.gz IIWVRBMQNKXMRB-UHFFFAOYSA-N 0 0 395.484 3.429 40 0 GGABRN COC(=O)c1cc(NC(=O)c2cc(-c3cccs3)on2)cc(C(=O)OC)c1 ZINC000032878702 570879902 /nfs/dbraw/zinc/87/99/02/570879902.db2.gz KPPFJECACJKDGW-UHFFFAOYSA-N 0 0 386.385 3.229 40 0 GGABRN CCCNS(=O)(=O)c1cc(C(=O)Nc2cccc(SC)c2)ccc1OC ZINC000014291947 570882057 /nfs/dbraw/zinc/88/20/57/570882057.db2.gz YJWXIMADWJNNLU-UHFFFAOYSA-N 0 0 394.518 3.358 40 0 GGABRN CCn1cc(Cn2cc(NC(=O)c3nc(-c4ccc(C)cc4)no3)cn2)c(C)n1 ZINC000036612515 570882616 /nfs/dbraw/zinc/88/26/16/570882616.db2.gz JMMZCPZARSZLTJ-UHFFFAOYSA-N 0 0 391.435 3.067 40 0 GGABRN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cnn(-c2ccccc2)n1 ZINC000044513421 570882659 /nfs/dbraw/zinc/88/26/59/570882659.db2.gz CBNDNNHNPLUXCE-UHFFFAOYSA-N 0 0 377.448 3.067 40 0 GGABRN CCn1cc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3c2cnn3C)cn1 ZINC000036613375 570883446 /nfs/dbraw/zinc/88/34/46/570883446.db2.gz ONAVRKGGSVLPDD-UHFFFAOYSA-N 0 0 376.420 3.113 40 0 GGABRN Cc1cc(C)c(NC(=O)CN(C)C[C@@H](O)COCc2cccs2)c(C)c1 ZINC000096996262 570885138 /nfs/dbraw/zinc/88/51/38/570885138.db2.gz PXXALOIXGGEYPD-QGZVFWFLSA-N 0 0 376.522 3.121 40 0 GGABRN Cc1cc(C(=O)N[C@H](C)c2ccn(C)n2)c2cnn(-c3ccccc3F)c2n1 ZINC000036616246 570887610 /nfs/dbraw/zinc/88/76/10/570887610.db2.gz PZFXGFOVRGRARG-CYBMUJFWSA-N 0 0 378.411 3.093 40 0 GGABRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N[C@H](C)Cn3cccn3)c12 ZINC000036616568 570888023 /nfs/dbraw/zinc/88/80/23/570888023.db2.gz ZTSYBAWFDLNHSL-GFCCVEGCSA-N 0 0 380.477 3.020 40 0 GGABRN C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(CC2=C4C[C@@H](CC2)C4(C)C)C3)C[C@H](C)O1 ZINC000257204126 570888077 /nfs/dbraw/zinc/88/80/77/570888077.db2.gz ATDHLXQROIJYSZ-YQQAZPJKSA-N 0 0 398.551 3.290 40 0 GGABRN CCOc1ccc(CC(=O)NC[C@H]2CC[C@H](c3[nH]nc4nccnc43)CC2)cc1 ZINC000257207372 570888152 /nfs/dbraw/zinc/88/81/52/570888152.db2.gz BHMBHIHUBUNNSS-QAQDUYKDSA-N 0 0 393.491 3.384 40 0 GGABRN Cc1noc(C)c1CC(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccccn3)o2)CC1 ZINC000257207594 570888182 /nfs/dbraw/zinc/88/81/82/570888182.db2.gz BIKXHWOPBCKQHD-WKILWMFISA-N 0 0 395.463 3.369 40 0 GGABRN CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cnn(C(C)C)c2)CC1 ZINC000257218301 570889402 /nfs/dbraw/zinc/88/94/02/570889402.db2.gz DCOQGGGGPVEGHF-WFXMLNOXSA-N 0 0 397.523 3.273 40 0 GGABRN CC(C)(C)c1cc(NC(=O)/C=C/c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000022406863 570889473 /nfs/dbraw/zinc/88/94/73/570889473.db2.gz ICVKLWQSCXZPLL-KTRBRXNASA-N 0 0 393.534 3.254 40 0 GGABRN Nc1nc(C2CCN(C(=O)[C@@H]3CC34CCC4)CC2)ccc1C(=O)NC1CCCC1 ZINC000019765811 570890026 /nfs/dbraw/zinc/89/00/26/570890026.db2.gz QIPHFUXLBWBZAH-SFHVURJKSA-N 0 0 396.535 3.232 40 0 GGABRN Cc1cnccc1-c1c[nH]nc1[C@H]1CC[C@H](CNC(=O)c2cnccn2)CC1 ZINC000257225748 570891105 /nfs/dbraw/zinc/89/11/05/570891105.db2.gz FHOVAVMFZCMYBE-WKILWMFISA-N 0 0 376.464 3.274 40 0 GGABRN Cc1ccc(OCCCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000014400845 570891887 /nfs/dbraw/zinc/89/18/87/570891887.db2.gz WJXPZMZLWRMQQO-UHFFFAOYSA-N 0 0 396.487 3.227 40 0 GGABRN CCCn1nc(C)cc1NC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn21 ZINC000036619438 570893177 /nfs/dbraw/zinc/89/31/77/570893177.db2.gz FJIKOMCRTZGUCH-UHFFFAOYSA-N 0 0 379.399 3.098 40 0 GGABRN CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)c2cc(C(C)C)n[nH]2)c2ccccn2)CC1 ZINC000257249103 570894149 /nfs/dbraw/zinc/89/41/49/570894149.db2.gz JGVNHNIBUCJIBD-FIKGOQFSSA-N 0 0 397.523 3.342 40 0 GGABRN CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)c2cc(C(C)C)n[nH]2)c2ccccn2)CC1 ZINC000257249102 570894166 /nfs/dbraw/zinc/89/41/66/570894166.db2.gz JGVNHNIBUCJIBD-CBGDNZLLSA-N 0 0 397.523 3.342 40 0 GGABRN CO[C@H]1CC[C@H](C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4cnccn4)ncc32)CC1 ZINC000257255714 570895036 /nfs/dbraw/zinc/89/50/36/570895036.db2.gz KIOYVPYXQUJXJM-IIDMSEBBSA-N 0 0 395.507 3.269 40 0 GGABRN CCOc1ccc2nc(NC(=O)CN3CCN(c4ccccc4)CC3)sc2c1 ZINC000014753844 570896392 /nfs/dbraw/zinc/89/63/92/570896392.db2.gz OGMHFTCMRNSRJY-UHFFFAOYSA-N 0 0 396.516 3.456 40 0 GGABRN CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C ZINC000004080954 570896367 /nfs/dbraw/zinc/89/63/67/570896367.db2.gz AAPZMQVULRVUEU-HQTBXJMJSA-N 0 0 398.499 3.324 40 0 biogenic GGABRN COCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000014796118 570897449 /nfs/dbraw/zinc/89/74/49/570897449.db2.gz ZXIQOKVVVWQQIH-ZDUSSCGKSA-N 0 0 376.840 3.122 40 0 GGABRN O=C(NC1CCCCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000014795640 570897549 /nfs/dbraw/zinc/89/75/49/570897549.db2.gz KSEFKBMAPAKQKG-MRXNPFEDSA-N 0 0 396.528 3.456 40 0 GGABRN COCCCNC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1 ZINC000014795973 570897577 /nfs/dbraw/zinc/89/75/77/570897577.db2.gz DCWWANXMLBZWEW-UHFFFAOYSA-N 0 0 376.840 3.124 40 0 GGABRN O=C(CCc1c[nH]c2ccccc12)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000022465338 570897853 /nfs/dbraw/zinc/89/78/53/570897853.db2.gz DNKUYVFYBGYMJC-IBGZPJMESA-N 0 0 383.517 3.352 40 0 GGABRN CCCCC[C@@](C)(O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC=C=CCCC(=O)OC ZINC000299888360 570898658 /nfs/dbraw/zinc/89/86/58/570898658.db2.gz GNIYHUSSKSFYBD-PAQHEFLMSA-N 0 0 380.525 3.286 40 0 GGABRN COc1cc(CNC(=O)CCN2CCSC2=O)ccc1OCCC(C)C ZINC000046724385 570898705 /nfs/dbraw/zinc/89/87/05/570898705.db2.gz BFBGJUJTLWMTLR-UHFFFAOYSA-N 0 0 380.510 3.295 40 0 GGABRN CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)C[C@H]3CCCCO3)CC2)nn1C ZINC000257276870 570900641 /nfs/dbraw/zinc/90/06/41/570900641.db2.gz NVLPHAYXPBTRJJ-QWFCFKBJSA-N 0 0 390.572 3.173 40 0 GGABRN COc1ccc2oc(C(=O)OCC(=O)NCc3ccccc3OC)c(C)c2c1 ZINC000023074466 570901754 /nfs/dbraw/zinc/90/17/54/570901754.db2.gz CRYCPJOEPBZGDD-UHFFFAOYSA-N 0 0 383.400 3.232 40 0 GGABRN Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CC=CCC3)CC2)n1 ZINC000257280722 570902590 /nfs/dbraw/zinc/90/25/90/570902590.db2.gz OMBNBJUSHSFRIS-KZNAEPCWSA-N 0 0 384.524 3.233 40 0 GGABRN COc1ccc2oc(C(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)c(C)c2c1 ZINC000023080193 570902652 /nfs/dbraw/zinc/90/26/52/570902652.db2.gz UNTQSMCNBDYCER-CQSZACIVSA-N 0 0 379.478 3.035 40 0 GGABRN CC(=O)N(C)Cc1cc([C@H]2CC[C@H](CN(C)c3nc(C)cc(C)n3)CC2)nn1C ZINC000257294585 570903908 /nfs/dbraw/zinc/90/39/08/570903908.db2.gz QUTKNALMCOYNAO-WGSAOQKQSA-N 0 0 398.555 3.215 40 0 GGABRN CC(C)(C)C(=O)NC[C@H]1CC[C@H](C(=O)NCCN2CCc3ccccc32)CC1 ZINC000257298706 570904074 /nfs/dbraw/zinc/90/40/74/570904074.db2.gz RMYSBSBVONMKQU-UAPYVXQJSA-N 0 0 385.552 3.134 40 0 GGABRN C[C@@]12CC[C@@H](C[C@H]1C(=O)Nc1nccs1)[C@@]1(C2)Nc2ccccc2C(=O)N1 ZINC000257303017 570904906 /nfs/dbraw/zinc/90/49/06/570904906.db2.gz SFLARUPFPGYPPY-DRVXKRDMSA-N 0 0 382.489 3.460 40 0 GGABRN CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H](Cc1ccccc1)C(=O)[O-])Cc1ccccc1 ZINC000006882738 570905994 /nfs/dbraw/zinc/90/59/94/570905994.db2.gz BVSUKFSKSHVDST-VQTJNVASSA-N 0 0 398.503 3.408 40 0 GGABRN C[C@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O ZINC000015453067 570906266 /nfs/dbraw/zinc/90/62/66/570906266.db2.gz OLUBLGKZPFGNKW-CVEARBPZSA-N 0 0 386.517 3.148 40 0 GGABRN CCN(C(=O)Cn1cnc2ccc(F)cc2c1=O)C12CC3CC(CC(C3)C1)C2 ZINC000023112617 570907260 /nfs/dbraw/zinc/90/72/60/570907260.db2.gz YVXZBDNLMLFZIX-UHFFFAOYSA-N 0 0 383.467 3.353 40 0 GGABRN CCS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000023113726 570907762 /nfs/dbraw/zinc/90/77/62/570907762.db2.gz MOTWSOSKQDUPJM-UHFFFAOYSA-N 0 0 396.509 3.066 40 0 GGABRN COc1ccc(Cl)cc1C(=O)NC[C@H]1CC[C@H](c2ccnc3ncnn32)CC1 ZINC000257328490 570908267 /nfs/dbraw/zinc/90/82/67/570908267.db2.gz XFVHVKKWIVXBQJ-HDJSIYSDSA-N 0 0 399.882 3.490 40 0 GGABRN Cc1ccc(NC(=O)COC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)cc1F ZINC000032910105 570912926 /nfs/dbraw/zinc/91/29/26/570912926.db2.gz QAQYPUYTNUREAO-LJQANCHMSA-N 0 0 386.423 3.070 40 0 GGABRN CC(=O)Nc1ccc2nc(NC(=S)NC(=O)C=Cc3ccco3)sc2c1 ZINC000016321449 570912943 /nfs/dbraw/zinc/91/29/43/570912943.db2.gz MPGDQHLGCAVZBH-FNORWQNLSA-N 0 0 386.458 3.374 40 0 GGABRN CCCCc1ccc(NC(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1 ZINC000032910767 570914276 /nfs/dbraw/zinc/91/42/76/570914276.db2.gz RMMAUJIJMHLBQX-LJQANCHMSA-N 0 0 379.460 3.131 40 0 GGABRN COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1 ZINC000257367420 570915255 /nfs/dbraw/zinc/91/52/55/570915255.db2.gz PJIXSJRHGSCDOK-GNDPMSABSA-N 0 0 384.520 3.341 40 0 GGABRN CCOC(=O)[C@@H](C)Sc1nnc(N2CCN(c3ccc(F)cc3)CC2)s1 ZINC000023139878 570917092 /nfs/dbraw/zinc/91/70/92/570917092.db2.gz JFYPDJUWRNXTFM-GFCCVEGCSA-N 0 0 396.513 3.048 40 0 GGABRN CC(C)CC(=O)NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000017077968 570917200 /nfs/dbraw/zinc/91/72/00/570917200.db2.gz DQOMWPJMNVBTSX-UHFFFAOYSA-N 0 0 381.457 3.346 40 0 GGABRN CCCCC(=O)NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000017077966 570917296 /nfs/dbraw/zinc/91/72/96/570917296.db2.gz PWHLOHNJZCYZSW-UHFFFAOYSA-N 0 0 381.457 3.490 40 0 GGABRN COc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3ccc(C)cc3)no2)cc1 ZINC000032912228 570917751 /nfs/dbraw/zinc/91/77/51/570917751.db2.gz MBJMHENPBQYRPL-UHFFFAOYSA-N 0 0 379.416 3.369 40 0 GGABRN CC(C)N(CC1CC1)C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000032912887 570918502 /nfs/dbraw/zinc/91/85/02/570918502.db2.gz KGCUWGKEJPDCLX-UHFFFAOYSA-N 0 0 378.538 3.368 40 0 GGABRN O=C(CSc1nnc(-c2ccncc2)n1-n1cccc1)Nc1ccccc1F ZINC000004586031 570919199 /nfs/dbraw/zinc/91/91/99/570919199.db2.gz NLCJQLOQWAHASX-UHFFFAOYSA-N 0 0 394.435 3.323 40 0 GGABRN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)cc1 ZINC000017356426 570919270 /nfs/dbraw/zinc/91/92/70/570919270.db2.gz ALWCTOWUKBAKRF-UHFFFAOYSA-N 0 0 388.489 3.431 40 0 GGABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C)cc(C)c2)cc1Cl ZINC000016269187 570920096 /nfs/dbraw/zinc/92/00/96/570920096.db2.gz QPUHFBYDUQVXSG-UHFFFAOYSA-N 0 0 396.896 3.225 40 0 GGABRN CCS(=O)(=O)N1c2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)cc2C[C@H]1C ZINC000260575768 570920218 /nfs/dbraw/zinc/92/02/18/570920218.db2.gz XYQPIPHYYJLXMC-ZIAGYGMSSA-N 0 0 390.480 3.417 40 0 GGABRN Cc1ccc(C)n1-n1c(CN2CCC[C@H](C)C2)nnc1CN1CCC[C@H](C)C1 ZINC000260574413 570920275 /nfs/dbraw/zinc/92/02/75/570920275.db2.gz YAKXJULGGVPWMB-ROUUACIJSA-N 0 0 384.572 3.472 40 0 GGABRN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1 ZINC000016293055 570921584 /nfs/dbraw/zinc/92/15/84/570921584.db2.gz MAEZVERLIPJESF-UHFFFAOYSA-N 0 0 388.489 3.233 40 0 GGABRN Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](CC(=O)NCc3cccs3)C2)c1 ZINC000585095667 570922242 /nfs/dbraw/zinc/92/22/42/570922242.db2.gz AMTUBTPOSFSLPL-SFHVURJKSA-N 0 0 394.500 3.157 40 0 GGABRN Cc1cccc(C(=O)N2CCn3cc(CC(=O)NC4CCCC4)nc3[C@H]2C)c1 ZINC000585097274 570922300 /nfs/dbraw/zinc/92/23/00/570922300.db2.gz HOONQSXDVNLVKS-MRXNPFEDSA-N 0 0 380.492 3.010 40 0 GGABRN O=C([C@H]1CCCO1)N1CCC[C@]2(CCCN2c2ncnc3ccccc32)CC1 ZINC000585100541 570924856 /nfs/dbraw/zinc/92/48/56/570924856.db2.gz MZDSOHGRDWBTRE-KNQAVFIVSA-N 0 0 380.492 3.160 40 0 GGABRN COCCCNC(=O)c1cc2c(n(-c3ccc(C)cc3)c1=O)CC(C)(C)CC2=O ZINC000004476448 570925445 /nfs/dbraw/zinc/92/54/45/570925445.db2.gz HFMBMCSMRUOVJO-UHFFFAOYSA-N 0 0 396.487 3.067 40 0 GGABRN COc1ccccc1-c1ccccc1C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)CCNC1=O ZINC000019463477 570926243 /nfs/dbraw/zinc/92/62/43/570926243.db2.gz ALZOSNIEFDEZML-CDXJDZJCSA-N 0 0 392.499 3.135 40 0 GGABRN COc1ccc(-c2ccccc2C[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C)CCNC2=O)cc1 ZINC000019463469 570926326 /nfs/dbraw/zinc/92/63/26/570926326.db2.gz AQZARBXKKCCZEK-NBCNXNJRSA-N 0 0 392.499 3.135 40 0 GGABRN Cc1ccccc1OCC(=O)N1CCC[C@@]12CCCN(c1cnccn1)CC2 ZINC000585100001 570926380 /nfs/dbraw/zinc/92/63/80/570926380.db2.gz CFULGUMPZSNBRQ-JOCHJYFZSA-N 0 0 380.492 3.216 40 0 GGABRN CCOC(=O)COc1ccc([C@@H](C)NC(=O)c2cccc(F)c2)cc1OC ZINC000032916080 570927334 /nfs/dbraw/zinc/92/73/34/570927334.db2.gz LBVQXAUCTYDHRD-CYBMUJFWSA-N 0 0 375.396 3.267 40 0 GGABRN CCc1coc(C(=O)N2C[C@@H]3CC[C@]4(Nc5ccc(C)cc5C(=O)N4)[C@@H]3C2)c1C ZINC000019523113 570928334 /nfs/dbraw/zinc/92/83/34/570928334.db2.gz HTAFMZOAWHWYKH-PRCFCKQXSA-N 0 0 393.487 3.493 40 0 GGABRN CCc1coc(C(=O)N2C[C@@H]3CC[C@@]4(Nc5ccc(C)cc5C(=O)N4)[C@@H]3C2)c1C ZINC000019523115 570928381 /nfs/dbraw/zinc/92/83/81/570928381.db2.gz HTAFMZOAWHWYKH-XAEMIUIASA-N 0 0 393.487 3.493 40 0 GGABRN CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C)c(F)c2)c1=O ZINC000044840258 570929059 /nfs/dbraw/zinc/92/90/59/570929059.db2.gz UZXZSJXWUBJFLF-CQSZACIVSA-N 0 0 383.423 3.220 40 0 GGABRN COc1ccc(OC)c(C(=O)N2CCC[C@]3(CCN3Cc3c(C)noc3C)C2)c1 ZINC000585102373 570930491 /nfs/dbraw/zinc/93/04/91/570930491.db2.gz YLEUEBNMHSOUBE-QFIPXVFZSA-N 0 0 399.491 3.189 40 0 GGABRN Cc1ccccc1C(=O)N1CCC2(CCOC[C@@H]2COc2cnccn2)CC1 ZINC000585102758 570930951 /nfs/dbraw/zinc/93/09/51/570930951.db2.gz DUNURSBSDHNNHK-GOSISDBHSA-N 0 0 381.476 3.123 40 0 GGABRN Cc1cc(F)ccc1C(=O)N1CC2(C1)C[C@@H](OCC1CCOCC1)CS2 ZINC000585103551 570932157 /nfs/dbraw/zinc/93/21/57/570932157.db2.gz BOJLIBCGVLJOAN-QGZVFWFLSA-N 0 0 379.497 3.277 40 0 GGABRN CN(C)C(=O)N1Cc2ccccc2C2(CCN(C(=O)c3ccccc3)CC2)C1 ZINC000585105746 570932515 /nfs/dbraw/zinc/93/25/15/570932515.db2.gz ZXTRRODNUNDJLU-UHFFFAOYSA-N 0 0 377.488 3.358 40 0 GGABRN CN(C)C(=O)N1Cc2ccccc2C2(CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC000585105718 570932543 /nfs/dbraw/zinc/93/25/43/570932543.db2.gz AUANUIHGEVEOLK-UHFFFAOYSA-N 0 0 391.515 3.287 40 0 GGABRN O=C1N(Cc2cccnc2)Cc2ccccc2CC12CCN(c1ncccn1)CC2 ZINC000585105775 570932614 /nfs/dbraw/zinc/93/26/14/570932614.db2.gz KTGXMOWHROGMOZ-UHFFFAOYSA-N 0 0 399.498 3.243 40 0 GGABRN CCOc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000019947230 570933103 /nfs/dbraw/zinc/93/31/03/570933103.db2.gz SPBUUOAGWLWSTN-UHFFFAOYSA-N 0 0 376.478 3.107 40 0 GGABRN CCCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)[C@H]1CCCO1)C2 ZINC000585107140 570934575 /nfs/dbraw/zinc/93/45/75/570934575.db2.gz PWTSOQYUCMQBKF-GCJKJVERSA-N 0 0 380.492 3.099 40 0 GGABRN O=C(N[C@@H]1CCC1(F)F)[C@@H]1CCC[C@]12CCN(C(=O)c1cccc(F)c1)C2 ZINC000585107260 570934595 /nfs/dbraw/zinc/93/45/95/570934595.db2.gz IFLWNURSMHNLNH-FRQCXROJSA-N 0 0 380.410 3.372 40 0 GGABRN CCOCC(=O)N1CC[C@@]2(C1)c1cccn1-c1ncccc1N2CCC(C)C ZINC000585107485 570935003 /nfs/dbraw/zinc/93/50/03/570935003.db2.gz XKAUQYGYUTVOGM-JOCHJYFZSA-N 0 0 382.508 3.203 40 0 GGABRN O=C(Cc1ccccc1)N1CC[C@@]2(CCC[C@H]2C(=O)N[C@@H]2CCC2(F)F)C1 ZINC000585107360 570935048 /nfs/dbraw/zinc/93/50/48/570935048.db2.gz SOHIHKCVQWSXRY-QKLQHJQFSA-N 0 0 376.447 3.162 40 0 GGABRN CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1ccc(C)c(O)c1)C2 ZINC000585107504 570935418 /nfs/dbraw/zinc/93/54/18/570935418.db2.gz YLJIMMQHYRDCLF-QHCPKHFHSA-N 0 0 388.471 3.468 40 0 GGABRN C[NH+]1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])CC1 ZINC000226771922 570936094 /nfs/dbraw/zinc/93/60/94/570936094.db2.gz IWTRMZVRBNCQQR-UHFFFAOYSA-N 0 0 380.444 3.074 40 0 GGABRN CN(C)c1cccc(C(=O)N2C[C@@H]3c4ncc(-c5ccncc5)n4CC[C@@H]3C2)c1 ZINC000306124871 570936167 /nfs/dbraw/zinc/93/61/67/570936167.db2.gz CBDPQWBLXMVURZ-QUCCMNQESA-N 0 0 387.487 3.271 40 0 GGABRN O=C(Cc1ccsc1)N1CCC[C@@H](c2nc3ccc(N4CCCC4)cn3n2)C1 ZINC000306124697 570936195 /nfs/dbraw/zinc/93/61/95/570936195.db2.gz BWXDYQFMYVELDQ-QGZVFWFLSA-N 0 0 395.532 3.340 40 0 GGABRN CN(C)c1cccc(C(=O)N2C[C@@H]3CCn4c(-c5ccncc5)cnc4[C@H]3C2)c1 ZINC000306124870 570936296 /nfs/dbraw/zinc/93/62/96/570936296.db2.gz CBDPQWBLXMVURZ-ICSRJNTNSA-N 0 0 387.487 3.271 40 0 GGABRN Cc1cncc(C(=O)N2Cc3cn(Cc4cccnc4)nc3-c3ccn(C)c3C2)c1 ZINC000306125277 570936348 /nfs/dbraw/zinc/93/63/48/570936348.db2.gz CLEKTLXBLOLWQM-UHFFFAOYSA-N 0 0 398.470 3.191 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GGABRN CCNC(=O)[C@@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)COC)C1 ZINC000019528886 570998254 /nfs/dbraw/zinc/99/82/54/570998254.db2.gz XPMNWUZVWFHZSJ-HSZRJFAPSA-N 0 0 398.478 3.036 40 0 GGABRN CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)C(C)C)C1 ZINC000019528349 570998268 /nfs/dbraw/zinc/99/82/68/570998268.db2.gz OXHAWKKITHTZIY-QFIPXVFZSA-N 0 0 383.492 3.285 40 0 GGABRN CCN1c2ncccc2N(CC(=O)N2c3ccccc3C[C@@H]2C)C(=O)N1CC ZINC000019528332 570998302 /nfs/dbraw/zinc/99/83/02/570998302.db2.gz JMPHISSLVUDKHG-HNNXBMFYSA-N 0 0 379.464 3.063 40 0 GGABRN CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)C2CC2)C1 ZINC000019528386 570998381 /nfs/dbraw/zinc/99/83/81/570998381.db2.gz WADYNOWSFUKJOU-XMMPIXPASA-N 0 0 391.515 3.446 40 0 GGABRN CCOCCCNC(=O)CSc1nnc2c3cc(C(C)C)ccc3[nH]c2n1 ZINC000004861456 570998673 /nfs/dbraw/zinc/99/86/73/570998673.db2.gz BCPBLAUVRGYLHH-UHFFFAOYSA-N 0 0 387.509 3.264 40 0 GGABRN CCOc1cc(CCC(=O)N2CCC[C@H](c3nc(C)n4ccsc34)C2)on1 ZINC000019532332 570999033 /nfs/dbraw/zinc/99/90/33/570999033.db2.gz JBPADNPWSLNPTI-AWEZNQCLSA-N 0 0 388.493 3.430 40 0 GGABRN CCOc1cc(CCC(=O)N2CCCC[C@H]2c2ccnc3cc(C)nn32)on1 ZINC000019532352 570999047 /nfs/dbraw/zinc/99/90/47/570999047.db2.gz MYBYGYWDZYMUBX-INIZCTEOSA-N 0 0 383.452 3.111 40 0 GGABRN CCOc1ccc(CC(=O)N2CCC(c3nnc4n3CCCCC4)CC2)cc1 ZINC000019532831 570999164 /nfs/dbraw/zinc/99/91/64/570999164.db2.gz AMMPLDFCFQESJZ-UHFFFAOYSA-N 0 0 382.508 3.352 40 0 GGABRN CCOc1ccc(NC(=O)[C@H](C)n2nc(-c3cccs3)cc(N)c2=O)cc1 ZINC000019533526 570999776 /nfs/dbraw/zinc/99/97/76/570999776.db2.gz JZKBNJADVZDVMY-LBPRGKRZSA-N 0 0 384.461 3.152 40 0 GGABRN COc1ccccc1CC(=O)N1CCCC[C@@H]1c1nc(C)cc(-c2ncc[nH]2)n1 ZINC000585182433 571000136 /nfs/dbraw/zinc/00/01/36/571000136.db2.gz SWQNQHSNPULFER-GOSISDBHSA-N 0 0 391.475 3.480 40 0 GGABRN COc1ccc(OC)c(C(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccncc2)c1 ZINC000019551048 571000779 /nfs/dbraw/zinc/00/07/79/571000779.db2.gz XSFLLJVVWKHIEY-GOSISDBHSA-N 0 0 378.432 3.466 40 0 GGABRN COC(=O)CNC(=O)c1ccc(NC(=O)N[C@H](C)c2cccc(Cl)c2)cc1 ZINC000043849275 571001205 /nfs/dbraw/zinc/00/12/05/571001205.db2.gz JOCDKQCZJWTJNL-GFCCVEGCSA-N 0 0 389.839 3.126 40 0 GGABRN COc1ccc(OC)c(CNc2ncc(-c3cnccn3)c([C@@H]3CCCO3)n2)c1 ZINC000019551723 571001568 /nfs/dbraw/zinc/00/15/68/571001568.db2.gz QUVKSSULLXLYAM-IBGZPJMESA-N 0 0 393.447 3.414 40 0 GGABRN CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1cnn(C)c1C ZINC000019553366 571002003 /nfs/dbraw/zinc/00/20/03/571002003.db2.gz CKEDRLUXXGBSQT-CEMLEFRQSA-N 0 0 394.519 3.128 40 0 GGABRN O=C(C=Cc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)c1)N1CCCCC1 ZINC000004888414 571002271 /nfs/dbraw/zinc/00/22/71/571002271.db2.gz LNKSWMBHFPWVCY-NSGGTLOBSA-N 0 0 376.456 3.024 40 0 GGABRN COc1ccc(C2(C(=O)NCc3nc(-c4cccnc4)n[nH]3)CCCCC2)cc1 ZINC000019553816 571002438 /nfs/dbraw/zinc/00/24/38/571002438.db2.gz CJUQYLASWYKEAS-UHFFFAOYSA-N 0 0 391.475 3.394 40 0 GGABRN COc1ccc(Cc2cnc(NC(=O)COc3ccc4c(c3)OCO4)s2)cc1 ZINC000019555945 571002958 /nfs/dbraw/zinc/00/29/58/571002958.db2.gz BDKQZQJLGLTFKK-UHFFFAOYSA-N 0 0 398.440 3.489 40 0 GGABRN COc1ccc([C@H]2N(C(=O)c3cc(C4CC4)on3)CCC[C@]23CCC(=O)N3)cc1 ZINC000019557392 571003893 /nfs/dbraw/zinc/00/38/93/571003893.db2.gz DJJVXKPDFJMFOI-IRLDBZIGSA-N 0 0 395.459 3.187 40 0 GGABRN Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)c2cccnc2)c1C ZINC000019558528 571004422 /nfs/dbraw/zinc/00/44/22/571004422.db2.gz QBPAPBKZFOPXIL-QGZVFWFLSA-N 0 0 392.463 3.187 40 0 GGABRN Cc1noc(-c2cnc(NCCCN3CCOCC3)nc2-c2ccco2)c1C ZINC000019558686 571004433 /nfs/dbraw/zinc/00/44/33/571004433.db2.gz OGKCNQLGAAIAOI-UHFFFAOYSA-N 0 0 383.452 3.143 40 0 GGABRN Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)c2ccncc2)c1C ZINC000019558530 571004462 /nfs/dbraw/zinc/00/44/62/571004462.db2.gz UVQWWVSGHMIVIN-KRWDZBQOSA-N 0 0 392.463 3.187 40 0 GGABRN COc1ccc(C(=O)N2CCO[C@@H](c3cc4ccccc4cn3)C2)cc1OC ZINC000019559878 571004925 /nfs/dbraw/zinc/00/49/25/571004925.db2.gz XJYJCZOXHCVRPZ-OAQYLSRUSA-N 0 0 378.428 3.466 40 0 GGABRN Cc1ncsc1-c1cc(CN2CCC(NC(=O)CC(C)(C)C)CC2)n(C)n1 ZINC000019562450 571005814 /nfs/dbraw/zinc/00/58/14/571005814.db2.gz NSDUILQQOQRGNL-UHFFFAOYSA-N 0 0 389.569 3.369 40 0 GGABRN Cc1ncsc1-c1cc(CN2CCC(NC(=O)C3CCCC3)CC2)n(C)n1 ZINC000019562435 571006086 /nfs/dbraw/zinc/00/60/86/571006086.db2.gz RPYNBOCIRYUJNG-UHFFFAOYSA-N 0 0 387.553 3.123 40 0 GGABRN Cc1c(NC(=O)c2cccc(NC(=O)C3CC3)c2)c(=O)n(-c2ccccc2)n1C ZINC000012752683 571006146 /nfs/dbraw/zinc/00/61/46/571006146.db2.gz PEVUWEKVPDWJOA-UHFFFAOYSA-N 0 0 390.443 3.085 40 0 GGABRN Cc1ncsc1-c1cc(CN2CCC(NC(=O)C[C@H]3C=CCC3)CC2)n(C)n1 ZINC000019562456 571006407 /nfs/dbraw/zinc/00/64/07/571006407.db2.gz YDRQWQMDJXPYER-INIZCTEOSA-N 0 0 399.564 3.289 40 0 GGABRN COc1ccc2c(c1)C[C@@H](C1CCOCC1)N(C(=O)c1ccnc(OC)c1)C2 ZINC000019562496 571006467 /nfs/dbraw/zinc/00/64/67/571006467.db2.gz FYXAELROMISYRM-FQEVSTJZSA-N 0 0 382.460 3.093 40 0 GGABRN Cc1noc2nc([C@@H]3CCCN(C(=O)Cn4ccnc4)C3)cc(C(F)(F)F)c12 ZINC000019563982 571006528 /nfs/dbraw/zinc/00/65/28/571006528.db2.gz LMWWTFJOWXONJK-GFCCVEGCSA-N 0 0 393.369 3.153 40 0 GGABRN Cc1noc2nc([C@H]3CCCN(C(=O)c4ccnn4C)C3)cc(C(F)(F)F)c12 ZINC000019564203 571006898 /nfs/dbraw/zinc/00/68/98/571006898.db2.gz GMJIHQJJEOMHPE-NSHDSACASA-N 0 0 393.369 3.303 40 0 GGABRN COc1cccc(CC(=O)NCCn2ncc(-c3ccccn3)c2C2CC2)c1 ZINC000019564495 571006936 /nfs/dbraw/zinc/00/69/36/571006936.db2.gz FTNMWBQPIAJJDH-UHFFFAOYSA-N 0 0 376.460 3.190 40 0 GGABRN Cc1noc2nc([C@H]3CCCN(C(=O)c4cc[nH]n4)C3)cc(C(F)(F)F)c12 ZINC000019564106 571006940 /nfs/dbraw/zinc/00/69/40/571006940.db2.gz AQBSTWBUASZECG-JTQLQIEISA-N 0 0 379.342 3.293 40 0 GGABRN COc1cccc(C(=O)N2CCO[C@@H](c3cc4ccccc4cn3)C2)c1OC ZINC000019567365 571008550 /nfs/dbraw/zinc/00/85/50/571008550.db2.gz CFSJJCFXSPYCGO-HXUWFJFHSA-N 0 0 378.428 3.466 40 0 GGABRN COc1cc(C)c(NC(=O)Cn2nc(OC)c3ccccc3c2=O)cc1C(C)C ZINC000019567179 571008850 /nfs/dbraw/zinc/00/88/50/571008850.db2.gz OHFUYAPRAKHRPC-UHFFFAOYSA-N 0 0 395.459 3.484 40 0 GGABRN Cc1cc(C)cc(C2(CNC(=O)c3c4c(nn3C)CCCC4)CCOCC2)c1 ZINC000019569562 571009253 /nfs/dbraw/zinc/00/92/53/571009253.db2.gz MAQDQGHTFJFAGS-UHFFFAOYSA-N 0 0 381.520 3.394 40 0 GGABRN Cc1cc(C)cc(O[C@H](C)C(=O)N2CCc3nc([C@H]4CCCN4C)ncc3C2)c1 ZINC000019569740 571009660 /nfs/dbraw/zinc/00/96/60/571009660.db2.gz VFGJUVDMAFNVAP-DYESRHJHSA-N 0 0 394.519 3.212 40 0 GGABRN COc1ccccc1N1C[C@@H](c2cc(=O)[nH]c(NCC3CCCCC3)n2)CC1=O ZINC000019571079 571009750 /nfs/dbraw/zinc/00/97/50/571009750.db2.gz LPKJKNOJZKKHHT-INIZCTEOSA-N 0 0 396.491 3.291 40 0 GGABRN Cc1cc(C)n(CC(=O)NCc2cnc(C)nc2-c2cn(C)c3ccccc23)n1 ZINC000019573505 571010799 /nfs/dbraw/zinc/01/07/99/571010799.db2.gz UXALHCLOLUBIDG-UHFFFAOYSA-N 0 0 388.475 3.073 40 0 GGABRN COc1ccc(-c2cc3nc([C@H](C)NC(=O)C[C@H]4C=CCC4)nn3cn2)cc1 ZINC000019574400 571011017 /nfs/dbraw/zinc/01/10/17/571011017.db2.gz JFFMLOFVCBYKGG-GJZGRUSLSA-N 0 0 377.448 3.333 40 0 GGABRN C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)C[C@@H]3CCCO3)cc2N1 ZINC000019574700 571011204 /nfs/dbraw/zinc/01/12/04/571011204.db2.gz WMNAAPLSNAPFLM-AYRXBEOTSA-N 0 0 386.418 3.423 40 0 GGABRN Cc1cc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)n(Cc2ccncc2)n1 ZINC000019574606 571011223 /nfs/dbraw/zinc/01/12/23/571011223.db2.gz WIYQLHUKAPEVSU-UHFFFAOYSA-N 0 0 385.427 3.242 40 0 GGABRN Cc1cc(C)n(CCCC(=O)N2CCC(c3cc4ncc(C)nc4[nH]3)CC2)n1 ZINC000019573998 571011297 /nfs/dbraw/zinc/01/12/97/571011297.db2.gz DNZWAULATJHOHR-UHFFFAOYSA-N 0 0 380.496 3.266 40 0 GGABRN CCn1ccnc1CN1Cc2ccccc2OC2(CCC(N(C)C(C)=O)CC2)C1 ZINC000019578157 571012226 /nfs/dbraw/zinc/01/22/26/571012226.db2.gz VXJQDTZVQOAMNQ-UHFFFAOYSA-N 0 0 396.535 3.457 40 0 GGABRN Cc1nn(C)c(C)c1-c1ccc(=O)n([C@H](C)C(=O)NC2CCCCCCC2)n1 ZINC000019577861 571012345 /nfs/dbraw/zinc/01/23/45/571012345.db2.gz QRQFXJMLDCZKIE-MRXNPFEDSA-N 0 0 385.512 3.051 40 0 GGABRN CCCn1c(C)ccc(-c2noc(CCC(=O)Nc3ccc(C)cc3)n2)c1=O ZINC000046020466 571012476 /nfs/dbraw/zinc/01/24/76/571012476.db2.gz XCWWIQVCMSXRCO-UHFFFAOYSA-N 0 0 380.448 3.496 40 0 GGABRN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000019578571 571012564 /nfs/dbraw/zinc/01/25/64/571012564.db2.gz WVMCFUXXVIWLHX-UHFFFAOYSA-N 0 0 382.443 3.052 40 0 GGABRN CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)C2CC2)C1 ZINC000019578752 571012604 /nfs/dbraw/zinc/01/26/04/571012604.db2.gz FZQACZYZLHTSLT-XMMPIXPASA-N 0 0 391.515 3.398 40 0 GGABRN Cc1noc(C)c1CCNC(=O)c1cc(C2CCOCC2)c2cnccc2n1 ZINC000019580858 571012856 /nfs/dbraw/zinc/01/28/56/571012856.db2.gz JEYJTTIZDYJZOG-UHFFFAOYSA-N 0 0 380.448 3.101 40 0 GGABRN Cc1oc2c(c1C(=O)N1CCc3nc([C@H]4CCCN4C)ncc3C1)CCCC2 ZINC000019581281 571013186 /nfs/dbraw/zinc/01/31/86/571013186.db2.gz YFDRQGFZIXNQKH-GOSISDBHSA-N 0 0 380.492 3.222 40 0 GGABRN Cc1noc(C)c1C(=O)N[C@@H](Cc1cc(=O)[nH]c(C2CC2)n1)c1ccc(F)cc1 ZINC000019580190 571013263 /nfs/dbraw/zinc/01/32/63/571013263.db2.gz DKWQYEVHTORJBQ-KRWDZBQOSA-N 0 0 396.422 3.105 40 0 GGABRN COc1ccc2[nH]c(C)c(-c3csc(NC(=O)[C@H](C)Cn4cncn4)n3)c2c1 ZINC000019581502 571013495 /nfs/dbraw/zinc/01/34/95/571013495.db2.gz DTSYNVNNSAFDGB-LLVKDONJSA-N 0 0 396.476 3.475 40 0 GGABRN Cc1nn(C(F)F)cc1S(=O)(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000019583361 571014260 /nfs/dbraw/zinc/01/42/60/571014260.db2.gz KRTOBLPOGNFACZ-GFCCVEGCSA-N 0 0 395.435 3.031 40 0 GGABRN CN(C)c1cc([C@@H]2CCCN(C(=O)c3cccnc3)C2)nc(-c2cccnc2)n1 ZINC000019584410 571014668 /nfs/dbraw/zinc/01/46/68/571014668.db2.gz ZPJUYJCOTOBVKH-GOSISDBHSA-N 0 0 388.475 3.019 40 0 GGABRN CN(C)c1ncccc1CN1CCCC[C@H]1c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019584131 571014742 /nfs/dbraw/zinc/01/47/42/571014742.db2.gz AIJCYFLUZHOYRT-IBGZPJMESA-N 0 0 390.491 3.432 40 0 GGABRN COc1cccc(CN2CCc3nc([C@H]4CCCCN4C)ncc3C2)c1OC ZINC000019589030 571016290 /nfs/dbraw/zinc/01/62/90/571016290.db2.gz JVJBLDCKHVFIQX-LJQANCHMSA-N 0 0 382.508 3.209 40 0 GGABRN COc1cccc(CN2CCc3nc([C@@H]4CCCCN4C)ncc3C2)c1OC ZINC000019589028 571016341 /nfs/dbraw/zinc/01/63/41/571016341.db2.gz JVJBLDCKHVFIQX-IBGZPJMESA-N 0 0 382.508 3.209 40 0 GGABRN CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)C2CCC2)C1 ZINC000019591034 571018432 /nfs/dbraw/zinc/01/84/32/571018432.db2.gz KGZBITJSYXDFEM-XMMPIXPASA-N 0 0 391.515 3.446 40 0 GGABRN CNC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000019591406 571018720 /nfs/dbraw/zinc/01/87/20/571018720.db2.gz JMCURIRPIGTXGE-SIKLNZKXSA-N 0 0 398.528 3.101 40 0 GGABRN CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)C2CCC2)C1 ZINC000019591043 571018743 /nfs/dbraw/zinc/01/87/43/571018743.db2.gz SKXQQYWELGEXCX-DEOSSOPVSA-N 0 0 391.515 3.446 40 0 GGABRN CNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000019591407 571019303 /nfs/dbraw/zinc/01/93/03/571019303.db2.gz JMCURIRPIGTXGE-UGKGYDQZSA-N 0 0 398.528 3.101 40 0 GGABRN COCCOc1ccc(C(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccncc2)cc1 ZINC000019593658 571019828 /nfs/dbraw/zinc/01/98/28/571019828.db2.gz URKPNTHNOCROFD-FQEVSTJZSA-N 0 0 392.459 3.474 40 0 GGABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)NC[C@@H]4CCCO4)ccc32)c1 ZINC000046078661 571021335 /nfs/dbraw/zinc/02/13/35/571021335.db2.gz JGUDMDNRTZDMSM-FQEVSTJZSA-N 0 0 378.472 3.497 40 0 GGABRN Cc1ccccc1N1C[C@H](C(=O)Nc2nnc(CC3CCCCC3)[nH]2)CC1=O ZINC000019655403 571023274 /nfs/dbraw/zinc/02/32/74/571023274.db2.gz JJVULJBDYADVAJ-MRXNPFEDSA-N 0 0 381.480 3.228 40 0 GGABRN Cc1c2cc(Cl)ccc2n(C)c1C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000019656270 571023354 /nfs/dbraw/zinc/02/33/54/571023354.db2.gz AGMFAGWXFHWPIG-SFHVURJKSA-N 0 0 381.863 3.193 40 0 GGABRN O=C(CN1CCC[C@H]1Cn1cccn1)Nc1ncc(Cc2ccccc2)s1 ZINC000019657908 571024425 /nfs/dbraw/zinc/02/44/25/571024425.db2.gz WMMSSHRPCWQXRW-KRWDZBQOSA-N 0 0 381.505 3.034 40 0 GGABRN Cn1c2ccc(NC(=O)c3ccc(-n4cnnc4)cc3)cc2nc1C(F)(F)F ZINC000019659295 571024891 /nfs/dbraw/zinc/02/48/91/571024891.db2.gz GGDBKTFVHGLVKP-UHFFFAOYSA-N 0 0 386.337 3.425 40 0 GGABRN CC(C)[C@@H](CNC(=O)c1ccc2c(c1)nnn2C1CCCCC1)N1CCOCC1 ZINC000019659418 571025076 /nfs/dbraw/zinc/02/50/76/571025076.db2.gz OUUIXKAVWGFRIR-OAQYLSRUSA-N 0 0 399.539 3.023 40 0 GGABRN O=C(CN1CCC[C@H]1Cn1cccn1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000019659121 571025110 /nfs/dbraw/zinc/02/51/10/571025110.db2.gz HCAYZPICLMHHHA-INIZCTEOSA-N 0 0 385.468 3.249 40 0 GGABRN COc1ccc(-c2cc(C(=O)Nc3nc(-c4cnn(C)c4)cs3)n[nH]2)cc1 ZINC000019660057 571025291 /nfs/dbraw/zinc/02/52/91/571025291.db2.gz XHDBWLPBJWBDOW-UHFFFAOYSA-N 0 0 380.433 3.195 40 0 GGABRN Cc1ccc2c(cc(C(=O)Nc3ccc([C@H](O)Cn4cncn4)cc3)n2C)c1 ZINC000019661305 571025891 /nfs/dbraw/zinc/02/58/91/571025891.db2.gz CVXQEBICGWEDIV-HXUWFJFHSA-N 0 0 375.432 3.064 40 0 GGABRN Cc1ccc2c(n[nH]c2NC(=O)Cn2nc(C(F)(F)F)c3c2CCCCC3)n1 ZINC000019661985 571026271 /nfs/dbraw/zinc/02/62/71/571026271.db2.gz YRVDWNPFRINQFG-UHFFFAOYSA-N 0 0 392.385 3.389 40 0 GGABRN CCc1cc(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)c2c(C)noc2n1 ZINC000019663351 571026528 /nfs/dbraw/zinc/02/65/28/571026528.db2.gz CMKSYLKZDSSUKK-KRWDZBQOSA-N 0 0 380.448 3.310 40 0 GGABRN Cc1nn(C)c2nc(C)cc(C(=O)N[C@H](C)c3nc(-c4cccc(C)c4)no3)c12 ZINC000019662606 571026693 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0 GGABRN COc1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000003186569 1398328117 /nfs/dbraw/zinc/32/81/17/1398328117.db2.gz PIHCOUNEIQIOLH-MRXNPFEDSA-N 0 0 394.880 3.140 40 0 GGABRN O=C(NCc1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000003207925 1398328138 /nfs/dbraw/zinc/32/81/38/1398328138.db2.gz DOTDFAYRWPHYSE-UHFFFAOYSA-N 0 0 392.908 3.445 40 0 GGABRN CCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000003250042 1398329937 /nfs/dbraw/zinc/32/99/37/1398329937.db2.gz GGVLQOBBLOXHMY-GOSISDBHSA-N 0 0 380.444 3.241 40 0 GGABRN O=C(OCc1ccccc1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O ZINC000003269446 1398331134 /nfs/dbraw/zinc/33/11/34/1398331134.db2.gz LWRRGGNJPMZWRD-UHFFFAOYSA-N 0 0 397.452 3.228 40 0 GGABRN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1N ZINC000003272484 1398331371 /nfs/dbraw/zinc/33/13/71/1398331371.db2.gz XHYWDSJMJNOBHF-UHFFFAOYSA-N 0 0 383.477 3.097 40 0 GGABRN CCOc1ccc(C2=N/C(=C/c3ccc(OC(C)=O)c(OC)c3)C(=O)O2)cc1 ZINC000003283290 1398331850 /nfs/dbraw/zinc/33/18/50/1398331850.db2.gz LSPCLADCTKGXFM-GZTJUZNOSA-N 0 0 381.384 3.364 40 0 GGABRN C[C@H]1CCc2c(sc3[nH]c(COC(=O)c4ccc(C=O)cc4)nc(=O)c23)C1 ZINC000003315735 1398334637 /nfs/dbraw/zinc/33/46/37/1398334637.db2.gz ZVLIMBLIXVSXEA-NSHDSACASA-N 0 0 382.441 3.279 40 0 GGABRN Cc1cc(C)c(NC(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)c(C)c1 ZINC000003336804 1398336044 /nfs/dbraw/zinc/33/60/44/1398336044.db2.gz NKSCEUVJVAFJJW-GOSISDBHSA-N 0 0 379.460 3.104 40 0 GGABRN Cc1ccc(-c2cc(C(=O)OCC(=O)NC[C@H]3CCCO3)c3ccccc3n2)o1 ZINC000003455368 1398350009 /nfs/dbraw/zinc/35/00/09/1398350009.db2.gz LYDOAWPVZBRWQL-OAHLLOKOSA-N 0 0 394.427 3.255 40 0 GGABRN COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1S(=O)(=O)N1CCCC1 ZINC000003482699 1398354107 /nfs/dbraw/zinc/35/41/07/1398354107.db2.gz VHGWGLDPMFRIKZ-UHFFFAOYSA-N 0 0 388.489 3.349 40 0 GGABRN CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)cc1 ZINC000003482997 1398354251 /nfs/dbraw/zinc/35/42/51/1398354251.db2.gz OOQPWTHWHUCNAY-UHFFFAOYSA-N 0 0 376.478 3.368 40 0 GGABRN CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCOC)cc1 ZINC000003493618 1398355804 /nfs/dbraw/zinc/35/58/04/1398355804.db2.gz CBEPFQGLEHSQCZ-UHFFFAOYSA-N 0 0 397.500 3.336 40 0 GGABRN CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1 ZINC000003494201 1398356789 /nfs/dbraw/zinc/35/67/89/1398356789.db2.gz QWJJQNINZYNBBU-UHFFFAOYSA-N 0 0 397.412 3.399 40 0 GGABRN CCOc1ccccc1-n1nnnc1SCC(=O)c1ccc(F)c(F)c1 ZINC000003496812 1398357092 /nfs/dbraw/zinc/35/70/92/1398357092.db2.gz NRXRLFVKNISSHY-UHFFFAOYSA-N 0 0 376.388 3.314 40 0 GGABRN COCCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1 ZINC000003508438 1398360390 /nfs/dbraw/zinc/36/03/90/1398360390.db2.gz VQJJEKJPYDWDNK-UHFFFAOYSA-N 0 0 386.452 3.461 40 0 GGABRN NC(=O)NC(=O)COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 ZINC000003514664 1398362384 /nfs/dbraw/zinc/36/23/84/1398362384.db2.gz SRCHEENYCOUVRK-UHFFFAOYSA-N 0 0 395.387 3.097 40 0 GGABRN COc1ccc(C(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(OC)c1 ZINC000003522859 1398363344 /nfs/dbraw/zinc/36/33/44/1398363344.db2.gz WIRGJMYWZWEZLE-UHFFFAOYSA-N 0 0 394.210 3.490 40 0 GGABRN O=C(CSc1nnc(COc2ccccc2F)n1-c1ccccc1)NC1CC1 ZINC000003536088 1398365846 /nfs/dbraw/zinc/36/58/46/1398365846.db2.gz NLJDHQREDILVNF-UHFFFAOYSA-N 0 0 398.463 3.356 40 0 GGABRN COc1ccc(C)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000003567249 1398369816 /nfs/dbraw/zinc/36/98/16/1398369816.db2.gz MYKWYHAKEICCDI-UHFFFAOYSA-N 0 0 388.489 3.431 40 0 GGABRN COC(=O)c1ccc(COC(=O)[C@]23CCC(=O)N2c2ccccc2S3)cc1 ZINC000003601490 1398373185 /nfs/dbraw/zinc/37/31/85/1398373185.db2.gz LTXVTYITDIWMSV-HXUWFJFHSA-N 0 0 383.425 3.145 40 0 GGABRN O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccc(OC(F)F)cc1 ZINC000003841547 1398375772 /nfs/dbraw/zinc/37/57/72/1398375772.db2.gz YDOIPFAZTNRCAE-UHFFFAOYSA-N 0 0 377.372 3.255 40 0 GGABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H](O)[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000004083469 1398378590 /nfs/dbraw/zinc/37/85/90/1398378590.db2.gz RRDIUAREQABZFO-BAXYUFAZSA-N 0 0 392.536 3.252 40 0 biogenic GGABRN O=C1C[C@H](n2nc(-c3ccccc3)n(-c3ccccc3)c2=S)[C@@H]2CO[C@H]1O2 ZINC000004117358 1398380553 /nfs/dbraw/zinc/38/05/53/1398380553.db2.gz BGZJVJOLKCRHGM-IEZWGBDMSA-N 0 0 379.441 3.326 40 0 GGABRN CCn1c(SCC(=O)Nc2ccccc2OC)nc2c(c1=O)S[C@@H](C)C2 ZINC000004107961 1398381104 /nfs/dbraw/zinc/38/11/04/1398381104.db2.gz HTBJWQGEYQPYAI-NSHDSACASA-N 0 0 391.518 3.039 40 0 GGABRN COc1ccc(CNC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cn2N)cc1 ZINC000004251859 1398386446 /nfs/dbraw/zinc/38/64/46/1398386446.db2.gz PPORELJXNWTJEZ-CQSZACIVSA-N 0 0 382.489 3.070 40 0 GGABRN Cc1cc(C)c(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1C ZINC000004250058 1398386588 /nfs/dbraw/zinc/38/65/88/1398386588.db2.gz UUHYJFIJENTUER-UHFFFAOYSA-N 0 0 378.428 3.207 40 0 GGABRN CC(=O)Nc1cccc(NC(=O)CN2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000004315121 1398391750 /nfs/dbraw/zinc/39/17/50/1398391750.db2.gz PNICKOYBSSHDFI-UHFFFAOYSA-N 0 0 391.475 3.339 40 0 GGABRN c1ccc2c(c1)OCCOCCOCCOCCOCCOc1ccccc1-2 ZINC000004310034 1398391874 /nfs/dbraw/zinc/39/18/74/1398391874.db2.gz DPHGPNHOZBJNDN-UHFFFAOYSA-N 0 0 388.460 3.191 40 0 GGABRN Cc1ccc(S(=O)(=O)[C@@H]2C(=O)N[C@]3(C)C[C@H]2c2cc(Cl)ccc2O3)cc1 ZINC000004315569 1398391880 /nfs/dbraw/zinc/39/18/80/1398391880.db2.gz HIZLTAUZEKKZDU-IEZWGBDMSA-N 0 0 391.876 3.203 40 0 GGABRN COCCNC(=O)CSc1nnc(Cc2ccccc2)n1-c1cccc(C)c1 ZINC000004500491 1398398318 /nfs/dbraw/zinc/39/83/18/1398398318.db2.gz GZFLEWVHYRPGQN-UHFFFAOYSA-N 0 0 396.516 3.021 40 0 GGABRN COC(=O)[C@@H]1C(=O)OC(C)(C)[C@@H]1[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000004687165 1398402463 /nfs/dbraw/zinc/40/24/63/1398402463.db2.gz FWVXJEVGOBTOTG-ZWKOPEQDSA-N 0 0 383.238 3.009 40 0 GGABRN COCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)c(C)c1 ZINC000004835584 1398404426 /nfs/dbraw/zinc/40/44/26/1398404426.db2.gz MEDPXXNDTPMFHS-UHFFFAOYSA-N 0 0 396.516 3.406 40 0 GGABRN C[C@H](C(=O)N(C)Cc1ccccc1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000005293292 1398431763 /nfs/dbraw/zinc/43/17/63/1398431763.db2.gz PJINKRGEILWWIH-OAHLLOKOSA-N 0 0 380.469 3.396 40 0 GGABRN Cc1ccc(NS(=O)(=O)c2cc3cccc4c3c(c2)C(=O)NC4=O)c(C)c1 ZINC000005516135 1398450888 /nfs/dbraw/zinc/45/08/88/1398450888.db2.gz NWAXNPKTTQVRQW-UHFFFAOYSA-N 0 0 380.425 3.141 40 0 GGABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000005578916 1398455740 /nfs/dbraw/zinc/45/57/40/1398455740.db2.gz DNFMQLIDVPEDMA-RMKNXTFCSA-N 0 0 386.360 3.051 40 0 GGABRN COCCNC(=O)/C(C#N)=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000005738292 1398472220 /nfs/dbraw/zinc/47/22/20/1398472220.db2.gz WJYXYIXUTCAPFH-SFQUDFHCSA-N 0 0 377.419 3.498 40 0 GGABRN COc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000005743752 1398473106 /nfs/dbraw/zinc/47/31/06/1398473106.db2.gz VPRNDIMKRGWIGV-WLRTZDKTSA-N 0 0 387.779 3.228 40 0 GGABRN CCc1cccc(C)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000005878380 1398488038 /nfs/dbraw/zinc/48/80/38/1398488038.db2.gz LGRBKGXWOIDWBV-KRWDZBQOSA-N 0 0 380.444 3.092 40 0 GGABRN CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 ZINC000005877616 1398488550 /nfs/dbraw/zinc/48/85/50/1398488550.db2.gz JVXZRICVSJATDN-SFHVURJKSA-N 0 0 394.471 3.401 40 0 GGABRN CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC000005878626 1398488848 /nfs/dbraw/zinc/48/88/48/1398488848.db2.gz MDLCPBBVODSBFJ-SFHVURJKSA-N 0 0 394.471 3.401 40 0 GGABRN CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000005878528 1398488922 /nfs/dbraw/zinc/48/89/22/1398488922.db2.gz CJZFIULKWOTUSD-QGZVFWFLSA-N 0 0 380.444 3.092 40 0 GGABRN CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000005878600 1398488969 /nfs/dbraw/zinc/48/89/69/1398488969.db2.gz FRPBLGATDFFPEK-SFHVURJKSA-N 0 0 394.471 3.401 40 0 GGABRN Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c1C ZINC000005933939 1398492338 /nfs/dbraw/zinc/49/23/38/1398492338.db2.gz LYMOEVZRTHULTC-SFHVURJKSA-N 0 0 394.471 3.455 40 0 GGABRN Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3c(C)cccc3C)CC2=O)c1C ZINC000005934116 1398492581 /nfs/dbraw/zinc/49/25/81/1398492581.db2.gz CKWJUDSOADPVHV-GOSISDBHSA-N 0 0 394.471 3.455 40 0 GGABRN CCOc1cc([C@H]2CC(=O)Nc3ncnn32)ccc1OCc1ccc(F)cc1 ZINC000006155534 1398536211 /nfs/dbraw/zinc/53/62/11/1398536211.db2.gz GQTASYHEOSMXPZ-MRXNPFEDSA-N 0 0 382.395 3.327 40 0 GGABRN CCc1cccc(CC)c1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1 ZINC000006168968 1398536776 /nfs/dbraw/zinc/53/67/76/1398536776.db2.gz HVPOHBBMGJDPRW-CQSZACIVSA-N 0 0 390.505 3.126 40 0 GGABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1C ZINC000006202986 1398537496 /nfs/dbraw/zinc/53/74/96/1398537496.db2.gz QFEMSFWZPOWVRD-CYBMUJFWSA-N 0 0 396.896 3.271 40 0 GGABRN Cc1ccc(NC(=O)C(=O)NCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1C ZINC000006205643 1398537822 /nfs/dbraw/zinc/53/78/22/1398537822.db2.gz ACQRHEQLDAUPGG-UHFFFAOYSA-N 0 0 394.258 3.304 40 0 GGABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)NC(C)C)cc2)c1 ZINC000006213871 1398538418 /nfs/dbraw/zinc/53/84/18/1398538418.db2.gz NLAUSAZKORNSJG-UHFFFAOYSA-N 0 0 376.478 3.008 40 0 GGABRN C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccccc1 ZINC000006260550 1398539933 /nfs/dbraw/zinc/53/99/33/1398539933.db2.gz FTFBZTHUCDSNCI-HOTGVXAUSA-N 0 0 382.485 3.384 40 0 GGABRN CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc(O)c(Cl)c3)C2=O)CC1 ZINC000006308111 1398541765 /nfs/dbraw/zinc/54/17/65/1398541765.db2.gz AZIUUXZTWNGGBS-OQLLNIDSSA-N 0 0 394.880 3.340 40 0 GGABRN CCC[C@H](C)NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 ZINC000006324943 1398541964 /nfs/dbraw/zinc/54/19/64/1398541964.db2.gz LNQDHPDMJJJJFK-INIZCTEOSA-N 0 0 390.505 3.195 40 0 GGABRN CC(C)CCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000006325694 1398542090 /nfs/dbraw/zinc/54/20/90/1398542090.db2.gz GHHJHMKMUZGYKG-UHFFFAOYSA-N 0 0 378.469 3.183 40 0 GGABRN CCOC(=O)c1c2c(sc1N1C(=O)c3ccccc3S1(=O)=O)CCCC2 ZINC000006327515 1398543160 /nfs/dbraw/zinc/54/31/60/1398543160.db2.gz FLPJBXABHXJEDI-UHFFFAOYSA-N 0 0 391.470 3.153 40 0 GGABRN CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000006352275 1398544690 /nfs/dbraw/zinc/54/46/90/1398544690.db2.gz PIEZPKRQLUIRKD-INIZCTEOSA-N 0 0 390.505 3.398 40 0 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/nfs/dbraw/zinc/33/48/02/1399334802.db2.gz VPEVKQVWFQLFCK-HNNXBMFYSA-N 0 0 385.468 3.062 40 0 GGABRN Cc1nc2ccccn2c1CC(=O)Nc1cccc([C@@H]2CCc3nncn3C2)c1 ZINC000019698187 1399334859 /nfs/dbraw/zinc/33/48/59/1399334859.db2.gz XALAVSQLBDNYEE-QGZVFWFLSA-N 0 0 386.459 3.145 40 0 GGABRN CCCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(=O)C1CC1 ZINC000019696501 1399334945 /nfs/dbraw/zinc/33/49/45/1399334945.db2.gz VZGUTNWVIRGGEB-JOCHJYFZSA-N 0 0 381.476 3.182 40 0 GGABRN O=C(c1cnccn1)N1CC[C@@H](c2cc(COc3cccc(Cl)c3)n[nH]2)C1 ZINC000019704553 1399335437 /nfs/dbraw/zinc/33/54/37/1399335437.db2.gz CYSOFGTWZIFIDH-CYBMUJFWSA-N 0 0 383.839 3.062 40 0 GGABRN Cc1nccn1CCC(=O)N1CC[C@@H](c2cc(COc3ccc(F)cc3)n[nH]2)C1 ZINC000019704691 1399335497 /nfs/dbraw/zinc/33/54/97/1399335497.db2.gz KIYZAASRBBJZFS-MRXNPFEDSA-N 0 0 397.454 3.039 40 0 GGABRN CC(=O)N1CCC[C@@](O)(c2nc(C)c(CCOc3ccc(F)cc3)s2)CC1 ZINC000019705486 1399335516 /nfs/dbraw/zinc/33/55/16/1399335516.db2.gz FQTSPRKMQZMGAT-FQEVSTJZSA-N 0 0 392.496 3.432 40 0 GGABRN COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)C(C)(C)C)C1 ZINC000019702419 1399335574 /nfs/dbraw/zinc/33/55/74/1399335574.db2.gz VHAOHVJXRKDYAJ-ZDUSSCGKSA-N 0 0 389.521 3.035 40 0 GGABRN Cn1nccc1C(=O)N1CC[C@H](c2cc(COc3cccc(Cl)c3)n[nH]2)C1 ZINC000019704642 1399335587 /nfs/dbraw/zinc/33/55/87/1399335587.db2.gz KDKQNUHVURGMFR-ZDUSSCGKSA-N 0 0 385.855 3.005 40 0 GGABRN COc1ccc(OCc2sc([C@@]3(O)CCCN(C(C)=O)CC3)nc2C)cc1 ZINC000019705268 1399335707 /nfs/dbraw/zinc/33/57/07/1399335707.db2.gz BWDWIKHVJUPDGG-HXUWFJFHSA-N 0 0 390.505 3.259 40 0 GGABRN CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(CN(C)C(=O)COC(C)C)cc2)C1 ZINC000019711936 1399335999 /nfs/dbraw/zinc/33/59/99/1399335999.db2.gz CZLQQQWONICTPO-RTWAWAEBSA-N 0 0 390.524 3.159 40 0 GGABRN CN(C)Cc1cc([C@H]2CCCN2C(=O)c2cc3ccc(N(C)C)cc3[nH]2)nn1C ZINC000019710067 1399336180 /nfs/dbraw/zinc/33/61/80/1399336180.db2.gz XCNJBKPTZKUTLW-OAQYLSRUSA-N 0 0 394.523 3.006 40 0 GGABRN CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(CN(C)Cc3ccnn3C)cc2)C1 ZINC000019712073 1399336220 /nfs/dbraw/zinc/33/62/20/1399336220.db2.gz JJPMBCBIPKWSTG-IRLDBZIGSA-N 0 0 384.524 3.141 40 0 GGABRN COc1ccc(OC)c(C(=O)Nc2cccc([C@H]3C[C@@H](NC(C)=O)CCO3)c2)c1 ZINC000019712276 1399336355 /nfs/dbraw/zinc/33/63/55/1399336355.db2.gz NQHDRVCXFWAVIA-LAUBAEHRSA-N 0 0 398.459 3.312 40 0 GGABRN CC(C)c1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NC(=O)CCCC[C@H]32)[nH]n1 ZINC000019712817 1399336521 /nfs/dbraw/zinc/33/65/21/1399336521.db2.gz AGLLFADHSKFZKS-SCWSEQNSSA-N 0 0 398.482 3.339 40 0 GGABRN O=C(c1cc(C2CC2)on1)N1C[C@@H](c2cccc(F)c2)[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712822 1399336584 /nfs/dbraw/zinc/33/65/84/1399336584.db2.gz GGLHQEYIURARBL-CDXJDZJCSA-N 0 0 397.450 3.358 40 0 GGABRN O=C(c1cc(C2CC2)n[nH]1)N1C[C@@H](c2cccc(F)c2)[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712827 1399336860 /nfs/dbraw/zinc/33/68/60/1399336860.db2.gz OROPSCNHMVOBPZ-SCWSEQNSSA-N 0 0 396.466 3.093 40 0 GGABRN COc1ccc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)c(OC)c1OC ZINC000019727666 1399337202 /nfs/dbraw/zinc/33/72/02/1399337202.db2.gz IQLOSHRPFHXDKW-ZRDIBKRKSA-N 0 0 396.487 3.070 40 0 GGABRN CC(=O)N1CCC[C@@](O)(c2nc(C)c(CCOc3ccccc3F)s2)CC1 ZINC000019738727 1399337401 /nfs/dbraw/zinc/33/74/01/1399337401.db2.gz ODSQYAVASWCKOJ-FQEVSTJZSA-N 0 0 392.496 3.432 40 0 GGABRN Cc1nc([C@@H]2CCCN(C(=O)C(C)C)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019765458 1399337845 /nfs/dbraw/zinc/33/78/45/1399337845.db2.gz UYUYVPQFDKPMBT-QGZVFWFLSA-N 0 0 398.482 3.216 40 0 GGABRN CCC(=O)N1CCC(c2ncc(C(=O)Nc3ccc(OC)cc3)c(C)n2)CC1 ZINC000019764210 1399338153 /nfs/dbraw/zinc/33/81/53/1399338153.db2.gz RVYXTZKWSHYUCD-UHFFFAOYSA-N 0 0 382.464 3.162 40 0 GGABRN O=C(CN1CCOCC1)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 ZINC000019891804 1399339264 /nfs/dbraw/zinc/33/92/64/1399339264.db2.gz JZIJSWBXSLKZKS-UHFFFAOYSA-N 0 0 384.501 3.129 40 0 GGABRN COc1ccccc1CC(=O)C[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C ZINC000020111879 1399342902 /nfs/dbraw/zinc/34/29/02/1399342902.db2.gz NTZXVTSTIPJQBD-KRWDZBQOSA-N 0 0 383.444 3.163 40 0 biogenic GGABRN 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/nfs/dbraw/zinc/35/18/63/1399351863.db2.gz PAPOWKMOSVIWCY-UHFFFAOYSA-N 0 0 395.427 3.496 40 0 GGABRN COc1ccccc1N1CCN(C[C@H](O)COc2ccc(C(C)C)cc2)CC1 ZINC000020807261 1399353916 /nfs/dbraw/zinc/35/39/16/1399353916.db2.gz MZSIYAOVMVOLMD-FQEVSTJZSA-N 0 0 384.520 3.381 40 0 GGABRN O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1CCOc1ccccc1Cl ZINC000020834112 1399354417 /nfs/dbraw/zinc/35/44/17/1399354417.db2.gz ASXDMJUXONCNIV-KRWDZBQOSA-N 0 0 383.835 3.363 40 0 GGABRN CCOc1cc(C(=O)OCC(=O)NCc2ccco2)ccc1OCC(C)C ZINC000020892984 1399355523 /nfs/dbraw/zinc/35/55/23/1399355523.db2.gz BPFDJGYVDZDYRP-UHFFFAOYSA-N 0 0 375.421 3.186 40 0 GGABRN O=C(c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1)N1CCCCCC1 ZINC000020889099 1399355834 /nfs/dbraw/zinc/35/58/34/1399355834.db2.gz WCVGBEWADPTUOF-UHFFFAOYSA-N 0 0 384.501 3.454 40 0 GGABRN Cc1ccccc1OC(=O)CSc1nnc(CNC(=O)c2ccccc2)o1 ZINC000020900155 1399356612 /nfs/dbraw/zinc/35/66/12/1399356612.db2.gz ZJXSJDOQUUOBOU-UHFFFAOYSA-N 0 0 383.429 3.006 40 0 GGABRN Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H]3c3ccccc3Cl)ccc21 ZINC000021150946 1399366757 /nfs/dbraw/zinc/36/67/57/1399366757.db2.gz DFLMJOCSTHNYFN-HNNXBMFYSA-N 0 0 392.864 3.311 40 0 GGABRN Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(-n3cnnc3)n2)c1 ZINC000021157376 1399367052 /nfs/dbraw/zinc/36/70/52/1399367052.db2.gz SUYNYMIMCHETAR-UHFFFAOYSA-N 0 0 398.426 3.475 40 0 GGABRN CCCCCC[C@@]1(C)NC(=O)N(C[C@@H](O)COCc2ccccc2Cl)C1=O ZINC000021559041 1399389960 /nfs/dbraw/zinc/38/99/60/1399389960.db2.gz RCTRDJXNXVMSTK-OXQOHEQNSA-N 0 0 396.915 3.498 40 0 GGABRN COc1ccc(OC)c(COC(=O)c2ccc(OCc3noc(C)n3)cc2)c1 ZINC000021563299 1399390499 /nfs/dbraw/zinc/39/04/99/1399390499.db2.gz FRCLBAYTCJZIDI-UHFFFAOYSA-N 0 0 384.388 3.331 40 0 GGABRN CCc1nn2c(nc(COC(=O)C3(c4ccccc4)CCCC3)cc2=O)s1 ZINC000021603980 1399394351 /nfs/dbraw/zinc/39/43/51/1399394351.db2.gz BMSUROXPFNXKGB-UHFFFAOYSA-N 0 0 383.473 3.269 40 0 GGABRN CC(C)CC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1 ZINC000021632524 1399396252 /nfs/dbraw/zinc/39/62/52/1399396252.db2.gz ZZINDWRZHWZQSY-UHFFFAOYSA-N 0 0 385.445 3.098 40 0 GGABRN CCOc1ccccc1C(=O)N[C@H](C(=O)OCc1nnsc1Cl)C(C)C ZINC000021671828 1399399360 /nfs/dbraw/zinc/39/93/60/1399399360.db2.gz ZXXVVLPIFBHCGD-AWEZNQCLSA-N 0 0 397.884 3.088 40 0 GGABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cnc2ccccc2n1 ZINC000021888030 1399419501 /nfs/dbraw/zinc/41/95/01/1399419501.db2.gz SDDUOEOWMDQRJB-UHFFFAOYSA-N 0 0 396.472 3.057 40 0 GGABRN C[C@@H]1C(=O)N(C[C@@H](O)COc2ccc3ccccc3c2)C(=O)N1c1ccccc1 ZINC000021932787 1399425210 /nfs/dbraw/zinc/42/52/10/1399425210.db2.gz JZBFROSTGQHJQL-OXQOHEQNSA-N 0 0 390.439 3.437 40 0 GGABRN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N[C@H](C)c1cccs1 ZINC000022377302 1399459232 /nfs/dbraw/zinc/45/92/32/1399459232.db2.gz QKUUAVFQNVQVNX-SECBINFHSA-N 0 0 383.399 3.241 40 0 GGABRN CC(=O)N1CCc2cc(NC(=O)c3ccccc3OC[C@H]3CCCO3)ccc21 ZINC000022459506 1399465768 /nfs/dbraw/zinc/46/57/68/1399465768.db2.gz RJGAQXUAWULEQD-GOSISDBHSA-N 0 0 380.444 3.406 40 0 GGABRN Cc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1C ZINC000022524821 1399472695 /nfs/dbraw/zinc/47/26/95/1399472695.db2.gz KKYHZBTUKUGEOF-CVEARBPZSA-N 0 0 392.496 3.474 40 0 GGABRN CCCCn1nc(C(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)ccc1=O ZINC000022566570 1399477725 /nfs/dbraw/zinc/47/77/25/1399477725.db2.gz NYDOAMXPXGHIHA-CQSZACIVSA-N 0 0 381.432 3.261 40 0 GGABRN COCCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nnc1-c1ccccc1 ZINC000024169251 1399607155 /nfs/dbraw/zinc/60/71/55/1399607155.db2.gz HDCFGXSVXPXFGB-HZPDHXFCSA-N 0 0 388.537 3.473 40 0 GGABRN CCc1c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)cnn1-c1ccc(F)cc1 ZINC000025006497 1399712461 /nfs/dbraw/zinc/71/24/61/1399712461.db2.gz JDYVNYQHHDIFLH-UHFFFAOYSA-N 0 0 398.482 3.048 40 0 GGABRN CCNc1nc(N[C@H](C)CC)nc(-n2cnc(SCc3ccccc3)n2)n1 ZINC000025495727 1399813626 /nfs/dbraw/zinc/81/36/26/1399813626.db2.gz KZJGKYGWDOOXSU-CYBMUJFWSA-N 0 0 384.513 3.387 40 0 GGABRN CC(=O)O[C@@H]1C[C@@H]2[C@H]3CC[C@@](O)(C(C)=O)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000025554650 1399819489 /nfs/dbraw/zinc/81/94/89/1399819489.db2.gz XQVPPASTQTXMTK-UBCNVOSOSA-N 0 0 388.504 3.380 40 0 GGABRN CCc1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2OC)CC1 ZINC000026843605 1399940239 /nfs/dbraw/zinc/94/02/39/1399940239.db2.gz WDXLGIJCHCKQKN-UHFFFAOYSA-N 0 0 394.924 3.422 40 0 GGABRN COc1ccc(/C=C2\N=C(SCC(=O)Nc3ccc(C)cc3)NC2=O)cc1 ZINC000027525540 1400050193 /nfs/dbraw/zinc/05/01/93/1400050193.db2.gz URZHBONCMYQOEX-BOPFTXTBSA-N 0 0 381.457 3.202 40 0 GGABRN CC(C)(C)c1nnc2sc(SCC(=O)c3ccccc3Cl)nn2c1=O ZINC000027525759 1400050469 /nfs/dbraw/zinc/05/04/69/1400050469.db2.gz FJFVMFMMBHBAPN-UHFFFAOYSA-N 0 0 394.909 3.472 40 0 GGABRN Cc1ccnc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000027647707 1400071242 /nfs/dbraw/zinc/07/12/42/1400071242.db2.gz QNWPIDUYJCGKBO-UHFFFAOYSA-N 0 0 387.505 3.136 40 0 GGABRN Cc1cc(NC(=O)CSCC(=O)Nc2ccccc2OC(F)(F)F)no1 ZINC000027824144 1400097079 /nfs/dbraw/zinc/09/70/79/1400097079.db2.gz STFKGEJBIRMOPD-UHFFFAOYSA-N 0 0 389.355 3.192 40 0 GGABRN COc1ccc(CC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000027931210 1400106412 /nfs/dbraw/zinc/10/64/12/1400106412.db2.gz UMGLZAQRKMHMAY-UHFFFAOYSA-N 0 0 376.859 3.375 40 0 GGABRN COc1ccc(CC(=O)NCCCn2nc(C)c(Br)c2C)cc1 ZINC000027928043 1400106424 /nfs/dbraw/zinc/10/64/24/1400106424.db2.gz OWGXRYQAFFGJQP-UHFFFAOYSA-N 0 0 380.286 3.020 40 0 GGABRN O=C(Cn1nc(C(F)(F)F)cc1C1CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000027936852 1400108075 /nfs/dbraw/zinc/10/80/75/1400108075.db2.gz JOAHPTWIUAXZFJ-UHFFFAOYSA-N 0 0 396.388 3.267 40 0 GGABRN Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1nccc(C)n1 ZINC000027936499 1400108089 /nfs/dbraw/zinc/10/80/89/1400108089.db2.gz HHRSFSHCVJXTJZ-QMMMGPOBSA-N 0 0 392.179 3.271 40 0 GGABRN O=C(NCc1cccnc1)c1ccn(COc2ccc(Br)cc2)n1 ZINC000027972988 1400113234 /nfs/dbraw/zinc/11/32/34/1400113234.db2.gz KADXTXTXORJZDI-UHFFFAOYSA-N 0 0 387.237 3.007 40 0 GGABRN Cc1nn(Cn2ccc(C(=O)N3C[C@H](C)C[C@H](C)C3)n2)c(C)c1Br ZINC000027973502 1400113384 /nfs/dbraw/zinc/11/33/84/1400113384.db2.gz AMEJGKNRCXACGV-TXEJJXNPSA-N 0 0 394.317 3.083 40 0 GGABRN Cc1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2Cl)c1 ZINC000028207895 1400139846 /nfs/dbraw/zinc/13/98/46/1400139846.db2.gz BIEMFRAULJEQKP-UHFFFAOYSA-N 0 0 396.896 3.225 40 0 GGABRN CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2Cl)cc1 ZINC000028207907 1400140112 /nfs/dbraw/zinc/14/01/12/1400140112.db2.gz IVQUBWFBWKQLTC-UHFFFAOYSA-N 0 0 396.896 3.170 40 0 GGABRN O=C(NC[C@H]1CCCO1)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 ZINC000028231030 1400140651 /nfs/dbraw/zinc/14/06/51/1400140651.db2.gz DDFDKKGZJCGEKT-HXUWFJFHSA-N 0 0 377.444 3.495 40 0 GGABRN COc1cccc(Cn2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cn2)c1 ZINC000028220668 1400140895 /nfs/dbraw/zinc/14/08/95/1400140895.db2.gz LCGPPPITYINQBJ-UHFFFAOYSA-N 0 0 397.431 3.218 40 0 GGABRN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1cnc2sccn2c1=O ZINC000028234398 1400141542 /nfs/dbraw/zinc/14/15/42/1400141542.db2.gz QSIOTEWDDAOODM-UHFFFAOYSA-N 0 0 393.472 3.178 40 0 GGABRN Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)c1cnc2sccn2c1=O ZINC000028234690 1400141585 /nfs/dbraw/zinc/14/15/85/1400141585.db2.gz JPPKFHYMQMGRAN-UHFFFAOYSA-N 0 0 397.435 3.009 40 0 GGABRN Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)NCc1ccco1 ZINC000028231560 1400141596 /nfs/dbraw/zinc/14/15/96/1400141596.db2.gz RWGRWJQRNZDRLO-UHFFFAOYSA-N 0 0 380.164 3.272 40 0 GGABRN CCn1ncc(Br)c1C(=O)Nc1cnn(Cc2ccccc2C)c1 ZINC000028237643 1400141688 /nfs/dbraw/zinc/14/16/88/1400141688.db2.gz NMNBQOOTTPKPGP-UHFFFAOYSA-N 0 0 388.269 3.471 40 0 GGABRN Cc1nn(CCC(=O)Nc2nc3ccccc3n2C)c(C)c1Br ZINC000028234822 1400141732 /nfs/dbraw/zinc/14/17/32/1400141732.db2.gz RCOSXDZDGYDXIP-UHFFFAOYSA-N 0 0 376.258 3.178 40 0 GGABRN Cc1ccn(-c2ccc(NC(=O)[C@H](C)Cn3cc(Br)cn3)cc2)n1 ZINC000028240330 1400142365 /nfs/dbraw/zinc/14/23/65/1400142365.db2.gz RXJSBZNTEJXRET-GFCCVEGCSA-N 0 0 388.269 3.415 40 0 GGABRN Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1S(=O)(=O)N1CCCC1 ZINC000028297216 1400147438 /nfs/dbraw/zinc/14/74/38/1400147438.db2.gz HJKRSRNPIXMGDP-UHFFFAOYSA-N 0 0 391.537 3.141 40 0 GGABRN Cc1c(Br)c(C(=O)NCc2ccccc2C(F)(F)F)nn1C ZINC000028304215 1400147995 /nfs/dbraw/zinc/14/79/95/1400147995.db2.gz NYWNVMKJTDFXOI-UHFFFAOYSA-N 0 0 376.176 3.440 40 0 GGABRN C[C@H](Sc1nnnn1C(C)(C)C)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000028447050 1400166791 /nfs/dbraw/zinc/16/67/91/1400166791.db2.gz VNOZMIHHDWXJOQ-LBPRGKRZSA-N 0 0 397.932 3.100 40 0 GGABRN CCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)[C@H]2C(=O)CC(C)(C)C[C@@]21O ZINC000028466471 1400168422 /nfs/dbraw/zinc/16/84/22/1400168422.db2.gz NQASECOTXCZMGO-IIDMSEBBSA-N 0 0 384.398 3.486 40 0 GGABRN CCN1C(=O)N[C@H](c2ccc(Br)cc2)[C@H]2C(=O)CC(C)(C)C[C@@]21O ZINC000028466414 1400168557 /nfs/dbraw/zinc/16/85/57/1400168557.db2.gz DRHCGZYWGMVLPB-IIDMSEBBSA-N 0 0 395.297 3.229 40 0 GGABRN CC(=O)Nc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2c2cccs2)cc1 ZINC000028467029 1400168650 /nfs/dbraw/zinc/16/86/50/1400168650.db2.gz QQYDGHWZMIUNAG-YCPHGPKFSA-N 0 0 399.394 3.095 40 0 GGABRN CCn1c(=O)c(Nc2ccc3c(c2)OCO3)nnc1SCc1cccs1 ZINC000028538232 1400175465 /nfs/dbraw/zinc/17/54/65/1400175465.db2.gz ZNVXZNAEDZUPBL-UHFFFAOYSA-N 0 0 388.474 3.484 40 0 GGABRN COc1ccc(CCNC(=S)N2C(=O)CSc3ccccc32)cc1OC ZINC000028527723 1400175533 /nfs/dbraw/zinc/17/55/33/1400175533.db2.gz GRDDBDDDQJQJCA-UHFFFAOYSA-N 0 0 388.514 3.260 40 0 GGABRN COc1ccc(Nn2c(N)nn(CC(=O)c3ccc(C)cc3C)c2=S)cc1 ZINC000028535174 1400175753 /nfs/dbraw/zinc/17/57/53/1400175753.db2.gz UIPCNMNLJNEURP-UHFFFAOYSA-N 0 0 383.477 3.380 40 0 GGABRN COc1ccc(C(=O)N[C@H](C(=O)NCCCOc2cccc(C)c2)C(C)C)cc1 ZINC000028728079 1400189650 /nfs/dbraw/zinc/18/96/50/1400189650.db2.gz WZNROGFRJRUXMM-NRFANRHFSA-N 0 0 398.503 3.343 40 0 GGABRN C[C@@H](O)CNc1nc2ccccc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000028914802 1400210651 /nfs/dbraw/zinc/21/06/51/1400210651.db2.gz IKVWWMCFSKMDGB-GFCCVEGCSA-N 0 0 392.381 3.487 40 0 GGABRN C[C@@H]1CCc2ccccc2N1C(=O)CSc1nc2sccc2c(=O)n1C ZINC000029356617 1400286623 /nfs/dbraw/zinc/28/66/23/1400286623.db2.gz CINYSUWOMLOPNV-GFCCVEGCSA-N 0 0 385.514 3.455 40 0 GGABRN CC(C)(C)OC(=O)N1CCC(C(=O)NCCCN2CCc3ccccc32)CC1 ZINC000029521586 1400309662 /nfs/dbraw/zinc/30/96/62/1400309662.db2.gz PZQWKGIFCDLTJP-UHFFFAOYSA-N 0 0 387.524 3.203 40 0 GGABRN CC(C)COCCCNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000029633582 1400325903 /nfs/dbraw/zinc/32/59/03/1400325903.db2.gz RMFBNYZMDAKRFJ-UHFFFAOYSA-N 0 0 394.471 3.275 40 0 GGABRN Cc1ccc(-c2cc(CN(C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)on2)cc1 ZINC000029703478 1400339652 /nfs/dbraw/zinc/33/96/52/1400339652.db2.gz QXHLCEJYNLKZIB-OAHLLOKOSA-N 0 0 385.489 3.490 40 0 GGABRN COc1cccc([C@@H](NC(=O)NCCOc2ccccc2F)c2nccn2C)c1 ZINC000029728123 1400344110 /nfs/dbraw/zinc/34/41/10/1400344110.db2.gz GGBSTEAZIQRIPV-LJQANCHMSA-N 0 0 398.438 3.035 40 0 GGABRN CCOc1cc2c(cc1NC(=O)[C@@H]1CCCN(c3cnccn3)C1)O[C@@H](C)C2 ZINC000029785592 1400352437 /nfs/dbraw/zinc/35/24/37/1400352437.db2.gz KKYWAFJBCHIBDY-LSDHHAIUSA-N 0 0 382.464 3.054 40 0 GGABRN NC(=O)COc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 ZINC000029809218 1400356092 /nfs/dbraw/zinc/35/60/92/1400356092.db2.gz VLDRUYHXBZEDRT-UHFFFAOYSA-N 0 0 386.411 3.346 40 0 GGABRN Cc1cc(C)n2nc(C(=O)Nc3ncc(Cc4cccc(F)c4)s3)nc2n1 ZINC000029973053 1400390208 /nfs/dbraw/zinc/39/02/08/1400390208.db2.gz CWVBYASSJAUCQS-UHFFFAOYSA-N 0 0 382.424 3.180 40 0 GGABRN CCCCn1nc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)ccc1=O ZINC000030011450 1400397936 /nfs/dbraw/zinc/39/79/36/1400397936.db2.gz KUINSUWIKIZFCF-UHFFFAOYSA-N 0 0 379.464 3.372 40 0 GGABRN CN1CCN(C(=O)c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)CC1 ZINC000056290836 1407282530 /nfs/dbraw/zinc/28/25/30/1407282530.db2.gz YILVLDLYRBYVPJ-UHFFFAOYSA-N 0 0 391.393 3.345 40 0 GGABRN CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)N(C)c2cccc(C)c2)c1=O ZINC000044840577 1404009956 /nfs/dbraw/zinc/00/99/56/1404009956.db2.gz KZDLCDDSEBPPMA-MRXNPFEDSA-N 0 0 379.460 3.106 40 0 GGABRN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)N1CCCCC1 ZINC000047080954 1404700368 /nfs/dbraw/zinc/70/03/68/1404700368.db2.gz JSAGZUPMQQNZPF-LJQANCHMSA-N 0 0 386.517 3.253 40 0 GGABRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000049809604 1405421428 /nfs/dbraw/zinc/42/14/28/1405421428.db2.gz VYAYWYBVDYIFDN-AWEZNQCLSA-N 0 0 386.835 3.183 40 0 GGABRN O=C(NCCN1CCN(c2ccccc2F)CC1)c1c(F)cccc1Cl ZINC000056997430 1407496096 /nfs/dbraw/zinc/49/60/96/1407496096.db2.gz BNWOWWOCWIFUKM-UHFFFAOYSA-N 0 0 379.838 3.170 40 0 GGABRN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)C(F)(F)F ZINC000057316811 1407586469 /nfs/dbraw/zinc/58/64/69/1407586469.db2.gz BYQOKQYMIWBDQX-UHFFFAOYSA-N 0 0 383.395 3.211 40 0 GGABRN O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000057364078 1407596891 /nfs/dbraw/zinc/59/68/91/1407596891.db2.gz WNTSIHFAEUYSHK-UHFFFAOYSA-N 0 0 389.459 3.030 40 0 GGABRN CS(=O)(=O)Nc1cccc(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1 ZINC000057380618 1407602176 /nfs/dbraw/zinc/60/21/76/1407602176.db2.gz ZNUWOCQSAOFRRY-UHFFFAOYSA-N 0 0 386.395 3.049 40 0 GGABRN CCc1cc(=O)n(CC(=O)N(C)Cc2ccccc2)c(-c2ccc(F)cc2)n1 ZINC000057508482 1407640227 /nfs/dbraw/zinc/64/02/27/1407640227.db2.gz XMOKKMWGBDANFX-UHFFFAOYSA-N 0 0 379.435 3.270 40 0 GGABRN COc1ccc(C(=O)NC2(C)CCC(C)CC2)cc1S(=O)(=O)NC(C)C ZINC000058168596 1407792270 /nfs/dbraw/zinc/79/22/70/1407792270.db2.gz GAJWVRSAZYIVGI-UHFFFAOYSA-N 0 0 382.526 3.081 40 0 GGABRN CCc1nc2ccccc2n1CC(=O)N(CC(=O)OC)Cc1ccc(Cl)cc1 ZINC000058166627 1407792614 /nfs/dbraw/zinc/79/26/14/1407792614.db2.gz RKQBZRITNJAQJB-UHFFFAOYSA-N 0 0 399.878 3.454 40 0 GGABRN Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 ZINC000062387456 1408247886 /nfs/dbraw/zinc/24/78/86/1408247886.db2.gz KUXQKWGQOKPPJQ-CQSZACIVSA-N 0 0 386.835 3.183 40 0 GGABRN COC(=O)CCNC(=O)/C=C/c1ccc(OCc2ccccc2C)c(OC)c1 ZINC000062715177 1408292316 /nfs/dbraw/zinc/29/23/16/1408292316.db2.gz HVXAPVRKZIWTFO-PKNBQFBNSA-N 0 0 383.444 3.275 40 0 GGABRN COC(=O)CCNC(=O)/C=C/c1ccc(OCc2ccc(C)c(OC)c2)cc1 ZINC000062715730 1408292459 /nfs/dbraw/zinc/29/24/59/1408292459.db2.gz IRMGCJRYRFTVPC-DHZHZOJOSA-N 0 0 383.444 3.275 40 0 GGABRN COC[C@]1(C)NC(=O)N(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1=O ZINC000066082963 1408781084 /nfs/dbraw/zinc/78/10/84/1408781084.db2.gz NSYIZLCIGDLAJI-INIZCTEOSA-N 0 0 399.394 3.286 40 0 GGABRN CCOc1ccccc1N1CCN(CC(=O)c2cc(OC)ccc2OC)CC1 ZINC000067206417 1409041824 /nfs/dbraw/zinc/04/18/24/1409041824.db2.gz KBAYFYXLAOBIDK-UHFFFAOYSA-N 0 0 384.476 3.107 40 0 GGABRN Cc1nc(-c2ccccc2)cc2nn(CC(=O)Nc3ccc(Cl)cc3)c(=O)n21 ZINC000067226670 1409048275 /nfs/dbraw/zinc/04/82/75/1409048275.db2.gz MFXHVVJCANPRBG-UHFFFAOYSA-N 0 0 393.834 3.159 40 0 GGABRN O=c1c2nnn(Cc3ccccc3Cl)c2ncn1Cc1ccc(Cl)cc1 ZINC000067259969 1409056212 /nfs/dbraw/zinc/05/62/12/1409056212.db2.gz UNUBHYPTAADVMT-UHFFFAOYSA-N 0 0 386.242 3.391 40 0 GGABRN Cc1c(C(=O)Nc2ccc(F)cc2F)nnn1CC(=O)Nc1ccc(C)c(C)c1 ZINC000067322263 1409072763 /nfs/dbraw/zinc/07/27/63/1409072763.db2.gz ZCALZJITAYIBKL-UHFFFAOYSA-N 0 0 399.401 3.373 40 0 GGABRN Cc1ccc(NC(=O)C2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1Cl ZINC000070637993 1409747728 /nfs/dbraw/zinc/74/77/28/1409747728.db2.gz XCGBXTLHHOCALW-UHFFFAOYSA-N 0 0 396.882 3.479 40 0 GGABRN Nn1c(=O)c2ccc(F)cc2nc1SCc1ccc(Br)cc1 ZINC000071327739 1409823498 /nfs/dbraw/zinc/82/34/98/1409823498.db2.gz PIENJTGTCPAICD-UHFFFAOYSA-N 0 0 380.242 3.304 40 0 GGABRN CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(OC)c2)c1C ZINC000071327355 1409823519 /nfs/dbraw/zinc/82/35/19/1409823519.db2.gz IXDXVRRINSOAKV-UHFFFAOYSA-N 0 0 393.447 3.049 40 0 GGABRN COC(=O)c1cc(NC(=S)Nc2ccc(OC)c(F)c2)cc(C(=O)OC)c1 ZINC000071325893 1409823574 /nfs/dbraw/zinc/82/35/74/1409823574.db2.gz AVTNMRLEYULALA-UHFFFAOYSA-N 0 0 392.408 3.216 40 0 GGABRN CCOc1ccc(CC(=O)OCC(=O)Nc2cccc(OC)c2)cc1OCC ZINC000072330885 1409849962 /nfs/dbraw/zinc/84/99/62/1409849962.db2.gz SWJJYJPTUGTCNS-UHFFFAOYSA-N 0 0 387.432 3.217 40 0 GGABRN O=C(NCC1CCN(c2ncccn2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000077200884 1409894626 /nfs/dbraw/zinc/89/46/26/1409894626.db2.gz HQRRFSCZNZCCLH-UHFFFAOYSA-N 0 0 380.370 3.022 40 0 GGABRN CN(C)C(=O)Sc1cccc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c1 ZINC000079054751 1409953228 /nfs/dbraw/zinc/95/32/28/1409953228.db2.gz GPKIUIXCRATLNA-QGZVFWFLSA-N 0 0 383.473 3.123 40 0 GGABRN O=S(=O)(c1ccccc1N1CCC(Oc2ccccn2)CC1)C(F)(F)F ZINC000079061549 1409953758 /nfs/dbraw/zinc/95/37/58/1409953758.db2.gz QEBNSLPISJSKIS-UHFFFAOYSA-N 0 0 386.395 3.423 40 0 GGABRN CCOc1ccc(-c2nc([C@H](N)c3ccc(OC)c(OCC)c3)n[nH]2)cc1OC ZINC000095534490 1410315131 /nfs/dbraw/zinc/31/51/31/1410315131.db2.gz DZYSPXCWHNGHKD-LJQANCHMSA-N 0 0 398.463 3.334 40 0 GGABRN CCOc1ccc([C@H](N)c2n[nH]c(CNc3cccc(OC)c3)n2)cc1OCC ZINC000095534550 1410315569 /nfs/dbraw/zinc/31/55/69/1410315569.db2.gz WRXWKBHDPVDPKX-FQEVSTJZSA-N 0 0 397.479 3.271 40 0 GGABRN Cc1nn(C)c(C)c1-c1cc(C(=O)NCCc2c[nH]c3cc(F)ccc23)[nH]n1 ZINC000096125574 1410325286 /nfs/dbraw/zinc/32/52/86/1410325286.db2.gz YTQJSAKOELRRHG-UHFFFAOYSA-N 0 0 380.427 3.020 40 0 GGABRN COc1ccc(OC)c([C@H](C)NC(=O)COc2cccc(N3CCCC3=O)c2)c1 ZINC000096402253 1410331920 /nfs/dbraw/zinc/33/19/20/1410331920.db2.gz AOIVIVOCAGWJMW-HNNXBMFYSA-N 0 0 398.459 3.087 40 0 GGABRN 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/nfs/dbraw/zinc/42/49/67/1417424967.db2.gz XRICGOUGFGTHBS-GOSISDBHSA-N 0 0 394.471 3.455 40 0 GGABRN Cc1ccc(-n2nc3c(c2NC(=O)Cc2cccc(C)c2)C[S@](=O)C3)cc1 ZINC000140818717 1417517658 /nfs/dbraw/zinc/51/76/58/1417517658.db2.gz MOLVMXPCSIZKEJ-HHHXNRCGSA-N 0 0 379.485 3.433 40 0 GGABRN CS(=O)(=O)c1nc(Nc2ccc(F)c(Cl)c2)ncc1Br ZINC000143630473 1417643370 /nfs/dbraw/zinc/64/33/70/1417643370.db2.gz VOUUVUVOEVTDPZ-UHFFFAOYSA-N 0 0 380.626 3.179 40 0 GGABRN COc1ccc(N(C)C(=O)c2nnn(-c3ccc(Cl)cc3F)c2C)cn1 ZINC000172925675 1426266365 /nfs/dbraw/zinc/26/63/65/1426266365.db2.gz BIOHWVMWSFUVQE-UHFFFAOYSA-N 0 0 375.791 3.048 40 0 GGABRN CC[C@](C)(Nc1ccnc(-c2c[nH]c3ncccc23)n1)C(=O)NCC(F)(F)F ZINC000205734754 1433353215 /nfs/dbraw/zinc/35/32/15/1433353215.db2.gz ASUGUQWIHMTFJL-KRWDZBQOSA-N 0 0 392.385 3.279 40 0 GGABRN COc1cccc(C(=O)N2CCS/C2=C/c2cnc(SC)nc2OC)c1 ZINC000225239947 1433366985 /nfs/dbraw/zinc/36/69/85/1433366985.db2.gz STWSGSMXVSANHY-XNTDXEJSSA-N 0 0 389.502 3.403 40 0 GGABRN CC(C)Sc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(C(N)=O)[nH]n2)cc1 ZINC000225555448 1433367116 /nfs/dbraw/zinc/36/71/16/1433367116.db2.gz IOIRAONJKFFVKE-GOSISDBHSA-N 0 0 386.521 3.305 40 0 GGABRN CC(C)CN1c2cc(NC(=O)NC3CCOCC3)ccc2OCC(C)(C)C1=O ZINC000225550820 1433367193 /nfs/dbraw/zinc/36/71/93/1433367193.db2.gz NJAUZNHHKMULTH-UHFFFAOYSA-N 0 0 389.496 3.395 40 0 GGABRN COC(=O)c1ccc(C(=O)N2CC[C@H](Oc3cc(C(F)(F)F)ccn3)C2)cc1 ZINC000225729750 1433367872 /nfs/dbraw/zinc/36/78/72/1433367872.db2.gz DDUCGUPYXGKCJT-HNNXBMFYSA-N 0 0 394.349 3.181 40 0 GGABRN CC(=O)Nc1ccc(C(=O)N2CC[C@@H](Oc3cc(C(F)(F)F)ccn3)C2)cc1 ZINC000225729512 1433367907 /nfs/dbraw/zinc/36/79/07/1433367907.db2.gz MJRSUAPFBUWJCS-MRXNPFEDSA-N 0 0 393.365 3.352 40 0 GGABRN O=C(c1c[nH]c(=O)c(Cl)c1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225733450 1433367999 /nfs/dbraw/zinc/36/79/99/1433367999.db2.gz LHUBVCFMAFTPOI-LLVKDONJSA-N 0 0 387.745 3.148 40 0 GGABRN O=S(=O)(Cc1ccccc1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225736187 1433368018 /nfs/dbraw/zinc/36/80/18/1433368018.db2.gz LSNWBNQEXRCBDW-OAHLLOKOSA-N 0 0 386.395 3.084 40 0 GGABRN CSc1ncccc1C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000225723873 1433368026 /nfs/dbraw/zinc/36/80/26/1433368026.db2.gz ZFSPPSZBAMNSFJ-UHFFFAOYSA-N 0 0 397.426 3.011 40 0 GGABRN O=C(c1cccc(Cl)c1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000225819810 1433368399 /nfs/dbraw/zinc/36/83/99/1433368399.db2.gz XZNRCLSQTZHCHN-UHFFFAOYSA-N 0 0 397.862 3.413 40 0 GGABRN COc1cccc(NC(=O)N2CCN(C(=O)c3nc4ccccc4s3)CC2)c1 ZINC000226753020 1433368971 /nfs/dbraw/zinc/36/89/71/1433368971.db2.gz IRBOBSMZBFXXPI-UHFFFAOYSA-N 0 0 396.472 3.295 40 0 GGABRN CN(CCO)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccc(Cl)c1Cl ZINC000226817923 1433368980 /nfs/dbraw/zinc/36/89/80/1433368980.db2.gz KHYQQLYISLOMKE-HNNXBMFYSA-N 0 0 396.274 3.188 40 0 GGABRN O=C(CCc1ccccc1)N1CCN(C(=O)c2nc3ccccc3s2)CC1 ZINC000226753859 1433369000 /nfs/dbraw/zinc/36/90/00/1433369000.db2.gz ALOADTCYWWLYAF-UHFFFAOYSA-N 0 0 379.485 3.214 40 0 GGABRN CN(CCO)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccc(Cl)c1Cl ZINC000226817912 1433369053 /nfs/dbraw/zinc/36/90/53/1433369053.db2.gz KHYQQLYISLOMKE-OAHLLOKOSA-N 0 0 396.274 3.188 40 0 GGABRN O=C1NC(=O)c2cc(S(=O)(=O)Nc3ccc(-c4ccccc4)cc3)ccc21 ZINC000226860329 1433369235 /nfs/dbraw/zinc/36/92/35/1433369235.db2.gz URMFSCVJMBQREN-UHFFFAOYSA-N 0 0 378.409 3.038 40 0 GGABRN O=C(COc1nn(-c2ccccc2)cc1Cl)N1CCN(c2ccccc2)CC1 ZINC000227151941 1433369379 /nfs/dbraw/zinc/36/93/79/1433369379.db2.gz HDYUFQNPQLOJSX-UHFFFAOYSA-N 0 0 396.878 3.253 40 0 GGABRN C[C@@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)Nc1cccc(C(N)=O)c1 ZINC000227152904 1433369409 /nfs/dbraw/zinc/36/94/09/1433369409.db2.gz QXDVCLHBWALARK-GFCCVEGCSA-N 0 0 384.823 3.031 40 0 GGABRN CCN1C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)[C@@H]2C(=O)CC(C)(C)C[C@]21O ZINC000229978589 1433372301 /nfs/dbraw/zinc/37/23/01/1433372301.db2.gz WHMFXPAOOPCGBV-DAYGRLMNSA-N 0 0 384.398 3.486 40 0 GGABRN CCOC[C@]1(C(N)=S)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242687340 1433447012 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OTQBAGSNYKRHHM-OOIKZJQMSA-N 0 0 377.440 3.372 40 0 GGABRN C[C@@H]1C(c2ccc(F)cc2)=NO[C@@H]1C(=O)N[C@@H](c1ccnn1C)c1ccccc1 ZINC000247925192 1433756717 /nfs/dbraw/zinc/75/67/17/1433756717.db2.gz ARWGFOJBAHDRBA-IFZYUDKTSA-N 0 0 392.434 3.204 40 0 GGABRN COc1ccccc1CNC(=O)[C@@H]1[C@@H]2CC[C@]3(CC(=O)c4ccccc4O3)[C@@H]21 ZINC000248152305 1433775221 /nfs/dbraw/zinc/77/52/21/1433775221.db2.gz WYDYAXUYIBSKHR-HXGJMTJLSA-N 0 0 377.440 3.372 40 0 GGABRN CC[C@H](C)C(=O)N1[C@H](CC(=O)Nc2ccccc2C)C(=O)N[C@@H]2CCCC[C@H]21 ZINC000251894602 1433861372 /nfs/dbraw/zinc/86/13/72/1433861372.db2.gz PFEJDSSHJVSBDF-JEDBISTDSA-N 0 0 385.508 3.008 40 0 GGABRN COc1ccc(C(=O)CC2(O)CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1 ZINC000252487530 1433863393 /nfs/dbraw/zinc/86/33/93/1433863393.db2.gz HXKHCBIORRZCDE-UHFFFAOYSA-N 0 0 379.453 3.039 40 0 GGABRN CC[C@@H]1C[C@@H]2C(C)=C[C@@H]3CCCC[C@@H]3[C@]2(C)[C@]2(OC(=O)[C@](C)(O)OC2=O)O1 ZINC000252514250 1433863429 /nfs/dbraw/zinc/86/34/29/1433863429.db2.gz BKISVXZMCJBOKR-WLECBXBWSA-N 0 0 378.465 3.079 40 0 biogenic,in-vitro GGABRN C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCc1ccco1)[C@]1(C2)NC(=O)c2ccccc2O1 ZINC000253590079 1433869641 /nfs/dbraw/zinc/86/96/41/1433869641.db2.gz BEYKBFQNJPJKIG-DCZDKMHXSA-N 0 0 380.444 3.241 40 0 GGABRN C[C@@]12CC[C@@H](C[C@H]1C(=O)NCc1cccnc1)[C@]1(C2)NC(=O)c2ccccc2O1 ZINC000253595478 1433869829 /nfs/dbraw/zinc/86/98/29/1433869829.db2.gz FBOMHAVJXKWGTB-OPDBOEGZSA-N 0 0 391.471 3.043 40 0 GGABRN C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1C[C@H]1SC3=NCCN3[C@]12O ZINC000253596189 1433869871 /nfs/dbraw/zinc/86/98/71/1433869871.db2.gz OFMZCVPRTZVTPR-LDMZCOFGSA-N 0 0 390.593 3.476 40 0 GGABRN C[C@@H]1CN(c2ncc(-c3ccc4c(c3)OCO4)c(-c3nccs3)n2)CC[C@H]1O ZINC000253602525 1433870111 /nfs/dbraw/zinc/87/01/11/1433870111.db2.gz PMOOPVDZSRKXFO-IUODEOHRSA-N 0 0 396.472 3.203 40 0 GGABRN CCc1coc(C(=O)N2C[C@@H]3CC[C@@]4(Nc5ccc(C)cc5C(=O)N4)[C@H]3C2)c1C ZINC000253606330 1433870292 /nfs/dbraw/zinc/87/02/92/1433870292.db2.gz HTAFMZOAWHWYKH-CEXJFXJFSA-N 0 0 393.487 3.493 40 0 GGABRN CCOc1ccc(C=c2sc3nc(-c4cccc(C)c4)nn3c2=O)cc1OC ZINC000254516617 1433871476 /nfs/dbraw/zinc/87/14/76/1433871476.db2.gz KZBVJYFOXDRFFB-UHFFFAOYSA-N 0 0 393.468 3.081 40 0 GGABRN Cc1ccccc1-c1nc2sc(=Cc3cccc(Br)c3)c(=O)n2n1 ZINC000254508855 1433871488 /nfs/dbraw/zinc/87/14/88/1433871488.db2.gz YLJXMUNSMPIOSS-UHFFFAOYSA-N 0 0 398.285 3.437 40 0 GGABRN Cc1cccc(-c2nc3sc(=Cc4ccc(Br)cc4)c(=O)n3n2)c1 ZINC000254669035 1433871723 /nfs/dbraw/zinc/87/17/23/1433871723.db2.gz NZRBGLLMVWEPPO-UHFFFAOYSA-N 0 0 398.285 3.437 40 0 GGABRN CCCC[C@@H]1Oc2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2NC1=O ZINC000257173237 1433892971 /nfs/dbraw/zinc/89/29/71/1433892971.db2.gz HGXRZPROGRFPBU-SFHVURJKSA-N 0 0 392.452 3.194 40 0 GGABRN CCOc1cc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SCC)n[n+]32)ccc1O ZINC000261362576 1433895167 /nfs/dbraw/zinc/89/51/67/1433895167.db2.gz LMZBSXCYPFRBDG-GOSISDBHSA-O 0 0 397.480 3.325 40 0 GGABRN CCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@H]1c1ccsc1 ZINC000261364304 1433895173 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