smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(NC(=O)c2c3c(sc2NC(=O)c2ccncc2)CCC3)cc1 ZINC000003100279 817417663 /nfs/dbraw/zinc/41/76/63/817417663.db2.gz DLEVLKZXGXJODP-UHFFFAOYSA-N 0 0 393.468 4.145 40 0 GIABRN CCn1c(COc2cccc(C)c2)nnc1SCC(=O)c1ccc(OC)cc1 ZINC000006169105 817665435 /nfs/dbraw/zinc/66/54/35/817665435.db2.gz CWFLHQYLSSVMEM-UHFFFAOYSA-N 0 0 397.500 4.169 40 0 GIABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000006207920 817667418 /nfs/dbraw/zinc/66/74/18/817667418.db2.gz BSSATDMTIGKQBI-GOSISDBHSA-N 0 0 388.489 4.252 40 0 GIABRN O=C1C[C@@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n2ncnc2N1 ZINC000006225760 817668691 /nfs/dbraw/zinc/66/86/91/817668691.db2.gz FLEUXFXXKPRVSF-INIZCTEOSA-N 0 0 389.242 4.096 40 0 GIABRN O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1ccc(Cl)cc1Cl ZINC000006276457 817672364 /nfs/dbraw/zinc/67/23/64/817672364.db2.gz XBIRIFKFGMZBHN-UHFFFAOYSA-N 0 0 393.251 4.227 40 0 GIABRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3F)C2=O)c1C ZINC000006479090 817697235 /nfs/dbraw/zinc/69/72/35/817697235.db2.gz LNUWLCGQWWHAKD-LICLKQGHSA-N 0 0 384.432 4.118 40 0 GIABRN N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)NC1CCCC1 ZINC000006610064 817709759 /nfs/dbraw/zinc/70/97/59/817709759.db2.gz DOLKATPKZFEQAP-QBFSEMIESA-N 0 0 378.457 4.273 40 0 GIABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)o1 ZINC000006616929 817710996 /nfs/dbraw/zinc/71/09/96/817710996.db2.gz RVEHKIOXPBUEDH-LICLKQGHSA-N 0 0 385.441 4.426 40 0 GIABRN CCCCc1ccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000006652927 817715576 /nfs/dbraw/zinc/71/55/76/817715576.db2.gz SRSKRYLELWFYCP-UHFFFAOYSA-N 0 0 388.533 4.051 40 0 GIABRN CCCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O ZINC000006657343 817716220 /nfs/dbraw/zinc/71/62/20/817716220.db2.gz UXXHINMNIQBWKZ-MHWRWJLKSA-N 0 0 388.401 4.310 40 0 GIABRN CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc3ccccc32)cc1 ZINC000006880351 817720982 /nfs/dbraw/zinc/72/09/82/817720982.db2.gz TWWJYWOZGZMSCQ-UHFFFAOYSA-N 0 0 396.512 4.099 40 0 GIABRN O=C(COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1)Nc1ccccc1 ZINC000006890017 817721886 /nfs/dbraw/zinc/72/18/86/817721886.db2.gz YQVBMACRMHWMNI-UHFFFAOYSA-N 0 0 383.403 4.167 40 0 GIABRN CCOc1cc(C(=S)N2CCCCC2)ccc1OCC(=O)Nc1ccccc1 ZINC000006960897 817729018 /nfs/dbraw/zinc/72/90/18/817729018.db2.gz HYTKTKOMTZPCEO-UHFFFAOYSA-N 0 0 398.528 4.264 40 0 GIABRN Cc1cccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccccc2)c1 ZINC000006967825 817731414 /nfs/dbraw/zinc/73/14/14/817731414.db2.gz UHTQAKRSSLABJG-UHFFFAOYSA-N 0 0 380.517 4.107 40 0 GIABRN CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(CC(=O)O[C@H](C)CC)C1=O ZINC000007070969 817752462 /nfs/dbraw/zinc/75/24/62/817752462.db2.gz FMPGAPGHIZVTFL-BTAWCLGRSA-N 0 0 397.880 4.117 40 0 GIABRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(C(F)(F)F)cc2)C1=O ZINC000007077894 817754741 /nfs/dbraw/zinc/75/47/41/817754741.db2.gz CRTBTUKDJSUEBH-AAIQCTMTSA-N 0 0 387.379 4.083 40 0 GIABRN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 ZINC000007881990 817949469 /nfs/dbraw/zinc/94/94/69/817949469.db2.gz BQBTYLWKYQBVIO-LBPRGKRZSA-N 0 0 393.270 4.384 40 0 GIABRN CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 ZINC000007928373 817961748 /nfs/dbraw/zinc/96/17/48/817961748.db2.gz RFPQBOMNXNQFCN-CYBMUJFWSA-N 0 0 391.254 4.188 40 0 GIABRN Cc1cccc(OC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1C ZINC000007928822 817962450 /nfs/dbraw/zinc/96/24/50/817962450.db2.gz HYCIGRZARJLKHN-AWEZNQCLSA-N 0 0 388.261 4.024 40 0 GIABRN CCOc1ccccc1N1C[C@@H](C(=O)Oc2cc(C)ccc2C(C)C)CC1=O ZINC000007929360 817962937 /nfs/dbraw/zinc/96/29/37/817962937.db2.gz SOGVCOFGKOFAAT-KRWDZBQOSA-N 0 0 381.472 4.476 40 0 GIABRN Cc1cc(NC(=O)COC(=O)/C=C/c2ccccc2)c(C)cc1Br ZINC000007939906 817965746 /nfs/dbraw/zinc/96/57/46/817965746.db2.gz NAEUBHPHPQRWHB-CMDGGOBGSA-N 0 0 388.261 4.261 40 0 GIABRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000008022432 817984695 /nfs/dbraw/zinc/98/46/95/817984695.db2.gz KHFWBQKBOICCGC-HXUWFJFHSA-N 0 0 397.446 4.219 40 0 GIABRN Cc1cccc(N(CCCC(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)c1 ZINC000008041636 817988553 /nfs/dbraw/zinc/98/85/53/817988553.db2.gz KQJHHVHQUSKDAM-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN CCc1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C(C(=O)OC)=C2C)cc1 ZINC000008085655 817996602 /nfs/dbraw/zinc/99/66/02/817996602.db2.gz NPAHAUQSVOSTQE-UYRXBGFRSA-N 0 0 392.411 4.034 40 0 GIABRN COc1ccc2oc(C(=O)Nc3ccccc3I)cc2c1 ZINC000008166302 818010477 /nfs/dbraw/zinc/01/04/77/818010477.db2.gz FXRXVPBJTGYLSC-UHFFFAOYSA-N 0 0 393.180 4.298 40 0 GIABRN O=C(c1ccccc1)N1CCO[C@H](c2ccc(Cc3ccc(F)cc3)cn2)C1 ZINC000019693002 818599563 /nfs/dbraw/zinc/59/95/63/818599563.db2.gz PWIFBKKNEJEKKC-QFIPXVFZSA-N 0 0 376.431 4.025 40 0 GIABRN O=C(CCc1ccccc1)N1CC[C@@H](c2cc(COc3ccc(F)cc3)n[nH]2)C1 ZINC000019704565 818601602 /nfs/dbraw/zinc/60/16/02/818601602.db2.gz QMXRZGYERLMNGS-GOSISDBHSA-N 0 0 393.462 4.077 40 0 GIABRN COc1ccccc1OCc1cc([C@@H]2CCN(C(=O)CCC3CCCC3)C2)[nH]n1 ZINC000019704579 818601770 /nfs/dbraw/zinc/60/17/70/818601770.db2.gz VGDAPTUZDHCNES-GOSISDBHSA-N 0 0 397.519 4.284 40 0 GIABRN O=C(C1CCCC1)N1[C@H](c2cccc(C(F)(F)F)c2)C[C@H]2NC(=O)CCC[C@@H]21 ZINC000019713456 818603405 /nfs/dbraw/zinc/60/34/05/818603405.db2.gz RYFGKSQDIKRIIZ-SQNIBIBYSA-N 0 0 394.437 4.206 40 0 GIABRN CCOc1ccc(NC(=O)c2cc(Br)c(OC)c(OC)c2)cc1 ZINC000033619024 821058390 /nfs/dbraw/zinc/05/83/90/821058390.db2.gz GIZGZPLHUFPNLN-UHFFFAOYSA-N 0 0 380.238 4.117 40 0 GIABRN COc1ccc(/C=C/C(=O)Nc2ccccc2Br)c(OC)c1OC ZINC000033632972 821058621 /nfs/dbraw/zinc/05/86/21/821058621.db2.gz DRQUYKFEFZPEAZ-PKNBQFBNSA-N 0 0 392.249 4.127 40 0 GIABRN O=C(CSc1ccncc1)NCC1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000038671560 821098705 /nfs/dbraw/zinc/09/87/05/821098705.db2.gz DQIZGQQXXPDGEK-UHFFFAOYSA-N 0 0 380.517 4.140 40 0 GIABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc(C)c3C)o2)c1 ZINC000005294504 230840510 /nfs/dbraw/zinc/84/05/10/230840510.db2.gz NDBOTWCRQSHVSG-UHFFFAOYSA-N 0 0 383.473 4.305 40 0 GIABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000222844517 222616310 /nfs/dbraw/zinc/61/63/10/222616310.db2.gz PZWGLIHYPACUTF-MOPGFXCFSA-N 0 0 397.935 4.302 40 0 GIABRN CCn1c(SCc2ccc(C(=O)OC)o2)nnc1-c1cccc(Cl)c1 ZINC000098066027 231003961 /nfs/dbraw/zinc/00/39/61/231003961.db2.gz GWONRLIOJMWUTB-UHFFFAOYSA-N 0 0 377.853 4.290 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222887496 222618348 /nfs/dbraw/zinc/61/83/48/222618348.db2.gz CTGJTVOIXPPQGN-SFHVURJKSA-N 0 0 398.522 4.399 40 0 GIABRN Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1C ZINC000103715671 231014270 /nfs/dbraw/zinc/01/42/70/231014270.db2.gz BSGXMRDOEXAXPB-AWEZNQCLSA-N 0 0 387.277 4.058 40 0 GIABRN COc1ccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1OC ZINC000106783095 231019437 /nfs/dbraw/zinc/01/94/37/231019437.db2.gz DTSIDGWKBUMERU-UYRXBGFRSA-N 0 0 399.468 4.128 40 0 GIABRN CCc1ccc(O[C@H](CC)C(=O)Nc2cc(C(=O)OC)ccc2Cl)cc1 ZINC000222886263 222618723 /nfs/dbraw/zinc/61/87/23/222618723.db2.gz MSWYWGIDRBIRLU-GOSISDBHSA-N 0 0 375.852 4.485 40 0 GIABRN Cc1cc(C)nc(SCC(=O)N2c3ccccc3S[C@@H]3C=CC=C[C@@H]32)n1 ZINC000408544034 231055796 /nfs/dbraw/zinc/05/57/96/231055796.db2.gz RLIBZQZECHVSDW-DOTOQJQBSA-N 0 0 381.526 4.188 40 0 GIABRN Cc1cc(C)nc(SCC(=O)Nc2ccc(Br)c(C)c2C)n1 ZINC000408541343 231054676 /nfs/dbraw/zinc/05/46/76/231054676.db2.gz CJBFMTBNJDTYKQ-UHFFFAOYSA-N 0 0 380.311 4.204 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1C(=O)NC(C)C ZINC000408588142 231069805 /nfs/dbraw/zinc/06/98/05/231069805.db2.gz CQFVSBQTZZMYOG-UHFFFAOYSA-N 0 0 382.485 4.087 40 0 GIABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccc(C)cc2)cc1 ZINC000408674691 231093848 /nfs/dbraw/zinc/09/38/48/231093848.db2.gz BHFRXKWSBHGNMD-UHFFFAOYSA-N 0 0 398.462 4.422 40 0 GIABRN Cc1cc(Br)ccc1NC(=O)C(=O)NC1CCC(C(C)(C)C)CC1 ZINC000408709223 231101520 /nfs/dbraw/zinc/10/15/20/231101520.db2.gz QBIYVOXCGODEMD-UHFFFAOYSA-N 0 0 395.341 4.417 40 0 GIABRN O=C(NCCCCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408709561 231102236 /nfs/dbraw/zinc/10/22/36/231102236.db2.gz UCZBFBXDOJRSSD-UHFFFAOYSA-N 0 0 398.812 4.436 40 0 GIABRN COc1ccc(/C=C/C(=O)NC(=S)Nc2nc3c(s2)c(C)ccc3C)cc1 ZINC000408627833 231087774 /nfs/dbraw/zinc/08/77/74/231087774.db2.gz OEWSXXTXDJBQCL-DHZHZOJOSA-N 0 0 397.525 4.448 40 0 GIABRN COc1ccc(C(=O)N2CCc3ccc(NC(=O)c4ccc(F)cc4)cc32)cc1 ZINC000222946171 222619933 /nfs/dbraw/zinc/61/99/33/222619933.db2.gz HTGUXYYFLSKSHW-UHFFFAOYSA-N 0 0 390.414 4.290 40 0 GIABRN O=S(=O)(NCCSCc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000408907794 231127966 /nfs/dbraw/zinc/12/79/66/231127966.db2.gz SBZXEGLKMQHKPK-UHFFFAOYSA-N 0 0 394.320 4.344 40 0 GIABRN O=S(=O)(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000408906273 231128194 /nfs/dbraw/zinc/12/81/94/231128194.db2.gz FCQVMGNZGFOWJP-UHFFFAOYSA-N 0 0 394.320 4.344 40 0 GIABRN Cc1sc2nc(-c3cc4c(cc3Br)OCO4)[nH]c(=O)c2c1C ZINC000408735121 231107446 /nfs/dbraw/zinc/10/74/46/231107446.db2.gz OFHPKQVWIPJRSN-UHFFFAOYSA-N 0 0 379.235 4.172 40 0 GIABRN COc1cc(OC)c(-c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1Br ZINC000408735660 231107892 /nfs/dbraw/zinc/10/78/92/231107892.db2.gz VUOLDGWXSZKYAF-UHFFFAOYSA-N 0 0 395.278 4.460 40 0 GIABRN O=c1[nH]c(-c2ccc(I)o2)nc2sc3c(c21)CCCC3 ZINC000408735768 231108893 /nfs/dbraw/zinc/10/88/93/231108893.db2.gz XHAMWGLCUHOBRY-UHFFFAOYSA-N 0 0 398.225 4.140 40 0 GIABRN Cc1cc(Br)c(NC(=O)[C@H](C)NC(=O)Oc2ccccc2)cc1C ZINC000408997682 231143553 /nfs/dbraw/zinc/14/35/53/231143553.db2.gz GRTNDIDWGRSIDA-ZDUSSCGKSA-N 0 0 391.265 4.182 40 0 GIABRN C[C@H]1CCCC[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)Oc1ccccc1 ZINC000408998335 231144330 /nfs/dbraw/zinc/14/43/30/231144330.db2.gz LKHNSBAMVDKFPA-WMQCIHAUSA-N 0 0 380.488 4.081 40 0 GIABRN Cc1cccc(C)c1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 ZINC000409169207 231173639 /nfs/dbraw/zinc/17/36/39/231173639.db2.gz VRILPXMIDZMCEY-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN Cc1ccc(OCc2nn(CC(=O)Nc3ccc(C)cc3C)c(=S)o2)cc1 ZINC000409153596 231171815 /nfs/dbraw/zinc/17/18/15/231171815.db2.gz LVVZQKYIUPGCIO-UHFFFAOYSA-N 0 0 383.473 4.349 40 0 GIABRN CCOc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O ZINC000409160733 231172903 /nfs/dbraw/zinc/17/29/03/231172903.db2.gz ZDDPFCNWBNAMPF-LDADJPATSA-N 0 0 396.468 4.069 40 0 GIABRN C[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1ccc(C(C)(C)C)cc1)N2 ZINC000409062454 231152988 /nfs/dbraw/zinc/15/29/88/231152988.db2.gz VECAZDKWKKNVBU-PEELUZDISA-N 0 0 382.426 4.483 40 0 GIABRN Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)o1 ZINC000409373883 231196832 /nfs/dbraw/zinc/19/68/32/231196832.db2.gz IQMADJVPGPAXGV-CXUHLZMHSA-N 0 0 384.457 4.188 40 0 GIABRN Cc1s/c(=N\S(=O)(=O)c2ccc(Cl)cc2)n(C)c1-c1ccccc1 ZINC000409196805 231178585 /nfs/dbraw/zinc/17/85/85/231178585.db2.gz ZBYFKLQFSHGBAZ-ZPHPHTNESA-N 0 0 378.906 4.005 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1 ZINC000222978942 222620878 /nfs/dbraw/zinc/62/08/78/222620878.db2.gz TXDIVWIPUSXSJT-HXUWFJFHSA-N 0 0 396.531 4.016 40 0 GIABRN CCc1s/c(=N\C(=O)c2ccccc2OC)n(C)c1-c1ccc(OC)cc1 ZINC000409205319 231180644 /nfs/dbraw/zinc/18/06/44/231180644.db2.gz PODQJUCXOURHDB-DQRAZIAOSA-N 0 0 382.485 4.074 40 0 GIABRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)c1 ZINC000409309498 231189169 /nfs/dbraw/zinc/18/91/69/231189169.db2.gz IFXCEQGSYXGRSK-LICLKQGHSA-N 0 0 384.432 4.118 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC3CCCC3)ccc2C)c1C ZINC000409381454 231198657 /nfs/dbraw/zinc/19/86/57/231198657.db2.gz MJIMQCYSEFHGGX-UHFFFAOYSA-N 0 0 386.517 4.085 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCC(C)C)ccc2C)c1C ZINC000409411018 231202115 /nfs/dbraw/zinc/20/21/15/231202115.db2.gz SHWAICAPEZCPGU-UHFFFAOYSA-N 0 0 388.533 4.189 40 0 GIABRN CCc1ccc(CC)c(CNS(=O)(=O)c2cc3c(cc2OC)CCCC3)c1 ZINC000223016562 222623444 /nfs/dbraw/zinc/62/34/44/222623444.db2.gz IHQCAZNFIRXSII-UHFFFAOYSA-N 0 0 387.545 4.177 40 0 GIABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CC(C)C)cc3)CC2)cc1 ZINC000020529032 529599085 /nfs/dbraw/zinc/59/90/85/529599085.db2.gz SCQHLXKDJIJLOM-UHFFFAOYSA-N 0 0 393.531 4.196 40 0 GIABRN CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3)o2)cc1 ZINC000409345387 529695023 /nfs/dbraw/zinc/69/50/23/529695023.db2.gz LNCHNKLITDVUHP-UHFFFAOYSA-N 0 0 383.473 4.250 40 0 GIABRN CC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000017282270 290687592 /nfs/dbraw/zinc/68/75/92/290687592.db2.gz XEFQRGKUCOMYSC-ALRWSWPCSA-N 0 0 388.548 4.399 40 0 biogenic,in-vitro GIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 ZINC000224705146 222661413 /nfs/dbraw/zinc/66/14/13/222661413.db2.gz HIELNYSTBOBYJN-GOSISDBHSA-N 0 0 384.545 4.031 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(C(=O)OC)c1C ZINC000224729905 222662718 /nfs/dbraw/zinc/66/27/18/222662718.db2.gz KBGMCLADJMJMSB-OAQYLSRUSA-N 0 0 381.472 4.457 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C ZINC000225280996 222672828 /nfs/dbraw/zinc/67/28/28/222672828.db2.gz OJVMCOKMIBNUDW-NRFANRHFSA-N 0 0 384.495 4.010 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C(F)(F)F)n1 ZINC000329028627 203771324 /nfs/dbraw/zinc/77/13/24/203771324.db2.gz PWDMGVWNHZBMTK-OAHLLOKOSA-N 0 0 396.457 4.387 40 0 GIABRN CCOc1cc(C(=O)OC)cc(Br)c1OCc1ccc(F)cc1 ZINC000216830806 203784231 /nfs/dbraw/zinc/78/42/31/203784231.db2.gz LQDJDOMQKZOAPT-UHFFFAOYSA-N 0 0 383.213 4.353 40 0 GIABRN C[C@]12C[C@H](NC(=O)N1c1cccc(F)c1)c1cc(Br)ccc1O2 ZINC000002498613 203948350 /nfs/dbraw/zinc/94/83/50/203948350.db2.gz TYWAYISRHDWHOJ-YOEHRIQHSA-N 0 0 377.213 4.358 40 0 GIABRN CCOC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCc1ccccc1 ZINC000002556685 203949120 /nfs/dbraw/zinc/94/91/20/203949120.db2.gz NLKZJPKBXYLOAU-FQEVSTJZSA-N 0 0 399.487 4.265 40 0 GIABRN O=C(COC(=O)c1cccs1)Nc1cccc(-c2cnc3ccccc3n2)c1 ZINC000004384738 204042840 /nfs/dbraw/zinc/04/28/40/204042840.db2.gz MXKVLXHFGRXUNK-UHFFFAOYSA-N 0 0 389.436 4.154 40 0 GIABRN CCCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)O[C@H]1CCC[C@H](C)C1 ZINC000004017180 204024447 /nfs/dbraw/zinc/02/44/47/204024447.db2.gz UWLKPEOLZZUAON-DKICVRJWSA-N 0 0 386.492 4.225 40 0 GIABRN COc1cc(Br)cc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1ccccc1 ZINC000004852910 204083487 /nfs/dbraw/zinc/08/34/87/204083487.db2.gz FZUBZHRGWQPSQP-RDTXWAMCSA-N 0 0 389.249 4.227 40 0 GIABRN O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1noc2c1CCCC2 ZINC000004881296 204086243 /nfs/dbraw/zinc/08/62/43/204086243.db2.gz PUWVSUWMMPPMKW-UHFFFAOYSA-N 0 0 391.258 4.357 40 0 aggregator GIABRN CCCCCCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 ZINC000004899575 204088595 /nfs/dbraw/zinc/08/85/95/204088595.db2.gz PCOWLSVYNCFHMS-NRFANRHFSA-N 0 0 399.487 4.353 40 0 GIABRN CCCC[C@@H](CC)C(=O)OCCCNC(=O)[C@@H](C)OC(=O)[C@@H](CC)CCCC ZINC000004429840 204044784 /nfs/dbraw/zinc/04/47/84/204044784.db2.gz PIVXTLFIOLOFOJ-QRVBRYPASA-N 0 0 399.572 4.400 40 0 GIABRN COCCNC(=O)c1ccc2c(c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 ZINC000004537975 204051169 /nfs/dbraw/zinc/05/11/69/204051169.db2.gz QKQXPSNMZNSRTM-JCMXLGDNSA-N 0 0 376.500 4.359 40 0 GIABRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)c(C)c1 ZINC000005092820 204110720 /nfs/dbraw/zinc/11/07/20/204110720.db2.gz XHLBOAOLNLRFDC-VABKMULXSA-N 0 0 398.462 4.355 40 0 GIABRN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2cccc(F)c2)cc1 ZINC000005182888 204118511 /nfs/dbraw/zinc/11/85/11/204118511.db2.gz OBNIBOKYQKRMPN-GIWBLDEGSA-N 0 0 383.463 4.343 40 0 GIABRN Brc1ccc(-c2nnc([C@@H](c3ccccc3)n3ccnc3)o2)cc1 ZINC000005323851 204125795 /nfs/dbraw/zinc/12/57/95/204125795.db2.gz DYUYXRYCKKFVFB-MRXNPFEDSA-N 0 0 381.233 4.333 40 0 GIABRN CC(C)n1c2ccc(C(=O)Nc3ccccc3N3CCCCC3)cc2[nH]c1=O ZINC000004932690 204093808 /nfs/dbraw/zinc/09/38/08/204093808.db2.gz RTOKPKCKHPXLJP-UHFFFAOYSA-N 0 0 378.476 4.153 40 0 GIABRN CC(=O)Nc1ccc(C2=N/C(=C\c3ccc(Cl)c(Cl)c3)C(=O)O2)cc1 ZINC000005722601 204148796 /nfs/dbraw/zinc/14/87/96/204148796.db2.gz BGIQFOXWISVDGS-SXGWCWSVSA-N 0 0 375.211 4.296 40 0 GIABRN COc1ccccc1[C@@H]1c2cc3c(cc2O[C@@](C)(N2CCCC2)[C@@H]1C)OCO3 ZINC000005765755 204149800 /nfs/dbraw/zinc/14/98/00/204149800.db2.gz FAZGJJUOWJTADB-DURYTUKUSA-N 0 0 381.472 4.396 40 0 GIABRN O=C(COc1ccc(Br)cc1Cl)Nc1ccc(F)c(F)c1 ZINC000005829860 204152796 /nfs/dbraw/zinc/15/27/96/204152796.db2.gz URFHBTTXSKTIOU-UHFFFAOYSA-N 0 0 376.584 4.398 40 0 GIABRN CC(C)Oc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc1 ZINC000005842328 204153512 /nfs/dbraw/zinc/15/35/12/204153512.db2.gz PJXKLONDLHRUJY-UHFFFAOYSA-N 0 0 399.516 4.195 40 0 GIABRN Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc2c(c1)OCO2)CCC3 ZINC000035291361 204155594 /nfs/dbraw/zinc/15/55/94/204155594.db2.gz KVAFFDAJVGNUMI-UHFFFAOYSA-N 0 0 392.480 4.491 40 0 GIABRN CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1OCC ZINC000005980494 204159807 /nfs/dbraw/zinc/15/98/07/204159807.db2.gz HVYDHONBCCQSIY-UHFFFAOYSA-N 0 0 384.476 4.265 40 0 GIABRN Cc1ccc(C(=O)NC2CCN(C(=S)Nc3ccccc3Cl)CC2)cc1 ZINC000035310773 204163964 /nfs/dbraw/zinc/16/39/64/204163964.db2.gz LOCDZJUMHQFVIV-UHFFFAOYSA-N 0 0 387.936 4.240 40 0 GIABRN O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccc(Cl)cc1Cl ZINC000006100417 204166030 /nfs/dbraw/zinc/16/60/30/204166030.db2.gz AKRNQKXUWJSNGU-UHFFFAOYSA-N 0 0 381.244 4.169 40 0 GIABRN Cc1ccc([C@H](OC(=O)C2=Cc3ccccc3OC2)C(=O)NC2CCCC2)cc1 ZINC000035312473 204166450 /nfs/dbraw/zinc/16/64/50/204166450.db2.gz KHXXIMDXHCRYBU-QFIPXVFZSA-N 0 0 391.467 4.114 40 0 GIABRN Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C(=O)NCc2ccccc2)cc1 ZINC000035311794 204166680 /nfs/dbraw/zinc/16/66/80/204166680.db2.gz GYYCPSOPOTTZPA-FRIKZZABSA-N 0 0 391.515 4.020 40 0 GIABRN O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000035312230 204166695 /nfs/dbraw/zinc/16/66/95/204166695.db2.gz AZITUHDCKJPPIJ-UHFFFAOYSA-N 0 0 384.495 4.399 40 0 GIABRN CCOc1ccc2c(c1)c1nnc(SCc3nc4ccccc4[nH]3)nc1n2C ZINC000035314401 204166879 /nfs/dbraw/zinc/16/68/79/204166879.db2.gz WVOCKMGLEORCEJ-UHFFFAOYSA-N 0 0 390.472 4.084 40 0 GIABRN O=C(Cc1ccc2[nH]cnc2c1)Nc1ccc(OCc2ccccc2F)cc1 ZINC000035316940 204168891 /nfs/dbraw/zinc/16/88/91/204168891.db2.gz UFHVZFCKTYVQEW-UHFFFAOYSA-N 0 0 375.403 4.462 40 0 GIABRN CCC(=O)Oc1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1 ZINC000005417050 204130253 /nfs/dbraw/zinc/13/02/53/204130253.db2.gz HDLRCPJBNMCYCB-APSNUPSMSA-N 0 0 391.757 4.278 40 0 GIABRN Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1N1CCCCS1(=O)=O ZINC000005439666 204131566 /nfs/dbraw/zinc/13/15/66/204131566.db2.gz VUBLPFBLHPCSLS-UHFFFAOYSA-N 0 0 392.908 4.139 40 0 GIABRN CC[C@@H](OC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccco1 ZINC000005599392 204142007 /nfs/dbraw/zinc/14/20/07/204142007.db2.gz ORJZPHWPLMUBHL-QGZVFWFLSA-N 0 0 392.477 4.154 40 0 GIABRN CCc1ccc(C(=O)CN(c2ccc(OC)c(OC)c2)C2=NCCCS2)cc1 ZINC000006870921 204217241 /nfs/dbraw/zinc/21/72/41/204217241.db2.gz HZAQBFDLPPRIDE-UHFFFAOYSA-N 0 0 398.528 4.448 40 0 GIABRN O=C(CSc1nccc2ccccc21)N1CCN(c2cccc(Cl)c2)CC1 ZINC000006403011 204176575 /nfs/dbraw/zinc/17/65/75/204176575.db2.gz SMUMIGKZQQSGCU-UHFFFAOYSA-N 0 0 397.931 4.329 40 0 GIABRN CC[C@H](CCNC(=O)c1ccc(Cl)cc1)NC(=O)c1ccc(Cl)cc1 ZINC000006555352 204183678 /nfs/dbraw/zinc/18/36/78/204183678.db2.gz LINSMRZNUGPRKT-QGZVFWFLSA-N 0 0 379.287 4.322 40 0 GIABRN Cc1cc(I)cnc1NC(=O)c1cccc2ccccc21 ZINC000006572498 204184697 /nfs/dbraw/zinc/18/46/97/204184697.db2.gz HQROVKZDNCHGMQ-UHFFFAOYSA-N 0 0 388.208 4.400 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(C)cc2C)cc1 ZINC000006629068 204187689 /nfs/dbraw/zinc/18/76/89/204187689.db2.gz DHHPQRSNMMYGBN-UHFFFAOYSA-N 0 0 384.501 4.387 40 0 GIABRN O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(Cl)cc1 ZINC000006885820 204220585 /nfs/dbraw/zinc/22/05/85/204220585.db2.gz IFXNHJLPZQNMOX-UHFFFAOYSA-N 0 0 376.799 4.393 40 0 GIABRN Cc1cc(I)ccc1NC(=O)Cn1ccc2ccccc21 ZINC000006963844 204227447 /nfs/dbraw/zinc/22/74/47/204227447.db2.gz AJEGCEIOPPYKGR-UHFFFAOYSA-N 0 0 390.224 4.193 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccccc3C)c2)cc1 ZINC000007109188 204233508 /nfs/dbraw/zinc/23/35/08/204233508.db2.gz NVKKTJSRSNIQRP-UHFFFAOYSA-N 0 0 394.496 4.034 40 0 GIABRN Cc1ccc(-c2noc(CNC(=O)COc3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000007759426 204248369 /nfs/dbraw/zinc/24/83/69/204248369.db2.gz RTAKGCIQQADIJC-UHFFFAOYSA-N 0 0 379.460 4.038 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)COc3ccc(Cl)c(C)c3)n2)cc1 ZINC000007759476 204248667 /nfs/dbraw/zinc/24/86/67/204248667.db2.gz MQZGPBYYPUEDBD-UHFFFAOYSA-N 0 0 385.851 4.044 40 0 GIABRN COC(=O)c1c(NC(=O)CSc2ccc(OC)cc2)sc2c1CCCC2 ZINC000007790114 204251688 /nfs/dbraw/zinc/25/16/88/204251688.db2.gz KJXQJNGZQURKQR-UHFFFAOYSA-N 0 0 391.514 4.153 40 0 GIABRN [NH2+]=C1N=C(c2cc(Cl)cc(Br)c2[O-])C[C@@H](c2ccccc2)N1 ZINC000008655586 204283138 /nfs/dbraw/zinc/28/31/38/204283138.db2.gz LHDPNKPECLCVAY-ZDUSSCGKSA-N 0 0 378.657 4.057 40 0 GIABRN NC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1 ZINC000008122368 204261823 /nfs/dbraw/zinc/26/18/23/204261823.db2.gz SUUBNGJUZFUXEV-UHFFFAOYSA-N 0 0 383.407 4.360 40 0 GIABRN Cc1c(C)c(NC(=O)COC(=O)c2ccc(F)cc2)ccc1Br ZINC000008272712 204268930 /nfs/dbraw/zinc/26/89/30/204268930.db2.gz KTOWXYREKGXDNP-UHFFFAOYSA-N 0 0 380.213 4.001 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3F)c2)c1 ZINC000008289307 204269067 /nfs/dbraw/zinc/26/90/67/204269067.db2.gz LTNSKGWXOQTSNQ-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN O=C(NCCSCc1ccc(Cl)cc1)c1cccc(N2CCCC2=O)c1 ZINC000008350582 204273501 /nfs/dbraw/zinc/27/35/01/204273501.db2.gz DAXLWNNIQJUZLW-UHFFFAOYSA-N 0 0 388.920 4.130 40 0 GIABRN COc1ccc(C(=O)CN(c2cccc(C)c2)C2=NCCCS2)cc1OC ZINC000008414527 204276938 /nfs/dbraw/zinc/27/69/38/204276938.db2.gz TZFKJZIEZKTUBY-UHFFFAOYSA-N 0 0 384.501 4.194 40 0 GIABRN COc1ccc(S(=O)(=O)NCCC2CCCCCC2)cc1Br ZINC000010543504 204335743 /nfs/dbraw/zinc/33/57/43/204335743.db2.gz CRLARNQISVOAJG-UHFFFAOYSA-N 0 0 390.343 4.097 40 0 GIABRN CC(C)Oc1ccc(CCCNS(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000010543380 204336346 /nfs/dbraw/zinc/33/63/46/204336346.db2.gz NIZYXOIDGMYNJE-UHFFFAOYSA-N 0 0 381.925 4.179 40 0 GIABRN CCOc1cc(CCC(=O)N[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2)on1 ZINC000012162431 204378416 /nfs/dbraw/zinc/37/84/16/204378416.db2.gz CVEIZZRFKMCLQU-YDLSIGKMSA-N 0 0 398.503 4.103 40 0 GIABRN CC(C)C(=O)N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000012183349 204378421 /nfs/dbraw/zinc/37/84/21/204378421.db2.gz AYHAEPGWFHROQG-QAPCUYQASA-N 0 0 393.503 4.147 40 0 GIABRN C[C@@H](Cc1ccc2c(c1)OCO2)c1nc2cnccn2c1NCc1cccs1 ZINC000012113901 204372761 /nfs/dbraw/zinc/37/27/61/204372761.db2.gz KEGOXISWXYZMDH-AWEZNQCLSA-N 0 0 392.484 4.478 40 0 GIABRN COc1ccc2c(c1)N[C@@]1(CCCN(C(=O)[C@H]3CC=CCC3)C1)c1cccn1-2 ZINC000012117305 204373366 /nfs/dbraw/zinc/37/33/66/204373366.db2.gz OESVXDDTYGKPCM-GAJHUEQPSA-N 0 0 377.488 4.085 40 0 GIABRN CCOc1ccccc1-c1nnc(NC(=O)c2ccc3[nH]c(C)nc3c2)s1 ZINC000012143794 204375697 /nfs/dbraw/zinc/37/56/97/204375697.db2.gz WOWDTVVIEVURBL-UHFFFAOYSA-N 0 0 379.445 4.041 40 0 GIABRN CCOc1ccccc1-c1cc(C(=O)N2CCn3c(C)ccc3[C@H]2CC)[nH]n1 ZINC000012147502 204376586 /nfs/dbraw/zinc/37/65/86/204376586.db2.gz NVZRMBZFUSMJFE-LJQANCHMSA-N 0 0 378.476 4.192 40 0 GIABRN CCn1cc(CCC(=O)N2CCC(O)(c3ccc(C)cc3)CC2)c2ccccc21 ZINC000012148668 204376623 /nfs/dbraw/zinc/37/66/23/204376623.db2.gz LKUSTLYOVHWMCI-UHFFFAOYSA-N 0 0 390.527 4.412 40 0 GIABRN CCC[C@@H]1c2cccn2CCN1C(=O)c1cc(-c2ccccc2OCC)n[nH]1 ZINC000012147482 204376985 /nfs/dbraw/zinc/37/69/85/204376985.db2.gz WHPOWCOFCUPORF-HXUWFJFHSA-N 0 0 378.476 4.274 40 0 GIABRN Cc1noc(-c2cnc(NCc3cccs3)nc2-c2cnc(C)cn2)c1C ZINC000012156465 204377228 /nfs/dbraw/zinc/37/72/28/204377228.db2.gz LUKKVYWRBJTIIZ-UHFFFAOYSA-N 0 0 378.461 4.187 40 0 GIABRN COc1ccc(C2(C(=O)NC3(c4ccc5c(c4)OCO5)CCCC3)CC2)cc1 ZINC000012155542 204377465 /nfs/dbraw/zinc/37/74/65/204377465.db2.gz MTXUBAZEHZADMV-UHFFFAOYSA-N 0 0 379.456 4.041 40 0 GIABRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000010969555 204340436 /nfs/dbraw/zinc/34/04/36/204340436.db2.gz NHYWEMBKAOUHCR-QWHCGFSZSA-N 0 0 397.949 4.102 40 0 GIABRN COc1ccc(C(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)cc1OC ZINC000012188037 204379239 /nfs/dbraw/zinc/37/92/39/204379239.db2.gz TVMPFIFHQBOYQA-LJQANCHMSA-N 0 0 376.456 4.272 40 0 GIABRN COc1ccccc1CCNc1ncc(-c2cc(C)no2)c(-c2ccco2)n1 ZINC000012184368 204379303 /nfs/dbraw/zinc/37/93/03/204379303.db2.gz ZQUOUYJVIJAXMK-UHFFFAOYSA-N 0 0 376.416 4.363 40 0 GIABRN c1csc(-c2nc(NC[C@@H]3Cc4ccccc4O3)ncc2-c2cnccn2)c1 ZINC000012184748 204379895 /nfs/dbraw/zinc/37/98/95/204379895.db2.gz DRGKOOQQFYWCCB-HNNXBMFYSA-N 0 0 387.468 4.078 40 0 GIABRN Cc1cc(C(=O)N[C@H](c2ccnn2C)c2ccccc2)c2cccc(Cl)c2n1 ZINC000012194176 204380423 /nfs/dbraw/zinc/38/04/23/204380423.db2.gz RUQHTBRWRHLRAJ-FQEVSTJZSA-N 0 0 390.874 4.450 40 0 GIABRN C[C@@H](C(=O)N[C@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21)c1ccccc1 ZINC000012220871 204384366 /nfs/dbraw/zinc/38/43/66/204384366.db2.gz YRAZIAADJLTQPK-IERDGZPVSA-N 0 0 386.499 4.472 40 0 GIABRN CC(C)C(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C(C)C)cs1 ZINC000012220025 204384548 /nfs/dbraw/zinc/38/45/48/204384548.db2.gz GERJTONWKIVFGY-UHFFFAOYSA-N 0 0 385.533 4.364 40 0 GIABRN CCOc1ccc2cc3c(nc2c1)OC(=O)N(CCc1ccc(OC)cc1)C3 ZINC000012222209 204385629 /nfs/dbraw/zinc/38/56/29/204385629.db2.gz OGXXQZXINRPCEC-UHFFFAOYSA-N 0 0 378.428 4.199 40 0 GIABRN O=C(CCCc1ccccc1)N1CCC(c2cc3ncccc3c(=O)[nH]2)CC1 ZINC000012232197 204386264 /nfs/dbraw/zinc/38/62/64/204386264.db2.gz FCLWVRXHNLGBST-UHFFFAOYSA-N 0 0 375.472 4.064 40 0 GIABRN O=C(c1cc2cccc(F)c2[nH]1)N1CCC[C@@H]([C@H]2CC(=O)c3ccccc3O2)C1 ZINC000012237024 204386559 /nfs/dbraw/zinc/38/65/59/204386559.db2.gz OYSMCDZFGNTWMJ-QVKFZJNVSA-N 0 0 392.430 4.193 40 0 GIABRN O=C(c1cc2cccc(F)c2[nH]1)N1CCC[C@@H]([C@@H]2CC(=O)c3ccccc3O2)C1 ZINC000012237018 204386775 /nfs/dbraw/zinc/38/67/75/204386775.db2.gz OYSMCDZFGNTWMJ-VFNWGFHPSA-N 0 0 392.430 4.193 40 0 GIABRN CCOc1ccc2[nH]c(C(=O)N3CCC[C@](O)(c4ccc(F)cc4)CC3)cc2c1 ZINC000012251699 204387373 /nfs/dbraw/zinc/38/73/73/204387373.db2.gz GFPWXSPYCJEQIT-HSZRJFAPSA-N 0 0 396.462 4.220 40 0 GIABRN Cc1cc(-c2cnn(CCNC(=O)C3CCCCC3)c2-c2cccs2)on1 ZINC000012258630 204387403 /nfs/dbraw/zinc/38/74/03/204387403.db2.gz XSJPIXLSVAERQZ-UHFFFAOYSA-N 0 0 384.505 4.272 40 0 GIABRN Cc1cnc(-c2nc(C3CCN(Cc4ccc(Cl)c(F)c4)CC3)no2)cn1 ZINC000012337380 204398219 /nfs/dbraw/zinc/39/82/19/204398219.db2.gz HQMGANGBRPIKRC-UHFFFAOYSA-N 0 0 387.846 4.007 40 0 GIABRN Cc1ccsc1C(=O)N[C@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21 ZINC000013227770 204485721 /nfs/dbraw/zinc/48/57/21/204485721.db2.gz PUNUWFDNWXLEGF-KRWDZBQOSA-N 0 0 378.501 4.352 40 0 GIABRN C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000014004459 204520774 /nfs/dbraw/zinc/52/07/74/204520774.db2.gz YDOXLGCMQXPVQU-GOSISDBHSA-N 0 0 388.467 4.065 40 0 GIABRN Cc1noc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)N[C@H]3CCCC[C@@H]3C)c12 ZINC000036618349 204567211 /nfs/dbraw/zinc/56/72/11/204567211.db2.gz RSGJQYWYBOTDGA-LRDDRELGSA-N 0 0 393.443 4.235 40 0 GIABRN O=C(COc1ccc(Br)cc1)NCCSCc1ccccc1F ZINC000018160633 204616931 /nfs/dbraw/zinc/61/69/31/204616931.db2.gz XHHGZCHWIXNNDJ-UHFFFAOYSA-N 0 0 398.297 4.017 40 0 GIABRN Cc1ccccc1NC(=O)Cn1nc(-c2ccccc2)n(-n2cccc2)c1=S ZINC000016777767 204600393 /nfs/dbraw/zinc/60/03/93/204600393.db2.gz QTGCKUFTJUUOLS-UHFFFAOYSA-N 0 0 389.484 4.141 40 0 GIABRN Cc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3Cc2ccccc2Cl)on1 ZINC000019120013 204626206 /nfs/dbraw/zinc/62/62/06/204626206.db2.gz KANKZJWUGWDPEO-QGZVFWFLSA-N 0 0 398.894 4.325 40 0 GIABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)C3CCCCC3)C1)N2 ZINC000019127568 204627110 /nfs/dbraw/zinc/62/71/10/204627110.db2.gz UDBMEGBISFJZLT-IXDOHACOSA-N 0 0 380.483 4.001 40 0 GIABRN Cn1cc(CCNC(=O)c2c[nH]nc2-c2ccccc2)c2cc(Cl)ccc21 ZINC000019663400 204670502 /nfs/dbraw/zinc/67/05/02/204670502.db2.gz CGUGLGZIKZVMAO-UHFFFAOYSA-N 0 0 378.863 4.194 40 0 GIABRN CC(C)C(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2cccc(Cl)c2)C1 ZINC000019694530 204672181 /nfs/dbraw/zinc/67/21/81/204672181.db2.gz WVZNRQXQDUTJRF-INIZCTEOSA-N 0 0 386.927 4.225 40 0 GIABRN Cc1ccc(-c2cc(C(=O)NCC3(c4cccc(F)c4)CCOCC3)no2)cc1 ZINC000019715055 204675085 /nfs/dbraw/zinc/67/50/85/204675085.db2.gz QXUMNNYDDBQKJP-UHFFFAOYSA-N 0 0 394.446 4.267 40 0 GIABRN CCc1ccc(C(=O)N[C@H](C)Cn2c(C(F)(F)F)cc3cccnc32)cc1 ZINC000019522869 204649610 /nfs/dbraw/zinc/64/96/10/204649610.db2.gz GLQKNCWFKXAYLL-CYBMUJFWSA-N 0 0 375.394 4.436 40 0 GIABRN Cc1sc(NC(=O)COc2ccc3c(c2)OCO3)nc1-c1ccc(F)cc1 ZINC000019555570 204654329 /nfs/dbraw/zinc/65/43/29/204654329.db2.gz SGUDMZBZICUYSV-UHFFFAOYSA-N 0 0 386.404 4.004 40 0 GIABRN O=c1c2cnc(N3CCCCC3)nc2ccn1-c1cc(Cl)cc(Cl)c1 ZINC000019958897 204696089 /nfs/dbraw/zinc/69/60/89/204696089.db2.gz SPAMMCJBMPKPIP-UHFFFAOYSA-N 0 0 375.259 4.078 40 0 GIABRN CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2cccc(C)c2)cc1OC ZINC000020104688 204700274 /nfs/dbraw/zinc/70/02/74/204700274.db2.gz FVDMUMAEMDENDV-FQEVSTJZSA-N 0 0 385.504 4.309 40 0 GIABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c1 ZINC000020152180 204704415 /nfs/dbraw/zinc/70/44/15/204704415.db2.gz YVQSLAQEUMAKSI-UHFFFAOYSA-N 0 0 394.496 4.491 40 0 GIABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccccc1F ZINC000020151701 204704685 /nfs/dbraw/zinc/70/46/85/204704685.db2.gz SJAMADJTHFGJGY-UHFFFAOYSA-N 0 0 384.432 4.013 40 0 GIABRN COP(=O)(OC)[C@@H](/C=C(\Cl)c1ccc(Br)cc1)N(C)C ZINC000034856652 204978316 /nfs/dbraw/zinc/97/83/16/204978316.db2.gz YVEJBTKPGUBQGI-SUIFULHWSA-N 0 0 382.622 4.402 40 0 GIABRN CCc1c(C)nc2n(c1=O)CN(Cc1ccc(Cl)cc1)CN2c1ccccc1 ZINC000036128092 205007176 /nfs/dbraw/zinc/00/71/76/205007176.db2.gz SLADPOQVVLZITC-UHFFFAOYSA-N 0 0 394.906 4.336 40 0 GIABRN O=c1nc2n(c3c1cnn3-c1ccccc1)[C@@H](CSc1ccccc1)CS2 ZINC000036636127 205019551 /nfs/dbraw/zinc/01/95/51/205019551.db2.gz APVIJRCVXOFMNY-HNNXBMFYSA-N 0 0 392.509 4.021 40 0 GIABRN Cc1cc(I)c(Br)cc1Br ZINC000067796565 205021412 /nfs/dbraw/zinc/02/14/12/205021412.db2.gz UKKKSMIDLRZZLF-UHFFFAOYSA-N 0 0 375.829 4.125 40 0 GIABRN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nnc(CCc2ccccc2)s1 ZINC000036752285 205021672 /nfs/dbraw/zinc/02/16/72/205021672.db2.gz XAOJEWXDYPZSOD-UHFFFAOYSA-N 0 0 392.406 4.298 40 0 GIABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000038752789 205037436 /nfs/dbraw/zinc/03/74/36/205037436.db2.gz XQSFNHXAPZHTEW-FQEVSTJZSA-N 0 0 393.483 4.373 40 0 GIABRN CN(C(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)C1CCCC1 ZINC000038753355 205037743 /nfs/dbraw/zinc/03/77/43/205037743.db2.gz BXBLWVFBJVJQDT-QHCPKHFHSA-N 0 0 394.540 4.475 40 0 GIABRN CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)COc1ccc(OC)cc1 ZINC000038755437 205038500 /nfs/dbraw/zinc/03/85/00/205038500.db2.gz UIHQJXLEJZPADE-KSSFIOAISA-N 0 0 377.868 4.090 40 0 GIABRN CC[C@H](Oc1ccccc1C)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000038756309 205038502 /nfs/dbraw/zinc/03/85/02/205038502.db2.gz TVJYBGKVLCTYGD-XAYKGCCJSA-N 0 0 378.516 4.010 40 0 GIABRN COc1cccc([C@H]2c3cc4c(cc3O[C@@](C)(N3CCCC3)[C@H]2C)OCO4)c1 ZINC000039580066 205043807 /nfs/dbraw/zinc/04/38/07/205043807.db2.gz LUELUYBCCRBFBS-UQDCGMOVSA-N 0 0 381.472 4.396 40 0 GIABRN O=C(Cn1ccc(=O)c2cc(Cl)ccc21)Nc1ccccc1Br ZINC000039963298 205044058 /nfs/dbraw/zinc/04/40/58/205044058.db2.gz SKCYLYDNZRXPGT-UHFFFAOYSA-N 0 0 391.652 4.056 40 0 GIABRN CCN(CC(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000039986755 205046227 /nfs/dbraw/zinc/04/62/27/205046227.db2.gz GORXNOSTXXFVPL-UHFFFAOYSA-N 0 0 396.512 4.106 40 0 GIABRN CC(C)(C)OC(=O)N1CCC[C@@H](CNc2nc3ccccc3nc2Cl)C1 ZINC000040434393 205065747 /nfs/dbraw/zinc/06/57/47/205065747.db2.gz YRVZVURHHYSPTM-ZDUSSCGKSA-N 0 0 376.888 4.342 40 0 GIABRN COc1ccccc1CN(C)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000044903607 205089388 /nfs/dbraw/zinc/08/93/88/205089388.db2.gz BOYSTJFQOFVHTA-UHFFFAOYSA-N 0 0 383.469 4.308 40 0 GIABRN CC1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)CC1 ZINC000044900910 205089568 /nfs/dbraw/zinc/08/95/68/205089568.db2.gz VFYRWXNEKYOLJN-UHFFFAOYSA-N 0 0 392.908 4.013 40 0 GIABRN Cc1nc2ccccc2n1S(=O)(=O)c1cc(Cl)c(C)cc1Br ZINC000054363148 205140347 /nfs/dbraw/zinc/14/03/47/205140347.db2.gz XIXJOUHQCAPKNB-UHFFFAOYSA-N 0 0 399.697 4.306 40 0 GIABRN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1OC ZINC000057180674 205154976 /nfs/dbraw/zinc/15/49/76/205154976.db2.gz OAIDNLBIKBVIAQ-UHFFFAOYSA-N 0 0 375.852 4.044 40 0 GIABRN O=C(CSCc1cccc(Cl)c1)NCc1nc(-c2cccs2)no1 ZINC000065778546 205240149 /nfs/dbraw/zinc/24/01/49/205240149.db2.gz AKELKPXAEXJHTM-UHFFFAOYSA-N 0 0 379.894 4.001 40 0 GIABRN O=C(N1CCC[C@H](c2nccs2)C1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000067048417 205241910 /nfs/dbraw/zinc/24/19/10/205241910.db2.gz UKQLOUFJGWQQFB-HNNXBMFYSA-N 0 0 390.936 4.251 40 0 GIABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2nc(-c3cccs3)no2)c1 ZINC000068018108 205270639 /nfs/dbraw/zinc/27/06/39/205270639.db2.gz WXXXAFFFBWXJOD-CQSZACIVSA-N 0 0 385.489 4.314 40 0 GIABRN COC(=O)c1cc(NC(=O)Cc2cccc(Br)c2)ccc1Cl ZINC000072064091 205303832 /nfs/dbraw/zinc/30/38/32/205303832.db2.gz DKDSBVSIMASAPC-UHFFFAOYSA-N 0 0 382.641 4.070 40 0 GIABRN Cc1ccc(OCCCNc2ncc(-c3cnccn3)c(-c3ccco3)n2)cc1 ZINC000072338707 205328105 /nfs/dbraw/zinc/32/81/05/205328105.db2.gz KHZIETUBWQUSFW-UHFFFAOYSA-N 0 0 387.443 4.383 40 0 GIABRN O=C(CC1CCCCC1)N1CCC(Cn2nc(-c3cccs3)ccc2=O)CC1 ZINC000072335430 205328232 /nfs/dbraw/zinc/32/82/32/205328232.db2.gz JINUJHXOLBDEMQ-UHFFFAOYSA-N 0 0 399.560 4.181 40 0 GIABRN CNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)CC(C)C)CC1 ZINC000072345050 205329229 /nfs/dbraw/zinc/32/92/29/205329229.db2.gz GVRABTXUZRQQLF-UHFFFAOYSA-N 0 0 398.572 4.359 40 0 GIABRN CNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C2CCC2)CC1 ZINC000072345274 205329428 /nfs/dbraw/zinc/32/94/28/205329428.db2.gz QKDMWEVULOHLRW-UHFFFAOYSA-N 0 0 396.556 4.113 40 0 GIABRN Cn1cc(-c2ccncc2)c(-c2cccc(CNC(=O)c3cccc(F)c3)c2)n1 ZINC000072345005 205329433 /nfs/dbraw/zinc/32/94/33/205329433.db2.gz OJLNIJYEGVFVMS-UHFFFAOYSA-N 0 0 386.430 4.218 40 0 GIABRN CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)C2CC2)CC1 ZINC000072345176 205329610 /nfs/dbraw/zinc/32/96/10/205329610.db2.gz YFCBEUWRLGGSKF-UHFFFAOYSA-N 0 0 396.556 4.113 40 0 GIABRN O=C(c1cccnc1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072349111 205330417 /nfs/dbraw/zinc/33/04/17/205330417.db2.gz NWYJAKQKKWWKMH-IBGZPJMESA-N 0 0 375.447 4.226 40 0 GIABRN O=C(Cc1ccccn1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072349486 205330437 /nfs/dbraw/zinc/33/04/37/205330437.db2.gz FWDYAKVFMOFGOG-IBGZPJMESA-N 0 0 389.474 4.155 40 0 GIABRN O=C(c1cnccn1)N1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072349223 205330553 /nfs/dbraw/zinc/33/05/53/205330553.db2.gz APGPUBXPFPDOOL-QGZVFWFLSA-N 0 0 392.890 4.136 40 0 GIABRN O=C(Cc1ccncc1)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072349420 205330930 /nfs/dbraw/zinc/33/09/30/205330930.db2.gz URUALURNSZSIFP-LJQANCHMSA-N 0 0 375.447 4.231 40 0 GIABRN COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4coc(C)n4)C3)n2)c1 ZINC000072350451 205330935 /nfs/dbraw/zinc/33/09/35/205330935.db2.gz GTSKXWZUKCSKLU-QGZVFWFLSA-N 0 0 377.444 4.073 40 0 GIABRN O=C(Cc1ccccn1)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 ZINC000072349488 205331463 /nfs/dbraw/zinc/33/14/63/205331463.db2.gz CTHVNAPZVLCFSX-UHFFFAOYSA-N 0 0 389.474 4.155 40 0 GIABRN Cc1ncsc1C(=O)N1CCC[C@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 ZINC000072354879 205331882 /nfs/dbraw/zinc/33/18/82/205331882.db2.gz TVZBMKLKFKXXJX-HNNXBMFYSA-N 0 0 399.907 4.121 40 0 GIABRN O=C(c1cccc2ncccc21)N1CCC[C@H]1c1ccc(Nc2cnccn2)cn1 ZINC000072353077 205332354 /nfs/dbraw/zinc/33/23/54/205332354.db2.gz QHBQAFAIEYQNKZ-NRFANRHFSA-N 0 0 396.454 4.141 40 0 GIABRN O=C(Cc1cccnc1)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072357904 205333391 /nfs/dbraw/zinc/33/33/91/205333391.db2.gz NFARRTGBZYAGHJ-QFIPXVFZSA-N 0 0 375.447 4.113 40 0 GIABRN O=C(Cc1ccncc1)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358844 205333756 /nfs/dbraw/zinc/33/37/56/205333756.db2.gz HJQAEZKDCDNFCR-SFHVURJKSA-N 0 0 392.890 4.141 40 0 GIABRN O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 ZINC000072358477 205333800 /nfs/dbraw/zinc/33/38/00/205333800.db2.gz YKGUZKLDAJIUSM-MRXNPFEDSA-N 0 0 379.410 4.442 40 0 GIABRN Cn1nccc1C(=O)N1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1 ZINC000072358143 205334387 /nfs/dbraw/zinc/33/43/87/205334387.db2.gz JZXJSGYEMPLCGP-IBGZPJMESA-N 0 0 380.879 4.037 40 0 GIABRN Cc1nc(C(=O)N2CCC[C@@H](c3nccnc3Oc3ccc(Cl)cc3)C2)co1 ZINC000072363269 205335709 /nfs/dbraw/zinc/33/57/09/205335709.db2.gz HVTPTZNKDDCNMV-CQSZACIVSA-N 0 0 398.850 4.239 40 0 GIABRN CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1Cc1ncc[nH]1 ZINC000072370649 205335927 /nfs/dbraw/zinc/33/59/27/205335927.db2.gz QTLLLPDIZIHPTE-INIZCTEOSA-N 0 0 396.560 4.314 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nccnc3Oc3ccc(C)cc3)C2)o1 ZINC000072362704 205336292 /nfs/dbraw/zinc/33/62/92/205336292.db2.gz VXRVGOXXQXAMQT-QGZVFWFLSA-N 0 0 392.459 4.202 40 0 GIABRN CC(=O)N1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NCC(F)F ZINC000072370781 205336566 /nfs/dbraw/zinc/33/65/66/205336566.db2.gz HZCOZFWHJONKOV-CQSZACIVSA-N 0 0 394.487 4.230 40 0 GIABRN Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCCN2C(=O)c2ccc(F)cc2)n1 ZINC000072376808 205337837 /nfs/dbraw/zinc/33/78/37/205337837.db2.gz JEZZWJBLMDOJCN-LJQANCHMSA-N 0 0 394.425 4.371 40 0 GIABRN Nc1ncc(-c2ccccc2)c([C@H]2CCCCN2C(=O)CCc2ccccc2)n1 ZINC000072376901 205338663 /nfs/dbraw/zinc/33/86/63/205338663.db2.gz VHNRDVKGGLIJFP-OAQYLSRUSA-N 0 0 386.499 4.412 40 0 GIABRN O=C(C1CCCCC1)N1CCC[C@@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000072383437 205338893 /nfs/dbraw/zinc/33/88/93/205338893.db2.gz FENUMOPMKGWCEP-HNNXBMFYSA-N 0 0 385.537 4.038 40 0 GIABRN O=C(c1ccccc1)N1CCC[C@@H]1c1cc(CCOc2ccccc2F)n[nH]1 ZINC000072378309 205339090 /nfs/dbraw/zinc/33/90/90/205339090.db2.gz TZKXFRAKUDECFT-HXUWFJFHSA-N 0 0 379.435 4.148 40 0 GIABRN O=C(CCOc1ccccc1)N1CCC[C@@H]1c1n[nH]cc1-c1ccc(F)cc1 ZINC000072380399 205339469 /nfs/dbraw/zinc/33/94/69/205339469.db2.gz HGAIKLNMGCYRQW-HXUWFJFHSA-N 0 0 379.435 4.348 40 0 GIABRN Cc1ncsc1C(=O)N1CCC[C@@H](c2cccc(-n3ccnc3C(C)C)n2)C1 ZINC000072379047 205339660 /nfs/dbraw/zinc/33/96/60/205339660.db2.gz SGVQTCGONCUHCW-MRXNPFEDSA-N 0 0 395.532 4.175 40 0 GIABRN Cc1ccc(Nc2nccc([C@@H]3CCCN3C(=O)c3ccc(F)cc3)n2)nc1 ZINC000072377517 205339749 /nfs/dbraw/zinc/33/97/49/205339749.db2.gz FXFSQFCVEZHOHF-SFHVURJKSA-N 0 0 377.423 4.040 40 0 GIABRN Cc1ncsc1C(=O)N1CCC[C@@H]1c1cccc(-n2ccnc2C(C)C)n1 ZINC000072379040 205340040 /nfs/dbraw/zinc/34/00/40/205340040.db2.gz CSANSDSDTMOQBR-MRXNPFEDSA-N 0 0 381.505 4.133 40 0 GIABRN CCC(CC)C(=O)N1CC[C@](Cc2ccccc2-c2cccc(C)c2)(C(N)=O)C1 ZINC000072391072 205340814 /nfs/dbraw/zinc/34/08/14/205340814.db2.gz IKBNEFVTZNVUQI-RUZDIDTESA-N 0 0 392.543 4.345 40 0 GIABRN O=C(c1ccsc1)N1CCC[C@H](c2nnc(-c3nccc4ccccc43)o2)C1 ZINC000072390112 205341086 /nfs/dbraw/zinc/34/10/86/205341086.db2.gz MUPABKILSYEOEO-HNNXBMFYSA-N 0 0 390.468 4.366 40 0 GIABRN CCn1nc(C)c(-c2cncn2CC2(c3cccc(C)c3)CCOCC2)c1C ZINC000072391887 205341225 /nfs/dbraw/zinc/34/12/25/205341225.db2.gz QBRGRIQTINDCOA-UHFFFAOYSA-N 0 0 378.520 4.440 40 0 GIABRN Cc1nc(C(=O)N2CCCC[C@H]2c2nc(C)cc(Oc3ccccc3F)n2)co1 ZINC000072384493 205341374 /nfs/dbraw/zinc/34/13/74/205341374.db2.gz CMXFKSJJIFHKTP-KRWDZBQOSA-N 0 0 396.422 4.380 40 0 GIABRN Cc1cccc(-c2ccc(C[C@H]3CN(C(=O)c4ccccc4)CCNC3=O)cc2)c1 ZINC000072391036 205342407 /nfs/dbraw/zinc/34/24/07/205342407.db2.gz TYEOEJCSPZOEPW-DEOSSOPVSA-N 0 0 398.506 4.093 40 0 GIABRN COc1ccc(NCc2cc3cc(NC(=O)C(C)(C)C)ccc3[nH]c2=O)cc1 ZINC000072396181 205343087 /nfs/dbraw/zinc/34/30/87/205343087.db2.gz SJZWFGWHKYFEJA-UHFFFAOYSA-N 0 0 379.460 4.133 40 0 GIABRN Cc1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccc(Cl)cc2)cn1 ZINC000072396982 205344363 /nfs/dbraw/zinc/34/43/63/205344363.db2.gz IQXHHTUFLPXOGF-IBGZPJMESA-N 0 0 380.879 4.096 40 0 GIABRN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1cccc(C)c1 ZINC000082086746 205385295 /nfs/dbraw/zinc/38/52/95/205385295.db2.gz LNDDZCMBAPJUKG-JOCHJYFZSA-N 0 0 377.488 4.497 40 0 GIABRN Cc1cc(OCC(=O)NCc2ccccc2)c2cc(Br)ccc2n1 ZINC000084741150 205398500 /nfs/dbraw/zinc/39/85/00/205398500.db2.gz AYMPBNKUIKAENG-UHFFFAOYSA-N 0 0 385.261 4.001 40 0 GIABRN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc2c(c1)CCCC2 ZINC000222935611 205414964 /nfs/dbraw/zinc/41/49/64/205414964.db2.gz QNMYUHVLPBXBGW-ZDUSSCGKSA-N 0 0 394.334 4.367 40 0 GIABRN CC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21 ZINC000096052639 205519509 /nfs/dbraw/zinc/51/95/09/205519509.db2.gz HRQKCWDZGTYGEN-GOSISDBHSA-N 0 0 396.556 4.324 40 0 GIABRN O=C(c1cccc(C(F)(F)F)c1)N1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC000096077550 205522806 /nfs/dbraw/zinc/52/28/06/205522806.db2.gz SWNYKBYQNVDTOC-SFHVURJKSA-N 0 0 394.418 4.036 40 0 GIABRN CC(=O)N1CCC2(CCCN(C(=O)c3ccccc3-c3ccccc3)C2)CC1 ZINC000096156887 205536437 /nfs/dbraw/zinc/53/64/37/205536437.db2.gz BAIGLNIGDVWCBM-UHFFFAOYSA-N 0 0 376.500 4.218 40 0 GIABRN COc1cccc(-c2ccc3c([C@@H]4CCCN4Cc4cc(C)on4)nnn3c2)c1 ZINC000096267927 205554680 /nfs/dbraw/zinc/55/46/80/205554680.db2.gz HVUMUMCWLUKVRV-FQEVSTJZSA-N 0 0 389.459 4.038 40 0 GIABRN CCOc1cccc2sc(NC(=O)CC[C@H]3C(=O)Nc4ccccc43)nc21 ZINC000100778570 205611192 /nfs/dbraw/zinc/61/11/92/205611192.db2.gz MNKRYSXELLULMX-CYBMUJFWSA-N 0 0 381.457 4.150 40 0 GIABRN COc1ccc(OCc2cc(=O)n3nc(-c4ccccc4OC)c(C)c3[nH]2)cc1 ZINC000100776362 205611912 /nfs/dbraw/zinc/61/19/12/205611912.db2.gz QBAOWGMHNBNRQX-UHFFFAOYSA-N 0 0 391.427 4.007 40 0 GIABRN COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)Cc1ccccc1 ZINC000001324383 205708656 /nfs/dbraw/zinc/70/86/56/205708656.db2.gz MWFQAWHBNCZMRA-UHFFFAOYSA-N 0 0 396.468 4.199 40 0 GIABRN COC(=O)c1cc(Cl)c(OCc2ccc(Br)cc2)c(OC)c1 ZINC000226329236 205688181 /nfs/dbraw/zinc/68/81/81/205688181.db2.gz VAWKTZBSQCKZJU-UHFFFAOYSA-N 0 0 385.641 4.477 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1 ZINC000138242339 205697002 /nfs/dbraw/zinc/69/70/02/205697002.db2.gz JKLDVYIWPIDKOG-UHFFFAOYSA-N 0 0 377.444 4.141 40 0 GIABRN Cc1ccc(C(=O)N(Cc2cc3cccc(C)c3n3nnnc23)C2CCCC2)cc1 ZINC000001376715 205713767 /nfs/dbraw/zinc/71/37/67/205713767.db2.gz LYCGDYFHQJACCG-UHFFFAOYSA-N 0 0 399.498 4.479 40 0 GIABRN O=C(COC(=O)c1cc2ccccc2oc1=O)c1ccc(Cl)cc1Cl ZINC000000890413 205702060 /nfs/dbraw/zinc/70/20/60/205702060.db2.gz HVMIZRQHBPLDKI-UHFFFAOYSA-N 0 0 377.179 4.140 40 0 GIABRN COc1ccc2c(cc(C)c3nnc(SCC(=O)N4[C@H](C)CCC[C@H]4C)n32)c1 ZINC000000928493 205702583 /nfs/dbraw/zinc/70/25/83/205702583.db2.gz LVWLMARHOBDLCB-HUUCEWRRSA-N 0 0 398.532 4.081 40 0 GIABRN C[C@@H]1CCc2c(sc3ncnc(SCC(=O)N4CCc5ccccc54)c32)C1 ZINC000000928900 205703094 /nfs/dbraw/zinc/70/30/94/205703094.db2.gz QFSKZTYNNLBCBM-CYBMUJFWSA-N 0 0 395.553 4.498 40 0 GIABRN Cc1sc2nc(C(C)C)n3c(SCC(=O)OC(C)C)nnc3c2c1C ZINC000004848136 205751041 /nfs/dbraw/zinc/75/10/41/205751041.db2.gz XOCUIEYBHBYEIK-UHFFFAOYSA-N 0 0 378.523 4.123 40 0 GIABRN COc1ccccc1-n1c(CNc2cccc(C)c2C)nnc1SCC(C)=O ZINC000004923116 205757912 /nfs/dbraw/zinc/75/79/12/205757912.db2.gz ONDHRUKORMFFGE-UHFFFAOYSA-N 0 0 396.516 4.186 40 0 GIABRN COc1cccc(/C=C2/N=C(c3ccco3)OC2=O)c1OCc1ccccc1 ZINC000005000792 205758142 /nfs/dbraw/zinc/75/81/42/205758142.db2.gz LFIPIUSVSDZBCE-GHRIWEEISA-N 0 0 375.380 4.212 40 0 GIABRN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cccc(O)c1)S[C@H](C)C(=O)N2 ZINC000006679047 205781412 /nfs/dbraw/zinc/78/14/12/205781412.db2.gz ZWNJSFAIHDFWSJ-KUHUBIRLSA-N 0 0 379.485 4.358 40 0 GIABRN COC(=O)c1ccc2nc(NC(=O)CSc3ccc(Cl)cc3)sc2c1 ZINC000005191633 205818322 /nfs/dbraw/zinc/81/83/22/205818322.db2.gz JLBZQILQORKEOR-UHFFFAOYSA-N 0 0 392.889 4.467 40 0 GIABRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000012928326 205882961 /nfs/dbraw/zinc/88/29/61/205882961.db2.gz DOQFKGRGAUALFQ-YRNRMSPPSA-N 0 0 392.499 4.157 40 0 GIABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 ZINC000219329549 205954999 /nfs/dbraw/zinc/95/49/99/205954999.db2.gz NNKWXDRJARFWKM-OAHLLOKOSA-N 0 0 389.452 4.143 40 0 GIABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000219304251 205955268 /nfs/dbraw/zinc/95/52/68/205955268.db2.gz LJUURBJHNPWSAM-OAHLLOKOSA-N 0 0 399.878 4.399 40 0 GIABRN CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219371943 205957103 /nfs/dbraw/zinc/95/71/03/205957103.db2.gz ANDWJEHNVVWTIA-KRWDZBQOSA-N 0 0 399.878 4.481 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(C)cc3C)n2)c1 ZINC000219537909 205957451 /nfs/dbraw/zinc/95/74/51/205957451.db2.gz FFWGATKTKSDOFL-KRWDZBQOSA-N 0 0 379.460 4.088 40 0 GIABRN CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219566145 205958058 /nfs/dbraw/zinc/95/80/58/205958058.db2.gz SOBTWZPPKDJCLB-ZWKOTPCHSA-N 0 0 399.487 4.280 40 0 GIABRN CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3)c2)CC1 ZINC000219993435 205967377 /nfs/dbraw/zinc/96/73/77/205967377.db2.gz VCIUFZLUHZMBRP-UHFFFAOYSA-N 0 0 392.908 4.013 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222747994 205986697 /nfs/dbraw/zinc/98/66/97/205986697.db2.gz YJIRLCPMFCJRJU-HXUWFJFHSA-N 0 0 394.559 4.486 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000222937952 205989029 /nfs/dbraw/zinc/98/90/29/205989029.db2.gz ALZXGRKVWHMJRI-QHCPKHFHSA-N 0 0 394.559 4.220 40 0 GIABRN CCc1ccc(O[C@H](CC)C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1 ZINC000222902051 205989278 /nfs/dbraw/zinc/98/92/78/205989278.db2.gz GHANTKHPHWNKHO-LJQANCHMSA-N 0 0 379.460 4.115 40 0 GIABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222902120 205989483 /nfs/dbraw/zinc/98/94/83/205989483.db2.gz KLFCZPCBXWHOKM-LJQANCHMSA-N 0 0 394.559 4.123 40 0 GIABRN CCCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000222918452 205989515 /nfs/dbraw/zinc/98/95/15/205989515.db2.gz YNUVSPCQKSQDOK-GOSISDBHSA-N 0 0 384.495 4.092 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C)cc1 ZINC000223116286 205992268 /nfs/dbraw/zinc/99/22/68/205992268.db2.gz LSZBRPKWDMTWML-RBUKOAKNSA-N 0 0 398.522 4.399 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C ZINC000223142693 205993081 /nfs/dbraw/zinc/99/30/81/205993081.db2.gz LIWDCGBJHDEAFM-HXUWFJFHSA-N 0 0 380.532 4.180 40 0 GIABRN CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CC ZINC000223196073 205993262 /nfs/dbraw/zinc/99/32/62/205993262.db2.gz WSQJSXAZFGKWGS-JOCHJYFZSA-N 0 0 398.522 4.482 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000223405376 206000395 /nfs/dbraw/zinc/00/03/95/206000395.db2.gz NQSBVKRFGJCISJ-FQEVSTJZSA-N 0 0 384.495 4.090 40 0 GIABRN CCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223368024 205999096 /nfs/dbraw/zinc/99/90/96/205999096.db2.gz FAIWMYANMGKLOD-DENIHFKCSA-N 0 0 380.532 4.260 40 0 GIABRN Cn1cccc1CN(Cc1ccccc1)C(=O)c1ccc2c(c1)nc(Cl)n2C ZINC000222555910 205981732 /nfs/dbraw/zinc/98/17/32/205981732.db2.gz JJZJHPSRMRTDPF-UHFFFAOYSA-N 0 0 392.890 4.408 40 0 GIABRN Cc1cc(C)cc(N(CCCC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000222565156 205982011 /nfs/dbraw/zinc/98/20/11/205982011.db2.gz OEDKQHCNJPZLTH-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN CCc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(OC)cc1 ZINC000223631790 206002179 /nfs/dbraw/zinc/00/21/79/206002179.db2.gz AWEMHONRXWPSNH-QNGOZBTKSA-N 0 0 390.439 4.260 40 0 GIABRN CC[C@H](Oc1ccccc1OC)C(=O)NCCOc1ccc2ccccc2c1 ZINC000223627164 206002496 /nfs/dbraw/zinc/00/24/96/206002496.db2.gz JTXKTSLXPQYQIA-FQEVSTJZSA-N 0 0 379.456 4.201 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(CC)cc1 ZINC000223629865 206003564 /nfs/dbraw/zinc/00/35/64/206003564.db2.gz TZMXWJNZIURJFF-IBGZPJMESA-N 0 0 380.532 4.043 40 0 GIABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000223652770 206004033 /nfs/dbraw/zinc/00/40/33/206004033.db2.gz LTURCDIWGXATIS-MRXNPFEDSA-N 0 0 378.472 4.098 40 0 GIABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c(C)c1 ZINC000223653665 206004591 /nfs/dbraw/zinc/00/45/91/206004591.db2.gz JCIQOGFXWLUDIH-UHFFFAOYSA-N 0 0 391.489 4.105 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000223667967 206005083 /nfs/dbraw/zinc/00/50/83/206005083.db2.gz CMLZPABTJXKIIX-FQEVSTJZSA-N 0 0 396.531 4.016 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223814319 206005969 /nfs/dbraw/zinc/00/59/69/206005969.db2.gz LXJRUOWWPVDADQ-FQEVSTJZSA-N 0 0 392.543 4.322 40 0 GIABRN CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(OC)cc1 ZINC000223779066 206006078 /nfs/dbraw/zinc/00/60/78/206006078.db2.gz PKDZZOCILVWOSB-WOJBJXKFSA-N 0 0 378.501 4.089 40 0 GIABRN COC(=O)c1cccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000223792065 206006118 /nfs/dbraw/zinc/00/61/18/206006118.db2.gz HHJDYOXBIQUYKD-UHFFFAOYSA-N 0 0 383.425 4.066 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223807423 206006591 /nfs/dbraw/zinc/00/65/91/206006591.db2.gz RBDZKKKPHSVJGH-FQEVSTJZSA-N 0 0 392.543 4.322 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 ZINC000223816298 206006613 /nfs/dbraw/zinc/00/66/13/206006613.db2.gz VQQCMGTXNXUQJS-QFIPXVFZSA-N 0 0 398.522 4.400 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223807395 206006622 /nfs/dbraw/zinc/00/66/22/206006622.db2.gz RDZSLJJNWGUUFW-FQEVSTJZSA-N 0 0 392.543 4.322 40 0 GIABRN Cc1nccn1Cc1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1 ZINC000223835374 206007187 /nfs/dbraw/zinc/00/71/87/206007187.db2.gz QVVSKHFWJVGOLR-UHFFFAOYSA-N 0 0 377.488 4.172 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(C(=O)OC)ccc1OC ZINC000223869283 206007484 /nfs/dbraw/zinc/00/74/84/206007484.db2.gz YGOLGNRYRGPVJT-FQEVSTJZSA-N 0 0 397.471 4.157 40 0 GIABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2CC)cc1 ZINC000223837510 206007915 /nfs/dbraw/zinc/00/79/15/206007915.db2.gz AQSNMYFYSQYCLX-RTWAWAEBSA-N 0 0 392.528 4.479 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)cc1 ZINC000223834039 206008028 /nfs/dbraw/zinc/00/80/28/206008028.db2.gz BNBNKZJAPPQJKM-QGZVFWFLSA-N 0 0 386.923 4.134 40 0 GIABRN Cc1c(Cl)cnc(NC(=S)NCc2ccc(F)cc2)c1Br ZINC000223946466 206008354 /nfs/dbraw/zinc/00/83/54/206008354.db2.gz ULDQMZPTNBPHFF-UHFFFAOYSA-N 0 0 388.693 4.432 40 0 GIABRN CCOc1ccc(-c2noc(CN(C)C(=O)c3ccc(Cl)cc3F)n2)cc1 ZINC000223930607 206008948 /nfs/dbraw/zinc/00/89/48/206008948.db2.gz KPDDTGVKYQLHFX-UHFFFAOYSA-N 0 0 389.814 4.200 40 0 GIABRN Cc1cnc(NC(=S)NCC2(c3ccc(F)cc3)CCOCC2)c(Cl)c1 ZINC000224025491 206009700 /nfs/dbraw/zinc/00/97/00/206009700.db2.gz FPXCAZNWQBTSTG-UHFFFAOYSA-N 0 0 393.915 4.217 40 0 GIABRN CCC(CC)NC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000223998060 206010483 /nfs/dbraw/zinc/01/04/83/206010483.db2.gz OLPNLGCKDZGHCD-UHFFFAOYSA-N 0 0 392.546 4.128 40 0 GIABRN CCC(CC)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224055184 206011301 /nfs/dbraw/zinc/01/13/01/206011301.db2.gz LDBBSDYNNKKSGE-UHFFFAOYSA-N 0 0 394.924 4.368 40 0 GIABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cc(N2CCOCC2)on1 ZINC000224080428 206011855 /nfs/dbraw/zinc/01/18/55/206011855.db2.gz VKYZGRAOFBQGEF-UHFFFAOYSA-N 0 0 399.834 4.209 40 0 GIABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CCc1ccccc1 ZINC000224055558 206011883 /nfs/dbraw/zinc/01/18/83/206011883.db2.gz UBLRXHXBPCIOCS-QGZVFWFLSA-N 0 0 384.495 4.090 40 0 GIABRN CCC(C)(C)NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000224063102 206011943 /nfs/dbraw/zinc/01/19/43/206011943.db2.gz MIOZBXIGRCNOQF-UHFFFAOYSA-N 0 0 380.897 4.059 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC3=CCCCC3)c2C)cc1 ZINC000224080085 206012197 /nfs/dbraw/zinc/01/21/97/206012197.db2.gz QJBRAVIVMLROGH-UHFFFAOYSA-N 0 0 398.528 4.334 40 0 GIABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000224052652 206012236 /nfs/dbraw/zinc/01/22/36/206012236.db2.gz RGXFWCPGHSVNFL-IBGZPJMESA-N 0 0 398.572 4.073 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCC3=CCCCC3)ccc2C)cc1 ZINC000224084509 206012501 /nfs/dbraw/zinc/01/25/01/206012501.db2.gz XQCLFYXFJZUCEO-UHFFFAOYSA-N 0 0 398.528 4.334 40 0 GIABRN Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2F)c1 ZINC000224117408 206013130 /nfs/dbraw/zinc/01/31/30/206013130.db2.gz UPFZARIXKBCUMY-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN Cc1ccccc1CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC1CCCC1 ZINC000224112127 206013371 /nfs/dbraw/zinc/01/33/71/206013371.db2.gz CVRXJOIGVDASQX-FQEVSTJZSA-N 0 0 392.543 4.056 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000224125374 206013612 /nfs/dbraw/zinc/01/36/12/206013612.db2.gz IMVXCOFYQXRDTE-QFIPXVFZSA-N 0 0 396.531 4.132 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224174670 206015308 /nfs/dbraw/zinc/01/53/08/206015308.db2.gz LMBWTUNKVCWICC-FQEVSTJZSA-N 0 0 380.532 4.035 40 0 GIABRN O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCOc1ccc(Cl)cc1 ZINC000224177336 206015358 /nfs/dbraw/zinc/01/53/58/206015358.db2.gz WNWDDRPOYPWBGZ-UHFFFAOYSA-N 0 0 394.707 4.145 40 0 GIABRN CCc1ccc(OCC(=O)NC[C@@H](C)c2ccccc2)c(Br)c1 ZINC000224247821 206015906 /nfs/dbraw/zinc/01/59/06/206015906.db2.gz FCTFDXQTOQPPEA-CQSZACIVSA-N 0 0 376.294 4.310 40 0 GIABRN CCC[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000224233638 206016274 /nfs/dbraw/zinc/01/62/74/206016274.db2.gz SZVKGDCLVLMDOW-CQSZACIVSA-N 0 0 394.924 4.084 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 ZINC000224225694 206016997 /nfs/dbraw/zinc/01/69/97/206016997.db2.gz FDDAWJXDJAXIFG-FQEVSTJZSA-N 0 0 384.545 4.031 40 0 GIABRN CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000224192383 206017015 /nfs/dbraw/zinc/01/70/15/206017015.db2.gz VDOHZTNFVNINND-OAQYLSRUSA-N 0 0 380.532 4.341 40 0 GIABRN CCC(CC)NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000224313085 206017220 /nfs/dbraw/zinc/01/72/20/206017220.db2.gz PSIAFOPEDBICLW-UHFFFAOYSA-N 0 0 388.533 4.047 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C ZINC000224310057 206017351 /nfs/dbraw/zinc/01/73/51/206017351.db2.gz XHVXTUKYZOCISK-HXUWFJFHSA-N 0 0 386.923 4.134 40 0 GIABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1c2ccccc2C[C@@H]1C ZINC000223497471 206001199 /nfs/dbraw/zinc/00/11/99/206001199.db2.gz MMNUGYOSXMYOAB-OALUTQOASA-N 0 0 392.543 4.290 40 0 GIABRN CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1 ZINC000223491742 206001243 /nfs/dbraw/zinc/00/12/43/206001243.db2.gz QJKBLTIMMUQWFU-PMACEKPBSA-N 0 0 391.544 4.206 40 0 GIABRN Cc1cc(C)c([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1C ZINC000223463274 206001458 /nfs/dbraw/zinc/00/14/58/206001458.db2.gz JUCPMZUBEWRJKY-AWEZNQCLSA-N 0 0 394.924 4.128 40 0 GIABRN CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1 ZINC000223486070 206001686 /nfs/dbraw/zinc/00/16/86/206001686.db2.gz QCIUNLFFZFWDSK-UXHICEINSA-N 0 0 377.517 4.032 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1Cc1ccncc1 ZINC000223483855 206001761 /nfs/dbraw/zinc/00/17/61/206001761.db2.gz ZZXSUBWLVOTKPB-IRXDYDNUSA-N 0 0 386.933 4.364 40 0 GIABRN CCOc1ccc(CCC(=O)NCCOc2ccc(C)c(C)c2)cc1OCC ZINC000224395022 206020767 /nfs/dbraw/zinc/02/07/67/206020767.db2.gz AJKGXVRXQKDUQS-UHFFFAOYSA-N 0 0 385.504 4.229 40 0 GIABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C ZINC000224396134 206021070 /nfs/dbraw/zinc/02/10/70/206021070.db2.gz DLBYVZXKAHWPOX-WOJBJXKFSA-N 0 0 380.492 4.353 40 0 GIABRN CCOc1ccc(C(=O)N[C@@H](C)COC)cc1COc1ccccc1Cl ZINC000224484075 206021989 /nfs/dbraw/zinc/02/19/89/206021989.db2.gz XWNZZJRVPRSOLZ-AWEZNQCLSA-N 0 0 377.868 4.082 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1C ZINC000224554275 206023671 /nfs/dbraw/zinc/02/36/71/206023671.db2.gz ZZBZTWCIHGSRPJ-QFIPXVFZSA-N 0 0 380.532 4.117 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3cc(C)ccc3C)s2)cc1 ZINC000224613065 206023757 /nfs/dbraw/zinc/02/37/57/206023757.db2.gz GQJCOHAPZNGKFF-AWEZNQCLSA-N 0 0 383.473 4.237 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1 ZINC000224555445 206024043 /nfs/dbraw/zinc/02/40/43/206024043.db2.gz QXNPNURNCGHSDF-QFIPXVFZSA-N 0 0 380.532 4.117 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C ZINC000225057014 206035660 /nfs/dbraw/zinc/03/56/60/206035660.db2.gz XMGLBDGUZJDJCL-OAHLLOKOSA-N 0 0 376.865 4.050 40 0 GIABRN CC(C)c1ccc(N(CCCC(=O)NCC2CCCCC2)S(C)(=O)=O)cc1 ZINC000224666027 206025655 /nfs/dbraw/zinc/02/56/55/206025655.db2.gz XOKPYQQXQRNZBO-UHFFFAOYSA-N 0 0 394.581 4.053 40 0 GIABRN CCCC[C@H](CC)CNC(=O)CCCN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000224646581 206025762 /nfs/dbraw/zinc/02/57/62/206025762.db2.gz FHCMKNOALDLQNN-IBGZPJMESA-N 0 0 396.597 4.182 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000224677144 206026449 /nfs/dbraw/zinc/02/64/49/206026449.db2.gz WXJNDVKBSGKKSQ-FQEVSTJZSA-N 0 0 392.543 4.404 40 0 GIABRN CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)c1C ZINC000224788274 206027040 /nfs/dbraw/zinc/02/70/40/206027040.db2.gz UIHAYEBXJQSSPU-UHFFFAOYSA-N 0 0 399.468 4.134 40 0 GIABRN CCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224788736 206027472 /nfs/dbraw/zinc/02/74/72/206027472.db2.gz LVSNBHGJMOZLHZ-JOCHJYFZSA-N 0 0 378.516 4.095 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 ZINC000224774264 206028184 /nfs/dbraw/zinc/02/81/84/206028184.db2.gz ZTIWDYHKYASLGO-QFIPXVFZSA-N 0 0 398.522 4.256 40 0 GIABRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)o2)c1 ZINC000224826857 206028901 /nfs/dbraw/zinc/02/89/01/206028901.db2.gz FDIXEHFOFOBQDK-PMACEKPBSA-N 0 0 395.484 4.177 40 0 GIABRN CSc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)ccc2C)cc1NC(C)=O ZINC000224870564 206029327 /nfs/dbraw/zinc/02/93/27/206029327.db2.gz HKKUSHNUARYUBK-CQSZACIVSA-N 0 0 392.546 4.023 40 0 GIABRN CSc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)ccc2C)cc1NC(C)=O ZINC000224870523 206029557 /nfs/dbraw/zinc/02/95/57/206029557.db2.gz HKKUSHNUARYUBK-AWEZNQCLSA-N 0 0 392.546 4.023 40 0 GIABRN CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000224893450 206030494 /nfs/dbraw/zinc/03/04/94/206030494.db2.gz PUGFCEFRHRLFQB-UHFFFAOYSA-N 0 0 387.288 4.167 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c(C)c1 ZINC000224898578 206031066 /nfs/dbraw/zinc/03/10/66/206031066.db2.gz XHBCHTHLXMDDIR-MRXNPFEDSA-N 0 0 381.472 4.457 40 0 GIABRN COc1ccc(OC[C@H](C)NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000224977964 206031946 /nfs/dbraw/zinc/03/19/46/206031946.db2.gz KQNKZRARTQIPFG-SFHVURJKSA-N 0 0 375.468 4.488 40 0 GIABRN C[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1 ZINC000224979042 206032508 /nfs/dbraw/zinc/03/25/08/206032508.db2.gz VSCGCYAIBFZAOO-FQEVSTJZSA-N 0 0 392.543 4.138 40 0 GIABRN O=C(NCCSC1CCCCC1)c1cccc(I)c1 ZINC000224961653 206032582 /nfs/dbraw/zinc/03/25/82/206032582.db2.gz PXAPEEQTQLHVFS-UHFFFAOYSA-N 0 0 389.302 4.087 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1C ZINC000225010158 206032638 /nfs/dbraw/zinc/03/26/38/206032638.db2.gz YTFLHKQLQQBMFF-PMACEKPBSA-N 0 0 396.531 4.014 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCSc2ccc(Cl)cc2)c(C)c1 ZINC000225005003 206032645 /nfs/dbraw/zinc/03/26/45/206032645.db2.gz DKAMMSRVZMUILO-UHFFFAOYSA-N 0 0 385.938 4.036 40 0 GIABRN CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000224962180 206033154 /nfs/dbraw/zinc/03/31/54/206033154.db2.gz XNGQMEWFICMKDC-UHFFFAOYSA-N 0 0 378.252 4.356 40 0 GIABRN Cc1ccc(CCCNC(=O)c2ccc(C)cc2I)cc1 ZINC000225026094 206033555 /nfs/dbraw/zinc/03/35/55/206033555.db2.gz PIXKJUMHWYTEND-UHFFFAOYSA-N 0 0 393.268 4.271 40 0 GIABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C ZINC000225053145 206034177 /nfs/dbraw/zinc/03/41/77/206034177.db2.gz XWRXXYXVDKFJLR-OAHLLOKOSA-N 0 0 376.865 4.050 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1F ZINC000225052711 206034183 /nfs/dbraw/zinc/03/41/83/206034183.db2.gz JQHPYUSNJKLZDZ-MSOLQXFVSA-N 0 0 384.495 4.009 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1 ZINC000225049123 206034308 /nfs/dbraw/zinc/03/43/08/206034308.db2.gz RMYPTRCGCLQEBB-UXHICEINSA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C ZINC000225043844 206034317 /nfs/dbraw/zinc/03/43/17/206034317.db2.gz YUCYSAIZCJQLJX-LEWJYISDSA-N 0 0 394.559 4.486 40 0 GIABRN CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSc1ccc(C)cc1 ZINC000225040351 206034715 /nfs/dbraw/zinc/03/47/15/206034715.db2.gz KJIXITLNGJCEDC-LJQANCHMSA-N 0 0 398.572 4.073 40 0 GIABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC ZINC000225108299 206037100 /nfs/dbraw/zinc/03/71/00/206037100.db2.gz PRKHTUUIRJWKNI-SFHVURJKSA-N 0 0 384.501 4.496 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1 ZINC000225128738 206037168 /nfs/dbraw/zinc/03/71/68/206037168.db2.gz ZHMNZOOFTNPSGY-VQTJNVASSA-N 0 0 396.531 4.014 40 0 GIABRN COC(=O)c1cc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)ccc1Cl ZINC000225111419 206037464 /nfs/dbraw/zinc/03/74/64/206037464.db2.gz GZLOPUGZGGTRPT-CYBMUJFWSA-N 0 0 387.863 4.411 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C ZINC000225092394 206037624 /nfs/dbraw/zinc/03/76/24/206037624.db2.gz JXWOAPPWYJMMGY-VQTJNVASSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C ZINC000225093377 206037809 /nfs/dbraw/zinc/03/78/09/206037809.db2.gz YHZFVZBBJHGLRU-PMACEKPBSA-N 0 0 396.531 4.014 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225102367 206037823 /nfs/dbraw/zinc/03/78/23/206037823.db2.gz HVYABPLSVDDGJI-JOCHJYFZSA-N 0 0 380.532 4.180 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1 ZINC000225128860 206037874 /nfs/dbraw/zinc/03/78/74/206037874.db2.gz CNFHTDYLWBTSTB-WOJBJXKFSA-N 0 0 396.531 4.014 40 0 GIABRN COC(=O)c1cc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)ccc1Cl ZINC000225111456 206037996 /nfs/dbraw/zinc/03/79/96/206037996.db2.gz GZLOPUGZGGTRPT-ZDUSSCGKSA-N 0 0 387.863 4.411 40 0 GIABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NC[C@H](C)c2ccccc2)c1 ZINC000225139214 206038743 /nfs/dbraw/zinc/03/87/43/206038743.db2.gz SASPLRVTFGKGNP-CEZZIEKDSA-N 0 0 388.467 4.279 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 ZINC000225132398 206038798 /nfs/dbraw/zinc/03/87/98/206038798.db2.gz XXYYBVSCOSHECX-VQTJNVASSA-N 0 0 380.532 4.178 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1F ZINC000225133002 206038809 /nfs/dbraw/zinc/03/88/09/206038809.db2.gz UIPNXBGJVLTLLR-NRFANRHFSA-N 0 0 384.495 4.010 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1 ZINC000225161369 206038890 /nfs/dbraw/zinc/03/88/90/206038890.db2.gz XOQKIWGAANTKMF-JOCHJYFZSA-N 0 0 396.531 4.016 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225132648 206039672 /nfs/dbraw/zinc/03/96/72/206039672.db2.gz AKUIZUYFHQKZRK-SFTDATJTSA-N 0 0 394.559 4.486 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1C ZINC000225132691 206039737 /nfs/dbraw/zinc/03/97/37/206039737.db2.gz FBKSBURVHTYKQK-JOCHJYFZSA-N 0 0 380.532 4.180 40 0 GIABRN CC(C)n1c2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2sc1=O ZINC000225179998 206040368 /nfs/dbraw/zinc/04/03/68/206040368.db2.gz MLHAHXLWAJEZST-UHFFFAOYSA-N 0 0 396.512 4.331 40 0 GIABRN CC(C)[C@@H](C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000225185189 206040893 /nfs/dbraw/zinc/04/08/93/206040893.db2.gz ZDTQGVVEOHHMMS-ZHRRBRCNSA-N 0 0 382.529 4.235 40 0 GIABRN O=C(c1ccc(-c2nc3ccccc3[nH]2)cc1)N1CCN(c2ccccc2)CC1 ZINC000225258436 206041232 /nfs/dbraw/zinc/04/12/32/206041232.db2.gz KWQIJORTJDBFTE-UHFFFAOYSA-N 0 0 382.467 4.192 40 0 GIABRN O=C(c1ccc(F)cc1)N1CCS/C1=C\c1nc(-c2ccccc2F)no1 ZINC000225243095 206042111 /nfs/dbraw/zinc/04/21/11/206042111.db2.gz JEMRXNRACPDJNR-GZTJUZNOSA-N 0 0 385.395 4.202 40 0 GIABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000225267991 206042275 /nfs/dbraw/zinc/04/22/75/206042275.db2.gz KQMRATYCZKNGBG-RDTXWAMCSA-N 0 0 377.893 4.167 40 0 GIABRN O=C(CCc1ccc(Cl)cc1)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000225312506 206042918 /nfs/dbraw/zinc/04/29/18/206042918.db2.gz RHKVPKQUSDAKCO-UHFFFAOYSA-N 0 0 376.243 4.292 40 0 GIABRN Cc1nc(-c2c(-c3ccc4c(c3O)OCCO4)ncnc2C(F)(F)F)cs1 ZINC000028464924 206043491 /nfs/dbraw/zinc/04/34/91/206043491.db2.gz DDDDMIIVIGESEO-UHFFFAOYSA-N 0 0 395.362 4.071 40 0 GIABRN COc1ccc(O[C@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000225345832 206043874 /nfs/dbraw/zinc/04/38/74/206043874.db2.gz FWJJGDHVYRODMN-LLVKDONJSA-N 0 0 389.864 4.273 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000225441908 206047204 /nfs/dbraw/zinc/04/72/04/206047204.db2.gz MLMRIGYYZFZCTF-NHCUHLMSSA-N 0 0 394.559 4.302 40 0 GIABRN CC(C)OC(=O)c1ccc(Nc2ccc(I)cc2)c(N)c1 ZINC000225424889 206047564 /nfs/dbraw/zinc/04/75/64/206047564.db2.gz LZHSFPAKBWVZGU-UHFFFAOYSA-N 0 0 396.228 4.182 40 0 GIABRN O=C(Cc1ccccc1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000225445908 206049061 /nfs/dbraw/zinc/04/90/61/206049061.db2.gz BEJMFPKBSORPCJ-UHFFFAOYSA-N 0 0 388.486 4.302 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000225461210 206049191 /nfs/dbraw/zinc/04/91/91/206049191.db2.gz AVYIGGLKZIEGBR-UGKGYDQZSA-N 0 0 380.532 4.341 40 0 GIABRN Cc1ccc(SCCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225454871 206049345 /nfs/dbraw/zinc/04/93/45/206049345.db2.gz PVRKYQBQAXIPTB-LJQANCHMSA-N 0 0 398.572 4.419 40 0 GIABRN CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)Cc1ccccc1F ZINC000225452066 206049455 /nfs/dbraw/zinc/04/94/55/206049455.db2.gz MDUHVJFTHICFQX-UHFFFAOYSA-N 0 0 381.451 4.374 40 0 GIABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=S)Nc1ccc(F)cc1 ZINC000225460987 206049724 /nfs/dbraw/zinc/04/97/24/206049724.db2.gz FZOWNQXIFVFVFS-UHFFFAOYSA-N 0 0 376.844 4.358 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000225461107 206049912 /nfs/dbraw/zinc/04/99/12/206049912.db2.gz AVYIGGLKZIEGBR-DENIHFKCSA-N 0 0 380.532 4.341 40 0 GIABRN CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225472291 206050679 /nfs/dbraw/zinc/05/06/79/206050679.db2.gz WHBAUUNQONHWLR-IBGZPJMESA-N 0 0 380.532 4.124 40 0 GIABRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CC ZINC000225488136 206051044 /nfs/dbraw/zinc/05/10/44/206051044.db2.gz WYEXGSMGWVNYQQ-NRFANRHFSA-N 0 0 384.495 4.092 40 0 GIABRN C[C@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(F)cc1 ZINC000225474707 206051149 /nfs/dbraw/zinc/05/11/49/206051149.db2.gz JHLKVZVDUUGFIO-HNNXBMFYSA-N 0 0 385.508 4.499 40 0 GIABRN C[C@H](CCc1ccccc1)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000225492629 206051360 /nfs/dbraw/zinc/05/13/60/206051360.db2.gz UEUQYRZEFWWJAE-LFTLAFEGSA-N 0 0 388.467 4.188 40 0 GIABRN CCOc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000225475375 206051600 /nfs/dbraw/zinc/05/16/00/206051600.db2.gz AFHLOTWELPPZIC-CYVLTUHYSA-N 0 0 376.412 4.088 40 0 GIABRN Cc1ccc(CN(C(=O)CSc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225516570 206052478 /nfs/dbraw/zinc/05/24/78/206052478.db2.gz ZVABLFLMRSCLJI-LJQANCHMSA-N 0 0 398.572 4.337 40 0 GIABRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCC ZINC000225514665 206052522 /nfs/dbraw/zinc/05/25/22/206052522.db2.gz PKMGGWHZUDBTMS-QFIPXVFZSA-N 0 0 398.522 4.482 40 0 GIABRN Cc1ccccc1CN(C(=O)Cc1ccccc1Cl)[C@H](C)C(=O)NC(C)C ZINC000225495663 206052900 /nfs/dbraw/zinc/05/29/00/206052900.db2.gz MLMJOGOZOZTHPI-QGZVFWFLSA-N 0 0 386.923 4.133 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)CCc2ccccc2)c1 ZINC000225514575 206052940 /nfs/dbraw/zinc/05/29/40/206052940.db2.gz KTVIFYDRUAHWBM-CYBMUJFWSA-N 0 0 376.909 4.434 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 ZINC000225057029 206036392 /nfs/dbraw/zinc/03/63/92/206036392.db2.gz UZRRIQUOWZGWBA-PMACEKPBSA-N 0 0 380.532 4.260 40 0 GIABRN CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc21 ZINC000225702597 206069350 /nfs/dbraw/zinc/06/93/50/206069350.db2.gz LZXFEAZTHYUPMP-UHFFFAOYSA-N 0 0 382.894 4.098 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1cc(C)ccc1C ZINC000225714517 206069768 /nfs/dbraw/zinc/06/97/68/206069768.db2.gz WJBJGBUHIRWFKT-OAQYLSRUSA-N 0 0 396.531 4.014 40 0 GIABRN COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2cc(C)c(OC)cc2C)cc1 ZINC000225731629 206070968 /nfs/dbraw/zinc/07/09/68/206070968.db2.gz PCMRPFQCXLVFEJ-IBGZPJMESA-N 0 0 391.533 4.386 40 0 GIABRN CCCn1c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C)cc2sc1=O ZINC000225723638 206071360 /nfs/dbraw/zinc/07/13/60/206071360.db2.gz NXXAEUABUZIYKV-UHFFFAOYSA-N 0 0 396.921 4.236 40 0 GIABRN COC(=O)c1cccc(NC(=S)NCCCc2ccccc2Cl)c1C ZINC000225540766 206054968 /nfs/dbraw/zinc/05/49/68/206054968.db2.gz HVQYTBCRUSEUGF-UHFFFAOYSA-N 0 0 376.909 4.354 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 ZINC000225525430 206055446 /nfs/dbraw/zinc/05/54/46/206055446.db2.gz FLADOUAJDUOYGH-XMSQKQJNSA-N 0 0 398.522 4.399 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)NCCCc2ccccc2OC)c(C)c1 ZINC000225551059 206056240 /nfs/dbraw/zinc/05/62/40/206056240.db2.gz LSYCGJBOZLWRTO-UHFFFAOYSA-N 0 0 386.517 4.100 40 0 GIABRN Cc1ccc(OCCNC(=S)Nc2ccc(Br)cc2F)cc1 ZINC000225562527 206056590 /nfs/dbraw/zinc/05/65/90/206056590.db2.gz LOOZSCOSAKUIFK-UHFFFAOYSA-N 0 0 383.286 4.262 40 0 GIABRN COC(=O)c1cc(NC(=S)NCCCc2ccc(F)cc2)ccc1Cl ZINC000225547774 206056794 /nfs/dbraw/zinc/05/67/94/206056794.db2.gz LNLUXQZXNXQBBE-UHFFFAOYSA-N 0 0 380.872 4.185 40 0 GIABRN NC(=O)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1 ZINC000225550393 206056989 /nfs/dbraw/zinc/05/69/89/206056989.db2.gz IHZRWYBBNNEOKW-UHFFFAOYSA-N 0 0 386.879 4.045 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)NCCCSCc2ccco2)c(C)c1 ZINC000225594578 206058322 /nfs/dbraw/zinc/05/83/22/206058322.db2.gz GEQVZWDZUFSZDJ-UHFFFAOYSA-N 0 0 392.546 4.375 40 0 GIABRN CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225590626 206058445 /nfs/dbraw/zinc/05/84/45/206058445.db2.gz MLTNBECDSBIWOY-GOSISDBHSA-N 0 0 398.522 4.263 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225574178 206059429 /nfs/dbraw/zinc/05/94/29/206059429.db2.gz WNKQNRTVUANXOO-KRWDZBQOSA-N 0 0 386.923 4.133 40 0 GIABRN Cc1ccccc1-c1noc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)n1 ZINC000225638023 206062128 /nfs/dbraw/zinc/06/21/28/206062128.db2.gz AYKHDAKPDYJXFW-MRXNPFEDSA-N 0 0 391.471 4.008 40 0 GIABRN CCOC(=O)c1cc(NC(=S)NCCCOC2CCCC2)ccc1Cl ZINC000225620387 206062956 /nfs/dbraw/zinc/06/29/56/206062956.db2.gz GSDIAFVESKMDLF-UHFFFAOYSA-N 0 0 384.929 4.152 40 0 GIABRN COC(=O)c1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 ZINC000225675015 206065411 /nfs/dbraw/zinc/06/54/11/206065411.db2.gz YGMNZVSZMIEDGB-QGZVFWFLSA-N 0 0 384.501 4.370 40 0 GIABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc2c(c1)OCCO2 ZINC000225678461 206066229 /nfs/dbraw/zinc/06/62/29/206066229.db2.gz ALMAPZPGIFQAEF-MRXNPFEDSA-N 0 0 384.501 4.355 40 0 GIABRN Cc1ccc(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)c(C)c1 ZINC000225738717 206072644 /nfs/dbraw/zinc/07/26/44/206072644.db2.gz DFMBCJJEYHUMEX-UHFFFAOYSA-N 0 0 385.261 4.020 40 0 GIABRN COc1ccccc1NC(=O)NCc1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000225770661 206073954 /nfs/dbraw/zinc/07/39/54/206073954.db2.gz BBXUGEXOXSGBHY-UHFFFAOYSA-N 0 0 380.448 4.364 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)N[C@@H](C)COc2ccccc2)cc1Cl ZINC000225783800 206076217 /nfs/dbraw/zinc/07/62/17/206076217.db2.gz JCORDPDOGGLRHM-ZDUSSCGKSA-N 0 0 392.908 4.271 40 0 GIABRN Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1ccc(Br)cc1 ZINC000225793445 206077257 /nfs/dbraw/zinc/07/72/57/206077257.db2.gz MZMYTNQZASITAR-UHFFFAOYSA-N 0 0 382.261 4.391 40 0 GIABRN O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1ccc(Br)cc1 ZINC000225799485 206077722 /nfs/dbraw/zinc/07/77/22/206077722.db2.gz YHSRPIKPZNUAMW-UHFFFAOYSA-N 0 0 390.212 4.210 40 0 GIABRN CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 ZINC000225800046 206077907 /nfs/dbraw/zinc/07/79/07/206077907.db2.gz SCAROHYGCKTFTN-OAQYLSRUSA-N 0 0 379.497 4.432 40 0 GIABRN CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 ZINC000225801794 206078079 /nfs/dbraw/zinc/07/80/79/206078079.db2.gz HTHJLPGZMDHPCU-OAQYLSRUSA-N 0 0 379.497 4.432 40 0 GIABRN C[C@H](CCc1ccccc1)NC(=O)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000225809728 206079449 /nfs/dbraw/zinc/07/94/49/206079449.db2.gz PGIQELPJHNXRJX-OAHLLOKOSA-N 0 0 383.879 4.460 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1ccc(OC)c(C)c1 ZINC000225813771 206079540 /nfs/dbraw/zinc/07/95/40/206079540.db2.gz LLDBKRZDVRDFKF-LJQANCHMSA-N 0 0 383.488 4.363 40 0 GIABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1nnc(SCC(C)C)s1 ZINC000225828896 206079608 /nfs/dbraw/zinc/07/96/08/206079608.db2.gz GUIMXMHQMBLCIA-AWEZNQCLSA-N 0 0 381.523 4.091 40 0 GIABRN CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)cc1C(=O)OC ZINC000225818666 206079620 /nfs/dbraw/zinc/07/96/20/206079620.db2.gz XYOILXBYBZKDJB-OAQYLSRUSA-N 0 0 379.497 4.432 40 0 GIABRN CCCSc1nnc(NC(=O)COc2cccc(C(F)(F)F)c2)s1 ZINC000225815555 206079660 /nfs/dbraw/zinc/07/96/60/206079660.db2.gz LUKIXVLBNNDHHK-UHFFFAOYSA-N 0 0 377.413 4.077 40 0 GIABRN COc1cccc(-c2noc(CNC(=S)Nc3ccc(C)c(Cl)c3)n2)c1 ZINC000225822155 206079859 /nfs/dbraw/zinc/07/98/59/206079859.db2.gz JBMZLAHWBHXVLB-UHFFFAOYSA-N 0 0 388.880 4.194 40 0 GIABRN COc1ccc(NC(=S)NC2(c3ccc(OC)c(OC)c3)CCCC2)cc1 ZINC000225847274 206080663 /nfs/dbraw/zinc/08/06/63/206080663.db2.gz XHDZEEMFTSZKGB-UHFFFAOYSA-N 0 0 386.517 4.468 40 0 GIABRN CCOc1ccc(-c2noc(CNC(=S)Nc3cccc(OCC)c3)n2)cc1 ZINC000225831766 206080840 /nfs/dbraw/zinc/08/08/40/206080840.db2.gz CJTCJCLREQONRN-UHFFFAOYSA-N 0 0 398.488 4.021 40 0 GIABRN CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c(C)n1 ZINC000225874308 206082401 /nfs/dbraw/zinc/08/24/01/206082401.db2.gz FQZKRDIETBCAOM-UHFFFAOYSA-N 0 0 386.467 4.395 40 0 GIABRN COC(=O)c1cc(NC(=S)NC2(c3cccnc3)CCCC2)ccc1Cl ZINC000225861479 206082539 /nfs/dbraw/zinc/08/25/39/206082539.db2.gz YTPNKNAGWLHQTC-UHFFFAOYSA-N 0 0 389.908 4.278 40 0 GIABRN CCCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCCCC2)n1 ZINC000225886502 206084021 /nfs/dbraw/zinc/08/40/21/206084021.db2.gz QOKQGIHQOWLDSG-UHFFFAOYSA-N 0 0 385.537 4.346 40 0 GIABRN COc1ccc(NC(=O)C2(C)COC(c3ccc(Cl)cc3)OC2)cc1OC ZINC000225919183 206084488 /nfs/dbraw/zinc/08/44/88/206084488.db2.gz AJCUNCYTFSRKSD-UHFFFAOYSA-N 0 0 391.851 4.048 40 0 GIABRN C[C@@H]1C[C@H](C)CN(c2cc(Cl)nc(NC(=S)NCc3ccccc3)n2)C1 ZINC000225929696 206085495 /nfs/dbraw/zinc/08/54/95/206085495.db2.gz UGTSGQKMVUZKLA-OKILXGFUSA-N 0 0 389.956 4.099 40 0 GIABRN Cc1ccc(CNC(=S)Nc2nc(C)cc(N3C[C@H](C)C[C@H](C)C3)n2)cc1 ZINC000225946010 206086286 /nfs/dbraw/zinc/08/62/86/206086286.db2.gz GSRDPFSTXDSWBU-IYBDPMFKSA-N 0 0 383.565 4.062 40 0 GIABRN CCc1ccccc1NC(=O)CCNC(=O)c1ccc2nc(Cl)sc2c1 ZINC000225979136 206087174 /nfs/dbraw/zinc/08/71/74/206087174.db2.gz MFHJLMPXOOGPQG-UHFFFAOYSA-N 0 0 387.892 4.271 40 0 GIABRN S=C(Nc1nc(Cl)cc(N2Cc3ccccc3C2)n1)NC1CCCCC1 ZINC000226009549 206087258 /nfs/dbraw/zinc/08/72/58/206087258.db2.gz UADXZHVAKJYOEU-UHFFFAOYSA-N 0 0 387.940 4.269 40 0 GIABRN Cc1cc(NC(=O)CCNC(=O)c2ccc3sc(Cl)nc3c2)ccc1F ZINC000225980053 206087403 /nfs/dbraw/zinc/08/74/03/206087403.db2.gz NYNCHQXHWPAUHR-UHFFFAOYSA-N 0 0 391.855 4.156 40 0 GIABRN FC(F)(F)c1cc(N2CCCCC2)nc(NC(=S)NC2CCCCC2)n1 ZINC000226009259 206087453 /nfs/dbraw/zinc/08/74/53/206087453.db2.gz JHEYZFFTXASHRJ-UHFFFAOYSA-N 0 0 387.475 4.105 40 0 GIABRN Cc1cccc(NC(=O)Cc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000225980405 206087718 /nfs/dbraw/zinc/08/77/18/206087718.db2.gz TYDKXZJTSUSSBD-UHFFFAOYSA-N 0 0 394.496 4.001 40 0 GIABRN COCCN(Cc1cc(C)n(C)c1C)C(=O)c1ccc2sc(Cl)nc2c1 ZINC000225985390 206087954 /nfs/dbraw/zinc/08/79/54/206087954.db2.gz VXGMFPGIXHHXAM-UHFFFAOYSA-N 0 0 391.924 4.194 40 0 GIABRN Cc1nc(-c2cccc(NC(=O)c3cn4c5c(cccc5c3=O)CC4)c2)cs1 ZINC000226093787 206088925 /nfs/dbraw/zinc/08/89/25/206088925.db2.gz NFTVHNBDXUQJLE-UHFFFAOYSA-N 0 0 387.464 4.242 40 0 GIABRN Fc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3cnc4ccccc4c3)n2)c1 ZINC000096112667 206118535 /nfs/dbraw/zinc/11/85/35/206118535.db2.gz BJWDAQGGNOGQRI-QFIPXVFZSA-N 0 0 388.446 4.338 40 0 biogenic,in-vitro GIABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)[C@@H](O)C[C@@H]32)C1 ZINC000123278077 206111817 /nfs/dbraw/zinc/11/18/17/206111817.db2.gz WAPONCJWJZUKKE-XKKVEJNCSA-N 0 0 376.537 4.137 40 0 GIABRN Cc1nc(CO[C@@H]2CCOC3(CN(Cc4ccccc4Cl)C3)C2)cs1 ZINC000247997368 206135474 /nfs/dbraw/zinc/13/54/74/206135474.db2.gz AMZYDTXRZJFKNR-QGZVFWFLSA-N 0 0 378.925 4.055 40 0 GIABRN O=C(c1cccnc1)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257203898 206159449 /nfs/dbraw/zinc/15/94/49/206159449.db2.gz ASDCOHPYUGKRDT-QGZVFWFLSA-N 0 0 381.863 4.334 40 0 GIABRN Cc1cccnc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257220588 206161758 /nfs/dbraw/zinc/16/17/58/206161758.db2.gz DLHPLBRWVMKKES-LJQANCHMSA-N 0 0 379.435 4.475 40 0 GIABRN COc1ccc(COc2ccc(/C=C/C(=O)N3CCCCC3)cc2OC)cc1 ZINC000255189714 206150693 /nfs/dbraw/zinc/15/06/93/206150693.db2.gz RPGBFHJUQXYZDO-UKTHLTGXSA-N 0 0 381.472 4.309 40 0 GIABRN O=C(c1cccs1)N1CCO[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257274436 206171115 /nfs/dbraw/zinc/17/11/15/206171115.db2.gz NLBGITMHYQVATL-INIZCTEOSA-N 0 0 388.876 4.194 40 0 GIABRN COc1cccc(Cc2ccc([C@@H]3CCCN(c4cc(C)nc(C)n4)C3)nc2)c1 ZINC000257281300 206171427 /nfs/dbraw/zinc/17/14/27/206171427.db2.gz OONFPZZHCBVOOK-OAQYLSRUSA-N 0 0 388.515 4.472 40 0 GIABRN Cc1cc(=O)cc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3ccccc3C(=O)[O-])o2)[nH]1 ZINC000257287197 206173104 /nfs/dbraw/zinc/17/31/04/206173104.db2.gz POXLSWPTKVSTOJ-FQEVSTJZSA-N 0 0 378.428 4.391 40 0 GIABRN O=C([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](Cc3cccnc3)C2)o1 ZINC000257300642 206174524 /nfs/dbraw/zinc/17/45/24/206174524.db2.gz RVECBEIJPMIZMT-GOSISDBHSA-N 0 0 376.456 4.495 40 0 GIABRN CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CC[N@H+](CCCC(=O)[O-])C[C@H]3C[C@H]21 ZINC000257300487 206174859 /nfs/dbraw/zinc/17/48/59/206174859.db2.gz RUMVUWFHZFBUJQ-RKURPORMSA-N 0 0 393.911 4.144 40 0 GIABRN COc1cc([C@H]2C[C@@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)ccc1OC(F)F ZINC000257295917 206175034 /nfs/dbraw/zinc/17/50/34/206175034.db2.gz RALISIXGLNYYCA-QPNURLTJSA-N 0 0 397.462 4.458 40 0 GIABRN CC(C)c1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4)o3)C2)n(C)n1 ZINC000257310894 206175823 /nfs/dbraw/zinc/17/58/23/206175823.db2.gz UHBOTPDXHMFLFM-SFHVURJKSA-N 0 0 392.503 4.142 40 0 GIABRN COC[C@@H](C)NC(=O)C1(Cc2ccc(-c3cc(C)cc(C)c3)cc2)CCOCC1 ZINC000257308561 206175837 /nfs/dbraw/zinc/17/58/37/206175837.db2.gz TXEVOCUMSTUZIS-HXUWFJFHSA-N 0 0 395.543 4.461 40 0 GIABRN Cc1noc(C)c1-c1cc([C@@H]2CCCN2C(=O)CCc2ccccc2)nc(C)n1 ZINC000257303352 206177151 /nfs/dbraw/zinc/17/71/51/206177151.db2.gz SGVPSVKAEURJHA-NRFANRHFSA-N 0 0 390.487 4.353 40 0 GIABRN CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3cccc(C)c3)CCO2)n1 ZINC000257230075 206162936 /nfs/dbraw/zinc/16/29/36/206162936.db2.gz GASGOUBKTDFXNT-NRFANRHFSA-N 0 0 391.471 4.130 40 0 GIABRN C[C@]1(c2cc[nH]n2)CCC[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)C1 ZINC000257227081 206163274 /nfs/dbraw/zinc/16/32/74/206163274.db2.gz FNNQDDZHFVQIIC-QHCPKHFHSA-N 0 0 375.472 4.329 40 0 GIABRN O=C(COc1ccc(F)cc1)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257242262 206164025 /nfs/dbraw/zinc/16/40/25/206164025.db2.gz IBSCVJQNFXIPID-HXUWFJFHSA-N 0 0 398.409 4.286 40 0 GIABRN COc1ccc(CCN2CCO[C@H](c3cccc(Cc4ccccc4)n3)C2)cc1 ZINC000257237654 206164568 /nfs/dbraw/zinc/16/45/68/206164568.db2.gz HHMMPOCQBCRLLG-VWLOTQADSA-N 0 0 388.511 4.297 40 0 GIABRN Cc1cnc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)cn1 ZINC000257241738 206164911 /nfs/dbraw/zinc/16/49/11/206164911.db2.gz HZKWEBBTFLETBY-IBGZPJMESA-N 0 0 396.878 4.385 40 0 GIABRN Cc1noc(C)c1-c1cncc([C@@H]2CCCN2C(=O)c2c(F)cccc2F)n1 ZINC000257249470 206166018 /nfs/dbraw/zinc/16/60/18/206166018.db2.gz JINPGABMMGWBDS-KRWDZBQOSA-N 0 0 384.386 4.004 40 0 GIABRN CC(=O)Nc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)C(C)C)cc1 ZINC000257247481 206166848 /nfs/dbraw/zinc/16/68/48/206166848.db2.gz IZFJEOBLXCCEPQ-RWBIRNLKSA-N 0 0 398.547 4.300 40 0 GIABRN CC(C)c1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)on1 ZINC000257253322 206168039 /nfs/dbraw/zinc/16/80/39/206168039.db2.gz JYLBVZRJJHFUOO-GOSISDBHSA-N 0 0 383.423 4.493 40 0 GIABRN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)c1C ZINC000257315899 206178732 /nfs/dbraw/zinc/17/87/32/206178732.db2.gz VDESZCQDTAJBCP-GOSISDBHSA-N 0 0 398.894 4.490 40 0 GIABRN Cc1cc(C(=O)N[C@H]2C(C)(C)[C@@H]3C[C@@H]4[C@@H](c5ccccc5)OCC[C@@]42C3)no1 ZINC000257322273 206179300 /nfs/dbraw/zinc/17/93/00/206179300.db2.gz WFHJAVCDPYDOFO-ZIVVNCDHSA-N 0 0 380.488 4.295 40 0 GIABRN Cc1cccc(CN2CCN(C)[C@H](c3ncn4cc(-c5ccccc5)ccc34)C2)n1 ZINC000306142337 206206536 /nfs/dbraw/zinc/20/65/36/206206536.db2.gz WWGFQZSUMAGHIK-DEOSSOPVSA-N 0 0 397.526 4.193 40 0 GIABRN COc1ncccc1CN1CCC[C@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306144025 206206906 /nfs/dbraw/zinc/20/69/06/206206906.db2.gz YTSHXRXJMZZCSC-FQEVSTJZSA-N 0 0 385.471 4.137 40 0 GIABRN Cc1cc(OCCCC(=O)Nc2nnc([C@H]3CCCO3)s2)cc(C)c1Cl ZINC000001787162 206210074 /nfs/dbraw/zinc/21/00/74/206210074.db2.gz ZWJFDBNQDPALHD-CQSZACIVSA-N 0 0 395.912 4.458 40 0 GIABRN Cc1ccc(CN2C[C@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@H]3C2)s1 ZINC000306129571 206199356 /nfs/dbraw/zinc/19/93/56/206199356.db2.gz IHCPDSURUBLFDO-PXNSSMCTSA-N 0 0 385.510 4.072 40 0 GIABRN CN1CCN(Cc2cccs2)C[C@@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306131640 206201125 /nfs/dbraw/zinc/20/11/25/206201125.db2.gz KKVBCBBWTNXXKJ-LJQANCHMSA-N 0 0 395.557 4.008 40 0 GIABRN c1csc(-c2ccc3nc([C@@H]4CCCN(Cc5nccs5)C4)nn3c2)c1 ZINC000306136319 206202781 /nfs/dbraw/zinc/20/27/81/206202781.db2.gz PPZJFNMDOLHPJJ-OAHLLOKOSA-N 0 0 381.530 4.294 40 0 GIABRN O=C(NCCc1ccccc1)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000005009995 206215459 /nfs/dbraw/zinc/21/54/59/206215459.db2.gz SFGKRTWADRWEHM-MQGABSPSSA-N 0 0 396.490 4.373 40 0 GIABRN COc1cc([C@H]2N=C(SC)NC(C)=C2C(=O)Nc2ccccc2)ccc1C ZINC000408988456 533132882 /nfs/dbraw/zinc/13/28/82/533132882.db2.gz IACXFWUFAWRBLJ-LJQANCHMSA-N 0 0 381.501 4.280 40 0 GIABRN COc1ccc(-c2nnc(SC(=O)c3ccccc3Br)o2)cc1 ZINC000408692966 533201237 /nfs/dbraw/zinc/20/12/37/533201237.db2.gz ZPEVSIYTOSJCIP-UHFFFAOYSA-N 0 0 391.246 4.440 40 0 GIABRN COc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccccc2)cc1 ZINC000408696700 533220060 /nfs/dbraw/zinc/22/00/60/533220060.db2.gz DRKJGWRFXGQQBU-UHFFFAOYSA-N 0 0 388.402 4.334 40 0 GIABRN O=c1oc2ccccc2n1[C@@H]1CCCN(Cc2ccc(Br)s2)C1 ZINC000012119216 221153608 /nfs/dbraw/zinc/15/36/08/221153608.db2.gz NYEHTWRMLIFJCX-GFCCVEGCSA-N 0 0 393.306 4.256 40 0 GIABRN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 ZINC000408623980 533319181 /nfs/dbraw/zinc/31/91/81/533319181.db2.gz ABXILWCOLQIFTP-OAHLLOKOSA-N 0 0 383.517 4.201 40 0 GIABRN COc1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000408628440 533319312 /nfs/dbraw/zinc/31/93/12/533319312.db2.gz TXDVGADGZAHGCR-UHFFFAOYSA-N 0 0 388.798 4.494 40 0 GIABRN COc1ccc2ccccc2c1/C=C1\NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000409018594 533338616 /nfs/dbraw/zinc/33/86/16/533338616.db2.gz HUCGTKUHNYIYDI-UNOMPAQXSA-N 0 0 376.387 4.080 40 0 GIABRN COc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1 ZINC000408628358 533320047 /nfs/dbraw/zinc/32/00/47/533320047.db2.gz RSYKDVBOVCHUBJ-UHFFFAOYSA-N 0 0 399.697 4.238 40 0 GIABRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2cn(C)c3ccccc23)S1 ZINC000408814658 533404376 /nfs/dbraw/zinc/40/43/76/533404376.db2.gz GGPVOXCKJYDERA-UHFFFAOYSA-N 0 0 378.477 4.258 40 0 GIABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(Br)c(C)c1 ZINC000408622939 533406426 /nfs/dbraw/zinc/40/64/26/533406426.db2.gz QHFMRIZATHFNEP-UHFFFAOYSA-N 0 0 393.306 4.201 40 0 GIABRN COc1c(C)cccc1C(=O)NC(=S)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000408619681 533407057 /nfs/dbraw/zinc/40/70/57/533407057.db2.gz GYGIVLFREOPBHJ-XSXQVXRUSA-N 0 0 386.561 4.213 40 0 GIABRN COc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)cc(Br)c1OC ZINC000408734479 533456694 /nfs/dbraw/zinc/45/66/94/533456694.db2.gz GVNGSFORJWMJFX-UHFFFAOYSA-N 0 0 395.278 4.460 40 0 GIABRN COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(OC)c1OC ZINC000409141980 533473473 /nfs/dbraw/zinc/47/34/73/533473473.db2.gz KOALPZMHWIOEBW-GZTJUZNOSA-N 0 0 391.489 4.329 40 0 GIABRN COc1cc(C(=S)N2CCCC2)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409230069 533560587 /nfs/dbraw/zinc/56/05/87/533560587.db2.gz WVMJAWVODSHTHV-UHFFFAOYSA-N 0 0 398.528 4.101 40 0 GIABRN O=c1[nH]c(N2CCc3ccccc3C2)nc2nccc(C=Cc3ccc(F)cc3)c12 ZINC000040388523 132403811 /nfs/dbraw/zinc/40/38/11/132403811.db2.gz MKYRJAHIYSELOA-VMPITWQZSA-N 0 0 398.441 4.190 40 0 GIABRN Cc1ccc(N2CCCc3sc(C(=O)Nc4cccc(Cl)c4)nc32)nn1 ZINC000096062696 136183513 /nfs/dbraw/zinc/18/35/13/136183513.db2.gz MYMUXNZKPIXLAS-UHFFFAOYSA-N 0 0 385.880 4.232 40 0 GIABRN O[C@@H]1CCCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)nn32)C1 ZINC000001341252 136193194 /nfs/dbraw/zinc/19/31/94/136193194.db2.gz YRZOQVYIFBDUAJ-LJQANCHMSA-N 0 0 388.446 4.164 40 0 GIABRN Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000004968015 136194534 /nfs/dbraw/zinc/19/45/34/136194534.db2.gz BAFSIDUJJBIFGA-ZDUSSCGKSA-N 0 0 379.291 4.255 40 0 GIABRN Nc1cc(Br)cc(Cl)c1N1CCN(c2ccc(F)cc2)CC1 ZINC000216881516 136203139 /nfs/dbraw/zinc/20/31/39/136203139.db2.gz WJQUDMUEBRJCAH-UHFFFAOYSA-N 0 0 384.680 4.150 40 0 GIABRN S=C(Nc1ccc(N2CCN(c3ccccc3)CC2)nc1)NC1CCCCC1 ZINC000224038784 136206216 /nfs/dbraw/zinc/20/62/16/136206216.db2.gz GEQKYCHACQPTSR-UHFFFAOYSA-N 0 0 395.576 4.027 40 0 GIABRN Cc1ccc(C)c(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c1 ZINC000408703795 533680502 /nfs/dbraw/zinc/68/05/02/533680502.db2.gz HFOLZKOOGJECBC-UHFFFAOYSA-N 0 0 394.496 4.384 40 0 GIABRN CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCC[C@H](OC)C1)c1nc2cccnc2n1C(C)C ZINC000072342229 222232035 /nfs/dbraw/zinc/23/20/35/222232035.db2.gz WTPIMVBSPBFFDA-MJQMVNBJSA-N 0 0 386.540 4.421 40 0 GIABRN COc1ccccc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000408624466 534183854 /nfs/dbraw/zinc/18/38/54/534183854.db2.gz UIONDKNGAYTLAG-UHFFFAOYSA-N 0 0 392.480 4.401 40 0 GIABRN COc1ccc(NCc2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409120639 534186597 /nfs/dbraw/zinc/18/65/97/534186597.db2.gz RLWIPDUTMLYPPO-UHFFFAOYSA-N 0 0 383.469 4.383 40 0 GIABRN S=C(Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)N1CCCC1 ZINC000408979756 534459041 /nfs/dbraw/zinc/45/90/41/534459041.db2.gz SBDATNCYEMEURF-UHFFFAOYSA-N 0 0 388.500 4.413 40 0 GIABRN Cc1cccc(-n2cccc2/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c1 ZINC000409013255 534566425 /nfs/dbraw/zinc/56/64/25/534566425.db2.gz TVULGMCUSGWUKG-DEDYPNTBSA-N 0 0 375.403 4.018 40 0 GIABRN O=C(Oc1cccc(/C=C2\N=C(c3ccccc3)OC2=O)c1)c1ccccc1F ZINC000408957738 534569092 /nfs/dbraw/zinc/56/90/92/534569092.db2.gz VPVJAHOGVDOQAZ-ZHZULCJRSA-N 0 0 387.366 4.389 40 0 GIABRN Cc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)c1 ZINC000408628832 534625657 /nfs/dbraw/zinc/62/56/57/534625657.db2.gz CMTWHCZEEKRZJC-UHFFFAOYSA-N 0 0 399.494 4.210 40 0 GIABRN Cc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000408558328 534745494 /nfs/dbraw/zinc/74/54/94/534745494.db2.gz RBURMMOKAYPODE-UHFFFAOYSA-N 0 0 386.517 4.120 40 0 GIABRN O=C1N/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1C1CCCCC1 ZINC000409084911 534781176 /nfs/dbraw/zinc/78/11/76/534781176.db2.gz XWFBXLHLVFYJME-QNGOZBTKSA-N 0 0 376.456 4.491 40 0 GIABRN O=C1c2cccc3c(Br)ccc(c32)C(=O)N1c1ccc2c(c1)OCO2 ZINC000408976305 534849288 /nfs/dbraw/zinc/84/92/88/534849288.db2.gz QMMZOBJWZQKDJX-UHFFFAOYSA-N 0 0 396.196 4.132 40 0 GIABRN CC(C)(C)NC(=O)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 ZINC000408976428 526324519 /nfs/dbraw/zinc/32/45/19/526324519.db2.gz FQIZZEZOGZKYGX-UHFFFAOYSA-N 0 0 383.455 4.282 40 0 GIABRN CC(=O)Nc1ccc(N2C(=O)c3cccc4c(N5CCCC5)ccc(c43)C2=O)cc1 ZINC000408536406 527004451 /nfs/dbraw/zinc/00/44/51/527004451.db2.gz WKWHGJASHYLEDB-UHFFFAOYSA-N 0 0 399.450 4.199 40 0 GIABRN CC(C)C1=C[C@](O)(C(F)(F)F)N(C(=O)CSCc2ccccc2Cl)N1 ZINC000409177727 527625539 /nfs/dbraw/zinc/62/55/39/527625539.db2.gz GRIOAEZHKYDTGU-HNNXBMFYSA-N 0 0 394.846 4.068 40 0 GIABRN CC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000408707788 527632245 /nfs/dbraw/zinc/63/22/45/527632245.db2.gz LYLRZHSCIJLAMW-UQPPLGOBSA-N 0 0 376.928 4.414 40 0 GIABRN CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1 ZINC000408628819 528147334 /nfs/dbraw/zinc/14/73/34/528147334.db2.gz BPNSCQJUZBLQMB-UHFFFAOYSA-N 0 0 387.911 4.131 40 0 GIABRN CCCN1C(=O)/C(=C\c2cc(OC)c(O)cc2Br)c2ccccc21 ZINC000409116440 528163154 /nfs/dbraw/zinc/16/31/54/528163154.db2.gz IZPWSSCUQMPZSF-ZROIWOOFSA-N 0 0 388.261 4.461 40 0 GIABRN CC(C)c1ccccc1NC(=O)[C@@H]1CSCN1C(=O)OCc1ccccc1 ZINC000408736416 528197963 /nfs/dbraw/zinc/19/79/63/528197963.db2.gz BXFYPAAAWZXBLG-IBGZPJMESA-N 0 0 384.501 4.460 40 0 GIABRN CCCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408547286 528213577 /nfs/dbraw/zinc/21/35/77/528213577.db2.gz YJEXMTKQUVWOMG-UHFFFAOYSA-N 0 0 394.924 4.085 40 0 GIABRN CC1CCN(C(=O)CN2C(=O)S/C(=C/c3cccc4ccccc34)C2=O)CC1 ZINC000409317654 528218736 /nfs/dbraw/zinc/21/87/36/528218736.db2.gz RAALJYAJRYNUTA-CPNJWEJPSA-N 0 0 394.496 4.135 40 0 GIABRN CC(C)Oc1cccc(CNC(=O)c2ccc(I)cc2)c1 ZINC000010542725 528224981 /nfs/dbraw/zinc/22/49/81/528224981.db2.gz NLOLOHVAZSLQOJ-UHFFFAOYSA-N 0 0 395.240 4.008 40 0 GIABRN CCOc1cc(C)c(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1C(C)C ZINC000409070326 528239560 /nfs/dbraw/zinc/23/95/60/528239560.db2.gz NYQDUYVTBHWQJU-VZWMTCDZSA-N 0 0 391.489 4.115 40 0 GIABRN CCOc1cc(CNc2ccccc2)cc(I)c1OC ZINC000409114305 528287371 /nfs/dbraw/zinc/28/73/71/528287371.db2.gz GXJXJKKOACOFSK-UHFFFAOYSA-N 0 0 383.229 4.311 40 0 GIABRN CCC(=O)N1CCN(c2ccccc2NC(=O)c2cccc3ccccc32)CC1 ZINC000408628856 528330991 /nfs/dbraw/zinc/33/09/91/528330991.db2.gz DXGTVJDSBURMQO-UHFFFAOYSA-N 0 0 387.483 4.151 40 0 GIABRN CCOc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccccc2OC)cc1 ZINC000408846750 528482696 /nfs/dbraw/zinc/48/26/96/528482696.db2.gz YXDUCOHBFSWQHT-LTGZKZEYSA-N 0 0 399.450 4.323 40 0 GIABRN CCOc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccc(OC)cc2)cc1 ZINC000408840247 528482771 /nfs/dbraw/zinc/48/27/71/528482771.db2.gz CUZXNGKJHBVTLG-CJLVFECKSA-N 0 0 399.450 4.323 40 0 GIABRN CCC(C)(C)C1CCC(NC(=O)C(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000408710112 528489809 /nfs/dbraw/zinc/48/98/09/528489809.db2.gz OYRCDRAWHSCQRY-UHFFFAOYSA-N 0 0 378.944 4.110 40 0 GIABRN CCOc1ccc(NC(=O)CSCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000005463822 528512986 /nfs/dbraw/zinc/51/29/86/528512986.db2.gz RMSYFPQXKBPTCO-UHFFFAOYSA-N 0 0 378.881 4.049 40 0 GIABRN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000103718693 528541046 /nfs/dbraw/zinc/54/10/46/528541046.db2.gz VKWAZNJIGQGCCC-CYBMUJFWSA-N 0 0 392.377 4.096 40 0 GIABRN CCOc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1 ZINC000409346871 528627605 /nfs/dbraw/zinc/62/76/05/528627605.db2.gz OPWBEMALERIASB-PDGQHHTCSA-N 0 0 396.468 4.069 40 0 GIABRN CCOc1ccccc1-c1nc(SCC(=O)Nc2cccc(Cl)c2)n[nH]1 ZINC000408527443 528700480 /nfs/dbraw/zinc/70/04/80/528700480.db2.gz NVDPRMQTRRFVAR-UHFFFAOYSA-N 0 0 388.880 4.255 40 0 GIABRN CCOc1ccccc1-c1nc(SCC(=O)Nc2ccc(C)c(C)c2)n[nH]1 ZINC000408526583 528701033 /nfs/dbraw/zinc/70/10/33/528701033.db2.gz FCLZFWHEQLUFKM-UHFFFAOYSA-N 0 0 382.489 4.218 40 0 GIABRN CCOC(=O)COc1ccc(/C=C2/c3ccccc3N(CC(C)C)C2=O)cc1 ZINC000409119616 528842033 /nfs/dbraw/zinc/84/20/33/528842033.db2.gz SXZSEKVCQSDTTN-MOSHPQCFSA-N 0 0 379.456 4.172 40 0 GIABRN CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)N(C)C1=S ZINC000409037509 528943796 /nfs/dbraw/zinc/94/37/96/528943796.db2.gz NUXGEXHNQJAIFI-PDGQHHTCSA-N 0 0 386.904 4.339 40 0 GIABRN CCN1C(=O)/C(=C\c2cc(Br)c(OC)c(OC)c2)c2ccccc21 ZINC000409113386 528944935 /nfs/dbraw/zinc/94/49/35/528944935.db2.gz AOEUOSZUYYPSBG-ZROIWOOFSA-N 0 0 388.261 4.373 40 0 GIABRN CCN1C(=O)S/C(=C/c2cc(Cl)c(OC)c(Br)c2)C1=O ZINC000409076077 528953899 /nfs/dbraw/zinc/95/38/99/528953899.db2.gz XLUOVRCENOWIID-UXBLZVDNSA-N 0 0 376.659 4.167 40 0 GIABRN CCOC(=O)N[C@H](CC(=O)Nc1nc2ccc(C)cc2s1)c1ccccc1 ZINC000408979583 529100654 /nfs/dbraw/zinc/10/06/54/529100654.db2.gz NAAUBFPERODCRH-MRXNPFEDSA-N 0 0 383.473 4.421 40 0 GIABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC ZINC000408588861 529107809 /nfs/dbraw/zinc/10/78/09/529107809.db2.gz ZVBIUXYFAOHPMH-UHFFFAOYSA-N 0 0 398.868 4.108 40 0 GIABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(OC)cc1 ZINC000409145020 529180399 /nfs/dbraw/zinc/18/03/99/529180399.db2.gz PSSUZMVYZHXVHW-HNNXBMFYSA-N 0 0 386.517 4.095 40 0 GIABRN CC(C)(Br)C(=O)Nc1nc2ccc(N3CCCCC3)cc2s1 ZINC000020133259 534967279 /nfs/dbraw/zinc/96/72/79/534967279.db2.gz QUMXMGOYCFNZBG-UHFFFAOYSA-N 0 0 382.327 4.399 40 0 GIABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000222956362 536045597 /nfs/dbraw/zinc/04/55/97/536045597.db2.gz BXNKEABPDODKJU-FQEVSTJZSA-N 0 0 386.923 4.463 40 0 GIABRN O=C(c1cccs1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(C3CCCCC3)c12 ZINC000008295952 560208073 /nfs/dbraw/zinc/20/80/73/560208073.db2.gz MLGZTVKHTJQEHQ-DOTOQJQBSA-N 0 0 382.529 4.217 40 0 biogenic,in-vitro GIABRN CCOc1ccc([C@H]2CCCN2C(=O)c2cccc3c(=O)cc(C)[nH]c23)cc1 ZINC000019719128 570210169 /nfs/dbraw/zinc/21/01/69/570210169.db2.gz KLQUZBZYKKOBMV-HXUWFJFHSA-N 0 0 376.456 4.213 40 0 GIABRN O=C(NCc1ccccc1)c1cc2c(s1)CCN2C(=O)c1ccc(F)cc1 ZINC000096087940 570210426 /nfs/dbraw/zinc/21/04/26/570210426.db2.gz LXDRCUNQKRGTHG-UHFFFAOYSA-N 0 0 380.444 4.020 40 0 GIABRN COc1cccc(OCCCn2cncc2-c2c(C)nc3c(C)cccn32)c1 ZINC000019719677 570210594 /nfs/dbraw/zinc/21/05/94/570210594.db2.gz VXNSEBSKCWHJAE-UHFFFAOYSA-N 0 0 376.460 4.292 40 0 GIABRN CC(C)Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCC2)n1 ZINC000329011402 570212021 /nfs/dbraw/zinc/21/20/21/570212021.db2.gz MEAKRGFOQDBTCC-UHFFFAOYSA-N 0 0 380.414 4.061 40 0 GIABRN CN(CCc1ccccc1)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCO1 ZINC000019740135 570212319 /nfs/dbraw/zinc/21/23/19/570212319.db2.gz ZSHNLVDLZICJBY-XMMPIXPASA-N 0 0 390.483 4.134 40 0 GIABRN CNc1nc(Nc2cccc(C)c2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329033386 570213697 /nfs/dbraw/zinc/21/36/97/570213697.db2.gz QUJDUNLJVKQJJK-UHFFFAOYSA-N 0 0 388.393 4.288 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1 ZINC000329027088 570213846 /nfs/dbraw/zinc/21/38/46/570213846.db2.gz PQUKFSAUJRFRIP-HXUWFJFHSA-N 0 0 396.922 4.260 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2ccc(OC)c(C(F)(F)F)c2)cc(C2CC2)n1 ZINC000329024807 570213866 /nfs/dbraw/zinc/21/38/66/570213866.db2.gz PBMRXNGLDBVYAH-LLVKDONJSA-N 0 0 380.414 4.179 40 0 GIABRN Cn1cc(-c2cnc(NCc3ccccc3)nc2)cc1C(=O)Nc1cccc(O)c1 ZINC000096147612 570214072 /nfs/dbraw/zinc/21/40/72/570214072.db2.gz DKFRGURIFLGQRY-UHFFFAOYSA-N 0 0 399.454 4.052 40 0 GIABRN CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1cccc(C)c1 ZINC000000676552 570215992 /nfs/dbraw/zinc/21/59/92/570215992.db2.gz OSQJVDBWQTYHMW-UHFFFAOYSA-N 0 0 394.500 4.207 40 0 GIABRN CCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000329066895 570216053 /nfs/dbraw/zinc/21/60/53/570216053.db2.gz YEEUNXWBUUWWDT-UHFFFAOYSA-N 0 0 391.422 4.170 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(C2CC2)n1 ZINC000329065103 570216069 /nfs/dbraw/zinc/21/60/69/570216069.db2.gz XPPZCUCKPADAQI-INIZCTEOSA-N 0 0 381.307 4.255 40 0 GIABRN O=C(c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1)N1CCOCC1 ZINC000096154474 570216247 /nfs/dbraw/zinc/21/62/47/570216247.db2.gz WHMKDTGDAAAJSG-UHFFFAOYSA-N 0 0 391.452 4.091 40 0 GIABRN O=C(c1cc(-c2csc(-c3ccccc3)n2)n2ccccc12)N1CCOCC1 ZINC000096154879 570216523 /nfs/dbraw/zinc/21/65/23/570216523.db2.gz GYAITXONWMNSMD-UHFFFAOYSA-N 0 0 389.480 4.202 40 0 GIABRN O=C(c1ccccc1)N1CCC(c2nc3ccc(-c4cccs4)cn3n2)CC1 ZINC000096155792 570216559 /nfs/dbraw/zinc/21/65/59/570216559.db2.gz RXOYWAJANRTGIT-UHFFFAOYSA-N 0 0 388.496 4.478 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2ccc3sc(C)nc3c2)cc(-c2cccnc2)n1 ZINC000329071907 570216841 /nfs/dbraw/zinc/21/68/41/570216841.db2.gz ZTNJAMWDQIDACJ-ZDUSSCGKSA-N 0 0 390.516 4.255 40 0 GIABRN Fc1cc(F)c(F)c(NN=c2cc(C3CC3)nc(NC3CCCC3)[nH]2)c1F ZINC000329072553 570217223 /nfs/dbraw/zinc/21/72/23/570217223.db2.gz ZZOVZXTZMCNLSY-UHFFFAOYSA-N 0 0 381.377 4.126 40 0 GIABRN CCCCNC(=O)N1CCC2(C[C@@H](CC(=O)N3CCCC3)c3ccccc32)CC1 ZINC000096242132 570222916 /nfs/dbraw/zinc/22/29/16/570222916.db2.gz XAVAQABJZQUFIK-LJQANCHMSA-N 0 0 397.563 4.030 40 0 GIABRN CCCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccncc1 ZINC000000796392 570223884 /nfs/dbraw/zinc/22/38/84/570223884.db2.gz HOOVYAFKLMRWMX-UHFFFAOYSA-N 0 0 381.505 4.098 40 0 GIABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000096247362 570224013 /nfs/dbraw/zinc/22/40/13/570224013.db2.gz SBSDUMYZQDQNIS-SFHVURJKSA-N 0 0 379.460 4.169 40 0 GIABRN Cc1cc(NC(=O)c2cc3c(s2)CCN3C(=O)c2ccc(F)cc2)ccn1 ZINC000096264557 570227041 /nfs/dbraw/zinc/22/70/41/570227041.db2.gz WNAVHUIGMGXGOO-UHFFFAOYSA-N 0 0 381.432 4.046 40 0 GIABRN c1ccc(CNc2ccc3c([C@H]4CCCN4Cc4ccncc4)nnn3c2)cc1 ZINC000096267939 570227555 /nfs/dbraw/zinc/22/75/55/570227555.db2.gz GZUFLUCQTPHZQY-OAQYLSRUSA-N 0 0 384.487 4.074 40 0 GIABRN CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)c2ccccc2-c2ccccc2)nc1 ZINC000585261863 570229035 /nfs/dbraw/zinc/22/90/35/570229035.db2.gz YXPKSVYSHLADMW-DEOSSOPVSA-N 0 0 399.494 4.362 40 0 GIABRN COc1ccccc1-c1nnc(CSc2nnc(-c3cccc(C)c3)o2)o1 ZINC000019927467 570230110 /nfs/dbraw/zinc/23/01/10/570230110.db2.gz PPGPEOYNEZGRJF-UHFFFAOYSA-N 0 0 380.429 4.396 40 0 GIABRN O=C(Cc1cccc(F)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019934922 570231516 /nfs/dbraw/zinc/23/15/16/570231516.db2.gz AIPOSTHDFUAEDY-UHFFFAOYSA-N 0 0 388.486 4.302 40 0 GIABRN Cc1cc(C)c(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)c(C)c1 ZINC000019937698 570232015 /nfs/dbraw/zinc/23/20/15/570232015.db2.gz VOOPUGDECCCZRR-UHFFFAOYSA-N 0 0 381.863 4.197 40 0 GIABRN O=c1c2c(-c3ccccc3)ccnc2nc(N2CCCCC2)n1Cc1ccccc1 ZINC000019973906 570234175 /nfs/dbraw/zinc/23/41/75/570234175.db2.gz HJYUMLZUXXCXIC-UHFFFAOYSA-N 0 0 396.494 4.497 40 0 GIABRN COC(=O)c1cc2cc(NC(=O)COc3ccccc3Cl)ccc2s1 ZINC000020022773 570235215 /nfs/dbraw/zinc/23/52/15/570235215.db2.gz GQSDEDOVHNFDNE-UHFFFAOYSA-N 0 0 375.833 4.359 40 0 GIABRN COc1ccc(CN(C)C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OC ZINC000020040877 570236868 /nfs/dbraw/zinc/23/68/68/570236868.db2.gz ZBQXEGJFSMZSQC-INIZCTEOSA-N 0 0 385.504 4.427 40 0 GIABRN Cc1nccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1cccc2ccccc21 ZINC000020044003 570237245 /nfs/dbraw/zinc/23/72/45/570237245.db2.gz BYNZHCDIDSVYPS-QGZVFWFLSA-N 0 0 385.467 4.418 40 0 GIABRN Cc1ccc(CN(C)C(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000020108102 570239958 /nfs/dbraw/zinc/23/99/58/570239958.db2.gz LROYKYFANOJJDZ-UHFFFAOYSA-N 0 0 382.685 4.448 40 0 GIABRN CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000020106444 570240052 /nfs/dbraw/zinc/24/00/52/570240052.db2.gz NRRJZAQOJONNMW-QGZVFWFLSA-N 0 0 380.488 4.452 40 0 GIABRN O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020109090 570240248 /nfs/dbraw/zinc/24/02/48/570240248.db2.gz XSIKGNDDQNTNLP-UHFFFAOYSA-N 0 0 386.860 4.393 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2Cl)cc1 ZINC000020111759 570241033 /nfs/dbraw/zinc/24/10/33/570241033.db2.gz BCPJQSXRLRDNBU-UHFFFAOYSA-N 0 0 392.908 4.075 40 0 GIABRN O=C(Cc1ccc(Br)cc1)Nc1cccc(-c2ccc(CO)o2)c1 ZINC000020137192 570242006 /nfs/dbraw/zinc/24/20/06/570242006.db2.gz OEMIUYHQBKJWHN-UHFFFAOYSA-N 0 0 386.245 4.383 40 0 GIABRN COc1cc(OC)cc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)c1 ZINC000020143322 570243314 /nfs/dbraw/zinc/24/33/14/570243314.db2.gz CAKOGCZPOOQBLJ-UHFFFAOYSA-N 0 0 387.819 4.362 40 0 GIABRN Cc1cc(NC(=S)NC(=O)c2ccccc2F)ccc1-c1ccc(CO)o1 ZINC000020151711 570244566 /nfs/dbraw/zinc/24/45/66/570244566.db2.gz YFVBMNYFQUKFIY-UHFFFAOYSA-N 0 0 384.432 4.013 40 0 GIABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2C)c1 ZINC000020152174 570244887 /nfs/dbraw/zinc/24/48/87/570244887.db2.gz HKNZLSHAAVDMIY-UHFFFAOYSA-N 0 0 394.496 4.491 40 0 GIABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(-n2ccnc2C)cc1 ZINC000020453898 570258287 /nfs/dbraw/zinc/25/82/87/570258287.db2.gz USTVAMULQRKVEV-FQEVSTJZSA-N 0 0 383.879 4.308 40 0 GIABRN Cc1ccc([C@H](NC(=O)c2ccc(N3CCOCC3)cc2)c2ccccc2)cc1 ZINC000020454878 570258499 /nfs/dbraw/zinc/25/84/99/570258499.db2.gz AEUKIXXMJJIEAY-XMMPIXPASA-N 0 0 386.495 4.351 40 0 GIABRN C[C@@H]1C[C@H](C)CN(C(=O)CSc2ncccc2-c2nc3ccccc3[nH]2)C1 ZINC000001329561 570260812 /nfs/dbraw/zinc/26/08/12/570260812.db2.gz JBBAIMLFVVRRNJ-GASCZTMLSA-N 0 0 380.517 4.222 40 0 GIABRN Cc1cccc(NC(=O)CSc2nnc(NC(=O)CC(C)(C)C)s2)c1C ZINC000001381649 570261551 /nfs/dbraw/zinc/26/15/51/570261551.db2.gz SLWTUNROSUFJCQ-UHFFFAOYSA-N 0 0 392.550 4.260 40 0 GIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000020484091 570262033 /nfs/dbraw/zinc/26/20/33/570262033.db2.gz AIQLKDREGHDYMP-IBGZPJMESA-N 0 0 384.476 4.020 40 0 GIABRN COc1ccc([C@H](C)NC(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000020490322 570262776 /nfs/dbraw/zinc/26/27/76/570262776.db2.gz YMKXCIUCSYKIDE-NSHDSACASA-N 0 0 398.684 4.367 40 0 GIABRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccc(I)cc1)CC2=O ZINC000001462942 570263743 /nfs/dbraw/zinc/26/37/43/570263743.db2.gz WFNHRHRZROAYQH-DLBZAZTESA-N 0 0 397.256 4.015 40 0 GIABRN Cc1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3ccccn3)cs2)cc1 ZINC000585294505 570263842 /nfs/dbraw/zinc/26/38/42/570263842.db2.gz HENGOKDZSPNIAM-IBGZPJMESA-N 0 0 378.501 4.436 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2nc3ccccc3c(=O)n2C2CCCCC2)cc1 ZINC000001650867 570266850 /nfs/dbraw/zinc/26/68/50/570266850.db2.gz WQWYUQJWGKQWSU-UHFFFAOYSA-N 0 0 397.500 4.011 40 0 GIABRN O=C(COC(=O)c1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001972567 570271408 /nfs/dbraw/zinc/27/14/08/570271408.db2.gz ULVVLQLLUJJNFZ-UHFFFAOYSA-N 0 0 375.705 4.293 40 0 GIABRN CCOC(=O)[C@@H](Cc1ccccc1)Nc1c(Cl)c(=O)oc2ccc(C)cc21 ZINC000002037086 570272488 /nfs/dbraw/zinc/27/24/88/570272488.db2.gz MNELITAPLFMXJB-MRXNPFEDSA-N 0 0 385.847 4.341 40 0 GIABRN O=C1C[C@H](c2ccco2)Cc2nc(N3CCC(Cc4ccccc4)CC3)ncc21 ZINC000020673001 570274332 /nfs/dbraw/zinc/27/43/32/570274332.db2.gz PICJUYPMOZEJQH-LJQANCHMSA-N 0 0 387.483 4.441 40 0 GIABRN COc1ccc([C@H]2CC(=O)[C@@H]3C(C)=Nc4ccccc4N[C@@H]3C2)c(OC)c1OC ZINC000100855763 570278641 /nfs/dbraw/zinc/27/86/41/570278641.db2.gz FNGFKBLYDOQYFO-CFCCAZDESA-N 0 0 394.471 4.362 40 0 GIABRN COc1ccc(-n2nc(Nc3cccc(OC)c3)c3c2C[C@@H](C)CC3=O)cc1 ZINC000020796943 570280732 /nfs/dbraw/zinc/28/07/32/570280732.db2.gz AHCUUVVGMVLWHF-CQSZACIVSA-N 0 0 377.444 4.398 40 0 GIABRN COc1ccccc1[C@@H](C)NC(=O)COc1ccc(Br)cc1Cl ZINC000021181152 570289043 /nfs/dbraw/zinc/28/90/43/570289043.db2.gz XGIKWFNHHUSIFN-LLVKDONJSA-N 0 0 398.684 4.367 40 0 GIABRN O=C(Nc1cccc2ccccc21)c1cccc(OC(=S)N2CCOCC2)c1 ZINC000000870136 570294549 /nfs/dbraw/zinc/29/45/49/570294549.db2.gz SFUUXMGSUWHYJF-UHFFFAOYSA-N 0 0 392.480 4.088 40 0 GIABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C)o2)cc1C ZINC000216030540 570295021 /nfs/dbraw/zinc/29/50/21/570295021.db2.gz WAANFNKQYDHHSR-UHFFFAOYSA-N 0 0 383.473 4.305 40 0 GIABRN CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1 ZINC000216473283 570302617 /nfs/dbraw/zinc/30/26/17/570302617.db2.gz SEUNZQLPCOLZTM-CABCVRRESA-N 0 0 389.517 4.461 40 0 GIABRN CCOc1ccc2c(c1)c(=O)c(C(=O)N[C@@H](C)c1ccc(SC)cc1)cn2C ZINC000022237444 570309587 /nfs/dbraw/zinc/30/95/87/570309587.db2.gz CYYFRHHUWGZFIR-AWEZNQCLSA-N 0 0 396.512 4.150 40 0 GIABRN CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Cl)cc1Cl)cn2C ZINC000022237205 570309601 /nfs/dbraw/zinc/30/96/01/570309601.db2.gz JMEGLFLUQWBAET-UHFFFAOYSA-N 0 0 391.254 4.496 40 0 GIABRN CCCc1nc2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2s1 ZINC000022255175 570311291 /nfs/dbraw/zinc/31/12/91/570311291.db2.gz RTRIKVVILBGHGP-UHFFFAOYSA-N 0 0 376.503 4.448 40 0 GIABRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCCc1ccccc1)c1nc3ccccc3nc12 ZINC000002861379 570311325 /nfs/dbraw/zinc/31/13/25/570311325.db2.gz WMNIGZMMSQDKEM-LOSJGSFVSA-N 0 0 385.511 4.318 40 0 GIABRN CC(C)(C)OC(=O)NCCCCC(=O)c1ccc(N2CCCCCC2)nc1 ZINC000072216682 570317903 /nfs/dbraw/zinc/31/79/03/570317903.db2.gz SIQNRSAYHZIOER-UHFFFAOYSA-N 0 0 375.513 4.340 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cnc(N3CCCCC3)c(C)c2)cc1 ZINC000072219169 570318075 /nfs/dbraw/zinc/31/80/75/570318075.db2.gz BZBOGKWLDRUPAI-OAQYLSRUSA-N 0 0 399.560 4.215 40 0 GIABRN Cc1cc(C(=O)CCCCNC(=O)OC(C)(C)C)cnc1N1CCCCC1 ZINC000072219200 570318178 /nfs/dbraw/zinc/31/81/78/570318178.db2.gz UAGLOYCPBLHRPA-UHFFFAOYSA-N 0 0 375.513 4.258 40 0 GIABRN Cc1ccccc1[C@H]1c2c(O)n(-c3ccccc3C)c(O)c2ON1c1ccccc1 ZINC000101127553 570318779 /nfs/dbraw/zinc/31/87/79/570318779.db2.gz QOYHOFGUUCNIKW-VJBWXMMDSA-N 0 0 398.462 4.355 40 0 GIABRN COc1ccc(CCC(=O)NCCCc2ccc(OC(C)C)cc2)cc1OC ZINC000022517665 570319670 /nfs/dbraw/zinc/31/96/70/570319670.db2.gz GGRNIPAFKZBUFM-UHFFFAOYSA-N 0 0 385.504 4.173 40 0 GIABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000022516804 570319715 /nfs/dbraw/zinc/31/97/15/570319715.db2.gz XVAJXDVLESGFOT-UHFFFAOYSA-N 0 0 393.679 4.271 40 0 GIABRN CCOc1ccc(S(=O)(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1 ZINC000022534244 570321170 /nfs/dbraw/zinc/32/11/70/570321170.db2.gz SBVWWOQTARNOSQ-HXUWFJFHSA-N 0 0 377.506 4.160 40 0 GIABRN Cc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1C ZINC000022540297 570321425 /nfs/dbraw/zinc/32/14/25/570321425.db2.gz IVNJZMLPQOGNAL-CQSZACIVSA-N 0 0 382.323 4.414 40 0 GIABRN COc1ccc2c(c1)-c1nc(NC(=O)c3cc(OC)cc(OC)c3)sc1CC2 ZINC000000792525 570335636 /nfs/dbraw/zinc/33/56/36/570335636.db2.gz LVVRNYPXAYOATA-UHFFFAOYSA-N 0 0 396.468 4.187 40 0 GIABRN COc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1C(C)C ZINC000113955850 570335700 /nfs/dbraw/zinc/33/57/00/570335700.db2.gz HEHAIMDFPOGIBJ-UHFFFAOYSA-N 0 0 377.506 4.084 40 0 GIABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000023125013 570344834 /nfs/dbraw/zinc/34/48/34/570344834.db2.gz MUOUASIIQVDZOO-KRWDZBQOSA-N 0 0 382.504 4.227 40 0 GIABRN Cc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc4ccccc4c3)n2)c1 ZINC000219032981 570346261 /nfs/dbraw/zinc/34/62/61/570346261.db2.gz IIJGIOIMRRQCRP-MRXNPFEDSA-N 0 0 387.439 4.282 40 0 GIABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000219231686 570349996 /nfs/dbraw/zinc/34/99/96/570349996.db2.gz WLHIXNRWBIYUGO-FQEVSTJZSA-N 0 0 392.499 4.150 40 0 GIABRN CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccc(C)c(C)c1 ZINC000219284451 570351028 /nfs/dbraw/zinc/35/10/28/570351028.db2.gz GZNBMJRCFPCIOM-SFHVURJKSA-N 0 0 394.924 4.209 40 0 GIABRN CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccc(C)cc1C ZINC000219284499 570351037 /nfs/dbraw/zinc/35/10/37/570351037.db2.gz HVYXUNNLSLPBRP-GOSISDBHSA-N 0 0 394.924 4.209 40 0 GIABRN CCc1ccccc1O[C@@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219295475 570351483 /nfs/dbraw/zinc/35/14/83/570351483.db2.gz LJPSMDJLBNXBQZ-HNAYVOBHSA-N 0 0 383.488 4.444 40 0 GIABRN CCc1ccccc1O[C@@H](C)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000219297162 570351997 /nfs/dbraw/zinc/35/19/97/570351997.db2.gz PBGXYRLMODNIRL-AWEZNQCLSA-N 0 0 399.878 4.378 40 0 GIABRN COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCC(=O)c1ccccc1Cl ZINC000006295964 570353031 /nfs/dbraw/zinc/35/30/31/570353031.db2.gz DUDWZELWWHFIFR-UHFFFAOYSA-N 0 0 396.226 4.000 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1cccc(C)c1C ZINC000219312246 570353957 /nfs/dbraw/zinc/35/39/57/570353957.db2.gz QMYWZJUAOMMEOR-OAHLLOKOSA-N 0 0 385.489 4.231 40 0 GIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000219320768 570354774 /nfs/dbraw/zinc/35/47/74/570354774.db2.gz PCBYMGAJSDJJOS-QGZVFWFLSA-N 0 0 391.895 4.264 40 0 GIABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000219383000 570357665 /nfs/dbraw/zinc/35/76/65/570357665.db2.gz IXBXIGBLOYUAQP-HNNXBMFYSA-N 0 0 385.489 4.231 40 0 GIABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cccc2cc(O)ccc21 ZINC000006389110 570362796 /nfs/dbraw/zinc/36/27/96/570362796.db2.gz OWOBBQBDSDUJKH-UHFFFAOYSA-N 0 0 386.860 4.334 40 0 GIABRN COC(=O)c1ccccc1NC(=S)NC(=O)c1cccc2c(Cl)cccc12 ZINC000408618163 570365139 /nfs/dbraw/zinc/36/51/39/570365139.db2.gz CKZBQRBISFRDFI-UHFFFAOYSA-N 0 0 398.871 4.407 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(C)c(C)c3)n2)cc1 ZINC000219522417 570365661 /nfs/dbraw/zinc/36/56/61/570365661.db2.gz GVILDUDRKFCTHK-QGZVFWFLSA-N 0 0 379.460 4.088 40 0 GIABRN Clc1ccc(CN(Cc2nnnn2C2CCCCC2)C[C@@H]2CCCO2)cc1 ZINC000057614159 570365824 /nfs/dbraw/zinc/36/58/24/570365824.db2.gz FXICLWPMMNIWMZ-IBGZPJMESA-N 0 0 389.931 4.013 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2ccccc2OC)ccc1Cl ZINC000219563333 570368600 /nfs/dbraw/zinc/36/86/00/570368600.db2.gz LTSGJHIBVJESCT-INIZCTEOSA-N 0 0 391.851 4.321 40 0 GIABRN CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219566370 570369116 /nfs/dbraw/zinc/36/91/16/570369116.db2.gz ZVEFAMIYBUYUJR-MSOLQXFVSA-N 0 0 399.487 4.280 40 0 GIABRN 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[C@@H]32)C1 ZINC000118935744 570369120 /nfs/dbraw/zinc/36/91/20/570369120.db2.gz TVQDBRRFOFGWDS-LLQANNADSA-N 0 0 376.537 4.281 40 0 GIABRN CC[C@@H](Oc1ccccc1F)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000219584618 570369694 /nfs/dbraw/zinc/36/96/94/570369694.db2.gz YNJGNHNEPPTCPW-QGZVFWFLSA-N 0 0 383.423 4.000 40 0 GIABRN CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000219599211 570370240 /nfs/dbraw/zinc/37/02/40/570370240.db2.gz LRWSTAHGXSWPEP-KRWDZBQOSA-N 0 0 385.851 4.172 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000219610255 570370795 /nfs/dbraw/zinc/37/07/95/570370795.db2.gz DRPQISDJJXNUJC-GOSISDBHSA-N 0 0 391.895 4.264 40 0 GIABRN Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 ZINC000219687932 570373224 /nfs/dbraw/zinc/37/32/24/570373224.db2.gz MWEAXRZMYPUYRY-GJZGRUSLSA-N 0 0 392.293 4.109 40 0 GIABRN O=C(NCCc1ccc(C(F)(F)F)cc1)C1CN(Cc2ccc(Cl)cc2)C1 ZINC000057776084 570373587 /nfs/dbraw/zinc/37/35/87/570373587.db2.gz OAGXTEZMUSLECS-UHFFFAOYSA-N 0 0 396.840 4.150 40 0 GIABRN C[C@@H]1CCC[C@@H](C)N1C(=O)NCCCCCCNC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000035196460 570373963 /nfs/dbraw/zinc/37/39/63/570373963.db2.gz HZMQHKCUGXITEE-WTGUMLROSA-N 0 0 394.604 4.492 40 0 GIABRN O=C(NC(=S)NC1CCCC1)c1cccc2c(Br)cccc12 ZINC000408625109 570375943 /nfs/dbraw/zinc/37/59/43/570375943.db2.gz WIEDSIPYVYWEAK-UHFFFAOYSA-N 0 0 377.307 4.149 40 0 GIABRN Cc1ccnc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c1 ZINC000408625163 570376246 /nfs/dbraw/zinc/37/62/46/570376246.db2.gz WRCNIGPMWNJKNF-UHFFFAOYSA-N 0 0 377.469 4.096 40 0 GIABRN Cc1cccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)n1 ZINC000408625749 570377145 /nfs/dbraw/zinc/37/71/45/570377145.db2.gz ZCQGQMYECINESJ-UHFFFAOYSA-N 0 0 377.469 4.096 40 0 GIABRN CCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c(O)c1 ZINC000408626470 570378711 /nfs/dbraw/zinc/37/87/11/570378711.db2.gz HLUPORVYMDWWSB-UHFFFAOYSA-N 0 0 383.473 4.430 40 0 GIABRN CC(C)(C)C(=O)NC(=S)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000408627226 570379323 /nfs/dbraw/zinc/37/93/23/570379323.db2.gz LLEHCNWNYZNJHN-UHFFFAOYSA-N 0 0 398.351 4.432 40 0 GIABRN Cc1ccccc1OCC(=O)NC(=S)Nc1ccccc1N1CCC(C)CC1 ZINC000408626978 570379338 /nfs/dbraw/zinc/37/93/38/570379338.db2.gz JWSOVUFKCSHMIK-UHFFFAOYSA-N 0 0 397.544 4.123 40 0 GIABRN CC[C@H](C(=O)Nc1ccc(C)cc1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220557880 570388575 /nfs/dbraw/zinc/38/85/75/570388575.db2.gz LIDPZNPHQAUOBT-HXUWFJFHSA-N 0 0 388.533 4.104 40 0 GIABRN O=C(Cc1c(F)cccc1Cl)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000024931298 570399216 /nfs/dbraw/zinc/39/92/16/570399216.db2.gz GZDYJLNONIYZEV-FQEVSTJZSA-N 0 0 397.881 4.460 40 0 GIABRN CCOc1cc(C=NNc2ccccc2)cc(I)c1OC ZINC000006959208 570402955 /nfs/dbraw/zinc/40/29/55/570402955.db2.gz QNMUOGSDULKGFC-WOJGMQOQSA-N 0 0 396.228 4.145 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222488471 570412292 /nfs/dbraw/zinc/41/22/92/570412292.db2.gz QOPGVBLBDMZPLT-CQSZACIVSA-N 0 0 393.314 4.008 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 ZINC000222506544 570413072 /nfs/dbraw/zinc/41/30/72/570413072.db2.gz HEGVUNLLXGRQML-FQEVSTJZSA-N 0 0 386.923 4.215 40 0 GIABRN Cc1ccc2cc(CN(C(=O)NCc3ccccc3)C3CCCC3)c(=O)[nH]c2c1 ZINC000001352748 570413690 /nfs/dbraw/zinc/41/36/90/570413690.db2.gz BKZPYIACFYEANA-UHFFFAOYSA-N 0 0 389.499 4.491 40 0 GIABRN COc1ccc(-n2ccc([C@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2)cc1 ZINC000222637689 570417974 /nfs/dbraw/zinc/41/79/74/570417974.db2.gz XXXCVYINRMRJNP-JHVJFLLYSA-N 0 0 390.512 4.470 40 0 GIABRN COc1ccc(-n2ccc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2)cc1 ZINC000222637479 570417992 /nfs/dbraw/zinc/41/79/92/570417992.db2.gz XXXCVYINRMRJNP-IWMITWMQSA-N 0 0 390.512 4.470 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000222640740 570418150 /nfs/dbraw/zinc/41/81/50/570418150.db2.gz IDTFUHNNVIZZHP-QFIPXVFZSA-N 0 0 398.522 4.317 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(OC)cc3OC)N21 ZINC000222646963 570418465 /nfs/dbraw/zinc/41/84/65/570418465.db2.gz HSLHXOZSUAVIEN-SMHULIPUSA-N 0 0 399.516 4.087 40 0 GIABRN CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)ccc1OC ZINC000222660808 570419353 /nfs/dbraw/zinc/41/93/53/570419353.db2.gz MLWLBRJNQJIOPL-UIAACRFSSA-N 0 0 383.517 4.468 40 0 GIABRN COc1cc(CNC(=O)CCc2cccc3ccccc32)cc(OC)c1OC ZINC000222674390 570420156 /nfs/dbraw/zinc/42/01/56/570420156.db2.gz BOQAOQPXKROYNY-UHFFFAOYSA-N 0 0 379.456 4.115 40 0 GIABRN COc1ccc2cc(CN(C(=O)c3ccccc3)C3CCCC3)c(=O)[nH]c2c1 ZINC000004231072 570421249 /nfs/dbraw/zinc/42/12/49/570421249.db2.gz JFTDKYOJEKPMFX-UHFFFAOYSA-N 0 0 376.456 4.122 40 0 GIABRN COc1ccc2c(c1)[C@H](NC(=O)CSCc1ccccc1F)CC(C)(C)O2 ZINC000222711823 570421786 /nfs/dbraw/zinc/42/17/86/570421786.db2.gz XIOQOQZEUBWAAN-GOSISDBHSA-N 0 0 389.492 4.486 40 0 GIABRN COc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccccc1F)CC(C)(C)O2 ZINC000222711759 570421831 /nfs/dbraw/zinc/42/18/31/570421831.db2.gz XIOQOQZEUBWAAN-SFHVURJKSA-N 0 0 389.492 4.486 40 0 GIABRN Cc1cccc(CN(C(=O)CSc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222713310 570421924 /nfs/dbraw/zinc/42/19/24/570421924.db2.gz FGPURKKRSVBQIK-SFHVURJKSA-N 0 0 398.572 4.419 40 0 GIABRN CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 ZINC000222728251 570422783 /nfs/dbraw/zinc/42/27/83/570422783.db2.gz MHKBTBMRZFYGPB-ROUUACIJSA-N 0 0 391.525 4.084 40 0 GIABRN CCCCOc1ccccc1NC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O ZINC000001777496 570422985 /nfs/dbraw/zinc/42/29/85/570422985.db2.gz FSWRHZLYHOSZNR-FQEVSTJZSA-N 0 0 394.471 4.125 40 0 GIABRN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000026527487 570426228 /nfs/dbraw/zinc/42/62/28/570426228.db2.gz RRNPBACZGIPXQF-UHFFFAOYSA-N 0 0 394.663 4.234 40 0 GIABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1nccs1 ZINC000222817842 570427349 /nfs/dbraw/zinc/42/73/49/570427349.db2.gz JEZNVZWPDAZIPN-QZTJIDSGSA-N 0 0 397.573 4.327 40 0 GIABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000222829564 570428207 /nfs/dbraw/zinc/42/82/07/570428207.db2.gz ITIWQURKKXCRNX-KRWDZBQOSA-N 0 0 386.923 4.482 40 0 GIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 ZINC000222859454 570429365 /nfs/dbraw/zinc/42/93/65/570429365.db2.gz VLJNTBUROFNXIP-KBPBESRZSA-N 0 0 382.352 4.288 40 0 GIABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000222890163 570430156 /nfs/dbraw/zinc/43/01/56/570430156.db2.gz HOQIFTHNJVREDQ-RTBURBONSA-N 0 0 397.935 4.303 40 0 GIABRN Cc1ccc(C)c(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222895549 570430513 /nfs/dbraw/zinc/43/05/13/570430513.db2.gz OSSYTQCQYRIMPZ-GOSISDBHSA-N 0 0 398.522 4.317 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1 ZINC000222948667 570432640 /nfs/dbraw/zinc/43/26/40/570432640.db2.gz LNHULNPJNFUZNU-IBGZPJMESA-N 0 0 398.572 4.253 40 0 GIABRN Cc1cccc(C)c1N1C[C@H](C(=O)Nc2ccc(Br)cc2)CC1=O ZINC000007928329 570432806 /nfs/dbraw/zinc/43/28/06/570432806.db2.gz NWTYCUNAKSTKRJ-CQSZACIVSA-N 0 0 387.277 4.058 40 0 GIABRN COc1cccc(OC)c1C(=O)N1c2ccc(Br)cc2C[C@H]1C ZINC000222956217 570433103 /nfs/dbraw/zinc/43/31/03/570433103.db2.gz QIQOVTXUAPRFIE-LLVKDONJSA-N 0 0 376.250 4.058 40 0 GIABRN C[C@@H](OC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)N[C@H]1CCCC[C@H]1C ZINC000005359242 570435180 /nfs/dbraw/zinc/43/51/80/570435180.db2.gz HWBFZRFLNVYRDS-KKZNHRDASA-N 0 0 393.698 4.282 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000222994123 570435839 /nfs/dbraw/zinc/43/58/39/570435839.db2.gz OSJIAFKXCGRDPM-KRWDZBQOSA-N 0 0 386.923 4.216 40 0 GIABRN CC[C@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000223019259 570437650 /nfs/dbraw/zinc/43/76/50/570437650.db2.gz HEMWXAQKFFPUHF-DEOSSOPVSA-N 0 0 392.543 4.279 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 ZINC000223026045 570438226 /nfs/dbraw/zinc/43/82/26/570438226.db2.gz GHJZNFZSJPTLIQ-MGPUTAFESA-N 0 0 391.895 4.398 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 ZINC000223033833 570438605 /nfs/dbraw/zinc/43/86/05/570438605.db2.gz LLGHZBXMCHBTTI-GOSISDBHSA-N 0 0 399.878 4.481 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C ZINC000223044475 570439469 /nfs/dbraw/zinc/43/94/69/570439469.db2.gz DXIMGOAPQGLEFU-HXUWFJFHSA-N 0 0 396.531 4.016 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 ZINC000223144235 570446826 /nfs/dbraw/zinc/44/68/26/570446826.db2.gz RVJWNVSDRMZLKK-KRWDZBQOSA-N 0 0 386.923 4.216 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl ZINC000223149509 570447400 /nfs/dbraw/zinc/44/74/00/570447400.db2.gz UGXKKGHDSXDZDK-SFHVURJKSA-N 0 0 393.314 4.089 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000223178526 570448116 /nfs/dbraw/zinc/44/81/16/570448116.db2.gz ODBPPMSXCNZICK-NRFANRHFSA-N 0 0 380.532 4.260 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 ZINC000223175989 570448197 /nfs/dbraw/zinc/44/81/97/570448197.db2.gz CUSWVOLNFDPLLK-OAQYLSRUSA-N 0 0 396.531 4.096 40 0 GIABRN CC[C@H](NS(=O)(=O)c1ccc(OC)c(C)c1C)c1ccc(OC)c(C)c1 ZINC000223191783 570449182 /nfs/dbraw/zinc/44/91/82/570449182.db2.gz RIHPPLLNOFXQBZ-KRWDZBQOSA-N 0 0 377.506 4.059 40 0 GIABRN COc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(Cl)cc1F)CC(C)(C)O2 ZINC000223225931 570451072 /nfs/dbraw/zinc/45/10/72/570451072.db2.gz PSGNDQRFWFUJOS-KRWDZBQOSA-N 0 0 377.843 4.449 40 0 GIABRN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000223271288 570455252 /nfs/dbraw/zinc/45/52/52/570455252.db2.gz CEPUUFZLBFTUCV-UHFFFAOYSA-N 0 0 396.468 4.262 40 0 GIABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1C(C)C ZINC000223305322 570457178 /nfs/dbraw/zinc/45/71/78/570457178.db2.gz KRIVJEHMIOMHNS-IOMROCGXSA-N 0 0 398.576 4.232 40 0 GIABRN COc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2ccccc2F)cc1C(C)C ZINC000223323496 570458547 /nfs/dbraw/zinc/45/85/47/570458547.db2.gz ORJXKPVSXYCVKU-OAHLLOKOSA-N 0 0 379.497 4.447 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1C[C@@H]1CCCO1 ZINC000223326709 570458578 /nfs/dbraw/zinc/45/85/78/570458578.db2.gz QBWXCYYFNXVURZ-CEWLAPEOSA-N 0 0 396.560 4.150 40 0 GIABRN COc1ccc(-n2nc3cc(Cl)c(N)c(Br)c3n2)cc1Cl ZINC000226300611 570459359 /nfs/dbraw/zinc/45/93/59/570459359.db2.gz LOEKIQQNBQNWCX-UHFFFAOYSA-N 0 0 388.052 4.081 40 0 GIABRN CCC1(CC)C[C@H](NS(=O)(=O)c2ccc(OC)c(F)c2)c2ccccc2O1 ZINC000223548831 570470788 /nfs/dbraw/zinc/47/07/88/570470788.db2.gz MBWPWKRWYGLTAE-KRWDZBQOSA-N 0 0 393.480 4.195 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 ZINC000223550764 570470807 /nfs/dbraw/zinc/47/08/07/570470807.db2.gz QXCGFVXYSBSLFK-IBGZPJMESA-N 0 0 398.572 4.339 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCSCc1ccccc1 ZINC000223582926 570472816 /nfs/dbraw/zinc/47/28/16/570472816.db2.gz RYEJOTDKHLSTNH-LJQANCHMSA-N 0 0 398.572 4.172 40 0 GIABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1nc2ccc(NC(C)=O)cc2o1 ZINC000006305017 570476467 /nfs/dbraw/zinc/47/64/67/570476467.db2.gz PFJASSFDUFSOJY-UHFFFAOYSA-N 0 0 394.214 4.354 40 0 GIABRN CC(=O)Nc1ccc2nc(NC(=O)COc3ccc(C(C)(C)C)cc3)oc2c1 ZINC000006304980 570476531 /nfs/dbraw/zinc/47/65/31/570476531.db2.gz NMMGDHDYKSYSBM-UHFFFAOYSA-N 0 0 381.432 4.101 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 ZINC000223717742 570480985 /nfs/dbraw/zinc/48/09/85/570480985.db2.gz FHNFSGHNSBOACH-OAQYLSRUSA-N 0 0 398.522 4.133 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)Cc2cccc(Cl)c2)c(Cl)c1Cl ZINC000223717921 570481163 /nfs/dbraw/zinc/48/11/63/570481163.db2.gz QJZFHEDRBQKMBP-UHFFFAOYSA-N 0 0 394.707 4.476 40 0 GIABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223722352 570481556 /nfs/dbraw/zinc/48/15/56/570481556.db2.gz OMTAODLWHSTXOF-IBGZPJMESA-N 0 0 378.516 4.095 40 0 GIABRN Cc1cccc(C)c1NC(=O)Cn1cc(C=O)c2cc(Br)ccc21 ZINC000006628218 570485401 /nfs/dbraw/zinc/48/54/01/570485401.db2.gz PTDACYDJADEXLQ-UHFFFAOYSA-N 0 0 385.261 4.472 40 0 GIABRN CN(C(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)C1CCCC1 ZINC000030856964 570498890 /nfs/dbraw/zinc/49/88/90/570498890.db2.gz PXKBZMCNMZNRGE-UHFFFAOYSA-N 0 0 392.908 4.155 40 0 GIABRN CCOc1ccccc1CNC(=O)COc1ccc(CC)cc1Br ZINC000030858590 570499151 /nfs/dbraw/zinc/49/91/51/570499151.db2.gz YHWCGVXAFHWJIN-UHFFFAOYSA-N 0 0 392.293 4.105 40 0 GIABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(CN2CCOCC2)c1 ZINC000030863429 570499530 /nfs/dbraw/zinc/49/95/30/570499530.db2.gz ZWEUDOSWAUGFQQ-UHFFFAOYSA-N 0 0 398.812 4.443 40 0 GIABRN CCOc1ccccc1CNC(=O)COc1ccc(Br)cc1Cl ZINC000030863283 570499596 /nfs/dbraw/zinc/49/95/96/570499596.db2.gz LVJQXSFRVQBKFY-UHFFFAOYSA-N 0 0 398.684 4.196 40 0 GIABRN CCOc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(Br)cc2)cc1 ZINC000030865007 570499922 /nfs/dbraw/zinc/49/99/22/570499922.db2.gz UMJOGNQPAOPEMI-ZDUSSCGKSA-N 0 0 398.322 4.028 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1 ZINC000030943421 570501421 /nfs/dbraw/zinc/50/14/21/570501421.db2.gz ZXSLIEHIRGEQKE-UHFFFAOYSA-N 0 0 391.471 4.449 40 0 GIABRN Cc1cc2cc3c(cc2n2c(SCC(=O)c4ccc(F)cc4)nnc12)OCO3 ZINC000000877464 570504765 /nfs/dbraw/zinc/50/47/65/570504765.db2.gz DJWLJDZVEVRTIU-UHFFFAOYSA-N 0 0 395.415 4.034 40 0 GIABRN Cc1ccc(NC(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@@H]3C2(C)C)c(C)c1 ZINC000000886771 570510886 /nfs/dbraw/zinc/51/08/86/570510886.db2.gz XXQKEIOQSLYDIE-LHSJRXKWSA-N 0 0 382.533 4.394 40 0 GIABRN COc1ccc(C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)cc1 ZINC000000888354 570511424 /nfs/dbraw/zinc/51/14/24/570511424.db2.gz MNRCTJYCDAUCCW-UHFFFAOYSA-N 0 0 390.848 4.286 40 0 GIABRN Cc1ccc(-c2noc(CNC(=O)COc3ccc(Cl)cc3Cl)n2)cc1 ZINC000007721145 570513463 /nfs/dbraw/zinc/51/34/63/570513463.db2.gz XASZSQSVEKHKTP-UHFFFAOYSA-N 0 0 392.242 4.047 40 0 GIABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCOc1cccc(OC)c1 ZINC000224456587 570513729 /nfs/dbraw/zinc/51/37/29/570513729.db2.gz BXWAVNORUXGLES-OAQYLSRUSA-N 0 0 379.456 4.201 40 0 GIABRN Cc1cccc2cc(CN(Cc3ccccc3)C(=S)NCC(C)C)c(=O)[nH]c12 ZINC000000902430 570514424 /nfs/dbraw/zinc/51/44/24/570514424.db2.gz YEGTWQSKQQOSTD-UHFFFAOYSA-N 0 0 393.556 4.369 40 0 GIABRN Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)NCc3ccccc3)n12 ZINC000000902969 570514701 /nfs/dbraw/zinc/51/47/01/570514701.db2.gz DRZLWWHCWFYEGX-UHFFFAOYSA-N 0 0 390.512 4.216 40 0 GIABRN Cc1ccc2cc(C)c3nnc(SCC(=O)N4[C@@H](C)CCC[C@@H]4C)n3c2c1 ZINC000000903066 570515238 /nfs/dbraw/zinc/51/52/38/570515238.db2.gz TVYZPBMGDFTELO-HOTGVXAUSA-N 0 0 382.533 4.381 40 0 GIABRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2ccccc2c1=O ZINC000000905590 570516134 /nfs/dbraw/zinc/51/61/34/570516134.db2.gz IAGUGCJDDMUWTL-UHFFFAOYSA-N 0 0 387.892 4.109 40 0 GIABRN C[C@]12C[C@H](NC(=S)N1c1cccc(Br)c1)c1ccccc1O2 ZINC000002963276 570517504 /nfs/dbraw/zinc/51/75/04/570517504.db2.gz LMHBBUFFSFSFQC-YOEHRIQHSA-N 0 0 375.291 4.384 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 ZINC000224690763 570524832 /nfs/dbraw/zinc/52/48/32/570524832.db2.gz BFTGKPQMLOKJIW-FQEVSTJZSA-N 0 0 380.532 4.180 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c1 ZINC000224705363 570526001 /nfs/dbraw/zinc/52/60/01/570526001.db2.gz LPPZKJCGNYMQPF-HXUWFJFHSA-N 0 0 392.543 4.404 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 ZINC000224706383 570526231 /nfs/dbraw/zinc/52/62/31/570526231.db2.gz PUTBPBJLQZGOSW-IBGZPJMESA-N 0 0 398.572 4.421 40 0 GIABRN CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000224727671 570527461 /nfs/dbraw/zinc/52/74/61/570527461.db2.gz URRLWMYCEZCMOY-UHFFFAOYSA-N 0 0 394.212 4.293 40 0 GIABRN O=C(c1cn(CCN2CCOCC2)c2ccccc12)c1cccc2ccccc21 ZINC000033848576 570529795 /nfs/dbraw/zinc/52/97/95/570529795.db2.gz SZWYXJHTNGJPKU-UHFFFAOYSA-N 0 0 384.479 4.358 40 0 in-vitro GIABRN CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(-c2cccc(Cl)c2C)o1 ZINC000001085049 570537134 /nfs/dbraw/zinc/53/71/34/570537134.db2.gz OZQXSJGBHCCBBZ-GOSISDBHSA-N 0 0 388.851 4.442 40 0 GIABRN Nc1nnc(SCc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)s1 ZINC000001085563 570537500 /nfs/dbraw/zinc/53/75/00/570537500.db2.gz QPTXZNWECIGKMB-UHFFFAOYSA-N 0 0 376.894 4.318 40 0 GIABRN COc1cc2cc(C)c(SCC(=O)NCc3cccs3)nc2cc1OC ZINC000000928356 570539347 /nfs/dbraw/zinc/53/93/47/570539347.db2.gz AYLHHPGAYPRWJO-UHFFFAOYSA-N 0 0 388.514 4.030 40 0 GIABRN CC(=O)Nc1ccc(C(=O)CSc2nc3cc4c(cc3cc2C)OCO4)cc1 ZINC000000930054 570540378 /nfs/dbraw/zinc/54/03/78/570540378.db2.gz VKUWDEGEKXSEKL-UHFFFAOYSA-N 0 0 394.452 4.205 40 0 GIABRN CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3ncc(Br)cc23)CC1 ZINC000095642055 570541741 /nfs/dbraw/zinc/54/17/41/570541741.db2.gz YQPPUGHPDWGKCR-UHFFFAOYSA-N 0 0 378.270 4.350 40 0 GIABRN COc1cc(-c2cc(-c3cc4ccccc4o3)nc(N)n2)cc(OC)c1OC ZINC000096136982 570542899 /nfs/dbraw/zinc/54/28/99/570542899.db2.gz OQXQYIRTWSAXPH-UHFFFAOYSA-N 0 0 377.400 4.165 40 0 GIABRN CCCCOc1cccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)n[nH]2)c1 ZINC000008928348 570544577 /nfs/dbraw/zinc/54/45/77/570544577.db2.gz UWQQMVHKIFVTJQ-UHFFFAOYSA-N 0 0 393.491 4.231 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)C(C)C)ccc2C)c(C)c1 ZINC000225201098 570555674 /nfs/dbraw/zinc/55/56/74/570555674.db2.gz AOTXOHASLYRZOF-KRWDZBQOSA-N 0 0 388.533 4.187 40 0 GIABRN CCc1ccc([C@H](C)NC(=O)c2cccc(I)c2)cc1 ZINC000070134365 570556894 /nfs/dbraw/zinc/55/68/94/570556894.db2.gz QOKGPZBZWOAZNO-LBPRGKRZSA-N 0 0 379.241 4.345 40 0 GIABRN Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)c1 ZINC000100837905 570561144 /nfs/dbraw/zinc/56/11/44/570561144.db2.gz MIIQIGDVJVVLPG-FKBYEOEOSA-N 0 0 384.435 4.046 40 0 GIABRN Cc1nccn1Cc1ccc(C(=O)Nc2nnc(SCC(C)C)s2)cc1 ZINC000225301068 570562810 /nfs/dbraw/zinc/56/28/10/570562810.db2.gz CCSQWDPSRVKNOV-UHFFFAOYSA-N 0 0 387.534 4.092 40 0 GIABRN CCOc1ccc(-c2noc(CNC(=O)CCc3ccc(Cl)cc3)n2)cc1 ZINC000225312558 570563963 /nfs/dbraw/zinc/56/39/63/570563963.db2.gz KJZSCAGUGSYVFD-UHFFFAOYSA-N 0 0 385.851 4.038 40 0 GIABRN CC[C@H](NS(=O)(=O)c1ccc2cc(OC)ccc2c1)c1ccc(OC)cc1 ZINC000225315096 570564412 /nfs/dbraw/zinc/56/44/12/570564412.db2.gz XXUCPOZDTKUUEU-NRFANRHFSA-N 0 0 385.485 4.287 40 0 GIABRN COc1cc(-c2nc3cc(NC(=O)C(F)(F)F)ccc3o2)cc(OC)c1OC ZINC000010120210 570565909 /nfs/dbraw/zinc/56/59/09/570565909.db2.gz HYNMZWYEANDCOC-UHFFFAOYSA-N 0 0 396.321 4.021 40 0 GIABRN CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1 ZINC000225357717 570567134 /nfs/dbraw/zinc/56/71/34/570567134.db2.gz GOJLBOGRZUCRSA-RTWAWAEBSA-N 0 0 392.528 4.384 40 0 GIABRN COc1ccc(NC(=O)CSc2ncccc2-c2nc3ccccc3[nH]2)cc1 ZINC000001329188 570567562 /nfs/dbraw/zinc/56/75/62/570567562.db2.gz BYKASUMPRBRSLB-UHFFFAOYSA-N 0 0 390.468 4.364 40 0 GIABRN COC(=O)c1cc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc(C(=O)OC)c1 ZINC000010334006 570569278 /nfs/dbraw/zinc/56/92/78/570569278.db2.gz BOZFVPOCCPPXMM-UHFFFAOYSA-N 0 0 397.471 4.129 40 0 GIABRN Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 ZINC000010336309 570569469 /nfs/dbraw/zinc/56/94/69/570569469.db2.gz CNXJJPHBEDPGIY-KRWDZBQOSA-N 0 0 388.533 4.220 40 0 GIABRN CCc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)C3CCCCC3)cc2c1 ZINC000001359302 570575316 /nfs/dbraw/zinc/57/53/16/570575316.db2.gz GSQUYFJAFPXDMP-OAQYLSRUSA-N 0 0 396.531 4.178 40 0 GIABRN O=C(CSCc1ccc(Br)cc1)N1CCc2ccccc2C1 ZINC000072445807 570576558 /nfs/dbraw/zinc/57/65/58/570576558.db2.gz JYACVQQWXPHWIX-UHFFFAOYSA-N 0 0 376.319 4.267 40 0 GIABRN CCCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccccn1 ZINC000001362589 570576880 /nfs/dbraw/zinc/57/68/80/570576880.db2.gz HYBUSJQLDWMOIF-UHFFFAOYSA-N 0 0 381.505 4.043 40 0 GIABRN COc1cccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C)cc4)no3)C2)c1 ZINC000001363496 570577635 /nfs/dbraw/zinc/57/76/35/570577635.db2.gz KEXVZHNHGLLMJT-GOSISDBHSA-N 0 0 377.444 4.073 40 0 GIABRN COc1ccccc1C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000001363819 570577772 /nfs/dbraw/zinc/57/77/72/570577772.db2.gz ZJNGHUMWDROUTL-OAHLLOKOSA-N 0 0 397.862 4.418 40 0 GIABRN O=C(NC1CCCC1)[C@@H](c1ccco1)N(C(=O)c1ccco1)c1ccccc1 ZINC000001379933 570583454 /nfs/dbraw/zinc/58/34/54/570583454.db2.gz CSKYTUVTTXQITQ-HXUWFJFHSA-N 0 0 378.428 4.320 40 0 GIABRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21 ZINC000040133237 570596026 /nfs/dbraw/zinc/59/60/26/570596026.db2.gz PXNNOTNHODLLFS-RYQXAFMISA-N 0 0 381.495 4.112 40 0 GIABRN Cc1cccc(C)c1N1C(=O)[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccccc2)C1=O ZINC000101026376 570603455 /nfs/dbraw/zinc/60/34/55/570603455.db2.gz SYBDVGVMJKJPBQ-MZYLBHOOSA-N 0 0 398.462 4.355 40 0 GIABRN CCCCNC(=S)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000004132588 570617788 /nfs/dbraw/zinc/61/77/88/570617788.db2.gz OBLMZWLPSYRXTI-UHFFFAOYSA-N 0 0 383.517 4.106 40 0 GIABRN CCn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nnc1-c1ccccc1 ZINC000004161269 570619788 /nfs/dbraw/zinc/61/97/88/570619788.db2.gz BJVSPPLJHWTYJL-UHFFFAOYSA-N 0 0 399.545 4.031 40 0 GIABRN CCCCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccncc1 ZINC000004161393 570620240 /nfs/dbraw/zinc/62/02/40/570620240.db2.gz RNCJGBJQAYXSGB-UHFFFAOYSA-N 0 0 385.468 4.010 40 0 GIABRN Cc1cc2cc3c(cc2nc1SCc1cc(=O)[nH]c2ccccc12)OCO3 ZINC000004162197 570620562 /nfs/dbraw/zinc/62/05/62/570620562.db2.gz CTRRHKANAIPVPP-UHFFFAOYSA-N 0 0 376.437 4.406 40 0 GIABRN COc1ccccc1[C@@H](OC(=O)c1cccs1)C(=O)NCCc1ccccc1 ZINC000004901399 570637413 /nfs/dbraw/zinc/63/74/13/570637413.db2.gz HAMMKFPHCOADRP-HXUWFJFHSA-N 0 0 395.480 4.014 40 0 GIABRN CCc1ccc2c(c1)c1nnc(SCC(=O)c3ccc(OC)cc3)nc1n2C ZINC000004856324 570638267 /nfs/dbraw/zinc/63/82/67/570638267.db2.gz KMFYHWMYFKCQJX-UHFFFAOYSA-N 0 0 392.484 4.063 40 0 GIABRN O=C(NC1(c2ccc(Cl)cc2)CCC1)c1cc(-n2cnnc2)ccc1Cl ZINC000012361843 570646305 /nfs/dbraw/zinc/64/63/05/570646305.db2.gz CIXYVBDSKGGBMP-UHFFFAOYSA-N 0 0 387.270 4.383 40 0 GIABRN CCOc1ccc(NC(=O)N[C@H](C)c2nnc(-c3ccc(Cl)cc3)[nH]2)cc1 ZINC000005001888 570652197 /nfs/dbraw/zinc/65/21/97/570652197.db2.gz MOJSNADYLOREJK-GFCCVEGCSA-N 0 0 385.855 4.407 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)CSc2cc(C)c3ccccc3n2)cc1 ZINC000005007733 570652997 /nfs/dbraw/zinc/65/29/97/570652997.db2.gz SGBJLWMCSNFVCE-UHFFFAOYSA-N 0 0 380.469 4.451 40 0 GIABRN Cc1ccc(NC(=O)NC2(C(=O)NCc3ccc(F)cc3)CCCCC2)cc1 ZINC000004965390 570653799 /nfs/dbraw/zinc/65/37/99/570653799.db2.gz CZTZRWGKJYKKAF-UHFFFAOYSA-N 0 0 383.467 4.275 40 0 GIABRN COc1ccc(OC)c(/C=C2/SC(=O)N(CNc3cc(C)ccc3C)C2=O)c1 ZINC000059457335 570654178 /nfs/dbraw/zinc/65/41/78/570654178.db2.gz NBJWAVLIUAYLSJ-YBFXNURJSA-N 0 0 398.484 4.427 40 0 GIABRN O=C(CSc1nnc2scc(-c3ccc(F)cc3)n12)Nc1ccccc1 ZINC000004967164 570654280 /nfs/dbraw/zinc/65/42/80/570654280.db2.gz NMKVOYDWCBBTKP-UHFFFAOYSA-N 0 0 384.461 4.328 40 0 GIABRN CCOc1cc([C@@H]2Nc3c(sc(=S)n3-c3ccccc3)C(=O)N2)ccc1O ZINC000059459453 570654272 /nfs/dbraw/zinc/65/42/72/570654272.db2.gz AINXKAJXWYDLJH-MRXNPFEDSA-N 0 0 399.497 4.227 40 0 GIABRN COc1ccc(OC)c(/C=C2/SC(=O)N(CNc3ccc(C)c(C)c3)C2=O)c1 ZINC000059457333 570654365 /nfs/dbraw/zinc/65/43/65/570654365.db2.gz QXGCKDDFIYJBNB-YBFXNURJSA-N 0 0 398.484 4.427 40 0 GIABRN CCCCc1ccc(NC(=O)C(=O)NCCOc2cccc3ccccc32)cc1 ZINC000059417430 570656174 /nfs/dbraw/zinc/65/61/74/570656174.db2.gz RQWKKJOKGOPBRY-UHFFFAOYSA-N 0 0 390.483 4.316 40 0 GIABRN COc1ccccc1NC(=O)NC1(C(=O)N2C[C@@H](C)C[C@H](C)C2)CCCCC1 ZINC000004981977 570656266 /nfs/dbraw/zinc/65/62/66/570656266.db2.gz KOUBUACVEKPXEJ-IRXDYDNUSA-N 0 0 387.524 4.024 40 0 GIABRN O=C(Nc1ccccc1Cl)NC1(C(=O)NCc2ccco2)CCCCC1 ZINC000004982036 570656423 /nfs/dbraw/zinc/65/64/23/570656423.db2.gz CTQDMKZWNFJQGP-UHFFFAOYSA-N 0 0 375.856 4.074 40 0 GIABRN CCC(=O)Nc1ccc2nc(S[C@H](C)C(=O)Nc3nccs3)sc2c1 ZINC000059489609 570658725 /nfs/dbraw/zinc/65/87/25/570658725.db2.gz LALZDMGMMRRMQP-SECBINFHSA-N 0 0 392.531 4.221 40 0 GIABRN CC(C)C(=O)Nc1nnc(SCC(=O)Nc2cccc3ccccc32)s1 ZINC000006325151 570669367 /nfs/dbraw/zinc/66/93/67/570669367.db2.gz LYHHGKSSFXUNCY-UHFFFAOYSA-N 0 0 386.502 4.017 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@@H]3c2ccccc2)cc1 ZINC000006679255 570673623 /nfs/dbraw/zinc/67/36/23/570673623.db2.gz FTXOXDNKTQEHJO-IFXJQAMLSA-N 0 0 379.485 4.353 40 0 GIABRN C[C@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3cccc(Cl)c3)c2)C1 ZINC000006680923 570674764 /nfs/dbraw/zinc/67/47/64/570674764.db2.gz FHERMMIPAIZXAP-LBPRGKRZSA-N 0 0 398.937 4.074 40 0 GIABRN CCc1cccc(C)c1NC(=O)CSc1nnc2c3ccccc3[nH]c2n1 ZINC000006860438 570675630 /nfs/dbraw/zinc/67/56/30/570675630.db2.gz YFELFLCYENVIGV-UHFFFAOYSA-N 0 0 377.473 4.108 40 0 GIABRN O=C1S/C(=C\c2cc3c(cc2Cl)OCO3)C(=O)N1CCc1ccccc1 ZINC000409008194 570692663 /nfs/dbraw/zinc/69/26/63/570692663.db2.gz WGLCDLMRSWGRKR-MFOYZWKCSA-N 0 0 387.844 4.348 40 0 GIABRN COc1ccc(NC(=S)NCCCN2c3ccccc3C[C@H]2C)cc1Cl ZINC000260742432 570702508 /nfs/dbraw/zinc/70/25/08/570702508.db2.gz WDWIEBCTFZHCEE-CQSZACIVSA-N 0 0 389.952 4.476 40 0 GIABRN CCCOc1cc2c(cc1[C@@H]1[C@H](c3ccccn3)N=C3S[C@H](C)CN31)OCO2 ZINC000260763088 570703788 /nfs/dbraw/zinc/70/37/88/570703788.db2.gz IKIPGGZFXIEIDM-CAYVGHNUSA-N 0 0 397.500 4.188 40 0 GIABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCCN1c2ccccc2C[C@H]1C ZINC000260808127 570708344 /nfs/dbraw/zinc/70/83/44/570708344.db2.gz FUNOFHVAQFHLII-MOPGFXCFSA-N 0 0 392.543 4.290 40 0 GIABRN CCCC[C@H](CC)CNC(=O)[C@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000260841698 570710026 /nfs/dbraw/zinc/71/00/26/570710026.db2.gz BROKJXCUUYGIJY-ICSRJNTNSA-N 0 0 396.597 4.181 40 0 GIABRN CCOc1ccc(C(=O)NCCCN2c3ccccc3C[C@H]2C)cc1OCC ZINC000260842702 570710383 /nfs/dbraw/zinc/71/03/83/570710383.db2.gz RQMJCVMSODQCGC-QGZVFWFLSA-N 0 0 382.504 4.055 40 0 GIABRN COc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(OC)c3)cc2)cc1 ZINC000003065189 570722879 /nfs/dbraw/zinc/72/28/79/570722879.db2.gz UFRKGUADAJIEPH-UHFFFAOYSA-N 0 0 376.412 4.208 40 0 GIABRN COc1ccc(C(=O)Nc2cccc(-c3csc(NC(C)=O)n3)c2)cc1OC ZINC000004129384 570726726 /nfs/dbraw/zinc/72/67/26/570726726.db2.gz NNPRHVXTWCJBSB-UHFFFAOYSA-N 0 0 397.456 4.038 40 0 GIABRN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(Br)cc1 ZINC000005571698 570733917 /nfs/dbraw/zinc/73/39/17/570733917.db2.gz CTUNMRDKNNLHNT-UHFFFAOYSA-N 0 0 383.698 4.158 40 0 GIABRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C(Cl)(Cl)Cl)c2C(N)=O)C1 ZINC000005902847 570736268 /nfs/dbraw/zinc/73/62/68/570736268.db2.gz XUHSZOMSHWBYLU-ZETCQYMHSA-N 0 0 397.755 4.307 40 0 GIABRN O=C(CSCc1c(F)cccc1Cl)N1CCN(c2ccccc2F)CC1 ZINC000006269449 570740374 /nfs/dbraw/zinc/74/03/74/570740374.db2.gz XHMKITBJPSVBBM-UHFFFAOYSA-N 0 0 396.890 4.200 40 0 GIABRN COC(=O)c1ccc(-c2n(O)c(-c3ccccc3)c(-c3ccccc3)[n+]2[O-])cc1 ZINC000006453199 570743148 /nfs/dbraw/zinc/74/31/48/570743148.db2.gz RAXRJZSWFCHVCZ-UHFFFAOYSA-N 0 0 386.407 4.146 40 0 GIABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000006386315 570744127 /nfs/dbraw/zinc/74/41/27/570744127.db2.gz OJNTYPYRGQCQOL-UHFFFAOYSA-N 0 0 396.299 4.469 40 0 GIABRN O=C(CSc1nnc(-c2ccccn2)o1)Nc1ccc(Cl)c(Cl)c1 ZINC000006537001 570746867 /nfs/dbraw/zinc/74/68/67/570746867.db2.gz ACZPLIAMBHZEIN-UHFFFAOYSA-N 0 0 381.244 4.169 40 0 GIABRN CCCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)OC)C1=O ZINC000006651796 570748801 /nfs/dbraw/zinc/74/88/01/570748801.db2.gz IPEYTWRPJLOBHU-PDGQHHTCSA-N 0 0 399.468 4.228 40 0 GIABRN Cc1cc(Br)cc(C)c1NC(=O)Cn1cc(C=O)c2ccccc21 ZINC000006792843 570749764 /nfs/dbraw/zinc/74/97/64/570749764.db2.gz FUQGLXRPUZJTFA-UHFFFAOYSA-N 0 0 385.261 4.472 40 0 GIABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2cccc(O[C@@H](C)CC)c2)cc1 ZINC000006713316 570750064 /nfs/dbraw/zinc/75/00/64/570750064.db2.gz XSNJRMPSEJZXRB-AWEZNQCLSA-N 0 0 399.516 4.339 40 0 GIABRN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)cc2n1 ZINC000013225517 570750491 /nfs/dbraw/zinc/75/04/91/570750491.db2.gz VMNXFTDQMWIMRS-OAHLLOKOSA-N 0 0 394.441 4.343 40 0 GIABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)[C@@H]4CC=CCC4)C3)cc2n1 ZINC000013225514 570750712 /nfs/dbraw/zinc/75/07/12/570750712.db2.gz YGCSCBLIDJCXOY-CABCVRRESA-N 0 0 392.425 4.119 40 0 GIABRN Cc1ccsc1C(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21 ZINC000013227769 570751057 /nfs/dbraw/zinc/75/10/57/570751057.db2.gz PUNUWFDNWXLEGF-QGZVFWFLSA-N 0 0 378.501 4.352 40 0 GIABRN CC(=O)[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC5(OCCO5)[C@@]4(C)CC[C@@H]32)C1 ZINC000013408625 570754427 /nfs/dbraw/zinc/75/44/27/570754427.db2.gz WVWLZTRPYHOEKB-QYLGYJGISA-N 0 0 376.537 4.092 40 0 GIABRN Ic1cccc(CSc2nnc(-c3ccncc3)o2)c1 ZINC000013442468 570754877 /nfs/dbraw/zinc/75/48/77/570754877.db2.gz ZRHRPGSSSVYBRG-UHFFFAOYSA-N 0 0 395.225 4.029 40 0 in-vitro GIABRN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3F)n2C)c(C)c1 ZINC000007235942 570757246 /nfs/dbraw/zinc/75/72/46/570757246.db2.gz VLUDNIXCAYDSMH-UHFFFAOYSA-N 0 0 384.480 4.277 40 0 GIABRN COc1cc(OC)cc(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 ZINC000013632652 570764530 /nfs/dbraw/zinc/76/45/30/570764530.db2.gz FGBFVHYPBGJIJG-UHFFFAOYSA-N 0 0 395.430 4.352 40 0 GIABRN Cc1cccc(C)c1OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000008024291 570765359 /nfs/dbraw/zinc/76/53/59/570765359.db2.gz DKVJYTMQXRHVSL-UHFFFAOYSA-N 0 0 392.421 4.050 40 0 GIABRN COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc2c1OCO2 ZINC000008111440 570766813 /nfs/dbraw/zinc/76/68/13/570766813.db2.gz CDTXEZVYQBYSBG-OVCLIPMQSA-N 0 0 389.816 4.318 40 0 GIABRN CCOc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000008286009 570767003 /nfs/dbraw/zinc/76/70/03/570767003.db2.gz CAWMRYBAXMWZHK-UHFFFAOYSA-N 0 0 396.468 4.138 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccccc2OC)cc1 ZINC000008499960 570769377 /nfs/dbraw/zinc/76/93/77/570769377.db2.gz FIFIFTNRAXZRGX-SFHVURJKSA-N 0 0 385.460 4.448 40 0 GIABRN CN(C)c1ccc(-c2cc(=O)c3cc(I)ccc3o2)cc1 ZINC000013675691 570771683 /nfs/dbraw/zinc/77/16/83/570771683.db2.gz MVKVWWKDDYBNOJ-UHFFFAOYSA-N 0 0 391.208 4.131 40 0 in-vivo GIABRN CC(C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000013685231 570774274 /nfs/dbraw/zinc/77/42/74/570774274.db2.gz GDNGMJMDUUZDSS-INIZCTEOSA-N 0 0 376.456 4.384 40 0 GIABRN O=S(=O)(Cc1ccc(Cl)cc1)NCCSCc1ccccc1Cl ZINC000009694917 570776716 /nfs/dbraw/zinc/77/67/16/570776716.db2.gz YDPSTSQOAXMOJR-UHFFFAOYSA-N 0 0 390.357 4.346 40 0 GIABRN CC[C@H](C(=O)Nc1cccc(Cl)c1C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713348 570778259 /nfs/dbraw/zinc/77/82/59/570778259.db2.gz QUXVSLAWTYGLER-GOSISDBHSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@@H](C(=O)Nc1cccc(Cl)c1C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713351 570778379 /nfs/dbraw/zinc/77/83/79/570778379.db2.gz QUXVSLAWTYGLER-SFHVURJKSA-N 0 0 394.924 4.140 40 0 GIABRN CCc1ccccc1NC(=O)[C@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716112 570779237 /nfs/dbraw/zinc/77/92/37/570779237.db2.gz IQTRHJIJUFNYCR-FQEVSTJZSA-N 0 0 388.533 4.049 40 0 GIABRN O=C(CSCc1ccccc1Br)NCCCc1ccccc1 ZINC000010110163 570781512 /nfs/dbraw/zinc/78/15/12/570781512.db2.gz FFSYIUIAEZWVTE-UHFFFAOYSA-N 0 0 378.335 4.431 40 0 GIABRN CC(=O)Nc1cccc(NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)c1 ZINC000170583802 570788322 /nfs/dbraw/zinc/78/83/22/570788322.db2.gz ZXBUHVGLHIIOMR-UHFFFAOYSA-N 0 0 375.432 4.048 40 0 GIABRN CCOc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2Cl)cc1OCC ZINC000010543998 570792007 /nfs/dbraw/zinc/79/20/07/570792007.db2.gz XPNIGGAPIHYRRX-CQSZACIVSA-N 0 0 397.924 4.318 40 0 GIABRN CC(C)Oc1cccc(CCCNS(=O)(=O)Cc2ccccc2Cl)c1 ZINC000010543288 570792105 /nfs/dbraw/zinc/79/21/05/570792105.db2.gz UKKLUCPPCSJDNE-UHFFFAOYSA-N 0 0 381.925 4.179 40 0 GIABRN Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000014002902 570814076 /nfs/dbraw/zinc/81/40/76/570814076.db2.gz ZOXQXVIZXQUHTA-GOSISDBHSA-N 0 0 380.488 4.417 40 0 GIABRN CC(C)c1ccc(NC(=O)CCn2cnc3c4cc(F)ccc4[nH]c3c2=O)cc1 ZINC000014001251 570874830 /nfs/dbraw/zinc/87/48/30/570874830.db2.gz DGVKDFXOPQVHCH-UHFFFAOYSA-N 0 0 392.434 4.169 40 0 GIABRN O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)Nc1ccccc1Cl ZINC000208281610 570892309 /nfs/dbraw/zinc/89/23/09/570892309.db2.gz ZPCDZZBNCIEIML-MDWZMJQESA-N 0 0 378.862 4.077 40 0 GIABRN CCCCCCc1c(C)nc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]c1=O ZINC000014608482 570894112 /nfs/dbraw/zinc/89/41/12/570894112.db2.gz RYFLPCDBRCMRAL-UHFFFAOYSA-N 0 0 388.943 4.181 40 0 GIABRN O=C(NC[C@H]1CC[C@H](c2ncncc2-c2ccncc2)CC1)c1ccccc1F ZINC000257277229 570900580 /nfs/dbraw/zinc/90/05/80/570900580.db2.gz NWYUOMJKCJLYSU-SAABIXHNSA-N 0 0 390.462 4.382 40 0 GIABRN O=C(Cn1nc(C2CCCCC2)n(-n2cccc2)c1=S)Nc1ccccc1 ZINC000016777953 570910201 /nfs/dbraw/zinc/91/02/01/570910201.db2.gz YGGZSLSEYYYSGN-UHFFFAOYSA-N 0 0 381.505 4.213 40 0 GIABRN O=C(COc1ccc2ccccc2c1)Nc1ccccc1C(=O)N1CCCCC1 ZINC000016014469 570911158 /nfs/dbraw/zinc/91/11/58/570911158.db2.gz MAFPZLISNFNSRW-UHFFFAOYSA-N 0 0 388.467 4.483 40 0 GIABRN CCCc1nn(CC(=O)Nc2ccc(C)c(Cl)c2)c(=S)n1-n1cccc1 ZINC000016807053 570911251 /nfs/dbraw/zinc/91/12/51/570911251.db2.gz PFSFNOGAHFTHBM-UHFFFAOYSA-N 0 0 389.912 4.080 40 0 GIABRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(C)c1 ZINC000016071144 570913248 /nfs/dbraw/zinc/91/32/48/570913248.db2.gz SRBADLUPWPRJEA-UHFFFAOYSA-N 0 0 386.517 4.120 40 0 GIABRN COc1cc(Br)cc2cc(C(=O)NC3CCCCCC3)c(=O)oc21 ZINC000004539614 570913431 /nfs/dbraw/zinc/91/34/31/570913431.db2.gz NJRKNDBIIRSOCJ-UHFFFAOYSA-N 0 0 394.265 4.017 40 0 GIABRN CCc1ccccc1NC(=O)CN(CC)S(=O)(=O)c1ccc2ccccc2c1 ZINC000016162468 570915808 /nfs/dbraw/zinc/91/58/08/570915808.db2.gz KMNRUQGGKIGEJE-UHFFFAOYSA-N 0 0 396.512 4.052 40 0 GIABRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cc2ccccc2o1 ZINC000017078059 570917310 /nfs/dbraw/zinc/91/73/10/570917310.db2.gz YJAITENPYTVAIR-UHFFFAOYSA-N 0 0 382.375 4.486 40 0 GIABRN Cc1ccc(C(=O)N2CCC[C@@]3(CCCN3c3ncc4ccccc4n3)CC2)o1 ZINC000585100436 570924734 /nfs/dbraw/zinc/92/47/34/570924734.db2.gz KNPCVQUOGZLFMT-HSZRJFAPSA-N 0 0 390.487 4.197 40 0 GIABRN CC(C)(C)c1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2N)cc1 ZINC000016755839 570933026 /nfs/dbraw/zinc/93/30/26/570933026.db2.gz ZIMODYLXJGABRZ-UHFFFAOYSA-N 0 0 378.505 4.125 40 0 GIABRN CCCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1cccs1)C2 ZINC000585107110 570934617 /nfs/dbraw/zinc/93/46/17/570934617.db2.gz PMPLNUGLDKNYFZ-JOCHJYFZSA-N 0 0 392.528 4.295 40 0 GIABRN CCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1cc(C)c(C)o1)C2 ZINC000585107508 570935436 /nfs/dbraw/zinc/93/54/36/570935436.db2.gz YMAHJROLILUPJZ-QHCPKHFHSA-N 0 0 390.487 4.054 40 0 GIABRN COc1ccc(CNC(=O)c2ccccc2OCc2ccccc2)cc1OC ZINC000017298753 570944439 /nfs/dbraw/zinc/94/44/39/570944439.db2.gz OHSYMWOZSCTOMQ-UHFFFAOYSA-N 0 0 377.440 4.213 40 0 GIABRN COC(=O)C1[C@@H](c2ccccc2)C(C(=O)OCc2ccco2)[C@H]1c1ccccc1 ZINC000018099985 570950567 /nfs/dbraw/zinc/95/05/67/570950567.db2.gz ITOVSSYSAXUENV-FDRBHKFBSA-N 0 0 390.435 4.309 40 0 GIABRN CC(=O)N1CCC[C@H](c2cc(Oc3cccc(F)c3)nc(-c3ccncc3)n2)C1 ZINC000019017019 570954138 /nfs/dbraw/zinc/95/41/38/570954138.db2.gz YJSKPOZYRSVAMC-KRWDZBQOSA-N 0 0 392.434 4.196 40 0 GIABRN CC(C)(C)C(=O)N1CCC[C@@](Cc2ccc(-c3ccccc3)cc2)(C(N)=O)C1 ZINC000019081130 570956129 /nfs/dbraw/zinc/95/61/29/570956129.db2.gz UGZODCNXKGKKNR-DEOSSOPVSA-N 0 0 378.516 4.036 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@@H]2CCCCN2C(=O)Cc2cccc(F)c2)on1 ZINC000019121861 570957393 /nfs/dbraw/zinc/95/73/93/570957393.db2.gz WSAOMDLOHBNUQN-IBGZPJMESA-N 0 0 394.450 4.184 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@H]2CCCN2C(=O)Cc2cccc(Cl)c2)on1 ZINC000019122393 570957429 /nfs/dbraw/zinc/95/74/29/570957429.db2.gz FWCPEGFJVDGAHI-GOSISDBHSA-N 0 0 396.878 4.308 40 0 GIABRN Cc1ccc(-n2[n-]c(-c3cnn4c3nc(C3CC3)cc4C(F)F)cc2=O)c(C)c1 ZINC000019132931 570958483 /nfs/dbraw/zinc/95/84/83/570958483.db2.gz QYOBIAZWNBCQBM-UHFFFAOYSA-N 0 0 395.413 4.307 40 0 GIABRN O=C(C[C@H](NCc1ccccn1)c1ccccc1)c1cc2ccccc2oc1=O ZINC000019203795 570960062 /nfs/dbraw/zinc/96/00/62/570960062.db2.gz AZTWHFOLVJLUQS-NRFANRHFSA-N 0 0 384.435 4.292 40 0 GIABRN Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2)cc(N(C)C)n1 ZINC000019240900 570969232 /nfs/dbraw/zinc/96/92/32/570969232.db2.gz WCKOZSCGIKJVRJ-NRFANRHFSA-N 0 0 399.498 4.046 40 0 GIABRN Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3ccccc3F)C2)n1 ZINC000019286850 570970122 /nfs/dbraw/zinc/97/01/22/570970122.db2.gz UPQPGYGREFISJH-KRWDZBQOSA-N 0 0 376.435 4.006 40 0 GIABRN Cc1nc2ccccc2n1C[C@@H](C)C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000019286726 570970161 /nfs/dbraw/zinc/97/01/61/570970161.db2.gz KUDGKZGCUXQTDI-KGLIPLIRSA-N 0 0 378.501 4.468 40 0 GIABRN Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)c3ccc(F)cc3F)C2)n1 ZINC000019286833 570970165 /nfs/dbraw/zinc/97/01/65/570970165.db2.gz XWYWLWSLTDDYOC-MRXNPFEDSA-N 0 0 394.425 4.145 40 0 GIABRN Cn1nc2c(c1C(=O)N1CCc3sccc3[C@@H]1c1cccs1)CCCC2 ZINC000019288648 570970633 /nfs/dbraw/zinc/97/06/33/570970633.db2.gz HQDCIEXWIVYBBF-GOSISDBHSA-N 0 0 383.542 4.210 40 0 GIABRN O=C(NCCn1cc(-c2ccncc2)c(-c2cccs2)n1)C1CCCCC1 ZINC000019343918 570976929 /nfs/dbraw/zinc/97/69/29/570976929.db2.gz JACCLRUCBRZORE-UHFFFAOYSA-N 0 0 380.517 4.370 40 0 GIABRN O=C(C1CC1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 ZINC000019373160 570981093 /nfs/dbraw/zinc/98/10/93/570981093.db2.gz JPLBNHUIWWRCJK-FQEVSTJZSA-N 0 0 385.471 4.356 40 0 GIABRN O=C(NC1CCC2(CC1)CC(=O)c1ccccc1O2)c1cccc2ncccc21 ZINC000019374556 570981629 /nfs/dbraw/zinc/98/16/29/570981629.db2.gz FQFHVKCBTUEJHD-UHFFFAOYSA-N 0 0 386.451 4.311 40 0 GIABRN O=C(N[C@H](c1ccncc1)c1ccc(Cl)cc1)[C@H]1OCOc2ccccc21 ZINC000019375075 570982066 /nfs/dbraw/zinc/98/20/66/570982066.db2.gz ZGLSAJXKYHFSKI-PMACEKPBSA-N 0 0 380.831 4.048 40 0 GIABRN CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)CC(C)C)C1 ZINC000019446212 570983907 /nfs/dbraw/zinc/98/39/07/570983907.db2.gz VYMPMKNKNQZKFK-XMMPIXPASA-N 0 0 396.506 4.046 40 0 GIABRN CC(C)c1nc2ccc(NC(=O)c3ccc(Cn4cncn4)cc3)cc2s1 ZINC000019453853 570986744 /nfs/dbraw/zinc/98/67/44/570986744.db2.gz NTJOMWFBUSJHEX-UHFFFAOYSA-N 0 0 377.473 4.312 40 0 GIABRN C[C@H](NC(=O)CCCc1nc(-c2cccnc2)no1)c1ccc2c(c1)CCCC2 ZINC000019458805 570987884 /nfs/dbraw/zinc/98/78/84/570987884.db2.gz LVPWZKWVEMHFBV-INIZCTEOSA-N 0 0 390.487 4.211 40 0 GIABRN CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000244058142 570988932 /nfs/dbraw/zinc/98/89/32/570988932.db2.gz TXDQXFQQSWJKBA-GFCCVEGCSA-N 0 0 393.270 4.384 40 0 GIABRN C[C@H]1CCCC[C@H]1NC(=O)Cn1cc(C(=O)c2ccc(F)cc2)c2ccncc21 ZINC000019496244 570989368 /nfs/dbraw/zinc/98/93/68/570989368.db2.gz WMMTXJZYFANOSN-MGPUTAFESA-N 0 0 393.462 4.101 40 0 GIABRN CCC(=O)N1CC[C@](Cc2ccc(-c3ccccc3)cc2)(C(=O)NC(C)C)C1 ZINC000019498405 570990772 /nfs/dbraw/zinc/99/07/72/570990772.db2.gz OEXWXCIELMWOAJ-XMMPIXPASA-N 0 0 378.516 4.049 40 0 GIABRN CCC(=O)N1CC[C@](Cc2ccccc2-c2cccs2)(C(=O)NCC(C)C)C1 ZINC000019498485 570990845 /nfs/dbraw/zinc/99/08/45/570990845.db2.gz BNJQKABCVBJZLK-HSZRJFAPSA-N 0 0 398.572 4.359 40 0 GIABRN COCCCN(Cc1ccc2c(c1)C[C@@H](C)O2)C(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000019498162 570990898 /nfs/dbraw/zinc/99/08/98/570990898.db2.gz SWECQDXMSSQVGG-SJORKVTESA-N 0 0 395.499 4.012 40 0 GIABRN CCC(=O)N1CC[C@](Cc2cccc(-c3ccc(C)cc3)c2)(C(=O)NC(C)C)C1 ZINC000019498431 570990945 /nfs/dbraw/zinc/99/09/45/570990945.db2.gz JBORSHNJXXNICL-RUZDIDTESA-N 0 0 392.543 4.358 40 0 GIABRN CCC(=O)N1CCC[C@@](Cc2ccc(-c3ccccc3F)cc2)(C(=O)N(C)C)C1 ZINC000019498599 570991154 /nfs/dbraw/zinc/99/11/54/570991154.db2.gz ICPNONABBDXJDD-DEOSSOPVSA-N 0 0 396.506 4.142 40 0 GIABRN CCC(=O)N1CCC[C@](Cc2cccc(-c3cccs3)c2)(C(=O)NC2CC2)C1 ZINC000019498644 570991234 /nfs/dbraw/zinc/99/12/34/570991234.db2.gz OYDNYUBNDJZMFC-HSZRJFAPSA-N 0 0 396.556 4.255 40 0 GIABRN COc1cc(C=O)ccc1OCc1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000089262986 570991904 /nfs/dbraw/zinc/99/19/04/570991904.db2.gz MKUGOZRMAAXOBW-UHFFFAOYSA-N 0 0 379.199 4.444 40 0 GIABRN CCCC(=O)N1CCC[C@@](Cc2ccc(-c3ccc(C)cc3)cc2)(C(N)=O)C1 ZINC000019501182 570992520 /nfs/dbraw/zinc/99/25/20/570992520.db2.gz BRTBMLDVARFHKU-DEOSSOPVSA-N 0 0 378.516 4.099 40 0 GIABRN CCCC(=O)N1CCC[C@](Cc2ccccc2-c2cccs2)(C(=O)NC)C1 ZINC000019501247 570993094 /nfs/dbraw/zinc/99/30/94/570993094.db2.gz OOCYDKIIEBAKLN-JOCHJYFZSA-N 0 0 384.545 4.113 40 0 GIABRN CCc1c2cc(F)ccc2[nH]c1C(=O)N1CCC(O)(c2ccc(C)cc2)CC1 ZINC000019521918 570994986 /nfs/dbraw/zinc/99/49/86/570994986.db2.gz HDGZDSATRHNLMA-UHFFFAOYSA-N 0 0 380.463 4.302 40 0 GIABRN Cc1nc2ccc(Cl)cn2c1C(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000019554903 571002973 /nfs/dbraw/zinc/00/29/73/571002973.db2.gz ZHMQHHJIEDSCJY-UHFFFAOYSA-N 0 0 387.842 4.119 40 0 GIABRN Cc1nn(C[C@@H](C)C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c(C)c1C ZINC000019556898 571004047 /nfs/dbraw/zinc/00/40/47/571004047.db2.gz JXTGEXMWNFQFGE-QRQCRPRQSA-N 0 0 399.535 4.119 40 0 GIABRN Cc1noc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)Cc2ccccc2F)c1C ZINC000019558177 571004410 /nfs/dbraw/zinc/00/44/10/571004410.db2.gz WRRNBESFUXQTFG-IBGZPJMESA-N 0 0 396.466 4.127 40 0 GIABRN Cc1cc(C(F)(F)F)c2c(n1)onc2C1CCN(C(=O)C2CCCC2)CC1 ZINC000019568992 571009364 /nfs/dbraw/zinc/00/93/64/571009364.db2.gz OEMXAODEDPLZND-UHFFFAOYSA-N 0 0 381.398 4.446 40 0 GIABRN CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1csc(C)c1 ZINC000019571891 571010149 /nfs/dbraw/zinc/01/01/49/571010149.db2.gz PGQKJUICCUJSLY-YPAWHYETSA-N 0 0 396.556 4.456 40 0 GIABRN Cc1[nH]c2c(cccc2C(=O)N[C@@H](c2nccn2C)c2ccc(F)cc2)c1C ZINC000019576934 571011717 /nfs/dbraw/zinc/01/17/17/571011717.db2.gz SGKDSHMICQDJBW-LJQANCHMSA-N 0 0 376.435 4.177 40 0 GIABRN CN(C)C(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)C2CC2)C1 ZINC000019578719 571012485 /nfs/dbraw/zinc/01/24/85/571012485.db2.gz SRITWDNIHRKAME-VWLOTQADSA-N 0 0 390.527 4.003 40 0 GIABRN CN(C)C(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)C2CCC2)C1 ZINC000019579731 571012677 /nfs/dbraw/zinc/01/26/77/571012677.db2.gz YNUKWVNNCMYFRG-QHCPKHFHSA-N 0 0 396.556 4.065 40 0 GIABRN COc1cc(NC(=O)[C@H](C)Oc2ccc(F)cc2)ccc1-n1nc(C)cc1C ZINC000019655153 571023345 /nfs/dbraw/zinc/02/33/45/571023345.db2.gz AXNTWURYRCBQAI-HNNXBMFYSA-N 0 0 383.423 4.043 40 0 GIABRN CC[C@H](NC(=O)c1ccc(-n2nc(C)cc2C)cc1)c1c(C)nn(CC)c1C ZINC000019656093 571023411 /nfs/dbraw/zinc/02/34/11/571023411.db2.gz IWXGWZSHBQCEIY-FQEVSTJZSA-N 0 0 379.508 4.203 40 0 GIABRN Cc1cc(C)n([C@H](C)C(=O)N2CCC(COc3ccc(Cl)cc3)CC2)n1 ZINC000019660614 571025462 /nfs/dbraw/zinc/02/54/62/571025462.db2.gz YMCIJVYNUXABKO-MRXNPFEDSA-N 0 0 375.900 4.032 40 0 GIABRN Cc1cccc(-c2nnc(NC(=O)c3ccc4c(c3)ncn4C3CC3)s2)c1 ZINC000019714275 571036063 /nfs/dbraw/zinc/03/60/63/571036063.db2.gz SAULXBIZNXSZKY-UHFFFAOYSA-N 0 0 375.457 4.450 40 0 GIABRN CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)c2C1 ZINC000019715630 571037206 /nfs/dbraw/zinc/03/72/06/571037206.db2.gz WPIIBHSHRYMOHR-OAHLLOKOSA-N 0 0 396.466 4.462 40 0 GIABRN Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000019717693 571040765 /nfs/dbraw/zinc/04/07/65/571040765.db2.gz FNUGEJVMHJOOEI-OAHLLOKOSA-N 0 0 378.472 4.284 40 0 GIABRN CC(C)(C(=O)NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(F)cc1 ZINC000019718407 571041207 /nfs/dbraw/zinc/04/12/07/571041207.db2.gz OIHMWBMCARXPMW-UHFFFAOYSA-N 0 0 377.843 4.234 40 0 GIABRN FC(F)(F)c1cccc(-c2nc(Cl)cc(NCCc3ccncc3)n2)c1 ZINC000328968455 571047934 /nfs/dbraw/zinc/04/79/34/571047934.db2.gz CZPVRSILQDDIBV-UHFFFAOYSA-N 0 0 378.785 4.287 40 0 GIABRN O=C(Nc1cccnc1)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1 ZINC000096037771 571096777 /nfs/dbraw/zinc/09/67/77/571096777.db2.gz PSOWRJKRZXQWGS-UHFFFAOYSA-N 0 0 396.454 4.064 40 0 GIABRN CCCCN(CC)C(=O)c1ccn(-c2ccc3ccc(-c4ccncc4)cn32)n1 ZINC000096038096 571096793 /nfs/dbraw/zinc/09/67/93/571096793.db2.gz BGFJDAMFEWSCPZ-UHFFFAOYSA-N 0 0 387.487 4.449 40 0 GIABRN O=C(c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1)N1CCCCO1 ZINC000096037754 571096973 /nfs/dbraw/zinc/09/69/73/571096973.db2.gz PVYJVCODJYOYKE-UHFFFAOYSA-N 0 0 388.471 4.190 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC000057115524 823250215 /nfs/dbraw/zinc/25/02/15/823250215.db2.gz HAZPTXOWRUGJRZ-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@H](c2cccs2)O1 ZINC000000710007 817372885 /nfs/dbraw/zinc/37/28/85/817372885.db2.gz QKOUIVDGEKTHKD-RXVVDRJESA-N 0 0 381.453 4.299 40 0 GIABRN CCOc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OC(C)=O ZINC000003657402 817494209 /nfs/dbraw/zinc/49/42/09/817494209.db2.gz MXFBTMQVVPPOSZ-YBEGLDIGSA-N 0 0 385.803 4.009 40 0 GIABRN O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)Nc1cccnc1 ZINC000005741173 817613953 /nfs/dbraw/zinc/61/39/53/817613953.db2.gz CHAYZJHJMGPLEB-UHFFFAOYSA-N 0 0 390.390 4.288 40 0 GIABRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)Cn1ccc2ccccc21 ZINC000006026555 817641332 /nfs/dbraw/zinc/64/13/32/817641332.db2.gz PALPVDRWBWBBED-UHFFFAOYSA-N 0 0 384.457 4.029 40 0 GIABRN COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(Cc2cccc(C)c2)C1=O ZINC000006478705 817697326 /nfs/dbraw/zinc/69/73/26/817697326.db2.gz IPXFPFFJUITNOA-VXLYETTFSA-N 0 0 399.468 4.257 40 0 GIABRN CCCNC(=O)c1ccccc1NC(=O)CSCc1ccccc1Cl ZINC000006879996 817721116 /nfs/dbraw/zinc/72/11/16/817721116.db2.gz YNLJMGHCXUKIHR-UHFFFAOYSA-N 0 0 376.909 4.352 40 0 GIABRN CN(C)c1ccc(/C=C/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 ZINC000006948692 817728559 /nfs/dbraw/zinc/72/85/59/817728559.db2.gz JOHGDVDXHMMRMM-UVZAAPLCSA-N 0 0 389.480 4.417 40 0 GIABRN CCOc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1OC ZINC000006960348 817728935 /nfs/dbraw/zinc/72/89/35/817728935.db2.gz ROTICPAGLWOZCQ-XMHGGMMESA-N 0 0 383.469 4.373 40 0 GIABRN CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)ccc1O ZINC000006954397 817729012 /nfs/dbraw/zinc/72/90/12/817729012.db2.gz YMTIWJXOHHREDZ-HNPUNDFXSA-N 0 0 398.484 4.423 40 0 GIABRN Cc1cccc(N2CCN(C(=O)COc3ccccc3C(C)(C)C)CC2)c1C ZINC000007382461 817828274 /nfs/dbraw/zinc/82/82/74/817828274.db2.gz TXCMSUUCTACDKS-UHFFFAOYSA-N 0 0 380.532 4.329 40 0 GIABRN Cc1cccc(C)c1N1C[C@@H](C(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)CC1=O ZINC000007881630 817949570 /nfs/dbraw/zinc/94/95/70/817949570.db2.gz QVHHPVKKUPYRMZ-RDJZCZTQSA-N 0 0 399.874 4.124 40 0 GIABRN Cc1cccc(C)c1N1C[C@@H](C(=O)Oc2ccc(Br)cc2)CC1=O ZINC000007929436 817962828 /nfs/dbraw/zinc/96/28/28/817962828.db2.gz UXQWSNZCZQVWAT-AWEZNQCLSA-N 0 0 388.261 4.024 40 0 GIABRN CCc1ccccc1N(CC(=O)Nc1c(C)cccc1C(C)C)S(C)(=O)=O ZINC000008088043 817997791 /nfs/dbraw/zinc/99/77/91/817997791.db2.gz FCIIOFUVWXQILY-UHFFFAOYSA-N 0 0 388.533 4.086 40 0 GIABRN COc1cccc(C[C@H]2SC(=O)N(c3ccccc3Cl)C2=O)c1OC ZINC000008168950 818011058 /nfs/dbraw/zinc/01/10/58/818011058.db2.gz WLUGVJSCRRJTKN-OAHLLOKOSA-N 0 0 377.849 4.168 40 0 GIABRN COc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000014609717 818254221 /nfs/dbraw/zinc/25/42/21/818254221.db2.gz DQBQSNNLQGTBOZ-UHFFFAOYSA-N 0 0 388.402 4.334 40 0 GIABRN O=C(Nc1ccccc1F)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000014609719 818254364 /nfs/dbraw/zinc/25/43/64/818254364.db2.gz WLAOCGKIXKZESX-UHFFFAOYSA-N 0 0 376.366 4.465 40 0 GIABRN CCOc1cc(C(=O)Nc2ccccc2OC)cc(Br)c1OC ZINC000016030312 818386634 /nfs/dbraw/zinc/38/66/34/818386634.db2.gz UTUAYPILCNGSKZ-UHFFFAOYSA-N 0 0 380.238 4.117 40 0 GIABRN Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@H](ON(c3ccccc3)[C@H]2CC(C)C)C1=O ZINC000018157421 818551466 /nfs/dbraw/zinc/55/14/66/818551466.db2.gz JUUJKPHJIMKYQY-ZCNNSNEGSA-N 0 0 398.890 4.373 40 0 GIABRN CCc1nnsc1C(=O)N1CCC[C@@H]1c1cc(-c2ccccc2)cc(C)n1 ZINC000019690572 818598855 /nfs/dbraw/zinc/59/88/55/818598855.db2.gz PKJHXUZFUNVSCD-LJQANCHMSA-N 0 0 378.501 4.448 40 0 GIABRN CCN(C(=O)c1cc2ccc(F)cc2[nH]1)[C@H]1CN(C(C)=O)C2(C1)CCCCC2 ZINC000019704192 818600755 /nfs/dbraw/zinc/60/07/55/818600755.db2.gz AUAVXKZICHMAEU-GOSISDBHSA-N 0 0 385.483 4.093 40 0 GIABRN CC(C)(Br)C(=O)Nc1nc2ccc(Br)cc2s1 ZINC000020133166 818614556 /nfs/dbraw/zinc/61/45/56/818614556.db2.gz QLIROMGYUHVQJW-UHFFFAOYSA-N 0 0 378.089 4.171 40 0 GIABRN Nc1c(Br)cc2oc(-c3ccc(O)cc3)nc2c1Br ZINC000020136142 818615238 /nfs/dbraw/zinc/61/52/38/818615238.db2.gz ONBWSPASKFNRTQ-UHFFFAOYSA-N 0 0 384.027 4.308 40 0 GIABRN Cc1cc(C)c2c(n1)sc1c2ncnc1OCc1nc(-c2ccccc2)no1 ZINC000028616806 820345159 /nfs/dbraw/zinc/34/51/59/820345159.db2.gz AQAFKVURRNYXKZ-UHFFFAOYSA-N 0 0 389.440 4.485 40 0 GIABRN CCOC(=O)C1=C(C)NC(SCC)=N[C@H]1c1cccc(Br)c1 ZINC000033661093 821058660 /nfs/dbraw/zinc/05/86/60/821058660.db2.gz YJBYJJYCUMDIOD-AWEZNQCLSA-N 0 0 383.311 4.040 40 0 GIABRN Cc1ccc(CSc2nnc([C@@H](C)NC(=O)c3ccccc3C)n2C)cc1 ZINC000033735091 821059658 /nfs/dbraw/zinc/05/96/58/821059658.db2.gz GSQKWDHSLUMPBW-MRXNPFEDSA-N 0 0 380.517 4.215 40 0 GIABRN Cc1ccc(COc2cccc(/C=c3\sc4nc5ccccc5n4c3=O)c2)cc1 ZINC000040007170 821125573 /nfs/dbraw/zinc/12/55/73/821125573.db2.gz WFKZJXPEVACZRV-HMAPJEAMSA-N 0 0 398.487 4.344 40 0 GIABRN Cc1ccc(F)cc1NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000042646241 821319465 /nfs/dbraw/zinc/31/94/65/821319465.db2.gz ZHFMQNSZEGQTPG-UHFFFAOYSA-N 0 0 376.431 4.021 40 0 GIABRN Cc1ccc(OCc2ccc(C(=O)NCC(=O)Nc3ccc(Cl)cc3)o2)cc1 ZINC000047080974 822543146 /nfs/dbraw/zinc/54/31/46/822543146.db2.gz XFZBJWUROFWPFK-UHFFFAOYSA-N 0 0 398.846 4.189 40 0 GIABRN O=C(/C=C/c1ccccc1Cl)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000061240576 823586663 /nfs/dbraw/zinc/58/66/63/823586663.db2.gz IESQNHYLNFYINS-VAWYXSNFSA-N 0 0 391.858 4.317 40 0 GIABRN COC(=O)Cc1csc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)n1 ZINC000062714372 823645066 /nfs/dbraw/zinc/64/50/66/823645066.db2.gz JHKVBIZQKGXSRH-LDADJPATSA-N 0 0 378.453 4.038 40 0 GIABRN Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3C)n2C)c(C)c1 ZINC000005681718 230842572 /nfs/dbraw/zinc/84/25/72/230842572.db2.gz PTLOGCBDGOESTQ-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3c(C)cccc3C)o2)c1 ZINC000005294540 230840547 /nfs/dbraw/zinc/84/05/47/230840547.db2.gz HCWQIKCAHTYCQY-UHFFFAOYSA-N 0 0 383.473 4.305 40 0 GIABRN Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000007399641 230856131 /nfs/dbraw/zinc/85/61/31/230856131.db2.gz UNOSPLOUICFREN-CQSZACIVSA-N 0 0 376.378 4.314 40 0 GIABRN CCn1nnnc1NCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000008339969 230862824 /nfs/dbraw/zinc/86/28/24/230862824.db2.gz RHWCCGPVRSQFPQ-UHFFFAOYSA-N 0 0 378.263 4.191 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 ZINC000222845652 222615691 /nfs/dbraw/zinc/61/56/91/222615691.db2.gz UOIVNQVCICJKKV-NSHDSACASA-N 0 0 382.243 4.494 40 0 GIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1OC ZINC000222865380 222616556 /nfs/dbraw/zinc/61/65/56/222616556.db2.gz PSLDNXMBAVLQRG-SFTDATJTSA-N 0 0 392.528 4.263 40 0 GIABRN Cc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000113936150 231023683 /nfs/dbraw/zinc/02/36/83/231023683.db2.gz PQEGQGSGPSNRAC-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN Cc1cc(C)nc(SCC(=O)N2c3ccccc3S[C@@H]3C=CC=C[C@H]32)n1 ZINC000408544037 231056489 /nfs/dbraw/zinc/05/64/89/231056489.db2.gz RLIBZQZECHVSDW-NVXWUHKLSA-N 0 0 381.526 4.188 40 0 GIABRN Cc1c(Nc2cc(C3CC3)nc(N[C@H](CO)C(C)C)n2)cccc1C(F)(F)F ZINC000329022677 231047319 /nfs/dbraw/zinc/04/73/19/231047319.db2.gz OPGAPVHKRLIPDA-QGZVFWFLSA-N 0 0 394.441 4.276 40 0 GIABRN O=C(NC(=S)Nc1ccccc1O)c1ccc(OCc2ccccc2)cc1 ZINC000408619088 231082264 /nfs/dbraw/zinc/08/22/64/231082264.db2.gz FZJHTWZTOHBMRG-UHFFFAOYSA-N 0 0 378.453 4.098 40 0 GIABRN Cc1ccc(SCCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000408562897 231062930 /nfs/dbraw/zinc/06/29/30/231062930.db2.gz GKNBWXVALNSSBW-VMPITWQZSA-N 0 0 380.557 4.335 40 0 GIABRN Cc1ccc(C(=O)N2N=C3CCCCC[C@@H]3[C@H]2[C@@H](O)C(F)(F)F)c(Cl)c1 ZINC000408562790 231063534 /nfs/dbraw/zinc/06/35/34/231063534.db2.gz CFVGYSKRUDBMNY-VBNZEHGJSA-N 0 0 388.817 4.332 40 0 GIABRN C[C@H](SCc1ccccc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408565574 231063946 /nfs/dbraw/zinc/06/39/46/231063946.db2.gz LLRFCOAAHOFQLL-BNCSFYMNSA-N 0 0 380.557 4.166 40 0 GIABRN COc1cccc(C(=S)NC[C@H]2CCCO2)c1OCc1ccccc1Cl ZINC000408572248 231065904 /nfs/dbraw/zinc/06/59/04/231065904.db2.gz FVLODNHLZHLQMG-OAHLLOKOSA-N 0 0 391.920 4.372 40 0 GIABRN Cc1c(C)c(NC(=S)NC(=O)c2ccccc2F)ccc1Br ZINC000408596735 231072939 /nfs/dbraw/zinc/07/29/39/231072939.db2.gz VHAZUKCSKXUXQA-UHFFFAOYSA-N 0 0 381.270 4.332 40 0 GIABRN Cc1csc2[nH]c(SCC(=O)Nc3ccc(Cl)cc3F)nc(=O)c12 ZINC000408597855 231074275 /nfs/dbraw/zinc/07/42/75/231074275.db2.gz OLVNLYYNMXJIEM-UHFFFAOYSA-N 0 0 383.857 4.229 40 0 GIABRN O=C(Nc1ccc(F)cc1)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 ZINC000408694040 231095336 /nfs/dbraw/zinc/09/53/36/231095336.db2.gz HNTHONPBZBJDJF-UHFFFAOYSA-N 0 0 376.366 4.465 40 0 GIABRN Cc1cccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c1 ZINC000408704332 231099097 /nfs/dbraw/zinc/09/90/97/231099097.db2.gz MEVJMRZEVFHFHM-UHFFFAOYSA-N 0 0 380.469 4.076 40 0 GIABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1F ZINC000408707189 231101173 /nfs/dbraw/zinc/10/11/73/231101173.db2.gz HYCZDKTVFBQWTG-GFCCVEGCSA-N 0 0 380.341 4.145 40 0 GIABRN Cc1cccc(OCC(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1 ZINC000408713972 231103704 /nfs/dbraw/zinc/10/37/04/231103704.db2.gz FBFLSNBYXQSZGE-UHFFFAOYSA-N 0 0 393.487 4.380 40 0 GIABRN O=S(=O)(c1ccc2nsnc2c1)N(C1CCCCC1)C1CCCCC1 ZINC000408721929 231105644 /nfs/dbraw/zinc/10/56/44/231105644.db2.gz NAMFMPHMQNEHFX-UHFFFAOYSA-N 0 0 379.551 4.347 40 0 GIABRN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc2c(Br)cccc12 ZINC000408621091 231083747 /nfs/dbraw/zinc/08/37/47/231083747.db2.gz JPRVGELSSBRBNL-UHFFFAOYSA-N 0 0 382.217 4.437 40 0 GIABRN Cc1c(Br)ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1C ZINC000408639977 231090449 /nfs/dbraw/zinc/09/04/49/231090449.db2.gz GZWKFRXCHXTLDL-AWEZNQCLSA-N 0 0 387.277 4.058 40 0 GIABRN Cc1ccc2nc(NC(=O)[C@H]3CCCN3C(=O)OCc3ccccc3)sc2c1 ZINC000408736742 231108706 /nfs/dbraw/zinc/10/87/06/231108706.db2.gz GSKKKQBUCRWZNC-QGZVFWFLSA-N 0 0 395.484 4.344 40 0 GIABRN O=C(N[C@H](Cc1ccccc1)C(=O)NC1CCCCCC1)OCc1ccccc1 ZINC000408737045 231108890 /nfs/dbraw/zinc/10/88/90/231108890.db2.gz LFPYZMHKCHCCAX-JOCHJYFZSA-N 0 0 394.515 4.363 40 0 GIABRN O=C(c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)N1CCCCC1 ZINC000408973960 231139125 /nfs/dbraw/zinc/13/91/25/231139125.db2.gz RSSLPUWSZRVNGM-HSZRJFAPSA-N 0 0 394.540 4.129 40 0 GIABRN Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2ccccc2)c2ccccc2)cc1 ZINC000408979808 231141038 /nfs/dbraw/zinc/14/10/38/231141038.db2.gz OPZDTDPCCQNYBN-OAQYLSRUSA-N 0 0 394.496 4.043 40 0 GIABRN COc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1OC ZINC000409134166 231168896 /nfs/dbraw/zinc/16/88/96/231168896.db2.gz MZZRWPHPOXECOX-XMHGGMMESA-N 0 0 383.469 4.373 40 0 GIABRN Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc1 ZINC000409168802 231173666 /nfs/dbraw/zinc/17/36/66/231173666.db2.gz NRDNSEUWVZXWKP-GZTJUZNOSA-N 0 0 380.469 4.287 40 0 GIABRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O ZINC000409159428 231172996 /nfs/dbraw/zinc/17/29/96/231172996.db2.gz UBRXWOQLSLWQPK-MHWRWJLKSA-N 0 0 386.860 4.323 40 0 GIABRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(N4CCCCCC4)o3)C2=O)c1 ZINC000409253165 231187585 /nfs/dbraw/zinc/18/75/85/231187585.db2.gz YXAUSZRETHUEJF-XMHGGMMESA-N 0 0 379.460 4.061 40 0 GIABRN CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000409107200 529580757 /nfs/dbraw/zinc/58/07/57/529580757.db2.gz QYDOYBHYIUDBRV-UHFFFAOYSA-N 0 0 380.517 4.486 40 0 GIABRN CCc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000409099277 529618799 /nfs/dbraw/zinc/61/87/99/529618799.db2.gz KSHROXSMARFNJZ-GOSISDBHSA-N 0 0 396.796 4.404 40 0 GIABRN CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)cc1 ZINC000005448552 529676635 /nfs/dbraw/zinc/67/66/35/529676635.db2.gz QTMQTONEZOPIOM-UHFFFAOYSA-N 0 0 386.908 4.429 40 0 GIABRN CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000103718673 529685075 /nfs/dbraw/zinc/68/50/75/529685075.db2.gz NJJUTZRWADPXKZ-CQSZACIVSA-N 0 0 376.378 4.259 40 0 GIABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(Br)o3)S2)cc1 ZINC000408767837 529690007 /nfs/dbraw/zinc/69/00/07/529690007.db2.gz PQLKQDOXLVUMOB-OVHOFWQVSA-N 0 0 379.279 4.204 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(CC)cc1 ZINC000223585867 222636119 /nfs/dbraw/zinc/63/61/19/222636119.db2.gz IOHPIAQZRTWZSI-IBGZPJMESA-N 0 0 380.532 4.043 40 0 GIABRN O=C(CSCc1ccc(Cl)cc1F)NCCCN1CCc2ccccc21 ZINC000223711964 222640521 /nfs/dbraw/zinc/64/05/21/222640521.db2.gz NDDZGBRMPWNFIB-UHFFFAOYSA-N 0 0 392.927 4.281 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 ZINC000224691972 222660987 /nfs/dbraw/zinc/66/09/87/222660987.db2.gz UAARBIVAJSZHEG-HXUWFJFHSA-N 0 0 396.531 4.098 40 0 GIABRN CCCCOCc1cc(C(=O)NCCc2ccc(OC)cc2)ccc1OCC ZINC000224724706 222661122 /nfs/dbraw/zinc/66/11/22/222661122.db2.gz HIOSASDJHKBQCW-UHFFFAOYSA-N 0 0 385.504 4.383 40 0 GIABRN CCCCOCc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OCC ZINC000224728634 222662573 /nfs/dbraw/zinc/66/25/73/222662573.db2.gz CVMOPKGSQJGTOW-UHFFFAOYSA-N 0 0 385.460 4.426 40 0 GIABRN O=C1CCCN1c1cccc(NC(=S)NCCSCc2ccccc2)c1 ZINC000225291525 222673774 /nfs/dbraw/zinc/67/37/74/222673774.db2.gz RJNRPWXVTFMVPN-UHFFFAOYSA-N 0 0 385.558 4.033 40 0 GIABRN CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C1=O ZINC000409189707 530045717 /nfs/dbraw/zinc/04/57/17/530045717.db2.gz RSIUXXPUVCJPEU-OQLLNIDSSA-N 0 0 377.227 4.095 40 0 GIABRN CNc1nc(Nc2ccccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329041893 203770422 /nfs/dbraw/zinc/77/04/22/203770422.db2.gz SKOSKFSETJHVGZ-UHFFFAOYSA-N 0 0 394.784 4.325 40 0 GIABRN FC(F)(F)c1cc(NCc2ccc(Cl)cc2)nc(NC2CCCCC2)n1 ZINC000329072543 203773821 /nfs/dbraw/zinc/77/38/21/203773821.db2.gz ZZJJYQKAQNAXLY-UHFFFAOYSA-N 0 0 384.833 4.349 40 0 GIABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)n1cc(C(N)=O)c2ccccc21 ZINC000216908490 203787427 /nfs/dbraw/zinc/78/74/27/203787427.db2.gz CALWHAKAKOVWOS-SNVBAGLBSA-N 0 0 377.227 4.155 40 0 GIABRN O=S(=O)(Nc1cccc(OC(F)(F)F)c1)c1cccc(Br)c1 ZINC000024429780 203789428 /nfs/dbraw/zinc/78/94/28/203789428.db2.gz LOBIOFZCODYTGK-UHFFFAOYSA-N 0 0 396.184 4.149 40 0 GIABRN CCc1ccc([C@@]2(O)C=C(C(F)(F)F)NN2C(=O)CCc2ccccc2)cc1 ZINC000000666569 203846947 /nfs/dbraw/zinc/84/69/47/203846947.db2.gz BMTMFCADXODTKK-FQEVSTJZSA-N 0 0 390.405 4.178 40 0 GIABRN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000000866619 203861110 /nfs/dbraw/zinc/86/11/10/203861110.db2.gz KCUOVSVFHCHFRE-ZOVQAKDCSA-N 0 0 393.486 4.295 40 0 GIABRN Cn1c(COc2cccc3cccnc32)nnc1SCc1ccc(F)cc1 ZINC000001480434 203911979 /nfs/dbraw/zinc/91/19/79/203911979.db2.gz SBKHIQDMBNJKAE-UHFFFAOYSA-N 0 0 380.448 4.374 40 0 GIABRN COc1cc2ccnc(-c3nccc4cc(OC)c(OC)cc43)c2cc1OC ZINC000001564235 203913247 /nfs/dbraw/zinc/91/32/47/203913247.db2.gz OTMCPLIPVLDUAF-UHFFFAOYSA-N 0 0 376.412 4.484 40 0 GIABRN Cc1c2c(ccc1Cl)[C@@](O)([C@H](C(=O)c1ccccc1)c1ccccc1)C(=O)N2 ZINC000001624386 203914334 /nfs/dbraw/zinc/91/43/34/203914334.db2.gz WTTVOLUUKVXFHM-WMZHIEFXSA-N 0 0 391.854 4.455 40 0 GIABRN CC(=O)[C@@]1(C)C(=O)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000001705375 203917145 /nfs/dbraw/zinc/91/71/45/203917145.db2.gz RUIBPUSBMMMVCP-SFHVURJKSA-N 0 0 377.227 4.314 40 0 GIABRN O=C(OCc1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000001688917 203918131 /nfs/dbraw/zinc/91/81/31/203918131.db2.gz UNGOKENUTQUJMA-UHFFFAOYSA-N 0 0 381.453 4.214 40 0 GIABRN CCOc1cc(OCC)c(OCC)cc1/C=C1\N=C(c2ccccc2)OC1=O ZINC000001735326 203919306 /nfs/dbraw/zinc/91/93/06/203919306.db2.gz OMXIBTONJJLOBL-ATVHPVEESA-N 0 0 381.428 4.227 40 0 GIABRN C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000004287804 204036739 /nfs/dbraw/zinc/03/67/39/204036739.db2.gz JTDBKCACGGYRPG-XJKCOSOUSA-N 0 0 392.956 4.311 40 0 GIABRN COc1ccccc1NC(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)c2C)C1 ZINC000004354589 204040997 /nfs/dbraw/zinc/04/09/97/204040997.db2.gz LMAQDESVPXCBAL-QGZVFWFLSA-N 0 0 381.476 4.195 40 0 GIABRN O=C(NC1CCCCCCC1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000003566950 204012361 /nfs/dbraw/zinc/01/23/61/204012361.db2.gz IVQKPZDBTPVZRN-UHFFFAOYSA-N 0 0 392.565 4.094 40 0 GIABRN O=C(NC1CCCCCC1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000003569893 204014088 /nfs/dbraw/zinc/01/40/88/204014088.db2.gz LNWGYOJUQYZLKF-UHFFFAOYSA-N 0 0 390.480 4.079 40 0 GIABRN CCc1cc2cc(OC)c(OC)cc2nc1SCC(=O)N1CCCC[C@@H]1C ZINC000004857761 204082843 /nfs/dbraw/zinc/08/28/43/204082843.db2.gz PRPYAZDCDNQJQP-AWEZNQCLSA-N 0 0 388.533 4.308 40 0 GIABRN COC(=O)c1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2ccc(C(C)C)cc2)C(=O)N1 ZINC000004852902 204083083 /nfs/dbraw/zinc/08/30/83/204083083.db2.gz PPVFMBGQBWCNIT-AVRDEDQJSA-N 0 0 380.444 4.366 40 0 GIABRN CCCCNC(=O)CSc1nc(COc2ccccc2)nc2ccccc21 ZINC000004936915 204093875 /nfs/dbraw/zinc/09/38/75/204093875.db2.gz XNICEKAWGIMRDH-UHFFFAOYSA-N 0 0 381.501 4.217 40 0 GIABRN CC(=O)O[C@@H]1CC[C@H]2[C@H]3CC[C@H]4O[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004946285 204096064 /nfs/dbraw/zinc/09/60/64/204096064.db2.gz WNFQIRIRYYIJSG-CIDBBFQTSA-N 0 0 378.509 4.229 40 0 GIABRN COc1ccc(CNC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)cc1 ZINC000005022625 204103541 /nfs/dbraw/zinc/10/35/41/204103541.db2.gz WMHYQJSLGDPFNY-UHFFFAOYSA-N 0 0 395.459 4.380 40 0 GIABRN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000005714058 204148336 /nfs/dbraw/zinc/14/83/36/204148336.db2.gz RGNNHAVGJMFODJ-LJQANCHMSA-N 0 0 380.488 4.292 40 0 GIABRN N=C1SC(=Cc2c[nH]nc2-c2ccc(Cl)cc2)C(=O)N1c1nccs1 ZINC000005728920 204148487 /nfs/dbraw/zinc/14/84/87/204148487.db2.gz YODHGRPSEKFANG-UELMBQOKSA-N 0 0 387.877 4.242 40 0 GIABRN Cc1c2c(ccc1Cl)[C@@](O)(CC(=O)c1ccc(Cl)cc1Cl)C(=O)N2 ZINC000005722483 204148701 /nfs/dbraw/zinc/14/87/01/204148701.db2.gz OHYRTGIXLQIRTN-KRWDZBQOSA-N 0 0 384.646 4.368 40 0 GIABRN C[C@@H]1S[C@@]2(C(=O)Nc3ccc(Cl)cc32)N(c2ccc(Cl)cc2)C1=O ZINC000005760078 204150319 /nfs/dbraw/zinc/15/03/19/204150319.db2.gz LFRJZJZRKNOYKS-XYZCENFISA-N 0 0 379.268 4.267 40 0 GIABRN CCOC(=O)[C@@H](Cc1cn(C(C)=O)c2ccccc12)P(=O)(OCC)OCC ZINC000005830848 204153343 /nfs/dbraw/zinc/15/33/43/204153343.db2.gz YQTBZDKZLZTNRV-GOSISDBHSA-N 0 0 395.392 4.042 40 0 GIABRN COc1ccccc1NC(=O)N1CCC(C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000035291414 204155383 /nfs/dbraw/zinc/15/53/83/204155383.db2.gz CGGJADADCYWPTL-UHFFFAOYSA-N 0 0 381.476 4.195 40 0 GIABRN O=C(NCCCNC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000005895579 204155714 /nfs/dbraw/zinc/15/57/14/204155714.db2.gz RTOZSGVZCJXYAT-UHFFFAOYSA-N 0 0 381.263 4.327 40 0 GIABRN C[C@H]1[C@@H](NNc2ccccc2)Oc2cc3c(cc2[C@@H]1c1ccccc1O)OCO3 ZINC000005956722 204158327 /nfs/dbraw/zinc/15/83/27/204158327.db2.gz BBXMIJIOSXULBG-ILFDSTAHSA-N 0 0 390.439 4.224 40 0 GIABRN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2C ZINC000035316712 204168758 /nfs/dbraw/zinc/16/87/58/204168758.db2.gz POILVRQHEZAFRX-JTQLQIEISA-N 0 0 381.329 4.137 40 0 GIABRN CC[C@H]1C[C@@H](CNC(=O)Nc2ccc(I)cc2)C1(C)C ZINC000005469105 204135104 /nfs/dbraw/zinc/13/51/04/204135104.db2.gz UIAJZRNLRIXGIP-RYUDHWBXSA-N 0 0 386.277 4.485 40 0 GIABRN Cc1cc(O)c(C(=O)[C@H](C)SC(=S)N2CCCC2)cc1Br ZINC000005538711 204138600 /nfs/dbraw/zinc/13/86/00/204138600.db2.gz UQSQTPXUXWANHR-JTQLQIEISA-N 0 0 388.352 4.148 40 0 GIABRN Cc1cc(O)c(C(=O)[C@@H](C)SC(=S)N2CCCC2)cc1Br ZINC000005538689 204139190 /nfs/dbraw/zinc/13/91/90/204139190.db2.gz UQSQTPXUXWANHR-SNVBAGLBSA-N 0 0 388.352 4.148 40 0 GIABRN CCN1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2Cl)CC1 ZINC000005644266 204145052 /nfs/dbraw/zinc/14/50/52/204145052.db2.gz WRSATAIUXQXMET-UHFFFAOYSA-N 0 0 378.303 4.388 40 0 GIABRN Cc1ccc(NC(=O)c2ccc3nc(N4CCOCC4)sc3c2)c(Cl)c1 ZINC000006806324 204209148 /nfs/dbraw/zinc/20/91/48/204209148.db2.gz AZOCHEDRHKZYKS-UHFFFAOYSA-N 0 0 387.892 4.347 40 0 GIABRN COc1ccc(NC(=O)c2cccc(Br)c2)cc1Br ZINC000006846950 204215424 /nfs/dbraw/zinc/21/54/24/204215424.db2.gz YQYVGDWMFMVFIJ-UHFFFAOYSA-N 0 0 385.055 4.473 40 0 GIABRN CCOc1cccc(C(=O)Nc2ccc(N3CCN(CC)CC3)c(Cl)c2)c1 ZINC000006241925 204173103 /nfs/dbraw/zinc/17/31/03/204173103.db2.gz PIOSTGIAXUHAIR-UHFFFAOYSA-N 0 0 387.911 4.133 40 0 GIABRN COc1cc(OC)cc(C(=O)Nc2nc3cc(Cl)c(OC)cc3s2)c1 ZINC000006441150 204178947 /nfs/dbraw/zinc/17/89/47/204178947.db2.gz SZKPSBQKTDBTKA-UHFFFAOYSA-N 0 0 378.837 4.228 40 0 GIABRN CC1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccccc3)cc2)CC1 ZINC000006515665 204183000 /nfs/dbraw/zinc/18/30/00/204183000.db2.gz BNPUAJFQYPNNSM-KPKJPENVSA-N 0 0 379.529 4.449 40 0 GIABRN Cc1cc2oc(=O)cc(C)c2cc1OS(=O)(=O)c1cccc2ccccc21 ZINC000006922347 204224631 /nfs/dbraw/zinc/22/46/31/204224631.db2.gz UYLRYNSJDUCZPH-UHFFFAOYSA-N 0 0 380.421 4.331 40 0 GIABRN COc1ccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)cc1 ZINC000006953244 204228143 /nfs/dbraw/zinc/22/81/43/204228143.db2.gz NCZDQTLNBBXDJS-UHFFFAOYSA-N 0 0 376.412 4.234 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1OC ZINC000007307186 204238523 /nfs/dbraw/zinc/23/85/23/204238523.db2.gz VWVGEKJIIFKQRP-QFIPXVFZSA-N 0 0 397.496 4.080 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)CCSCc3ccccc3)n2)cc1 ZINC000007686052 204246808 /nfs/dbraw/zinc/24/68/08/204246808.db2.gz HSOPFXRUGUERGH-UHFFFAOYSA-N 0 0 381.501 4.327 40 0 GIABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccccc1Cl ZINC000007759084 204248626 /nfs/dbraw/zinc/24/86/26/204248626.db2.gz ZUKWVMSZRJUOBV-UHFFFAOYSA-N 0 0 392.242 4.081 40 0 GIABRN Cc1ccc(C)c(OCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000007759499 204248941 /nfs/dbraw/zinc/24/89/41/204248941.db2.gz ADDVVWKKONLDQM-UHFFFAOYSA-N 0 0 385.851 4.044 40 0 GIABRN COc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccc(F)cc2)no1 ZINC000007941075 204254742 /nfs/dbraw/zinc/25/47/42/204254742.db2.gz LQZWGLHMAYGQIW-UHFFFAOYSA-N 0 0 375.787 4.109 40 0 GIABRN COc1cc(CNC(=S)Nc2ccc(C)c(Cl)c2)cc(OC)c1OC ZINC000008150267 204262908 /nfs/dbraw/zinc/26/29/08/204262908.db2.gz PWRFFVXRZJFPPL-UHFFFAOYSA-N 0 0 380.897 4.161 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccccc3)c2)cc1 ZINC000008195869 204265451 /nfs/dbraw/zinc/26/54/51/204265451.db2.gz GQLUEFKTFRKKRT-QGZVFWFLSA-N 0 0 394.496 4.287 40 0 GIABRN COC(=O)C1C(CSc2ccc(C)cc2)=NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000008306810 204271191 /nfs/dbraw/zinc/27/11/91/204271191.db2.gz FICRBMKEZIUIIT-FQEVSTJZSA-N 0 0 396.512 4.185 40 0 GIABRN COc1cc(CNC(=O)CCc2ccc(C(C)(C)C)cc2)cc(OC)c1OC ZINC000008361679 204274625 /nfs/dbraw/zinc/27/46/25/204274625.db2.gz VLXRFBVUCMBNHJ-UHFFFAOYSA-N 0 0 385.504 4.259 40 0 GIABRN Cc1ccc(-c2nnc3s/c(=C\c4ccc(-c5ccccc5)cc4)c(=O)n32)cc1 ZINC000009187890 204302148 /nfs/dbraw/zinc/30/21/48/204302148.db2.gz GSSDJZCXJKXMED-QNGOZBTKSA-N 0 0 395.487 4.341 40 0 GIABRN CCOc1cccc(NC(=O)COc2ccc(CC)cc2Br)c1 ZINC000009816687 204324923 /nfs/dbraw/zinc/32/49/23/204324923.db2.gz SSGDZJPNLHPLHJ-UHFFFAOYSA-N 0 0 378.266 4.428 40 0 GIABRN Cc1cc(C)c2nc(Nc3nc(-c4ccc(F)cc4)cc(=O)[nH]3)nc(C)c2c1 ZINC000010157408 204332063 /nfs/dbraw/zinc/33/20/63/204332063.db2.gz BHZNNYPBZUGZNN-UHFFFAOYSA-N 0 0 375.407 4.188 40 0 GIABRN COc1ccc(CN(C)C(=O)COc2ccc(Cl)cc2Cl)cc1OC ZINC000010646112 204336882 /nfs/dbraw/zinc/33/68/82/204336882.db2.gz HCNDJFAGWBIDPB-UHFFFAOYSA-N 0 0 384.259 4.048 40 0 GIABRN CCCOc1cc(S(=O)(=O)NCc2ccc(C)cc2)ccc1Br ZINC000011613828 204347491 /nfs/dbraw/zinc/34/74/91/204347491.db2.gz QEVBUGWHBCHSFL-UHFFFAOYSA-N 0 0 398.322 4.025 40 0 GIABRN O=C(NCc1cccs1)C1(Cc2ccccc2-c2cccnc2)CCOCC1 ZINC000012088964 204371300 /nfs/dbraw/zinc/37/13/00/204371300.db2.gz VBKHALYATKNWMP-UHFFFAOYSA-N 0 0 392.524 4.466 40 0 GIABRN O=C(CCCc1c[nH]c2ccccc12)N1CCC(C(=O)c2cccnc2)CC1 ZINC000012143301 204374915 /nfs/dbraw/zinc/37/49/15/204374915.db2.gz FTQIXXZGDGCNOG-UHFFFAOYSA-N 0 0 375.472 4.007 40 0 GIABRN O=C(CC1CCCCC1)N1CCC[C@@H](Cn2nc(-c3cccs3)ccc2=O)C1 ZINC000012145184 204374962 /nfs/dbraw/zinc/37/49/62/204374962.db2.gz HDSVMWONYMTGEH-GOSISDBHSA-N 0 0 399.560 4.181 40 0 GIABRN CCn1cc(CC(=O)N[C@H](C)c2nc(-c3ccccc3C)no2)c2ccccc21 ZINC000012148617 204376782 /nfs/dbraw/zinc/37/67/82/204376782.db2.gz VCRFQFSQCBCYJG-MRXNPFEDSA-N 0 0 388.471 4.440 40 0 GIABRN CCc1c(C)noc1-c1cnc(N2CCC[C@H](C)C2)nc1-c1cnc(C)cn1 ZINC000012156400 204377077 /nfs/dbraw/zinc/37/70/77/204377077.db2.gz VCNCSMFXYWJIJR-ZDUSSCGKSA-N 0 0 378.480 4.004 40 0 GIABRN COc1ccc2cnc([C@H]3CCCN(C(=O)c4cc(C5CC5)on4)C3)cc2c1C ZINC000012187953 204379593 /nfs/dbraw/zinc/37/95/93/204379593.db2.gz UHNOAMLDQRGROK-KRWDZBQOSA-N 0 0 391.471 4.437 40 0 GIABRN COc1ccc(CNc2ncc(-c3cc(C)no3)c(-c3ccco3)n2)cc1OC ZINC000012184348 204380229 /nfs/dbraw/zinc/38/02/29/204380229.db2.gz HZECBAQGKBQYCI-UHFFFAOYSA-N 0 0 392.415 4.329 40 0 GIABRN CC(=O)N1c2ccc(NC(=O)c3nc(-c4ccc(F)cc4)oc3C)cc2C[C@H]1C ZINC000012204666 204382331 /nfs/dbraw/zinc/38/23/31/204382331.db2.gz ZMWXNFDRMGPQCN-GFCCVEGCSA-N 0 0 393.418 4.339 40 0 GIABRN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3Cc3ccccn3)cc2n1 ZINC000012223007 204384728 /nfs/dbraw/zinc/38/47/28/204384728.db2.gz NXGHSCPKGKENRO-INIZCTEOSA-N 0 0 375.398 4.179 40 0 GIABRN CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000012238657 204385968 /nfs/dbraw/zinc/38/59/68/204385968.db2.gz BHGALERKHJGASP-LJQANCHMSA-N 0 0 394.425 4.260 40 0 GIABRN COc1ccc(CCN2Cc3cc4cc(C)ccc4nc3OC2=O)cc1OC ZINC000012236803 204386767 /nfs/dbraw/zinc/38/67/67/204386767.db2.gz FQSGMDIGELIUST-UHFFFAOYSA-N 0 0 378.428 4.118 40 0 GIABRN Cc1oc2ncn3nc([C@@H](NC(=O)[C@H](C)c4ccccc4)C(C)C)nc3c2c1C ZINC000012236128 204387056 /nfs/dbraw/zinc/38/70/56/204387056.db2.gz VEZJQMNNPSBMEP-KDOFPFPSSA-N 0 0 391.475 4.104 40 0 GIABRN CCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 ZINC000013684687 204504124 /nfs/dbraw/zinc/50/41/24/204504124.db2.gz PNGSGSKBKNPBCT-UHFFFAOYSA-N 0 0 389.455 4.053 40 0 GIABRN Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 ZINC000013684554 204504904 /nfs/dbraw/zinc/50/49/04/204504904.db2.gz PKOOLTPDVBSGMX-UHFFFAOYSA-N 0 0 392.455 4.152 40 0 GIABRN CCc1ccccc1NC(=O)CSc1nnc([C@H](C)Oc2ccccc2)n1C ZINC000013849616 204516250 /nfs/dbraw/zinc/51/62/50/204516250.db2.gz CGIUSUSRRHTOFI-HNNXBMFYSA-N 0 0 396.516 4.248 40 0 GIABRN C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000015197284 204563357 /nfs/dbraw/zinc/56/33/57/204563357.db2.gz GKJMQWHZRRGKIP-KRWDZBQOSA-N 0 0 393.508 4.099 40 0 GIABRN CCn1ncc(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c32)c1C ZINC000036618326 204567540 /nfs/dbraw/zinc/56/75/40/204567540.db2.gz ZNXGISZSZQRDEP-UHFFFAOYSA-N 0 0 379.395 4.114 40 0 GIABRN COc1ccccc1OCCNC(=O)c1cccc(OCc2ccccc2)c1 ZINC000015381294 204567826 /nfs/dbraw/zinc/56/78/26/204567826.db2.gz VAVUHGYEYUCIAV-UHFFFAOYSA-N 0 0 377.440 4.083 40 0 GIABRN O=C(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)c1ccnn1C(F)F ZINC000019375829 204642357 /nfs/dbraw/zinc/64/23/57/204642357.db2.gz SXRNJZHWUBYDEW-UHFFFAOYSA-N 0 0 381.386 4.192 40 0 GIABRN CNc1cc(C2CCN(C(=O)CC(C)(C)C)CC2)nc(-c2cnc(C)s2)n1 ZINC000019287371 204634753 /nfs/dbraw/zinc/63/47/53/204634753.db2.gz MAADSTUXGBMADH-UHFFFAOYSA-N 0 0 387.553 4.092 40 0 GIABRN O=C(C[C@@H]1CCCCO1)N1CCC(c2ccc(Cc3ccccc3F)cn2)CC1 ZINC000019690519 204670429 /nfs/dbraw/zinc/67/04/29/204670429.db2.gz PTVGEZGDSSLHAK-NRFANRHFSA-N 0 0 396.506 4.477 40 0 GIABRN COCCC(=O)N1CCC(c2cc(Cc3ccccc3Cl)cc(C)n2)CC1 ZINC000019691700 204670477 /nfs/dbraw/zinc/67/04/77/204670477.db2.gz LCSVECGYWRDZLF-UHFFFAOYSA-N 0 0 386.923 4.377 40 0 GIABRN CC(C)C(=O)N1CCC(c2nc(N(C)C)ncc2-c2cccc(Cl)c2)CC1 ZINC000019694152 204671170 /nfs/dbraw/zinc/67/11/70/204671170.db2.gz FVSPOSOKAQYTKQ-UHFFFAOYSA-N 0 0 386.927 4.225 40 0 GIABRN Cc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)N4CCCC4)c3C)n[nH]2)cc1 ZINC000019718358 204677536 /nfs/dbraw/zinc/67/75/36/204677536.db2.gz MITHPFVNDJUYTJ-UHFFFAOYSA-N 0 0 388.471 4.182 40 0 GIABRN CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)C2CCC2)C1 ZINC000019528833 204650567 /nfs/dbraw/zinc/65/05/67/204650567.db2.gz QYYJANLECZPDEH-QHCPKHFHSA-N 0 0 396.556 4.113 40 0 GIABRN Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)C2CCCCC2)c1C ZINC000019558356 204654275 /nfs/dbraw/zinc/65/42/75/204654275.db2.gz HAOJNDHSTNPDIB-SFHVURJKSA-N 0 0 397.523 4.058 40 0 GIABRN Cc1nn([C@@H](C)CC(=O)N[C@@H](c2cccs2)c2ccncc2)c(C)c1Cl ZINC000019577556 204659764 /nfs/dbraw/zinc/65/97/64/204659764.db2.gz HUJRZQUXFLGYSG-HXPMCKFVSA-N 0 0 388.924 4.467 40 0 GIABRN O=c1c2cnc(N3CCCCC3)nc2ccn1-c1ccc(Cl)cc1Cl ZINC000019958929 204696101 /nfs/dbraw/zinc/69/61/01/204696101.db2.gz YSLYVCLZGUDWSJ-UHFFFAOYSA-N 0 0 375.259 4.078 40 0 GIABRN CC[C@H](NC(=O)c1ccc(I)cc1)c1ccc(C)cc1 ZINC000070134580 204995421 /nfs/dbraw/zinc/99/54/21/204995421.db2.gz HLKVJEVCGHYSSY-INIZCTEOSA-N 0 0 379.241 4.481 40 0 GIABRN CCOC(=O)C1=C(C)N=C2S[C@H](c3ccccc3)C(=O)N2[C@@H]1c1ccccc1 ZINC000036624799 205020730 /nfs/dbraw/zinc/02/07/30/205020730.db2.gz AKVCMNUBPUVVJS-RTBURBONSA-N 0 0 392.480 4.251 40 0 GIABRN CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1Cl ZINC000038752113 205037251 /nfs/dbraw/zinc/03/72/51/205037251.db2.gz MEWJXANBRALDLL-UHFFFAOYSA-N 0 0 388.272 4.112 40 0 GIABRN Cc1nc2nc3ccn([C@H]4CCCC[C@@H]4C)c(=O)c3c(-c3ccc(F)cc3)n2n1 ZINC000040398548 205063640 /nfs/dbraw/zinc/06/36/40/205063640.db2.gz OMNAQROCNLFTHF-UGSOOPFHSA-N 0 0 391.450 4.305 40 0 GIABRN COc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000044842912 205085832 /nfs/dbraw/zinc/08/58/32/205085832.db2.gz BNRDWTVRYOXMIW-KBPBESRZSA-N 0 0 375.490 4.070 40 0 GIABRN O=C(NCc1ccccc1-n1ccnc1)c1ccccc1OCc1ccccc1 ZINC000044844844 205088450 /nfs/dbraw/zinc/08/84/50/205088450.db2.gz MTTKMUJTIJHKKE-UHFFFAOYSA-N 0 0 383.451 4.381 40 0 GIABRN Cc1nccn1Cc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 ZINC000044918652 205090887 /nfs/dbraw/zinc/09/08/87/205090887.db2.gz JPBWMWZBRXWTKQ-FQEVSTJZSA-N 0 0 375.472 4.272 40 0 GIABRN O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(Cn2ccnc2)cc1 ZINC000044915936 205091469 /nfs/dbraw/zinc/09/14/69/205091469.db2.gz QRERSXSIUYYIPR-UHFFFAOYSA-N 0 0 381.435 4.415 40 0 GIABRN CC(=O)O[C@@H](CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000045329751 205095659 /nfs/dbraw/zinc/09/56/59/205095659.db2.gz RVZCOWDYEYRQKT-UXHICEINSA-N 0 0 399.418 4.320 40 0 GIABRN O=C(NCCOc1cccc2ccccc21)C1(c2ccccc2)CCOCC1 ZINC000055775503 205150771 /nfs/dbraw/zinc/15/07/71/205150771.db2.gz BGJVGIMUXYKNCS-UHFFFAOYSA-N 0 0 375.468 4.083 40 0 GIABRN COc1ccc(CN(Cc2nnnn2C(C)(C)C)Cc2ccccc2Cl)cc1 ZINC000057614085 205159862 /nfs/dbraw/zinc/15/98/62/205159862.db2.gz RYXLCVFVEBPDQY-UHFFFAOYSA-N 0 0 399.926 4.293 40 0 GIABRN CCOc1cccc(CNC(=O)COc2ccc(Br)cc2Cl)c1 ZINC000057669613 205160345 /nfs/dbraw/zinc/16/03/45/205160345.db2.gz RNLWOOOBCJMEOH-UHFFFAOYSA-N 0 0 398.684 4.196 40 0 GIABRN COc1ccccc1C(=O)N1[C@H](C(=O)N[C@H]2CCCC[C@H]2C)C[C@@H]2CCCC[C@@H]21 ZINC000058788499 205178075 /nfs/dbraw/zinc/17/80/75/205178075.db2.gz PFEAOGPSDOLYCY-DIZVHYTASA-N 0 0 398.547 4.163 40 0 GIABRN COC[C@@H](C)NC(=O)C1(Cc2ccccc2-c2ccc(C)cc2C)CCOCC1 ZINC000060016489 205180821 /nfs/dbraw/zinc/18/08/21/205180821.db2.gz JPMLGQVOOLMXAW-HXUWFJFHSA-N 0 0 395.543 4.461 40 0 GIABRN O=C(Nc1ccc(OC2CCCC2)cc1)c1cccc(CN2CCOCC2)c1 ZINC000068548933 205271309 /nfs/dbraw/zinc/27/13/09/205271309.db2.gz JXXKNPHDPBFLDE-UHFFFAOYSA-N 0 0 380.488 4.093 40 0 GIABRN COc1ccccc1[C@@H](C)Nc1c(C)c(C)nc2cc(C3CCOCC3)nn21 ZINC000072337431 205327199 /nfs/dbraw/zinc/32/71/99/205327199.db2.gz QRBDBEFGHPWGLH-MRXNPFEDSA-N 0 0 380.492 4.422 40 0 GIABRN CCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)CC)CC1 ZINC000072345145 205328995 /nfs/dbraw/zinc/32/89/95/205328995.db2.gz GPEKFYIMDKRTPD-UHFFFAOYSA-N 0 0 392.543 4.359 40 0 GIABRN O=C(Cc1ccccn1)N1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000072349464 205330132 /nfs/dbraw/zinc/33/01/32/205330132.db2.gz YCCJGCUSQBXBJE-SFHVURJKSA-N 0 0 375.447 4.231 40 0 GIABRN COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4cccnc4)C3)n2)c1 ZINC000072349379 205330542 /nfs/dbraw/zinc/33/05/42/205330542.db2.gz QJWDUPPUXBXWDK-HXUWFJFHSA-N 0 0 387.483 4.101 40 0 GIABRN Cc1ccccc1Cc1cccc(C2CCN(C(=O)Cc3ccccn3)CC2)n1 ZINC000072349480 205331169 /nfs/dbraw/zinc/33/11/69/205331169.db2.gz JEIJTMWEJGQALA-UHFFFAOYSA-N 0 0 385.511 4.325 40 0 GIABRN O=C(Nc1nccs1)c1cccc([C@H]2CCCN2C(=O)C2CCCCC2)n1 ZINC000072354395 205332068 /nfs/dbraw/zinc/33/20/68/205332068.db2.gz OZLROUDUWCXICW-QGZVFWFLSA-N 0 0 384.505 4.034 40 0 GIABRN COCC(=O)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072357865 205332116 /nfs/dbraw/zinc/33/21/16/205332116.db2.gz RUMBONBREDJAAO-SFHVURJKSA-N 0 0 378.394 4.001 40 0 GIABRN Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN(C(=O)c3ccnn3C)C2)n1 ZINC000072354083 205332195 /nfs/dbraw/zinc/33/21/95/205332195.db2.gz QHZRJGAFCLTNIX-NRFANRHFSA-N 0 0 388.515 4.043 40 0 GIABRN O=C(COc1ccccc1)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1 ZINC000072358667 205333523 /nfs/dbraw/zinc/33/35/23/205333523.db2.gz ZPKBZPUGHAUFSK-KRWDZBQOSA-N 0 0 391.446 4.068 40 0 GIABRN CC(C)(O)C(=O)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358175 205333680 /nfs/dbraw/zinc/33/36/80/205333680.db2.gz TXIJRVYMHHIKJV-SFHVURJKSA-N 0 0 392.421 4.126 40 0 GIABRN Cc1cccc(-c2cncc([C@@H]3CCCN(C(=O)COc4ccccc4)C3)n2)c1 ZINC000072359472 205333705 /nfs/dbraw/zinc/33/37/05/205333705.db2.gz MLCDSKMGFLJLQS-HXUWFJFHSA-N 0 0 387.483 4.237 40 0 GIABRN Cc1ccccc1/C(Cl)=C(/NC(=O)c1ccccc1)C(=O)N1CCCCC1 ZINC000072176152 205317883 /nfs/dbraw/zinc/31/78/83/205317883.db2.gz SIQXMIUJAVECCG-VXPUYCOJSA-N 0 0 382.891 4.345 40 0 GIABRN Cc1cnc(Nc2cc([C@@H]3CCCN3C(=O)c3ccccc3)nc(C)n2)s1 ZINC000072359904 205334256 /nfs/dbraw/zinc/33/42/56/205334256.db2.gz MIGFIADKFAXNAA-KRWDZBQOSA-N 0 0 379.489 4.271 40 0 GIABRN O=C(c1ccncc1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359515 205334286 /nfs/dbraw/zinc/33/42/86/205334286.db2.gz WHUSCJBTBQMOMR-KRWDZBQOSA-N 0 0 378.863 4.212 40 0 GIABRN Nc1cccc(C(=O)N2CCC[C@@H](c3cccc(-c4ccc(F)cc4)n3)C2)c1 ZINC000072361044 205334303 /nfs/dbraw/zinc/33/43/03/205334303.db2.gz AHYBAXVARMWPJJ-GOSISDBHSA-N 0 0 375.447 4.490 40 0 GIABRN CN1CCCC[C@H](C2CCN(C(=O)c3ccccc3-c3ccccc3)CC2)C1=O ZINC000072372039 205336439 /nfs/dbraw/zinc/33/64/39/205336439.db2.gz YNIRSMVPKFBYSR-JOCHJYFZSA-N 0 0 390.527 4.464 40 0 GIABRN CCc1nnc([N-]c2cncc([C@@H]3CCC[N@@H+]3Cc3cccc(C)c3)n2)s1 ZINC000072376317 205337060 /nfs/dbraw/zinc/33/70/60/205337060.db2.gz QJBIRERNUMAXPL-KRWDZBQOSA-N 0 0 380.521 4.280 40 0 GIABRN Cc1cc(C)nc(Nc2ccc(C3CCN(C(=O)C[C@@H]4C=CCC4)CC3)nc2)n1 ZINC000072374296 205338590 /nfs/dbraw/zinc/33/85/90/205338590.db2.gz ZNHBHQIVVPOBJG-GOSISDBHSA-N 0 0 391.519 4.294 40 0 GIABRN Cc1cc(C)nc(Nc2ccc(C3CCN(C(=O)C[C@H]4C=CCC4)CC3)nc2)n1 ZINC000072374295 205338668 /nfs/dbraw/zinc/33/86/68/205338668.db2.gz ZNHBHQIVVPOBJG-SFHVURJKSA-N 0 0 391.519 4.294 40 0 GIABRN Cc1nccn1-c1cccc([C@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)n1 ZINC000072379248 205339991 /nfs/dbraw/zinc/33/99/91/205339991.db2.gz KWUXCQAINAGYHQ-IBGZPJMESA-N 0 0 392.478 4.054 40 0 GIABRN Cc1ccc(Nc2nccc([C@H]3CCCN(C(=O)C4CCCCC4)C3)n2)nc1 ZINC000072377671 205340158 /nfs/dbraw/zinc/34/01/58/205340158.db2.gz BMYNEWXXOVXBKE-SFHVURJKSA-N 0 0 379.508 4.210 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2nc(C)cc(Oc3ccccc3F)n2)o1 ZINC000072384113 205340165 /nfs/dbraw/zinc/34/01/65/205340165.db2.gz TYPFBMOYSMMAPN-MRXNPFEDSA-N 0 0 396.422 4.299 40 0 GIABRN Cc1cc(Oc2ccccc2)nc([C@H]2CCCCN2C(=O)C2CCOCC2)n1 ZINC000072384274 205340353 /nfs/dbraw/zinc/34/03/53/205340353.db2.gz ADODXAPSAUWWLB-LJQANCHMSA-N 0 0 381.476 4.058 40 0 GIABRN Cc1cc(Oc2ccc(F)cc2)nc([C@@H]2CCCCN2C(=O)C2CCOCC2)n1 ZINC000072384275 205340357 /nfs/dbraw/zinc/34/03/57/205340357.db2.gz PYGRQVQTTRKHCA-IBGZPJMESA-N 0 0 399.466 4.197 40 0 GIABRN Cc1nc(C(=O)N2CCCC[C@H]2c2nc(C)cc(Oc3ccccc3)n2)co1 ZINC000072384491 205341733 /nfs/dbraw/zinc/34/17/33/205341733.db2.gz NSJKNDCCFOIBEN-SFHVURJKSA-N 0 0 378.432 4.241 40 0 GIABRN CC1(C)Cc2c(cnn2Cc2ccccc2)[C@H](NC(=O)Cc2ccccc2F)C1 ZINC000072396210 205344126 /nfs/dbraw/zinc/34/41/26/205344126.db2.gz GRXMSCWNMCCHNX-OAQYLSRUSA-N 0 0 391.490 4.443 40 0 GIABRN CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@@H](C)C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000079794314 205383825 /nfs/dbraw/zinc/38/38/25/205383825.db2.gz ODVZWAWQENIRKD-FPGXDWIWSA-N 0 0 388.548 4.447 40 0 GIABRN COCCn1c(C(=O)NCc2ccccn2)cc2c1c1ccccc1n2C(C)C ZINC000096146350 205532400 /nfs/dbraw/zinc/53/24/00/205532400.db2.gz OCFRPJMMIFLPLF-UHFFFAOYSA-N 0 0 390.487 4.148 40 0 GIABRN CC(C)[C@H](C)NC(=O)c1cnc(-c2noc3cc(N4CCCC4)ccc32)s1 ZINC000096154557 205537439 /nfs/dbraw/zinc/53/74/39/205537439.db2.gz SXHYYOOHPBADPJ-ZDUSSCGKSA-N 0 0 384.505 4.326 40 0 GIABRN O=C(c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1)N1CCCO1 ZINC000096037825 205517959 /nfs/dbraw/zinc/51/79/59/205517959.db2.gz QEAKPWNIRZTYNB-UHFFFAOYSA-N 0 0 379.347 4.066 40 0 GIABRN COc1ccc([C@H]2CC(=O)[C@H]3C(C)=Nc4ccccc4N[C@@H]3C2)c(OC)c1OC ZINC000100855768 205613434 /nfs/dbraw/zinc/61/34/34/205613434.db2.gz FNGFKBLYDOQYFO-IQVOZAENSA-N 0 0 394.471 4.362 40 0 GIABRN CC(C)c1ccc(CCCNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000116657069 205681383 /nfs/dbraw/zinc/68/13/83/205681383.db2.gz OWMFZDPFQQCERR-UHFFFAOYSA-N 0 0 378.516 4.295 40 0 GIABRN COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCC2)cc1 ZINC000001359182 205709446 /nfs/dbraw/zinc/70/94/46/205709446.db2.gz VUEKGGGVVWHRPS-UHFFFAOYSA-N 0 0 390.483 4.430 40 0 GIABRN Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=O)N3CCCC3)c(=O)[nH]c12 ZINC000001367041 205711801 /nfs/dbraw/zinc/71/18/01/205711801.db2.gz VXDMNAKPBMZAME-UHFFFAOYSA-N 0 0 393.462 4.194 40 0 GIABRN CCc1ccccc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000001364549 205712004 /nfs/dbraw/zinc/71/20/04/205712004.db2.gz XUPBXRORUOKENK-UHFFFAOYSA-N 0 0 392.528 4.497 40 0 GIABRN CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1Cl ZINC000141818029 205698811 /nfs/dbraw/zinc/69/88/11/205698811.db2.gz LKBJUJROUODDQE-UHFFFAOYSA-N 0 0 389.879 4.434 40 0 GIABRN COc1cc(C(=S)N2CCCCC2)ccc1OC(=O)/C=C/c1ccccc1 ZINC000000885707 205699102 /nfs/dbraw/zinc/69/91/02/205699102.db2.gz DLKCNKUHOVSREH-JLHYYAGUSA-N 0 0 381.497 4.475 40 0 GIABRN O=C(Nc1cccc(O)c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000000919488 205702765 /nfs/dbraw/zinc/70/27/65/205702765.db2.gz CIKINHUFTACVTF-IUODEOHRSA-N 0 0 392.337 4.094 40 0 GIABRN Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccccc2Cl)o1 ZINC000000925069 205703514 /nfs/dbraw/zinc/70/35/14/205703514.db2.gz GXKDNYRKBRVWMV-UHFFFAOYSA-N 0 0 389.864 4.341 40 0 GIABRN COCCN(C(=O)COc1ccc(C)cc1)c1nc(-c2ccccc2)cs1 ZINC000004188829 205740104 /nfs/dbraw/zinc/74/01/04/205740104.db2.gz HSXXEBFKKWNIOQ-UHFFFAOYSA-N 0 0 382.485 4.177 40 0 GIABRN COc1ccc2c(c1)CC[C@@H]1[C@@H]3CCC(OC(C)=O)(OC(C)=O)[C@@]3(C)CC[C@H]21 ZINC000004026636 205730858 /nfs/dbraw/zinc/73/08/58/205730858.db2.gz LMOAKIHOZGZJJD-MLNNCEHLSA-N 0 0 386.488 4.374 40 0 GIABRN COc1ccc(C2(NC(=O)CCn3ncc4ccccc43)CCCCC2)cc1 ZINC000005007281 205760622 /nfs/dbraw/zinc/76/06/22/205760622.db2.gz KXHIUFUMUIZIOV-UHFFFAOYSA-N 0 0 377.488 4.411 40 0 GIABRN O=C(CSc1n[nH]c(-c2ccccc2O)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000005522537 205768743 /nfs/dbraw/zinc/76/87/43/205768743.db2.gz VGTXJLWSLJHJIN-UHFFFAOYSA-N 0 0 395.271 4.215 40 0 GIABRN Cc1[nH]nc2c1[C@@H](c1ccc(OCc3ccccc3)cc1)S[C@H](C)C(=O)N2 ZINC000006678672 205778312 /nfs/dbraw/zinc/77/83/12/205778312.db2.gz KPGHTTADVZYSAZ-AUUYWEPGSA-N 0 0 379.485 4.460 40 0 GIABRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(I)cc2C)cc1 ZINC000008477641 205822406 /nfs/dbraw/zinc/82/24/06/205822406.db2.gz PQRHKJKSNBZAAS-ZDUSSCGKSA-N 0 0 395.240 4.314 40 0 GIABRN Cn1ccc2c1cccc2NC(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000101372372 205809542 /nfs/dbraw/zinc/80/95/42/205809542.db2.gz BJQVWGXZTUOIBY-IYBDPMFKSA-N 0 0 385.508 4.448 40 0 GIABRN CC[C@@H](c1nn2c(nnc2-c2ccc(OC)c(OC)c2)s1)c1ccccc1 ZINC000013566794 205888163 /nfs/dbraw/zinc/88/81/63/205888163.db2.gz CPYBROOTXIGWEB-OAHLLOKOSA-N 0 0 380.473 4.412 40 0 GIABRN CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cc(OC)cc(OC)c1 ZINC000013479857 205889354 /nfs/dbraw/zinc/88/93/54/205889354.db2.gz YDQCKFFDWRHODO-UHFFFAOYSA-N 0 0 394.471 4.318 40 0 GIABRN Cc1ccn(C(=O)CCNC(=O)c2ccccc2Cl)/c(=N/C2CCCCC2)c1 ZINC000010799633 205863436 /nfs/dbraw/zinc/86/34/36/205863436.db2.gz IQIXQRJWQFIZEV-LKUDQCMESA-N 0 0 399.922 4.144 40 0 GIABRN CCc1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)c(Br)c1 ZINC000216297316 205932212 /nfs/dbraw/zinc/93/22/12/205932212.db2.gz APRPRRAZJZUJLN-GFCCVEGCSA-N 0 0 380.257 4.407 40 0 GIABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000219333717 205954343 /nfs/dbraw/zinc/95/43/43/205954343.db2.gz BNEHHNYSQWMTBL-GOSISDBHSA-N 0 0 399.878 4.481 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cccc(C)c3C)n2)c1 ZINC000219311736 205955145 /nfs/dbraw/zinc/95/51/45/205955145.db2.gz DEEAMVSJFISTAF-QGZVFWFLSA-N 0 0 379.460 4.088 40 0 GIABRN CC[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000219292970 205955249 /nfs/dbraw/zinc/95/52/49/205955249.db2.gz LRTZBNWXKCHSPK-GUYCJALGSA-N 0 0 377.868 4.392 40 0 GIABRN COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccc(C)c(C)c1)CC(C)(C)O2 ZINC000219519072 205958140 /nfs/dbraw/zinc/95/81/40/205958140.db2.gz CCXDGKIEWWLQGF-OXJNMPFZSA-N 0 0 383.488 4.498 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1C ZINC000222411775 205978801 /nfs/dbraw/zinc/97/88/01/205978801.db2.gz ZWYVHNFYHFTARJ-JOCHJYFZSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1F ZINC000222412204 205979210 /nfs/dbraw/zinc/97/92/10/205979210.db2.gz KBONCJADFRBLFQ-OAQYLSRUSA-N 0 0 384.495 4.009 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 ZINC000222734255 205986156 /nfs/dbraw/zinc/98/61/56/205986156.db2.gz KXLGGHHZMOZIPH-CQSZACIVSA-N 0 0 393.314 4.089 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2cc(C)ccc2C)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222775878 205986878 /nfs/dbraw/zinc/98/68/78/205986878.db2.gz ZIASLWPHXCLYLS-FQEVSTJZSA-N 0 0 394.559 4.486 40 0 GIABRN CCC[C@@H](C)Nc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000223413009 206000125 /nfs/dbraw/zinc/00/01/25/206000125.db2.gz SZSKYLWWSBUYAS-OAHLLOKOSA-N 0 0 390.505 4.183 40 0 GIABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 ZINC000222932636 205989240 /nfs/dbraw/zinc/98/92/40/205989240.db2.gz GSKOHPTUSOMOBP-NHCUHLMSSA-N 0 0 392.528 4.206 40 0 GIABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000223043605 205990927 /nfs/dbraw/zinc/99/09/27/205990927.db2.gz JZHHMHWXPGTFCD-UHFFFAOYSA-N 0 0 394.283 4.194 40 0 GIABRN CCC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223424552 206000280 /nfs/dbraw/zinc/00/02/80/206000280.db2.gz SQZOBHNLZCFPPA-KNQAVFIVSA-N 0 0 380.532 4.260 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1 ZINC000223179793 205993816 /nfs/dbraw/zinc/99/38/16/205993816.db2.gz WEWUHOCMFZMXFE-NRFANRHFSA-N 0 0 380.532 4.260 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 ZINC000223269807 205995734 /nfs/dbraw/zinc/99/57/34/205995734.db2.gz ARMLEPYRVQEEQF-NRFANRHFSA-N 0 0 396.531 4.096 40 0 GIABRN CCCC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NCC ZINC000223315713 205996488 /nfs/dbraw/zinc/99/64/88/205996488.db2.gz MDQKVFVXKVZZBV-HXUWFJFHSA-N 0 0 386.923 4.216 40 0 GIABRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)Cc1ccc(Cl)cc1F ZINC000223419586 206000486 /nfs/dbraw/zinc/00/04/86/206000486.db2.gz ZXESGLCCHBCBDC-UHFFFAOYSA-N 0 0 394.233 4.384 40 0 GIABRN CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C ZINC000223341063 205997854 /nfs/dbraw/zinc/99/78/54/205997854.db2.gz RESWMCREVSDNMH-WOJBJXKFSA-N 0 0 380.517 4.286 40 0 GIABRN CCOC(=O)c1cccc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 ZINC000223349254 205998636 /nfs/dbraw/zinc/99/86/36/205998636.db2.gz CIUMBMBLAAESIT-UHFFFAOYSA-N 0 0 391.489 4.105 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CCc1ccccc1 ZINC000222568211 205982157 /nfs/dbraw/zinc/98/21/57/205982157.db2.gz BRPIHHOYRJMWBM-NZQKXSOJSA-N 0 0 394.559 4.384 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 ZINC000223595879 206002398 /nfs/dbraw/zinc/00/23/98/206002398.db2.gz DXVZCJJBXVYKCX-LJQANCHMSA-N 0 0 398.572 4.339 40 0 GIABRN COc1ccc(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1C ZINC000223610578 206002935 /nfs/dbraw/zinc/00/29/35/206002935.db2.gz GYNYBLWIGDWZHJ-UHFFFAOYSA-N 0 0 380.488 4.247 40 0 GIABRN CC[C@@H](Oc1ccccc1OC)C(=O)NCCOc1ccc2ccccc2c1 ZINC000223627114 206003174 /nfs/dbraw/zinc/00/31/74/206003174.db2.gz JTXKTSLXPQYQIA-HXUWFJFHSA-N 0 0 379.456 4.201 40 0 GIABRN O=S(=O)(Cc1c(F)cccc1Cl)NCCOc1ccc2ccccc2c1 ZINC000223611263 206003500 /nfs/dbraw/zinc/00/35/00/206003500.db2.gz BWEGECZDBGQQPT-UHFFFAOYSA-N 0 0 393.867 4.131 40 0 GIABRN CC1(C)CCc2cc(S(=O)(=O)Nc3ccccc3Br)ccc2O1 ZINC000223659438 206003964 /nfs/dbraw/zinc/00/39/64/206003964.db2.gz UVXWMGAZUQIHEF-UHFFFAOYSA-N 0 0 396.306 4.354 40 0 GIABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000223652812 206004551 /nfs/dbraw/zinc/00/45/51/206004551.db2.gz LTURCDIWGXATIS-INIZCTEOSA-N 0 0 378.472 4.098 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223807480 206005587 /nfs/dbraw/zinc/00/55/87/206005587.db2.gz QWYBHXPVVDPEER-SFHVURJKSA-N 0 0 396.506 4.153 40 0 GIABRN Cc1ccccc1CN(C(=O)Cc1ccccc1)[C@H](C)C(=O)NC1CCCC1 ZINC000223757491 206005729 /nfs/dbraw/zinc/00/57/29/206005729.db2.gz DMRDRQLXUBBTKF-LJQANCHMSA-N 0 0 378.516 4.014 40 0 GIABRN COc1ccc(S(=O)(=O)NCCOc2ccccc2C(C)C)cc1C(C)C ZINC000223797077 206006061 /nfs/dbraw/zinc/00/60/61/206006061.db2.gz NDVAMHAWSLYEHE-UHFFFAOYSA-N 0 0 391.533 4.299 40 0 GIABRN CCc1cc(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)ccc1OC ZINC000223752181 206006160 /nfs/dbraw/zinc/00/61/60/206006160.db2.gz KEDGORVKRMYOEL-UHFFFAOYSA-N 0 0 375.534 4.376 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223791336 206006334 /nfs/dbraw/zinc/00/63/34/206006334.db2.gz ONGKSKUNKKHJHQ-HXUWFJFHSA-N 0 0 392.543 4.322 40 0 GIABRN CCOc1cccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 ZINC000223745788 206006570 /nfs/dbraw/zinc/00/65/70/206006570.db2.gz XFAICHBKXANREK-UHFFFAOYSA-N 0 0 389.517 4.010 40 0 GIABRN CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 ZINC000223915264 206008296 /nfs/dbraw/zinc/00/82/96/206008296.db2.gz MEGYHEPHLDJPMG-RTWAWAEBSA-N 0 0 391.544 4.146 40 0 GIABRN CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223921866 206008374 /nfs/dbraw/zinc/00/83/74/206008374.db2.gz QPWIKIVOOUMOMV-UHFFFAOYSA-N 0 0 398.509 4.462 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 ZINC000224344293 206018942 /nfs/dbraw/zinc/01/89/42/206018942.db2.gz MQEQRTPYGIDMOX-FQEVSTJZSA-N 0 0 386.923 4.134 40 0 GIABRN S=C(NCc1ccccc1Cl)Nc1ccc(Sc2ncccn2)nc1 ZINC000223936005 206009257 /nfs/dbraw/zinc/00/92/57/206009257.db2.gz WNLRPDKMDXLZKS-UHFFFAOYSA-N 0 0 387.921 4.163 40 0 GIABRN O=C(NCCC1=CCCCC1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223919675 206009459 /nfs/dbraw/zinc/00/94/59/206009459.db2.gz OOJNNYPHJCZSCS-UHFFFAOYSA-N 0 0 384.501 4.108 40 0 GIABRN S=C(NC[C@@H]1CCCO1)Nc1ccc(Sc2ccc(Cl)cc2)nc1 ZINC000223899335 206009496 /nfs/dbraw/zinc/00/94/96/206009496.db2.gz OKKZMAGVPRHRBD-AWEZNQCLSA-N 0 0 379.938 4.352 40 0 GIABRN Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc2c(c1)OCO2 ZINC000223999792 206009694 /nfs/dbraw/zinc/00/96/94/206009694.db2.gz BKEJRYDMMORIEA-ROUUACIJSA-N 0 0 395.509 4.357 40 0 GIABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccs2)cc1 ZINC000223958934 206010000 /nfs/dbraw/zinc/01/00/00/206010000.db2.gz OJKVGLOOPAUVQO-MOPGFXCFSA-N 0 0 394.525 4.279 40 0 GIABRN Cc1cc(C(=O)NCCC(C)C)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000224006893 206010846 /nfs/dbraw/zinc/01/08/46/206010846.db2.gz IXOWOQQMNXBFLV-UHFFFAOYSA-N 0 0 394.924 4.225 40 0 GIABRN Cc1cc(C)nc(NC(=S)NCC2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000224017175 206010911 /nfs/dbraw/zinc/01/09/11/206010911.db2.gz IUWMNKMLANWMHP-UHFFFAOYSA-N 0 0 389.952 4.387 40 0 GIABRN CCCSc1nnc(NC(=O)CCc2ccc(OCC)c(OCC)c2)s1 ZINC000224017833 206010951 /nfs/dbraw/zinc/01/09/51/206010951.db2.gz SLIPDBNUWKETFX-UHFFFAOYSA-N 0 0 395.550 4.409 40 0 GIABRN Cc1cccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 ZINC000224081297 206012033 /nfs/dbraw/zinc/01/20/33/206012033.db2.gz CJEXFHINNLYSPI-UHFFFAOYSA-N 0 0 394.496 4.068 40 0 GIABRN S=C(NCc1ccc2c(c1)OCO2)Nc1ccc(Oc2ccccc2)nc1 ZINC000224047018 206012178 /nfs/dbraw/zinc/01/21/78/206012178.db2.gz HFRALUQGYFJGEG-UHFFFAOYSA-N 0 0 379.441 4.089 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3C)c2)cc1 ZINC000224037039 206012269 /nfs/dbraw/zinc/01/22/69/206012269.db2.gz HYGQBYSMWAVNKN-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1 ZINC000224076608 206012435 /nfs/dbraw/zinc/01/24/35/206012435.db2.gz GKDKNWJMXIKSKL-LJQANCHMSA-N 0 0 398.572 4.109 40 0 GIABRN O=C(c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl)N1CCCC1 ZINC000224064702 206012603 /nfs/dbraw/zinc/01/26/03/206012603.db2.gz VIRUNCHXNIANJX-UHFFFAOYSA-N 0 0 399.299 4.030 40 0 GIABRN Cc1ccc(SCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224076373 206012712 /nfs/dbraw/zinc/01/27/12/206012712.db2.gz RXRRLZULZXUXGY-IBGZPJMESA-N 0 0 398.572 4.277 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 ZINC000224136936 206013143 /nfs/dbraw/zinc/01/31/43/206013143.db2.gz YAJUNYWKNZKJTC-NRFANRHFSA-N 0 0 398.572 4.339 40 0 GIABRN CCCC[C@H](CC)CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000224099065 206013221 /nfs/dbraw/zinc/01/32/21/206013221.db2.gz SXVPFFXHCJIMBU-SFHVURJKSA-N 0 0 394.581 4.116 40 0 GIABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCC ZINC000224109137 206013437 /nfs/dbraw/zinc/01/34/37/206013437.db2.gz WHCGVJGRGIQCLM-QFIPXVFZSA-N 0 0 380.532 4.261 40 0 GIABRN Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)c1 ZINC000224133460 206013561 /nfs/dbraw/zinc/01/35/61/206013561.db2.gz KEOZVKZZTDRVSJ-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1cccc(C)c1 ZINC000224132933 206013947 /nfs/dbraw/zinc/01/39/47/206013947.db2.gz SFJGCOXRPXRWDE-OAQYLSRUSA-N 0 0 398.572 4.172 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)c(C)c1C ZINC000224103027 206014090 /nfs/dbraw/zinc/01/40/90/206014090.db2.gz MKESKANUVXAWEY-UHFFFAOYSA-N 0 0 375.490 4.434 40 0 GIABRN Cc1ccc(OCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)c(C)c1 ZINC000224178450 206014705 /nfs/dbraw/zinc/01/47/05/206014705.db2.gz NCLBCNXBASMCBS-UHFFFAOYSA-N 0 0 388.316 4.109 40 0 GIABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccc(C)c(Cl)c1 ZINC000224151055 206015445 /nfs/dbraw/zinc/01/54/45/206015445.db2.gz HFOXJAAXMNEZOE-IBGZPJMESA-N 0 0 377.868 4.010 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000224259938 206015800 /nfs/dbraw/zinc/01/58/00/206015800.db2.gz KRUQTPUBBZEWPF-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN COc1ccc(S(=O)(=O)NCCCc2cccc(OC(C)C)c2)c(C)c1C ZINC000224231614 206016488 /nfs/dbraw/zinc/01/64/88/206016488.db2.gz OAHUSNIMUQKZSC-UHFFFAOYSA-N 0 0 391.533 4.010 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224207174 206016929 /nfs/dbraw/zinc/01/69/29/206016929.db2.gz DUHZPLJIAICECV-FQEVSTJZSA-N 0 0 380.532 4.035 40 0 GIABRN Cc1ccc2c(=O)cc(C(=O)Nc3cc(-c4ccc(F)cc4)no3)oc2c1C ZINC000027912436 206017502 /nfs/dbraw/zinc/01/75/02/206017502.db2.gz PAASSJBGCBGTHF-UHFFFAOYSA-N 0 0 378.359 4.456 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000224267751 206017703 /nfs/dbraw/zinc/01/77/03/206017703.db2.gz NSAPXPHREXACSO-QFIPXVFZSA-N 0 0 380.532 4.098 40 0 GIABRN CCCCNC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224318320 206018038 /nfs/dbraw/zinc/01/80/38/206018038.db2.gz JXIQJPQOOCBECI-UHFFFAOYSA-N 0 0 394.924 4.003 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 ZINC000223440474 206000568 /nfs/dbraw/zinc/00/05/68/206000568.db2.gz BNMKMRAZBCBYQH-NRFANRHFSA-N 0 0 398.522 4.399 40 0 GIABRN CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C ZINC000223484338 206000792 /nfs/dbraw/zinc/00/07/92/206000792.db2.gz PCDRBLUYPGATJH-NRFANRHFSA-N 0 0 384.495 4.468 40 0 GIABRN COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c1 ZINC000223494126 206001230 /nfs/dbraw/zinc/00/12/30/206001230.db2.gz ZWUYTDWAWYNBHF-AWEZNQCLSA-N 0 0 395.908 4.091 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1Cc1ccncc1 ZINC000223483820 206001899 /nfs/dbraw/zinc/00/18/99/206001899.db2.gz ZZXSUBWLVOTKPB-IAGOWNOFSA-N 0 0 386.933 4.364 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225077834 206035290 /nfs/dbraw/zinc/03/52/90/206035290.db2.gz IRTVHRIVESJOHL-RTWAWAEBSA-N 0 0 394.559 4.486 40 0 GIABRN O=C(NCCOCc1ccccc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000224337075 206019014 /nfs/dbraw/zinc/01/90/14/206019014.db2.gz ZRILODQKYBVCKM-UHFFFAOYSA-N 0 0 386.495 4.196 40 0 GIABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2C)cc1 ZINC000224330589 206019165 /nfs/dbraw/zinc/01/91/65/206019165.db2.gz JCSIJAXBTGFCNL-NHCUHLMSSA-N 0 0 376.529 4.468 40 0 GIABRN COc1ccc(/C=C(/C(=O)Nc2nnc(SC)s2)c2ccccc2)cc1 ZINC000224329087 206019544 /nfs/dbraw/zinc/01/95/44/206019544.db2.gz MYGIYEJAOVETBD-FOWTUZBSSA-N 0 0 383.498 4.448 40 0 GIABRN COC(=O)c1c(NC(=O)COc2cccc3c2CCCC3)sc2c1CCCC2 ZINC000224340053 206019686 /nfs/dbraw/zinc/01/96/86/206019686.db2.gz UKVRMDZRTOXJIR-UHFFFAOYSA-N 0 0 399.512 4.310 40 0 GIABRN CCC1(CC)C[C@H](NS(=O)(=O)c2ccc(OC)cc2)c2ccccc2O1 ZINC000224416793 206020939 /nfs/dbraw/zinc/02/09/39/206020939.db2.gz MDIVKDDTXRKGTC-SFHVURJKSA-N 0 0 375.490 4.056 40 0 GIABRN COc1ccc(C(=O)N2CCN(C)CC2)cc1CSc1ccc(Cl)cc1 ZINC000224389745 206020949 /nfs/dbraw/zinc/02/09/49/206020949.db2.gz HSOPKUZXSUPPGI-UHFFFAOYSA-N 0 0 390.936 4.029 40 0 GIABRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)[nH]c2C)c1 ZINC000224520992 206021734 /nfs/dbraw/zinc/02/17/34/206021734.db2.gz ADLJUFXOIMSTDP-UXHICEINSA-N 0 0 378.501 4.212 40 0 GIABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1cccc(OC)c1 ZINC000224474880 206021776 /nfs/dbraw/zinc/02/17/76/206021776.db2.gz DGJUIIWTQOFHCS-GOSISDBHSA-N 0 0 379.909 4.415 40 0 GIABRN CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1cc(C)cc(C)c1 ZINC000224530410 206022085 /nfs/dbraw/zinc/02/20/85/206022085.db2.gz CAGRYXRLWHGJLS-HXUWFJFHSA-N 0 0 383.488 4.190 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1c1ccc(Br)cc1 ZINC000224484679 206022439 /nfs/dbraw/zinc/02/24/39/206022439.db2.gz GLYZPBRJFYXIBL-IAGOWNOFSA-N 0 0 399.317 4.349 40 0 GIABRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C)c1C ZINC000224563094 206023192 /nfs/dbraw/zinc/02/31/92/206023192.db2.gz JRTNXSTVAQSRED-RTWAWAEBSA-N 0 0 392.528 4.223 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 ZINC000224592777 206024414 /nfs/dbraw/zinc/02/44/14/206024414.db2.gz PTJAMNAPAHVEAO-HSZRJFAPSA-N 0 0 394.559 4.426 40 0 GIABRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C)c1C ZINC000224563138 206024475 /nfs/dbraw/zinc/02/44/75/206024475.db2.gz JRTNXSTVAQSRED-LEWJYISDSA-N 0 0 392.528 4.223 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 ZINC000224665924 206025341 /nfs/dbraw/zinc/02/53/41/206025341.db2.gz MAAINBJNBSHMMJ-QHCPKHFHSA-N 0 0 394.559 4.426 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(C)cc1 ZINC000224632636 206025537 /nfs/dbraw/zinc/02/55/37/206025537.db2.gz KJQAJUVIBVFMQV-IBGZPJMESA-N 0 0 398.572 4.172 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c(Cl)c1Cl ZINC000224614461 206026026 /nfs/dbraw/zinc/02/60/26/206026026.db2.gz CVXUBYRYYPYYQJ-UHFFFAOYSA-N 0 0 380.680 4.481 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 ZINC000224659108 206026042 /nfs/dbraw/zinc/02/60/42/206026042.db2.gz UPQPZPPAJUZFGL-QHCPKHFHSA-N 0 0 394.559 4.426 40 0 GIABRN CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(CC)cc1 ZINC000224625490 206026096 /nfs/dbraw/zinc/02/60/96/206026096.db2.gz HCLUMDDNWOVIRH-HSZRJFAPSA-N 0 0 394.559 4.168 40 0 GIABRN Cc1ccccc1CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC1CCCCC1 ZINC000224677025 206026383 /nfs/dbraw/zinc/02/63/83/206026383.db2.gz ZMMFAPTVTIQREE-FQEVSTJZSA-N 0 0 392.543 4.404 40 0 GIABRN COc1cccc(CCCNC(=O)c2cc(Br)ccc2Cl)c1 ZINC000225072704 206035833 /nfs/dbraw/zinc/03/58/33/206035833.db2.gz XJHUXYAQJSAEKC-UHFFFAOYSA-N 0 0 382.685 4.474 40 0 GIABRN CCCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224793136 206027282 /nfs/dbraw/zinc/02/72/82/206027282.db2.gz QJNCXGPMCDVVPC-JOCHJYFZSA-N 0 0 380.532 4.260 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000224740805 206027371 /nfs/dbraw/zinc/02/73/71/206027371.db2.gz NCFPHXKNLGESRO-HXUWFJFHSA-N 0 0 380.532 4.098 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C ZINC000224774156 206027407 /nfs/dbraw/zinc/02/74/07/206027407.db2.gz ZEERNSGGYWLCAH-QFIPXVFZSA-N 0 0 398.522 4.256 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl ZINC000224739969 206027940 /nfs/dbraw/zinc/02/79/40/206027940.db2.gz XQIYZCPJEYQVPI-QGZVFWFLSA-N 0 0 386.923 4.134 40 0 GIABRN CCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCOCC2)ccc1Cl ZINC000224817844 206028541 /nfs/dbraw/zinc/02/85/41/206028541.db2.gz PNXZFKLOAFMTTO-UHFFFAOYSA-N 0 0 387.863 4.204 40 0 GIABRN CCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224815628 206029862 /nfs/dbraw/zinc/02/98/62/206029862.db2.gz FDHYPHXBOSHWOO-HSZRJFAPSA-N 0 0 392.543 4.404 40 0 GIABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)c1 ZINC000224955597 206031346 /nfs/dbraw/zinc/03/13/46/206031346.db2.gz SRRHNWBRDNRVNA-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN CCC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224963224 206032588 /nfs/dbraw/zinc/03/25/88/206032588.db2.gz HOEVWYRXVTZUIZ-JOCHJYFZSA-N 0 0 396.506 4.234 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000225002926 206032938 /nfs/dbraw/zinc/03/29/38/206032938.db2.gz HOFCNSZSGJOKIZ-WOJBJXKFSA-N 0 0 380.532 4.178 40 0 GIABRN CCN1CCN(C(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000224964552 206032949 /nfs/dbraw/zinc/03/29/49/206032949.db2.gz DUFAUGKPMFLHTL-UHFFFAOYSA-N 0 0 395.890 4.440 40 0 GIABRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1 ZINC000225033434 206033496 /nfs/dbraw/zinc/03/34/96/206033496.db2.gz CEDLLGMBWGMOLE-LEWJYISDSA-N 0 0 392.528 4.458 40 0 GIABRN CCOc1ccccc1NC(=O)c1ccc(C)cc1I ZINC000225010260 206033572 /nfs/dbraw/zinc/03/35/72/206033572.db2.gz ADDWPYFKVHHRDS-UHFFFAOYSA-N 0 0 381.213 4.251 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCc2cccc(OC(C)C)c2)cc1C(C)C ZINC000225043333 206033611 /nfs/dbraw/zinc/03/36/11/206033611.db2.gz NXZDBMLYHJZMQT-UHFFFAOYSA-N 0 0 391.533 4.393 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 ZINC000225043679 206034239 /nfs/dbraw/zinc/03/42/39/206034239.db2.gz PLEDZMNNKFLCDK-VQTJNVASSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSc1ccccc1 ZINC000225013701 206034260 /nfs/dbraw/zinc/03/42/60/206034260.db2.gz CEHAJNSEIKTKOP-RBUKOAKNSA-N 0 0 398.572 4.419 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1C(C)C ZINC000225052950 206034372 /nfs/dbraw/zinc/03/43/72/206034372.db2.gz LIIIBWKRBOFATI-UHFFFAOYSA-N 0 0 377.550 4.374 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1 ZINC000225049085 206034540 /nfs/dbraw/zinc/03/45/40/206034540.db2.gz RMYPTRCGCLQEBB-VQTJNVASSA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C ZINC000225053038 206034549 /nfs/dbraw/zinc/03/45/49/206034549.db2.gz XTLRKINKXHYZIN-UXHICEINSA-N 0 0 396.531 4.014 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2ccco2)N1C1CCCC1 ZINC000225011562 206034575 /nfs/dbraw/zinc/03/45/75/206034575.db2.gz JAMKMDWLNCUIBI-LEWJYISDSA-N 0 0 392.528 4.440 40 0 GIABRN COc1ccc(C)cc1NC(=O)c1ccc(C)cc1I ZINC000225013134 206034663 /nfs/dbraw/zinc/03/46/63/206034663.db2.gz OEGDMSPHEXURBW-UHFFFAOYSA-N 0 0 381.213 4.169 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1 ZINC000225091973 206035031 /nfs/dbraw/zinc/03/50/31/206035031.db2.gz YXSLLDOBDJXTTD-JOCHJYFZSA-N 0 0 396.531 4.016 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F ZINC000225092968 206036990 /nfs/dbraw/zinc/03/69/90/206036990.db2.gz SUJUDQPMFJRRRR-MSOLQXFVSA-N 0 0 384.495 4.009 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 ZINC000225094434 206037142 /nfs/dbraw/zinc/03/71/42/206037142.db2.gz UOAWSMUEMVBEPS-OALUTQOASA-N 0 0 398.572 4.419 40 0 GIABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC(C)(C)CC(C)(C)C)cc1 ZINC000225110235 206037187 /nfs/dbraw/zinc/03/71/87/206037187.db2.gz QWTRGMGEPDQOQO-RGEXLXHISA-N 0 0 398.503 4.390 40 0 GIABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCC1=CCCCC1 ZINC000225102555 206037912 /nfs/dbraw/zinc/03/79/12/206037912.db2.gz GYJKVYYOEXWCFR-ZHZULCJRSA-N 0 0 380.513 4.444 40 0 GIABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC ZINC000225122024 206037990 /nfs/dbraw/zinc/03/79/90/206037990.db2.gz SZHYTLMKWPUKGR-SFHVURJKSA-N 0 0 384.501 4.496 40 0 GIABRN CCn1c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2sc1=O ZINC000225097492 206038049 /nfs/dbraw/zinc/03/80/49/206038049.db2.gz HDDIYCRQXJADGW-UHFFFAOYSA-N 0 0 381.501 4.326 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225132527 206038965 /nfs/dbraw/zinc/03/89/65/206038965.db2.gz AKUIZUYFHQKZRK-NHCUHLMSSA-N 0 0 394.559 4.486 40 0 GIABRN C[C@H](CNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccccc1 ZINC000225139598 206039027 /nfs/dbraw/zinc/03/90/27/206039027.db2.gz PFKJLEUWGLPQEG-VKZJTJHYSA-N 0 0 390.508 4.439 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 ZINC000225164137 206039076 /nfs/dbraw/zinc/03/90/76/206039076.db2.gz RUVMXTWUZFCSLF-NRFANRHFSA-N 0 0 398.572 4.421 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C ZINC000225157557 206039366 /nfs/dbraw/zinc/03/93/66/206039366.db2.gz BDYAJOCLASSUQA-QHCPKHFHSA-N 0 0 394.559 4.488 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000225213752 206040257 /nfs/dbraw/zinc/04/02/57/206040257.db2.gz UZVINFQYSTTZOF-ROUUACIJSA-N 0 0 384.495 4.090 40 0 GIABRN COc1cccc(C(=O)N2CCS/C2=C\c2nc(-c3ccccc3F)no2)c1 ZINC000225242759 206042134 /nfs/dbraw/zinc/04/21/34/206042134.db2.gz HZUPCFDOJFSOPN-LDADJPATSA-N 0 0 397.431 4.072 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)C(C)C)c(Cl)c2)cc1 ZINC000225215741 206042604 /nfs/dbraw/zinc/04/26/04/206042604.db2.gz XUVWGUAWEFCNOX-CQSZACIVSA-N 0 0 394.924 4.224 40 0 GIABRN Cc1cc(OCC(=O)NCC2(c3ccccc3)CCOCC2)cc(C)c1Cl ZINC000225281495 206042935 /nfs/dbraw/zinc/04/29/35/206042935.db2.gz PGRAUBVGLNHTIX-UHFFFAOYSA-N 0 0 387.907 4.200 40 0 GIABRN COc1cc(C)c(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c(C)c1 ZINC000225336509 206043091 /nfs/dbraw/zinc/04/30/91/206043091.db2.gz BCRZTMJDYQGDOS-GOSISDBHSA-N 0 0 389.517 4.201 40 0 GIABRN COc1ccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000225345794 206044165 /nfs/dbraw/zinc/04/41/65/206044165.db2.gz FWJJGDHVYRODMN-NSHDSACASA-N 0 0 389.864 4.273 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)NCCSCc2ccco2)cc1Cl ZINC000225348663 206044734 /nfs/dbraw/zinc/04/47/34/206044734.db2.gz VBROPUYWOJLYLD-UHFFFAOYSA-N 0 0 398.937 4.330 40 0 GIABRN CCOc1ccccc1CCCNC(=S)Nc1ccc(N2CCCC2=O)cc1 ZINC000225397443 206046267 /nfs/dbraw/zinc/04/62/67/206046267.db2.gz QLJJSQSEBUHDJF-UHFFFAOYSA-N 0 0 397.544 4.131 40 0 GIABRN COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1C ZINC000225426597 206047589 /nfs/dbraw/zinc/04/75/89/206047589.db2.gz VJMAMOCZDMDPER-HNNXBMFYSA-N 0 0 389.517 4.119 40 0 GIABRN CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)Cc1ccccc1Cl ZINC000225443443 206049076 /nfs/dbraw/zinc/04/90/76/206049076.db2.gz XKUFTSRMKAADFG-UHFFFAOYSA-N 0 0 376.243 4.245 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225457486 206049446 /nfs/dbraw/zinc/04/94/46/206049446.db2.gz XMEITLIVSMROEG-NHCUHLMSSA-N 0 0 394.559 4.220 40 0 GIABRN COC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(OC)cc2)ccc1Cl ZINC000225464620 206050016 /nfs/dbraw/zinc/05/00/16/206050016.db2.gz WGXABQJGQWPANW-NSHDSACASA-N 0 0 378.881 4.183 40 0 GIABRN CCOc1ccccc1CNC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000225443845 206050300 /nfs/dbraw/zinc/05/03/00/206050300.db2.gz IIGHXGOTXXTQQS-UHFFFAOYSA-N 0 0 397.544 4.198 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 ZINC000225488927 206050934 /nfs/dbraw/zinc/05/09/34/206050934.db2.gz PBDJVIRAKFSZOB-KNQAVFIVSA-N 0 0 396.531 4.096 40 0 GIABRN CCCOC(=O)c1cc(N)ccc1Nc1ccc(I)cc1 ZINC000225471994 206051118 /nfs/dbraw/zinc/05/11/18/206051118.db2.gz TZKVAIYUJUXFMH-UHFFFAOYSA-N 0 0 396.228 4.184 40 0 GIABRN Cc1ccccc1CN(C(=O)CSCc1ccccc1)[C@H](C)C(=O)NC(C)C ZINC000225477562 206052015 /nfs/dbraw/zinc/05/20/15/206052015.db2.gz LZAKIRHIHGSKNT-LJQANCHMSA-N 0 0 398.572 4.170 40 0 GIABRN CCOc1ccc(C(=O)NCC2(c3cccc(C)c3)CCOCC2)cc1OCC ZINC000225067689 206036426 /nfs/dbraw/zinc/03/64/26/206036426.db2.gz FWNIMCXTNJPUKP-UHFFFAOYSA-N 0 0 397.515 4.271 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225719602 206069278 /nfs/dbraw/zinc/06/92/78/206069278.db2.gz RLUCRGNHKCXJBS-QFIPXVFZSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@@H](NC(=S)Nc1cc(C)cc(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000225722153 206069740 /nfs/dbraw/zinc/06/97/40/206069740.db2.gz WNMROFNWOYNGSM-GOSISDBHSA-N 0 0 376.547 4.145 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000225711878 206069848 /nfs/dbraw/zinc/06/98/48/206069848.db2.gz DXHKIXHPISJUJQ-HXUWFJFHSA-N 0 0 386.923 4.215 40 0 GIABRN O=C(Cn1ccc(=O)c2ccc(Cl)cc21)N1CCC(Cc2ccccc2)CC1 ZINC000225735757 206070714 /nfs/dbraw/zinc/07/07/14/206070714.db2.gz KQHLCPFJEVGMFD-UHFFFAOYSA-N 0 0 394.902 4.136 40 0 GIABRN O=C(Cn1ccc(=O)c2cc(Cl)ccc21)Nc1ccc(C(F)(F)F)cc1 ZINC000225723247 206071666 /nfs/dbraw/zinc/07/16/66/206071666.db2.gz VIMHLWCOEWUASY-UHFFFAOYSA-N 0 0 380.753 4.312 40 0 GIABRN O=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1ccccc1Br ZINC000225733931 206071671 /nfs/dbraw/zinc/07/16/71/206071671.db2.gz JSPYNLNKRJEUOY-UHFFFAOYSA-N 0 0 391.652 4.056 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1F ZINC000225526797 206055575 /nfs/dbraw/zinc/05/55/75/206055575.db2.gz UXRKXSMGVFDYQI-PGRDOPGGSA-N 0 0 398.522 4.399 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225527536 206055730 /nfs/dbraw/zinc/05/57/30/206055730.db2.gz YZTQZNODZHPDGJ-HXUWFJFHSA-N 0 0 380.532 4.178 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)NCCCc2ccc(OC)cc2)c1 ZINC000225557032 206056542 /nfs/dbraw/zinc/05/65/42/206056542.db2.gz ZILNWECQOFIJMD-UHFFFAOYSA-N 0 0 392.908 4.054 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 ZINC000225555024 206057356 /nfs/dbraw/zinc/05/73/56/206057356.db2.gz OKSGSZKORGSLRZ-AVRDEDQJSA-N 0 0 398.522 4.399 40 0 GIABRN CC1(C)C[C@H](NC(=S)Nc2ccc(N3CCCC3=O)cc2)c2ccccc2O1 ZINC000225578235 206059345 /nfs/dbraw/zinc/05/93/45/206059345.db2.gz DTPFIQKQDFNJNO-SFHVURJKSA-N 0 0 395.528 4.402 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225586405 206059487 /nfs/dbraw/zinc/05/94/87/206059487.db2.gz JHLLPCDRAIUCTC-GOSISDBHSA-N 0 0 384.495 4.009 40 0 GIABRN CCC1(CC)C[C@H](NS(=O)(=O)c2ccc(F)c(C)c2)c2ccccc2O1 ZINC000225601450 206060103 /nfs/dbraw/zinc/06/01/03/206060103.db2.gz XQOKISQFNPLWPC-SFHVURJKSA-N 0 0 377.481 4.495 40 0 GIABRN CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc(F)c(C)c2)c2ccccc2O1 ZINC000225601422 206060542 /nfs/dbraw/zinc/06/05/42/206060542.db2.gz XQOKISQFNPLWPC-GOSISDBHSA-N 0 0 377.481 4.495 40 0 GIABRN Cc1ccc(NC(=S)NCCCOC2CCCCC2)cc1N1CCCC1=O ZINC000225618486 206061026 /nfs/dbraw/zinc/06/10/26/206061026.db2.gz PNOYFDZVLWQFKJ-UHFFFAOYSA-N 0 0 389.565 4.148 40 0 GIABRN CCOc1ccc(CNC(=O)Cc2cccc(Br)c2)cc1OCC ZINC000225620104 206061454 /nfs/dbraw/zinc/06/14/54/206061454.db2.gz GJQCPBKJAMYVHE-UHFFFAOYSA-N 0 0 392.293 4.105 40 0 GIABRN Cc1ccc(CSCCNC(=O)Cc2cccc(Br)c2)cc1 ZINC000225612725 206061534 /nfs/dbraw/zinc/06/15/34/206061534.db2.gz LQGLNYWOHNWPAV-UHFFFAOYSA-N 0 0 378.335 4.350 40 0 GIABRN Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 ZINC000225638249 206062058 /nfs/dbraw/zinc/06/20/58/206062058.db2.gz DTRQESBZCSHABD-KRWDZBQOSA-N 0 0 397.544 4.184 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)N[C@H](C)COc2ccccc2C)c1C ZINC000225636625 206062766 /nfs/dbraw/zinc/06/27/66/206062766.db2.gz COGLRAIUCLGMOT-OAHLLOKOSA-N 0 0 386.517 4.234 40 0 GIABRN Cc1ccc(OC[C@H](C)NC(=O)Cc2cccc(Br)c2)cc1C ZINC000225623303 206062787 /nfs/dbraw/zinc/06/27/87/206062787.db2.gz QMNIKIWKHZFUQI-HNNXBMFYSA-N 0 0 376.294 4.192 40 0 GIABRN Cc1cccc(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)c1C ZINC000225738681 206072260 /nfs/dbraw/zinc/07/22/60/206072260.db2.gz ZQTTWUGIFCZNIH-UHFFFAOYSA-N 0 0 385.261 4.020 40 0 GIABRN O=C(Cn1ccc(=O)c2cc(F)ccc21)NC(c1ccccc1)c1ccccc1 ZINC000225752810 206073350 /nfs/dbraw/zinc/07/33/50/206073350.db2.gz UQWSJTQXMUMSJO-UHFFFAOYSA-N 0 0 386.426 4.046 40 0 GIABRN Cc1ccc(-c2nnsc2C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000225775714 206076010 /nfs/dbraw/zinc/07/60/10/206076010.db2.gz HKJCOAHNAPKAJA-UHFFFAOYSA-N 0 0 398.919 4.129 40 0 GIABRN COC(=O)c1cc(NC(=S)NCCOc2ccccc2Cl)ccc1Cl ZINC000225780305 206076366 /nfs/dbraw/zinc/07/63/66/206076366.db2.gz IZUSHYWNIDYGQK-UHFFFAOYSA-N 0 0 399.299 4.145 40 0 GIABRN O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCc2ccccc21 ZINC000225806269 206076878 /nfs/dbraw/zinc/07/68/78/206076878.db2.gz RGIKTWBTQMMZQV-UHFFFAOYSA-N 0 0 387.361 4.277 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@@](C)(CC(C)C)OC)ccc1O[C@@H](C)CC ZINC000225793015 206076943 /nfs/dbraw/zinc/07/69/43/206076943.db2.gz YTBYVQWWIMDVOW-YCRPNKLZSA-N 0 0 379.497 4.430 40 0 GIABRN CC[C@@H](C)Oc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C(=O)OC ZINC000225807537 206077536 /nfs/dbraw/zinc/07/75/36/206077536.db2.gz KZWIPDTVVDPCMH-VTJXTGGHSA-N 0 0 377.481 4.184 40 0 GIABRN O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1cccc2ccccc21 ZINC000225798156 206077552 /nfs/dbraw/zinc/07/75/52/206077552.db2.gz IYAYTKRDQCAXHT-UHFFFAOYSA-N 0 0 375.403 4.278 40 0 GIABRN O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1ccc(F)cc1 ZINC000225803474 206078224 /nfs/dbraw/zinc/07/82/24/206078224.db2.gz RLTKQLOTBKSLKH-UHFFFAOYSA-N 0 0 379.313 4.466 40 0 GIABRN Cc1ccc(OC[C@@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)cc1C ZINC000225814855 206078515 /nfs/dbraw/zinc/07/85/15/206078515.db2.gz HOYNDYOFTRHNHS-OAHLLOKOSA-N 0 0 381.394 4.285 40 0 GIABRN Cc1ccc(-c2noc(CNC(=S)Nc3cccc(OC(C)C)c3)n2)cc1 ZINC000225817863 206078740 /nfs/dbraw/zinc/07/87/40/206078740.db2.gz RQDXKHWNJQQMBX-UHFFFAOYSA-N 0 0 382.489 4.319 40 0 GIABRN COc1ccc(NC(=S)NCc2nc(-c3ccc(C)cc3)no2)cc1Cl ZINC000225816330 206078777 /nfs/dbraw/zinc/07/87/77/206078777.db2.gz IYFAVNWCPGFCNM-UHFFFAOYSA-N 0 0 388.880 4.194 40 0 GIABRN O=C(c1ccccc1)N1CCC2(CC1)CC(=O)c1ccc(C(F)(F)F)cc1O2 ZINC000225822304 206078903 /nfs/dbraw/zinc/07/89/03/206078903.db2.gz UCXMEDNPHDMUOK-UHFFFAOYSA-N 0 0 389.373 4.346 40 0 GIABRN CC(C)Sc1nnc(NC(=O)COc2cccc(C(F)(F)F)c2)s1 ZINC000225815532 206079664 /nfs/dbraw/zinc/07/96/64/206079664.db2.gz BQEARRAWJITNFR-UHFFFAOYSA-N 0 0 377.413 4.075 40 0 GIABRN Fc1ccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)c(F)c1 ZINC000225819118 206079719 /nfs/dbraw/zinc/07/97/19/206079719.db2.gz KVVKSPGVRKOVHJ-UHFFFAOYSA-N 0 0 380.807 4.155 40 0 GIABRN CCCOC1(C(=O)Nc2ccc(OC(C)C)c(C(=O)OCC)c2)CCCC1 ZINC000225849724 206080256 /nfs/dbraw/zinc/08/02/56/206080256.db2.gz SXUNKDRJCVDVOM-UHFFFAOYSA-N 0 0 377.481 4.328 40 0 GIABRN CCO[C@@]1(C(=O)Nc2ccc(OC(C)C)c(C(=O)OC)c2)CCC[C@H](C)C1 ZINC000225831440 206080614 /nfs/dbraw/zinc/08/06/14/206080614.db2.gz SEBNQZKMUFLESD-BTYIYWSLSA-N 0 0 377.481 4.184 40 0 GIABRN COc1ccccc1CNC(=O)CCc1nc(-c2cccc3ccccc32)no1 ZINC000225829806 206081273 /nfs/dbraw/zinc/08/12/73/206081273.db2.gz AGNZLFHPWWUDRH-UHFFFAOYSA-N 0 0 387.439 4.147 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@](C)(OCC)C2CC2)ccc1O[C@H](C)CC ZINC000225836117 206081295 /nfs/dbraw/zinc/08/12/95/206081295.db2.gz PUBQDOZUQUARQV-SPLOXXLWSA-N 0 0 377.481 4.184 40 0 GIABRN Cc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cc1N1CCCC1=O ZINC000225870120 206081918 /nfs/dbraw/zinc/08/19/18/206081918.db2.gz MNOGUOXPTRUXOI-UHFFFAOYSA-N 0 0 394.544 4.273 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)NC2(c3ccccn3)CCCC2)c1 ZINC000225861910 206082871 /nfs/dbraw/zinc/08/28/71/206082871.db2.gz PXGNVGSBCDEENL-UHFFFAOYSA-N 0 0 389.908 4.278 40 0 GIABRN COc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)c2cccnc12 ZINC000225877403 206083016 /nfs/dbraw/zinc/08/30/16/206083016.db2.gz HQSCCQFUJSMYSA-UHFFFAOYSA-N 0 0 378.501 4.394 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc2c(c1)CCCC2 ZINC000225884399 206083810 /nfs/dbraw/zinc/08/38/10/206083810.db2.gz WAWPJIROUXDLOV-UHFFFAOYSA-N 0 0 397.500 4.104 40 0 GIABRN Fc1ccc(CNC(=S)Nc2nc(Cl)cc(N3CCCCCC3)n2)cc1 ZINC000225951125 206085010 /nfs/dbraw/zinc/08/50/10/206085010.db2.gz AZGMYMLFAMFTEA-UHFFFAOYSA-N 0 0 393.919 4.136 40 0 GIABRN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1C(=O)N1CCCC1 ZINC000225959773 206086212 /nfs/dbraw/zinc/08/62/12/206086212.db2.gz AKDPJLCRUOWJJV-UHFFFAOYSA-N 0 0 398.890 4.255 40 0 GIABRN Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc(NC(=S)NCCCc2ccccc2)n1 ZINC000225966345 206086555 /nfs/dbraw/zinc/08/65/55/206086555.db2.gz CRIONQFZWDHJGO-IRXDYDNUSA-N 0 0 397.592 4.187 40 0 GIABRN COc1c(Br)cc(Br)cc1C(=O)N1CCC(C)CC1 ZINC000059843527 206101522 /nfs/dbraw/zinc/10/15/22/206101522.db2.gz BVDGNBHRDDPEAC-UHFFFAOYSA-N 0 0 391.103 4.092 40 0 GIABRN O=C1[C@@H]2C[C@@H](CN2Cc2cnc3ccccc3c2)Oc2ccccc2N1CC1CC1 ZINC000096111800 206116400 /nfs/dbraw/zinc/11/64/00/206116400.db2.gz UOBRBTKLTXJYDG-REWPJTCUSA-N 0 0 399.494 4.013 40 0 biogenic,in-vitro GIABRN O=S(=O)(Nc1cc(C(F)(F)F)ccc1F)c1ccc(Br)cc1 ZINC000014254791 206125572 /nfs/dbraw/zinc/12/55/72/206125572.db2.gz OSXQWIHMYNAPJS-UHFFFAOYSA-N 0 0 398.175 4.408 40 0 GIABRN Cc1nc(CO[C@H]2CCOC3(CN(Cc4ccccc4Cl)C3)C2)cs1 ZINC000247997366 206136928 /nfs/dbraw/zinc/13/69/28/206136928.db2.gz AMZYDTXRZJFKNR-KRWDZBQOSA-N 0 0 378.925 4.055 40 0 GIABRN Clc1ccccc1Cc1cccc([C@@H]2CN(Cc3ccccn3)CCO2)n1 ZINC000257202684 206156882 /nfs/dbraw/zinc/15/68/82/206156882.db2.gz AMWHSMHXWTYGBS-QFIPXVFZSA-N 0 0 379.891 4.294 40 0 GIABRN Cc1noc([C@@]2(C)CCC[N@H+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)C2)n1 ZINC000257202092 206157198 /nfs/dbraw/zinc/15/71/98/206157198.db2.gz AKKBJMCFYPXUBF-QHCPKHFHSA-N 0 0 391.471 4.297 40 0 GIABRN Cc1ncsc1C(=O)N1CCC(c2cc(-c3c(C)noc3C)ccn2)CC1 ZINC000257200990 206158265 /nfs/dbraw/zinc/15/82/65/206158265.db2.gz AFRQDBROZZPGPL-UHFFFAOYSA-N 0 0 382.489 4.138 40 0 GIABRN Cc1cnc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)cn1 ZINC000257209627 206159978 /nfs/dbraw/zinc/15/99/78/206159978.db2.gz BRESKWZAGSZFLG-MRXNPFEDSA-N 0 0 396.878 4.037 40 0 GIABRN COc1ccccc1Cc1cnc([C@H]2CCCN2C(=O)c2ccccc2F)o1 ZINC000257217913 206161063 /nfs/dbraw/zinc/16/10/63/206161063.db2.gz DBCDOPGARSZPIA-LJQANCHMSA-N 0 0 380.419 4.390 40 0 GIABRN CCCCc1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)[nH]n1 ZINC000257219045 206161319 /nfs/dbraw/zinc/16/13/19/206161319.db2.gz DFKWBAZTXBBGHU-GOSISDBHSA-N 0 0 392.503 4.351 40 0 GIABRN COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2ncccc2C)o1 ZINC000257216804 206161663 /nfs/dbraw/zinc/16/16/63/206161663.db2.gz CWDGVJAXRIMPOV-IBGZPJMESA-N 0 0 391.471 4.345 40 0 GIABRN Cc1ccc(Nc2nccc(C3CCN(C(=O)C4CCCCC4)CC3)n2)nc1 ZINC000257220256 206161850 /nfs/dbraw/zinc/16/18/50/206161850.db2.gz DKESPWWSZYVICK-UHFFFAOYSA-N 0 0 379.508 4.210 40 0 GIABRN CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OC)c4OC)OCC[C@@]31C2 ZINC000257274194 206171311 /nfs/dbraw/zinc/17/13/11/206171311.db2.gz NJXOSBBYYPJNSU-HDBKPMCMSA-N 0 0 387.520 4.112 40 0 GIABRN O=C(COc1ccccc1)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257273354 206171588 /nfs/dbraw/zinc/17/15/88/206171588.db2.gz NGESNLPQHABCHX-FQEVSTJZSA-N 0 0 380.419 4.147 40 0 GIABRN COC(C)(C)C(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257279155 206171609 /nfs/dbraw/zinc/17/16/09/206171609.db2.gz OFFOLOIVRIXNOX-HNNXBMFYSA-N 0 0 376.884 4.050 40 0 GIABRN CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(-n5cccn5)cc4)OCC[C@]13C2 ZINC000257288573 206172417 /nfs/dbraw/zinc/17/24/17/206172417.db2.gz PUURDHZMHQGTKR-CXAIKNRHSA-N 0 0 393.531 4.281 40 0 GIABRN O=C(c1ccccc1)N1CCO[C@@H](c2cccc(Cc3c(F)cccc3F)n2)C1 ZINC000257284334 206173346 /nfs/dbraw/zinc/17/33/46/206173346.db2.gz PCGMUEMPXMGTFP-JOCHJYFZSA-N 0 0 394.421 4.164 40 0 GIABRN CC1(C)[C@@H]2C[C@@H]3[C@@H](c4cccc5ccccc54)OCC[C@]3(C2)[C@H]1NC(=O)CCO ZINC000257291581 206173419 /nfs/dbraw/zinc/17/34/19/206173419.db2.gz QHPXFKWASYGHSG-ZGDIDTHXSA-N 0 0 393.527 4.221 40 0 GIABRN CC(C)(C)OC(=O)N1CCC[C@H]2O[C@H]3c4ccc(O)cc4OC(C)(C)[C@@H]3C[C@H]21 ZINC000257314528 206178267 /nfs/dbraw/zinc/17/82/67/206178267.db2.gz UXJWWWHAYCLMJD-MTNOOBJLSA-N 0 0 389.492 4.409 40 0 GIABRN COc1cccc2c1OC1(CCN(Cc3cscn3)CC1)[C@H]1CCCO[C@H]21 ZINC000257298524 206174941 /nfs/dbraw/zinc/17/49/41/206174941.db2.gz RMCHWWDQYQXWII-PKOBYXMFSA-N 0 0 386.517 4.047 40 0 GIABRN COCCC(=O)N[C@]1(C)C[C@H](c2cc(Cl)ccc2O)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257299526 206175330 /nfs/dbraw/zinc/17/53/30/206175330.db2.gz RQKQAOWTUFPVSJ-UFXVLNHOSA-N 0 0 395.927 4.223 40 0 GIABRN COC(C)(C)C(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257227162 206162411 /nfs/dbraw/zinc/16/24/11/206162411.db2.gz FNYVNIRUFBSZIA-KRWDZBQOSA-N 0 0 376.884 4.397 40 0 GIABRN CCCCc1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)[nH]n1 ZINC000257230452 206163135 /nfs/dbraw/zinc/16/31/35/206163135.db2.gz GCKXHKIAXNKFCF-FQEVSTJZSA-N 0 0 396.466 4.448 40 0 GIABRN COc1ncccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 ZINC000257240687 206165256 /nfs/dbraw/zinc/16/52/56/206165256.db2.gz HURVEXUMYWOBAT-IBGZPJMESA-N 0 0 377.444 4.036 40 0 GIABRN O=C(COc1cccc(F)c1)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257245880 206166603 /nfs/dbraw/zinc/16/66/03/206166603.db2.gz IRMIZONALJXAHJ-FQEVSTJZSA-N 0 0 398.409 4.286 40 0 GIABRN COc1cc([C@H]2C[C@@H](NC(=O)C(C)C)[C@@H]3CCC[C@H]3O2)ccc1OC(F)F ZINC000257246193 206166948 /nfs/dbraw/zinc/16/69/48/206166948.db2.gz ISZITQFIKPBCJN-KLZNWCGWSA-N 0 0 383.435 4.068 40 0 GIABRN CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4)OCC[C@]3(C2)[C@H]1NC(=O)c1ccccn1 ZINC000257258696 206167809 /nfs/dbraw/zinc/16/78/09/206167809.db2.gz KVCSBAMEZVNYOT-PTAIDSQPSA-N 0 0 376.500 4.394 40 0 GIABRN Cc1noc(C)c1-c1cnc(CC[C@@H]2CCCN2C(=O)c2ccc(F)cc2)cn1 ZINC000257255480 206167932 /nfs/dbraw/zinc/16/79/32/206167932.db2.gz KHQQPSHTESIQHG-IBGZPJMESA-N 0 0 394.450 4.125 40 0 GIABRN CC(C)C[C@]1(O)CCN(C(=O)c2cccc(Cl)c2)C[C@@H]1Oc1ccccc1 ZINC000257272579 206169699 /nfs/dbraw/zinc/16/96/99/206169699.db2.gz NCYAZLVBJFYEGF-RBBKRZOGSA-N 0 0 387.907 4.411 40 0 GIABRN CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@H+](Cc4ccccc4C(=O)[O-])[C@H]3C[C@H]21 ZINC000257274001 206170788 /nfs/dbraw/zinc/17/07/88/206170788.db2.gz NJDHMRQMPLFMKK-KIZRIRGWSA-N 0 0 393.483 4.277 40 0 GIABRN C[C@@H](CCc1ccccc1)Nc1cc(-c2cc(C(C)(C)C)nn2C)nc(N)n1 ZINC000257335613 206181941 /nfs/dbraw/zinc/18/19/41/206181941.db2.gz YLBNPZVZYYUYNW-HNNXBMFYSA-N 0 0 378.524 4.190 40 0 GIABRN Cc1noc(C)c1-c1cccc(C2CCN(C(=O)c3ncccc3C)CC2)n1 ZINC000257317487 206178489 /nfs/dbraw/zinc/17/84/89/206178489.db2.gz VJXXCJOBDCJBJZ-UHFFFAOYSA-N 0 0 376.460 4.077 40 0 GIABRN Cc1cncnc1[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000257312734 206178502 /nfs/dbraw/zinc/17/85/02/206178502.db2.gz UPHXDJFVQMGWAI-LJQANCHMSA-N 0 0 377.444 4.470 40 0 GIABRN COc1ccc(O)c([C@H]2C[C@](C)(NC(=O)C(C)C)[C@@H]3CC[C@@H](C)C[C@H]3O2)c1 ZINC000257325647 206179602 /nfs/dbraw/zinc/17/96/02/206179602.db2.gz WTUNREIOKHSXCS-ZQAUXDFRSA-N 0 0 375.509 4.198 40 0 GIABRN COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)c(Cl)cc1O ZINC000257332541 206180732 /nfs/dbraw/zinc/18/07/32/206180732.db2.gz XXTYGEXYVOORAS-YCJPRTSOSA-N 0 0 393.911 4.073 40 0 GIABRN CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(OCC)c(OCC)c2)c1 ZINC000000936354 206210784 /nfs/dbraw/zinc/21/07/84/206210784.db2.gz IHLMIXUITOOLBC-ACCUITESSA-N 0 0 383.444 4.313 40 0 GIABRN Cc1cc(OCCCC(=O)Nc2nnc([C@@H]3CCCO3)s2)cc(C)c1Cl ZINC000001787164 206211382 /nfs/dbraw/zinc/21/13/82/206211382.db2.gz ZWJFDBNQDPALHD-AWEZNQCLSA-N 0 0 395.912 4.458 40 0 GIABRN CN1CCN(Cc2cccs2)C[C@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306131639 206202163 /nfs/dbraw/zinc/20/21/63/206202163.db2.gz KKVBCBBWTNXXKJ-IBGZPJMESA-N 0 0 395.557 4.008 40 0 GIABRN CN1CCN(Cc2ccsc2)C[C@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306136741 206203185 /nfs/dbraw/zinc/20/31/85/206203185.db2.gz QBQTZZGSDQYXLZ-IBGZPJMESA-N 0 0 395.557 4.008 40 0 GIABRN COc1ccc(S(=O)(=O)N(Cc2cccc(C)c2)c2ccccc2OC)cc1 ZINC000408622220 533042334 /nfs/dbraw/zinc/04/23/34/533042334.db2.gz BJTPTWMCAZMZAR-UHFFFAOYSA-N 0 0 397.496 4.408 40 0 GIABRN COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(CC2CCCCC2)C1=O ZINC000409126822 533049138 /nfs/dbraw/zinc/04/91/38/533049138.db2.gz GFLOVFKYRQUJDT-VCHYOVAHSA-N 0 0 391.489 4.329 40 0 GIABRN COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C)[N+](=O)[O-])cc1 ZINC000408531024 533353052 /nfs/dbraw/zinc/35/30/52/533353052.db2.gz GICLDFCAPPZKLY-PKNBQFBNSA-N 0 0 392.205 4.314 40 0 GIABRN COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc2c1OCO2 ZINC000409124971 533473072 /nfs/dbraw/zinc/47/30/72/533473072.db2.gz CTUZDTLZBCOYJV-LDADJPATSA-N 0 0 397.452 4.093 40 0 GIABRN COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(OC)c1O ZINC000409141440 533473177 /nfs/dbraw/zinc/47/31/77/533473177.db2.gz HYLBSDYCZZOQAZ-MHWRWJLKSA-N 0 0 377.462 4.026 40 0 GIABRN COc1ccccc1N1CCN(C(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)CC1 ZINC000045585054 132423817 /nfs/dbraw/zinc/42/38/17/132423817.db2.gz QQKNZHJFJUYYAO-IBGZPJMESA-N 0 0 396.531 4.243 40 0 GIABRN Cc1nc([C@@H]2CCCN(c3ccc(Cl)cc3)C2)ncc1C(=O)N1CCCCC1 ZINC000072346323 136168860 /nfs/dbraw/zinc/16/88/60/136168860.db2.gz YHGIZXGVXGJAKV-QGZVFWFLSA-N 0 0 398.938 4.449 40 0 GIABRN Cc1nc([C@@H]2CCCN2C(=O)C(C)C)nc2c1CCCN2Cc1ccc(F)cc1 ZINC000072373798 136169206 /nfs/dbraw/zinc/16/92/06/136169206.db2.gz BEQGHKPUBUCYFV-FQEVSTJZSA-N 0 0 396.510 4.196 40 0 GIABRN O=C1[C@H](C2CCN(c3cccnc3)CC2)CC=CCN1Cc1ccc(F)cc1 ZINC000072380030 136169236 /nfs/dbraw/zinc/16/92/36/136169236.db2.gz KXXIWPJTMKIDGQ-QFIPXVFZSA-N 0 0 379.479 4.042 40 0 GIABRN CCCCOc1ccc(NC(=O)[C@H]2CCCN(c3nc(C)cc(C)n3)C2)cc1 ZINC000004967851 136194336 /nfs/dbraw/zinc/19/43/36/136194336.db2.gz AZFKDXGSEDDKRB-SFHVURJKSA-N 0 0 382.508 4.127 40 0 GIABRN COc1ccccc1-c1ccc(N2CCC(C(C)=O)(c3ccccc3)CC2)nn1 ZINC000004967002 136194378 /nfs/dbraw/zinc/19/43/78/136194378.db2.gz QIMPGROKONVTTH-UHFFFAOYSA-N 0 0 387.483 4.279 40 0 GIABRN COc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1COC(C)C ZINC000224432167 136207073 /nfs/dbraw/zinc/20/70/73/136207073.db2.gz YPEDGXIPWXGZJX-UHFFFAOYSA-N 0 0 396.531 4.199 40 0 GIABRN Cc1ccc(C)c(NC(=O)c2ccc(N3C(=O)[C@H]4CC=C(C)C[C@@H]4C3=O)cc2)c1 ZINC000408679086 533685171 /nfs/dbraw/zinc/68/51/71/533685171.db2.gz GDKCSEVZNLMGDG-PMACEKPBSA-N 0 0 388.467 4.401 40 0 GIABRN COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)Nc1c(C)n[nH]c1C ZINC000014404675 533838508 /nfs/dbraw/zinc/83/85/08/533838508.db2.gz HPLSSUNMKZOYJP-UHFFFAOYSA-N 0 0 398.850 4.193 40 0 GIABRN COc1cc(CNc2cc(C)ccc2C)cc(I)c1O ZINC000409109822 533911788 /nfs/dbraw/zinc/91/17/88/533911788.db2.gz MBHGRALPWKFXES-UHFFFAOYSA-N 0 0 383.229 4.234 40 0 GIABRN Cc1cc(C)cc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)c1 ZINC000408670615 534082614 /nfs/dbraw/zinc/08/26/14/534082614.db2.gz IRCAHNQMDNYJAC-MAODMQOUSA-N 0 0 388.467 4.257 40 0 GIABRN Cc1ccc(NC(=O)CNC(=O)c2ccc(COc3ccccc3C)o2)cc1C ZINC000408564491 534175181 /nfs/dbraw/zinc/17/51/81/534175181.db2.gz YTRQVYBYSWCESF-UHFFFAOYSA-N 0 0 392.455 4.152 40 0 GIABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCc2ccccc2)cc1 ZINC000408680039 534184283 /nfs/dbraw/zinc/18/42/83/534184283.db2.gz XZAWVISOYQYGOL-UHFFFAOYSA-N 0 0 382.463 4.456 40 0 GIABRN COc1ccc(NCc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000409119091 534186430 /nfs/dbraw/zinc/18/64/30/534186430.db2.gz VTEYFIMKZCRLSO-UHFFFAOYSA-N 0 0 383.469 4.383 40 0 GIABRN COc1ccc(OC)c(C(=O)CCC(=O)Nc2ccc(Br)cc2)c1 ZINC000408830420 534225524 /nfs/dbraw/zinc/22/55/24/534225524.db2.gz YIFJDVIDMDGYRE-UHFFFAOYSA-N 0 0 392.249 4.068 40 0 GIABRN Cc1ccc(-n2cccc2/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc1C ZINC000409391185 534239876 /nfs/dbraw/zinc/23/98/76/534239876.db2.gz HWEAXMJTIICXBQ-XKZIYDEJSA-N 0 0 399.519 4.481 40 0 GIABRN O=C(Oc1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1)c1ccccc1 ZINC000059959042 534567854 /nfs/dbraw/zinc/56/78/54/534567854.db2.gz VJUZKYDXUMZELA-ZHZULCJRSA-N 0 0 387.366 4.389 40 0 GIABRN O=C1Nc2ccccc2/C1=C1/SC(=O)N(Cc2cccc3ccccc32)C1=O ZINC000409193861 534803051 /nfs/dbraw/zinc/80/30/51/534803051.db2.gz GGDQJWOPRFGPSK-HNENSFHCSA-N 0 0 386.432 4.399 40 0 GIABRN O=C(Nc1ccc2c(c1)CCC2)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000408707508 534839207 /nfs/dbraw/zinc/83/92/07/534839207.db2.gz JXYGMDSPPMOXIE-HNNXBMFYSA-N 0 0 388.389 4.186 40 0 GIABRN O=Cc1cn(CC(=O)NC2CCCCCC2)c2ccc(Br)cc12 ZINC000059109393 534855553 /nfs/dbraw/zinc/85/55/53/534855553.db2.gz PGYRFJNVWBUEOM-UHFFFAOYSA-N 0 0 377.282 4.055 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2C)cc1 ZINC000013670677 525597683 /nfs/dbraw/zinc/59/76/83/525597683.db2.gz SJMNPVYAPFNMGS-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN Cc1cc2cc3c(cc2nc1SCC(=O)c1ccc2c(c1)OCCO2)OCO3 ZINC000000930048 525649133 /nfs/dbraw/zinc/64/91/33/525649133.db2.gz ZXOWYNJVELPGJV-UHFFFAOYSA-N 0 0 395.436 4.018 40 0 GIABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)O)[C@@]4(C)CC(=O)[C@@H]32)C1 ZINC000123201215 527117254 /nfs/dbraw/zinc/11/72/54/527117254.db2.gz KWOUHQLFAVONNL-SCZSTLIWSA-N 0 0 376.537 4.137 40 0 GIABRN CCC1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000408708930 527853188 /nfs/dbraw/zinc/85/31/88/527853188.db2.gz VKVLPHVWJBIZQM-NPCAHTBFSA-N 0 0 382.426 4.143 40 0 GIABRN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(C(=O)Oc3ccccc3)c1)C2=O ZINC000408721776 527895896 /nfs/dbraw/zinc/89/58/96/527895896.db2.gz LTILBYKXYDLWEI-FDDCHVKYSA-N 0 0 377.440 4.222 40 0 GIABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000408559674 528047583 /nfs/dbraw/zinc/04/75/83/528047583.db2.gz AVVPHBKTYQTZFD-UHFFFAOYSA-N 0 0 389.521 4.485 40 0 GIABRN CCN(CC)C(=O)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 ZINC000408975641 528076498 /nfs/dbraw/zinc/07/64/98/528076498.db2.gz BRWBVMYWKZNCMZ-UHFFFAOYSA-N 0 0 383.455 4.236 40 0 GIABRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(O)c3)C2=O)cc1 ZINC000409329818 528111390 /nfs/dbraw/zinc/11/13/90/528111390.db2.gz GYNOJTOGHIDLGT-WOJGMQOQSA-N 0 0 396.468 4.191 40 0 GIABRN CCCCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)COc2ccc(C)c(C)c2)N1 ZINC000408956305 528113846 /nfs/dbraw/zinc/11/38/46/528113846.db2.gz QNDXZNGQGIBIFN-GOSISDBHSA-N 0 0 386.414 4.102 40 0 GIABRN CCCCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccc(N(C)C)cc2)N1 ZINC000408958664 528116623 /nfs/dbraw/zinc/11/66/23/528116623.db2.gz ZUFUTOIBBUDQEX-SFHVURJKSA-N 0 0 385.430 4.176 40 0 GIABRN CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc(C)cc3)c(OCC)c2)C1=O ZINC000409245425 528175152 /nfs/dbraw/zinc/17/51/52/528175152.db2.gz SRXIWDPCBCXQBI-CPNJWEJPSA-N 0 0 394.471 4.275 40 0 GIABRN CCOc1ccc(-n2c(Sc3ccccn3)nnc2-c2ccncc2)cc1 ZINC000409100444 528359910 /nfs/dbraw/zinc/35/99/10/528359910.db2.gz NIUVIKRYYUBOTH-UHFFFAOYSA-N 0 0 375.457 4.274 40 0 GIABRN CCOc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c2ccccc12 ZINC000409086196 528369888 /nfs/dbraw/zinc/36/98/88/528369888.db2.gz GJTFFMRMJCMAIK-WOJGMQOQSA-N 0 0 399.468 4.226 40 0 GIABRN CCOc1ccc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1OC ZINC000408784282 528370763 /nfs/dbraw/zinc/37/07/63/528370763.db2.gz QBRPDRZXARUEDS-FNGUVFISSA-N 0 0 384.501 4.256 40 0 GIABRN CCOc1ccc(C(=O)NC(=S)Nc2nc3c(s2)c(C)ccc3C)cc1 ZINC000408627127 528395546 /nfs/dbraw/zinc/39/55/46/528395546.db2.gz KLSXXKYGIVBEJV-UHFFFAOYSA-N 0 0 385.514 4.439 40 0 GIABRN CCOc1ccc(CCCNS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 ZINC000225146766 528423320 /nfs/dbraw/zinc/42/33/20/528423320.db2.gz KJNJOJJJEMTRKX-UHFFFAOYSA-N 0 0 399.512 4.158 40 0 GIABRN CCCNC(=S)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 ZINC000408978147 528470136 /nfs/dbraw/zinc/47/01/36/528470136.db2.gz KUAJKCKZALRSIG-UHFFFAOYSA-N 0 0 376.489 4.316 40 0 GIABRN CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c2cccnc12 ZINC000225872225 528500237 /nfs/dbraw/zinc/50/02/37/528500237.db2.gz IUZBTBBYZVSNQA-UHFFFAOYSA-N 0 0 376.456 4.320 40 0 GIABRN CCOc1ccc(NCc2cc(I)c(O)c(OC)c2)cc1 ZINC000409119558 528554503 /nfs/dbraw/zinc/55/45/03/528554503.db2.gz SVLNPUROUXKPLO-UHFFFAOYSA-N 0 0 399.228 4.016 40 0 GIABRN CCCOc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000408585709 528655091 /nfs/dbraw/zinc/65/50/91/528655091.db2.gz HLVZCRUINZIHBD-UHFFFAOYSA-N 0 0 377.234 4.278 40 0 GIABRN CCOC(=O)COc1ccccc1/C=C1/c2ccccc2N(CC(C)C)C1=O ZINC000409121433 528850501 /nfs/dbraw/zinc/85/05/01/528850501.db2.gz ZTUQXZASKJYZSM-UYRXBGFRSA-N 0 0 379.456 4.172 40 0 GIABRN CCC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000409411294 528899692 /nfs/dbraw/zinc/89/96/92/528899692.db2.gz WAWMQEYELUQLAQ-MRXNPFEDSA-N 0 0 388.533 4.331 40 0 GIABRN CCOC(=O)Cn1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)c2ccccc21 ZINC000409015647 528920694 /nfs/dbraw/zinc/92/06/94/528920694.db2.gz RROJZPZCCUBTFU-VZWMTCDZSA-N 0 0 386.473 4.039 40 0 GIABRN CCCCc1ccc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000408678137 529024202 /nfs/dbraw/zinc/02/42/02/529024202.db2.gz GCYNDYHPNBXANF-UHFFFAOYSA-N 0 0 388.533 4.214 40 0 GIABRN CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000408555231 529113305 /nfs/dbraw/zinc/11/33/05/529113305.db2.gz FLDHLIPPQJODGZ-UHFFFAOYSA-N 0 0 388.367 4.075 40 0 GIABRN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2F)n1C ZINC000006225731 529157775 /nfs/dbraw/zinc/15/77/75/529157775.db2.gz RMOLHRVUGAEKBY-UHFFFAOYSA-N 0 0 384.480 4.223 40 0 GIABRN CCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 ZINC000408584230 529160466 /nfs/dbraw/zinc/16/04/66/529160466.db2.gz NFFJYLIRSNTZIZ-UHFFFAOYSA-N 0 0 389.521 4.136 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000223013061 535817844 /nfs/dbraw/zinc/81/78/44/535817844.db2.gz VHPKWROUAGXZEY-HXUWFJFHSA-N 0 0 390.886 4.294 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000223012907 535817847 /nfs/dbraw/zinc/81/78/47/535817847.db2.gz ICGSZJFGFZZMOP-HXUWFJFHSA-N 0 0 390.886 4.294 40 0 GIABRN CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1N1CCCCC1 ZINC000001341063 536070176 /nfs/dbraw/zinc/07/01/76/536070176.db2.gz HAAZWDSXVCMBMS-UHFFFAOYSA-N 0 0 380.492 4.275 40 0 GIABRN Cc1ccc2[nH]c(C[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514289747 560031747 /nfs/dbraw/zinc/03/17/47/560031747.db2.gz ZWWAMXXDTGRULW-OALUTQOASA-N 0 0 377.488 4.027 40 0 biogenic,in-vitro GIABRN COc1ccc2[nH]c(C[C@H]3C[N@H+](CC4CCCCC4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514288686 560034073 /nfs/dbraw/zinc/03/40/73/560034073.db2.gz KPOZWSVWGXFOMS-ROUUACIJSA-N 0 0 399.535 4.107 40 0 biogenic,in-vitro GIABRN Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3cc4ccccc4o3)n2)cc1F ZINC000015674342 560231085 /nfs/dbraw/zinc/23/10/85/560231085.db2.gz XEGBNROWDHKTED-APWZRJJASA-N 0 0 393.418 4.238 40 0 biogenic,in-vitro GIABRN Cc1cc(C)c(Nc2cc(-c3ccccn3)nc(N[C@H](CO)C(C)C)n2)c(C)c1 ZINC000328976647 570210521 /nfs/dbraw/zinc/21/05/21/570210521.db2.gz FPDNCPRDIOHEIL-HXUWFJFHSA-N 0 0 391.519 4.058 40 0 GIABRN COc1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)cc1F ZINC000328995068 570211143 /nfs/dbraw/zinc/21/11/43/570211143.db2.gz JFSRGYOQFQRELO-UHFFFAOYSA-N 0 0 393.466 4.018 40 0 GIABRN Cc1ccc(Nc2cc(-c3ccncc3)nc(N[C@H](CO)C(C)C)n2)c(Cl)c1 ZINC000329007623 570211715 /nfs/dbraw/zinc/21/17/15/570211715.db2.gz LLTDOGLENIOUPE-LJQANCHMSA-N 0 0 397.910 4.095 40 0 GIABRN Fc1cccc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)c1F ZINC000329008068 570211758 /nfs/dbraw/zinc/21/17/58/570211758.db2.gz LOCHFQCFJJOJLN-UHFFFAOYSA-N 0 0 381.430 4.149 40 0 GIABRN Cc1cc(C)c(Nc2cc(-c3cccnc3)nc(N[C@H](CO)C(C)C)n2)c(C)c1 ZINC000329019349 570212951 /nfs/dbraw/zinc/21/29/51/570212951.db2.gz NWIJLKYUJPTUEW-HXUWFJFHSA-N 0 0 391.519 4.058 40 0 GIABRN Fc1ccc(Nc2cc(Cl)nc(-c3ccncc3)n2)cc1Br ZINC000329023940 570213692 /nfs/dbraw/zinc/21/36/92/570213692.db2.gz OWLVCPLBQFCSNY-UHFFFAOYSA-N 0 0 379.620 4.259 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2ccc(C)cc2Br)cc(C2CC2)n1 ZINC000329032269 570213770 /nfs/dbraw/zinc/21/37/70/570213770.db2.gz QOGATJGPDJUXIK-LBPRGKRZSA-N 0 0 375.314 4.223 40 0 GIABRN Cc1ccc(Nc2cc(-c3ccccc3)nc(N[C@@H](CO)C(C)C)n2)cc1F ZINC000329034355 570213792 /nfs/dbraw/zinc/21/37/92/570213792.db2.gz QYLJSIHWQLHYNR-FQEVSTJZSA-N 0 0 380.467 4.185 40 0 GIABRN Cn1cc(-c2cnc(-c3cccc(F)c3)nc2)cc1C(=O)NCc1ccccc1 ZINC000096147661 570214091 /nfs/dbraw/zinc/21/40/91/570214091.db2.gz RPEJPWDQMGRBMW-UHFFFAOYSA-N 0 0 386.430 4.218 40 0 GIABRN Brc1ccc2c(c1)CN(c1cc(NCc3ccccc3)ncn1)CC2 ZINC000329036591 570214107 /nfs/dbraw/zinc/21/41/07/570214107.db2.gz RKBDPAPRYUFFAI-UHFFFAOYSA-N 0 0 395.304 4.414 40 0 GIABRN O=C(c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1)N1CCCC1 ZINC000096146547 570214200 /nfs/dbraw/zinc/21/42/00/570214200.db2.gz ZDWXSPAXSIBZGZ-UHFFFAOYSA-N 0 0 385.471 4.021 40 0 GIABRN COC(=O)c1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc(C3CC3)n1)C2 ZINC000329039658 570214324 /nfs/dbraw/zinc/21/43/24/570214324.db2.gz RYIHRTYEOHFWPR-UHFFFAOYSA-N 0 0 392.503 4.058 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)c(F)c2)cc(-c2ccccc2)n1 ZINC000329048370 570214986 /nfs/dbraw/zinc/21/49/86/570214986.db2.gz UJQNNJLPWFPRCE-IBGZPJMESA-N 0 0 384.430 4.016 40 0 GIABRN O=C(NCc1ccncc1)c1cc(-c2ccn(-c3ccccc3)n2)n2ccccc12 ZINC000096154755 570216135 /nfs/dbraw/zinc/21/61/35/570216135.db2.gz KNDTUILMVBQUIF-UHFFFAOYSA-N 0 0 393.450 4.117 40 0 GIABRN COc1cccc(NC(=O)c2nnc3c(-c4ccc(Cl)cc4)cnn3c2C)c1 ZINC000019817089 570221631 /nfs/dbraw/zinc/22/16/31/570221631.db2.gz ALPFBTPKZDDLPU-UHFFFAOYSA-N 0 0 393.834 4.014 40 0 GIABRN CC[C@H](Oc1cccc(C)c1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 ZINC000096234468 570221661 /nfs/dbraw/zinc/22/16/61/570221661.db2.gz VAMKTLJYDZMBNO-INIZCTEOSA-N 0 0 385.489 4.313 40 0 GIABRN CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)CC3CC3)CC2)c2ccccc21 ZINC000096242356 570222649 /nfs/dbraw/zinc/22/26/49/570222649.db2.gz NJOQNSSGDLNJNN-IBGZPJMESA-N 0 0 382.548 4.093 40 0 GIABRN CC(C)Oc1ccccc1C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000096248318 570224240 /nfs/dbraw/zinc/22/42/40/570224240.db2.gz KZRPRZNPDXNYIC-UHFFFAOYSA-N 0 0 385.851 4.449 40 0 GIABRN CCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000000878682 570228073 /nfs/dbraw/zinc/22/80/73/570228073.db2.gz XIUFWIOJWXDSHI-UHFFFAOYSA-N 0 0 397.519 4.181 40 0 GIABRN CC1(C)C[C@@]2(C[C@H](c3ccc(Cl)cc3)c3ccc(O)cc3O2)NC(=S)N1 ZINC000000908128 570229466 /nfs/dbraw/zinc/22/94/66/570229466.db2.gz RLMGQYYFQOXBIS-UZLBHIALSA-N 0 0 388.920 4.303 40 0 GIABRN CC1(C)Oc2ccccc2[C@H]2O[C@H]3CC[N@H+](Cc4ccccc4C(=O)[O-])[C@@H]3C[C@@H]21 ZINC000585262338 570229991 /nfs/dbraw/zinc/22/99/91/570229991.db2.gz NJDHMRQMPLFMKK-YUVXSKOASA-N 0 0 393.483 4.277 40 0 GIABRN COc1ccccc1-c1nnc(CSc2n[nH]c(-c3ccc(Cl)cc3)n2)o1 ZINC000019928793 570230513 /nfs/dbraw/zinc/23/05/13/570230513.db2.gz NNVCXGCPVZWBLG-UHFFFAOYSA-N 0 0 399.863 4.476 40 0 GIABRN COc1ccccc1OCc1nnc(SCC(=O)Nc2cc(C)ccc2C)o1 ZINC000019928401 570230594 /nfs/dbraw/zinc/23/05/94/570230594.db2.gz YPODRZSEFSVBMU-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN O=C(Cc1ccc(F)cc1)N1CCC(c2cccc(Nc3nccs3)n2)CC1 ZINC000585262633 570230896 /nfs/dbraw/zinc/23/08/96/570230896.db2.gz LFLRVGNBARWNRI-UHFFFAOYSA-N 0 0 396.491 4.370 40 0 GIABRN COc1ccc(SCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000019932997 570231117 /nfs/dbraw/zinc/23/11/17/570231117.db2.gz QHMCENZNQCSSBN-UHFFFAOYSA-N 0 0 390.936 4.098 40 0 GIABRN O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1ccc(F)c(Cl)c1 ZINC000019937631 570232058 /nfs/dbraw/zinc/23/20/58/570232058.db2.gz FTVGGPGOAAFCKC-UHFFFAOYSA-N 0 0 392.217 4.064 40 0 GIABRN CCOc1ccc(Nc2nccc(-c3cnc(N4CCCCC4)nc3C)n2)cc1 ZINC000019960321 570233625 /nfs/dbraw/zinc/23/36/25/570233625.db2.gz DSDGYICNCDGDOX-UHFFFAOYSA-N 0 0 390.491 4.375 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC(C)C)c(Cl)c2)cc1 ZINC000020040248 570236946 /nfs/dbraw/zinc/23/69/46/570236946.db2.gz QWEBQBINFMLEAR-UHFFFAOYSA-N 0 0 394.924 4.225 40 0 GIABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(I)cc1 ZINC000020048606 570237832 /nfs/dbraw/zinc/23/78/32/570237832.db2.gz KUBWYEUKTZVWDL-OAHLLOKOSA-N 0 0 399.203 4.226 40 0 GIABRN Cc1cc(O[C@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)cc(C)c1Cl ZINC000020050254 570238108 /nfs/dbraw/zinc/23/81/08/570238108.db2.gz XRJRERRBKUVOIE-MRXNPFEDSA-N 0 0 383.879 4.226 40 0 GIABRN COc1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1Cl ZINC000020105115 570239682 /nfs/dbraw/zinc/23/96/82/570239682.db2.gz IEOGXUNSMITNFK-LLVKDONJSA-N 0 0 381.881 4.485 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000020107352 570239952 /nfs/dbraw/zinc/23/99/52/570239952.db2.gz BLVNABMWXMLPGU-HXUWFJFHSA-N 0 0 382.504 4.485 40 0 GIABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000020107353 570240031 /nfs/dbraw/zinc/24/00/31/570240031.db2.gz BLVNABMWXMLPGU-FQEVSTJZSA-N 0 0 382.504 4.485 40 0 GIABRN CCS(=O)(=O)N1c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2C[C@H]1C ZINC000020449005 570256262 /nfs/dbraw/zinc/25/62/62/570256262.db2.gz ZQGWYQVOFUTCRV-OAHLLOKOSA-N 0 0 386.517 4.163 40 0 GIABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000020453623 570258137 /nfs/dbraw/zinc/25/81/37/570258137.db2.gz NGBLHTFGFUANCR-JOCHJYFZSA-N 0 0 392.474 4.485 40 0 GIABRN Cc1ccc([C@@H](NC(=O)c2ccc(N3CCOCC3)cc2)c2ccccc2)cc1 ZINC000020454876 570258748 /nfs/dbraw/zinc/25/87/48/570258748.db2.gz AEUKIXXMJJIEAY-DEOSSOPVSA-N 0 0 386.495 4.351 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc(OC)c1 ZINC000020456506 570259162 /nfs/dbraw/zinc/25/91/62/570259162.db2.gz GYTNGTRHARALNX-FOIQADDNSA-N 0 0 384.476 4.020 40 0 GIABRN O=C(/C=C/c1ccccc1)N1CCC[C@H](Cc2cc(Nc3ccccn3)ncn2)C1 ZINC000585291404 570260278 /nfs/dbraw/zinc/26/02/78/570260278.db2.gz CEQJXCKPLQPZPV-YVNCXZRQSA-N 0 0 399.498 4.110 40 0 GIABRN CCc1ccccc1O[C@@H](C)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000020461697 570260622 /nfs/dbraw/zinc/26/06/22/570260622.db2.gz LVWDELXTKUJGIT-KRWDZBQOSA-N 0 0 386.923 4.327 40 0 GIABRN COc1cc(OC)cc(OCC(=O)N[C@H](c2ccccc2)c2ccccc2C)c1 ZINC000020460900 570260659 /nfs/dbraw/zinc/26/06/59/570260659.db2.gz SDWPJVLPXLZURN-XMMPIXPASA-N 0 0 391.467 4.297 40 0 GIABRN O=C(Cc1cccs1)N([C@@H](C(=O)NC1CCCC1)c1ccccc1)C1CC1 ZINC000001333822 570260883 /nfs/dbraw/zinc/26/08/83/570260883.db2.gz KTZNWEXPSJGZBC-OAQYLSRUSA-N 0 0 382.529 4.082 40 0 GIABRN O=C(c1ccc(Cl)cc1)N1CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000001349445 570260925 /nfs/dbraw/zinc/26/09/25/570260925.db2.gz XZWFGUDSMJJSPJ-UHFFFAOYSA-N 0 0 383.904 4.426 40 0 GIABRN CCN(CC)C(=O)CSc1nc(C2CC2)nc2sc3c(c21)CCCC3 ZINC000001332753 570260927 /nfs/dbraw/zinc/26/09/27/570260927.db2.gz PZBXBTIPNIHTTB-UHFFFAOYSA-N 0 0 375.563 4.408 40 0 GIABRN CCOc1ccc(CCCNC(=O)[C@H](C)Oc2ccccc2CC)cc1OC ZINC000020487604 570262399 /nfs/dbraw/zinc/26/23/99/570262399.db2.gz FQJKYHHXMZMTHR-KRWDZBQOSA-N 0 0 385.504 4.173 40 0 GIABRN Cc1cccnc1Nc1cc([C@H]2CCN2C(=O)/C=C/c2ccccc2)nc(C)n1 ZINC000585292901 570262957 /nfs/dbraw/zinc/26/29/57/570262957.db2.gz UFDYYNULUBIMCN-CTDFXDFQSA-N 0 0 385.471 4.219 40 0 GIABRN COc1cccc(O[C@@H](C)C(=O)NCCSCc2c(F)cccc2Cl)c1 ZINC000020491001 570263045 /nfs/dbraw/zinc/26/30/45/570263045.db2.gz UIPBDKXYKBPGHD-ZDUSSCGKSA-N 0 0 397.899 4.305 40 0 GIABRN O=C(NC1CCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020494836 570263880 /nfs/dbraw/zinc/26/38/80/570263880.db2.gz ROCKNNMACOQLIA-UHFFFAOYSA-N 0 0 392.908 4.203 40 0 GIABRN Cc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3ccccn3)cs2)cc1 ZINC000585294507 570263882 /nfs/dbraw/zinc/26/38/82/570263882.db2.gz HENGOKDZSPNIAM-LJQANCHMSA-N 0 0 378.501 4.436 40 0 GIABRN C[C@@H]1CN(C(=O)c2ccc(Cl)cc2)[C@H](C)CN1C(=O)c1ccc(Cl)cc1 ZINC000001575374 570265219 /nfs/dbraw/zinc/26/52/19/570265219.db2.gz LWYMDXFBQHMGLW-ZIAGYGMSSA-N 0 0 391.298 4.369 40 0 GIABRN CC(=O)Nc1c(Br)cc2c(c1Br)Cc1cc(N)ccc1-2 ZINC000001580934 570265249 /nfs/dbraw/zinc/26/52/49/570265249.db2.gz PMOCVMHXHFQZCC-UHFFFAOYSA-N 0 0 396.082 4.323 40 0 GIABRN O=C(Oc1ccc(Cl)cc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000040868828 570266034 /nfs/dbraw/zinc/26/60/34/570266034.db2.gz XDTGXIVKHJSZBR-UHFFFAOYSA-N 0 0 377.783 4.360 40 0 GIABRN Cc1ccc(OCCCC(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 ZINC000001773876 570268071 /nfs/dbraw/zinc/26/80/71/570268071.db2.gz RHAIXQDNQJWFQS-UHFFFAOYSA-N 0 0 378.424 4.355 40 0 GIABRN CCCc1nnc2sc(-c3cccc(NC(=O)c4cccc(OC)c4)c3)nn12 ZINC000020609636 570271885 /nfs/dbraw/zinc/27/18/85/570271885.db2.gz UMSFVCFFSOUTQM-UHFFFAOYSA-N 0 0 393.472 4.066 40 0 GIABRN CCc1nnc2sc(-c3cccc(NC(=O)c4cc(C)cc(C)c4)c3)nn12 ZINC000020609602 570271910 /nfs/dbraw/zinc/27/19/10/570271910.db2.gz IQTBSARMOUZWKA-UHFFFAOYSA-N 0 0 377.473 4.284 40 0 GIABRN COc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccc(C)cc2)C4)cc1 ZINC000020632425 570273233 /nfs/dbraw/zinc/27/32/33/570273233.db2.gz GTDXFIQKFMVMOH-QGZVFWFLSA-N 0 0 384.439 4.021 40 0 GIABRN CCc1ccc(-n2nnnc2C=CNc2ccc(OC(F)(F)F)cc2)cc1 ZINC000100661667 570274263 /nfs/dbraw/zinc/27/42/63/570274263.db2.gz AFSOPOZRUNDYIH-QXMHVHEDSA-N 0 0 375.354 4.206 40 0 GIABRN Cc1ccccc1-c1nnc(SCc2ccc(Br)cc2)n1N ZINC000002233517 570280123 /nfs/dbraw/zinc/28/01/23/570280123.db2.gz GWSURYVMFFRGMU-UHFFFAOYSA-N 0 0 375.295 4.022 40 0 GIABRN Cc1cccc(NC(=O)CSc2nc3cc(Br)ccc3[nH]2)c1 ZINC000020765242 570282993 /nfs/dbraw/zinc/28/29/93/570282993.db2.gz FFUUYGYADBVNBR-UHFFFAOYSA-N 0 0 376.279 4.365 40 0 GIABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1cccnc1 ZINC000021005604 570287223 /nfs/dbraw/zinc/28/72/23/570287223.db2.gz PPHRZIBWUOZPQI-JOCHJYFZSA-N 0 0 396.450 4.421 40 0 GIABRN Cc1cc(NC(=O)COc2cccc(C(F)(F)F)c2)ccc1N1CCCC1=O ZINC000021143897 570288606 /nfs/dbraw/zinc/28/86/06/570288606.db2.gz UHQTVMCUNQVXRI-UHFFFAOYSA-N 0 0 392.377 4.158 40 0 GIABRN CC(C)c1cccc2sc(NC(=O)C(=O)C=C([O-])c3ccc(F)cc3)nc21 ZINC000102970709 570293780 /nfs/dbraw/zinc/29/37/80/570293780.db2.gz VVCAAYKFKODWQD-UHFFFAOYSA-N 0 0 384.432 4.339 40 0 GIABRN Cc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000000738383 570294529 /nfs/dbraw/zinc/29/45/29/570294529.db2.gz AUVBTAIMHOUPQB-UHFFFAOYSA-N 0 0 399.494 4.210 40 0 GIABRN CC(=O)Oc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O ZINC000001102274 570295402 /nfs/dbraw/zinc/29/54/02/570295402.db2.gz NIFYITVGNBAKAU-NVNXTCNLSA-N 0 0 376.195 4.263 40 0 GIABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000216280561 570298339 /nfs/dbraw/zinc/29/83/39/570298339.db2.gz UIBHZXKRMCGOMQ-KRWDZBQOSA-N 0 0 377.488 4.254 40 0 GIABRN CCOc1ccc(CCC(=O)NCCCc2ccccc2OC)cc1OCC ZINC000216310056 570298607 /nfs/dbraw/zinc/29/86/07/570298607.db2.gz KLUSBCVTFZNHHK-UHFFFAOYSA-N 0 0 385.504 4.174 40 0 GIABRN O=C(CSc1nnc(COc2ccccc2Cl)o1)Nc1ccc(F)cc1 ZINC000003364831 570300318 /nfs/dbraw/zinc/30/03/18/570300318.db2.gz SAODZQBNBHRPPO-UHFFFAOYSA-N 0 0 393.827 4.172 40 0 GIABRN COc1ccc([C@H](CC(C)C)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000216426878 570301234 /nfs/dbraw/zinc/30/12/34/570301234.db2.gz PFNNZAAZFJSMHR-SFHVURJKSA-N 0 0 387.476 4.238 40 0 GIABRN C[C@H]1CCCN(C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)C1 ZINC000216421486 570301468 /nfs/dbraw/zinc/30/14/68/570301468.db2.gz MWVUOEAYVQWFSG-AWEZNQCLSA-N 0 0 392.908 4.013 40 0 GIABRN Clc1ncc(Br)c(NCc2ccc(Br)cc2)n1 ZINC000024628836 570302564 /nfs/dbraw/zinc/30/25/64/570302564.db2.gz JVMYXXXQFMUDFD-UHFFFAOYSA-N 0 0 377.467 4.267 40 0 GIABRN Cc1cc(Cl)cc(Cl)c1OCC(=O)n1cc(C(N)=O)c2ccccc21 ZINC000216868303 570308576 /nfs/dbraw/zinc/30/85/76/570308576.db2.gz BNTBIUDTYHAVBH-UHFFFAOYSA-N 0 0 377.227 4.075 40 0 GIABRN CCn1cc(C(=O)NCc2ccccc2Cl)c(=O)c2cc(Cl)ccc21 ZINC000022234842 570308788 /nfs/dbraw/zinc/30/87/88/570308788.db2.gz JHHZUPGIOIOGQL-UHFFFAOYSA-N 0 0 375.255 4.258 40 0 GIABRN O=S1(=O)CC[C@H](N(Cc2ccco2)C(c2ccccc2)c2ccccc2)C1 ZINC000575422638 570308828 /nfs/dbraw/zinc/30/88/28/570308828.db2.gz VRDPXRRRAKGDGO-FQEVSTJZSA-N 0 0 381.497 4.058 40 0 GIABRN CCn1cc(C(=O)Nc2ccccc2C(F)(F)F)c(=O)c2cc(OC)ccc21 ZINC000022235809 570309216 /nfs/dbraw/zinc/30/92/16/570309216.db2.gz CMERKKCLTVQJGY-UHFFFAOYSA-N 0 0 390.361 4.301 40 0 GIABRN O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccccc1-c1ccccc1 ZINC000021822223 570314973 /nfs/dbraw/zinc/31/49/73/570314973.db2.gz FEXQYNVUMVIVGE-UHFFFAOYSA-N 0 0 385.511 4.110 40 0 GIABRN Cc1ccc(Cl)cc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000022387031 570315598 /nfs/dbraw/zinc/31/55/98/570315598.db2.gz JIMRLJNXCDOMMH-UHFFFAOYSA-N 0 0 394.924 4.177 40 0 GIABRN O=C(NC1CCCCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000021874279 570316011 /nfs/dbraw/zinc/31/60/11/570316011.db2.gz LSLAPOMBSTTZDN-UHFFFAOYSA-N 0 0 386.517 4.330 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N3CCCCC3)nc2)cc1 ZINC000072216081 570316808 /nfs/dbraw/zinc/31/68/08/570316808.db2.gz WIVYQGYUJFLBOO-NRFANRHFSA-N 0 0 399.560 4.296 40 0 GIABRN Cc1cc([C@H]2CCCCN2C(=O)OCc2ccccc2)cnc1N1CCOCC1 ZINC000072219371 570318126 /nfs/dbraw/zinc/31/81/26/570318126.db2.gz SHXXIGPCYCAJMA-OAQYLSRUSA-N 0 0 395.503 4.090 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(OC)cc1 ZINC000022518233 570319534 /nfs/dbraw/zinc/31/95/34/570319534.db2.gz FSISBXCLCBLGTD-HUUCEWRRSA-N 0 0 386.517 4.343 40 0 GIABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000022517023 570319584 /nfs/dbraw/zinc/31/95/84/570319584.db2.gz WFYVJLBEWMDBEK-DDVUFSRBSA-N 0 0 392.543 4.318 40 0 GIABRN CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(OC)c2)cc1OCC ZINC000022521690 570319854 /nfs/dbraw/zinc/31/98/54/570319854.db2.gz GYEKZWWLUHVVJQ-CVEARBPZSA-N 0 0 387.476 4.137 40 0 GIABRN CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2ccccc2C)cc1OC ZINC000022531210 570320678 /nfs/dbraw/zinc/32/06/78/570320678.db2.gz OWBSNLKXWSOXHX-LJQANCHMSA-N 0 0 385.504 4.309 40 0 GIABRN Cc1nccn1-c1ccccc1CNC(=O)CSCc1cccc(Cl)c1 ZINC000022535262 570321309 /nfs/dbraw/zinc/32/13/09/570321309.db2.gz VZWAHKUPEGDKST-UHFFFAOYSA-N 0 0 385.920 4.384 40 0 GIABRN CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000022534666 570321326 /nfs/dbraw/zinc/32/13/26/570321326.db2.gz WDGBJWCDEKZOQV-NRFANRHFSA-N 0 0 394.496 4.369 40 0 GIABRN CCOC(=O)c1cnc2c(-c3cccc(Cl)c3)c(C)nn2c1/C=C/N(C)C ZINC000022607522 570322906 /nfs/dbraw/zinc/32/29/06/570322906.db2.gz WWCPSBQNCVVKHH-MDZDMXLPSA-N 0 0 384.867 4.067 40 0 GIABRN COc1ccc(CC(=O)Nc2c(C)cc(Br)cc2C)cc1OC ZINC000045999091 570325722 /nfs/dbraw/zinc/32/57/22/570325722.db2.gz VRWXDYMDMKHNDF-UHFFFAOYSA-N 0 0 378.266 4.264 40 0 GIABRN O=C(Nc1ccc(I)cc1Cl)c1cccc(F)c1 ZINC000048458371 570327040 /nfs/dbraw/zinc/32/70/40/570327040.db2.gz KAVDMEKTVACVCR-UHFFFAOYSA-N 0 0 375.568 4.336 40 0 GIABRN O=C(CSc1noc(Cc2ccccc2)n1)c1ccc(Br)cc1 ZINC000028527275 570337974 /nfs/dbraw/zinc/33/79/74/570337974.db2.gz BJMDDCARQWOINX-UHFFFAOYSA-N 0 0 389.274 4.398 40 0 GIABRN COc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)cc1 ZINC000408573241 570340478 /nfs/dbraw/zinc/34/04/78/570340478.db2.gz NBUJXHBVBIDCTP-WYMLVPIESA-N 0 0 378.453 4.482 40 0 GIABRN CC(C)(C)SCCNC(=O)COc1ccc(Cl)cc1Br ZINC000218853533 570342120 /nfs/dbraw/zinc/34/21/20/570342120.db2.gz LFAOUYQJHOVCOZ-UHFFFAOYSA-N 0 0 380.735 4.129 40 0 GIABRN Cc1cc(C)cc(CSCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000408576299 570342677 /nfs/dbraw/zinc/34/26/77/570342677.db2.gz RZHXKEQUANIBMK-RMKNXTFCSA-N 0 0 394.584 4.394 40 0 GIABRN COC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1ccc(C)cc1)CCC2 ZINC000408575997 570342729 /nfs/dbraw/zinc/34/27/29/570342729.db2.gz QBVWZJBBIJXMGZ-GFCCVEGCSA-N 0 0 375.515 4.451 40 0 GIABRN CCOC(=O)c1cccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1C ZINC000218923331 570343740 /nfs/dbraw/zinc/34/37/40/570343740.db2.gz KNPBPHXDRSMIIA-UHFFFAOYSA-N 0 0 375.852 4.459 40 0 GIABRN COc1ccc(OC[C@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000218977925 570344992 /nfs/dbraw/zinc/34/49/92/570344992.db2.gz BGGWVWSJTLEVMM-SFHVURJKSA-N 0 0 391.467 4.472 40 0 GIABRN COc1ccc(OC[C@H](C)NC(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000218986451 570345290 /nfs/dbraw/zinc/34/52/90/570345290.db2.gz LUZKVVAWIHFWMU-SFHVURJKSA-N 0 0 391.467 4.472 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)ccc3C)n2)cc1 ZINC000219077021 570347607 /nfs/dbraw/zinc/34/76/07/570347607.db2.gz SBUNRVIADYSMMO-KRWDZBQOSA-N 0 0 379.460 4.088 40 0 GIABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000219204517 570349213 /nfs/dbraw/zinc/34/92/13/570349213.db2.gz UTODKIVOTNPUBT-IBGZPJMESA-N 0 0 378.472 4.154 40 0 GIABRN COc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccc(F)cc1)CC(C)(C)O2 ZINC000219262598 570350723 /nfs/dbraw/zinc/35/07/23/570350723.db2.gz MJRWAJJVSKLXSO-SFHVURJKSA-N 0 0 389.492 4.486 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1ccc(OC)c(OC)c1 ZINC000219282105 570351160 /nfs/dbraw/zinc/35/11/60/570351160.db2.gz DCJUMAFWDFNEPE-GOSISDBHSA-N 0 0 399.487 4.064 40 0 GIABRN CC(C)c1ccccc1O[C@@H](C)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000219300984 570352387 /nfs/dbraw/zinc/35/23/87/570352387.db2.gz ORJMRQYLQXAVOH-AWEZNQCLSA-N 0 0 385.489 4.347 40 0 GIABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000219304219 570353184 /nfs/dbraw/zinc/35/31/84/570353184.db2.gz LJUURBJHNPWSAM-HNNXBMFYSA-N 0 0 399.878 4.399 40 0 GIABRN CC[C@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000219372511 570357192 /nfs/dbraw/zinc/35/71/92/570357192.db2.gz VDLQEYOYCHHPIG-IBGZPJMESA-N 0 0 393.487 4.478 40 0 GIABRN COc1cc2ccccc2cc1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219395808 570358939 /nfs/dbraw/zinc/35/89/39/570358939.db2.gz HZFPANSXPUHNIU-UHFFFAOYSA-N 0 0 393.830 4.482 40 0 GIABRN Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccccc1C ZINC000057315596 570360449 /nfs/dbraw/zinc/36/04/49/570360449.db2.gz HONNGSSAANCRKL-UHFFFAOYSA-N 0 0 393.468 4.276 40 0 GIABRN C[C@]12CC3CC(C(=O)CN4CCN(Cc5ccccc5)CC4)(C1)C[C@@](C)(C3)C2 ZINC000023473212 570363296 /nfs/dbraw/zinc/36/32/96/570363296.db2.gz VNNWMHZYOKLMHR-AABVNVKOSA-N 0 0 380.576 4.370 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(C)c(C)c3)n2)c1 ZINC000219522216 570365562 /nfs/dbraw/zinc/36/55/62/570365562.db2.gz UEJDHMSJHOPNDQ-QGZVFWFLSA-N 0 0 379.460 4.088 40 0 GIABRN Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000219552861 570366620 /nfs/dbraw/zinc/36/66/20/570366620.db2.gz UCBXYUSGVZMDDS-AWEZNQCLSA-N 0 0 385.851 4.091 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cc(C)cc(C)c3)n2)c1 ZINC000219553541 570366757 /nfs/dbraw/zinc/36/67/57/570366757.db2.gz FXYKUYBJTJZTPK-QGZVFWFLSA-N 0 0 379.460 4.088 40 0 GIABRN CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118925015 570368013 /nfs/dbraw/zinc/36/80/13/570368013.db2.gz DCPCOYRRYCABSA-FBCDCLDFSA-N 0 0 376.537 4.283 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccccc2OC)cc1Cl ZINC000219563421 570368579 /nfs/dbraw/zinc/36/85/79/570368579.db2.gz FVVRPWRFHDEYJD-MRXNPFEDSA-N 0 0 391.851 4.321 40 0 GIABRN CC[C@H](Oc1ccccc1OC)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219566505 570369077 /nfs/dbraw/zinc/36/90/77/570369077.db2.gz ZVEFAMIYBUYUJR-ROUUACIJSA-N 0 0 399.487 4.280 40 0 GIABRN COc1ccccc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000408619757 570370177 /nfs/dbraw/zinc/37/01/77/570370177.db2.gz HHDRZADJFJAMKM-UHFFFAOYSA-N 0 0 392.480 4.401 40 0 GIABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 ZINC000219604639 570370646 /nfs/dbraw/zinc/37/06/46/570370646.db2.gz JXZGDJSMRZCGEU-LIRRHRJNSA-N 0 0 377.868 4.090 40 0 GIABRN CN(C)c1nc2c(c(Nc3ccccc3)n1)[C@@H]1CC[C@H](C2)N1C(=O)OC(C)(C)C ZINC000057774900 570373594 /nfs/dbraw/zinc/37/35/94/570373594.db2.gz ZXACUXTXHDZBDF-WBVHZDCISA-N 0 0 395.507 4.283 40 0 GIABRN O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccc(F)cc1 ZINC000408626469 570378782 /nfs/dbraw/zinc/37/87/82/570378782.db2.gz HLSDLJGCMVNZKR-UHFFFAOYSA-N 0 0 387.661 4.368 40 0 GIABRN O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccccc1F ZINC000408627621 570379970 /nfs/dbraw/zinc/37/99/70/570379970.db2.gz MQISPUWGOCGMBG-UHFFFAOYSA-N 0 0 387.661 4.368 40 0 GIABRN CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220507720 570387476 /nfs/dbraw/zinc/38/74/76/570387476.db2.gz TWLIPUIITVSLNA-IBGZPJMESA-N 0 0 388.533 4.104 40 0 GIABRN CC[C@@H](C(=O)Nc1cccc(Cl)c1C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220502836 570387494 /nfs/dbraw/zinc/38/74/94/570387494.db2.gz QCGJSHHMIWZUIW-SFHVURJKSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@@H](C(=O)Nc1cc(C)cc(C)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220558298 570388484 /nfs/dbraw/zinc/38/84/84/570388484.db2.gz VUCNPZZMVJGGRX-FQEVSTJZSA-N 0 0 388.533 4.104 40 0 GIABRN C[C@@H](CC[C@@H]1CCCO1)OC(=O)CCCCC(=O)O[C@@H](C)CC[C@@H]1CCCO1 ZINC000004684149 570392946 /nfs/dbraw/zinc/39/29/46/570392946.db2.gz WTKXGQXWHJXYJA-MUGJNUQGSA-N 0 0 398.540 4.329 40 0 GIABRN CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)Nc1c(F)cc(C)cc1Cl ZINC000685939093 570397266 /nfs/dbraw/zinc/39/72/66/570397266.db2.gz VCSWUSPPGJUOQU-SCLBCKFNSA-N 0 0 394.878 4.293 40 0 GIABRN CC(C)Oc1cc(Nc2nc(NCc3ccc(F)cc3)ncc2Cl)[nH]n1 ZINC000095802924 570404217 /nfs/dbraw/zinc/40/42/17/570404217.db2.gz BMSPVRYVSBMROW-UHFFFAOYSA-N 0 0 376.823 4.135 40 0 GIABRN O=S(=O)([N-]c1nnc(SCc2ccccc2)s1)c1ccc(Cl)cc1 ZINC000121212157 570404382 /nfs/dbraw/zinc/40/43/82/570404382.db2.gz RPNUDDQSHGANEJ-UHFFFAOYSA-N 0 0 397.934 4.285 40 0 GIABRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@]1(O)CC[C@H]2c1ccc(=O)oc1 ZINC000584567058 570410578 /nfs/dbraw/zinc/41/05/78/570410578.db2.gz QEEBRPGZBVVINN-YDHVBTKVSA-N 0 0 386.532 4.242 40 0 GIABRN CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3cccc(OC)c3)n2C)cc1 ZINC000006963727 570411177 /nfs/dbraw/zinc/41/11/77/570411177.db2.gz JQVAAWOHUMZPMX-DQRAZIAOSA-N 0 0 382.485 4.210 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccccc1 ZINC000222568266 570414713 /nfs/dbraw/zinc/41/47/13/570414713.db2.gz BRPIHHOYRJMWBM-OFNKIYASSA-N 0 0 394.559 4.384 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)cc1 ZINC000222583885 570415445 /nfs/dbraw/zinc/41/54/45/570415445.db2.gz LVCWKVMFUNKGHV-UHFFFAOYSA-N 0 0 379.391 4.020 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccc(C)cc3C)s2)cc1 ZINC000222594700 570416027 /nfs/dbraw/zinc/41/60/27/570416027.db2.gz CFJRABIRYFXVTP-AWEZNQCLSA-N 0 0 383.473 4.237 40 0 GIABRN COc1cc(Cl)c([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC ZINC000222603527 570416397 /nfs/dbraw/zinc/41/63/97/570416397.db2.gz OEGBNFGSZGMKFW-FJNPEDAXSA-N 0 0 389.908 4.342 40 0 GIABRN COC(=O)c1cn(C(=O)COc2cccc(C(F)(F)F)c2)c2ccccc12 ZINC000222655120 570418967 /nfs/dbraw/zinc/41/89/67/570418967.db2.gz GYNVRFLBIUXKLY-UHFFFAOYSA-N 0 0 377.318 4.166 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccccn3)N21 ZINC000222670555 570419910 /nfs/dbraw/zinc/41/99/10/570419910.db2.gz JKOOCAAOTJKZHR-UIAACRFSSA-N 0 0 375.501 4.247 40 0 GIABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000222673900 570420260 /nfs/dbraw/zinc/42/02/60/570420260.db2.gz KNCMSTKHTQPMMN-MRXNPFEDSA-N 0 0 386.923 4.215 40 0 GIABRN CC[C@@H](NC(=O)CCc1cccc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000222678813 570420421 /nfs/dbraw/zinc/42/04/21/570420421.db2.gz AEZJGPQLZMNFFS-JOCHJYFZSA-N 0 0 395.524 4.443 40 0 GIABRN COC(=O)c1c2c(sc1NC(=O)CSCc1ccccc1F)CCCC2 ZINC000222701937 570421329 /nfs/dbraw/zinc/42/13/29/570421329.db2.gz OXPFCFWQRCVCQL-UHFFFAOYSA-N 0 0 393.505 4.425 40 0 GIABRN CN(CCNC(=O)CSCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000222725247 570422485 /nfs/dbraw/zinc/42/24/85/570422485.db2.gz OZEFXVCYAMDBSW-UHFFFAOYSA-N 0 0 383.344 4.479 40 0 GIABRN CCCCOc1ccccc1NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O ZINC000001777495 570423176 /nfs/dbraw/zinc/42/31/76/570423176.db2.gz FSWRHZLYHOSZNR-HXUWFJFHSA-N 0 0 394.471 4.125 40 0 GIABRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccccc3)C2=O)cc1 ZINC000101176404 570423618 /nfs/dbraw/zinc/42/36/18/570423618.db2.gz HCYCUAOHHQFOOQ-VSKRKVRLSA-N 0 0 384.435 4.046 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222747621 570423883 /nfs/dbraw/zinc/42/38/83/570423883.db2.gz AEFDRVFNBMPVMM-IBGZPJMESA-N 0 0 380.532 4.178 40 0 GIABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 ZINC000222784922 570425920 /nfs/dbraw/zinc/42/59/20/570425920.db2.gz HJSPIDUOLRDGNU-INIZCTEOSA-N 0 0 386.923 4.215 40 0 GIABRN Cc1ccc(-c2noc(CNC(=O)COc3ccccc3C(C)(C)C)n2)cc1 ZINC000222802383 570426761 /nfs/dbraw/zinc/42/67/61/570426761.db2.gz IAKFOPAGGBAFJN-UHFFFAOYSA-N 0 0 379.460 4.038 40 0 GIABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 ZINC000222886282 570430216 /nfs/dbraw/zinc/43/02/16/570430216.db2.gz REYTXUKZKUSYPZ-WOJBJXKFSA-N 0 0 380.492 4.394 40 0 GIABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 ZINC000222932504 570431980 /nfs/dbraw/zinc/43/19/80/570431980.db2.gz GSKOHPTUSOMOBP-RTWAWAEBSA-N 0 0 392.528 4.206 40 0 GIABRN O=C(NCCSc1n[nH]c(-c2ccccc2)n1)c1ccc(Cl)cc1Cl ZINC000222944421 570432595 /nfs/dbraw/zinc/43/25/95/570432595.db2.gz RTHNFBFKWPTIPH-UHFFFAOYSA-N 0 0 393.299 4.301 40 0 GIABRN Cc1ccccc1N1C(=O)[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccccc2)C1=O ZINC000101178826 570433152 /nfs/dbraw/zinc/43/31/52/570433152.db2.gz GKRZWPGGLFLQQA-VSKRKVRLSA-N 0 0 384.435 4.046 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000222962104 570433473 /nfs/dbraw/zinc/43/34/73/570433473.db2.gz RMDFROVERXXEPI-HSZRJFAPSA-N 0 0 388.511 4.326 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 ZINC000222979228 570434927 /nfs/dbraw/zinc/43/49/27/570434927.db2.gz BQGXIDDKFOBQGC-HXUWFJFHSA-N 0 0 396.531 4.179 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000222986247 570435044 /nfs/dbraw/zinc/43/50/44/570435044.db2.gz JOJGSWGRVNAXDK-HXUWFJFHSA-N 0 0 380.532 4.180 40 0 GIABRN C[C@H]1Cc2cc(Br)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000222985194 570435062 /nfs/dbraw/zinc/43/50/62/570435062.db2.gz AANFXENUBZRVHA-JTQLQIEISA-N 0 0 386.698 4.242 40 0 GIABRN O=c1nc2n(c3ccccc13)[C@@H](CSc1nc3ccccc3s1)CS2 ZINC000027586428 570437232 /nfs/dbraw/zinc/43/72/32/570437232.db2.gz UXFCQXYAEBLTMS-LLVKDONJSA-N 0 0 383.523 4.445 40 0 GIABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000223012489 570437267 /nfs/dbraw/zinc/43/72/67/570437267.db2.gz AOVWVSHUFYIVRE-NRFANRHFSA-N 0 0 386.923 4.150 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(C)c1 ZINC000223056231 570440612 /nfs/dbraw/zinc/44/06/12/570440612.db2.gz MSHLWWQIQXCDPR-NRFANRHFSA-N 0 0 398.572 4.090 40 0 GIABRN COc1ccccc1O[C@H](C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000223109458 570444284 /nfs/dbraw/zinc/44/42/84/570444284.db2.gz APKDQZXJSWTVBY-LLVKDONJSA-N 0 0 389.864 4.273 40 0 GIABRN Cc1nc(-c2cccnc2)sc1C(=O)Nc1cc(-c2cccc(F)c2)[nH]n1 ZINC000223109520 570444305 /nfs/dbraw/zinc/44/43/05/570444305.db2.gz NIBWYNDISXPXHB-UHFFFAOYSA-N 0 0 379.420 4.295 40 0 GIABRN O=C(c1cc2cc3ccccc3nc2s1)N1CCN(Cc2ccccc2)CC1 ZINC000223132360 570445585 /nfs/dbraw/zinc/44/55/85/570445585.db2.gz XZIAANOKGLSSQC-UHFFFAOYSA-N 0 0 387.508 4.408 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1cc(C)cc(C)c1 ZINC000223141728 570446245 /nfs/dbraw/zinc/44/62/45/570446245.db2.gz AOPOWEWVYPLUMP-RTBURBONSA-N 0 0 398.522 4.317 40 0 GIABRN CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1OC ZINC000039857478 570446381 /nfs/dbraw/zinc/44/63/81/570446381.db2.gz FXOQAVNBJCPDJB-PDGQHHTCSA-N 0 0 385.441 4.343 40 0 GIABRN O=C(Cc1ccccc1)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)o2)c1 ZINC000039772751 570446474 /nfs/dbraw/zinc/44/64/74/570446474.db2.gz WBCOMCHEJCILPV-UHFFFAOYSA-N 0 0 398.422 4.170 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl ZINC000223149575 570447354 /nfs/dbraw/zinc/44/73/54/570447354.db2.gz UGXKKGHDSXDZDK-GOSISDBHSA-N 0 0 393.314 4.089 40 0 GIABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCc1ccc(F)cc1 ZINC000223189795 570448641 /nfs/dbraw/zinc/44/86/41/570448641.db2.gz CTJYHKPMNDJIAF-MOSHPQCFSA-N 0 0 394.471 4.283 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1cc(C)cc(C)c1C ZINC000028189412 570451779 /nfs/dbraw/zinc/45/17/79/570451779.db2.gz VMHBNYKSTUEHIG-UHFFFAOYSA-N 0 0 385.489 4.151 40 0 GIABRN O=C(CSCc1ccc(Cl)cc1F)NCc1ccc(-n2ccnc2)cc1 ZINC000223235642 570451941 /nfs/dbraw/zinc/45/19/41/570451941.db2.gz LONGLESDXRMOLT-UHFFFAOYSA-N 0 0 389.883 4.214 40 0 GIABRN COc1cc2c(cc1S(=O)(=O)N[C@H](C)c1ccc3c(c1)CCC3)CCCC2 ZINC000223254549 570453287 /nfs/dbraw/zinc/45/32/87/570453287.db2.gz KVAOOBGOQIGJQD-OAHLLOKOSA-N 0 0 385.529 4.102 40 0 GIABRN COc1ccccc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1ccccc1OC ZINC000004063563 570454162 /nfs/dbraw/zinc/45/41/62/570454162.db2.gz NBHZLWPZRRNUGQ-CKUXNOBLSA-N 0 0 395.499 4.212 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 ZINC000223268232 570454657 /nfs/dbraw/zinc/45/46/57/570454657.db2.gz RHOKCOZLWCRHPW-NRFANRHFSA-N 0 0 398.522 4.399 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000223268116 570454669 /nfs/dbraw/zinc/45/46/69/570454669.db2.gz CQAMRMYFTRZYKH-OAQYLSRUSA-N 0 0 397.515 4.099 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc2c(c1)CCCC2 ZINC000223266255 570454789 /nfs/dbraw/zinc/45/47/89/570454789.db2.gz TXTOUBSHKFSEPJ-NRFANRHFSA-N 0 0 395.499 4.371 40 0 GIABRN COc1ccc([C@@H](C)NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000223272278 570455303 /nfs/dbraw/zinc/45/53/03/570455303.db2.gz SFQOMLLMZQORMO-OAHLLOKOSA-N 0 0 377.506 4.175 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223283544 570456372 /nfs/dbraw/zinc/45/63/72/570456372.db2.gz KBQAJPHELFIRER-IBGZPJMESA-N 0 0 398.522 4.319 40 0 GIABRN CCOC(=O)[C@H]1CC(=O)N(c2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)C1 ZINC000045887175 570458474 /nfs/dbraw/zinc/45/84/74/570458474.db2.gz NXDIJSGQJMKCRN-AWEZNQCLSA-N 0 0 398.846 4.373 40 0 GIABRN CCOC(=O)[C@@H]1CC(=O)N(c2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)C1 ZINC000045887171 570458574 /nfs/dbraw/zinc/45/85/74/570458574.db2.gz NXDIJSGQJMKCRN-CQSZACIVSA-N 0 0 398.846 4.373 40 0 GIABRN CCOC(=O)[C@H]1CC(=O)N(c2cc(-c3nc4ccccc4o3)ccc2Cl)C1 ZINC000045887471 570458593 /nfs/dbraw/zinc/45/85/93/570458593.db2.gz VKVPSEABRCPRNX-ZDUSSCGKSA-N 0 0 384.819 4.064 40 0 GIABRN CC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 ZINC000223334313 570458917 /nfs/dbraw/zinc/45/89/17/570458917.db2.gz RDKJDPXJZSEFSD-DEOSSOPVSA-N 0 0 386.495 4.401 40 0 GIABRN CCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCCOC(C)C)c1ccccc1 ZINC000223340954 570459962 /nfs/dbraw/zinc/45/99/62/570459962.db2.gz NZAWBELBRULHAR-HSZRJFAPSA-N 0 0 396.531 4.098 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1F ZINC000223340695 570460001 /nfs/dbraw/zinc/46/00/01/570460001.db2.gz DHGYSCGKJURBKD-CQSZACIVSA-N 0 0 395.496 4.314 40 0 GIABRN CCOC(=O)c1c(C)onc1-c1c(C)nn(C)c1Oc1ccc(Cl)cc1 ZINC000536554685 570465446 /nfs/dbraw/zinc/46/54/46/570465446.db2.gz DIEPUWQUHYMBML-UHFFFAOYSA-N 0 0 375.812 4.314 40 0 GIABRN CCC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223424431 570465433 /nfs/dbraw/zinc/46/54/33/570465433.db2.gz SQZOBHNLZCFPPA-UGKGYDQZSA-N 0 0 380.532 4.260 40 0 GIABRN Cc1nccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 ZINC000223431649 570465829 /nfs/dbraw/zinc/46/58/29/570465829.db2.gz DHXAPPYPSNHKMJ-QGZVFWFLSA-N 0 0 389.499 4.143 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 ZINC000223448486 570466619 /nfs/dbraw/zinc/46/66/19/570466619.db2.gz IEBNVAKPXDYVFR-OAQYLSRUSA-N 0 0 398.522 4.399 40 0 GIABRN Cc1cc(Br)ccc1-c1oc(/C=C/C(N)=O)cc1Br ZINC000057353793 570467940 /nfs/dbraw/zinc/46/79/40/570467940.db2.gz XNFIYZJVHKQGTC-HWKANZROSA-N 0 0 385.055 4.279 40 0 GIABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSc1ccccc1 ZINC000223515667 570469137 /nfs/dbraw/zinc/46/91/37/570469137.db2.gz YPTLWVSSGLPNKF-IBGZPJMESA-N 0 0 398.572 4.155 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223546663 570470682 /nfs/dbraw/zinc/47/06/82/570470682.db2.gz GFOKZKVOVGIJLE-CQSZACIVSA-N 0 0 393.314 4.089 40 0 GIABRN Cc1cc(C)c(S(=O)(=O)NCc2nc(-c3ccc(C(C)C)cc3)no2)c(C)c1 ZINC000223577822 570472350 /nfs/dbraw/zinc/47/23/50/570472350.db2.gz XSCIXDYQJNPSFT-UHFFFAOYSA-N 0 0 399.516 4.264 40 0 GIABRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)CCN2CCCCC2)c2ccccc2)cc1 ZINC000006522650 570482682 /nfs/dbraw/zinc/48/26/82/570482682.db2.gz OIXVUQFXNMNDDH-QHCPKHFHSA-N 0 0 399.556 4.345 40 0 GIABRN COC(=O)c1c2c(sc1NC(=O)CSCc1ccc(F)cc1)CCCC2 ZINC000030755079 570494786 /nfs/dbraw/zinc/49/47/86/570494786.db2.gz KGVGCOGHUIXEJK-UHFFFAOYSA-N 0 0 393.505 4.425 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)c(Cl)c1Cl ZINC000030756461 570495314 /nfs/dbraw/zinc/49/53/14/570495314.db2.gz CTFBVFMCUZAWBQ-VIFPVBQESA-N 0 0 378.252 4.181 40 0 GIABRN CC(C)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 ZINC000006828772 570496186 /nfs/dbraw/zinc/49/61/86/570496186.db2.gz PXXMGGLCFYLWHY-UHFFFAOYSA-N 0 0 386.517 4.257 40 0 GIABRN O=C1CCCN1c1ccc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000030847927 570497923 /nfs/dbraw/zinc/49/79/23/570497923.db2.gz WGIGODIQPCHZPA-UHFFFAOYSA-N 0 0 399.299 4.062 40 0 GIABRN CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2ccc(F)cc2)cc1OC ZINC000030851513 570498070 /nfs/dbraw/zinc/49/80/70/570498070.db2.gz QZISCHJQDOUGSF-LJQANCHMSA-N 0 0 389.467 4.139 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C3CCCC3)cc2C)cc1 ZINC000030858097 570499308 /nfs/dbraw/zinc/49/93/08/570499308.db2.gz MUWRSUKCLWVBSH-UHFFFAOYSA-N 0 0 386.517 4.119 40 0 GIABRN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)c1 ZINC000000869910 570501776 /nfs/dbraw/zinc/50/17/76/570501776.db2.gz YTCXCHDEMBMZGW-UHFFFAOYSA-N 0 0 386.908 4.483 40 0 GIABRN COC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2)sc1NC(=O)c1ccco1 ZINC000000871573 570502556 /nfs/dbraw/zinc/50/25/56/570502556.db2.gz LVQUSILELARSJZ-UHFFFAOYSA-N 0 0 398.440 4.249 40 0 GIABRN COc1ccc(F)cc1C(=O)CSc1nnc(COc2cccc(C)c2)o1 ZINC000000875855 570503684 /nfs/dbraw/zinc/50/36/84/570503684.db2.gz CISGSCYTMRWYNR-UHFFFAOYSA-N 0 0 388.420 4.080 40 0 GIABRN Cc1cccc([C@@H]2C[C@@]3(CC(C)(C)NC(=S)N3)Oc3cc(O)cc(C)c32)c1 ZINC000000881934 570507862 /nfs/dbraw/zinc/50/78/62/570507862.db2.gz AJDISCJAOFSJGQ-JTSKRJEESA-N 0 0 382.529 4.266 40 0 GIABRN CCOc1cc(NC(=O)c2ccccc2OC)c(OCC)cc1NC(=O)CC ZINC000000881416 570508421 /nfs/dbraw/zinc/50/84/21/570508421.db2.gz AJROMZQXNNFFMQ-UHFFFAOYSA-N 0 0 386.448 4.093 40 0 GIABRN CCCCc1ccc2[nH]c(=NC(=S)NC(=O)c3cccc(F)c3)sc2c1 ZINC000032118863 570509011 /nfs/dbraw/zinc/50/90/11/570509011.db2.gz ALKOPSKHAJCGEX-UHFFFAOYSA-N 0 0 387.505 4.327 40 0 GIABRN Cc1ccccc1NC(=O)[C@H](C)Sc1nnc2c(n1)[nH]c1ccc(F)cc12 ZINC000000886862 570510862 /nfs/dbraw/zinc/51/08/62/570510862.db2.gz WAXMZVCONPXTQT-NSHDSACASA-N 0 0 381.436 4.073 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1Cl ZINC000032585951 570511687 /nfs/dbraw/zinc/51/16/87/570511687.db2.gz DIIBIJSBOVHSKC-UHFFFAOYSA-N 0 0 381.759 4.048 40 0 GIABRN Cc1ccc2cc(C)c3nnc(SCC(=O)N4[C@H](C)CCC[C@H]4C)n3c2c1 ZINC000000903067 570515063 /nfs/dbraw/zinc/51/50/63/570515063.db2.gz TVYZPBMGDFTELO-HZPDHXFCSA-N 0 0 382.533 4.381 40 0 GIABRN O=C(CSc1nc(=O)c2ccsc2[nH]1)Nc1c(Cl)cccc1Cl ZINC000008456539 570516763 /nfs/dbraw/zinc/51/67/63/570516763.db2.gz DTGSBJODWRUQLH-UHFFFAOYSA-N 0 0 386.285 4.022 40 0 GIABRN Cc1cc(Br)ccc1-c1oc(/C=C\C(N)=O)cc1Br ZINC000208755260 570516802 /nfs/dbraw/zinc/51/68/02/570516802.db2.gz XNFIYZJVHKQGTC-HYXAFXHYSA-N 0 0 385.055 4.279 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000224696239 570525217 /nfs/dbraw/zinc/52/52/17/570525217.db2.gz PGSBOAGXIVISCD-GOSISDBHSA-N 0 0 396.506 4.153 40 0 GIABRN Cc1ccccc1CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCC1 ZINC000224702811 570525575 /nfs/dbraw/zinc/52/55/75/570525575.db2.gz ZPLUPDCWBVUPBQ-SFHVURJKSA-N 0 0 396.506 4.153 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 ZINC000224706334 570526018 /nfs/dbraw/zinc/52/60/18/570526018.db2.gz PUTBPBJLQZGOSW-LJQANCHMSA-N 0 0 398.572 4.421 40 0 GIABRN CCc1cccc(C)c1NC(=O)CSc1nnc2c3ccccc3n(C)c2n1 ZINC000000917193 570531767 /nfs/dbraw/zinc/53/17/67/570531767.db2.gz YJWKBNWRXIUBLY-UHFFFAOYSA-N 0 0 391.500 4.118 40 0 GIABRN Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)cc1 ZINC000000917638 570533729 /nfs/dbraw/zinc/53/37/29/570533729.db2.gz NUKYSFMRDBKZFN-UHFFFAOYSA-N 0 0 395.532 4.083 40 0 GIABRN CNC(=S)N(Cc1ccc(Cl)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000920105 570535808 /nfs/dbraw/zinc/53/58/08/570535808.db2.gz MJFVZTXQUVRRDX-UHFFFAOYSA-N 0 0 399.947 4.305 40 0 GIABRN Cc1cc2cc3c(cc2nc1SCC(=O)N1c2ccccc2C[C@H]1C)OCO3 ZINC000000930027 570540357 /nfs/dbraw/zinc/54/03/57/570540357.db2.gz XQAPDTFZWAMSEY-CQSZACIVSA-N 0 0 392.480 4.342 40 0 aggregator GIABRN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 ZINC000148604983 570540361 /nfs/dbraw/zinc/54/03/61/570540361.db2.gz DQHQCGCVOFALJP-QGZVFWFLSA-N 0 0 393.487 4.056 40 0 GIABRN COc1cccc(-c2cs/c(=N\c3cc(C)ccc3C)n2N2CCOCC2)c1 ZINC000022761952 570543307 /nfs/dbraw/zinc/54/33/07/570543307.db2.gz NHIBMPCMEQVICK-FCQUAONHSA-N 0 0 395.528 4.043 40 0 GIABRN Cc1ccccc1NC(=O)CN1CCC(c2nc3cc(C)c(C)cc3[nH]2)CC1 ZINC000035311822 570551567 /nfs/dbraw/zinc/55/15/67/570551567.db2.gz GGGLVCVVXQPAQO-UHFFFAOYSA-N 0 0 376.504 4.306 40 0 GIABRN O=C(Nc1ccccc1C(F)(F)F)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036171649 570557010 /nfs/dbraw/zinc/55/70/10/570557010.db2.gz PGZXSSATVWPJCJ-UHFFFAOYSA-N 0 0 376.378 4.196 40 0 GIABRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cccs3)C2=O)cc1 ZINC000100799231 570558827 /nfs/dbraw/zinc/55/88/27/570558827.db2.gz QKTVQSXOOWUXFK-AQNXPRMDSA-N 0 0 390.464 4.108 40 0 GIABRN Cc1cc(C)n(Cc2ccc(C(=O)NCCSc3ccc(C)cc3)cc2)n1 ZINC000225286175 570561578 /nfs/dbraw/zinc/56/15/78/570561578.db2.gz BKZVIERMICOWOC-UHFFFAOYSA-N 0 0 379.529 4.379 40 0 GIABRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CC ZINC000225313132 570563886 /nfs/dbraw/zinc/56/38/86/570563886.db2.gz MFFKZEHAPHAHJG-QFIPXVFZSA-N 0 0 380.532 4.261 40 0 GIABRN CCOC(=O)c1cc(NC(=S)NCCc2ccc(OC)cc2)ccc1Cl ZINC000225315713 570564348 /nfs/dbraw/zinc/56/43/48/570564348.db2.gz PKDXMGOMABALEU-UHFFFAOYSA-N 0 0 392.908 4.054 40 0 GIABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCCc1ccccc1 ZINC000225326697 570564590 /nfs/dbraw/zinc/56/45/90/570564590.db2.gz UTFVFGDYHNLLSA-PGMHBOJBSA-N 0 0 390.508 4.186 40 0 GIABRN CC(=O)c1cccc(NC(=O)CSc2nc(C3CC3)nc3ccccc32)c1 ZINC000001332615 570569217 /nfs/dbraw/zinc/56/92/17/570569217.db2.gz MBVKDIRMACPSFQ-UHFFFAOYSA-N 0 0 377.469 4.441 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(F)c3)cc2C)cc1 ZINC000010330552 570569336 /nfs/dbraw/zinc/56/93/36/570569336.db2.gz OQTQQEVZXKVGCB-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN Cc1ccc(N(CCCC(=O)Nc2ccccc2Cl)S(C)(=O)=O)cc1C ZINC000010334506 570569473 /nfs/dbraw/zinc/56/94/73/570569473.db2.gz UCKCJDICCZZXID-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN O=C(c1ccccc1F)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000001337091 570570211 /nfs/dbraw/zinc/57/02/11/570570211.db2.gz STTKPAKSNBKHAT-UHFFFAOYSA-N 0 0 385.439 4.051 40 0 GIABRN CCOc1ccc(-c2nnc(N(C)C(=O)CCc3ccc(OC)cc3)s2)cc1 ZINC000001345537 570572217 /nfs/dbraw/zinc/57/22/17/570572217.db2.gz DYIRFBHRWZDAFB-UHFFFAOYSA-N 0 0 397.500 4.208 40 0 GIABRN Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2)C1=O ZINC000214672822 570575653 /nfs/dbraw/zinc/57/56/53/570575653.db2.gz QTGMDVKBNARRPO-WOJGMQOQSA-N 0 0 391.452 4.151 40 0 GIABRN Cc1occc1-c1nnc(SCC(=O)NC(C)(C)C)n1[C@H](C)c1ccccc1 ZINC000001361179 570576051 /nfs/dbraw/zinc/57/60/51/570576051.db2.gz MHPWESYABSUTNU-CQSZACIVSA-N 0 0 398.532 4.463 40 0 GIABRN CCCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccn1 ZINC000001362623 570576865 /nfs/dbraw/zinc/57/68/65/570576865.db2.gz OCQZTPLWFRRDNS-UHFFFAOYSA-N 0 0 387.896 4.134 40 0 GIABRN Cc1cccc2cc(CN(Cc3ccco3)C(=O)N3CCOCC3)c(Cl)nc12 ZINC000001367606 570580037 /nfs/dbraw/zinc/58/00/37/570580037.db2.gz WDGIQDOQGDVMAG-UHFFFAOYSA-N 0 0 399.878 4.244 40 0 GIABRN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2 ZINC000001368684 570580748 /nfs/dbraw/zinc/58/07/48/570580748.db2.gz JRIYQJPKMFZPAG-GJZGRUSLSA-N 0 0 384.549 4.118 40 0 GIABRN CC1(C)Cc2ccccc2-c2nnc(SCC(=O)NC3CCCCCC3)n21 ZINC000001368695 570580751 /nfs/dbraw/zinc/58/07/51/570580751.db2.gz WKGJVGZWZBITNJ-UHFFFAOYSA-N 0 0 384.549 4.167 40 0 GIABRN Cc1cccc2cc(CN(C(=O)c3cccs3)C3CCCC3)c3nnnn3c12 ZINC000001376725 570581738 /nfs/dbraw/zinc/58/17/38/570581738.db2.gz DFFNVCRITCVDHZ-UHFFFAOYSA-N 0 0 391.500 4.232 40 0 GIABRN COc1ccc(NC(=S)N[C@@H](C)COc2ccc(C)cc2)c2cccnc12 ZINC000225643991 570597623 /nfs/dbraw/zinc/59/76/23/570597623.db2.gz HAQHYGVRLMEUKL-HNNXBMFYSA-N 0 0 381.501 4.306 40 0 GIABRN CCCCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccncc1 ZINC000004161394 570620255 /nfs/dbraw/zinc/62/02/55/570620255.db2.gz OGXLYMVAVRORDT-UHFFFAOYSA-N 0 0 385.468 4.010 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)NC2(c3ccccn3)CCCC2)c(C)c1 ZINC000225864788 570628217 /nfs/dbraw/zinc/62/82/17/570628217.db2.gz AITBYGPTPZRZRP-UHFFFAOYSA-N 0 0 383.517 4.323 40 0 GIABRN CC1CCN([C@@H](c2nnnn2Cc2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000004847722 570634421 /nfs/dbraw/zinc/63/44/21/570634421.db2.gz FMNPOIVANULNOZ-HXUWFJFHSA-N 0 0 399.901 4.335 40 0 GIABRN CCc1ccc(NC(=S)N2CCC(NC(=O)c3ccc(C)cc3)CC2)cc1 ZINC000004857577 570638909 /nfs/dbraw/zinc/63/89/09/570638909.db2.gz LFKHLXHMPRZCLI-UHFFFAOYSA-N 0 0 381.545 4.149 40 0 GIABRN CC[C@@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1[C@H](C)c1ccccc1 ZINC000004860779 570640587 /nfs/dbraw/zinc/64/05/87/570640587.db2.gz ZXCXRRKHGAYQDH-HUUCEWRRSA-N 0 0 398.532 4.463 40 0 GIABRN Cc1cccc2cc(CN(C(=O)c3ccccc3)C3CCCC3)c3nnnn3c12 ZINC000004877125 570641669 /nfs/dbraw/zinc/64/16/69/570641669.db2.gz OOWZEAFORDKSPR-UHFFFAOYSA-N 0 0 385.471 4.171 40 0 GIABRN CCCCN(C(=O)CCc1ccc(OC)cc1)c1nnc(-c2cccnc2)s1 ZINC000004881798 570642108 /nfs/dbraw/zinc/64/21/08/570642108.db2.gz MYQNGBYAMWZKKN-UHFFFAOYSA-N 0 0 396.516 4.375 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)c2cn(CC)c3ccc(Cl)cc3c2=O)cc1 ZINC000032607795 570643484 /nfs/dbraw/zinc/64/34/84/570643484.db2.gz DWEYPDHJANBQOL-UHFFFAOYSA-N 0 0 398.846 4.104 40 0 GIABRN COc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1OC ZINC000058871689 570648898 /nfs/dbraw/zinc/64/88/98/570648898.db2.gz YQPFPLGHXCXWGO-UHFFFAOYSA-N 0 0 385.272 4.137 40 0 GIABRN COc1ccc(C2(C(=O)Nc3ccc(Cl)cc3)CCOCC2)cc1OC ZINC000004998490 570650657 /nfs/dbraw/zinc/65/06/57/570650657.db2.gz XZMAOAHOCPQCLM-UHFFFAOYSA-N 0 0 375.852 4.044 40 0 GIABRN COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc(OC)c1OC ZINC000059186135 570651184 /nfs/dbraw/zinc/65/11/84/570651184.db2.gz PIBLPEZRSRZFSZ-MLPAPPSSSA-N 0 0 379.334 4.224 40 0 GIABRN Cc1cc2nc([C@H]3CCCN(C(=S)NCCc4ccccc4)C3)[nH]c2cc1C ZINC000004967252 570654137 /nfs/dbraw/zinc/65/41/37/570654137.db2.gz NIGAYFDHQRUQMB-IBGZPJMESA-N 0 0 392.572 4.476 40 0 GIABRN CCOc1cc(NC(=O)c2ccccc2Br)c(OCC)cc1N ZINC000013564041 570657004 /nfs/dbraw/zinc/65/70/04/570657004.db2.gz ZNFKFORCODVIAW-UHFFFAOYSA-N 0 0 379.254 4.081 40 0 GIABRN C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000005324596 570662098 /nfs/dbraw/zinc/66/20/98/570662098.db2.gz LSELYNHNNZHEKN-VPWBDBDCSA-N 0 0 377.485 4.297 40 0 GIABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(I)cc2C)c1 ZINC000064981750 570664416 /nfs/dbraw/zinc/66/44/16/570664416.db2.gz OKIZCTVITJWJLO-ZDUSSCGKSA-N 0 0 395.240 4.314 40 0 GIABRN COc1cccc([C@@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)c1 ZINC000006678929 570673092 /nfs/dbraw/zinc/67/30/92/570673092.db2.gz DZMWITBXMIBFAR-KUHUBIRLSA-N 0 0 379.485 4.353 40 0 GIABRN COc1ccc([C@@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)cc1 ZINC000006679363 570673579 /nfs/dbraw/zinc/67/35/79/570673579.db2.gz XKAJOWUWFYBNEJ-KUHUBIRLSA-N 0 0 379.485 4.353 40 0 GIABRN O=C(Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)N1CCOCC1 ZINC000041127174 570689942 /nfs/dbraw/zinc/68/99/42/570689942.db2.gz NQBKLCUKSJBVMX-UHFFFAOYSA-N 0 0 391.254 4.203 40 0 GIABRN CC(C)Oc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Cl ZINC000409010850 570693121 /nfs/dbraw/zinc/69/31/21/570693121.db2.gz FPRYAYYQKPDZMZ-LICLKQGHSA-N 0 0 388.826 4.359 40 0 GIABRN Cc1cc(N2C[C@H](C)C[C@H](C)C2)nc(NC(=S)N[C@H](C)c2ccccc2)n1 ZINC000260720851 570700329 /nfs/dbraw/zinc/70/03/29/570700329.db2.gz USXOYNVIGKGECE-HLLBOEOZSA-N 0 0 383.565 4.315 40 0 GIABRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)S1 ZINC000260769298 570703464 /nfs/dbraw/zinc/70/34/64/570703464.db2.gz LLKDZNAIGMDENH-JSNMRZPZSA-N 0 0 376.485 4.167 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(OC)c(OC)cc3OC)N21 ZINC000260762860 570703953 /nfs/dbraw/zinc/70/39/53/570703953.db2.gz HSLHXOZSUAVIEN-GBLZOACLSA-N 0 0 399.516 4.087 40 0 GIABRN Cc1nn(-c2ccc(F)cc2)c2nc3c(cc12)CN(Cc1cccs1)C(=O)O3 ZINC000012755110 570710121 /nfs/dbraw/zinc/71/01/21/570710121.db2.gz PRDYSHPSXOWHLL-UHFFFAOYSA-N 0 0 394.431 4.444 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccccc1Cl ZINC000005558876 570734021 /nfs/dbraw/zinc/73/40/21/570734021.db2.gz LREUGFGZJVAFER-UHFFFAOYSA-N 0 0 392.908 4.075 40 0 GIABRN C[C@]12C(=O)N(c3ccccc3O)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 ZINC000005673901 570735199 /nfs/dbraw/zinc/73/51/99/570735199.db2.gz XTKSKFBQGXFLTL-FEIQLAPHSA-N 0 0 381.431 4.179 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1 ZINC000005925322 570736384 /nfs/dbraw/zinc/73/63/84/570736384.db2.gz NQDVEXHQCPVOTG-UHFFFAOYSA-N 0 0 394.496 4.367 40 0 GIABRN Cc1ccc(C(=O)Nc2cccc(F)c2)cc1S(=O)(=O)Nc1ccccc1 ZINC000006024043 570737079 /nfs/dbraw/zinc/73/70/79/570737079.db2.gz XVIWGRFGBCUNLI-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN COc1ccc(-c2nc(SCC(=O)Nc3ccc(F)c(Cl)c3)n[nH]2)cc1 ZINC000006141911 570738247 /nfs/dbraw/zinc/73/82/47/570738247.db2.gz XOSFHMCAXMAWQJ-UHFFFAOYSA-N 0 0 392.843 4.004 40 0 GIABRN Cn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1F ZINC000006223877 570739473 /nfs/dbraw/zinc/73/94/73/570739473.db2.gz UEJGSNNQASYPMD-UHFFFAOYSA-N 0 0 394.834 4.145 40 0 GIABRN CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3cccc(OC(C)C)c3)CC2=O)cc1 ZINC000006345784 570740847 /nfs/dbraw/zinc/74/08/47/570740847.db2.gz GFDJGYVEGBWXGQ-KRWDZBQOSA-N 0 0 396.487 4.253 40 0 GIABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)cc1Cl ZINC000006205896 570740855 /nfs/dbraw/zinc/74/08/55/570740855.db2.gz XVXXAUPMXZVOOK-UHFFFAOYSA-N 0 0 390.871 4.314 40 0 GIABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2cccc(O[C@H](C)CC)c2)cc1 ZINC000006713211 570749737 /nfs/dbraw/zinc/74/97/37/570749737.db2.gz XSNJRMPSEJZXRB-CQSZACIVSA-N 0 0 399.516 4.339 40 0 GIABRN Cc1c(C=O)c2ccccc2n1CC(=O)Nc1ccc(Br)cc1F ZINC000006714293 570750210 /nfs/dbraw/zinc/75/02/10/570750210.db2.gz ZBCUBIJCLPVCRK-UHFFFAOYSA-N 0 0 389.224 4.303 40 0 GIABRN Cc1nc(NC(=O)c2ccc(C(C)C)cc2)ccc1I ZINC000006960200 570753757 /nfs/dbraw/zinc/75/37/57/570753757.db2.gz RKTCWWVCWOAZER-UHFFFAOYSA-N 0 0 380.229 4.370 40 0 GIABRN Cc1nc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1I ZINC000006960147 570753792 /nfs/dbraw/zinc/75/37/92/570753792.db2.gz IBQJYIRSFLMUNN-RUDMXATFSA-N 0 0 398.631 4.300 40 0 GIABRN CCS(=O)(=O)c1sc2n[nH]c(N)c2c1-c1ccc(-c2ccccc2)cc1 ZINC000096532181 570756179 /nfs/dbraw/zinc/75/61/79/570756179.db2.gz ZUCMHQOVRDFDDQ-UHFFFAOYSA-N 0 0 383.498 4.334 40 0 GIABRN Cc1ccc2cccc(NC(=O)c3cccc(I)c3)c2n1 ZINC000007388871 570758677 /nfs/dbraw/zinc/75/86/77/570758677.db2.gz GRXNUWDJGSSYGI-UHFFFAOYSA-N 0 0 388.208 4.400 40 0 GIABRN Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3C)CC2=O)c1 ZINC000007882447 570762855 /nfs/dbraw/zinc/76/28/55/570762855.db2.gz WEXVSDQPDDNFFE-CQSZACIVSA-N 0 0 387.277 4.058 40 0 GIABRN COC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc(Br)c1 ZINC000013634801 570764722 /nfs/dbraw/zinc/76/47/22/570764722.db2.gz GRNHDNQAGOSKOF-KRWDZBQOSA-N 0 0 398.260 4.261 40 0 GIABRN CCOc1cc(CNn2c(CC)n[nH]c2=S)ccc1OCc1cccs1 ZINC000008339176 570768256 /nfs/dbraw/zinc/76/82/56/570768256.db2.gz AAZBBQHZYXWRKZ-UHFFFAOYSA-N 0 0 390.534 4.286 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccccc2OC)cc1 ZINC000008499958 570769624 /nfs/dbraw/zinc/76/96/24/570769624.db2.gz FIFIFTNRAXZRGX-GOSISDBHSA-N 0 0 385.460 4.448 40 0 GIABRN CSc1ccc(S(=O)(=O)NCCCc2cccc(OC(C)C)c2)cc1 ZINC000013676160 570772253 /nfs/dbraw/zinc/77/22/53/570772253.db2.gz NPMLNLSAQAHHOJ-UHFFFAOYSA-N 0 0 379.547 4.107 40 0 GIABRN CCc1ccccc1NC(=O)[C@H](CC)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711964 570777960 /nfs/dbraw/zinc/77/79/60/570777960.db2.gz ROJYDFRZRIEYES-SFHVURJKSA-N 0 0 394.924 4.086 40 0 GIABRN CC[C@H](C(=O)Nc1cccc(Cl)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716122 570779213 /nfs/dbraw/zinc/77/92/13/570779213.db2.gz FPJMCFWYOQMCDG-GOSISDBHSA-N 0 0 394.924 4.140 40 0 GIABRN COC(=O)c1cc2cc(OC)c(OC)cc2c(-c2ccc(OC)c(OC)c2)c1 ZINC000169457462 570781120 /nfs/dbraw/zinc/78/11/20/570781120.db2.gz UDQCEBZTVIDTRX-UHFFFAOYSA-N 0 0 382.412 4.328 40 0 GIABRN COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000010127887 570783122 /nfs/dbraw/zinc/78/31/22/570783122.db2.gz PPYRUESHEHVMKC-UXBLZVDNSA-N 0 0 377.824 4.026 40 0 GIABRN O=C(CCc1nc(-c2cccc(Cl)c2)no1)NCc1ccc(Cl)cc1 ZINC000169890503 570786476 /nfs/dbraw/zinc/78/64/76/570786476.db2.gz JQHNMQKOWALXEC-UHFFFAOYSA-N 0 0 376.243 4.292 40 0 GIABRN CC(=O)Nc1ccc(NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)cc1 ZINC000170564424 570787739 /nfs/dbraw/zinc/78/77/39/570787739.db2.gz OZVQEFANCYBCTF-UHFFFAOYSA-N 0 0 375.432 4.048 40 0 GIABRN Cc1ccccc1NC(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000010359836 570789606 /nfs/dbraw/zinc/78/96/06/570789606.db2.gz UNGMDQHCABMHLQ-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN COc1cccc(CCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000010543477 570792068 /nfs/dbraw/zinc/79/20/68/570792068.db2.gz YBRVYRCJCCPWSM-UHFFFAOYSA-N 0 0 388.316 4.054 40 0 GIABRN O=S(=O)(NCCCc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000010543389 570792102 /nfs/dbraw/zinc/79/21/02/570792102.db2.gz TURHUDISAIRZPD-UHFFFAOYSA-N 0 0 388.714 4.014 40 0 GIABRN COc1ccc(C2(C(=O)Nc3cccc(Cl)c3)CCOCC2)cc1OC ZINC000013086168 570821036 /nfs/dbraw/zinc/82/10/36/570821036.db2.gz OCXPUUOQCIRQSK-UHFFFAOYSA-N 0 0 375.852 4.044 40 0 GIABRN O=C(CSc1nnc(-c2ccccn2)o1)Nc1ccc(Cl)cc1Cl ZINC000014162128 570825890 /nfs/dbraw/zinc/82/58/90/570825890.db2.gz QPVFXSMGPIKCAT-UHFFFAOYSA-N 0 0 381.244 4.169 40 0 GIABRN O=C1[C@H]2[C@H](C(=O)N1c1ccncc1)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000013152296 570837157 /nfs/dbraw/zinc/83/71/57/570837157.db2.gz IBXQASRNSVVFOE-KAOXLYBCSA-N 0 0 380.447 4.325 40 0 GIABRN COc1ccc(OC)c2[nH]c(=O)c(CNc3cc(-n4cccc4)ccc3C)cc12 ZINC000013568088 570850214 /nfs/dbraw/zinc/85/02/14/570850214.db2.gz GDIGJGMMILYTHV-UHFFFAOYSA-N 0 0 389.455 4.257 40 0 GIABRN CCOC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000014908753 570864850 /nfs/dbraw/zinc/86/48/50/570864850.db2.gz ZEBNQAGFKFOKDL-LBPRGKRZSA-N 0 0 392.249 4.032 40 0 GIABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc(F)c3C)o2)c1 ZINC000013897215 570864992 /nfs/dbraw/zinc/86/49/92/570864992.db2.gz QMHMBQSRDBQWMK-UHFFFAOYSA-N 0 0 387.436 4.135 40 0 GIABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 ZINC000013992690 570868760 /nfs/dbraw/zinc/86/87/60/570868760.db2.gz KQVDLTSMKZJHFQ-SFHVURJKSA-N 0 0 388.467 4.331 40 0 GIABRN COc1ccccc1/C=C/C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000013991506 570868884 /nfs/dbraw/zinc/86/88/84/570868884.db2.gz ILWKLFXVDJYFKZ-FOCLMDBBSA-N 0 0 386.451 4.277 40 0 GIABRN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000014007073 570875117 /nfs/dbraw/zinc/87/51/17/570875117.db2.gz RCNXMXOMUAOOFH-HNNXBMFYSA-N 0 0 386.879 4.372 40 0 GIABRN Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1C ZINC000014002892 570875148 /nfs/dbraw/zinc/87/51/48/570875148.db2.gz BRBICEMGTVCONV-UHFFFAOYSA-N 0 0 380.488 4.337 40 0 GIABRN CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000014121457 570876958 /nfs/dbraw/zinc/87/69/58/570876958.db2.gz SHUMLPVMAOJQBO-UHFFFAOYSA-N 0 0 396.516 4.225 40 0 GIABRN CCN(CC)C(=O)C(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC000014136062 570877414 /nfs/dbraw/zinc/87/74/14/570877414.db2.gz PZRSANAFTXLUEJ-UHFFFAOYSA-N 0 0 398.890 4.425 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000014397760 570883182 /nfs/dbraw/zinc/88/31/82/570883182.db2.gz ZKBXESPTYQOLFY-QGZVFWFLSA-N 0 0 379.504 4.458 40 0 GIABRN COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 ZINC000014397238 570883277 /nfs/dbraw/zinc/88/32/77/570883277.db2.gz KYKNOSJQZRYIHA-CQSZACIVSA-N 0 0 375.852 4.458 40 0 GIABRN O=C(CCc1ccccc1)NC[C@H]1CC[C@H](c2nnc(-c3ccccn3)o2)CC1 ZINC000257217692 570888573 /nfs/dbraw/zinc/88/85/73/570888573.db2.gz DAEBCZMGFWZROH-WGSAOQKQSA-N 0 0 390.487 4.154 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c(C)c1 ZINC000015354423 570892529 /nfs/dbraw/zinc/89/25/29/570892529.db2.gz ZGVWZZWHKQEFSH-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN COc1ccc(-c2noc(CCC(=O)Nc3c(C)cc(C)cc3C)n2)cc1OC ZINC000015577341 570897602 /nfs/dbraw/zinc/89/76/02/570897602.db2.gz DSEJANZKJARSDD-UHFFFAOYSA-N 0 0 395.459 4.250 40 0 GIABRN CCc1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)no1 ZINC000257271110 570899390 /nfs/dbraw/zinc/89/93/90/570899390.db2.gz MWXBQSKHZCYBMF-JOCQHMNTSA-N 0 0 386.477 4.052 40 0 GIABRN CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)ccc1O ZINC000137849933 570903405 /nfs/dbraw/zinc/90/34/05/570903405.db2.gz DTEURNFLCFXMBC-GSAAVPCESA-N 0 0 375.515 4.193 40 0 GIABRN Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)c3ccccc3F)CC2)on1 ZINC000257339073 570909147 /nfs/dbraw/zinc/90/91/47/570909147.db2.gz ZACCAGGXZUDJLQ-WKILWMFISA-N 0 0 396.466 4.226 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1c(C)cccc1C ZINC000015992687 570909849 /nfs/dbraw/zinc/90/98/49/570909849.db2.gz ISQXXAABKZAQKE-UHFFFAOYSA-N 0 0 386.517 4.039 40 0 GIABRN COc1ccc(C2=Nc3nc(SC)nn3[C@H](c3ccccc3)C2)cc1OC ZINC000017077798 570916961 /nfs/dbraw/zinc/91/69/61/570916961.db2.gz XJQNFGXYJFUFCP-INIZCTEOSA-N 0 0 380.473 4.073 40 0 GIABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cccc2c(O)cccc12 ZINC000017079012 570917640 /nfs/dbraw/zinc/91/76/40/570917640.db2.gz FVJCFHFKANPOGW-UHFFFAOYSA-N 0 0 386.860 4.334 40 0 GIABRN COc1ccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc1Cl ZINC000017079014 570917726 /nfs/dbraw/zinc/91/77/26/570917726.db2.gz ZPNUGMLUPRNVIZ-UHFFFAOYSA-N 0 0 386.860 4.334 40 0 GIABRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc(C)cc(C)c2)c1 ZINC000017079570 570917965 /nfs/dbraw/zinc/91/79/65/570917965.db2.gz DPNWPYCWGKZOFC-UHFFFAOYSA-N 0 0 389.908 4.432 40 0 GIABRN Cc1ccc(OCC(=O)Nc2cc(C)c(I)cc2C)cc1 ZINC000017080752 570918349 /nfs/dbraw/zinc/91/83/49/570918349.db2.gz VAZHXEZLAZKGGH-UHFFFAOYSA-N 0 0 395.240 4.234 40 0 GIABRN CCC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000019499683 570926894 /nfs/dbraw/zinc/92/68/94/570926894.db2.gz NTHLCYMDSUUVHZ-HXUWFJFHSA-N 0 0 379.483 4.105 40 0 GIABRN Cc1noc(C)c1CN1CC[C@@]12CCCN(C(=O)c1ccc3ccccc3c1)C2 ZINC000585102280 570930533 /nfs/dbraw/zinc/93/05/33/570930533.db2.gz WASCXWRRCZLYOJ-XMMPIXPASA-N 0 0 389.499 4.325 40 0 GIABRN CC(C)N1Cc2ccccc2CC2(CCN(C(=O)OC3CCCC3)CC2)C1=O ZINC000585105751 570932675 /nfs/dbraw/zinc/93/26/75/570932675.db2.gz ILHOOZIBVWEWQQ-UHFFFAOYSA-N 0 0 384.520 4.141 40 0 GIABRN CC[C@@H](C)C(=O)N1CC2(CCOCC2)c2cc(-c3ccnc(OC)c3)ccc21 ZINC000585105875 570935333 /nfs/dbraw/zinc/93/53/33/570935333.db2.gz WALAHAWVNIKWGJ-MRXNPFEDSA-N 0 0 380.488 4.198 40 0 GIABRN CCCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CCCC1)C2 ZINC000585106606 570936907 /nfs/dbraw/zinc/93/69/07/570936907.db2.gz CRMDKJGZEOTPIZ-QHCPKHFHSA-N 0 0 378.520 4.110 40 0 GIABRN CC(C)c1ccc(CN2CCc3oc(C(=O)N4C[C@H](C)C[C@@H](C)C4)nc3C2)cc1 ZINC000585111524 570941889 /nfs/dbraw/zinc/94/18/89/570941889.db2.gz CQNSEEJVPAKUBJ-QZTJIDSGSA-N 0 0 395.547 4.474 40 0 GIABRN CCNc1nc(NCc2ccc(Br)cc2)cc(C(F)(F)F)n1 ZINC000319510165 570943051 /nfs/dbraw/zinc/94/30/51/570943051.db2.gz CJTLCDDENOFAIJ-UHFFFAOYSA-N 0 0 375.192 4.302 40 0 GIABRN COc1cccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CCC[C@@H]4[C@@H]3C2=O)c1 ZINC000017223975 570943629 /nfs/dbraw/zinc/94/36/29/570943629.db2.gz OHMBYDILZVAUPW-SNHGZMDHSA-N 0 0 386.451 4.347 40 0 GIABRN O=c1[nH]c2ccccc2nc1/C=C/NC(=S)Nc1cc(Cl)ccc1Cl ZINC000017223261 570943653 /nfs/dbraw/zinc/94/36/53/570943653.db2.gz CIQQRHBDZZGNCP-BQYQJAHWSA-N 0 0 391.283 4.187 40 0 GIABRN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000020412137 570946457 /nfs/dbraw/zinc/94/64/57/570946457.db2.gz CQHLYMJMPGFUHZ-UHFFFAOYSA-N 0 0 381.428 4.200 40 0 GIABRN COC(=O)C=C(C)Nc1ccc(Cc2ccc(NC(C)=CC(=O)OC)cc2)cc1 ZINC000017423534 570946863 /nfs/dbraw/zinc/94/68/63/570946863.db2.gz UDAXHNNGKMYRBK-FEUFJANWSA-N 0 0 394.471 4.255 40 0 GIABRN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)/C=C/c2ccc(C(F)(F)F)cc2)[C@H]1C ZINC000245228086 570948533 /nfs/dbraw/zinc/94/85/33/570948533.db2.gz CNIVVOBIMPWAMH-YOANILIBSA-N 0 0 383.410 4.203 40 0 GIABRN Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3Br)n2)cc1 ZINC000018943269 570953896 /nfs/dbraw/zinc/95/38/96/570953896.db2.gz NVHKJBPQHRATJZ-UHFFFAOYSA-N 0 0 386.249 4.379 40 0 GIABRN CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1ccccc1 ZINC000019017575 570954571 /nfs/dbraw/zinc/95/45/71/570954571.db2.gz NLMHLFUHJIZFBV-DNVJHFABSA-N 0 0 376.500 4.086 40 0 GIABRN CC(C)(C)C(=O)N1CCC[C@](Cc2ccc(-c3ccccc3)cc2)(C(N)=O)C1 ZINC000019081132 570956203 /nfs/dbraw/zinc/95/62/03/570956203.db2.gz UGZODCNXKGKKNR-XMMPIXPASA-N 0 0 378.516 4.036 40 0 GIABRN CC(C)(C)C(=O)N1CCc2nc(-c3ccncc3)nc(Nc3ccccc3)c2C1 ZINC000019081537 570956276 /nfs/dbraw/zinc/95/62/76/570956276.db2.gz LZEFQOVIZOXIGJ-UHFFFAOYSA-N 0 0 387.487 4.213 40 0 GIABRN Cc1noc(-c2cnn(C)c2[C@H]2CCCCN2C(=O)Cc2cccc(C)c2)c1C ZINC000019234746 570965644 /nfs/dbraw/zinc/96/56/44/570965644.db2.gz CDSYNNOWDRJULA-HXUWFJFHSA-N 0 0 392.503 4.297 40 0 GIABRN Cc1cccnc1[C@@H](Cc1ccsc1)NCc1cnc(N2CCCCC2)nc1 ZINC000019237658 570967523 /nfs/dbraw/zinc/96/75/23/570967523.db2.gz LESCAVFPBDGMJC-HXUWFJFHSA-N 0 0 393.560 4.305 40 0 GIABRN Cc1cnccc1CN1CCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 ZINC000019239519 570968565 /nfs/dbraw/zinc/96/85/65/570968565.db2.gz CUPZPZRGENLJQK-XOKHGSTOSA-N 0 0 379.430 4.231 40 0 GIABRN Cc1csc2c1nc1n(c2=O)CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000019240306 570968685 /nfs/dbraw/zinc/96/86/85/570968685.db2.gz QUVPXXIHFNKJCN-UHFFFAOYSA-N 0 0 394.327 4.132 40 0 GIABRN COc1ccc2cc(C(=O)N3CC[C@H](c4nc(C)n5c(C)csc45)C3)[nH]c2c1 ZINC000019240527 570969262 /nfs/dbraw/zinc/96/92/62/570969262.db2.gz ISZQKIQZFSREOC-HNNXBMFYSA-N 0 0 394.500 4.132 40 0 GIABRN Cc1nc2ccccc2n1C[C@H](C)C(=O)N[C@H](C)c1nc2ccccc2s1 ZINC000019286728 570970150 /nfs/dbraw/zinc/97/01/50/570970150.db2.gz KUDGKZGCUXQTDI-UONOGXRCSA-N 0 0 378.501 4.468 40 0 GIABRN COc1ccc2c(cc(C(=O)N3CCC[C@@H](c4cc5ncccc5[nH]4)C3)n2C)c1 ZINC000019289744 570971486 /nfs/dbraw/zinc/97/14/86/570971486.db2.gz ZOMQBYPKVDYYFL-OAHLLOKOSA-N 0 0 388.471 4.083 40 0 GIABRN COc1ccccc1CNc1ncc(-c2cccc(F)c2)c(-c2nccn2C)n1 ZINC000019291717 570972162 /nfs/dbraw/zinc/97/21/62/570972162.db2.gz ATUDGKMEVNCJLG-UHFFFAOYSA-N 0 0 389.434 4.304 40 0 GIABRN O=C(CCCOc1cccc(F)c1)N1CCC[C@H]1c1n[nH]cc1-c1ccncc1 ZINC000019294267 570973776 /nfs/dbraw/zinc/97/37/76/570973776.db2.gz CVPVOJZBDJGUNF-FQEVSTJZSA-N 0 0 394.450 4.134 40 0 GIABRN Fc1ccc(-c2nnc(NCc3ccncc3)nc2-c2ccc(F)cc2)cc1 ZINC000019336515 570976656 /nfs/dbraw/zinc/97/66/56/570976656.db2.gz NWFQLPXNIBSXFC-UHFFFAOYSA-N 0 0 375.382 4.491 40 0 GIABRN O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 ZINC000019346087 570977969 /nfs/dbraw/zinc/97/79/69/570977969.db2.gz QEUWBPIIPOAKFP-GFCCVEGCSA-N 0 0 396.447 4.438 40 0 GIABRN O=C(N[C@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1)C1CCCCC1 ZINC000019369305 570980616 /nfs/dbraw/zinc/98/06/16/570980616.db2.gz UODCRWYOVRXOEV-HXUWFJFHSA-N 0 0 379.504 4.018 40 0 GIABRN CCCCCN1CCN([C@@H](CC(=O)c2ccccc2)C(=O)c2ccccc2)CC1 ZINC000019369612 570980646 /nfs/dbraw/zinc/98/06/46/570980646.db2.gz BVDCRVMWNQTQFJ-QHCPKHFHSA-N 0 0 392.543 4.319 40 0 GIABRN O=C(C1CC1)N1CC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 ZINC000019373271 570981135 /nfs/dbraw/zinc/98/11/35/570981135.db2.gz HPOGZVNJXSMKFQ-SFHVURJKSA-N 0 0 385.471 4.008 40 0 GIABRN O=C(N[C@@H](c1ccncc1)c1ccc(Cl)cc1)[C@H]1OCOc2ccccc21 ZINC000019375074 570982035 /nfs/dbraw/zinc/98/20/35/570982035.db2.gz ZGLSAJXKYHFSKI-UXHICEINSA-N 0 0 380.831 4.048 40 0 GIABRN CC(C)CC(=O)N1CCC[C@](Cc2ccc(-c3ccccc3)cc2)(C(N)=O)C1 ZINC000019446293 570983766 /nfs/dbraw/zinc/98/37/66/570983766.db2.gz WIOBVGLEIQBIFW-XMMPIXPASA-N 0 0 378.516 4.036 40 0 GIABRN CC(C)CC(=O)N1CCC[C@@](Cc2cccc(-c3cccc(F)c3)c2)(C(N)=O)C1 ZINC000019446311 570983801 /nfs/dbraw/zinc/98/38/01/570983801.db2.gz PQCSPNWEPFZNOH-DEOSSOPVSA-N 0 0 396.506 4.175 40 0 GIABRN CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)C2CC2)C1 ZINC000019449019 570984835 /nfs/dbraw/zinc/98/48/35/570984835.db2.gz WJXFWGBLJVQPHW-HSZRJFAPSA-N 0 0 396.556 4.111 40 0 GIABRN Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccccc2C(F)(F)F)CC1=O ZINC000242898088 570985912 /nfs/dbraw/zinc/98/59/12/570985912.db2.gz GPWNEQCRRNPCHM-AWEZNQCLSA-N 0 0 376.378 4.314 40 0 GIABRN COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)cc1 ZINC000243057727 570986310 /nfs/dbraw/zinc/98/63/10/570986310.db2.gz IIORUJSXZUASJQ-UHFFFAOYSA-N 0 0 386.879 4.148 40 0 GIABRN C[C@H]1C[C@H]1C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)CC1 ZINC000019462792 570988848 /nfs/dbraw/zinc/98/88/48/570988848.db2.gz DICOWUPBXIEKSO-DRPJVOAASA-N 0 0 394.510 4.066 40 0 GIABRN O=C(NCCCc1ccccc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000244313220 570989691 /nfs/dbraw/zinc/98/96/91/570989691.db2.gz XEPTWKSTFKFCMK-HNNXBMFYSA-N 0 0 391.298 4.095 40 0 GIABRN CCC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2)(C(=O)NC(C)C)C1 ZINC000019498463 570990849 /nfs/dbraw/zinc/99/08/49/570990849.db2.gz QUMAKOVTXJMSSU-XMMPIXPASA-N 0 0 378.516 4.049 40 0 GIABRN CCC(CC)C(=O)N1CC[C@@](Cc2ccc(-c3cccs3)cc2)(C(N)=O)C1 ZINC000019500053 570992001 /nfs/dbraw/zinc/99/20/01/570992001.db2.gz TYLWZMAHNFVHPC-QFIPXVFZSA-N 0 0 384.545 4.098 40 0 GIABRN COc1cccc(C(=O)NCc2ccc(-c3n[nH]cc3-c3ccncc3C)cc2)c1 ZINC000585165389 570993758 /nfs/dbraw/zinc/99/37/58/570993758.db2.gz UYPQSLNEGDDYAG-UHFFFAOYSA-N 0 0 398.466 4.386 40 0 GIABRN CC(C)CC(=O)N1CCC(Cc2cccc(-c3ccccc3)c2)(C(N)=O)CC1 ZINC000585166506 570994372 /nfs/dbraw/zinc/99/43/72/570994372.db2.gz VIPKBTGTGCFYHX-UHFFFAOYSA-N 0 0 378.516 4.036 40 0 GIABRN CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3Cc3ccccn3)cc2n1 ZINC000019522345 570994936 /nfs/dbraw/zinc/99/49/36/570994936.db2.gz QOYRKMIFPHOGQI-INIZCTEOSA-N 0 0 375.398 4.043 40 0 GIABRN CCc1ncc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cn1 ZINC000019523452 570995946 /nfs/dbraw/zinc/99/59/46/570995946.db2.gz QMIQYCHNFOJNNX-DEOSSOPVSA-N 0 0 389.499 4.204 40 0 GIABRN CCNc1nc(Nc2ccc(Br)c(C)c2)cc(C(F)(F)F)n1 ZINC000329029194 570996628 /nfs/dbraw/zinc/99/66/28/570996628.db2.gz PYBSWNROLSXICZ-UHFFFAOYSA-N 0 0 375.192 4.164 40 0 GIABRN CC(C)(C)OC(=O)N1CCN(c2nsc3ccc(Br)cc32)CC1 ZINC000329037963 570996811 /nfs/dbraw/zinc/99/68/11/570996811.db2.gz RQCXGLVPNAOMMN-UHFFFAOYSA-N 0 0 398.326 4.116 40 0 GIABRN Cc1cc(I)c(Br)c(C)c1Br ZINC000065356439 571000285 /nfs/dbraw/zinc/00/02/85/571000285.db2.gz QGXGYNBKVBUCGH-UHFFFAOYSA-N 0 0 389.856 4.433 40 0 GIABRN COc1cccc([C@@H](NC(=O)[C@@H](C)Cn2nc(C)c(C)c2C)c2ccccc2)c1 ZINC000019556901 571003876 /nfs/dbraw/zinc/00/38/76/571003876.db2.gz RFJKVONVOHQSOL-HJPURHCSSA-N 0 0 391.515 4.359 40 0 GIABRN Cc1noc(-c2cn[nH]c2[C@@H]2CCCCN2C(=O)Cc2ccccc2F)c1C ZINC000019557867 571004052 /nfs/dbraw/zinc/00/40/52/571004052.db2.gz MTMCXAXEIOPKBM-SFHVURJKSA-N 0 0 382.439 4.117 40 0 GIABRN Cc1nc([C@@H](Cc2ccsc2)NC(=O)c2cc(C3CC3)nn2C)sc1C ZINC000019559803 571004983 /nfs/dbraw/zinc/00/49/83/571004983.db2.gz VNTSTFQVNJMQRX-MRXNPFEDSA-N 0 0 386.546 4.146 40 0 GIABRN COc1ccc(CCNc2c(-c3cccs3)nc3cnccn32)cc1OC ZINC000019560652 571005307 /nfs/dbraw/zinc/00/53/07/571005307.db2.gz RZWGHPCTSTVXCP-UHFFFAOYSA-N 0 0 380.473 4.130 40 0 GIABRN COc1ccc2cc(CN(Cc3ccco3)Cc3cccnc3)c(OC)nc2c1 ZINC000019563962 571006556 /nfs/dbraw/zinc/00/65/56/571006556.db2.gz FTEVUWZOMGUIEM-UHFFFAOYSA-N 0 0 389.455 4.442 40 0 GIABRN COc1ccc(Cc2cnc(NC(=O)C[C@@H](C)n3nc(C)cc3C)s2)cc1 ZINC000019573160 571010614 /nfs/dbraw/zinc/01/06/14/571010614.db2.gz BBHSPJKTIFJJKC-OAHLLOKOSA-N 0 0 384.505 4.146 40 0 GIABRN COc1ccc2[nH]c(C)c(-c3csc(NC(=O)[C@@H](C)n4ccnc4)n3)c2c1 ZINC000019581505 571013603 /nfs/dbraw/zinc/01/36/03/571013603.db2.gz NBFNJEWHQUJAGT-GFCCVEGCSA-N 0 0 381.461 4.005 40 0 GIABRN CN1CCN(C(=O)C2CCCC2)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O ZINC000019589468 571017268 /nfs/dbraw/zinc/01/72/68/571017268.db2.gz AGKJAOMRQCTKHI-FQEVSTJZSA-N 0 0 396.556 4.065 40 0 GIABRN O=C(CCCc1nc(-c2ccc(F)cc2)no1)N1CC[C@H](c2ccccc2)C1 ZINC000019656483 571023788 /nfs/dbraw/zinc/02/37/88/571023788.db2.gz MTBLEKZQZBPPES-SFHVURJKSA-N 0 0 379.435 4.215 40 0 GIABRN O=C(Cn1cnc2ccccc21)Nc1ccc2c(c1)CN(Cc1ccccc1)C2 ZINC000019657571 571023794 /nfs/dbraw/zinc/02/37/94/571023794.db2.gz CYGVWYHJOLJXMA-UHFFFAOYSA-N 0 0 382.467 4.191 40 0 GIABRN COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3cccc(OC)c3)[nH]n2)cc1 ZINC000019660106 571025341 /nfs/dbraw/zinc/02/53/41/571025341.db2.gz CMPMTXIAEMIRMU-OAQYLSRUSA-N 0 0 377.444 4.071 40 0 GIABRN O=C(CCc1nc2ccccc2[nH]1)N1CCC(COc2ccc(Cl)cc2)CC1 ZINC000019660719 571025809 /nfs/dbraw/zinc/02/58/09/571025809.db2.gz CPOLAIHGITYEHY-UHFFFAOYSA-N 0 0 397.906 4.467 40 0 GIABRN COc1ccc([C@@H](NC(=O)C2(c3cccc(F)c3)CCOCC2)C2CC2)cc1 ZINC000019662027 571026099 /nfs/dbraw/zinc/02/60/99/571026099.db2.gz BMVJOSCVRKNPPK-NRFANRHFSA-N 0 0 383.463 4.150 40 0 GIABRN Cc1cccc(OC2CCN(C(=O)c3ccc4c(c3)ncn4C3CC3)CC2)c1 ZINC000019663261 571026715 /nfs/dbraw/zinc/02/67/15/571026715.db2.gz IMDFMCWTCATFOZ-UHFFFAOYSA-N 0 0 375.472 4.363 40 0 GIABRN Cc1cccn2cc(C(=O)N(Cc3ccccc3)[C@H]3CCOC(C)(C)C3)nc12 ZINC000019665492 571027377 /nfs/dbraw/zinc/02/73/77/571027377.db2.gz LYAYQQOGHUUORV-IBGZPJMESA-N 0 0 377.488 4.243 40 0 GIABRN O=C(CCCc1ccc(F)cc1)N1CCC[C@@H]1c1ccc(-c2cncnc2)cn1 ZINC000019688957 571028675 /nfs/dbraw/zinc/02/86/75/571028675.db2.gz HTFSDOLAAKZCBN-JOCHJYFZSA-N 0 0 390.462 4.364 40 0 GIABRN CC(C)C(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 ZINC000019694531 571030017 /nfs/dbraw/zinc/03/00/17/571030017.db2.gz VFRYYSKQGVVCNK-MRXNPFEDSA-N 0 0 386.927 4.225 40 0 GIABRN O=C(C1CCCC1)N1CCC([C@H]2CC=CCN(Cc3ccccc3)C2=O)CC1 ZINC000019695839 571030124 /nfs/dbraw/zinc/03/01/24/571030124.db2.gz ZTHRAUGCQAGKKU-JOCHJYFZSA-N 0 0 380.532 4.020 40 0 GIABRN C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000019714007 571035629 /nfs/dbraw/zinc/03/56/29/571035629.db2.gz JJYLWSHWISYCKS-ZDUSSCGKSA-N 0 0 375.350 4.297 40 0 GIABRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(Cl)c(N2CCCCC2)c1 ZINC000019714945 571036745 /nfs/dbraw/zinc/03/67/45/571036745.db2.gz FBAMSUHWSLBPBE-CQSZACIVSA-N 0 0 388.943 4.042 40 0 GIABRN O=C(Cc1cccc2cccnc21)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000019716236 571038322 /nfs/dbraw/zinc/03/83/22/571038322.db2.gz KPNFWRHYQAFTKL-HXUWFJFHSA-N 0 0 388.467 4.302 40 0 GIABRN O=C(c1cnc2ccc(F)cc2c1O)N(Cc1ccccn1)C1CCCCC1 ZINC000019716796 571038606 /nfs/dbraw/zinc/03/86/06/571038606.db2.gz WHTPKVMGTBXOIQ-UHFFFAOYSA-N 0 0 379.435 4.037 40 0 GIABRN CC[C@H](c1ccc(F)cc1)N(C)C(=O)c1sc2ncn(CC)c(=O)c2c1C ZINC000019717332 571039418 /nfs/dbraw/zinc/03/94/18/571039418.db2.gz WHSXBFZRBCFPSV-OAHLLOKOSA-N 0 0 387.480 4.149 40 0 GIABRN Fc1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)cc1F ZINC000328958465 571047252 /nfs/dbraw/zinc/04/72/52/571047252.db2.gz AOXRKWZJIIPJPX-UHFFFAOYSA-N 0 0 381.430 4.149 40 0 GIABRN COCCCNC(=O)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1 ZINC000096037822 571096771 /nfs/dbraw/zinc/09/67/71/571096771.db2.gz ZIXJZWNSDKDJOJ-UHFFFAOYSA-N 0 0 395.390 4.055 40 0 GIABRN O=C(c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1)N1CCCCO1 ZINC000096037801 571096938 /nfs/dbraw/zinc/09/69/38/571096938.db2.gz APKDDOSLENXSFE-UHFFFAOYSA-N 0 0 375.384 4.317 40 0 GIABRN O=C(c1ccc2[nH]ccc2c1)N1CCC[C@]2(C[C@@H](Oc3ccccc3)CO2)C1 ZINC000096073638 571098439 /nfs/dbraw/zinc/09/84/39/571098439.db2.gz WVPNSFMSDLDCEX-OFNKIYASSA-N 0 0 376.456 4.011 40 0 GIABRN Cn1c2cc(C(=O)Nc3cccc(F)c3)n(-c3ncccn3)c2c2ccccc21 ZINC000096062668 571098500 /nfs/dbraw/zinc/09/85/00/571098500.db2.gz REJIALWEWXCAPE-UHFFFAOYSA-N 0 0 385.402 4.304 40 0 GIABRN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C)c(C)c2)CC1 ZINC000006026096 817641409 /nfs/dbraw/zinc/64/14/09/817641409.db2.gz VCURSOKWERHURG-UHFFFAOYSA-N 0 0 399.922 4.268 40 0 GIABRN Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 ZINC000006233146 817669595 /nfs/dbraw/zinc/66/95/95/817669595.db2.gz CNTURGINTDSMRU-QGZVFWFLSA-N 0 0 388.533 4.220 40 0 GIABRN C#CCn1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000006295446 817673936 /nfs/dbraw/zinc/67/39/36/817673936.db2.gz MXMIHVAHUKESGC-LDADJPATSA-N 0 0 375.815 4.025 40 0 GIABRN CC(C)c1ccc(/C=C2\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)cc1 ZINC000006346353 817680316 /nfs/dbraw/zinc/68/03/16/817680316.db2.gz FQMQTDRTEFUNNE-WQRHYEAKSA-N 0 0 388.533 4.492 40 0 GIABRN CC1CCN(C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)CC1 ZINC000006348740 817681050 /nfs/dbraw/zinc/68/10/50/817681050.db2.gz KSJGXJRLFIUOHT-QHCPKHFHSA-N 0 0 394.540 4.333 40 0 GIABRN CCn1c(CC(=O)Nc2ccccc2)nnc1SCc1ccc(Cl)cc1 ZINC000006356676 817682728 /nfs/dbraw/zinc/68/27/28/817682728.db2.gz WYDNOGDERUACDW-UHFFFAOYSA-N 0 0 386.908 4.425 40 0 GIABRN O=C(NC(=S)NCc1cccnc1)c1sc2cc(Cl)ccc2c1Cl ZINC000006548196 817703307 /nfs/dbraw/zinc/70/33/07/817703307.db2.gz OUTUAFZIWCRESF-UHFFFAOYSA-N 0 0 396.324 4.408 40 0 GIABRN COc1cc(C(=S)N2CCOCC2)ccc1OCc1cccc2ccccc21 ZINC000006627952 817712182 /nfs/dbraw/zinc/71/21/82/817712182.db2.gz HRWBMBUURULZAC-UHFFFAOYSA-N 0 0 393.508 4.435 40 0 GIABRN CC(C)(C)C(=O)NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000006707974 817716842 /nfs/dbraw/zinc/71/68/42/817716842.db2.gz RGDIFOWWPUNTPB-UHFFFAOYSA-N 0 0 389.908 4.451 40 0 GIABRN Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2)c1 ZINC000006867517 817720970 /nfs/dbraw/zinc/72/09/70/817720970.db2.gz IQJAYTOQGZIQTK-UHFFFAOYSA-N 0 0 397.430 4.475 40 0 GIABRN CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)N3CCC(C)CC3)c21 ZINC000006945320 817727859 /nfs/dbraw/zinc/72/78/59/817727859.db2.gz GWJJRECCGWPJTN-UHFFFAOYSA-N 0 0 380.410 4.207 40 0 GIABRN CCN1C2=C(C(=O)CCC2)C(c2ccc(Br)o2)C2=C1CCCC2=O ZINC000006953056 817728351 /nfs/dbraw/zinc/72/83/51/817728351.db2.gz PFYWUISLKXJZPO-UHFFFAOYSA-N 0 0 390.277 4.475 40 0 GIABRN COC(=O)c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CCO[C@@H]21 ZINC000006950718 817728640 /nfs/dbraw/zinc/72/86/40/817728640.db2.gz FWFRSOFDYRAZPT-HFTRVMKXSA-N 0 0 388.261 4.480 40 0 GIABRN CCOc1ccc(C[C@@H]2SC(=O)N(Cc3ccccc3)C2=O)c(OCC)c1 ZINC000006961780 817729701 /nfs/dbraw/zinc/72/97/01/817729701.db2.gz PHDSNUOWOSTLIY-IBGZPJMESA-N 0 0 385.485 4.291 40 0 GIABRN CCOc1ccc(NC(=O)Cn2nc(COc3cccc(C)c3)oc2=S)cc1 ZINC000006963095 817729741 /nfs/dbraw/zinc/72/97/41/817729741.db2.gz FKESRCVQFDUVHR-UHFFFAOYSA-N 0 0 399.472 4.130 40 0 GIABRN COC(=O)c1ccc(-n2c(C)cc(/C=C3\c4ccccc4N(C)C3=O)c2C)cc1 ZINC000006961577 817729780 /nfs/dbraw/zinc/72/97/80/817729780.db2.gz FTGAHOVWOYGLRU-KGENOOAVSA-N 0 0 386.451 4.398 40 0 GIABRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O ZINC000007078096 817754824 /nfs/dbraw/zinc/75/48/24/817754824.db2.gz GMYYDAQSKJPNDT-CVSYOPMASA-N 0 0 388.272 4.371 40 0 GIABRN CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC ZINC000007078390 817754844 /nfs/dbraw/zinc/75/48/44/817754844.db2.gz FTSIHWGKJCBVAM-QUYZQLMHSA-N 0 0 394.471 4.274 40 0 GIABRN CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(CC(=O)O[C@@H](C)CC)C1=O ZINC000007077969 817754888 /nfs/dbraw/zinc/75/48/88/817754888.db2.gz FMPGAPGHIZVTFL-ZRRZQRFHSA-N 0 0 397.880 4.117 40 0 GIABRN COc1ccccc1CNC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000007604373 817878044 /nfs/dbraw/zinc/87/80/44/817878044.db2.gz QSSSGNGJYBZDJS-UHFFFAOYSA-N 0 0 384.435 4.114 40 0 GIABRN COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)cc1 ZINC000007605376 817878258 /nfs/dbraw/zinc/87/82/58/817878258.db2.gz SJINQEWSERUKFF-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN Cc1cccc(C)c1N1C[C@H](C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)CC1=O ZINC000007881631 817949494 /nfs/dbraw/zinc/94/94/94/817949494.db2.gz QVHHPVKKUPYRMZ-NVXWUHKLSA-N 0 0 399.874 4.124 40 0 GIABRN O=C(Nc1ccccc1C(F)(F)F)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000007882244 817949511 /nfs/dbraw/zinc/94/95/11/817949511.db2.gz FYILYQUIGFJKKS-NSHDSACASA-N 0 0 382.769 4.350 40 0 GIABRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Cl)c1OC ZINC000007893694 817953279 /nfs/dbraw/zinc/95/32/79/817953279.db2.gz SXOSETIHCBLKBO-GIJQJNRQSA-N 0 0 394.771 4.010 40 0 GIABRN CCc1ccccc1NC(=O)COc1ccc(C(=S)N2CCCCC2)cc1 ZINC000008088346 817997807 /nfs/dbraw/zinc/99/78/07/817997807.db2.gz UCMYQBPXBQCFRZ-UHFFFAOYSA-N 0 0 382.529 4.428 40 0 GIABRN CCOC(=O)c1ccc(CSc2nnc(Cc3ccccc3)n2CC)cc1 ZINC000008090554 817998253 /nfs/dbraw/zinc/99/82/53/817998253.db2.gz YIMHZAPQHAZUNJ-UHFFFAOYSA-N 0 0 381.501 4.358 40 0 GIABRN CN1C2=C(C(=O)CCC2)C(c2ccc(Br)o2)C2=C1CCCC2=O ZINC000008091665 817999002 /nfs/dbraw/zinc/99/90/02/817999002.db2.gz RXNVQBFNMJYMIY-UHFFFAOYSA-N 0 0 376.250 4.085 40 0 GIABRN C[C@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000008221603 818019897 /nfs/dbraw/zinc/01/98/97/818019897.db2.gz XKMJIWZIZNOQFX-KRWDZBQOSA-N 0 0 394.496 4.003 40 0 GIABRN Cc1c(Cl)cccc1NC(=O)Cn1nc(COc2ccccc2)oc1=S ZINC000008278440 818028616 /nfs/dbraw/zinc/02/86/16/818028616.db2.gz PWWWDYJZRJKYGE-UHFFFAOYSA-N 0 0 389.864 4.385 40 0 GIABRN CC[C@@H](Sc1nc(=O)c2c3c(sc2[nH]1)CCCC3)C(=O)Nc1ccccc1 ZINC000011259401 818066611 /nfs/dbraw/zinc/06/66/11/818066611.db2.gz ZRXXIOSDXUUBJZ-CQSZACIVSA-N 0 0 399.541 4.373 40 0 GIABRN CCOc1cc(C=C2SC(Nc3ccc(OC)cc3)=NC2=O)ccc1OC ZINC000016440289 818442210 /nfs/dbraw/zinc/44/22/10/818442210.db2.gz OOHWXMPXTSKIRT-PDGQHHTCSA-N 0 0 384.457 4.185 40 0 GIABRN Cc1cc(C)c(NC(=O)CNC(=O)C23C[C@H]4C[C@H](CC(Cl)(C4)C2)C3)c(C)c1 ZINC000018281970 818563628 /nfs/dbraw/zinc/56/36/28/818563628.db2.gz XCENQYYAYNJLIE-RGMRCXJASA-N 0 0 388.939 4.244 40 0 GIABRN CO[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3Cc2ccccc2)C1 ZINC000019461664 818592517 /nfs/dbraw/zinc/59/25/17/818592517.db2.gz RYYOHVNNKMYFDP-SFHLNBCPSA-N 0 0 395.547 4.266 40 0 GIABRN COc1cc(C)ccc1CN1CCO[C@@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000019693260 818599903 /nfs/dbraw/zinc/59/99/03/818599903.db2.gz ICOWUGBTLCVPSD-OAQYLSRUSA-N 0 0 393.462 4.173 40 0 GIABRN CCn1cc(CN2CCO[C@@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)cn1 ZINC000019693616 818599957 /nfs/dbraw/zinc/59/99/57/818599957.db2.gz NLOUMFHMGCLQFB-OAQYLSRUSA-N 0 0 382.895 4.192 40 0 GIABRN CCN(C(C)=O)[C@@H]1CN(C(=O)c2ccc3nc(C)sc3c2)C2(C1)CCCCC2 ZINC000019703880 818600701 /nfs/dbraw/zinc/60/07/01/818600701.db2.gz UMWGRCDINWTJCC-SFHVURJKSA-N 0 0 399.560 4.391 40 0 GIABRN Fc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCc3ccccc3C2)cc1 ZINC000020120947 818614613 /nfs/dbraw/zinc/61/46/13/818614613.db2.gz CWZVBGKISLFJKT-QFIPXVFZSA-N 0 0 391.494 4.465 40 0 GIABRN C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)c2ccccc21 ZINC000031903868 820873032 /nfs/dbraw/zinc/87/30/32/820873032.db2.gz ZOWSVXDFVPHNMU-BLLLJJGKSA-N 0 0 382.323 4.459 40 0 GIABRN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccccc1Br ZINC000044718495 821649410 /nfs/dbraw/zinc/64/94/10/821649410.db2.gz LMOLNOVGMJUYFR-UHFFFAOYSA-N 0 0 375.266 4.183 40 0 GIABRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000164606913 823812235 /nfs/dbraw/zinc/81/22/35/823812235.db2.gz HYHJYMFTOYTEQP-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN O=S1(=O)CC[C@@H](N(Cc2ccco2)C(c2ccccc2)c2ccccc2)C1 ZINC000575422643 823969441 /nfs/dbraw/zinc/96/94/41/823969441.db2.gz VRDPXRRRAKGDGO-HXUWFJFHSA-N 0 0 381.497 4.058 40 0 GIABRN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCCc1ccc(F)cc1 ZINC000010543341 230875364 /nfs/dbraw/zinc/87/53/64/230875364.db2.gz DBDGLEPDVIXBQB-UHFFFAOYSA-N 0 0 376.280 4.185 40 0 GIABRN Cc1c(Cl)cccc1NC(=O)CSc1nnc(COc2ccccc2)o1 ZINC000059200420 230943016 /nfs/dbraw/zinc/94/30/16/230943016.db2.gz ZVZNXOAGXYJCDM-UHFFFAOYSA-N 0 0 389.864 4.341 40 0 GIABRN COc1ccc(-c2cc(-c3nn4c(nnc4-c4ccsc4)s3)no2)cc1F ZINC000066088289 230949035 /nfs/dbraw/zinc/94/90/35/230949035.db2.gz KACJUMPFCMHGCY-UHFFFAOYSA-N 0 0 399.432 4.384 40 0 GIABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 ZINC000222886552 222618133 /nfs/dbraw/zinc/61/81/33/222618133.db2.gz WGQWCPHNKMHPLA-WOJBJXKFSA-N 0 0 380.492 4.394 40 0 GIABRN CCn1c(SCC(=O)Nc2cccc(F)c2C)nnc1-c1cccc(C)c1 ZINC000175351373 231028772 /nfs/dbraw/zinc/02/87/72/231028772.db2.gz PKRLVAIRVPDILC-UHFFFAOYSA-N 0 0 384.480 4.452 40 0 GIABRN Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000102301563 231011844 /nfs/dbraw/zinc/01/18/44/231011844.db2.gz CYQSUAAOZKUPHT-IRXDYDNUSA-N 0 0 394.858 4.356 40 0 GIABRN Fc1cccc(Cl)c1Nc1cc(-c2cccnc2)nc(NC2CCCC2)n1 ZINC000329063303 231047839 /nfs/dbraw/zinc/04/78/39/231047839.db2.gz XCBODSWRTUNNQM-UHFFFAOYSA-N 0 0 383.858 4.273 40 0 GIABRN Cc1ccccc1OCCn1cc(C(=O)C(=O)N2CCCCC2)c2ccccc21 ZINC000408569842 231065696 /nfs/dbraw/zinc/06/56/96/231065696.db2.gz JYENROVUPHBLFT-UHFFFAOYSA-N 0 0 390.483 4.224 40 0 GIABRN Cc1csc2[nH]c(SCC(=O)Nc3cccc(Cl)c3C)nc(=O)c12 ZINC000408595624 231073337 /nfs/dbraw/zinc/07/33/37/231073337.db2.gz KOWNHEGNNOCZJT-UHFFFAOYSA-N 0 0 379.894 4.398 40 0 GIABRN Cc1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1C ZINC000408660901 231092286 /nfs/dbraw/zinc/09/22/86/231092286.db2.gz LZHURQIISCYNEH-CQSZACIVSA-N 0 0 388.261 4.024 40 0 GIABRN Cc1cccc(C)c1NC(=O)c1ccccc1N1C(=O)[C@H]2CC=C(C)C[C@@H]2C1=O ZINC000408682912 231094604 /nfs/dbraw/zinc/09/46/04/231094604.db2.gz LROCWPOEHKKSKV-HKUYNNGSSA-N 0 0 388.467 4.401 40 0 GIABRN CCn1c2ccccc2nc1SC(=O)c1cc(Br)ccc1O ZINC000408692696 231095437 /nfs/dbraw/zinc/09/54/37/231095437.db2.gz SHZPOXUYWOHDDN-UHFFFAOYSA-N 0 0 377.263 4.457 40 0 GIABRN Cc1ccccc1-n1nc(C(=O)OCC(=O)c2ccccc2)nc1-c1ccccc1 ZINC000408698459 231096875 /nfs/dbraw/zinc/09/68/75/231096875.db2.gz PRPZHWRPIWBTJE-UHFFFAOYSA-N 0 0 397.434 4.282 40 0 GIABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3N3CCC(C)CC3)CC2=O)cc1 ZINC000408706726 231100399 /nfs/dbraw/zinc/10/03/99/231100399.db2.gz CSZYITYIAYOXST-IBGZPJMESA-N 0 0 391.515 4.223 40 0 GIABRN O=C(NCCC1CCCCC1)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000408707249 231100669 /nfs/dbraw/zinc/10/06/69/231100669.db2.gz LTKDHFIIOFFYOW-UHFFFAOYSA-N 0 0 378.516 4.021 40 0 GIABRN Cc1c(Cl)cccc1N1C[C@H](C(=O)NCCCCc2ccccc2)CC1=O ZINC000408708892 231101656 /nfs/dbraw/zinc/10/16/56/231101656.db2.gz VCDZKUJZJDEDCT-GOSISDBHSA-N 0 0 384.907 4.140 40 0 GIABRN O=C(NCCCCc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000408709428 231102278 /nfs/dbraw/zinc/10/22/78/231102278.db2.gz SUVZHYFJDYQSFA-UHFFFAOYSA-N 0 0 398.812 4.436 40 0 GIABRN O=C1/C(=C\c2ccncc2)N=C(c2ccc(Cl)cc2)N1c1ccc(O)cc1 ZINC000408840958 231120483 /nfs/dbraw/zinc/12/04/83/231120483.db2.gz DWWUDOLIIOXSEI-CPNJWEJPSA-N 0 0 375.815 4.275 40 0 GIABRN Cc1nc2cc(C(=O)Nc3ccc(I)cc3)ccc2s1 ZINC000408976399 231139977 /nfs/dbraw/zinc/13/99/77/231139977.db2.gz FNPXBLSTQSUPQD-UHFFFAOYSA-N 0 0 394.237 4.462 40 0 GIABRN Cc1cc(Br)c(NC(=O)CCNC(=O)Oc2ccccc2)cc1C ZINC000409003803 231145309 /nfs/dbraw/zinc/14/53/09/231145309.db2.gz VAXYPCCBQDEUTE-UHFFFAOYSA-N 0 0 391.265 4.183 40 0 GIABRN C[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1ccc(C(C)(C)C)cc1)N2 ZINC000409062456 231152953 /nfs/dbraw/zinc/15/29/53/231152953.db2.gz VECAZDKWKKNVBU-YFROIQMUSA-N 0 0 382.426 4.483 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1Cl ZINC000409182199 231175352 /nfs/dbraw/zinc/17/53/52/231175352.db2.gz JFOIHLRGGUSWQY-UHFFFAOYSA-N 0 0 390.848 4.295 40 0 GIABRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4ccc(F)cc4)o3)C2=O)c1 ZINC000409230194 231184592 /nfs/dbraw/zinc/18/45/92/231184592.db2.gz CIHFVDALAWCXTC-XDHOZWIPSA-N 0 0 376.387 4.487 40 0 GIABRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(F)c3)C2=O)c1 ZINC000409328022 231190095 /nfs/dbraw/zinc/19/00/95/231190095.db2.gz YEXACNBJMMLDTE-LICLKQGHSA-N 0 0 384.432 4.118 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccccc2F)cc1 ZINC000409338779 231191779 /nfs/dbraw/zinc/19/17/79/231191779.db2.gz AVCFAPCNIYJAEM-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2cccc(F)c2)cc1 ZINC000409344250 231192505 /nfs/dbraw/zinc/19/25/05/231192505.db2.gz INOBQZOUZMGENZ-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN Cc1cccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)n2C)c1 ZINC000409340007 231192774 /nfs/dbraw/zinc/19/27/74/231192774.db2.gz OLIUTJBEFDBTQA-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2C)c1C ZINC000409380468 231198892 /nfs/dbraw/zinc/19/88/92/231198892.db2.gz FCABQGRCCLVAKS-UHFFFAOYSA-N 0 0 386.517 4.039 40 0 GIABRN COc1ccc(CN(C(=O)C(C)C)[C@@H](C)C(=O)NCCC2=CCCCC2)cc1 ZINC000222983980 222622372 /nfs/dbraw/zinc/62/23/72/222622372.db2.gz QZTPRDUCXVQFAR-SFHVURJKSA-N 0 0 386.536 4.075 40 0 GIABRN CCc1ccc(C2=NN(C(=O)c3cccc(C)c3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000409089599 529618885 /nfs/dbraw/zinc/61/88/85/529618885.db2.gz OFGZSERYFAGMAE-LJQANCHMSA-N 0 0 376.378 4.059 40 0 GIABRN CC(C)(C)c1ccccc1OCCNS(=O)(=O)Cc1ccccc1Cl ZINC000223700994 222641160 /nfs/dbraw/zinc/64/11/60/222641160.db2.gz RGQQKVUVZHMVGV-UHFFFAOYSA-N 0 0 381.925 4.136 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1C ZINC000223718600 222642640 /nfs/dbraw/zinc/64/26/40/222642640.db2.gz AUTGSTNMKJVBLU-JOCHJYFZSA-N 0 0 394.559 4.302 40 0 GIABRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCC ZINC000225288211 222672879 /nfs/dbraw/zinc/67/28/79/222672879.db2.gz KMDHEBAZDMNAAQ-QFIPXVFZSA-N 0 0 380.532 4.343 40 0 GIABRN C[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccc(F)cc1 ZINC000225292062 222674047 /nfs/dbraw/zinc/67/40/47/222674047.db2.gz FFWSGWKSSZKKMN-CPOQMQJTSA-N 0 0 378.403 4.067 40 0 GIABRN CCOc1ccc(CCCNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 ZINC000225291841 222674337 /nfs/dbraw/zinc/67/43/37/222674337.db2.gz CIHULYHOSNKNKS-UHFFFAOYSA-N 0 0 391.515 4.310 40 0 GIABRN CN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(Cl)c2)N(C)C1=S ZINC000409038919 530039696 /nfs/dbraw/zinc/03/96/96/530039696.db2.gz PWJQFOXZXAZMGM-YBEGLDIGSA-N 0 0 390.867 4.088 40 0 GIABRN Cc1cc2nc(N)sc2c(C)c1NC(=O)COc1ccc(Cl)c(C)c1 ZINC000045890276 203795913 /nfs/dbraw/zinc/79/59/13/203795913.db2.gz GRKABHLACQEPLW-UHFFFAOYSA-N 0 0 375.881 4.475 40 0 GIABRN Cc1ccc(Nc2cc(-c3ccccn3)nc(NC(C)C)n2)c(Br)c1 ZINC000328983723 203768656 /nfs/dbraw/zinc/76/86/56/203768656.db2.gz HJELVWBZIPIWBE-UHFFFAOYSA-N 0 0 398.308 4.017 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2cccc(Br)c2)cc(-c2ccccn2)n1 ZINC000329038087 203771334 /nfs/dbraw/zinc/77/13/34/203771334.db2.gz RRBBPYHUOJHOKD-CYBMUJFWSA-N 0 0 398.308 4.099 40 0 GIABRN FC(F)(F)c1cc(Nc2ccccc2C(F)(F)F)nc(NC2CCCC2)n1 ZINC000329013114 203771343 /nfs/dbraw/zinc/77/13/43/203771343.db2.gz MOYKGANEXMVEFK-UHFFFAOYSA-N 0 0 390.331 4.456 40 0 GIABRN CCOc1cc(CO)cc(I)c1OCc1ccccc1C ZINC000216826545 203784643 /nfs/dbraw/zinc/78/46/43/203784643.db2.gz GJMBSQYLGKZFTK-UHFFFAOYSA-N 0 0 398.240 4.070 40 0 GIABRN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000036092249 203787220 /nfs/dbraw/zinc/78/72/20/203787220.db2.gz BJSBXPXLDMQKSN-LOHFZDIYSA-N 0 0 379.843 4.231 40 0 GIABRN CC1(C)Oc2ccc(C(=O)NC3CCCC3)cc2N(Cc2ccccc2)C1=O ZINC000001342322 203793654 /nfs/dbraw/zinc/79/36/54/203793654.db2.gz JCIFMVPWTAPZQN-UHFFFAOYSA-N 0 0 378.472 4.063 40 0 GIABRN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc3c(n2)[C@]2(C)CC[C@H]3C2(C)C)cc1 ZINC000001224907 203897669 /nfs/dbraw/zinc/89/76/69/203897669.db2.gz ZXFFBBRSFHKUMQ-VWLHBSKXSA-N 0 0 382.533 4.474 40 0 GIABRN Cc1cccn2c1nc(-c1cc3cccc(C)c3[nH]c1=O)c2NC[C@H]1CCCO1 ZINC000001330097 203901601 /nfs/dbraw/zinc/90/16/01/203901601.db2.gz ZUMDLDQUOMIPSR-QGZVFWFLSA-N 0 0 388.471 4.051 40 0 GIABRN CCOc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3C)C3CC3)cc2c1 ZINC000001364850 203902970 /nfs/dbraw/zinc/90/29/70/203902970.db2.gz AXZPYNALUIIQNN-UHFFFAOYSA-N 0 0 376.456 4.040 40 0 GIABRN CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1cccs1 ZINC000003596441 204014662 /nfs/dbraw/zinc/01/46/62/204014662.db2.gz UWQKFFTZUANTLL-UHFFFAOYSA-N 0 0 378.910 4.411 40 0 GIABRN Ic1cccc2c(I)cccc12 ZINC000067734151 204015568 /nfs/dbraw/zinc/01/55/68/204015568.db2.gz KFRJPQOLRHRVIS-UHFFFAOYSA-N 0 0 379.966 4.049 40 0 GIABRN COc1ccc(-c2cc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)no2)cc1OC ZINC000004035350 204023677 /nfs/dbraw/zinc/02/36/77/204023677.db2.gz QHIPQNVMPVSFGX-IVZQSRNASA-N 0 0 384.476 4.400 40 0 GIABRN CC1=C(C(=O)O[C@H]2CCC[C@@H]2C)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000004066651 204026207 /nfs/dbraw/zinc/02/62/07/204026207.db2.gz KRJPCGDXFZRYNL-AUYAEMIRSA-N 0 0 383.275 4.353 40 0 GIABRN CC1=C(C(=O)O[C@H]2CCC[C@H](C)C2)[C@@H](c2ccccc2Cl)NC(=O)N1C ZINC000004109008 204027540 /nfs/dbraw/zinc/02/75/40/204027540.db2.gz AHRWKYDRIZUOFZ-XAYKYTGQSA-N 0 0 376.884 4.432 40 0 GIABRN Oc1ccc(O[C@]2(F)C(F)(F)C(F)(F)[C@@]2(F)Oc2ccc(O)cc2)cc1 ZINC000004716423 204068042 /nfs/dbraw/zinc/06/80/42/204068042.db2.gz ZHYIEGJJYBHJHS-HZPDHXFCSA-N 0 0 380.240 4.171 40 0 GIABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)[C@@H]([C@H](O)C(F)(F)F)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000004804010 204076598 /nfs/dbraw/zinc/07/65/98/204076598.db2.gz HTYHKJJOVXZDHV-VHVVVROESA-N 0 0 388.470 4.108 40 0 GIABRN CCOC(=O)c1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Cl)cc23)cc1 ZINC000004852773 204083260 /nfs/dbraw/zinc/08/32/60/204083260.db2.gz GCSZSUAACWSAKM-JXFKEZNVSA-N 0 0 386.835 4.286 40 0 GIABRN CN(C)c1nc(OCc2ccccc2Cl)nc2c1CCN2c1ccccc1 ZINC000004623512 204058571 /nfs/dbraw/zinc/05/85/71/204058571.db2.gz OFULNDSGYWBONO-UHFFFAOYSA-N 0 0 380.879 4.469 40 0 GIABRN Cc1ccccc1N1C(=S)N=NC1Cn1c2ccccc2nc1-c1ccccn1 ZINC000004629452 204059311 /nfs/dbraw/zinc/05/93/11/204059311.db2.gz PSGZKULGWWYQQK-UHFFFAOYSA-N 0 0 398.495 4.324 40 0 GIABRN CCOC(=O)c1nc2sc3c(c2c(Nc2ccccc2OC)n1)CCCC3 ZINC000005332694 204126225 /nfs/dbraw/zinc/12/62/25/204126225.db2.gz KTKDJPIOCLCWCY-UHFFFAOYSA-N 0 0 383.473 4.499 40 0 GIABRN O=C(N[C@H]1CCC[C@H]2[C@H]1CCC[C@@H]2NC(=O)c1ccccc1)c1ccccc1 ZINC000005053190 204106631 /nfs/dbraw/zinc/10/66/31/204106631.db2.gz DXAWPSINMCXEFR-LRSLUSHPSA-N 0 0 376.500 4.184 40 0 GIABRN Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000035289376 204148945 /nfs/dbraw/zinc/14/89/45/204148945.db2.gz KXAIMHXSZXIXNL-KRWDZBQOSA-N 0 0 375.831 4.423 40 0 GIABRN CC(=O)c1nn(-c2ccc(Cl)cc2Cl)/c(=N/C(=O)c2ccccc2)s1 ZINC000005726498 204149043 /nfs/dbraw/zinc/14/90/43/204149043.db2.gz KPKWGSCZZXMVAL-JZJYNLBNSA-N 0 0 392.267 4.184 40 0 GIABRN COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2cccc3c2CCCC3)cc1 ZINC000035289397 204149101 /nfs/dbraw/zinc/14/91/01/204149101.db2.gz YRFUFWDQKWMUKF-OAQYLSRUSA-N 0 0 393.487 4.209 40 0 GIABRN CCCCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000005946135 204158066 /nfs/dbraw/zinc/15/80/66/204158066.db2.gz IILZYANDTHVQPF-UHFFFAOYSA-N 0 0 393.531 4.476 40 0 GIABRN Cc1ccc(C(C)C)c(OCC(=O)N2CCN(c3cccc(C)c3C)CC2)c1 ZINC000006123659 204165324 /nfs/dbraw/zinc/16/53/24/204165324.db2.gz WFOBUQIISPGDKW-UHFFFAOYSA-N 0 0 380.532 4.463 40 0 GIABRN O=C(Cc1noc(COc2cccc(Cl)c2)n1)Nc1ccccc1Cl ZINC000035316259 204168628 /nfs/dbraw/zinc/16/86/28/204168628.db2.gz IGPXRBJMOSIYFM-UHFFFAOYSA-N 0 0 378.215 4.137 40 0 GIABRN CN(CCOc1ccc(F)cc1)C(=O)c1ccc2c(c1)nnn2C1CCCCC1 ZINC000035322647 204169131 /nfs/dbraw/zinc/16/91/31/204169131.db2.gz MCZSDVDAUNJDPT-UHFFFAOYSA-N 0 0 396.466 4.227 40 0 GIABRN O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc(Br)cc1 ZINC000006221412 204171405 /nfs/dbraw/zinc/17/14/05/204171405.db2.gz XQPXOJVLVKZFIG-UHFFFAOYSA-N 0 0 385.213 4.263 40 0 GIABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Cl)cc(OC)c3O)S2)cc1 ZINC000006243665 204172302 /nfs/dbraw/zinc/17/23/02/204172302.db2.gz WVNVRCBUHZYYHI-QHVUTBCBSA-N 0 0 390.892 4.216 40 0 GIABRN CCC(=O)NC(=S)Nc1cc2nn(-c3cccc4ccccc43)nc2cc1C ZINC000006348853 204174891 /nfs/dbraw/zinc/17/48/91/204174891.db2.gz QXCRRLNWQOUTRI-UHFFFAOYSA-N 0 0 389.484 4.105 40 0 GIABRN COC(=O)c1cc2c(cc1C[C@H](Cc1ccc3c(c1)CCC3)C(=O)OC)CCC2 ZINC000006385200 204177324 /nfs/dbraw/zinc/17/73/24/204177324.db2.gz LSAOYGIQVKPNRH-QFIPXVFZSA-N 0 0 392.495 4.025 40 0 GIABRN Cc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1 ZINC000006402753 204177683 /nfs/dbraw/zinc/17/76/83/204177683.db2.gz SCUKQZAKYFWHSU-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN Cc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)c(Cl)c1 ZINC000006415182 204179017 /nfs/dbraw/zinc/17/90/17/204179017.db2.gz JXZXHSDIKXEVMP-UHFFFAOYSA-N 0 0 399.922 4.205 40 0 GIABRN COc1ccc(OC)c(N(CC(=O)c2ccc(F)cc2)C2=NCCCS2)c1 ZINC000007275129 204237597 /nfs/dbraw/zinc/23/75/97/204237597.db2.gz AEZZQKIOVBRCLF-UHFFFAOYSA-N 0 0 388.464 4.025 40 0 GIABRN COc1ccc(C(=O)CN(c2ccccc2OC)C2=NCCCS2)c(F)c1 ZINC000007275109 204237813 /nfs/dbraw/zinc/23/78/13/204237813.db2.gz TUIKBLXZALOZIZ-UHFFFAOYSA-N 0 0 388.464 4.025 40 0 GIABRN O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccccc1Cl ZINC000007510398 204242523 /nfs/dbraw/zinc/24/25/23/204242523.db2.gz ZQHKASDYPUMCKC-UHFFFAOYSA-N 0 0 378.613 4.405 40 0 GIABRN Cc1ccc(Cn2ccs/c2=N\C(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC000007814494 204252316 /nfs/dbraw/zinc/25/23/16/204252316.db2.gz SFHBHRRSGZOTBA-FOVZNYCQSA-N 0 0 386.904 4.455 40 0 GIABRN O=C(COc1cccc(Cl)c1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000007890784 204253440 /nfs/dbraw/zinc/25/34/40/204253440.db2.gz HRUHDLFHJSDFRM-UHFFFAOYSA-N 0 0 394.858 4.288 40 0 GIABRN CC(C)Sc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)s1 ZINC000008792834 204291633 /nfs/dbraw/zinc/29/16/33/204291633.db2.gz HIWUGNXKBAXJIE-UHFFFAOYSA-N 0 0 378.306 4.363 40 0 GIABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(Cl)cc1Cl ZINC000008168596 204263809 /nfs/dbraw/zinc/26/38/09/204263809.db2.gz SCRPYPHWKJENDT-UHFFFAOYSA-N 0 0 385.272 4.137 40 0 GIABRN COc1ccc(C(=O)CN(c2ccc(C)cc2)C2=NCCCS2)cc1OC ZINC000008411703 204276542 /nfs/dbraw/zinc/27/65/42/204276542.db2.gz DEFJWHAQNRQQIM-UHFFFAOYSA-N 0 0 384.501 4.194 40 0 GIABRN Cc1ccc(C)c(N(CC(=O)c2ccc3c(c2)OCCO3)C2=NCCCS2)c1 ZINC000008410761 204277301 /nfs/dbraw/zinc/27/73/01/204277301.db2.gz MTRMLAVVJCGVFR-UHFFFAOYSA-N 0 0 396.512 4.257 40 0 GIABRN Cc1nn(-c2ccccc2)c2c1[C@@H](C(=O)Nc1cc(Cl)ccc1C)CC(=O)O2 ZINC000008559691 204278918 /nfs/dbraw/zinc/27/89/18/204278918.db2.gz RSVMKMPXQPAXLN-INIZCTEOSA-N 0 0 395.846 4.174 40 0 GIABRN CCc1ccc([C@@H](C)NC(=O)c2ccccc2I)cc1 ZINC000036623387 204323279 /nfs/dbraw/zinc/32/32/79/204323279.db2.gz JKOFEOMCLWXHDB-GFCCVEGCSA-N 0 0 379.241 4.345 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCCCCC3)ccc2C)cc1 ZINC000010112941 204330549 /nfs/dbraw/zinc/33/05/49/204330549.db2.gz UKSUVLLKSWFBMF-UHFFFAOYSA-N 0 0 386.517 4.120 40 0 GIABRN Cc1nn2c(nnc3c2C[C@H](c2ccco2)CC3=O)c1-c1cccc(Cl)c1 ZINC000010156916 204332122 /nfs/dbraw/zinc/33/21/22/204332122.db2.gz WNCPXNSJQACFTR-ZDUSSCGKSA-N 0 0 378.819 4.259 40 0 GIABRN COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NC(=O)c2cc(C(C)C)nn2C)cc1 ZINC000012162426 204378232 /nfs/dbraw/zinc/37/82/32/204378232.db2.gz OLTCEPRGEMPZBB-UDKICSLYSA-N 0 0 381.520 4.254 40 0 GIABRN COc1ccc(C2(NC(=O)Cn3c(C)nc4ccccc43)CCCCC2)cc1 ZINC000012115995 204372684 /nfs/dbraw/zinc/37/26/84/204372684.db2.gz LFADQVDHAMJGDD-UHFFFAOYSA-N 0 0 377.488 4.329 40 0 GIABRN COc1ccc(C2(NC(=O)CCn3cnc4ccccc43)CCCCC2)cc1 ZINC000012117314 204373320 /nfs/dbraw/zinc/37/33/20/204373320.db2.gz CAQRMQAPNLHVOY-UHFFFAOYSA-N 0 0 377.488 4.411 40 0 GIABRN O=C(Cc1ccccc1F)N1CCC(C(=O)c2nc3ccccc3s2)CC1 ZINC000012132057 204373905 /nfs/dbraw/zinc/37/39/05/204373905.db2.gz RULWLEQBJBJRLI-UHFFFAOYSA-N 0 0 382.460 4.099 40 0 GIABRN Cc1sc2nc([C@H]3CCCN(C(=O)Cc4cccc(F)c4)C3)[nH]c(=O)c2c1C ZINC000012129185 204374155 /nfs/dbraw/zinc/37/41/55/204374155.db2.gz BSDFWEHXZXXINR-HNNXBMFYSA-N 0 0 399.491 4.102 40 0 GIABRN CCn1c(C)cc2cc(NC(=O)c3ccc(-n4cnnc4)cc3Cl)ccc21 ZINC000012148369 204376426 /nfs/dbraw/zinc/37/64/26/204376426.db2.gz JSQWETHFFSTJRZ-UHFFFAOYSA-N 0 0 379.851 4.456 40 0 GIABRN COc1ccc([C@@H](NC(=O)Cn2ccc3ccc(F)cc32)c2ccncc2)cc1 ZINC000012148492 204376691 /nfs/dbraw/zinc/37/66/91/204376691.db2.gz DASKBSOOBFQQRX-HSZRJFAPSA-N 0 0 389.430 4.090 40 0 GIABRN CCOc1cc2c(cc1OCC)[C@H](C)N(C(=O)c1ccc3[nH]c(C)nc3c1)CC2 ZINC000012147463 204376756 /nfs/dbraw/zinc/37/67/56/204376756.db2.gz QUBKOFHUGWXGOO-AWEZNQCLSA-N 0 0 393.487 4.428 40 0 GIABRN O=C(NC1(c2cccc(F)c2)CCCC1)c1ccc(-n2cnnc2)cc1Cl ZINC000012148408 204376818 /nfs/dbraw/zinc/37/68/18/204376818.db2.gz HVQFHQKINMEQCI-UHFFFAOYSA-N 0 0 384.842 4.259 40 0 GIABRN COc1ccccc1-c1cc(C(=O)N[C@H](c2ccccc2)c2cccnc2)no1 ZINC000012148276 204377066 /nfs/dbraw/zinc/37/70/66/204377066.db2.gz QAPVLTVQDWIBQV-JOCHJYFZSA-N 0 0 385.423 4.265 40 0 GIABRN COc1ccc(C2(NC(=O)c3c(C)onc3-c3ccncc3)CCCC2)cc1 ZINC000012197583 204381440 /nfs/dbraw/zinc/38/14/40/204381440.db2.gz IRLYCOZCIYXDAP-UHFFFAOYSA-N 0 0 377.444 4.253 40 0 GIABRN CC(=O)N1c2ccc(NC(=O)c3nc(-c4ccc(F)cc4)oc3C)cc2C[C@@H]1C ZINC000012204672 204381922 /nfs/dbraw/zinc/38/19/22/204381922.db2.gz ZMWXNFDRMGPQCN-LBPRGKRZSA-N 0 0 393.418 4.339 40 0 GIABRN C[C@@H]1C[C@@H]1C(=O)NCc1ccc(-c2nc(C3CC3)ncc2-c2ccccn2)cc1 ZINC000012221987 204385249 /nfs/dbraw/zinc/38/52/49/204385249.db2.gz ILYIFSYCOMJADB-BEFAXECRSA-N 0 0 384.483 4.355 40 0 GIABRN COCCNC(=O)C1(Cc2ccccc2-c2coc3ccccc32)CCOCC1 ZINC000012234947 204386944 /nfs/dbraw/zinc/38/69/44/204386944.db2.gz GHZJJQVZZHUFAI-UHFFFAOYSA-N 0 0 393.483 4.202 40 0 GIABRN Cc1cccc(CC(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)c1 ZINC000012254217 204387952 /nfs/dbraw/zinc/38/79/52/204387952.db2.gz MMWQTCZZKHQISD-HXUWFJFHSA-N 0 0 386.499 4.219 40 0 GIABRN Cc1nn([C@H](C)CC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3C2)c(C)c1C ZINC000012290179 204389590 /nfs/dbraw/zinc/38/95/90/204389590.db2.gz PHUXYHVDBOOLSV-GFCCVEGCSA-N 0 0 384.911 4.479 40 0 GIABRN Cc1ccccc1C1(O)CCN(C(=O)Cc2coc3cc(C)c(C)cc23)CC1 ZINC000012325370 204397625 /nfs/dbraw/zinc/39/76/25/204397625.db2.gz XWSYBDBTLMQFCO-UHFFFAOYSA-N 0 0 377.484 4.411 40 0 GIABRN Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H](C)NC(=O)c1cccs1 ZINC000012337934 204399247 /nfs/dbraw/zinc/39/92/47/204399247.db2.gz GBEHKJQTFRABJF-LBPRGKRZSA-N 0 0 394.418 4.209 40 0 GIABRN CC[C@@H](C(=O)Nc1cccc2ccccc21)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713097 204506236 /nfs/dbraw/zinc/50/62/36/204506236.db2.gz BMCBFUBKJUYFDA-NRFANRHFSA-N 0 0 396.512 4.332 40 0 GIABRN Cc1nn(C)cc1-c1nn(-c2cccc(Cl)c2)c(-c2cn(C)nc2C)c1C ZINC000036611619 204562896 /nfs/dbraw/zinc/56/28/96/204562896.db2.gz OVMWWIJRTIOHCP-UHFFFAOYSA-N 0 0 380.883 4.252 40 0 GIABRN CCc1cc(C(=O)N2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)no1 ZINC000019522620 204649337 /nfs/dbraw/zinc/64/93/37/204649337.db2.gz CZHGWRRWPAALIH-NSHDSACASA-N 0 0 390.390 4.039 40 0 GIABRN C[C@H]1CCCC[C@@H]1NC(=O)Cn1cc(C(=O)c2ccc(F)cc2)c2ccncc21 ZINC000019496242 204645594 /nfs/dbraw/zinc/64/55/94/204645594.db2.gz WMMTXJZYFANOSN-YWZLYKJASA-N 0 0 393.462 4.101 40 0 GIABRN CC[C@H](C(=O)N[C@@H](c1ccccc1)c1ccccc1OC)n1nc(C)cc1C ZINC000019499473 204647206 /nfs/dbraw/zinc/64/72/06/204647206.db2.gz JBQIXLKOOSDESP-IRLDBZIGSA-N 0 0 377.488 4.365 40 0 GIABRN COc1ccc(N(Cc2cccnc2)C(=O)Cc2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000019498066 204647393 /nfs/dbraw/zinc/64/73/93/204647393.db2.gz GDDZKUFAZVFTIV-QGZVFWFLSA-N 0 0 388.467 4.190 40 0 GIABRN CC(=O)N(C)C1CCC2(CC1)CN(C(=O)C1CCCCC1)Cc1ccccc1O2 ZINC000019016315 204622856 /nfs/dbraw/zinc/62/28/56/204622856.db2.gz NFAPXGDKDHZBLS-UHFFFAOYSA-N 0 0 398.547 4.148 40 0 GIABRN CN(C)c1nc2c(c(Nc3ccccc3)n1)[C@@H]1CC[C@H](C2)N1C(=O)CC(C)(C)C ZINC000019082529 204624740 /nfs/dbraw/zinc/62/47/40/204624740.db2.gz DCWRLJCOLJUYTH-AEFFLSMTSA-N 0 0 393.535 4.311 40 0 GIABRN Cc1cc(-c2cc(=O)n([C@@H](C)C(=O)c3ccc(F)cc3)nc2-c2ccco2)on1 ZINC000019121116 204625971 /nfs/dbraw/zinc/62/59/71/204625971.db2.gz XNKVXKOIWVRXFL-ZDUSSCGKSA-N 0 0 393.374 4.050 40 0 GIABRN O=C(c1cc(C(F)(F)F)n[nH]1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000019343110 204638855 /nfs/dbraw/zinc/63/88/55/204638855.db2.gz OAEWDCXMKGBKGZ-CQSZACIVSA-N 0 0 383.420 4.339 40 0 GIABRN COc1ccc([C@@H](NC(=O)c2ccc(-n3nc(C)cc3C)cc2)C2CC2)cc1 ZINC000019660015 204667816 /nfs/dbraw/zinc/66/78/16/204667816.db2.gz UKKJMAXMQJPZDL-QFIPXVFZSA-N 0 0 375.472 4.379 40 0 GIABRN Cc1nc2ccc(Cl)cc2cc1C(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000019666101 204670584 /nfs/dbraw/zinc/67/05/84/204670584.db2.gz TVGSWNPWZURNBS-IBGZPJMESA-N 0 0 395.890 4.413 40 0 GIABRN CCC[C@@H](C(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)n1nc(C)cc1C ZINC000019501786 204649900 /nfs/dbraw/zinc/64/99/00/204649900.db2.gz MWXUIOYZGIJGBB-UXHICEINSA-N 0 0 385.508 4.222 40 0 GIABRN CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)C2CC2)C1 ZINC000019528377 204650376 /nfs/dbraw/zinc/65/03/76/204650376.db2.gz RGBFCQUMKXXQJA-QHCPKHFHSA-N 0 0 396.556 4.113 40 0 GIABRN Cc1c2ccccc2oc1C(=O)N1CCC(n2c3ccccc3oc2=O)CC1 ZINC000019566095 204657924 /nfs/dbraw/zinc/65/79/24/204657924.db2.gz CHKGENLZGBAMAB-UHFFFAOYSA-N 0 0 376.412 4.126 40 0 GIABRN Cc1cc(C)n(-c2cccc(C(=O)N[C@@H](c3cccs3)c3ccncc3)c2)n1 ZINC000019574735 204660337 /nfs/dbraw/zinc/66/03/37/204660337.db2.gz LALSOBWVOIAHDZ-OAQYLSRUSA-N 0 0 388.496 4.465 40 0 GIABRN CN(C)c1cc(C[C@@H](NC(=O)C2CCCC2)c2ccccc2)nc(C2CC2)n1 ZINC000019584246 204661779 /nfs/dbraw/zinc/66/17/79/204661779.db2.gz DBFHREIWUGQGMN-HXUWFJFHSA-N 0 0 378.520 4.010 40 0 GIABRN CC(C)C(=O)N1CCC([C@]2(C)CCCCN(CCc3ccccc3)C2=O)CC1 ZINC000019745028 204679704 /nfs/dbraw/zinc/67/97/04/204679704.db2.gz WXQDNOZVXUIQOF-DEOSSOPVSA-N 0 0 384.564 4.143 40 0 GIABRN COc1ccc(CN(C)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000019932099 204693247 /nfs/dbraw/zinc/69/32/47/204693247.db2.gz AIWWMCGYXOUGNC-UHFFFAOYSA-N 0 0 383.469 4.308 40 0 GIABRN COc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OC ZINC000020040874 204699083 /nfs/dbraw/zinc/69/90/83/204699083.db2.gz ZBQXEGJFSMZSQC-MRXNPFEDSA-N 0 0 385.504 4.427 40 0 GIABRN COc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1OC ZINC000020107297 204702656 /nfs/dbraw/zinc/70/26/56/204702656.db2.gz DWMDMHXWJWHUBB-XMMPIXPASA-N 0 0 375.468 4.461 40 0 GIABRN Cc1cccc(O[C@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1C ZINC000022529688 204783079 /nfs/dbraw/zinc/78/30/79/204783079.db2.gz GCYUFEJXODTENK-GOSISDBHSA-N 0 0 386.923 4.381 40 0 GIABRN CCOc1cccc(CNC(=O)COc2ccc(CC)cc2Br)c1 ZINC000030752176 204897280 /nfs/dbraw/zinc/89/72/80/204897280.db2.gz CPUJDAZSSKOBJE-UHFFFAOYSA-N 0 0 392.293 4.105 40 0 GIABRN O=C(c1ccccc1)[C@H]([C@H](Nc1ccccc1)c1ccccc1)N1CCOCC1 ZINC000031962143 204906891 /nfs/dbraw/zinc/90/68/91/204906891.db2.gz MCYZFIBTHIHJGW-RPWUZVMVSA-N 0 0 386.495 4.424 40 0 GIABRN O=C(c1ccccc1)[C@@H]([C@@H](Nc1ccccc1)c1ccccc1)N1CCOCC1 ZINC000031962135 204907298 /nfs/dbraw/zinc/90/72/98/204907298.db2.gz MCYZFIBTHIHJGW-BJKOFHAPSA-N 0 0 386.495 4.424 40 0 GIABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000038771557 205039359 /nfs/dbraw/zinc/03/93/59/205039359.db2.gz ZMEFQWUMHPLANW-UHFFFAOYSA-N 0 0 393.679 4.271 40 0 GIABRN CCOc1ccccc1N1C(=O)C[C@@H](Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000036635684 205020589 /nfs/dbraw/zinc/02/05/89/205020589.db2.gz AFOYTBWQTNWVQN-CQSZACIVSA-N 0 0 379.243 4.136 40 0 GIABRN CCOc1ccc([C@@H](C)NC(=O)CSc2ccc(OC)c(OC)c2)cc1 ZINC000038753347 205037604 /nfs/dbraw/zinc/03/76/04/205037604.db2.gz DHMJJBFDZUIKJV-CQSZACIVSA-N 0 0 375.490 4.072 40 0 GIABRN COCc1nn2c(ncc(C(=O)Nc3ccc(F)cc3)c2C)c1-c1ccccc1 ZINC000038829701 205038908 /nfs/dbraw/zinc/03/89/08/205038908.db2.gz DRFXMCDBPQKQHE-UHFFFAOYSA-N 0 0 390.418 4.243 40 0 GIABRN O=c1c2cnc3c(-c4ccccc4)cnn3c2ccn1Cc1ccccc1Cl ZINC000040387670 205062073 /nfs/dbraw/zinc/06/20/73/205062073.db2.gz IVGDPPRCQQIKQT-UHFFFAOYSA-N 0 0 386.842 4.413 40 0 GIABRN CC(C)(C)c1ccc(C(=O)N2c3ccccc3C(=O)N3CCCC[C@H]3C2=O)cc1 ZINC000040386356 205063190 /nfs/dbraw/zinc/06/31/90/205063190.db2.gz VUZOUIHFTASTTN-FQEVSTJZSA-N 0 0 390.483 4.166 40 0 GIABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000044886556 205087403 /nfs/dbraw/zinc/08/74/03/205087403.db2.gz PORSZMURVBUIAA-IBGZPJMESA-N 0 0 386.879 4.372 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(F)cc2)cc1Cl ZINC000044883548 205088344 /nfs/dbraw/zinc/08/83/44/205088344.db2.gz XIHFDXDLEIBSJD-QGZVFWFLSA-N 0 0 379.815 4.452 40 0 GIABRN Cc1nccn1-c1ccccc1CNC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000044900151 205088890 /nfs/dbraw/zinc/08/88/90/205088890.db2.gz NZAWJTBBDPDURB-KRWDZBQOSA-N 0 0 385.467 4.418 40 0 GIABRN CN(C(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)C1CCCC1 ZINC000044947034 205091149 /nfs/dbraw/zinc/09/11/49/205091149.db2.gz AGWGLPLDOTUFEH-UHFFFAOYSA-N 0 0 392.908 4.155 40 0 GIABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(Cn3ccnc3)cc2)cc1 ZINC000044937373 205091690 /nfs/dbraw/zinc/09/16/90/205091690.db2.gz FEOGDBKKRDVDRM-QFIPXVFZSA-N 0 0 377.488 4.457 40 0 GIABRN CCCCc1ccc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)cc1 ZINC000061341833 205182031 /nfs/dbraw/zinc/18/20/31/205182031.db2.gz WUDHGNKMOLPEOQ-UHFFFAOYSA-N 0 0 380.897 4.306 40 0 GIABRN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000064476565 205190587 /nfs/dbraw/zinc/19/05/87/205190587.db2.gz JBXYZMHUEMKQBF-UHFFFAOYSA-N 0 0 392.546 4.128 40 0 GIABRN O=C(CCc1nc(-c2cccnc2)no1)N(Cc1ccccc1)Cc1ccccc1 ZINC000064856296 205197742 /nfs/dbraw/zinc/19/77/42/205197742.db2.gz KXHXFYLXLXMNJK-UHFFFAOYSA-N 0 0 398.466 4.293 40 0 GIABRN CC(C)CNC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1 ZINC000069297569 205273590 /nfs/dbraw/zinc/27/35/90/205273590.db2.gz KZXXCGKFAXIZNI-UHFFFAOYSA-N 0 0 376.456 4.243 40 0 GIABRN COc1ccccc1Cc1cccc([C@H]2CCCN2C(=O)c2scnc2C)n1 ZINC000072358086 205334039 /nfs/dbraw/zinc/33/40/39/205334039.db2.gz FJQPOWSLRCCNAT-LJQANCHMSA-N 0 0 393.512 4.423 40 0 GIABRN O=C(c1cnccn1)N1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000072349225 205330352 /nfs/dbraw/zinc/33/03/52/205330352.db2.gz VHOHXDCCKBAQEJ-UHFFFAOYSA-N 0 0 392.890 4.136 40 0 GIABRN O=C(Cc1cccnc1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072349399 205330614 /nfs/dbraw/zinc/33/06/14/205330614.db2.gz ZXVUZKKYRGVTBK-HXUWFJFHSA-N 0 0 389.474 4.155 40 0 GIABRN Cn1ccc(C(=O)N2CCC[C@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)n1 ZINC000072349927 205330751 /nfs/dbraw/zinc/33/07/51/205330751.db2.gz XJWOFPBQUOGIDT-KRWDZBQOSA-N 0 0 394.906 4.079 40 0 GIABRN O=C(Cc1ccncc1)N1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072349422 205330841 /nfs/dbraw/zinc/33/08/41/205330841.db2.gz ZHPNOCAKQOVYLK-GOSISDBHSA-N 0 0 375.447 4.231 40 0 GIABRN O=C(CN1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1)N1CCCC1 ZINC000072357651 205331711 /nfs/dbraw/zinc/33/17/11/205331711.db2.gz YNUXBPQMEDDOIS-NRFANRHFSA-N 0 0 383.923 4.085 40 0 GIABRN O=C(Nc1nccs1)c1cccc([C@@H]2CCCN2C(=O)C2CCCCC2)n1 ZINC000072354394 205332084 /nfs/dbraw/zinc/33/20/84/205332084.db2.gz OZLROUDUWCXICW-KRWDZBQOSA-N 0 0 384.505 4.034 40 0 GIABRN Cc1ccc(Cc2cccc([C@H]3CCCN3CC(=O)N3CCCCC3)n2)cc1 ZINC000072357624 205332121 /nfs/dbraw/zinc/33/21/21/205332121.db2.gz IHBDUYYFPNONLL-HSZRJFAPSA-N 0 0 377.532 4.130 40 0 GIABRN Cc1cc(N2CC[C@H](c3c4ccccc4sc3C(=O)N(C)C)C2)nc(C)n1 ZINC000072352432 205332344 /nfs/dbraw/zinc/33/23/44/205332344.db2.gz WDBKIOHCIMCXKU-HNNXBMFYSA-N 0 0 380.517 4.004 40 0 GIABRN O=C(c1cnccn1)N1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 ZINC000072357843 205332427 /nfs/dbraw/zinc/33/24/27/205332427.db2.gz RUIQHBYKANQCGP-HXUWFJFHSA-N 0 0 378.863 4.093 40 0 GIABRN Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)n1 ZINC000072353611 205333186 /nfs/dbraw/zinc/33/31/86/205333186.db2.gz ZVPITEGSDOGIEG-LJQANCHMSA-N 0 0 378.520 4.321 40 0 GIABRN O=C(c1cccnc1)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 ZINC000072359499 205333872 /nfs/dbraw/zinc/33/38/72/205333872.db2.gz KPVHLRMCOQXEQO-UHFFFAOYSA-N 0 0 378.863 4.212 40 0 GIABRN Cc1ccccc1-c1cncc(C2CCN(C(=O)COc3ccccc3)CC2)n1 ZINC000072359471 205334368 /nfs/dbraw/zinc/33/43/68/205334368.db2.gz MLJVLKLMFRGHLY-UHFFFAOYSA-N 0 0 387.483 4.237 40 0 GIABRN O=C(Cc1ccccn1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359602 205334533 /nfs/dbraw/zinc/33/45/33/205334533.db2.gz IETMUVRZXXHAAI-KRWDZBQOSA-N 0 0 392.890 4.141 40 0 GIABRN O=C(Cc1cccnc1)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 ZINC000072359577 205334688 /nfs/dbraw/zinc/33/46/88/205334688.db2.gz SRMLIVQTCYQZRZ-UHFFFAOYSA-N 0 0 392.890 4.141 40 0 GIABRN Cc1cc(Oc2ccc(F)cc2)nc(C2CCN(C(=O)c3cscn3)CC2)n1 ZINC000072362656 205335328 /nfs/dbraw/zinc/33/53/28/205335328.db2.gz MAEOTTKDXZZVKM-UHFFFAOYSA-N 0 0 398.463 4.193 40 0 GIABRN COc1cccc(-c2cnc(N)nc2[C@@H]2CCCCN2C(=O)c2ccccc2)c1 ZINC000072376795 205336793 /nfs/dbraw/zinc/33/67/93/205336793.db2.gz KRZTULHDQQTFOA-FQEVSTJZSA-N 0 0 388.471 4.102 40 0 GIABRN CC1=C(C)C[C@@H](C(=O)N2CCC(c3ccc(Nc4cnccn4)cn3)CC2)CC1 ZINC000072374367 205337452 /nfs/dbraw/zinc/33/74/52/205337452.db2.gz RSMFCRKFMSOWHB-IBGZPJMESA-N 0 0 391.519 4.458 40 0 GIABRN Cc1nc(Cn2nnc3ccccc32)cc(N[C@H](C)CCc2ccc(F)cc2)n1 ZINC000072373296 205338233 /nfs/dbraw/zinc/33/82/33/205338233.db2.gz PLYBMMUBWBVGGQ-OAHLLOKOSA-N 0 0 390.466 4.150 40 0 GIABRN Cc1nccn1-c1cccc(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)n1 ZINC000072379253 205339011 /nfs/dbraw/zinc/33/90/11/205339011.db2.gz BVGRLQHZLQEOJG-UHFFFAOYSA-N 0 0 392.478 4.054 40 0 GIABRN O=C(NC1CCCC1)c1cc([C@@H]2CCCCN2CCCc2ccccc2)n[nH]1 ZINC000072380625 205339843 /nfs/dbraw/zinc/33/98/43/205339843.db2.gz UCXRTMZOGVNORI-QFIPXVFZSA-N 0 0 380.536 4.242 40 0 GIABRN Cc1cccc(Nc2cc(C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)ncn2)n1 ZINC000072383455 205340077 /nfs/dbraw/zinc/34/00/77/205340077.db2.gz ZLSZHONPFSJJDZ-INIZCTEOSA-N 0 0 383.496 4.113 40 0 GIABRN Cc1cc(Oc2ccccc2C)nc([C@H]2CCCN2C(=O)c2cscn2)n1 ZINC000072384067 205340251 /nfs/dbraw/zinc/34/02/51/205340251.db2.gz QCVDDLGZFXNZID-MRXNPFEDSA-N 0 0 380.473 4.320 40 0 GIABRN COc1cccc(-c2c[nH]nc2[C@H]2CCCN2C(=O)CCOc2ccccc2)c1 ZINC000072380402 205340257 /nfs/dbraw/zinc/34/02/57/205340257.db2.gz RGHCKYGSOJWSIT-OAQYLSRUSA-N 0 0 391.471 4.218 40 0 GIABRN CC(C)c1nccn1-c1cncc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1 ZINC000072378529 205340524 /nfs/dbraw/zinc/34/05/24/205340524.db2.gz BWGCKHSBPYAQNI-FQEVSTJZSA-N 0 0 389.503 4.082 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCN=C2Cc2cccc3ccccc32)cc1C ZINC000072414337 205346622 /nfs/dbraw/zinc/34/66/22/205346622.db2.gz RGJLZSXGKJDXRW-UHFFFAOYSA-N 0 0 378.497 4.102 40 0 GIABRN CCCOc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1OCCC ZINC000072414203 205347696 /nfs/dbraw/zinc/34/76/96/205347696.db2.gz SAIIIFGLAGWZTG-MRXNPFEDSA-N 0 0 389.517 4.404 40 0 GIABRN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000016383752 205436627 /nfs/dbraw/zinc/43/66/27/205436627.db2.gz SGKXORNSFXXMSD-RNWGTBAESA-N 0 0 397.833 4.370 40 0 GIABRN O=C(NCc1cccs1)c1ccn(-c2ccc3ccc(-c4ccncc4)cn32)n1 ZINC000096038087 205517876 /nfs/dbraw/zinc/51/78/76/205517876.db2.gz FCWFXOHOULKIOV-UHFFFAOYSA-N 0 0 399.479 4.179 40 0 GIABRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CSCc1ccccc1 ZINC000096234437 205546411 /nfs/dbraw/zinc/54/64/11/205546411.db2.gz DVJOTFYYTZZDHJ-UHFFFAOYSA-N 0 0 387.892 4.282 40 0 GIABRN CC(C)c1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)[nH]n1 ZINC000100156265 205606635 /nfs/dbraw/zinc/60/66/35/205606635.db2.gz YNMGJNOSHWRVGE-OKILXGFUSA-N 0 0 399.520 4.348 40 0 GIABRN COc1ccccc1NC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000001379621 205714135 /nfs/dbraw/zinc/71/41/35/205714135.db2.gz VOMVCJIBZDKGRZ-KRWDZBQOSA-N 0 0 387.867 4.292 40 0 GIABRN COc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(F)cc4F)C3)n2)c1 ZINC000001360251 205711807 /nfs/dbraw/zinc/71/18/07/205711807.db2.gz KQBHBIDMCKXBNT-CQSZACIVSA-N 0 0 399.397 4.043 40 0 GIABRN Cn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cn1 ZINC000225596149 205688944 /nfs/dbraw/zinc/68/89/44/205688944.db2.gz RIGYQZYGTOVKFZ-MZIIGSDXSA-N 0 0 384.564 4.178 40 0 GIABRN Cc1ccc2c(c1)cc(CN(Cc1ccco1)C(=O)c1ccccc1)c1nnnn12 ZINC000001377005 205713409 /nfs/dbraw/zinc/71/34/09/205713409.db2.gz LSFILJNTIJZUAD-UHFFFAOYSA-N 0 0 397.438 4.022 40 0 GIABRN Cc1ccc2cc(CN(Cc3cccnc3)C(=O)c3ccccc3)c(=O)[nH]c2c1 ZINC000000790318 205696585 /nfs/dbraw/zinc/69/65/85/205696585.db2.gz VWWMPVCUVPFGNE-UHFFFAOYSA-N 0 0 383.451 4.074 40 0 GIABRN O=C(CSc1nnc(-c2cccc(Br)c2)o1)Nc1ccccc1 ZINC000000873469 205700214 /nfs/dbraw/zinc/70/02/14/205700214.db2.gz IDLVAZOZQAWLRO-UHFFFAOYSA-N 0 0 390.262 4.230 40 0 GIABRN CNC(=S)N(CCc1ccccc1C)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000920102 205702318 /nfs/dbraw/zinc/70/23/18/205702318.db2.gz ZJGZDFYKFICJKB-UHFFFAOYSA-N 0 0 393.556 4.002 40 0 GIABRN COc1ccc2cc(C)c3nnc(SCC(=O)c4ccc(F)cc4)n3c2c1 ZINC000000928427 205702637 /nfs/dbraw/zinc/70/26/37/205702637.db2.gz VYXCLBMPAFPIKO-UHFFFAOYSA-N 0 0 381.432 4.314 40 0 GIABRN CCCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccco1 ZINC000004861140 205754422 /nfs/dbraw/zinc/75/44/22/205754422.db2.gz LYRBNUDAMBTOLP-UHFFFAOYSA-N 0 0 399.472 4.084 40 0 GIABRN CN(C)C(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)nc2ccccc21 ZINC000004936753 205754651 /nfs/dbraw/zinc/75/46/51/205754651.db2.gz HISGGYWTAWSFLR-UHFFFAOYSA-N 0 0 381.545 4.278 40 0 GIABRN COc1cc([C@H]2NC(=O)c3ccccc3O2)ccc1OCCc1ccccc1 ZINC000004997926 205758628 /nfs/dbraw/zinc/75/86/28/205758628.db2.gz JSAMHPIBSHRWJV-QHCPKHFHSA-N 0 0 375.424 4.138 40 0 GIABRN COc1ccc([C@@H](C)NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000004965345 205759913 /nfs/dbraw/zinc/75/99/13/205759913.db2.gz MMRGLXMTJGQDSA-OAHLLOKOSA-N 0 0 395.528 4.399 40 0 GIABRN O=C(Nc1ccc(F)cc1)NC1(C(=O)NCc2cccs2)CCCCC1 ZINC000004965397 205760033 /nfs/dbraw/zinc/76/00/33/205760033.db2.gz JFNZJXXLMOXZIN-UHFFFAOYSA-N 0 0 375.469 4.028 40 0 aggregator GIABRN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)c2cccs2)C1 ZINC000008623955 205795174 /nfs/dbraw/zinc/79/51/74/205795174.db2.gz NTLYWDPJVBBCCQ-RTBURBONSA-N 0 0 377.513 4.452 40 0 biogenic,in-vitro GIABRN COc1ccc(NC(=S)Nc2ccc(I)cc2)cc1 ZINC000001045010 205806632 /nfs/dbraw/zinc/80/66/32/205806632.db2.gz PPKTWSCBAHHAHE-UHFFFAOYSA-N 0 0 384.242 4.109 40 0 GIABRN CCc1ccc(OCC(=O)NCCSc2ccccc2)c(Br)c1 ZINC000218859626 205950757 /nfs/dbraw/zinc/95/07/57/205950757.db2.gz ZLXQJMYAGGNNAC-UHFFFAOYSA-N 0 0 394.334 4.299 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cc(C)cc(C)c1C ZINC000218969526 205953278 /nfs/dbraw/zinc/95/32/78/205953278.db2.gz FGVKSHLMSFCLGZ-IBGZPJMESA-N 0 0 383.488 4.418 40 0 GIABRN COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc32)cc1 ZINC000219039421 205953445 /nfs/dbraw/zinc/95/34/45/205953445.db2.gz WCQJHBQOIPTJEF-SJORKVTESA-N 0 0 379.456 4.199 40 0 GIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1nc(-c2ccc(C)cc2)no1 ZINC000219322333 205955389 /nfs/dbraw/zinc/95/53/89/205955389.db2.gz XQKDAANGNGSGHP-MRXNPFEDSA-N 0 0 385.851 4.172 40 0 GIABRN COc1cc2ccccc2cc1C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000219396224 205956813 /nfs/dbraw/zinc/95/68/13/205956813.db2.gz SSBILDSNNVRNMJ-UHFFFAOYSA-N 0 0 387.439 4.479 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 ZINC000222415637 205978511 /nfs/dbraw/zinc/97/85/11/205978511.db2.gz VVVHGOBIDSTNDK-QFIPXVFZSA-N 0 0 380.532 4.260 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222441906 205978616 /nfs/dbraw/zinc/97/86/16/205978616.db2.gz JYJGQAFGECVVOG-AWEZNQCLSA-N 0 0 393.314 4.008 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 ZINC000222458860 205978975 /nfs/dbraw/zinc/97/89/75/205978975.db2.gz KWXXXIDAXWSGQP-OAQYLSRUSA-N 0 0 398.572 4.419 40 0 GIABRN CC[C@@H](C(=O)Nc1c(C)cccc1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220558140 205971536 /nfs/dbraw/zinc/97/15/36/205971536.db2.gz ZLBBCJZJUVKVGT-IBGZPJMESA-N 0 0 388.533 4.104 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccccc1C(C)C ZINC000222815070 205987535 /nfs/dbraw/zinc/98/75/35/205987535.db2.gz WAWLOXCJVWZMQQ-UHFFFAOYSA-N 0 0 385.489 4.349 40 0 GIABRN COc1cc(OC)cc(C(=O)N2c3ccc(Br)cc3C[C@H]2C)c1 ZINC000222931480 205989595 /nfs/dbraw/zinc/98/95/95/205989595.db2.gz WEQLAIZFCRQDHF-LLVKDONJSA-N 0 0 376.250 4.058 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C ZINC000223134389 205992283 /nfs/dbraw/zinc/99/22/83/205992283.db2.gz JEZYVQPODWKDKX-OAQYLSRUSA-N 0 0 394.559 4.488 40 0 GIABRN CCc1cccc(CC)c1NC(=O)C1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000223123271 205992558 /nfs/dbraw/zinc/99/25/58/205992558.db2.gz SLUZEOGSHWKJMO-UHFFFAOYSA-N 0 0 394.515 4.311 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 ZINC000223142850 205994026 /nfs/dbraw/zinc/99/40/26/205994026.db2.gz FUQJYBJRNYORCS-HXUWFJFHSA-N 0 0 380.532 4.180 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccc(C)c(C)c3)s2)cc1 ZINC000223327574 205996467 /nfs/dbraw/zinc/99/64/67/205996467.db2.gz DPMWQFWEGFXISB-AWEZNQCLSA-N 0 0 383.473 4.237 40 0 GIABRN CC(C)Oc1ccc(CCCNC(=O)COc2cccc3c2CCCC3)cc1 ZINC000223312829 205996881 /nfs/dbraw/zinc/99/68/81/205996881.db2.gz UBSSDWHBUPJUGS-UHFFFAOYSA-N 0 0 381.516 4.480 40 0 GIABRN COc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1OC(C)C ZINC000222572739 205982563 /nfs/dbraw/zinc/98/25/63/205982563.db2.gz BHGHHGMZLLCPLQ-GKCIPKSASA-N 0 0 383.517 4.467 40 0 GIABRN COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 ZINC000222625698 205984037 /nfs/dbraw/zinc/98/40/37/205984037.db2.gz TWIDZZDPIISSGL-RVHYNSKXSA-N 0 0 390.512 4.470 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1nc(-c2cccs2)no1 ZINC000223630981 206002467 /nfs/dbraw/zinc/00/24/67/206002467.db2.gz YIMHBSXUBRRXBJ-KRWDZBQOSA-N 0 0 397.500 4.151 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(C)cc1 ZINC000223594694 206003252 /nfs/dbraw/zinc/00/32/52/206003252.db2.gz CWHOFFWQEOQSIS-IBGZPJMESA-N 0 0 398.572 4.090 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000223639420 206004018 /nfs/dbraw/zinc/00/40/18/206004018.db2.gz PSIYCGQTAZGRSN-IBGZPJMESA-N 0 0 398.572 4.090 40 0 GIABRN Cc1nccn1Cc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000223660512 206004321 /nfs/dbraw/zinc/00/43/21/206004321.db2.gz RPDUYSIOVMVWPX-UHFFFAOYSA-N 0 0 391.515 4.346 40 0 GIABRN CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1C ZINC000223653491 206004944 /nfs/dbraw/zinc/00/49/44/206004944.db2.gz ZYUAEMWWTBNQIH-UHFFFAOYSA-N 0 0 391.489 4.105 40 0 GIABRN Cc1cccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223795099 206005463 /nfs/dbraw/zinc/00/54/63/206005463.db2.gz HJZKFNDEZVVDJX-HXUWFJFHSA-N 0 0 392.543 4.404 40 0 GIABRN COc1ccc(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)cc1F ZINC000223742759 206005775 /nfs/dbraw/zinc/00/57/75/206005775.db2.gz VRXXGDBQOPSJGI-UHFFFAOYSA-N 0 0 387.432 4.105 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 ZINC000223781834 206005984 /nfs/dbraw/zinc/00/59/84/206005984.db2.gz QNNMFLQBKPRUNL-KRWDZBQOSA-N 0 0 386.923 4.216 40 0 GIABRN Cc1ccccc1CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC1CCCC1 ZINC000223756059 206006000 /nfs/dbraw/zinc/00/60/00/206006000.db2.gz RSESPAAKQYWBBJ-IBGZPJMESA-N 0 0 378.516 4.014 40 0 GIABRN CCCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)cc1 ZINC000223831068 206007122 /nfs/dbraw/zinc/00/71/22/206007122.db2.gz JACRPTYBLRBXNW-UHFFFAOYSA-N 0 0 381.881 4.270 40 0 GIABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2CC)cc1 ZINC000223837561 206007777 /nfs/dbraw/zinc/00/77/77/206007777.db2.gz AQSNMYFYSQYCLX-LEWJYISDSA-N 0 0 392.528 4.479 40 0 GIABRN COc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)c1 ZINC000223949500 206008764 /nfs/dbraw/zinc/00/87/64/206008764.db2.gz SPVHLJXDYNKTGQ-ZHZULCJRSA-N 0 0 392.480 4.475 40 0 GIABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2F)c1 ZINC000223936227 206008803 /nfs/dbraw/zinc/00/88/03/206008803.db2.gz PSVBNBUQTZEOOB-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)[nH]1 ZINC000223885248 206008812 /nfs/dbraw/zinc/00/88/12/206008812.db2.gz GJUKDBXWUDQHOK-LEWJYISDSA-N 0 0 391.544 4.270 40 0 GIABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccs2)cc1 ZINC000223882704 206009074 /nfs/dbraw/zinc/00/90/74/206009074.db2.gz WEVOANVJZFDUAO-RTBURBONSA-N 0 0 380.542 4.386 40 0 GIABRN CC[C@@H](NS(=O)(=O)c1c(C)cc(OC)cc1C)c1ccc(OC)c(C)c1 ZINC000223902500 206009372 /nfs/dbraw/zinc/00/93/72/206009372.db2.gz GTCJEYXTALOZPC-GOSISDBHSA-N 0 0 377.506 4.059 40 0 GIABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000223940517 206009419 /nfs/dbraw/zinc/00/94/19/206009419.db2.gz ZTSNUBSZKKOYAU-UHFFFAOYSA-N 0 0 380.469 4.072 40 0 GIABRN COc1ccccc1CCCNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000224023831 206009722 /nfs/dbraw/zinc/00/97/22/206009722.db2.gz CHGAEUOIUFNECQ-UHFFFAOYSA-N 0 0 391.533 4.047 40 0 GIABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1 ZINC000224017855 206010560 /nfs/dbraw/zinc/01/05/60/206010560.db2.gz KUMCCGWJMPRAJX-INIZCTEOSA-N 0 0 386.923 4.215 40 0 GIABRN Cc1cccnc1NC(=S)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000224021311 206010632 /nfs/dbraw/zinc/01/06/32/206010632.db2.gz LYCCRBSTNHJFEK-UHFFFAOYSA-N 0 0 375.925 4.078 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2C)cc1 ZINC000224009518 206010638 /nfs/dbraw/zinc/01/06/38/206010638.db2.gz KVIVICBZSUIFKS-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN Cc1ccccc1Nc1ccc(NC(=S)NCc2ccc3c(c2)OCO3)cn1 ZINC000224047167 206011698 /nfs/dbraw/zinc/01/16/98/206011698.db2.gz NSKYMSQPVPMFJC-UHFFFAOYSA-N 0 0 392.484 4.349 40 0 GIABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCC ZINC000224064847 206012015 /nfs/dbraw/zinc/01/20/15/206012015.db2.gz YFTCUQDVAIJDHW-QFIPXVFZSA-N 0 0 380.532 4.261 40 0 GIABRN Cc1cccc(Nc2ccc(NC(=S)NCc3ccc4c(c3)OCO4)cn2)c1 ZINC000224047243 206012192 /nfs/dbraw/zinc/01/21/92/206012192.db2.gz YUMCTORLIYJJBO-UHFFFAOYSA-N 0 0 392.484 4.349 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000224087106 206012662 /nfs/dbraw/zinc/01/26/62/206012662.db2.gz WOVMDVJAWAXKDM-KRWDZBQOSA-N 0 0 384.495 4.009 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1C ZINC000224098552 206013038 /nfs/dbraw/zinc/01/30/38/206013038.db2.gz GEWOOQOJNDSAJL-FQEVSTJZSA-N 0 0 380.532 4.035 40 0 GIABRN Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000224118805 206013905 /nfs/dbraw/zinc/01/39/05/206013905.db2.gz UKWZEKMHJDQEEY-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN Cc1cc(C)cc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224111018 206013938 /nfs/dbraw/zinc/01/39/38/206013938.db2.gz REICXHKOJVRCCN-HXUWFJFHSA-N 0 0 380.532 4.035 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl ZINC000224130107 206014038 /nfs/dbraw/zinc/01/40/38/206014038.db2.gz UBOVKMSVTAIFRG-FQEVSTJZSA-N 0 0 386.923 4.216 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224163715 206014390 /nfs/dbraw/zinc/01/43/90/206014390.db2.gz FJCBNMGTFQHEPR-OAQYLSRUSA-N 0 0 394.559 4.344 40 0 GIABRN Cc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000224188357 206014718 /nfs/dbraw/zinc/01/47/18/206014718.db2.gz ISGGXZXONXMJSJ-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224174782 206014735 /nfs/dbraw/zinc/01/47/35/206014735.db2.gz LPIVAVZQWGALLS-FQEVSTJZSA-N 0 0 380.532 4.035 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2cc(C)ccc2C)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224168009 206014783 /nfs/dbraw/zinc/01/47/83/206014783.db2.gz RTXHIYJRTHIKCX-NRFANRHFSA-N 0 0 394.559 4.344 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224174721 206014800 /nfs/dbraw/zinc/01/48/00/206014800.db2.gz LMBWTUNKVCWICC-HXUWFJFHSA-N 0 0 380.532 4.035 40 0 GIABRN Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000224188531 206015213 /nfs/dbraw/zinc/01/52/13/206015213.db2.gz AWAIJKBYAPUUOZ-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCOc1ccc(C)c(Cl)c1 ZINC000224165144 206015326 /nfs/dbraw/zinc/01/53/26/206015326.db2.gz BCVIFHUWCDNPMG-LJQANCHMSA-N 0 0 377.868 4.010 40 0 GIABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCC ZINC000224153351 206015396 /nfs/dbraw/zinc/01/53/96/206015396.db2.gz ZVLLIJNTZVMXSX-JOCHJYFZSA-N 0 0 380.532 4.261 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 ZINC000224182023 206015476 /nfs/dbraw/zinc/01/54/76/206015476.db2.gz AXVPPPBSONNHDK-NRFANRHFSA-N 0 0 398.572 4.339 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224207349 206015993 /nfs/dbraw/zinc/01/59/93/206015993.db2.gz PAZYYESYQPLREC-OAQYLSRUSA-N 0 0 394.559 4.344 40 0 GIABRN Cc1cc(OCC(=O)NCCc2ccc(Cl)cc2)ccc1Br ZINC000224241235 206016297 /nfs/dbraw/zinc/01/62/97/206016297.db2.gz QGZFMOSGEXJRAF-UHFFFAOYSA-N 0 0 382.685 4.149 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224200398 206016459 /nfs/dbraw/zinc/01/64/59/206016459.db2.gz BRECNMHTFPXBML-HXUWFJFHSA-N 0 0 380.532 4.035 40 0 GIABRN Cc1ccc2c(c1)[C@@H](NC(=O)C1(c3ccccc3)CCOCC1)CC(C)(C)O2 ZINC000224213157 206016483 /nfs/dbraw/zinc/01/64/83/206016483.db2.gz ZUXGPPOYMNDAHP-FQEVSTJZSA-N 0 0 379.500 4.462 40 0 GIABRN Cc1ccc2c(c1)[C@H](NC(=O)C1(c3ccccc3)CCOCC1)CC(C)(C)O2 ZINC000224213210 206016655 /nfs/dbraw/zinc/01/66/55/206016655.db2.gz ZUXGPPOYMNDAHP-HXUWFJFHSA-N 0 0 379.500 4.462 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 ZINC000224260623 206016748 /nfs/dbraw/zinc/01/67/48/206016748.db2.gz LARDXIBSNYOOIT-QHCPKHFHSA-N 0 0 394.559 4.434 40 0 GIABRN Cc1cc(OCC(=O)NC[C@@H](C)c2ccccc2)cc(C)c1Br ZINC000224243875 206016770 /nfs/dbraw/zinc/01/67/70/206016770.db2.gz XDCQBZJVFCWZKB-OAHLLOKOSA-N 0 0 376.294 4.365 40 0 GIABRN CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000224371164 206018878 /nfs/dbraw/zinc/01/88/78/206018878.db2.gz GBDDLTLIXYKMAG-DYVFJYSZSA-N 0 0 377.868 4.392 40 0 GIABRN CCOc1ccccc1CCCNS(=O)(=O)c1ccc2cc(OC)ccc2c1 ZINC000224320832 206017655 /nfs/dbraw/zinc/01/76/55/206017655.db2.gz HMQCKCCERANRGW-UHFFFAOYSA-N 0 0 399.512 4.158 40 0 GIABRN CC(C)CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C ZINC000223484470 206001310 /nfs/dbraw/zinc/00/13/10/206001310.db2.gz AIPUHZLFAZHRCE-NRFANRHFSA-N 0 0 384.495 4.324 40 0 GIABRN CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCCC(C)C)c1ccccc1 ZINC000223479052 206001869 /nfs/dbraw/zinc/00/18/69/206001869.db2.gz ZWCVCZDZSALYPI-JOCHJYFZSA-N 0 0 384.495 4.468 40 0 GIABRN CCOC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000225065918 206035341 /nfs/dbraw/zinc/03/53/41/206035341.db2.gz VZFPWZBSUREHNN-UHFFFAOYSA-N 0 0 383.469 4.150 40 0 GIABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCC ZINC000224328683 206019345 /nfs/dbraw/zinc/01/93/45/206019345.db2.gz FNLGIBXJXPRHSP-OAQYLSRUSA-N 0 0 384.495 4.092 40 0 GIABRN CCC1(CC)C[C@H](NS(=O)(=O)c2cc(F)ccc2OC)c2ccccc2O1 ZINC000224330711 206019831 /nfs/dbraw/zinc/01/98/31/206019831.db2.gz VFRGTGXIAZEXEG-INIZCTEOSA-N 0 0 393.480 4.195 40 0 GIABRN CCC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000224422620 206020903 /nfs/dbraw/zinc/02/09/03/206020903.db2.gz DAGJIFJXLGZBOR-FQEVSTJZSA-N 0 0 384.495 4.090 40 0 GIABRN CCOc1ccc(C(=O)N[C@@H](C)COC)cc1COc1cccc(Cl)c1 ZINC000224494896 206022190 /nfs/dbraw/zinc/02/21/90/206022190.db2.gz BVAFWAMBAMBLIU-AWEZNQCLSA-N 0 0 377.868 4.082 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccccc1F ZINC000224537790 206022208 /nfs/dbraw/zinc/02/22/08/206022208.db2.gz AZSTUYMCGPIMLB-UHFFFAOYSA-N 0 0 388.395 4.018 40 0 GIABRN CCOc1ccc(C(=O)NCCSCc2ccccc2F)cc1OCC ZINC000225064157 206035591 /nfs/dbraw/zinc/03/55/91/206035591.db2.gz QPKCYADNTWLYEJ-UHFFFAOYSA-N 0 0 377.481 4.286 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 ZINC000224593840 206023251 /nfs/dbraw/zinc/02/32/51/206023251.db2.gz ZHZSZXFFGXZYMU-JOCHJYFZSA-N 0 0 380.532 4.117 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1)C1CCCCC1 ZINC000224556838 206024380 /nfs/dbraw/zinc/02/43/80/206024380.db2.gz WSHKMZAITDWQBH-UHFFFAOYSA-N 0 0 376.453 4.145 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C ZINC000224630126 206024805 /nfs/dbraw/zinc/02/48/05/206024805.db2.gz HDBDDWLPNUTTLX-HSZRJFAPSA-N 0 0 394.559 4.426 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F ZINC000224630467 206025377 /nfs/dbraw/zinc/02/53/77/206025377.db2.gz IDRBDUZLBLBYPB-JOCHJYFZSA-N 0 0 398.522 4.256 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl ZINC000224662315 206025936 /nfs/dbraw/zinc/02/59/36/206025936.db2.gz JDONALXODQJVEC-QGZVFWFLSA-N 0 0 386.923 4.216 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C ZINC000224769955 206027443 /nfs/dbraw/zinc/02/74/43/206027443.db2.gz BCACPJBVTITXMO-FQEVSTJZSA-N 0 0 380.532 4.098 40 0 GIABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000224772566 206028010 /nfs/dbraw/zinc/02/80/10/206028010.db2.gz SKDMCZPWHPJQPD-AWEZNQCLSA-N 0 0 397.500 4.103 40 0 GIABRN CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000224874559 206028785 /nfs/dbraw/zinc/02/87/85/206028785.db2.gz CFHUMWZJOYUCKR-UHFFFAOYSA-N 0 0 398.322 4.290 40 0 GIABRN CCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 ZINC000224844667 206029230 /nfs/dbraw/zinc/02/92/30/206029230.db2.gz NVIPBBLBFYOYRD-SFHVURJKSA-N 0 0 381.516 4.480 40 0 GIABRN CCOc1cc(CNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)ccc1OC ZINC000224935435 206030213 /nfs/dbraw/zinc/03/02/13/206030213.db2.gz GHHOFITZFWUCEH-INIZCTEOSA-N 0 0 383.488 4.056 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 ZINC000225056953 206036028 /nfs/dbraw/zinc/03/60/28/206036028.db2.gz UZRRIQUOWZGWBA-VQTJNVASSA-N 0 0 380.532 4.260 40 0 GIABRN CC(C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 ZINC000224961919 206032084 /nfs/dbraw/zinc/03/20/84/206032084.db2.gz LNSUSPINFXBSHA-INIZCTEOSA-N 0 0 380.488 4.110 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)ccc1C ZINC000225000249 206032709 /nfs/dbraw/zinc/03/27/09/206032709.db2.gz LHFRRUBZHPPMBB-UXHICEINSA-N 0 0 396.531 4.014 40 0 GIABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C)cc1Cl ZINC000224964309 206033103 /nfs/dbraw/zinc/03/31/03/206033103.db2.gz PUIGGAAOWOGWHB-OALUTQOASA-N 0 0 398.919 4.259 40 0 GIABRN Cn1c(=O)sc2cc(NC(=O)CCCOc3ccc(Cl)cc3)ccc21 ZINC000225043386 206033596 /nfs/dbraw/zinc/03/35/96/206033596.db2.gz OCGLLEFJTNPZIQ-UHFFFAOYSA-N 0 0 376.865 4.051 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSc1ccccc1 ZINC000225013740 206034158 /nfs/dbraw/zinc/03/41/58/206034158.db2.gz CEHAJNSEIKTKOP-MOPGFXCFSA-N 0 0 398.572 4.419 40 0 GIABRN COc1ccccc1[C@H](C)NC(=O)c1ccc(C)cc1I ZINC000225034478 206034164 /nfs/dbraw/zinc/03/41/64/206034164.db2.gz IKYSRYSESBZIKS-LBPRGKRZSA-N 0 0 395.240 4.099 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1 ZINC000225049288 206034378 /nfs/dbraw/zinc/03/43/78/206034378.db2.gz NQVHHSYLCLGEEL-UXHICEINSA-N 0 0 396.531 4.014 40 0 GIABRN Cc1ccc(C(=O)NCCCc2ccc(F)cc2)c(I)c1 ZINC000225025110 206034700 /nfs/dbraw/zinc/03/47/00/206034700.db2.gz BUQFVTKKRJRXNJ-UHFFFAOYSA-N 0 0 397.231 4.101 40 0 GIABRN CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225103270 206037347 /nfs/dbraw/zinc/03/73/47/206037347.db2.gz WYTKAHXSQMLIBB-UHFFFAOYSA-N 0 0 378.252 4.356 40 0 GIABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc2c(c1)sc(=O)n2CC ZINC000225108663 206037659 /nfs/dbraw/zinc/03/76/59/206037659.db2.gz YDLXQRJFYHRFAL-KRWDZBQOSA-N 0 0 384.501 4.496 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 ZINC000225092645 206037780 /nfs/dbraw/zinc/03/77/80/206037780.db2.gz FAHICYPFDWUHHR-PMACEKPBSA-N 0 0 380.532 4.178 40 0 GIABRN CCCC[C@@H](CC)CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(OC)cc1 ZINC000225121651 206037889 /nfs/dbraw/zinc/03/78/89/206037889.db2.gz HYEMDCZRZOGDPR-VKZJTJHYSA-N 0 0 398.503 4.392 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 ZINC000225123413 206037949 /nfs/dbraw/zinc/03/79/49/206037949.db2.gz WZYKUJLBPZYYNR-WOJBJXKFSA-N 0 0 380.532 4.178 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1 ZINC000225131205 206038517 /nfs/dbraw/zinc/03/85/17/206038517.db2.gz CWPXMKXKNZVRFL-JOCHJYFZSA-N 0 0 396.531 4.016 40 0 GIABRN CC(C)n1c2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc2sc1=O ZINC000225154325 206038729 /nfs/dbraw/zinc/03/87/29/206038729.db2.gz SBPMSDLJKXBZQL-UHFFFAOYSA-N 0 0 396.921 4.239 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCCc2ccc(C)cc2)cc1C(C)C ZINC000225166171 206039179 /nfs/dbraw/zinc/03/91/79/206039179.db2.gz IJQIUGNHBYECDQ-UHFFFAOYSA-N 0 0 375.534 4.347 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)NCCCc2ccccc2Cl)c1 ZINC000225541242 206054359 /nfs/dbraw/zinc/05/43/59/206054359.db2.gz VGALHFRFWBAVAZ-UHFFFAOYSA-N 0 0 376.909 4.436 40 0 GIABRN COCc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)cc2)c1 ZINC000225189254 206040726 /nfs/dbraw/zinc/04/07/26/206040726.db2.gz CROZWUYOHPMSRU-STZFKDTASA-N 0 0 390.439 4.144 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 ZINC000225238177 206041705 /nfs/dbraw/zinc/04/17/05/206041705.db2.gz MGXHHOOLAYBCIA-MSOLQXFVSA-N 0 0 384.495 4.009 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225232969 206041820 /nfs/dbraw/zinc/04/18/20/206041820.db2.gz OPHWKEFMNDDXAC-MOPGFXCFSA-N 0 0 398.522 4.317 40 0 GIABRN Cc1ccccc1C(=O)N1CCS/C1=C\c1nc(-c2ccccc2F)no1 ZINC000225242995 206041838 /nfs/dbraw/zinc/04/18/38/206041838.db2.gz LWAFGVBFZOZHML-LDADJPATSA-N 0 0 381.432 4.372 40 0 GIABRN O=C(CSCc1ccc(Cl)c(Cl)c1)NC[C@H]1COc2ccccc2O1 ZINC000225279045 206042006 /nfs/dbraw/zinc/04/20/06/206042006.db2.gz ILXDTYSIXCCSFH-ZDUSSCGKSA-N 0 0 398.311 4.183 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCCc2cccc(C)c2)cc1C(C)C ZINC000225222788 206042686 /nfs/dbraw/zinc/04/26/86/206042686.db2.gz RBZHKTOPFZBSHF-UHFFFAOYSA-N 0 0 375.534 4.347 40 0 GIABRN Cc1ccc(NC(=S)NCCSCc2ccccc2)cc1N1CCCC1=O ZINC000225291472 206042959 /nfs/dbraw/zinc/04/29/59/206042959.db2.gz KNSFKCHSOMDRJG-UHFFFAOYSA-N 0 0 399.585 4.342 40 0 GIABRN COc1cc2c(cc1OC)-n1cccc1[C@@H](c1ccc(NC(C)=O)cc1)CC2=O ZINC000225381177 206044373 /nfs/dbraw/zinc/04/43/73/206044373.db2.gz RRVLFYDVSNMOPH-QGZVFWFLSA-N 0 0 390.439 4.171 40 0 GIABRN COc1ccc(C(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1F ZINC000225397523 206045305 /nfs/dbraw/zinc/04/53/05/206045305.db2.gz UBJDVXXGRXXHHY-UHFFFAOYSA-N 0 0 397.450 4.454 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1cccc2ccccc21 ZINC000225439075 206046968 /nfs/dbraw/zinc/04/69/68/206046968.db2.gz SGBVFYGPWRTYTD-KRWDZBQOSA-N 0 0 392.474 4.075 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000225449563 206048997 /nfs/dbraw/zinc/04/89/97/206048997.db2.gz BRSNSUGVINLELR-NHCUHLMSSA-N 0 0 394.559 4.220 40 0 GIABRN COc1ccc([C@@H](C)NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000225466510 206049641 /nfs/dbraw/zinc/04/96/41/206049641.db2.gz LOIYIZQQBXFDNF-OAHLLOKOSA-N 0 0 383.517 4.178 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)NCc2ccccc2OCC)cc1Cl ZINC000225443324 206049782 /nfs/dbraw/zinc/04/97/82/206049782.db2.gz UDBSTWSZRLXKGA-UHFFFAOYSA-N 0 0 392.908 4.402 40 0 GIABRN COc1ccc([C@H](C)NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 ZINC000225466620 206050321 /nfs/dbraw/zinc/05/03/21/206050321.db2.gz CSGQHFNXLXATLS-HNNXBMFYSA-N 0 0 383.517 4.178 40 0 GIABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl ZINC000225473218 206050857 /nfs/dbraw/zinc/05/08/57/206050857.db2.gz UKOBOTIIVIWPBP-QGZVFWFLSA-N 0 0 386.923 4.215 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1C)C(=O)COc1ccccc1 ZINC000225492729 206052124 /nfs/dbraw/zinc/05/21/24/206052124.db2.gz YROUDXQTOGSBGY-SIKLNZKXSA-N 0 0 396.531 4.096 40 0 GIABRN Cc1cccc(CN(C(=O)CCCOc2ccccc2)[C@H](C)C(=O)NC(C)C)c1 ZINC000225508144 206052861 /nfs/dbraw/zinc/05/28/61/206052861.db2.gz XBQOGEUVLKFKQF-HXUWFJFHSA-N 0 0 396.531 4.096 40 0 GIABRN COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000225501460 206053613 /nfs/dbraw/zinc/05/36/13/206053613.db2.gz XBIJCLFALLVGPH-HXUWFJFHSA-N 0 0 399.560 4.471 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1ccccc1C ZINC000225719805 206068891 /nfs/dbraw/zinc/06/88/91/206068891.db2.gz MYINQPQBTRLDRU-OAQYLSRUSA-N 0 0 396.531 4.014 40 0 GIABRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C ZINC000225705633 206070007 /nfs/dbraw/zinc/07/00/07/206070007.db2.gz KJFHBKSYSFHONI-UHFFFAOYSA-N 0 0 396.921 4.407 40 0 GIABRN O=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1ccc(C(F)(F)F)cc1 ZINC000225734599 206070431 /nfs/dbraw/zinc/07/04/31/206070431.db2.gz ADICIFHZTLRFSP-UHFFFAOYSA-N 0 0 380.753 4.312 40 0 GIABRN COc1cccnc1NC(=S)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000225535758 206055114 /nfs/dbraw/zinc/05/51/14/206055114.db2.gz UELAVGNULPZJPJ-UHFFFAOYSA-N 0 0 397.475 4.295 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225527478 206055249 /nfs/dbraw/zinc/05/52/49/206055249.db2.gz KNJWXFQPFHSCRI-QGZVFWFLSA-N 0 0 386.923 4.133 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2cc(C)ccc2C)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225531063 206056026 /nfs/dbraw/zinc/05/60/26/206056026.db2.gz OWRNCAAOMZCMEP-FQEVSTJZSA-N 0 0 380.532 4.096 40 0 GIABRN CSc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1NC(=O)C(C)C ZINC000225738282 206071946 /nfs/dbraw/zinc/07/19/46/206071946.db2.gz QASVPLLUCZKXIY-UHFFFAOYSA-N 0 0 392.546 4.421 40 0 GIABRN COC(=O)c1cc(NC(=S)NCCCc2cccc(OC)c2)ccc1Cl ZINC000225553963 206056746 /nfs/dbraw/zinc/05/67/46/206056746.db2.gz HJNWUACBEWLJBL-UHFFFAOYSA-N 0 0 392.908 4.054 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)NCCCc2ccccc2OC)c1C ZINC000225550969 206056983 /nfs/dbraw/zinc/05/69/83/206056983.db2.gz ZQDLTZRSPFZQBB-UHFFFAOYSA-N 0 0 386.517 4.100 40 0 GIABRN O=C1CCCN1c1ccc(NC(=S)NCCCc2ccc(Cl)cc2)cc1 ZINC000225544858 206057126 /nfs/dbraw/zinc/05/71/26/206057126.db2.gz HCHZTKOEYQXXND-UHFFFAOYSA-N 0 0 387.936 4.386 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F ZINC000225556163 206057649 /nfs/dbraw/zinc/05/76/49/206057649.db2.gz ZCERHIVKMDADDT-AVRDEDQJSA-N 0 0 398.522 4.399 40 0 GIABRN COc1cc(CNC(=O)COc2ccc3c(c2)CCCC3)ccc1OC(C)C ZINC000225580625 206058369 /nfs/dbraw/zinc/05/83/69/206058369.db2.gz RIFAKDWWBWFEEJ-UHFFFAOYSA-N 0 0 383.488 4.056 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F ZINC000225585883 206058412 /nfs/dbraw/zinc/05/84/12/206058412.db2.gz FSOFJIKGWKQQIF-XMSQKQJNSA-N 0 0 398.522 4.399 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)NCCCSCc2ccco2)c1C ZINC000225594499 206059184 /nfs/dbraw/zinc/05/91/84/206059184.db2.gz PAZUPGBHLDCGTN-UHFFFAOYSA-N 0 0 392.546 4.375 40 0 GIABRN Fc1ccc(CSCCCNC(=S)Nc2ccc3c(c2)OCCO3)cc1 ZINC000225615375 206061499 /nfs/dbraw/zinc/06/14/99/206061499.db2.gz OYIDAJRRBMYBQK-UHFFFAOYSA-N 0 0 392.521 4.207 40 0 GIABRN COC(=O)c1cc(NC(=S)N[C@@H](C)COc2ccccc2C)ccc1Cl ZINC000225636275 206062039 /nfs/dbraw/zinc/06/20/39/206062039.db2.gz UQLMSDAOFGGAKO-ZDUSSCGKSA-N 0 0 392.908 4.189 40 0 GIABRN COc1ccc(NC(=S)NCCCc2ccc(OC)c(OC)c2)cc1Cl ZINC000225627239 206062941 /nfs/dbraw/zinc/06/29/41/206062941.db2.gz NGLRXNSXRQMJSM-UHFFFAOYSA-N 0 0 394.924 4.285 40 0 GIABRN CCOc1ccc(CCCNC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 ZINC000225653191 206064674 /nfs/dbraw/zinc/06/46/74/206064674.db2.gz WVLNQGADHIYYPI-SFHVURJKSA-N 0 0 381.516 4.480 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C ZINC000225667387 206065300 /nfs/dbraw/zinc/06/53/00/206065300.db2.gz OWAJRUPLBGOSFC-XMSQKQJNSA-N 0 0 398.522 4.399 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C ZINC000225667470 206066265 /nfs/dbraw/zinc/06/62/65/206066265.db2.gz OWAJRUPLBGOSFC-AVRDEDQJSA-N 0 0 398.522 4.399 40 0 GIABRN CCn1c2ccc(S(=O)(=O)Nc3ccc4ccccc4c3)cc2sc1=O ZINC000225687061 206067618 /nfs/dbraw/zinc/06/76/18/206067618.db2.gz HIUGCJVJXVMZCF-UHFFFAOYSA-N 0 0 384.482 4.037 40 0 GIABRN COc1cccc(NC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1 ZINC000225760342 206074203 /nfs/dbraw/zinc/07/42/03/206074203.db2.gz QJYQKMQHQOBHBL-UHFFFAOYSA-N 0 0 389.455 4.312 40 0 GIABRN COc1ccc(NC(=O)c2snnc2-c2ccc(Cl)cc2)cc1OC ZINC000225770422 206074910 /nfs/dbraw/zinc/07/49/10/206074910.db2.gz NTRUHCDCCTYINH-UHFFFAOYSA-N 0 0 375.837 4.128 40 0 GIABRN COc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(OC)c2ncccc12 ZINC000225788558 206075495 /nfs/dbraw/zinc/07/54/95/206075495.db2.gz QNZBHVYVTJXOKE-AWEZNQCLSA-N 0 0 397.500 4.006 40 0 GIABRN C[C@H](NC(=O)c1snnc1-c1ccc(Br)cc1)c1ccccc1 ZINC000225782530 206075510 /nfs/dbraw/zinc/07/55/10/206075510.db2.gz QUMCNAWTTOOKFP-NSHDSACASA-N 0 0 388.290 4.459 40 0 GIABRN COC(=O)c1cccc(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)c1C ZINC000225790498 206075856 /nfs/dbraw/zinc/07/58/56/206075856.db2.gz OGGIHBOHXDCNCK-OAHLLOKOSA-N 0 0 386.517 4.152 40 0 GIABRN O=C(NC1CCCCCC1)c1snnc1-c1ccc(Br)cc1 ZINC000225782227 206076123 /nfs/dbraw/zinc/07/61/23/206076123.db2.gz MQPWEBHWFNGFRV-UHFFFAOYSA-N 0 0 380.311 4.420 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)ccc1OC(C)C ZINC000225808070 206076999 /nfs/dbraw/zinc/07/69/99/206076999.db2.gz KUKGOJVNFLEEFB-QVKFZJNVSA-N 0 0 377.481 4.184 40 0 GIABRN Cc1nc(Cc2ccccc2)ncc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000225794806 206077518 /nfs/dbraw/zinc/07/75/18/206077518.db2.gz UQMSMVZBRPULOI-UHFFFAOYSA-N 0 0 385.511 4.471 40 0 GIABRN COC(=O)c1cc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)ccc1OCC(C)C ZINC000225807618 206077774 /nfs/dbraw/zinc/07/77/74/206077774.db2.gz GXSMBPXWKGCPMQ-QVKFZJNVSA-N 0 0 377.481 4.042 40 0 GIABRN CC[C@@H](C)Oc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C(=O)OC ZINC000225807577 206078022 /nfs/dbraw/zinc/07/80/22/206078022.db2.gz KZWIPDTVVDPCMH-PZPWOCDFSA-N 0 0 377.481 4.184 40 0 GIABRN COc1ccc(-c2noc(CNC(=S)Nc3ccc(C(C)C)cc3)n2)cc1 ZINC000225823415 206078462 /nfs/dbraw/zinc/07/84/62/206078462.db2.gz WRAAXVJCOIMDGH-UHFFFAOYSA-N 0 0 382.489 4.355 40 0 GIABRN CC[C@H](C)Oc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1C(=O)OC ZINC000225810543 206078909 /nfs/dbraw/zinc/07/89/09/206078909.db2.gz CWOOGSILPQOCIX-DBWCEAHUSA-N 0 0 377.481 4.184 40 0 GIABRN O=C(Nc1cccc(Cl)c1)N1CCC2(CC1)CC(=O)c1ccc(O)cc1O2 ZINC000225819499 206078971 /nfs/dbraw/zinc/07/89/71/206078971.db2.gz XNZFFXHAGCUEPD-UHFFFAOYSA-N 0 0 386.835 4.078 40 0 GIABRN CCOC1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OC)c2)CCCCC1 ZINC000225829611 206079574 /nfs/dbraw/zinc/07/95/74/206079574.db2.gz AOORHBFXOYICCJ-UHFFFAOYSA-N 0 0 377.481 4.186 40 0 GIABRN CCOC(=O)c1cc(NC(=O)C2(OCC)CCCC2)ccc1O[C@H](C)CC ZINC000225828793 206079743 /nfs/dbraw/zinc/07/97/43/206079743.db2.gz DZWWCIMPLCPCCH-OAHLLOKOSA-N 0 0 377.481 4.328 40 0 GIABRN O=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1ccccc1F ZINC000225818706 206079754 /nfs/dbraw/zinc/07/97/54/206079754.db2.gz FXDPIKSUFNGESW-UHFFFAOYSA-N 0 0 390.212 4.210 40 0 GIABRN CCCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)cc1C(=O)OCC ZINC000225836029 206080302 /nfs/dbraw/zinc/08/03/02/206080302.db2.gz MCUSJJCEOGVXBC-OAQYLSRUSA-N 0 0 377.481 4.186 40 0 GIABRN CCOc1ccc(-c2noc(CNC(=S)Nc3ccc(CC)cc3)n2)cc1 ZINC000225830038 206081580 /nfs/dbraw/zinc/08/15/80/206081580.db2.gz XLOTWMKBYCVXKB-UHFFFAOYSA-N 0 0 382.489 4.184 40 0 GIABRN CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)OCCO4)n2)cc1 ZINC000225836288 206081642 /nfs/dbraw/zinc/08/16/42/206081642.db2.gz BPEHYVMOHNCTPF-UHFFFAOYSA-N 0 0 393.443 4.203 40 0 GIABRN COC(=O)c1c(NC(=O)COc2ccc3c(c2)CCCC3)sc2c1CCCC2 ZINC000225841957 206081695 /nfs/dbraw/zinc/08/16/95/206081695.db2.gz LRDJKGNRJBRUAF-UHFFFAOYSA-N 0 0 399.512 4.310 40 0 GIABRN COC(=O)c1cc(NC(=S)NC2(c3ccco3)CCCC2)ccc1Cl ZINC000225861584 206082375 /nfs/dbraw/zinc/08/23/75/206082375.db2.gz CGYUVTASMUZBSE-UHFFFAOYSA-N 0 0 378.881 4.476 40 0 GIABRN CCCOC1(C(=O)Nc2ccc(OCCOCC)nc2C)CCCCCC1 ZINC000225910218 206083535 /nfs/dbraw/zinc/08/35/35/206083535.db2.gz RTTUXSIPQPSHKY-UHFFFAOYSA-N 0 0 378.513 4.263 40 0 GIABRN CCOC(=O)Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 ZINC000225898869 206083797 /nfs/dbraw/zinc/08/37/97/206083797.db2.gz YWWSVHXMIHVZMO-UHFFFAOYSA-N 0 0 384.819 4.353 40 0 GIABRN CCCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCC(C)CC2)n1 ZINC000225885749 206084372 /nfs/dbraw/zinc/08/43/72/206084372.db2.gz XHTNZMFMNVEHSA-UHFFFAOYSA-N 0 0 385.537 4.202 40 0 GIABRN COc1ccc(NC(=O)C2(C)COC(c3cccc(C(F)(F)F)c3)OC2)cc1 ZINC000225920461 206085098 /nfs/dbraw/zinc/08/50/98/206085098.db2.gz ATITURSBOXWETC-UHFFFAOYSA-N 0 0 395.377 4.404 40 0 GIABRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)c1 ZINC000225927490 206085951 /nfs/dbraw/zinc/08/59/51/206085951.db2.gz KIOWKGYKRYMRKN-UHFFFAOYSA-N 0 0 385.489 4.201 40 0 GIABRN COc1cc(C)nc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)n1 ZINC000225922344 206086223 /nfs/dbraw/zinc/08/62/23/206086223.db2.gz GJEAIXLTJKBLGL-UHFFFAOYSA-N 0 0 388.880 4.194 40 0 GIABRN Cc1cc(NC(=O)CCNC(=O)c2ccc3nc(Cl)sc3c2)ccc1F ZINC000225980072 206087707 /nfs/dbraw/zinc/08/77/07/206087707.db2.gz LDSHFLFPGAVLFY-UHFFFAOYSA-N 0 0 391.855 4.156 40 0 GIABRN CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1O2 ZINC000096111609 206115232 /nfs/dbraw/zinc/11/52/32/206115232.db2.gz MJZBDZGHHZGITA-ICSRJNTNSA-N 0 0 392.499 4.018 40 0 biogenic,in-vitro GIABRN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000123366804 206111415 /nfs/dbraw/zinc/11/14/15/206111415.db2.gz ICLVBZVECAGRBZ-PJPXKQQPSA-N 0 0 390.520 4.072 40 0 GIABRN CCc1nccn1CC(=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257201502 206157343 /nfs/dbraw/zinc/15/73/43/206157343.db2.gz AHXQWXKJWURHLQ-GOSISDBHSA-N 0 0 398.894 4.041 40 0 GIABRN COc1ncccc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257210776 206158985 /nfs/dbraw/zinc/15/89/85/206158985.db2.gz BWDRJWQIPFWHLK-GOSISDBHSA-N 0 0 397.862 4.300 40 0 GIABRN C[C@@]1(NC(=O)CCO)C[C@H](c2cccc(F)c2)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257204513 206159901 /nfs/dbraw/zinc/15/99/01/206159901.db2.gz AUYRVOHGDHKYOI-ZVDOUQERSA-N 0 0 391.870 4.329 40 0 GIABRN Cc1cccc(Nc2ccc([C@@H]3CCCCN3C(=O)Cc3cccnc3)cn2)n1 ZINC000257218037 206160508 /nfs/dbraw/zinc/16/05/08/206160508.db2.gz DBPRMDAXWKDLEN-FQEVSTJZSA-N 0 0 387.487 4.220 40 0 GIABRN O=C(c1cncnc1)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257223337 206160802 /nfs/dbraw/zinc/16/08/02/206160802.db2.gz DWXFXCQRUOQZCZ-GOSISDBHSA-N 0 0 382.851 4.076 40 0 GIABRN O=C([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](Cc3ccccn3)C2)o1 ZINC000257217525 206160816 /nfs/dbraw/zinc/16/08/16/206160816.db2.gz CZIUSYOLVSEJRG-QGZVFWFLSA-N 0 0 376.456 4.495 40 0 GIABRN Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)c3cnc(C)nc3C)C2)n1 ZINC000257218621 206160965 /nfs/dbraw/zinc/16/09/65/206160965.db2.gz DDUXFBPHXPMXRZ-HXUWFJFHSA-N 0 0 386.499 4.484 40 0 GIABRN O=C([O-])c1ccccc1-c1ccc(C[NH+]2CCC(Cc3cccnn3)CC2)cc1 ZINC000257218167 206161278 /nfs/dbraw/zinc/16/12/78/206161278.db2.gz DCCNYFOLWDWOII-UHFFFAOYSA-N 0 0 387.483 4.297 40 0 GIABRN C[C@]1(O)CCN(C(=O)c2ccccc2Cl)C[C@@H]1Oc1cccc(Cl)c1 ZINC000257223590 206162223 /nfs/dbraw/zinc/16/22/23/206162223.db2.gz DYAGMISSMQOYGF-HKUYNNGSSA-N 0 0 380.271 4.038 40 0 GIABRN O=C(c1cncnc1)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257223338 206161740 /nfs/dbraw/zinc/16/17/40/206161740.db2.gz DWXFXCQRUOQZCZ-SFHVURJKSA-N 0 0 382.851 4.076 40 0 GIABRN CCOC(=O)c1ccc(Oc2ccc(NC(=O)c3cc(N)cc(N)c3)cc2)cc1 ZINC000255189064 206150646 /nfs/dbraw/zinc/15/06/46/206150646.db2.gz NLMYMBKDEBMGLW-UHFFFAOYSA-N 0 0 391.427 4.072 40 0 GIABRN CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OC)c4OC)OCC[C@]13C2 ZINC000257274195 206171126 /nfs/dbraw/zinc/17/11/26/206171126.db2.gz NJXOSBBYYPJNSU-YFHVCWELSA-N 0 0 387.520 4.112 40 0 GIABRN CCOc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(C)=O)ccc1OC ZINC000257312105 206178236 /nfs/dbraw/zinc/17/82/36/206178236.db2.gz UMOCKJJNUATKOI-KKLOIMHHSA-N 0 0 387.520 4.112 40 0 GIABRN O=C(c1cncs1)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257281798 206172149 /nfs/dbraw/zinc/17/21/49/206172149.db2.gz ORAUUPWXHPAVSY-CQSZACIVSA-N 0 0 387.892 4.395 40 0 GIABRN Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCCN2C(=O)c2ccc(O)cc2)n1 ZINC000257286781 206173065 /nfs/dbraw/zinc/17/30/65/206173065.db2.gz PNADYXCGMXMUHT-IBGZPJMESA-N 0 0 392.459 4.130 40 0 GIABRN COc1cc([C@H]2C[C@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)ccc1OC(F)F ZINC000257295916 206174319 /nfs/dbraw/zinc/17/43/19/206174319.db2.gz RALISIXGLNYYCA-DCAOPYJOSA-N 0 0 397.462 4.458 40 0 GIABRN Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)C1 ZINC000257292951 206174507 /nfs/dbraw/zinc/17/45/07/206174507.db2.gz QNOWHINNUHYVDH-IBGZPJMESA-N 0 0 375.472 4.463 40 0 GIABRN Cn1nccc1CC1CC[NH+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)CC1 ZINC000257307755 206175817 /nfs/dbraw/zinc/17/58/17/206175817.db2.gz TTYRYPWQTXDPCJ-UHFFFAOYSA-N 0 0 389.499 4.240 40 0 GIABRN Cc1cccnc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257310523 206176162 /nfs/dbraw/zinc/17/61/62/206176162.db2.gz UFKUFLUCNQXBQQ-IBGZPJMESA-N 0 0 379.435 4.475 40 0 GIABRN Cc1ccc(OCC(=O)N2CCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)cc1 ZINC000257311217 206176620 /nfs/dbraw/zinc/17/66/20/206176620.db2.gz UILHXIMAMHLJQK-NRFANRHFSA-N 0 0 394.446 4.455 40 0 GIABRN CCC[C@H]1CCN(C(=O)CCc2c(C)noc2C)C[C@H]1Nc1cccc(F)c1 ZINC000257308862 206177208 /nfs/dbraw/zinc/17/72/08/206177208.db2.gz TYMXITXTBNELDO-LAUBAEHRSA-N 0 0 387.499 4.492 40 0 GIABRN COc1cc(CC(=O)N2CCC[C@@H](Nc3ccccc3)[C@H]2CC(C)C)ccc1O ZINC000257240750 206163758 /nfs/dbraw/zinc/16/37/58/206163758.db2.gz HVAKBSJSJQFZSY-NHCUHLMSSA-N 0 0 396.531 4.461 40 0 GIABRN CC(C)(C)OC(=O)N1CCC[C@]12CO[C@H]1c3cccc(O)c3OC(C)(C)[C@@H]1C2 ZINC000257239373 206164065 /nfs/dbraw/zinc/16/40/65/206164065.db2.gz HOZCNJJGMJTQTR-ZWWNWMABSA-N 0 0 389.492 4.411 40 0 GIABRN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)c1C ZINC000257235913 206164232 /nfs/dbraw/zinc/16/42/32/206164232.db2.gz HABNUSIMPAWXBL-LJQANCHMSA-N 0 0 396.466 4.366 40 0 GIABRN COc1ncccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 ZINC000257240688 206165079 /nfs/dbraw/zinc/16/50/79/206165079.db2.gz HURVEXUMYWOBAT-LJQANCHMSA-N 0 0 377.444 4.036 40 0 GIABRN O=C(c1cccnc1)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 ZINC000257239863 206165220 /nfs/dbraw/zinc/16/52/20/206165220.db2.gz HRCUQYWWBNFYBM-AZUAARDMSA-N 0 0 398.890 4.270 40 0 GIABRN COc1ncccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257259692 206168026 /nfs/dbraw/zinc/16/80/26/206168026.db2.gz KZNMZXFQTRQMQN-IBGZPJMESA-N 0 0 395.434 4.176 40 0 GIABRN CC(C)(C)C(=O)N1CCC[C@@H]1c1cccc(N2CC3(CCCCC3)OC2=O)n1 ZINC000257257450 206168219 /nfs/dbraw/zinc/16/82/19/206168219.db2.gz KPOZRFQNHQZKNB-QGZVFWFLSA-N 0 0 385.508 4.451 40 0 GIABRN COc1cccc(Cc2cnc([C@@H]3CCCN3C(=O)c3scnc3C)o2)c1 ZINC000257259476 206168518 /nfs/dbraw/zinc/16/85/18/206168518.db2.gz KYPAMKVGMJVAKU-KRWDZBQOSA-N 0 0 383.473 4.016 40 0 GIABRN Cc1nc(C)c(CC(=O)N2C[C@@H]3CC[C@H](Oc4ccccc4Cl)[C@@H]3C2)s1 ZINC000257256866 206168581 /nfs/dbraw/zinc/16/85/81/206168581.db2.gz KNFVBFCIVAFLKN-UXLLHSPISA-N 0 0 390.936 4.272 40 0 GIABRN C[C@H](O)[C@@H](O)[C@H](Nc1ccc(OC2CCCC2)cc1)c1ccc2ncccc2c1 ZINC000257255424 206168780 /nfs/dbraw/zinc/16/87/80/206168780.db2.gz KHLAZJZKKPUPQS-NAKSJZFLSA-N 0 0 392.499 4.451 40 0 GIABRN COc1cccc(C(=O)N2CC[C@H](Cc3cccc(-c4c(C)noc4C)n3)C2)c1 ZINC000257265328 206169661 /nfs/dbraw/zinc/16/96/61/206169661.db2.gz LYFISJIXMRNDKP-QGZVFWFLSA-N 0 0 391.471 4.067 40 0 GIABRN CCCCC(=O)N1CCC(Cc2cc(Nc3cc(C)[nH]n3)nc(C3CC3)n2)CC1 ZINC000257269231 206170093 /nfs/dbraw/zinc/17/00/93/206170093.db2.gz MPDAJISKJCBURY-UHFFFAOYSA-N 0 0 396.539 4.100 40 0 GIABRN Cc1ncc(CN2CCO[C@@H](c3cccc(Cc4ccccc4F)n3)C2)s1 ZINC000257267181 206170258 /nfs/dbraw/zinc/17/02/58/206170258.db2.gz MGFXCMUAJMUYIC-OAQYLSRUSA-N 0 0 383.492 4.150 40 0 GIABRN CC(C)C(=O)N1CCC(Cc2ccccc2-c2cccs2)(C(=O)N(C)C)CC1 ZINC000257276489 206170857 /nfs/dbraw/zinc/17/08/57/206170857.db2.gz NTZCGRDPNCSWPB-UHFFFAOYSA-N 0 0 398.572 4.311 40 0 GIABRN C[C@@H](OC(=O)c1ccccc1)C(=O)OCCCCCC(=O)OCc1ccccc1 ZINC000263583709 206184594 /nfs/dbraw/zinc/18/45/94/206184594.db2.gz URTKBPOZBABYNW-GOSISDBHSA-N 0 0 398.455 4.079 40 0 GIABRN Cc1cc(Br)cc(C)c1Nc1cc(C2CC2)nc(NC(C)C)n1 ZINC000329064382 206184976 /nfs/dbraw/zinc/18/49/76/206184976.db2.gz XJQWPGXLKZDTRA-UHFFFAOYSA-N 0 0 375.314 4.141 40 0 GIABRN C[C@@H](C(=O)N(C)C[C@H]1CC[C@H](c2cc(CN(C)C)n(C)n2)CC1)c1ccccc1 ZINC000257319622 206178946 /nfs/dbraw/zinc/17/89/46/206178946.db2.gz VTIPMLNRLKSFAN-SFHLNBCPSA-N 0 0 396.579 4.018 40 0 GIABRN CCc1nnc(Nc2cccc([C@H]3CN(Cc4ccccc4C)CCO3)n2)s1 ZINC000257327403 206180416 /nfs/dbraw/zinc/18/04/16/206180416.db2.gz XBEOWBARRIXILS-GOSISDBHSA-N 0 0 395.532 4.121 40 0 GIABRN Cc1nc(C(=O)N2CCC3(CC2)CO[C@@H]2c4ccccc4OC(C)(C)[C@H]2C3)co1 ZINC000257324494 206180679 /nfs/dbraw/zinc/18/06/79/206180679.db2.gz WOXGNUGLIFDXQJ-FXAWDEMLSA-N 0 0 396.487 4.154 40 0 GIABRN Cc1ccc(-c2ccc3c([C@@H]4CN(Cc5ccsc5)CCO4)nnn3c2)cc1 ZINC000306138384 206204437 /nfs/dbraw/zinc/20/44/37/206204437.db2.gz RWEYPYXRNMHEIT-NRFANRHFSA-N 0 0 390.512 4.340 40 0 GIABRN Cc1cccc(CN2CCN(C)[C@@H](c3ncn4cc(-c5ccccc5)ccc34)C2)n1 ZINC000306142338 206206383 /nfs/dbraw/zinc/20/63/83/206206383.db2.gz WWGFQZSUMAGHIK-XMMPIXPASA-N 0 0 397.526 4.193 40 0 GIABRN O=C(c1ccoc1)N1CCC[C@@H](c2nc3ccc(-c4cccs4)cn3n2)C1 ZINC000306130492 206199985 /nfs/dbraw/zinc/19/99/85/206199985.db2.gz JIBJQZXFXUPCOZ-OAHLLOKOSA-N 0 0 378.457 4.071 40 0 GIABRN C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N21 ZINC000002801606 206212032 /nfs/dbraw/zinc/21/20/32/206212032.db2.gz LOXDNFDQUOVHBE-GTNSWQLSSA-N 0 0 381.888 4.441 40 0 GIABRN Cc1cccc2nc(NC(=O)CCCC(=O)OCC(F)(F)C(F)F)sc21 ZINC000002752639 206212615 /nfs/dbraw/zinc/21/26/15/206212615.db2.gz QYVYZYBECPQYTE-UHFFFAOYSA-N 0 0 392.374 4.157 40 0 GIABRN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)ccc1Cl ZINC000001466581 206212783 /nfs/dbraw/zinc/21/27/83/206212783.db2.gz DTVMJKUQAUAWGB-UHFFFAOYSA-N 0 0 377.227 4.008 40 0 GIABRN COc1cc(OC)cc(-c2nnc3sc(/C=C/c4ccc(C)cc4)nn32)c1 ZINC000004769853 206214428 /nfs/dbraw/zinc/21/44/28/206214428.db2.gz BYOHZIQQSIGEOW-CMDGGOBGSA-N 0 0 378.457 4.349 40 0 GIABRN CCOC(=O)C=C(Nc1ccc2[nH]c(-c3ccccc3)cc2c1)C(=O)OCC ZINC000004709042 206215053 /nfs/dbraw/zinc/21/50/53/206215053.db2.gz VSCHTSSQYSISEK-XSFVSMFZSA-N 0 0 378.428 4.257 40 0 GIABRN CCn1c2ccccc2nc1NC(=O)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000006395813 206219196 /nfs/dbraw/zinc/21/91/96/206219196.db2.gz RJHLPBYNFLGCDW-UHFFFAOYSA-N 0 0 396.401 4.166 40 0 GIABRN COc1ccc([C@H]2CC(=O)c3nnc4c(-c5ccccc5)c(C)nn4c3C2)cc1 ZINC000014164737 533202310 /nfs/dbraw/zinc/20/23/10/533202310.db2.gz SLSJOJCRSCWOPC-QGZVFWFLSA-N 0 0 384.439 4.021 40 0 GIABRN Cn1nc(C(F)(F)F)cc1[C@@H]1CCCCCN1C(=O)c1cc(C2CC2)on1 ZINC000012119638 221153583 /nfs/dbraw/zinc/15/35/83/221153583.db2.gz UXHGPUFCPFTIFI-ZDUSSCGKSA-N 0 0 382.386 4.062 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000014022838 221297386 /nfs/dbraw/zinc/29/73/86/221297386.db2.gz BTCQFTPERLRAPT-OAQYLSRUSA-N 0 0 380.488 4.417 40 0 GIABRN O=C(NCCc1ccc(Cl)cc1)c1cc(C2CCOCC2)c2cnccc2n1 ZINC000019333661 221408296 /nfs/dbraw/zinc/40/82/96/221408296.db2.gz OWCRUVFXYJCPAW-UHFFFAOYSA-N 0 0 395.890 4.150 40 0 GIABRN COc1cc(NC(=O)COc2cccc(C)c2C)ccc1-c1ccc(CO)o1 ZINC000020144026 221474929 /nfs/dbraw/zinc/47/49/29/221474929.db2.gz MZTKLRCTGCRNDV-UHFFFAOYSA-N 0 0 381.428 4.082 40 0 GIABRN COc1ccc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)cc1OC ZINC000408804817 533242045 /nfs/dbraw/zinc/24/20/45/533242045.db2.gz BNMSKHQYWUJTSQ-UHFFFAOYSA-N 0 0 389.884 4.429 40 0 GIABRN COc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(C)c2C)cc1 ZINC000408593535 533319547 /nfs/dbraw/zinc/31/95/47/533319547.db2.gz AUOQINVXFMQGCO-UHFFFAOYSA-N 0 0 393.306 4.201 40 0 GIABRN COc1cccc(/C=C2\SC(Nc3cc(Cl)ccc3OC)NC2=O)c1 ZINC000408815369 533387130 /nfs/dbraw/zinc/38/71/30/533387130.db2.gz RFUCVDHGYJIADZ-UHFFFAOYSA-N 0 0 375.857 4.120 40 0 GIABRN COc1c(C)cccc1C(=O)NC(=S)Nc1nc2c(cc(C)cc2C)s1 ZINC000408628400 533406398 /nfs/dbraw/zinc/40/63/98/533406398.db2.gz SLRQTQRHKGSPDT-UHFFFAOYSA-N 0 0 385.514 4.357 40 0 GIABRN COc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)cc(Br)c1O ZINC000408733811 533456647 /nfs/dbraw/zinc/45/66/47/533456647.db2.gz AGSDZCLWPDYRBN-UHFFFAOYSA-N 0 0 381.251 4.157 40 0 GIABRN COc1cc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)ccc1O ZINC000408812042 533475048 /nfs/dbraw/zinc/47/50/48/533475048.db2.gz LAMHABPXWPCBRB-UHFFFAOYSA-N 0 0 375.857 4.126 40 0 GIABRN COc1cc(C)c(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC ZINC000408549674 533565345 /nfs/dbraw/zinc/56/53/45/533565345.db2.gz WQGOJOQQYUHSIE-ZDLGFXPLSA-N 0 0 387.432 4.388 40 0 GIABRN COc1cccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)c1 ZINC000409153993 533605966 /nfs/dbraw/zinc/60/59/66/533605966.db2.gz JIAKEJBWSLPVFD-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000081846670 136173366 /nfs/dbraw/zinc/17/33/66/136173366.db2.gz BFKJCKWEPHLVTD-UHFFFAOYSA-N 0 0 378.516 4.155 40 0 GIABRN Cc1ccc(NC(=O)c2nc3c(s2)CCCN3c2ccc(C)nn2)c(F)c1 ZINC000096062700 136183475 /nfs/dbraw/zinc/18/34/75/136183475.db2.gz HZYYNRXGZVHKQJ-UHFFFAOYSA-N 0 0 383.452 4.026 40 0 GIABRN Cc1cc(C)c(C)c(OCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 ZINC000218965928 136203898 /nfs/dbraw/zinc/20/38/98/136203898.db2.gz JBEDUDDODUBSKK-UHFFFAOYSA-N 0 0 386.923 4.301 40 0 GIABRN CCCOc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000218981294 136203936 /nfs/dbraw/zinc/20/39/36/136203936.db2.gz QGPXZQAJTKVMDM-UHFFFAOYSA-N 0 0 392.421 4.457 40 0 GIABRN O=C(CSCc1ccc(Cl)cc1F)N1CCN(c2ccc(F)cc2)CC1 ZINC000223228154 136205680 /nfs/dbraw/zinc/20/56/80/136205680.db2.gz UJGNZVXWOJWOFH-UHFFFAOYSA-N 0 0 396.890 4.200 40 0 GIABRN Fc1ccc(CNC(=S)Nc2ccc(N3CCc4ccccc4C3)nc2)cc1 ZINC000223948096 136206122 /nfs/dbraw/zinc/20/61/22/136206122.db2.gz QGHXJEZDKCGIDI-UHFFFAOYSA-N 0 0 392.503 4.270 40 0 GIABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000224322470 136206808 /nfs/dbraw/zinc/20/68/08/136206808.db2.gz FLOQMEAORWCXSU-SFHVURJKSA-N 0 0 384.495 4.374 40 0 GIABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@]13O[C@H]3C[C@@H]2c1ccc(=O)oc1 ZINC000118915237 222523530 /nfs/dbraw/zinc/52/35/30/222523530.db2.gz ATLJNLYIJOCWJE-JDXCFWIOSA-N 0 0 384.516 4.258 40 0 GIABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)c1 ZINC000408564071 533687224 /nfs/dbraw/zinc/68/72/24/533687224.db2.gz XKYFQKXCOSSOIW-UHFFFAOYSA-N 0 0 387.505 4.122 40 0 GIABRN COC(=O)c1cc(-c2ccc(/C=C3/SC(=O)N(C)C3=O)o2)ccc1Cl ZINC000409314275 533714985 /nfs/dbraw/zinc/71/49/85/533714985.db2.gz FMULKHPZADXISN-RIYZIHGNSA-N 0 0 377.805 4.053 40 0 GIABRN Cc1ccc(CN2C(=O)N/C(=C/c3cccn3-c3ccc(C)cc3C)C2=O)cc1 ZINC000409244974 533911805 /nfs/dbraw/zinc/91/18/05/533911805.db2.gz LNLVTNVICQRQFX-KGENOOAVSA-N 0 0 385.467 4.495 40 0 GIABRN C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccccc1 ZINC000408707932 534022996 /nfs/dbraw/zinc/02/29/96/534022996.db2.gz MRIDIMUDIMYUOE-ZFWWWQNUSA-N 0 0 391.298 4.266 40 0 GIABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cccnc3)ccc2C)c1 ZINC000408543046 534081906 /nfs/dbraw/zinc/08/19/06/534081906.db2.gz CERPHPGXINWUMY-UHFFFAOYSA-N 0 0 395.484 4.060 40 0 GIABRN C[C@H](NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)c1ccccc1 ZINC000408704557 534198958 /nfs/dbraw/zinc/19/89/58/534198958.db2.gz POLPDLZPQWMLQD-INIZCTEOSA-N 0 0 394.496 4.006 40 0 GIABRN Cc1nc(NC(=O)c2ccc3ccccc3c2)ccc1I ZINC000408619234 534485255 /nfs/dbraw/zinc/48/52/55/534485255.db2.gz ALKJBWKPYHLQQQ-UHFFFAOYSA-N 0 0 388.208 4.400 40 0 GIABRN Cc1cccc(-n2cccc2/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1C ZINC000409114089 534566725 /nfs/dbraw/zinc/56/67/25/534566725.db2.gz INYRTALVACCTOF-DEDYPNTBSA-N 0 0 389.430 4.326 40 0 GIABRN Cc1cccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c1C ZINC000409100394 534568203 /nfs/dbraw/zinc/56/82/03/534568203.db2.gz NACUWDZJHJQNAP-WOJGMQOQSA-N 0 0 398.484 4.082 40 0 GIABRN O=C(NCc1ccccc1)c1c2c(sc1NC(=O)c1cccnc1)CCCC2 ZINC000409115703 534677625 /nfs/dbraw/zinc/67/76/25/534677625.db2.gz NQAWHHJRUZJKLO-UHFFFAOYSA-N 0 0 391.496 4.204 40 0 GIABRN O=C(c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CCCCC1 ZINC000408979159 534728852 /nfs/dbraw/zinc/72/88/52/534728852.db2.gz PGYWPZLTDRBXHK-UHFFFAOYSA-N 0 0 395.466 4.380 40 0 GIABRN O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 ZINC000020765599 534743590 /nfs/dbraw/zinc/74/35/90/534743590.db2.gz TXUNSWUEEIOICD-UHFFFAOYSA-N 0 0 392.480 4.080 40 0 GIABRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 ZINC000408610848 534825899 /nfs/dbraw/zinc/82/58/99/534825899.db2.gz UPXSTTQHPGJPGZ-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN CC(C)(C)c1ccc(C(=O)N=c2sccn2CC(=O)c2ccccc2)cc1 ZINC000409205862 526763009 /nfs/dbraw/zinc/76/30/09/526763009.db2.gz KVIJVVNBRHKGIM-LNVKXUELSA-N 0 0 378.497 4.471 40 0 GIABRN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000118929129 527118372 /nfs/dbraw/zinc/11/83/72/527118372.db2.gz HEWMFRQFEUGQOK-RUINFSKGSA-N 0 0 390.520 4.072 40 0 GIABRN CC(=O)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000408667873 527399605 /nfs/dbraw/zinc/39/96/05/527399605.db2.gz QMUNQGOADCLKAE-LBPRGKRZSA-N 0 0 392.238 4.155 40 0 GIABRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(OC)cc(OC)c2)c1 ZINC000103247995 527962341 /nfs/dbraw/zinc/96/23/41/527962341.db2.gz XPDLYQIPIHGENF-UHFFFAOYSA-N 0 0 376.840 4.348 40 0 GIABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(F)cc2)c1 ZINC000006263886 527962448 /nfs/dbraw/zinc/96/24/48/527962448.db2.gz VSHIINJNXRILBZ-UHFFFAOYSA-N 0 0 393.871 4.345 40 0 GIABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1 ZINC000408591962 528046522 /nfs/dbraw/zinc/04/65/22/528046522.db2.gz MQCBICLKOIMISV-UHFFFAOYSA-N 0 0 393.534 4.083 40 0 GIABRN CC(C)COc1cccc(C(=O)NC(=S)Nc2ccccc2OC(F)F)c1 ZINC000408624825 528166956 /nfs/dbraw/zinc/16/69/56/528166956.db2.gz CGKSRDPYVINXDD-UHFFFAOYSA-N 0 0 394.443 4.450 40 0 GIABRN CCOc1cc(/C=C2/c3ccccc3N(CC)C2=O)cc(Br)c1O ZINC000409116798 528196281 /nfs/dbraw/zinc/19/62/81/528196281.db2.gz LTJXZOOFBDKQOK-ZROIWOOFSA-N 0 0 388.261 4.461 40 0 GIABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000006205268 528221086 /nfs/dbraw/zinc/22/10/86/528221086.db2.gz BDGKYHIFJJSRIO-VGOFMYFVSA-N 0 0 392.908 4.022 40 0 GIABRN CCOc1cc(CNc2ccc(C)cc2)cc(I)c1O ZINC000409115222 528285374 /nfs/dbraw/zinc/28/53/74/528285374.db2.gz KQFNXBIICALIPL-UHFFFAOYSA-N 0 0 383.229 4.316 40 0 GIABRN CCOc1cc(CNc2nn[nH]n2)ccc1OCc1ccc(Cl)cc1Cl ZINC000004943030 528288081 /nfs/dbraw/zinc/28/80/81/528288081.db2.gz IEIDIBUBCKBWBI-UHFFFAOYSA-N 0 0 394.262 4.096 40 0 GIABRN CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000409098666 528358812 /nfs/dbraw/zinc/35/88/12/528358812.db2.gz JFSWWYGLGBMVTP-UHFFFAOYSA-N 0 0 396.516 4.322 40 0 GIABRN CCOc1ccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc1Cl ZINC000408791059 528374126 /nfs/dbraw/zinc/37/41/26/528374126.db2.gz VKEAYTPDPFKMPS-ZDLGFXPLSA-N 0 0 384.888 4.126 40 0 GIABRN CCOC(=O)c1sc(NC(=O)c2ccco2)c(C(=O)Nc2ccccc2)c1C ZINC000409118756 528400549 /nfs/dbraw/zinc/40/05/49/528400549.db2.gz NZVRWRLAPUWMCH-UHFFFAOYSA-N 0 0 398.440 4.331 40 0 GIABRN CCCNC(=O)c1cc(S(=O)(=O)Nc2c(CC)cccc2CC)ccc1C ZINC000408611515 528444424 /nfs/dbraw/zinc/44/44/24/528444424.db2.gz XHRRBDQDSZMTEQ-UHFFFAOYSA-N 0 0 388.533 4.060 40 0 GIABRN CCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1Cl ZINC000408585387 528588188 /nfs/dbraw/zinc/58/81/88/528588188.db2.gz GCNOVKBRSRISMK-UHFFFAOYSA-N 0 0 390.686 4.302 40 0 GIABRN CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 ZINC000408662162 528607618 /nfs/dbraw/zinc/60/76/18/528607618.db2.gz MRTYFYBJOQYFSC-INIZCTEOSA-N 0 0 381.472 4.341 40 0 GIABRN CCCCOc1ccc(C(=O)N=c2sccn2CC(=O)c2ccccc2)cc1 ZINC000409198380 528658062 /nfs/dbraw/zinc/65/80/62/528658062.db2.gz FFWIFHVYJIOELC-FCQUAONHSA-N 0 0 394.496 4.353 40 0 GIABRN CCOC(=O)Cn1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)c2ccccc21 ZINC000409015643 528920471 /nfs/dbraw/zinc/92/04/71/528920471.db2.gz RROJZPZCCUBTFU-VGSSETLESA-N 0 0 386.473 4.039 40 0 GIABRN CCN1C(=O)/C(=C\c2cc(Br)c(OC)cc2OC)c2ccccc21 ZINC000409110397 528944744 /nfs/dbraw/zinc/94/47/44/528944744.db2.gz VQISAYYUJSMLBA-ZROIWOOFSA-N 0 0 388.261 4.373 40 0 GIABRN CCOC(=O)N[C@H](CC(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000408980005 529100854 /nfs/dbraw/zinc/10/08/54/529100854.db2.gz PHTCBXAMGWCADN-MRXNPFEDSA-N 0 0 391.265 4.265 40 0 GIABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)ccc1OC ZINC000408587995 529107002 /nfs/dbraw/zinc/10/70/02/529107002.db2.gz VSALDMCJHXZIQX-UHFFFAOYSA-N 0 0 398.868 4.026 40 0 GIABRN CCOC(=O)Nc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000408555928 529112098 /nfs/dbraw/zinc/11/20/98/529112098.db2.gz XSUUGQGOGAYGML-UHFFFAOYSA-N 0 0 389.260 4.363 40 0 GIABRN CC(C)Nc1nc(C2CC2)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC000329022640 529115589 /nfs/dbraw/zinc/11/55/89/529115589.db2.gz OOIHIUKSCJRAGH-UHFFFAOYSA-N 0 0 392.425 4.058 40 0 GIABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCN1CCCc2ccccc21 ZINC000219383639 535817745 /nfs/dbraw/zinc/81/77/45/535817745.db2.gz JYMHPVVDWABOMV-JOCHJYFZSA-N 0 0 380.532 4.420 40 0 GIABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCCN1CCCc2ccccc21 ZINC000222975631 536045224 /nfs/dbraw/zinc/04/52/24/536045224.db2.gz UKACEOFWNVPNCL-QFIPXVFZSA-N 0 0 380.532 4.420 40 0 GIABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000223012977 536046016 /nfs/dbraw/zinc/04/60/16/536046016.db2.gz ICGSZJFGFZZMOP-FQEVSTJZSA-N 0 0 390.886 4.294 40 0 GIABRN COc1ccc(Br)cc1C(=O)Nc1ccc(Br)cc1 ZINC000014784323 570897934 /nfs/dbraw/zinc/89/79/34/570897934.db2.gz FPJDSDUBABFVMQ-UHFFFAOYSA-N 0 0 385.055 4.473 40 0 GIABRN O=C(c1ccc(F)cc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(C3CCCCC3)c12 ZINC000005434161 560202004 /nfs/dbraw/zinc/20/20/04/560202004.db2.gz RNTUKDMFWILJAG-QFBILLFUSA-N 0 0 394.490 4.295 40 0 biogenic,in-vitro GIABRN COc1ccc(-c2cc(C(=O)Nc3cc(-c4csnn4)ccc3C)on2)cc1 ZINC000019718928 570210160 /nfs/dbraw/zinc/21/01/60/570210160.db2.gz CSPDAYQLUFEEOT-UHFFFAOYSA-N 0 0 392.440 4.429 40 0 GIABRN CCNc1nc(Nc2ccc(O)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329008141 570211777 /nfs/dbraw/zinc/21/17/77/570211777.db2.gz LQCHRUUKFIPHJJ-UHFFFAOYSA-N 0 0 390.365 4.345 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc(Nc2cc(Cl)ccc2Cl)cc(C2CC2)n1 ZINC000329015365 570212484 /nfs/dbraw/zinc/21/24/84/570212484.db2.gz NAMSNMMNNONIQL-MRXNPFEDSA-N 0 0 381.307 4.255 40 0 GIABRN OCCCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)n1 ZINC000329038609 570214002 /nfs/dbraw/zinc/21/40/02/570214002.db2.gz RSZYCYBZWMZYJK-UHFFFAOYSA-N 0 0 388.393 4.122 40 0 GIABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccncc2)nc(NC(C)C)n1 ZINC000329049555 570215173 /nfs/dbraw/zinc/21/51/73/570215173.db2.gz UQANMODOLVQVMR-UHFFFAOYSA-N 0 0 387.409 4.274 40 0 GIABRN Cc1cc(Br)ccc1Nc1cc(-c2cccnc2)nc(NC2CC2)n1 ZINC000329052495 570215235 /nfs/dbraw/zinc/21/52/35/570215235.db2.gz VBPKPPAYEJXLQP-UHFFFAOYSA-N 0 0 396.292 4.349 40 0 GIABRN FC(F)(F)Oc1ccc2c(c1)CN(c1cc(NC3CC3)nc(C3CC3)n1)CC2 ZINC000329050849 570215246 /nfs/dbraw/zinc/21/52/46/570215246.db2.gz UVERIKGIVXCHOJ-UHFFFAOYSA-N 0 0 390.409 4.390 40 0 GIABRN CC(C)(C)Nc1nc(Nc2ccc(N3CCOCC3)cc2)cc(C(F)(F)F)n1 ZINC000329055547 570215705 /nfs/dbraw/zinc/21/57/05/570215705.db2.gz VPDYDPHNJUDNDL-UHFFFAOYSA-N 0 0 395.429 4.286 40 0 GIABRN CC[C@H](C)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(C2CC2)n1 ZINC000329066135 570215986 /nfs/dbraw/zinc/21/59/86/570215986.db2.gz XXISCDNYTTVAKW-HNNXBMFYSA-N 0 0 380.536 4.355 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2cccc(Br)c2)cc(-c2ccncc2)n1 ZINC000329063818 570216016 /nfs/dbraw/zinc/21/60/16/570216016.db2.gz XFEUXSVWINNWMO-ZDUSSCGKSA-N 0 0 398.308 4.099 40 0 GIABRN FC(F)(F)Oc1ccc(Nc2cc(C3CC3)nc(NC3CC3)n2)cc1Cl ZINC000329064011 570216095 /nfs/dbraw/zinc/21/60/95/570216095.db2.gz XHFQXAMMMHFMSL-UHFFFAOYSA-N 0 0 384.789 4.068 40 0 GIABRN Cc1cc(C)cc(Nc2cc(-c3ccccc3)nc(N[C@@H](CO)C(C)C)n2)c1 ZINC000329066324 570216161 /nfs/dbraw/zinc/21/61/61/570216161.db2.gz XZXFLDTVRMABCP-NRFANRHFSA-N 0 0 376.504 4.355 40 0 GIABRN COc1ccccc1[C@H]1CC(=O)c2cn3nc(SCCC(C)C)nc3nc2C1 ZINC000019816472 570221560 /nfs/dbraw/zinc/22/15/60/570221560.db2.gz YPBWWUSVHWCIBV-CQSZACIVSA-N 0 0 396.516 4.184 40 0 GIABRN CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)c3ccco3)CC2)c2ccccc21 ZINC000096242323 570222758 /nfs/dbraw/zinc/22/27/58/570222758.db2.gz XSKQXRLPVQGEBW-GOSISDBHSA-N 0 0 394.515 4.199 40 0 GIABRN CCCc1ccc(C(=O)N2CCc3c(CN4CCCC4)nn(C(C)C)c3C2)cc1 ZINC000096255944 570225298 /nfs/dbraw/zinc/22/52/98/570225298.db2.gz QVLZGTIDGSUXRF-UHFFFAOYSA-N 0 0 394.563 4.211 40 0 GIABRN CC(C)[C@H]1C[C@](CC(=O)NC[C@@H]2CCCO2)(Cc2ccccc2Cl)CCO1 ZINC000009477286 570227546 /nfs/dbraw/zinc/22/75/46/570227546.db2.gz LRGKQJCLUPBOEQ-CZTZKLFOSA-N 0 0 393.955 4.389 40 0 GIABRN CC1(C)C[C@@]2(C[C@H](c3ccccc3Cl)c3ccc(O)cc3O2)NC(=S)N1 ZINC000000885495 570228182 /nfs/dbraw/zinc/22/81/82/570228182.db2.gz UCGKZBPRBWAQLD-QRWLVFNGSA-N 0 0 388.920 4.303 40 0 GIABRN Cc1ccc(-c2nnn(CC(=O)N3c4ccccc4CCc4ccccc43)n2)cc1 ZINC000000932096 570229849 /nfs/dbraw/zinc/22/98/49/570229849.db2.gz RROVCCRSRIQZOB-UHFFFAOYSA-N 0 0 395.466 4.112 40 0 aggregator GIABRN Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)NC2CCCCC2)o1 ZINC000019929292 570230554 /nfs/dbraw/zinc/23/05/54/570230554.db2.gz SUKYIQHANJMGLJ-UHFFFAOYSA-N 0 0 395.912 4.151 40 0 GIABRN CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)o2)c1 ZINC000019929263 570230586 /nfs/dbraw/zinc/23/05/86/570230586.db2.gz SWQHJOFHHQVFKZ-UHFFFAOYSA-N 0 0 396.472 4.043 40 0 GIABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000019932116 570231062 /nfs/dbraw/zinc/23/10/62/570231062.db2.gz SVLGIEFJBJTBAZ-HSZRJFAPSA-N 0 0 388.511 4.342 40 0 GIABRN Cc1nccn1-c1ccc(CNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 ZINC000019933975 570231446 /nfs/dbraw/zinc/23/14/46/570231446.db2.gz FIYKJCONABDLND-QGZVFWFLSA-N 0 0 377.488 4.388 40 0 GIABRN Cc1ccc(Cl)cc1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000019937618 570231777 /nfs/dbraw/zinc/23/17/77/570231777.db2.gz QEFGASCURXOQQZ-UHFFFAOYSA-N 0 0 388.254 4.233 40 0 GIABRN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cnc(-c2ccccc2)[nH]c1=O ZINC000019937252 570232039 /nfs/dbraw/zinc/23/20/39/570232039.db2.gz UPMFMSLPASZQOY-UHFFFAOYSA-N 0 0 397.434 4.268 40 0 GIABRN Cc1nc(C)c(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(=O)[nH]1 ZINC000019937501 570232161 /nfs/dbraw/zinc/23/21/61/570232161.db2.gz XBLMNUVFFQQCJN-UHFFFAOYSA-N 0 0 383.835 4.014 40 0 GIABRN COC(=O)c1c(C)nc2ccn(-c3ccccc3F)c(=O)c2c1-c1ccccc1 ZINC000019962826 570233900 /nfs/dbraw/zinc/23/39/00/570233900.db2.gz QNNZBFLVMOLHCF-UHFFFAOYSA-N 0 0 388.398 4.287 40 0 GIABRN COc1ccc(S[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC ZINC000020037103 570236630 /nfs/dbraw/zinc/23/66/30/570236630.db2.gz LJNGJCXPHLNJNY-JHMRYYBSSA-N 0 0 375.534 4.269 40 0 GIABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1-n1ccnc1C ZINC000020041690 570236931 /nfs/dbraw/zinc/23/69/31/570236931.db2.gz KCCBDJRWUYMYPY-JOCHJYFZSA-N 0 0 377.488 4.271 40 0 GIABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000001049569 570238611 /nfs/dbraw/zinc/23/86/11/570238611.db2.gz MRGKJCXNPAQRCF-SFHVURJKSA-N 0 0 384.495 4.374 40 0 GIABRN CC1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)CC1 ZINC000020108140 570240050 /nfs/dbraw/zinc/24/00/50/570240050.db2.gz YSEHDYQRAIMTDN-UHFFFAOYSA-N 0 0 392.908 4.013 40 0 GIABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)c1 ZINC000020105749 570240077 /nfs/dbraw/zinc/24/00/77/570240077.db2.gz DABDLYCJZJZAKX-GOSISDBHSA-N 0 0 380.488 4.254 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)CSc2ccc(OC)cc2)c(Cl)c1 ZINC000020106880 570240088 /nfs/dbraw/zinc/24/00/88/570240088.db2.gz MCWZTJJIOYMMGW-UHFFFAOYSA-N 0 0 379.865 4.256 40 0 GIABRN CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 ZINC000020111701 570240935 /nfs/dbraw/zinc/24/09/35/570240935.db2.gz OIBVXSMRTDOFLQ-SFHVURJKSA-N 0 0 375.440 4.095 40 0 GIABRN Cc1c2ccccc2oc1C(=O)N(C)[C@@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585274193 570243409 /nfs/dbraw/zinc/24/34/09/570243409.db2.gz UJDKZNKXKLZYOO-HMXCVIKNSA-N 0 0 397.446 4.313 40 0 GIABRN COc1ccc(SCC(=O)NCCSCc2ccccc2C)cc1OC ZINC000020451639 570257307 /nfs/dbraw/zinc/25/73/07/570257307.db2.gz ZDFGGXWEEAEFIT-UHFFFAOYSA-N 0 0 391.558 4.154 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(OC)c1 ZINC000020456508 570259116 /nfs/dbraw/zinc/25/91/16/570259116.db2.gz GYTNGTRHARALNX-QRWLVFNGSA-N 0 0 384.476 4.020 40 0 GIABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000020459066 570259950 /nfs/dbraw/zinc/25/99/50/570259950.db2.gz DHIMXTGQVYKKGM-QHCPKHFHSA-N 0 0 385.467 4.499 40 0 GIABRN C[C@@H]1CCc2c(sc3[nH]c(SCC(=O)c4cccs4)nc(=O)c23)C1 ZINC000001290883 570260418 /nfs/dbraw/zinc/26/04/18/570260418.db2.gz ARFVZNQKVWNXGU-SECBINFHSA-N 0 0 376.528 4.146 40 0 GIABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccco3)cc2c1 ZINC000001359559 570260912 /nfs/dbraw/zinc/26/09/12/570260912.db2.gz JHMQRUNWLKOZLO-UHFFFAOYSA-N 0 0 376.412 4.174 40 0 GIABRN CCN(C(=O)c1cccc(OC)c1OC)c1nnc(-c2ccc(C)cc2)s1 ZINC000001356370 570260922 /nfs/dbraw/zinc/26/09/22/570260922.db2.gz MZERCMPLXIIZPP-UHFFFAOYSA-N 0 0 383.473 4.197 40 0 GIABRN CC(C)Oc1ccc(CNS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000020484877 570262121 /nfs/dbraw/zinc/26/21/21/570262121.db2.gz JHIUYDVIMATQHA-UHFFFAOYSA-N 0 0 388.316 4.400 40 0 GIABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(I)cc2)c1C ZINC000020491393 570263030 /nfs/dbraw/zinc/26/30/30/570263030.db2.gz OCEAVVMDIVBRJM-ZDUSSCGKSA-N 0 0 395.240 4.314 40 0 GIABRN COc1cc2c(cc1OC)[C@@H](OC)N(C)c1c-2ccc2cc3c(cc21)OCO3 ZINC000001558171 570264715 /nfs/dbraw/zinc/26/47/15/570264715.db2.gz SZEOMBMBHCBJJE-JOCHJYFZSA-N 0 0 379.412 4.348 40 0 GIABRN O=C1[C@H](Cc2ccccc2)C(=O)N2c3ccccc3C=C[C@H]2N1c1ccccc1 ZINC000001591655 570265694 /nfs/dbraw/zinc/26/56/94/570265694.db2.gz HELUUHQYJVWQKD-GMAHTHKFSA-N 0 0 380.447 4.278 40 0 GIABRN COc1ccc(C(=O)[C@@H](c2ccc(OC)cc2)[C@H]2c3ccccc3OC2=O)cc1 ZINC000001629280 570266386 /nfs/dbraw/zinc/26/63/86/570266386.db2.gz MZLRPXKKFRFKOM-FCHUYYIVSA-N 0 0 388.419 4.373 40 0 GIABRN COc1cc2cccnc2c(NCCCCCN2C(=O)c3ccccc3C2=O)c1 ZINC000001685901 570267208 /nfs/dbraw/zinc/26/72/08/570267208.db2.gz MHUVEJFWEFINBN-UHFFFAOYSA-N 0 0 389.455 4.122 40 0 GIABRN CC(C)(C)C(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)C2CCC2)c2nccs2)CC1 ZINC000100223396 570269467 /nfs/dbraw/zinc/26/94/67/570269467.db2.gz SUEPABAYXIJJMJ-HLLBOEOZSA-N 0 0 391.581 4.069 40 0 GIABRN CCCc1nnc2sc(-c3cccc(NC(=O)c4ccc(OC)cc4)c3)nn12 ZINC000020609637 570271837 /nfs/dbraw/zinc/27/18/37/570271837.db2.gz NXZXZNFNGRFDTF-UHFFFAOYSA-N 0 0 393.472 4.066 40 0 GIABRN COc1ccc(-n2nc(C)c3c2C[C@H](c2ccc(OC)cc2OC)CC3=O)cc1 ZINC000020633127 570273063 /nfs/dbraw/zinc/27/30/63/570273063.db2.gz GQXDVVCVLHKCPA-HNNXBMFYSA-N 0 0 392.455 4.119 40 0 GIABRN CCOc1ccc2nc(Nc3nc(-c4ccccc4C)cc(=O)[nH]3)nc(C)c2c1 ZINC000020633983 570273505 /nfs/dbraw/zinc/27/35/05/570273505.db2.gz CEGCNHZHIPZCJZ-UHFFFAOYSA-N 0 0 387.443 4.139 40 0 GIABRN COc1ccc([C@H]2CC(=O)c3cn4nc(-c5ccc(C)cc5)nc4nc3C2)cc1 ZINC000020671616 570274472 /nfs/dbraw/zinc/27/44/72/570274472.db2.gz KIQVXFOIBIRJIH-QGZVFWFLSA-N 0 0 384.439 4.021 40 0 GIABRN CCc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3cn[nH]c3)cs2)cc1 ZINC000585294951 570274584 /nfs/dbraw/zinc/27/45/84/570274584.db2.gz LSRDBOOMWCFJTK-GOSISDBHSA-N 0 0 381.505 4.018 40 0 GIABRN Cc1ccc2c(C)nc(Nc3nc(C)c(Cc4ccccc4C)c(=O)[nH]3)nc2c1 ZINC000020798012 570281075 /nfs/dbraw/zinc/28/10/75/570281075.db2.gz KDEFCGLOCXGHRP-UHFFFAOYSA-N 0 0 385.471 4.281 40 0 GIABRN CCOc1ccccc1N[C@@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O ZINC000101277120 570282224 /nfs/dbraw/zinc/28/22/24/570282224.db2.gz BRGYJGIHKRUDTD-CQSZACIVSA-N 0 0 379.243 4.136 40 0 GIABRN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(Br)cc1)CCC3 ZINC000001009931 570295744 /nfs/dbraw/zinc/29/57/44/570295744.db2.gz LZJGKCFPGVNDQW-UHFFFAOYSA-N 0 0 388.290 4.382 40 0 GIABRN COc1ccccc1-c1oc2ccccc2c(=O)c1I ZINC000021997119 570301126 /nfs/dbraw/zinc/30/11/26/570301126.db2.gz RWOFMZXBCXOTER-UHFFFAOYSA-N 0 0 378.165 4.073 40 0 GIABRN O=C(OCc1cccc(F)c1)c1ccc(CS(=O)(=O)Cc2ccccc2)cc1 ZINC000024522721 570302416 /nfs/dbraw/zinc/30/24/16/570302416.db2.gz MVODXDPPJMIPGO-UHFFFAOYSA-N 0 0 398.455 4.298 40 0 GIABRN CCCCCN1CCN([C@H](CC(=O)c2ccccc2)C(=O)c2ccccc2)CC1 ZINC000022030361 570302716 /nfs/dbraw/zinc/30/27/16/570302716.db2.gz BVDCRVMWNQTQFJ-HSZRJFAPSA-N 0 0 392.543 4.319 40 0 GIABRN O=C(Nc1ccc(F)cc1F)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000101930802 570303431 /nfs/dbraw/zinc/30/34/31/570303431.db2.gz SVNGVOJIOYCPAW-GASCZTMLSA-N 0 0 397.425 4.120 40 0 GIABRN Cc1cccc(-n2nc3cc(Br)c(N)c(Br)c3n2)c1C ZINC000575415065 570305124 /nfs/dbraw/zinc/30/51/24/570305124.db2.gz NMCKAYBYOKRBIX-UHFFFAOYSA-N 0 0 396.086 4.145 40 0 GIABRN Cc1cc(C)cc(-n2nc3cc(Br)c(N)c(Br)c3n2)c1 ZINC000575415030 570305855 /nfs/dbraw/zinc/30/58/55/570305855.db2.gz KSPOARZDRGIJJA-UHFFFAOYSA-N 0 0 396.086 4.145 40 0 GIABRN CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(Cl)ccc21 ZINC000022234845 570308729 /nfs/dbraw/zinc/30/87/29/570308729.db2.gz AMTIQHFZMCGHLQ-UHFFFAOYSA-N 0 0 375.255 4.258 40 0 GIABRN CCn1cc(C(=O)Nc2cccc(OC)c2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236820 570309501 /nfs/dbraw/zinc/30/95/01/570309501.db2.gz DAMBGARABCTRQW-UHFFFAOYSA-N 0 0 390.361 4.301 40 0 GIABRN CCN(Cc1nc(-c2cccc(C)c2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000022256876 570311242 /nfs/dbraw/zinc/31/12/42/570311242.db2.gz GMPMKDCRCLGCFX-UHFFFAOYSA-N 0 0 399.516 4.379 40 0 GIABRN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000036092270 570312919 /nfs/dbraw/zinc/31/29/19/570312919.db2.gz SGKXORNSFXXMSD-VUIMYGBESA-N 0 0 397.833 4.370 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2Br)cc1 ZINC000072211647 570313786 /nfs/dbraw/zinc/31/37/86/570313786.db2.gz XQBMOJZQMQZODW-MRXNPFEDSA-N 0 0 395.322 4.068 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2N2CCCCC2)cc1 ZINC000072216140 570317088 /nfs/dbraw/zinc/31/70/88/570317088.db2.gz PWTOKCXLPRACPJ-OAQYLSRUSA-N 0 0 399.560 4.296 40 0 GIABRN CCC[C@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000022509471 570318583 /nfs/dbraw/zinc/31/85/83/570318583.db2.gz LJPCJSWTZJEWNO-ZDUSSCGKSA-N 0 0 380.897 4.059 40 0 GIABRN CC[C@H](Oc1ccccc1Cl)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000022512385 570319011 /nfs/dbraw/zinc/31/90/11/570319011.db2.gz XVHDZRXZEWQSCI-SFHVURJKSA-N 0 0 393.314 4.500 40 0 GIABRN CCOc1ccc(CNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1OCC ZINC000022515296 570319291 /nfs/dbraw/zinc/31/92/91/570319291.db2.gz RTQKDXTVGRTAAI-AWEZNQCLSA-N 0 0 377.868 4.221 40 0 GIABRN CCOc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 ZINC000022524288 570320161 /nfs/dbraw/zinc/32/01/61/570320161.db2.gz SGUJDXDPQISTQX-JOCHJYFZSA-N 0 0 381.497 4.462 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2C)cc1Br ZINC000044900237 570322415 /nfs/dbraw/zinc/32/24/15/570322415.db2.gz PYMRDIXVLVHLOO-ZDUSSCGKSA-N 0 0 398.322 4.114 40 0 GIABRN Cc1cc(C)cc(N(CCCC(=O)Nc2c(C)cccc2C)S(C)(=O)=O)c1 ZINC000113967246 570338049 /nfs/dbraw/zinc/33/80/49/570338049.db2.gz COGXKQIIBBRURI-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN Cc1cccc(CSCCNC(=O)COc2ccc(Br)cc2)c1 ZINC000218813875 570341421 /nfs/dbraw/zinc/34/14/21/570341421.db2.gz CSFZKADCQCAZAE-UHFFFAOYSA-N 0 0 394.334 4.186 40 0 GIABRN CC1(C)C[C@@H](NC(=O)COc2ccc(Br)cc2)c2ccccc2O1 ZINC000218817664 570341460 /nfs/dbraw/zinc/34/14/60/570341460.db2.gz LPNPUBOAFIIZEM-MRXNPFEDSA-N 0 0 390.277 4.247 40 0 GIABRN Cc1ccc(CCCNC(=O)COc2ccc(Br)c(C)c2)cc1 ZINC000218826091 570341716 /nfs/dbraw/zinc/34/17/16/570341716.db2.gz GPHYWFFBUIKNGE-UHFFFAOYSA-N 0 0 376.294 4.194 40 0 GIABRN Cc1ccccc1OC[C@@H](C)NC(=O)COc1ccc(Br)c(C)c1 ZINC000218828258 570341770 /nfs/dbraw/zinc/34/17/70/570341770.db2.gz BHUNDMYDXDBZRI-OAHLLOKOSA-N 0 0 392.293 4.028 40 0 GIABRN CCCOc1ccc(C(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1 ZINC000408575208 570342274 /nfs/dbraw/zinc/34/22/74/570342274.db2.gz STDMZMBYCMWLFC-UHFFFAOYSA-N 0 0 393.472 4.202 40 0 GIABRN CCOc1ccc(CNC(=O)COc2ccc(Cl)cc2Br)cc1 ZINC000218856828 570342387 /nfs/dbraw/zinc/34/23/87/570342387.db2.gz RGJPPKCXPUBQSX-UHFFFAOYSA-N 0 0 398.684 4.196 40 0 GIABRN Cc1cc(C)c(C)c(OCC(=O)NCc2nc(-c3ccccc3Cl)no2)c1 ZINC000218970117 570344460 /nfs/dbraw/zinc/34/44/60/570344460.db2.gz FITYBPUVACWCEI-UHFFFAOYSA-N 0 0 385.851 4.010 40 0 GIABRN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1cccc(F)c1 ZINC000006045182 570346098 /nfs/dbraw/zinc/34/60/98/570346098.db2.gz WODNCQAAXWCRRV-UHFFFAOYSA-N 0 0 377.872 4.206 40 0 GIABRN COc1ccc(CCCNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1OC ZINC000219028682 570346247 /nfs/dbraw/zinc/34/62/47/570346247.db2.gz ZTNDAKKCBAAQPV-KRWDZBQOSA-N 0 0 393.483 4.373 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cc(C)ccc3C)n2)c1 ZINC000219076764 570347546 /nfs/dbraw/zinc/34/75/46/570347546.db2.gz SNOZRLISFYXSAS-QGZVFWFLSA-N 0 0 379.460 4.088 40 0 GIABRN CCOc1ccc(CCC(=O)NCCCN(C)c2ccccc2)cc1OCC ZINC000219281300 570350741 /nfs/dbraw/zinc/35/07/41/570350741.db2.gz ADEAGYQUUUKERH-UHFFFAOYSA-N 0 0 384.520 4.059 40 0 GIABRN CCc1ccccc1O[C@H](C)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000219296597 570351940 /nfs/dbraw/zinc/35/19/40/570351940.db2.gz NQDZUEXFSVMTBD-CYBMUJFWSA-N 0 0 385.851 4.036 40 0 GIABRN COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1C)CC(C)(C)O2 ZINC000219310388 570354069 /nfs/dbraw/zinc/35/40/69/570354069.db2.gz GQDPBTPAQZLZBN-APWZRJJASA-N 0 0 383.488 4.498 40 0 GIABRN CC[C@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000219372325 570357187 /nfs/dbraw/zinc/35/71/87/570357187.db2.gz MFPGDRLHADPFAG-SFHVURJKSA-N 0 0 379.460 4.169 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(C)cc3C)n2)c1 ZINC000219537835 570365840 /nfs/dbraw/zinc/36/58/40/570365840.db2.gz FFWGATKTKSDOFL-QGZVFWFLSA-N 0 0 379.460 4.088 40 0 GIABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cccc(C)c1 ZINC000408619753 570370191 /nfs/dbraw/zinc/37/01/91/570370191.db2.gz HFFHNQNTUCGTLD-UHFFFAOYSA-N 0 0 393.306 4.201 40 0 GIABRN CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219599376 570370190 /nfs/dbraw/zinc/37/01/90/570370190.db2.gz YFBZXKUUNCRLMU-KRWDZBQOSA-N 0 0 385.851 4.172 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 ZINC000219604574 570370554 /nfs/dbraw/zinc/37/05/54/570370554.db2.gz JXZGDJSMRZCGEU-IFXJQAMLSA-N 0 0 377.868 4.090 40 0 GIABRN COc1cccc(Cn2c3cc(C)sc3c3cnn(CC(C)C)c(=O)c32)c1 ZINC000057720365 570371283 /nfs/dbraw/zinc/37/12/83/570371283.db2.gz ODPQMDVTBLVMJG-UHFFFAOYSA-N 0 0 381.501 4.434 40 0 GIABRN Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000219687566 570373160 /nfs/dbraw/zinc/37/31/60/570373160.db2.gz ZRPDHZQKXWIZCG-CABCVRRESA-N 0 0 392.293 4.109 40 0 GIABRN COc1ccc(OC)c(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000408627507 570380037 /nfs/dbraw/zinc/38/00/37/570380037.db2.gz NFCWRJINLZKVKA-UHFFFAOYSA-N 0 0 383.469 4.099 40 0 GIABRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(Cl)cc2)c1 ZINC000408627723 570380161 /nfs/dbraw/zinc/38/01/61/570380161.db2.gz NGDUBHVEJZBJIL-UHFFFAOYSA-N 0 0 396.299 4.469 40 0 GIABRN C=CCOc1ccc(/C=C2/SC(=O)N(CCC)C2=O)cc1Br ZINC000006656457 570380887 /nfs/dbraw/zinc/38/08/87/570380887.db2.gz DLAFOTGAXYJLOP-GXDHUFHOSA-N 0 0 382.279 4.460 40 0 GIABRN CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(C(C)C)cc2)CC1 ZINC000408629269 570382135 /nfs/dbraw/zinc/38/21/35/570382135.db2.gz TYPJVNZUCULTKT-UHFFFAOYSA-N 0 0 379.504 4.121 40 0 GIABRN CCc1ccc(N([C@H](C)C(=O)Nc2cccc3ccccc32)S(C)(=O)=O)cc1 ZINC000220262922 570383961 /nfs/dbraw/zinc/38/39/61/570383961.db2.gz ASNIANUBHAQIIG-MRXNPFEDSA-N 0 0 396.512 4.195 40 0 GIABRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2cn(CC)c3ccccc23)C1=O ZINC000006937264 570389775 /nfs/dbraw/zinc/38/97/75/570389775.db2.gz LUQMHOJHLDAMCE-OMJMQIJPSA-N 0 0 386.473 4.039 40 0 GIABRN O=C(Nc1ccccc1)N(Cc1ccc(F)cc1)c1nnc2n1CCCCC2 ZINC000016769664 570403568 /nfs/dbraw/zinc/40/35/68/570403568.db2.gz ACSYRYDFEATZJH-UHFFFAOYSA-N 0 0 379.439 4.382 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1C ZINC000222411707 570409902 /nfs/dbraw/zinc/40/99/02/570409902.db2.gz ZWYVHNFYHFTARJ-QFIPXVFZSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 ZINC000222413245 570410330 /nfs/dbraw/zinc/41/03/30/570410330.db2.gz ZNDRYUGUYADUIX-NRFANRHFSA-N 0 0 398.572 4.419 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCCc2cccc3ccccc32)cc1C ZINC000222538820 570413948 /nfs/dbraw/zinc/41/39/48/570413948.db2.gz KFWXKNCZKHWOII-UHFFFAOYSA-N 0 0 383.513 4.376 40 0 GIABRN Cc1cccc(NC(=O)CCNC(=O)c2ccc3c(c2)nc(Cl)n3C(C)C)c1 ZINC000222551142 570414198 /nfs/dbraw/zinc/41/41/98/570414198.db2.gz QLQCYZCSJFOXLH-UHFFFAOYSA-N 0 0 398.894 4.338 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccccc1 ZINC000222568324 570414896 /nfs/dbraw/zinc/41/48/96/570414896.db2.gz BRPIHHOYRJMWBM-REWPJTCUSA-N 0 0 394.559 4.384 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222615976 570416965 /nfs/dbraw/zinc/41/69/65/570416965.db2.gz UIRGTFDBDOPFGH-KRWDZBQOSA-N 0 0 398.522 4.219 40 0 GIABRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)S1 ZINC000222626079 570417629 /nfs/dbraw/zinc/41/76/29/570417629.db2.gz LLKDZNAIGMDENH-XMCHAPAWSA-N 0 0 376.485 4.167 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3C[C@@H]3CCCO3)N21 ZINC000222686193 570420771 /nfs/dbraw/zinc/42/07/71/570420771.db2.gz ZTTHKDXAEIIQQI-GIYDNNGJSA-N 0 0 382.533 4.042 40 0 GIABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000222711339 570421852 /nfs/dbraw/zinc/42/18/52/570421852.db2.gz XBCVXRYESYJIQR-DYVFJYSZSA-N 0 0 375.852 4.146 40 0 GIABRN Cc1ccccc1CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC(C)(C)C ZINC000222711739 570421860 /nfs/dbraw/zinc/42/18/60/570421860.db2.gz JLAXJTFAHSWMTK-LJQANCHMSA-N 0 0 380.532 4.178 40 0 GIABRN CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 ZINC000222728438 570422777 /nfs/dbraw/zinc/42/27/77/570422777.db2.gz MHKBTBMRZFYGPB-QZTJIDSGSA-N 0 0 391.525 4.084 40 0 GIABRN COc1ccc(OC)c([C@@H](C)NC(=O)CCCOc2ccc(Cl)cc2)c1 ZINC000222732741 570422905 /nfs/dbraw/zinc/42/29/05/570422905.db2.gz OBQFQXJBNWWEJU-CQSZACIVSA-N 0 0 377.868 4.394 40 0 GIABRN CC(C)(C)OC(=O)N1CCC(Nc2ncnc3sc4c(c32)CCCC4)CC1 ZINC000141881893 570422962 /nfs/dbraw/zinc/42/29/62/570422962.db2.gz LRTZUZGZPXJDDQ-UHFFFAOYSA-N 0 0 388.537 4.382 40 0 GIABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@H](c2ccccn2)NC(=S)N1C ZINC000222764739 570424594 /nfs/dbraw/zinc/42/45/94/570424594.db2.gz RIHUVHOQGUBADQ-SFTDATJTSA-N 0 0 376.529 4.400 40 0 GIABRN Cc1ccc(CN(C(=O)COc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222781007 570425522 /nfs/dbraw/zinc/42/55/22/570425522.db2.gz CDVPHOPHOJKPOX-LJQANCHMSA-N 0 0 396.531 4.014 40 0 GIABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccnc1 ZINC000222819317 570427648 /nfs/dbraw/zinc/42/76/48/570427648.db2.gz BXSIHJWNWWNDQR-SFTDATJTSA-N 0 0 391.544 4.265 40 0 GIABRN Cc1cc(F)ccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000007472780 570427703 /nfs/dbraw/zinc/42/77/03/570427703.db2.gz MNNYRKBALSDHHJ-GFCCVEGCSA-N 0 0 380.341 4.145 40 0 GIABRN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCCc1ccccc1 ZINC000222835269 570428167 /nfs/dbraw/zinc/42/81/67/570428167.db2.gz ANAIMZYBMGNGBV-KRWDZBQOSA-N 0 0 386.923 4.072 40 0 GIABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000222867067 570429646 /nfs/dbraw/zinc/42/96/46/570429646.db2.gz ZMVWBNORZDWISJ-QGZVFWFLSA-N 0 0 384.495 4.090 40 0 GIABRN CCc1ccc(O[C@H](CC)C(=O)NCCCc2ccc(OC)c(OC)c2)cc1 ZINC000222897587 570430450 /nfs/dbraw/zinc/43/04/50/570430450.db2.gz VWUTZPYNVNFFCU-HXUWFJFHSA-N 0 0 385.504 4.173 40 0 GIABRN CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1ccc(Br)cc1 ZINC000005261060 570432636 /nfs/dbraw/zinc/43/26/36/570432636.db2.gz LDROQJNBQHGHJZ-YVNCXZRQSA-N 0 0 383.289 4.086 40 0 GIABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 ZINC000222957116 570433239 /nfs/dbraw/zinc/43/32/39/570433239.db2.gz WRAZWVHLHBONDO-RTWAWAEBSA-N 0 0 391.544 4.099 40 0 GIABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000223026102 570438241 /nfs/dbraw/zinc/43/82/41/570438241.db2.gz ZNVSHRBJUYNNOQ-WOJBJXKFSA-N 0 0 397.475 4.100 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 ZINC000223029685 570438323 /nfs/dbraw/zinc/43/83/23/570438323.db2.gz FLRDSSHGEDPCBX-OAQYLSRUSA-N 0 0 394.559 4.488 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1nc(-c2ccccc2)no1 ZINC000223033694 570438585 /nfs/dbraw/zinc/43/85/85/570438585.db2.gz OMTQGRSOXWFAOQ-QGZVFWFLSA-N 0 0 385.851 4.172 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1 ZINC000223041206 570439162 /nfs/dbraw/zinc/43/91/62/570439162.db2.gz WFDXQYFVBJEPNU-HXUWFJFHSA-N 0 0 396.531 4.016 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1F ZINC000223044169 570439458 /nfs/dbraw/zinc/43/94/58/570439458.db2.gz JIAMBCLXMKYFNO-GOSISDBHSA-N 0 0 384.495 4.010 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 ZINC000223048107 570439783 /nfs/dbraw/zinc/43/97/83/570439783.db2.gz CXGZMPSSUXHOGP-HXUWFJFHSA-N 0 0 380.532 4.261 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C ZINC000223057298 570440627 /nfs/dbraw/zinc/44/06/27/570440627.db2.gz YDCXSIROKMRLHF-OAQYLSRUSA-N 0 0 396.531 4.051 40 0 GIABRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)C(C)C ZINC000223057498 570440654 /nfs/dbraw/zinc/44/06/54/570440654.db2.gz AOGVVQNAKXVBKO-JOCHJYFZSA-N 0 0 380.532 4.199 40 0 GIABRN Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2ccccc2c1 ZINC000005530469 570444185 /nfs/dbraw/zinc/44/41/85/570444185.db2.gz AQAIYHYUZZKDID-UHFFFAOYSA-N 0 0 388.496 4.290 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1cc(C)ccc1C ZINC000223128913 570445525 /nfs/dbraw/zinc/44/55/25/570445525.db2.gz IBHSVGIJASRSMF-MOPGFXCFSA-N 0 0 398.522 4.317 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 ZINC000223137447 570445870 /nfs/dbraw/zinc/44/58/70/570445870.db2.gz LOIJKXKOBDLHTJ-FQEVSTJZSA-N 0 0 386.923 4.053 40 0 GIABRN COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)c1 ZINC000027974533 570446432 /nfs/dbraw/zinc/44/64/32/570446432.db2.gz DMBSSBBBDXXFPG-UHFFFAOYSA-N 0 0 395.908 4.071 40 0 GIABRN O=C(Cc1ccccc1)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1 ZINC000039772278 570446460 /nfs/dbraw/zinc/44/64/60/570446460.db2.gz DSBDKZOINLNVLX-UHFFFAOYSA-N 0 0 398.422 4.170 40 0 GIABRN COc1cc(CNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)ccc1OC(C)C ZINC000223192648 570448982 /nfs/dbraw/zinc/44/89/82/570448982.db2.gz NFUKXSXULYBOBB-QGZVFWFLSA-N 0 0 397.515 4.445 40 0 GIABRN CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1OC)c1ccc(OC)c(C)c1 ZINC000223193387 570449212 /nfs/dbraw/zinc/44/92/12/570449212.db2.gz FHNGRXSIRAWXSU-LVMGUKCRSA-N 0 0 399.487 4.310 40 0 GIABRN CCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCC(C)C ZINC000223196278 570449360 /nfs/dbraw/zinc/44/93/60/570449360.db2.gz BHMYZNLEURIWJJ-JOCHJYFZSA-N 0 0 398.522 4.338 40 0 GIABRN COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 ZINC000223199387 570449472 /nfs/dbraw/zinc/44/94/72/570449472.db2.gz JQSOSAYKQJKEDC-KGLIPLIRSA-N 0 0 377.868 4.310 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F ZINC000223269680 570454763 /nfs/dbraw/zinc/45/47/63/570454763.db2.gz DFIKIBIYCHXSLZ-NRFANRHFSA-N 0 0 398.522 4.399 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C ZINC000223283248 570455806 /nfs/dbraw/zinc/45/58/06/570455806.db2.gz FSBIAXVVTLRFTH-SFHVURJKSA-N 0 0 384.495 4.010 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 ZINC000223283393 570455840 /nfs/dbraw/zinc/45/58/40/570455840.db2.gz OCRSGOBABVMFKW-SFHVURJKSA-N 0 0 384.495 4.010 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 ZINC000223284588 570456284 /nfs/dbraw/zinc/45/62/84/570456284.db2.gz XYOQFAJGZMBUFY-SFHVURJKSA-N 0 0 393.314 4.089 40 0 GIABRN CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1NC(C)=O ZINC000223318787 570458086 /nfs/dbraw/zinc/45/80/86/570458086.db2.gz BPHNPQXLBTURBB-CQSZACIVSA-N 0 0 392.546 4.023 40 0 GIABRN C[NH+](C)CCNc1nc(Nc2ccc(F)c(F)c2F)cc(-c2ccccc2)n1 ZINC000244096192 570458455 /nfs/dbraw/zinc/45/84/55/570458455.db2.gz UGODJXWELSYNGY-UHFFFAOYSA-N 0 0 387.409 4.278 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 ZINC000223328925 570458701 /nfs/dbraw/zinc/45/87/01/570458701.db2.gz FVYICWBQYYZLEE-GOSISDBHSA-N 0 0 393.314 4.089 40 0 GIABRN CCOC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4cc(C)ccc4o3)c2)C1 ZINC000045887498 570458755 /nfs/dbraw/zinc/45/87/55/570458755.db2.gz QSLKMNRWGIISGD-ZDUSSCGKSA-N 0 0 398.846 4.373 40 0 GIABRN COc1ccc(/C=C/C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1OC ZINC000223379915 570463128 /nfs/dbraw/zinc/46/31/28/570463128.db2.gz JQJRGHSLCHNCHP-NTUHNPAUSA-N 0 0 383.488 4.210 40 0 GIABRN CCCCCNc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000223412839 570464798 /nfs/dbraw/zinc/46/47/98/570464798.db2.gz ANHCPDGCBKKHLN-UHFFFAOYSA-N 0 0 390.505 4.185 40 0 GIABRN COc1cc(C)c(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c1 ZINC000029046345 570467708 /nfs/dbraw/zinc/46/77/08/570467708.db2.gz MYZIOPSIBREVEA-UHFFFAOYSA-N 0 0 375.368 4.011 40 0 GIABRN CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1 ZINC000223531081 570469653 /nfs/dbraw/zinc/46/96/53/570469653.db2.gz ORJKKMVFMLMTJC-PMACEKPBSA-N 0 0 391.544 4.206 40 0 GIABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCOc1cccc2ccccc21 ZINC000223539542 570469874 /nfs/dbraw/zinc/46/98/74/570469874.db2.gz LLNGQRPBOCAQDF-OAQYLSRUSA-N 0 0 379.456 4.201 40 0 GIABRN CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CC ZINC000223548060 570470781 /nfs/dbraw/zinc/47/07/81/570470781.db2.gz UPQKGWJTHOUKQQ-HSZRJFAPSA-N 0 0 396.531 4.482 40 0 GIABRN Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 ZINC000006233145 570472917 /nfs/dbraw/zinc/47/29/17/570472917.db2.gz CNTURGINTDSMRU-KRWDZBQOSA-N 0 0 388.533 4.220 40 0 GIABRN CCOc1ccc(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)cc1 ZINC000223716092 570481107 /nfs/dbraw/zinc/48/11/07/570481107.db2.gz XWZIMCMGUSADKM-UHFFFAOYSA-N 0 0 383.469 4.356 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)Cc2cccc3ccccc32)cc1Cl ZINC000223733268 570481734 /nfs/dbraw/zinc/48/17/34/570481734.db2.gz MMWXCZOMXLMHKB-UHFFFAOYSA-N 0 0 375.877 4.323 40 0 GIABRN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccccc1N1CCCC1 ZINC000006615684 570484754 /nfs/dbraw/zinc/48/47/54/570484754.db2.gz MZVCSPCAIBNNCN-FMIVXFBMSA-N 0 0 385.920 4.467 40 0 GIABRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccs3)SC2=S)c(Cl)c1 ZINC000008369839 570485438 /nfs/dbraw/zinc/48/54/38/570485438.db2.gz ITJZEEPTJJPKBQ-MDWZMJQESA-N 0 0 394.930 4.256 40 0 GIABRN Cc1ccc(C(=O)OCC(=O)Nc2ccc(Br)c(C)c2C)cc1 ZINC000008372220 570491985 /nfs/dbraw/zinc/49/19/85/570491985.db2.gz FAVGCALSXLBNDM-UHFFFAOYSA-N 0 0 376.250 4.170 40 0 GIABRN COc1ccc([C@@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OC ZINC000030755212 570495294 /nfs/dbraw/zinc/49/52/94/570495294.db2.gz LBFACEONHWYYJR-CQSZACIVSA-N 0 0 377.868 4.230 40 0 GIABRN COc1ccc(CN(C)C(=O)/C(=C/c2ccco2)c2ccccc2)cc1OC ZINC000030755244 570495304 /nfs/dbraw/zinc/49/53/04/570495304.db2.gz WRDHUQOBJGYLOJ-HMMYKYKNSA-N 0 0 377.440 4.496 40 0 GIABRN Cc1cc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc(C)c1Br ZINC000030853550 570498533 /nfs/dbraw/zinc/49/85/33/570498533.db2.gz MOZINMHBUGJBCM-ZDUSSCGKSA-N 0 0 380.257 4.461 40 0 GIABRN NC(=O)c1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000030854110 570498932 /nfs/dbraw/zinc/49/89/32/570498932.db2.gz WVQRVPAWBXPMOR-UHFFFAOYSA-N 0 0 392.480 4.209 40 0 GIABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000007106142 570500351 /nfs/dbraw/zinc/50/03/51/570500351.db2.gz WGYWFWPZTBFMMD-KRWDZBQOSA-N 0 0 384.495 4.239 40 0 GIABRN COc1cccc([C@H]2c3cc4c(cc3O[C@H](N3CCCC3)[C@H]2C)OCO4)c1OC ZINC000031860789 570506899 /nfs/dbraw/zinc/50/68/99/570506899.db2.gz GWPIAAOPZQZVTR-BKAZIGDYSA-N 0 0 397.471 4.015 40 0 GIABRN CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccc(O)cc1 ZINC000000886691 570510490 /nfs/dbraw/zinc/51/04/90/570510490.db2.gz HMTMEBHBUFDIRQ-UHFFFAOYSA-N 0 0 382.489 4.018 40 0 GIABRN CN(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(Cl)cc1Cl ZINC000007721134 570513597 /nfs/dbraw/zinc/51/35/97/570513597.db2.gz MMPFRSXIIZTFAQ-UHFFFAOYSA-N 0 0 392.242 4.081 40 0 GIABRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCSC(C)(C)C ZINC000224706109 570526092 /nfs/dbraw/zinc/52/60/92/570526092.db2.gz NMTQDHVJDZNJOE-JXAWBTAJSA-N 0 0 386.517 4.007 40 0 GIABRN CCCCOCc1cc(C(=O)Nc2ccccc2C(=O)OC)ccc1OCC ZINC000224728970 570527326 /nfs/dbraw/zinc/52/73/26/570527326.db2.gz VPSBTIKRNUVXPD-UHFFFAOYSA-N 0 0 385.460 4.441 40 0 GIABRN CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1cccc(C)c1 ZINC000000917257 570533543 /nfs/dbraw/zinc/53/35/43/570533543.db2.gz OPEHMHIXPXJFDA-UHFFFAOYSA-N 0 0 394.500 4.207 40 0 GIABRN Cn1c(SCC(=O)c2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1O ZINC000001068846 570536941 /nfs/dbraw/zinc/53/69/41/570536941.db2.gz ZVUBQXYHXFLRFE-UHFFFAOYSA-N 0 0 381.501 4.460 40 0 GIABRN COc1cc2cc(C)c(SCC(=O)N(C(C)C)C(C)C)nc2cc1OC ZINC000000928274 570538912 /nfs/dbraw/zinc/53/89/12/570538912.db2.gz FFIYLXINPJRSHD-UHFFFAOYSA-N 0 0 376.522 4.298 40 0 GIABRN CCOc1ccc(-c2nnn(CC(=O)Nc3ccccc3-c3ccccc3)n2)cc1 ZINC000000932104 570541219 /nfs/dbraw/zinc/54/12/19/570541219.db2.gz XVBWWSCDKIKKSV-UHFFFAOYSA-N 0 0 399.454 4.045 40 0 GIABRN CCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1 ZINC000008476837 570548769 /nfs/dbraw/zinc/54/87/69/570548769.db2.gz HINUUZVRROTQTF-UHFFFAOYSA-N 0 0 375.259 4.381 40 0 GIABRN COc1ccccc1CNC(=S)Nc1nc(C)cc(Nc2ccc(F)cc2)n1 ZINC000225204753 570556211 /nfs/dbraw/zinc/55/62/11/570556211.db2.gz QNYXUDBHWFDYRL-UHFFFAOYSA-N 0 0 397.479 4.163 40 0 GIABRN Cc1cc(C)n(Cc2ccc(C(=O)NCCOc3ccccc3Cl)cc2)n1 ZINC000225294128 570562496 /nfs/dbraw/zinc/56/24/96/570562496.db2.gz PPQCUVZEKHTCHR-UHFFFAOYSA-N 0 0 383.879 4.010 40 0 GIABRN Cc1ccc(CSCCNC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000225293884 570562542 /nfs/dbraw/zinc/56/25/42/570562542.db2.gz ODLIISRUYAEIAF-UHFFFAOYSA-N 0 0 399.585 4.342 40 0 GIABRN COC(=O)c1ccc(C)c(NC(=S)NCCSCc2ccc(C)cc2)c1 ZINC000225293027 570562592 /nfs/dbraw/zinc/56/25/92/570562592.db2.gz WIGSWGVFCAFQRP-UHFFFAOYSA-N 0 0 388.558 4.310 40 0 GIABRN COC(=O)c1ccccc1NC(=O)CSc1nc2cc(C)ccc2cc1C ZINC000001221549 570564265 /nfs/dbraw/zinc/56/42/65/570564265.db2.gz FXHLGAVNHSTDHW-UHFFFAOYSA-N 0 0 380.469 4.369 40 0 GIABRN Cc1[nH]c2ccc(-c3nnc(SCC(=O)N4CCC[C@H](C)C4)o3)cc2c1C ZINC000001223292 570564960 /nfs/dbraw/zinc/56/49/60/570564960.db2.gz KMHIPRQCAZUXAA-LBPRGKRZSA-N 0 0 384.505 4.185 40 0 GIABRN COc1cccc(CN(C(=O)c2cc3ccccc3oc2=O)C2CCCC2)c1 ZINC000001224449 570565475 /nfs/dbraw/zinc/56/54/75/570565475.db2.gz NUPXXSGDROKDSH-UHFFFAOYSA-N 0 0 377.440 4.387 40 0 GIABRN Cc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc4c(c3)CCC4)CC2)cc1 ZINC000001336994 570570095 /nfs/dbraw/zinc/57/00/95/570570095.db2.gz QQBCOBILSOGLRI-UHFFFAOYSA-N 0 0 376.500 4.017 40 0 GIABRN CCc1nn2cc(C(=O)c3cc(C)ccc3O)cnc2c1-c1ccc(F)cc1 ZINC000001350472 570572986 /nfs/dbraw/zinc/57/29/86/570572986.db2.gz LYYLFDLQHLZBGK-UHFFFAOYSA-N 0 0 375.403 4.343 40 0 GIABRN COc1cccc(NC(=S)N2CCC(n3cnc4cc(F)ccc43)CC2)c1 ZINC000001371033 570574857 /nfs/dbraw/zinc/57/48/57/570574857.db2.gz XUVPNJXLZDDRSR-UHFFFAOYSA-N 0 0 384.480 4.218 40 0 GIABRN CC(C)n1c2ccccc2nc1N1CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000001370991 570574932 /nfs/dbraw/zinc/57/49/32/570574932.db2.gz RQJCYRSSYQWYJY-UHFFFAOYSA-N 0 0 399.445 4.250 40 0 GIABRN CCN(CC)C(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(C)cc1 ZINC000001361156 570576003 /nfs/dbraw/zinc/57/60/03/570576003.db2.gz LUABGSPJYPZQLF-UHFFFAOYSA-N 0 0 384.505 4.105 40 0 GIABRN COc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4ccccc4C)C3)n2)c1 ZINC000001360485 570576158 /nfs/dbraw/zinc/57/61/58/570576158.db2.gz SRDSCWKFCVUJSU-QGZVFWFLSA-N 0 0 377.444 4.073 40 0 GIABRN Cc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(F)cc4F)C3)n2)cc1 ZINC000001363170 570577254 /nfs/dbraw/zinc/57/72/54/570577254.db2.gz VZJMGASZSZFIGN-HNNXBMFYSA-N 0 0 383.398 4.343 40 0 GIABRN COc1ccc2cc(CN(Cc3ccco3)C(=O)c3cccs3)c(=O)[nH]c2c1 ZINC000001366659 570579651 /nfs/dbraw/zinc/57/96/51/570579651.db2.gz KFXHMJPHJJMEJZ-UHFFFAOYSA-N 0 0 394.452 4.034 40 0 GIABRN CCN(CC)C(=O)N(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000001367115 570579719 /nfs/dbraw/zinc/57/97/19/570579719.db2.gz CJLNRFRLWAJJAE-UHFFFAOYSA-N 0 0 391.515 4.343 40 0 GIABRN CCOc1ccc(C(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)cc1 ZINC000001380399 570583556 /nfs/dbraw/zinc/58/35/56/570583556.db2.gz AZJKXTKKKHBFDR-UHFFFAOYSA-N 0 0 381.451 4.360 40 0 GIABRN O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)N1CCCCC1 ZINC000001381372 570584033 /nfs/dbraw/zinc/58/40/33/570584033.db2.gz OPSJANQFHGRLGK-UHFFFAOYSA-N 0 0 383.492 4.328 40 0 GIABRN O=c1[nH]c(N2CCc3ccccc3C2)nc2nccc(C=Cc3cccs3)c12 ZINC000040388534 570599854 /nfs/dbraw/zinc/59/98/54/570599854.db2.gz PUCGVPOHHRSIBK-BQYQJAHWSA-N 0 0 386.480 4.113 40 0 GIABRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccccc3)C2=O)c(C)c1 ZINC000101027544 570603420 /nfs/dbraw/zinc/60/34/20/570603420.db2.gz XHLBOAOLNLRFDC-ZLNRFVROSA-N 0 0 398.462 4.355 40 0 GIABRN C[C@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000004125032 570615705 /nfs/dbraw/zinc/61/57/05/570615705.db2.gz UEMLGOPOELWBOG-YWPYICTPSA-N 0 0 382.386 4.151 40 0 GIABRN CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCC(=O)Nc3cccc(Cl)c3)nnc12 ZINC000004130177 570616921 /nfs/dbraw/zinc/61/69/21/570616921.db2.gz ZWHWHTNSCJCFPW-YJYMSZOUSA-N 0 0 388.924 4.431 40 0 GIABRN CCNC(=S)N(Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000004134137 570618621 /nfs/dbraw/zinc/61/86/21/570618621.db2.gz JGUMGPHGLJNBRO-UHFFFAOYSA-N 0 0 385.558 4.103 40 0 GIABRN CCCCn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nnc1-c1ccncc1 ZINC000004161378 570620219 /nfs/dbraw/zinc/62/02/19/570620219.db2.gz SLEKEFMOSPJOSV-HOTGVXAUSA-N 0 0 387.553 4.022 40 0 GIABRN Cc1cccc(C(C)C)c1NC(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000008481159 570627528 /nfs/dbraw/zinc/62/75/28/570627528.db2.gz TVJFTHRMLMHWEN-UHFFFAOYSA-N 0 0 388.533 4.303 40 0 GIABRN CCc1nc2sc3c(c2c(NCCNC(=O)c2ccccc2F)n1)CCCC3 ZINC000004848593 570634862 /nfs/dbraw/zinc/63/48/62/570634862.db2.gz JLTMSJVVEROVGD-UHFFFAOYSA-N 0 0 398.507 4.114 40 0 GIABRN O=C(NCCc1ccccc1)[C@@H](OC(=O)c1ccco1)c1ccc(Cl)cc1 ZINC000004900789 570637458 /nfs/dbraw/zinc/63/74/58/570637458.db2.gz RKQTXAMJFNZKNU-IBGZPJMESA-N 0 0 383.831 4.190 40 0 GIABRN Cc1ccc(C(=O)N/C(=C/c2ccccc2Cl)C(=O)NCc2ccco2)cc1 ZINC000004852280 570637891 /nfs/dbraw/zinc/63/78/91/570637891.db2.gz RWQCYQWEAGOAJI-DEDYPNTBSA-N 0 0 394.858 4.329 40 0 GIABRN CC[C@@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(C)cc1 ZINC000004852080 570637913 /nfs/dbraw/zinc/63/79/13/570637913.db2.gz MCPGBAAPSZPZFI-CQSZACIVSA-N 0 0 384.505 4.151 40 0 GIABRN COc1ccc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2)cc1 ZINC000032340889 570643014 /nfs/dbraw/zinc/64/30/14/570643014.db2.gz IGBKECKNXQLNJJ-CQSZACIVSA-N 0 0 379.909 4.166 40 0 GIABRN O=C(Nc1cccc(F)c1)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004888475 570643156 /nfs/dbraw/zinc/64/31/56/570643156.db2.gz UUBYQLRIEOPHBV-UHFFFAOYSA-N 0 0 399.510 4.155 40 0 GIABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NCc1cccc(C)c1OC ZINC000012361048 570645853 /nfs/dbraw/zinc/64/58/53/570645853.db2.gz KZBGNYKNRUSGNU-UHFFFAOYSA-N 0 0 395.488 4.099 40 0 GIABRN COc1ccc(CNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(OC)c1OC ZINC000045202883 570646765 /nfs/dbraw/zinc/64/67/65/570646765.db2.gz AAKZPTAXKRMPOG-LBPRGKRZSA-N 0 0 395.908 4.163 40 0 GIABRN COc1ccccc1N1CCN(C(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)CC1 ZINC000045585057 570647471 /nfs/dbraw/zinc/64/74/71/570647471.db2.gz QQKNZHJFJUYYAO-LJQANCHMSA-N 0 0 396.531 4.243 40 0 GIABRN CCCNC(=S)N(Cc1cc2cc(C)ccc2n2nnnc12)C1CCCCC1 ZINC000004985253 570650044 /nfs/dbraw/zinc/65/00/44/570650044.db2.gz YFLJNOYJQHQFLK-UHFFFAOYSA-N 0 0 396.564 4.005 40 0 GIABRN O=C(Nc1ccccc1C(=O)N1CCCC1)c1ncoc1-c1cccc(Cl)c1 ZINC000005002063 570652153 /nfs/dbraw/zinc/65/21/53/570652153.db2.gz RYPBPWWDCBPGPG-UHFFFAOYSA-N 0 0 395.846 4.483 40 0 GIABRN O=C(CCc1ccccc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000047221134 570653791 /nfs/dbraw/zinc/65/37/91/570653791.db2.gz JAHCIGXTZAHPKV-UHFFFAOYSA-N 0 0 380.385 4.126 40 0 GIABRN O=C(c1ccc(Br)cc1)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000059475442 570657875 /nfs/dbraw/zinc/65/78/75/570657875.db2.gz RTESBYKQEYEWMR-UHFFFAOYSA-N 0 0 399.166 4.067 40 0 GIABRN COC(=O)c1c2c(sc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1)CCCC2 ZINC000008494114 570659114 /nfs/dbraw/zinc/65/91/14/570659114.db2.gz HSCCIAGHYXAZGG-AWEZNQCLSA-N 0 0 387.501 4.436 40 0 GIABRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)COC(=O)c1ccccc1Cc1ccccc1 ZINC000006049464 570668039 /nfs/dbraw/zinc/66/80/39/570668039.db2.gz UDCVNMWZMLUMEY-SVMVAKDDSA-N 0 0 379.500 4.375 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@H]3c2cccc(F)c2)cc1 ZINC000006679285 570673651 /nfs/dbraw/zinc/67/36/51/570673651.db2.gz ZVFKMGMRZHQTPN-YJYMSZOUSA-N 0 0 397.475 4.492 40 0 GIABRN CCN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(Cl)c2)NC1=S ZINC000409008167 570692268 /nfs/dbraw/zinc/69/22/68/570692268.db2.gz VSJKMQIQCQBALQ-YBEGLDIGSA-N 0 0 390.867 4.136 40 0 GIABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1c2ccccc2C[C@H]1C ZINC000260743596 570701543 /nfs/dbraw/zinc/70/15/43/570701543.db2.gz MMNUGYOSXMYOAB-MOPGFXCFSA-N 0 0 392.543 4.290 40 0 GIABRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(O)c(Br)c2)S1 ZINC000260753113 570702964 /nfs/dbraw/zinc/70/29/64/570702964.db2.gz BIWQGFPRHSJLBX-UHNFBRDESA-N 0 0 390.306 4.139 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(OC)c(O)cc3Cl)N21 ZINC000260766406 570704205 /nfs/dbraw/zinc/70/42/05/570704205.db2.gz JWGPBXLWGXVPOW-VQTKTOELSA-N 0 0 389.908 4.429 40 0 GIABRN COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 ZINC000260778125 570705186 /nfs/dbraw/zinc/70/51/86/570705186.db2.gz RBQBGYKQJXGKIV-IPHXSNPTSA-N 0 0 390.512 4.470 40 0 GIABRN COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 ZINC000260778123 570705222 /nfs/dbraw/zinc/70/52/22/570705222.db2.gz RBQBGYKQJXGKIV-GQWLDOHISA-N 0 0 390.512 4.470 40 0 GIABRN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000000781474 570709593 /nfs/dbraw/zinc/70/95/93/570709593.db2.gz UZTPVIKUCUZSOT-UHFFFAOYSA-N 0 0 380.517 4.236 40 0 GIABRN COc1cccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000001960710 570718462 /nfs/dbraw/zinc/71/84/62/570718462.db2.gz RXYADJNSNNIHHK-UHFFFAOYSA-N 0 0 387.741 4.163 40 0 GIABRN CCC[C@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102731065 570720575 /nfs/dbraw/zinc/72/05/75/570720575.db2.gz CGVSMVAPPLMWHE-BHDDXSALSA-N 0 0 386.451 4.318 40 0 GIABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(I)cc2)c1 ZINC000003524143 570724996 /nfs/dbraw/zinc/72/49/96/570724996.db2.gz JYBSHMGDOPBTDO-LBPRGKRZSA-N 0 0 381.213 4.006 40 0 GIABRN [O-]c1c(Br)cc(C(=S)N2CCCCC2)cc1Br ZINC000003664215 570725873 /nfs/dbraw/zinc/72/58/73/570725873.db2.gz GTKDXYPETVOKPE-UHFFFAOYSA-N 0 0 379.117 4.079 40 0 GIABRN O=C(Nc1ccc(Cl)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000005184634 570731117 /nfs/dbraw/zinc/73/11/17/570731117.db2.gz YIIAOJZZSHUWAJ-UHFFFAOYSA-N 0 0 386.860 4.393 40 0 GIABRN CCOc1c(Br)cc(C(=O)Nc2cccc(OC)c2)cc1OC ZINC000005558376 570733927 /nfs/dbraw/zinc/73/39/27/570733927.db2.gz GUKVKSKQNCBSSC-UHFFFAOYSA-N 0 0 380.238 4.117 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)CCCOc2ccc(OC)cc2)cc1 ZINC000005707712 570734351 /nfs/dbraw/zinc/73/43/51/570734351.db2.gz JBOMKMGWXDZBNK-UHFFFAOYSA-N 0 0 385.460 4.450 40 0 GIABRN O=C(CSc1nnc(COc2ccccc2)o1)Nc1ccccc1Cl ZINC000005684333 570734430 /nfs/dbraw/zinc/73/44/30/570734430.db2.gz NBNLNNOVCWZUDP-UHFFFAOYSA-N 0 0 375.837 4.033 40 0 GIABRN CCOC(=O)CSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000005869754 570735354 /nfs/dbraw/zinc/73/53/54/570735354.db2.gz QRXMWNUTDBNFDT-UHFFFAOYSA-N 0 0 376.787 4.471 40 0 GIABRN CCN(C(=O)Cn1cc(C=O)c2cc(Br)ccc21)c1ccccc1 ZINC000005947659 570736803 /nfs/dbraw/zinc/73/68/03/570736803.db2.gz XMFHDXGSTQDKJG-UHFFFAOYSA-N 0 0 385.261 4.269 40 0 GIABRN CCC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000006204802 570739045 /nfs/dbraw/zinc/73/90/45/570739045.db2.gz GQGMHXAMFJWSIH-QGZVFWFLSA-N 0 0 388.533 4.331 40 0 GIABRN CC(C)Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 ZINC000006345823 570740890 /nfs/dbraw/zinc/74/08/90/570740890.db2.gz ZVKCRRBWLVCNPU-KRWDZBQOSA-N 0 0 396.487 4.253 40 0 GIABRN O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000006539692 570746609 /nfs/dbraw/zinc/74/66/09/570746609.db2.gz LFHUVJSJWJPLML-UHFFFAOYSA-N 0 0 393.306 4.002 40 0 GIABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccccc2F)cc1 ZINC000006630472 570748391 /nfs/dbraw/zinc/74/83/91/570748391.db2.gz FLOIREDERIXCEW-UHFFFAOYSA-N 0 0 378.403 4.244 40 0 GIABRN Cc1ccc(CN2Cc3cc4c(C)nn(-c5ccc(F)cc5)c4nc3OC2=O)o1 ZINC000013227382 570751193 /nfs/dbraw/zinc/75/11/93/570751193.db2.gz ANSQWZUZVPSDSK-UHFFFAOYSA-N 0 0 392.390 4.284 40 0 GIABRN CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(OC(C)C)cc3)CC2=O)cc1 ZINC000006880982 570752595 /nfs/dbraw/zinc/75/25/95/570752595.db2.gz PSUMDUVNWYHUOX-KRWDZBQOSA-N 0 0 396.487 4.254 40 0 GIABRN COc1ccccc1C(=O)N1[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C)C[C@@H]2CCCC[C@@H]21 ZINC000107332100 570756745 /nfs/dbraw/zinc/75/67/45/570756745.db2.gz PFEAOGPSDOLYCY-FFZBTMFNSA-N 0 0 398.547 4.163 40 0 GIABRN Cc1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000007602735 570761296 /nfs/dbraw/zinc/76/12/96/570761296.db2.gz KLHOPHLRADHJNA-UHFFFAOYSA-N 0 0 378.860 4.364 40 0 GIABRN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000007871995 570762441 /nfs/dbraw/zinc/76/24/41/570762441.db2.gz KJMQVHXXCIWJGK-UHFFFAOYSA-N 0 0 387.288 4.032 40 0 GIABRN CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1ccccc1C ZINC000007970724 570763602 /nfs/dbraw/zinc/76/36/02/570763602.db2.gz PRGGCCLMWNSFPR-UHFFFAOYSA-N 0 0 384.480 4.452 40 0 GIABRN Cc1cccc(N(CCCC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 ZINC000008041800 570764005 /nfs/dbraw/zinc/76/40/05/570764005.db2.gz VPWLEDWFHLMHSV-UHFFFAOYSA-N 0 0 388.533 4.303 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cc1 ZINC000008287578 570766825 /nfs/dbraw/zinc/76/68/25/570766825.db2.gz KBPHUQIXFNXDEH-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN COc1cc(CNn2cn[nH]c2=S)ccc1OCc1c(F)cccc1Cl ZINC000008471377 570769065 /nfs/dbraw/zinc/76/90/65/570769065.db2.gz BMEKRDJSLSCKCS-UHFFFAOYSA-N 0 0 394.859 4.064 40 0 GIABRN Cc1cc(C)c(S(=O)(=O)NCCCc2ccc(OC(C)C)cc2)c(C)c1 ZINC000013668927 570770078 /nfs/dbraw/zinc/77/00/78/570770078.db2.gz MSPCXOXFNWXPFY-UHFFFAOYSA-N 0 0 375.534 4.310 40 0 GIABRN C[C@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013676557 570772153 /nfs/dbraw/zinc/77/21/53/570772153.db2.gz IKUWYHMATKVYNC-SFHVURJKSA-N 0 0 380.532 4.307 40 0 GIABRN CCC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 ZINC000008810453 570772614 /nfs/dbraw/zinc/77/26/14/570772614.db2.gz PHXVUJDNRJFVDL-GFCCVEGCSA-N 0 0 398.887 4.198 40 0 GIABRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4C)[C@@H]3C2=O)cc1 ZINC000097954476 570772777 /nfs/dbraw/zinc/77/27/77/570772777.db2.gz NTWYOLBMNRGCRN-VABKMULXSA-N 0 0 398.462 4.355 40 0 GIABRN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](C)Oc2ccccc2Cl)CC1 ZINC000013709880 570777499 /nfs/dbraw/zinc/77/74/99/570777499.db2.gz FJVCMIOYJBKCSS-OAHLLOKOSA-N 0 0 393.314 4.418 40 0 GIABRN CCCCc1ccc(NC(=O)[C@@H](CC)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000013711577 570777878 /nfs/dbraw/zinc/77/78/78/570777878.db2.gz FSPFAYDNNHQTSQ-HXUWFJFHSA-N 0 0 388.533 4.213 40 0 GIABRN CC[C@@H](C(=O)Nc1ccc(Cl)cc1C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713339 570778373 /nfs/dbraw/zinc/77/83/73/570778373.db2.gz UIPSGLMJDHHRCZ-SFHVURJKSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715193 570778859 /nfs/dbraw/zinc/77/88/59/570778859.db2.gz WDLGBFQRIZFHOK-LJQANCHMSA-N 0 0 392.496 4.132 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)cc1 ZINC000170564433 570787755 /nfs/dbraw/zinc/78/77/55/570787755.db2.gz YWXSOSXKUADTJK-UHFFFAOYSA-N 0 0 390.443 4.266 40 0 GIABRN Cc1ccc(Cn2c3ccccc3c(=O)n(-c3ccc(Cl)cc3)c2=O)cc1 ZINC000010338864 570789755 /nfs/dbraw/zinc/78/97/55/570789755.db2.gz INEADMUNPDDHOF-UHFFFAOYSA-N 0 0 376.843 4.163 40 0 GIABRN COc1ccc([C@@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccccc2F)cc1 ZINC000011116531 570794322 /nfs/dbraw/zinc/79/43/22/570794322.db2.gz RHLPGRBMYLZJCC-VQTJNVASSA-N 0 0 397.475 4.342 40 0 GIABRN COc1ccc([C@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccc(F)cc2)cc1 ZINC000011116972 570794337 /nfs/dbraw/zinc/79/43/37/570794337.db2.gz ONIOOIFYQOKSMF-UXHICEINSA-N 0 0 397.475 4.342 40 0 GIABRN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccc2Cl)o1 ZINC000012178009 570802840 /nfs/dbraw/zinc/80/28/40/570802840.db2.gz XGTDAEVCWXJPKJ-UHFFFAOYSA-N 0 0 389.864 4.438 40 0 GIABRN Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3)o2)cc1Cl ZINC000012249399 570804223 /nfs/dbraw/zinc/80/42/23/570804223.db2.gz BBHNAEXOOVZYEW-UHFFFAOYSA-N 0 0 389.864 4.341 40 0 GIABRN Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000013993765 570813256 /nfs/dbraw/zinc/81/32/56/570813256.db2.gz XIBQPSXGRWPDPR-QGZVFWFLSA-N 0 0 380.488 4.464 40 0 GIABRN Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000013993814 570813356 /nfs/dbraw/zinc/81/33/56/570813356.db2.gz YGUHSYCEDWIFRH-GOSISDBHSA-N 0 0 388.467 4.331 40 0 GIABRN CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000014012174 570814701 /nfs/dbraw/zinc/81/47/01/570814701.db2.gz IAXRHGIGIVJCDD-UHFFFAOYSA-N 0 0 388.467 4.310 40 0 GIABRN NC(=O)c1ccc2c(c1)CCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000038540004 570815220 /nfs/dbraw/zinc/81/52/20/570815220.db2.gz CXHBFYPPQMLEBE-UHFFFAOYSA-N 0 0 398.462 4.093 40 0 GIABRN C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000014737856 570857736 /nfs/dbraw/zinc/85/77/36/570857736.db2.gz NVMUCTCXMFGBIX-HUUCEWRRSA-N 0 0 376.294 4.354 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)ccc2C)cc1Br ZINC000013670066 570861653 /nfs/dbraw/zinc/86/16/53/570861653.db2.gz OTNMEOCYSNVDBB-CYBMUJFWSA-N 0 0 398.322 4.114 40 0 GIABRN CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccccc3)n2C)cc1 ZINC000013842423 570867404 /nfs/dbraw/zinc/86/74/04/570867404.db2.gz MOLLKNBMOOBYRO-UHFFFAOYSA-N 0 0 396.516 4.248 40 0 GIABRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000013991603 570868878 /nfs/dbraw/zinc/86/88/78/570868878.db2.gz DNHZIPGITQBCTL-SFHVURJKSA-N 0 0 388.467 4.331 40 0 GIABRN Cc1cccc(NC(=O)CSc2nnc(COc3cccc(C)c3C)n2C)c1 ZINC000014126257 570876975 /nfs/dbraw/zinc/87/69/75/570876975.db2.gz UXBHZFLPMNVNRQ-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN Cc1nn(C)cc1-c1nn(Cc2ccc(C)cc2)c(-c2cn(C)nc2C)c1Cl ZINC000036611593 570882856 /nfs/dbraw/zinc/88/28/56/570882856.db2.gz XBZKMAXHRXDMSC-UHFFFAOYSA-N 0 0 394.910 4.311 40 0 GIABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000014397635 570883266 /nfs/dbraw/zinc/88/32/66/570883266.db2.gz XFVZDAQAGCLDNS-MRXNPFEDSA-N 0 0 379.840 4.162 40 0 GIABRN C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000015197281 570884985 /nfs/dbraw/zinc/88/49/85/570884985.db2.gz GKJMQWHZRRGKIP-QGZVFWFLSA-N 0 0 393.508 4.099 40 0 GIABRN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)N[C@H](C)c1ccnn1CC ZINC000036615853 570886175 /nfs/dbraw/zinc/88/61/75/570886175.db2.gz VPYOCRFUJDKXGZ-CQSZACIVSA-N 0 0 394.523 4.125 40 0 GIABRN Cc1cc(OC(=O)c2ccc(Cl)cc2Cl)n(-c2nc(C)cc(C)n2)n1 ZINC000014608447 570894010 /nfs/dbraw/zinc/89/40/10/570894010.db2.gz DYZWIVWTXNWIHQ-UHFFFAOYSA-N 0 0 377.231 4.114 40 0 GIABRN COc1cccc(C(=O)NC[C@H]2CC[C@H](c3n[nH]cc3-c3ccncc3)CC2)c1 ZINC000257261328 570896032 /nfs/dbraw/zinc/89/60/32/570896032.db2.gz LGTWILYYOSNINI-SAABIXHNSA-N 0 0 390.487 4.184 40 0 GIABRN O=C(NCc1ccccc1Cl)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 ZINC000015936017 570909379 /nfs/dbraw/zinc/90/93/79/570909379.db2.gz SQWNERIUIDWTCG-OAHLLOKOSA-N 0 0 389.858 4.039 40 0 GIABRN CC(=O)n1c(-c2ccccc2)nc2c1SC(c1ccc(C)cc1)=NN2C(C)=O ZINC000016806843 570911073 /nfs/dbraw/zinc/91/10/73/570911073.db2.gz FZHKXLNEYRGRBE-UHFFFAOYSA-N 0 0 390.468 4.339 40 0 GIABRN C[C@H](CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000042646683 570914627 /nfs/dbraw/zinc/91/46/27/570914627.db2.gz FFNKHHONVUKGBR-LLVKDONJSA-N 0 0 384.785 4.217 40 0 GIABRN O=C(COc1ccccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000049936986 570915192 /nfs/dbraw/zinc/91/51/92/570915192.db2.gz QTOUKCVQKQXKFG-UHFFFAOYSA-N 0 0 398.812 4.086 40 0 GIABRN O=S(=O)(Nc1c(F)cccc1C(F)(F)F)c1ccccc1Br ZINC000199752992 570920023 /nfs/dbraw/zinc/92/00/23/570920023.db2.gz AZNODESAEMZQDD-UHFFFAOYSA-N 0 0 398.175 4.408 40 0 GIABRN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cccc3ccccc32)c(C)c1 ZINC000016267541 570920185 /nfs/dbraw/zinc/92/01/85/570920185.db2.gz BCMAUBCWRDFBAW-UHFFFAOYSA-N 0 0 396.512 4.024 40 0 GIABRN COc1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000189097144 570923721 /nfs/dbraw/zinc/92/37/21/570923721.db2.gz UJJQILJHKRYPAD-UHFFFAOYSA-N 0 0 376.859 4.338 40 0 GIABRN CCC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000019499682 570926711 /nfs/dbraw/zinc/92/67/11/570926711.db2.gz NTHLCYMDSUUVHZ-FQEVSTJZSA-N 0 0 379.483 4.105 40 0 GIABRN Cc1ccc(C(=O)N2CCC[C@@]3(CCN3c3ncnc4ccccc43)C2)c(C)c1 ZINC000585102365 570930579 /nfs/dbraw/zinc/93/05/79/570930579.db2.gz YKWZDHNYMSONHI-XMMPIXPASA-N 0 0 386.499 4.132 40 0 GIABRN CC(=O)Nc1cccc(/C=C\c2nc(N)nc(N)c2-c2ccc(Cl)cc2)c1 ZINC000017040148 570937980 /nfs/dbraw/zinc/93/79/80/570937980.db2.gz YBGXPSTUBSFQLY-YHYXMXQVSA-N 0 0 379.851 4.090 40 0 GIABRN CSc1ccc([C@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000020029868 570940336 /nfs/dbraw/zinc/94/03/36/570940336.db2.gz VHNKILFRTJNXMX-NSHDSACASA-N 0 0 386.336 4.211 40 0 GIABRN CC(C)c1ccc(CN2CCc3oc(C(=O)N4C[C@@H](C)C[C@H](C)C4)nc3C2)cc1 ZINC000585111525 570941968 /nfs/dbraw/zinc/94/19/68/570941968.db2.gz CQNSEEJVPAKUBJ-ROUUACIJSA-N 0 0 395.547 4.474 40 0 GIABRN CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccc(Br)cc2Cl)C1 ZINC000044137847 570948149 /nfs/dbraw/zinc/94/81/49/570948149.db2.gz RBAPUZHPSLIZNY-LLVKDONJSA-N 0 0 376.678 4.491 40 0 GIABRN Cc1ccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000018044126 570950031 /nfs/dbraw/zinc/95/00/31/570950031.db2.gz LOFSKEOVQRAXSE-UHFFFAOYSA-N 0 0 383.451 4.074 40 0 GIABRN C[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000018109992 570950739 /nfs/dbraw/zinc/95/07/39/570950739.db2.gz PBOXPNFYOKJACS-STQMWFEESA-N 0 0 377.893 4.469 40 0 GIABRN CC(=O)N1CCCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000019017270 570954521 /nfs/dbraw/zinc/95/45/21/570954521.db2.gz KOCKBHOZBOBDJE-FQEVSTJZSA-N 0 0 391.450 4.495 40 0 GIABRN CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C(C)(C)C)C1 ZINC000019081003 570956065 /nfs/dbraw/zinc/95/60/65/570956065.db2.gz PNDKZVYARDARAN-RUZDIDTESA-N 0 0 392.543 4.249 40 0 GIABRN CN(C[C@H]1OCCc2ccccc21)C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 ZINC000019082397 570956309 /nfs/dbraw/zinc/95/63/09/570956309.db2.gz HOZNFZOBLYWVEC-OXJNMPFZSA-N 0 0 382.504 4.212 40 0 GIABRN CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccc(C)c(C)c1)c1ccc(F)cc1 ZINC000019213692 570961389 /nfs/dbraw/zinc/96/13/89/570961389.db2.gz YPBIFXMXVJCQFW-FCHUYYIVSA-N 0 0 382.479 4.374 40 0 GIABRN Cc1cccc(O[C@@H](C)c2nnc(NC(=O)CC[C@@H]3CCCO3)s2)c1C ZINC000019235684 570965960 /nfs/dbraw/zinc/96/59/60/570965960.db2.gz VSJUAUVEJKLKRA-GJZGRUSLSA-N 0 0 375.494 4.193 40 0 GIABRN COc1c(C)cccc1C(=O)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1C ZINC000019235844 570966017 /nfs/dbraw/zinc/96/60/17/570966017.db2.gz GJYXFZRTWWYIAG-HXUWFJFHSA-N 0 0 390.487 4.465 40 0 GIABRN CNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)CC(C)C)C1 ZINC000019235466 570966037 /nfs/dbraw/zinc/96/60/37/570966037.db2.gz FTLOOMASYMPCHI-RUZDIDTESA-N 0 0 392.543 4.215 40 0 GIABRN Cc1cc(C(F)(F)F)nn1CCC(=O)N[C@@H](C)Cc1c[nH]c2c1cccc2C ZINC000019236609 570966599 /nfs/dbraw/zinc/96/65/99/570966599.db2.gz HBUKLRKLSGYSRY-ZDUSSCGKSA-N 0 0 392.425 4.138 40 0 GIABRN Cc1nc2cc(NC(=O)CN(Cc3ccccc3)Cc3ncccc3C)ccc2[nH]1 ZINC000019237780 570967288 /nfs/dbraw/zinc/96/72/88/570967288.db2.gz ZZTLJAGOWQWXON-UHFFFAOYSA-N 0 0 399.498 4.216 40 0 GIABRN Cc1cnccc1-c1cnc(C)nc1[C@H]1CCCN1C(=O)c1cc(C(C)C)no1 ZINC000019239842 570968870 /nfs/dbraw/zinc/96/88/70/570968870.db2.gz BAHNEPJHMDUYTP-LJQANCHMSA-N 0 0 391.475 4.244 40 0 GIABRN Clc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1Cl ZINC000019292883 570972713 /nfs/dbraw/zinc/97/27/13/570972713.db2.gz NILRIPZANJRJIC-UHFFFAOYSA-N 0 0 390.274 4.213 40 0 GIABRN O=C(CC1CCCC1)N[C@@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccc(F)cc1 ZINC000019332457 570975520 /nfs/dbraw/zinc/97/55/20/570975520.db2.gz PLKURMKMDQLRIW-FQEVSTJZSA-N 0 0 397.494 4.157 40 0 GIABRN O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 ZINC000019331822 570975633 /nfs/dbraw/zinc/97/56/33/570975633.db2.gz SXCKMNGSTPYTGS-ZDUSSCGKSA-N 0 0 396.447 4.438 40 0 GIABRN O=C(C1CC1)N1CCC[C@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 ZINC000019344243 570977636 /nfs/dbraw/zinc/97/76/36/570977636.db2.gz KKKIHJZNZIOJBO-LBPRGKRZSA-N 0 0 381.423 4.340 40 0 GIABRN COc1cc(CNc2cccc(C)c2)cc(I)c1OC ZINC000237277794 570978994 /nfs/dbraw/zinc/97/89/94/570978994.db2.gz MCMDIQSJOYSZFE-UHFFFAOYSA-N 0 0 383.229 4.229 40 0 GIABRN O=C(CC1CCCC1)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccccc2)C1 ZINC000019374304 570981595 /nfs/dbraw/zinc/98/15/95/570981595.db2.gz NOGSZWGWNGENGA-QFIPXVFZSA-N 0 0 390.527 4.051 40 0 GIABRN O=C(Cc1ccccc1)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000240634738 570981809 /nfs/dbraw/zinc/98/18/09/570981809.db2.gz AERUGXIRRXQPIE-UHFFFAOYSA-N 0 0 391.298 4.413 40 0 GIABRN O=C(NC1CCC2(CC1)CC(=O)c1ccccc1O2)c1ccc2ccccc2n1 ZINC000019376314 570982232 /nfs/dbraw/zinc/98/22/32/570982232.db2.gz AUSUIZPTDQYIFN-UHFFFAOYSA-N 0 0 386.451 4.311 40 0 GIABRN O=C(C1CCCC1)N1CCC(c2nnc(-c3nccc4ccccc43)o2)CC1 ZINC000019376506 570982524 /nfs/dbraw/zinc/98/25/24/570982524.db2.gz HGNZOSLLIHBURV-UHFFFAOYSA-N 0 0 376.460 4.181 40 0 GIABRN CC(C)CC(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(=O)N(C)C)C1 ZINC000019446198 570983780 /nfs/dbraw/zinc/98/37/80/570983780.db2.gz LPRPZEHSMBKWCT-HSZRJFAPSA-N 0 0 398.572 4.311 40 0 GIABRN CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000242419991 570985310 /nfs/dbraw/zinc/98/53/10/570985310.db2.gz BIVODWFOLZHLCZ-UHFFFAOYSA-N 0 0 392.543 4.495 40 0 GIABRN CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000242602908 570985410 /nfs/dbraw/zinc/98/54/10/570985410.db2.gz CKIGNRFDVNOORK-GFCCVEGCSA-N 0 0 393.270 4.384 40 0 GIABRN CC(C)Oc1cccc(CNC(=O)c2cc(-c3cccnc3)c3cnccc3n2)c1 ZINC000019450939 570985782 /nfs/dbraw/zinc/98/57/82/570985782.db2.gz BQNDHZFOIFTONJ-UHFFFAOYSA-N 0 0 398.466 4.409 40 0 GIABRN CC(=O)N1CCc2nc([C@@H]3CCCCN3Cc3ccc(C(C)C)cc3)ncc2C1 ZINC000019453268 570986353 /nfs/dbraw/zinc/98/63/53/570986353.db2.gz FSHCJJLJJOMQCF-QHCPKHFHSA-N 0 0 392.547 4.232 40 0 GIABRN COc1ccc([C@@H](NC(=O)[C@H](C)n2ccnc2C(C)C)c2ccccc2)cc1 ZINC000019454319 570986796 /nfs/dbraw/zinc/98/67/96/570986796.db2.gz MHLXAUJMUDUQIU-UWJYYQICSA-N 0 0 377.488 4.482 40 0 GIABRN C[C@@H](Cn1cnc2ccccc21)C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000019457699 570987526 /nfs/dbraw/zinc/98/75/26/570987526.db2.gz NGXDXKYEFKNTOA-ZWKOTPCHSA-N 0 0 395.478 4.129 40 0 GIABRN COc1ccccc1[C@H](C)NC(=O)c1cc(-c2ccncc2)c2cnccc2n1 ZINC000019459528 570988380 /nfs/dbraw/zinc/98/83/80/570988380.db2.gz CPWJXZZNOJBFQD-HNNXBMFYSA-N 0 0 384.439 4.191 40 0 GIABRN COc1ccccc1[C@@H](C)NC(=O)c1cc(-c2ccncc2)c2cnccc2n1 ZINC000019459526 570988474 /nfs/dbraw/zinc/98/84/74/570988474.db2.gz CPWJXZZNOJBFQD-OAHLLOKOSA-N 0 0 384.439 4.191 40 0 GIABRN COc1ccccc1[C@H](C)NC(=O)c1cc(-c2cccnc2)c2cnccc2n1 ZINC000019459524 570988561 /nfs/dbraw/zinc/98/85/61/570988561.db2.gz GVOPBACABNTTFC-HNNXBMFYSA-N 0 0 384.439 4.191 40 0 GIABRN CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(C(C)=O)cc2)CC1=O ZINC000244211549 570989305 /nfs/dbraw/zinc/98/93/05/570989305.db2.gz VUNLTJRJRAKQCU-LJQANCHMSA-N 0 0 378.472 4.006 40 0 GIABRN CCC(=O)N1CC[C@@](Cc2cccc(-c3ccc(F)cc3)c2)(C(=O)NC(C)C)C1 ZINC000019498436 570990728 /nfs/dbraw/zinc/99/07/28/570990728.db2.gz JPVHCZZHDWDPSL-DEOSSOPVSA-N 0 0 396.506 4.189 40 0 GIABRN C[C@H]1Cc2cc(CN3CCc4onc(Nc5cccc(F)c5)c4C3)ccc2O1 ZINC000019498206 570990777 /nfs/dbraw/zinc/99/07/77/570990777.db2.gz PKFVHPHVAXQVQQ-AWEZNQCLSA-N 0 0 379.435 4.439 40 0 GIABRN CCC(CC)C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1 ZINC000019500267 570992062 /nfs/dbraw/zinc/99/20/62/570992062.db2.gz NLMPQITVSPSSLR-UHFFFAOYSA-N 0 0 380.467 4.304 40 0 GIABRN CCCC(=O)N1CC[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 ZINC000019501027 570992453 /nfs/dbraw/zinc/99/24/53/570992453.db2.gz GOOWFEHCDJTTNO-JOCHJYFZSA-N 0 0 384.545 4.065 40 0 GIABRN CCCC(=O)N1CC[C@@](Cc2ccccc2-c2cccs2)(C(=O)NCC)C1 ZINC000019501072 570992641 /nfs/dbraw/zinc/99/26/41/570992641.db2.gz RNKADRUMIIBHOA-QFIPXVFZSA-N 0 0 384.545 4.113 40 0 GIABRN CCCC(=O)N1CCC[C@@](Cc2cccc(-c3cccs3)c2)(C(=O)NC)C1 ZINC000019501220 570992873 /nfs/dbraw/zinc/99/28/73/570992873.db2.gz DZWBOFYVVFNQEY-QFIPXVFZSA-N 0 0 384.545 4.113 40 0 GIABRN CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3Cc3ccncc3C)cc2n1 ZINC000019522352 570994960 /nfs/dbraw/zinc/99/49/60/570994960.db2.gz VUULFGVJQIDBQS-QGZVFWFLSA-N 0 0 389.425 4.351 40 0 GIABRN CCc1ccc(C(=O)N2CCC(c3nc(C)ncc3-c3cc(C)no3)CC2)cc1 ZINC000019522862 570995454 /nfs/dbraw/zinc/99/54/54/570995454.db2.gz YYPSQSNUKVSSNK-UHFFFAOYSA-N 0 0 390.487 4.331 40 0 GIABRN CCn1cc(CN2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cn1 ZINC000019524929 570996928 /nfs/dbraw/zinc/99/69/28/570996928.db2.gz KFEHKTOGUTZXIJ-IBGZPJMESA-N 0 0 394.475 4.404 40 0 GIABRN Cc1cc(Br)c(Br)cc1I ZINC000065356394 571000215 /nfs/dbraw/zinc/00/02/15/571000215.db2.gz PXVCIVRAQZUPMN-UHFFFAOYSA-N 0 0 375.829 4.125 40 0 GIABRN COc1ccc(OC)c2[nH]c(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)cc21 ZINC000019552909 571002089 /nfs/dbraw/zinc/00/20/89/571002089.db2.gz NTDACMFOOGYTRS-KRWDZBQOSA-N 0 0 390.443 4.039 40 0 GIABRN COc1ccc(CN(Cc2cccnc2)C(=O)c2cccc(-n3cccn3)c2)cc1 ZINC000019554806 571003008 /nfs/dbraw/zinc/00/30/08/571003008.db2.gz USTXKNMYVOEBPT-UHFFFAOYSA-N 0 0 398.466 4.119 40 0 GIABRN Cc1noc(-c2cn[nH]c2[C@@H]2CCCCN2C(=O)Cc2cccc(F)c2)c1C ZINC000019557862 571004005 /nfs/dbraw/zinc/00/40/05/571004005.db2.gz BKJZQPBADQPESH-SFHVURJKSA-N 0 0 382.439 4.117 40 0 GIABRN Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](c1cccs1)c1ccncc1 ZINC000019561036 571005529 /nfs/dbraw/zinc/00/55/29/571005529.db2.gz CNUYZUNRKPMGBA-QGZVFWFLSA-N 0 0 392.509 4.489 40 0 GIABRN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000019578584 571012558 /nfs/dbraw/zinc/01/25/58/571012558.db2.gz OTSSWKKIFUEFIB-UHFFFAOYSA-N 0 0 394.504 4.046 40 0 GIABRN Cc1nn(C)cc1-c1cc(C(=O)N2CCC(CCc3ccccc3F)CC2)on1 ZINC000019584054 571014496 /nfs/dbraw/zinc/01/44/96/571014496.db2.gz KTKSKUVPIKQVNI-UHFFFAOYSA-N 0 0 396.466 4.008 40 0 GIABRN Cc1cccc(-c2noc(CCC(=O)Nc3ccc4nc(C)c(C)nc4c3)n2)c1 ZINC000019656235 571023358 /nfs/dbraw/zinc/02/33/58/571023358.db2.gz JCQCPRPPVDIOAC-UHFFFAOYSA-N 0 0 387.443 4.176 40 0 GIABRN CC(C)(C)c1nc2cc(NC(=O)c3cccc(CN4CCCC4=O)c3)ccc2[nH]1 ZINC000019660476 571025326 /nfs/dbraw/zinc/02/53/26/571025326.db2.gz DVQGVJCAKXYMRA-UHFFFAOYSA-N 0 0 390.487 4.235 40 0 GIABRN COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3-c3cc(C)[nH]n3)n[nH]2)cc1 ZINC000019660065 571025534 /nfs/dbraw/zinc/02/55/34/571025534.db2.gz QSHLYLMIXDDTAJ-UHFFFAOYSA-N 0 0 387.443 4.345 40 0 GIABRN COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3cccc(OC)c3)no2)cc1 ZINC000019661055 571025792 /nfs/dbraw/zinc/02/57/92/571025792.db2.gz FKIRUXIMDKCYQO-FQEVSTJZSA-N 0 0 378.428 4.336 40 0 GIABRN O=C(NCC1(c2ccccc2Cl)CC1)C1(c2ccccc2F)CCOCC1 ZINC000019662219 571026111 /nfs/dbraw/zinc/02/61/11/571026111.db2.gz GDFCFOUHXNXPKR-UHFFFAOYSA-N 0 0 387.882 4.375 40 0 GIABRN Cc1cc(C)cc(C2(C(=O)NCc3ccccc3N3CCCC3)CCOCC2)c1 ZINC000019662003 571026242 /nfs/dbraw/zinc/02/62/42/571026242.db2.gz AXTJBXDVGIENIY-UHFFFAOYSA-N 0 0 392.543 4.268 40 0 GIABRN Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000019664251 571027024 /nfs/dbraw/zinc/02/70/24/571027024.db2.gz DXTSXXVERBFHHT-FQEVSTJZSA-N 0 0 391.515 4.238 40 0 GIABRN CCc1cc(C(=O)N2CCC(Oc3cccc(C)c3)CC2)c2c(C)noc2n1 ZINC000019663530 571027149 /nfs/dbraw/zinc/02/71/49/571027149.db2.gz KNEPJDKOOWWDKR-UHFFFAOYSA-N 0 0 379.460 4.086 40 0 GIABRN CCn1cc(-c2cc(C(=O)Nc3c(C)cc(C)cc3-c3cc(C)[nH]n3)no2)cn1 ZINC000019665081 571027257 /nfs/dbraw/zinc/02/72/57/571027257.db2.gz KXPKKQAXACIQTB-UHFFFAOYSA-N 0 0 390.447 4.126 40 0 GIABRN CC[C@H](NC(=O)c1cc2cccc(OC)c2nc1C)c1c(C)nn(CC)c1C ZINC000019664866 571027318 /nfs/dbraw/zinc/02/73/18/571027318.db2.gz HRHVZYBOYFLUCH-SFHVURJKSA-N 0 0 380.492 4.266 40 0 GIABRN COCc1c(C)onc1C(=O)Nc1nc(-c2cc(C)c(OC)cc2C)cs1 ZINC000019666801 571027744 /nfs/dbraw/zinc/02/77/44/571027744.db2.gz QCHKNQRMABIQQQ-UHFFFAOYSA-N 0 0 387.461 4.131 40 0 GIABRN Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)c2ccc(N)nc2)n1 ZINC000019692048 571029659 /nfs/dbraw/zinc/02/96/59/571029659.db2.gz PCDCABWDWKXQEV-NRFANRHFSA-N 0 0 390.462 4.074 40 0 GIABRN Nc1ccc(-c2ccc([C@@H]3CCCN3C(=O)Cc3c[nH]c4ccccc34)nc2)cn1 ZINC000019691763 571029811 /nfs/dbraw/zinc/02/98/11/571029811.db2.gz DOHSHJARQULHDZ-QFIPXVFZSA-N 0 0 397.482 4.113 40 0 GIABRN CCc1nnc2n1C[C@H](c1ccc(NC(=O)c3cccc4ncccc43)cc1)CC2 ZINC000019699031 571030928 /nfs/dbraw/zinc/03/09/28/571030928.db2.gz WJHGALRLFDKHKA-QGZVFWFLSA-N 0 0 397.482 4.371 40 0 GIABRN C[C@H]1Cc2cc(CN(C)C(=O)CCc3nc4cc(Cl)ccc4n3C)ccc2O1 ZINC000019714224 571035657 /nfs/dbraw/zinc/03/56/57/571035657.db2.gz IEXDOBGRPGWZCV-AWEZNQCLSA-N 0 0 397.906 4.141 40 0 GIABRN Cn1c(CCc2ccc(NCc3cnn4cccnc34)cc2)nc2ccccc21 ZINC000019715821 571037843 /nfs/dbraw/zinc/03/78/43/571037843.db2.gz RUCXXJMOPGXWLR-UHFFFAOYSA-N 0 0 382.471 4.013 40 0 GIABRN CC(C)c1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(Nc2ccccc2)n1 ZINC000328957114 571046726 /nfs/dbraw/zinc/04/67/26/571046726.db2.gz AJFBWEZSOWDHBG-KRWDZBQOSA-N 0 0 388.515 4.382 40 0 GIABRN O=C1S/C(=C/c2cccc(O)c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000215271351 571049044 /nfs/dbraw/zinc/04/90/44/571049044.db2.gz MVUBXUJBDBFZFZ-FZSIALSZSA-N 0 0 389.816 4.011 40 0 GIABRN O=C(OCc1ccc(Cl)cc1)c1cccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000016399264 571049476 /nfs/dbraw/zinc/04/94/76/571049476.db2.gz UKKBXVBEANEENW-KDURUIRLSA-N 0 0 397.858 4.377 40 0 GIABRN O=C(c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1)N1CCCCO1 ZINC000096037826 571096969 /nfs/dbraw/zinc/09/69/69/571096969.db2.gz YHXDZXMWJXYGGI-UHFFFAOYSA-N 0 0 393.374 4.457 40 0 GIABRN c1csc(CN2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)n1 ZINC000096038319 571097156 /nfs/dbraw/zinc/09/71/56/571097156.db2.gz BURPLQNAJQZNRH-UHFFFAOYSA-N 0 0 390.516 4.309 40 0 GIABRN Cc1ccc(C(=O)N2CCC3(C[C@H](CC(=O)NC(C)C)c4ccccc43)CC2)o1 ZINC000096052647 571097543 /nfs/dbraw/zinc/09/75/43/571097543.db2.gz PIXBJCRDOMXCIT-SFHVURJKSA-N 0 0 394.515 4.164 40 0 GIABRN Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccccc1Cl ZINC000003507279 817473432 /nfs/dbraw/zinc/47/34/32/817473432.db2.gz ZCDMYEBBVPNZAP-UHFFFAOYSA-N 0 0 382.641 4.206 40 0 GIABRN O=C(CSc1ccc([N+](=O)[O-])cn1)N1c2ccccc2S[C@@H]2C=CC=C[C@@H]21 ZINC000006045725 817643408 /nfs/dbraw/zinc/64/34/08/817643408.db2.gz KWBTVALNOJZJRZ-GOEBONIOSA-N 0 0 397.481 4.084 40 0 GIABRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(OCC)c2)c1 ZINC000006386550 817686806 /nfs/dbraw/zinc/68/68/06/817686806.db2.gz ZMGZQSBOSHYGLM-UHFFFAOYSA-N 0 0 399.516 4.341 40 0 GIABRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Oc3cccc(C)c3)cc2)cc1 ZINC000006479891 817697315 /nfs/dbraw/zinc/69/73/15/817697315.db2.gz ACZPVRIBMBOHED-UHFFFAOYSA-N 0 0 380.465 4.497 40 0 GIABRN O=C(CN1C(=O)SC(=CC=Cc2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000006495807 817698078 /nfs/dbraw/zinc/69/80/78/817698078.db2.gz BNXCQWHEIQQPBF-UOWZEBRGSA-N 0 0 394.408 4.070 40 0 GIABRN O=C1C[C@H](c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)n2ncnc2N1 ZINC000006505602 817698831 /nfs/dbraw/zinc/69/88/31/817698831.db2.gz NKYDGXWDUBZSAF-LLVKDONJSA-N 0 0 382.729 4.142 40 0 GIABRN CC(C)COC(=O)NCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006616140 817710989 /nfs/dbraw/zinc/71/09/89/817710989.db2.gz BGCSTUBBRXORQE-UHFFFAOYSA-N 0 0 384.520 4.475 40 0 GIABRN CCCN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)C(C(=O)OC)=C1C ZINC000006654685 817716210 /nfs/dbraw/zinc/71/62/10/817716210.db2.gz GJWFXQIDTYGBHD-QNGOZBTKSA-N 0 0 391.467 4.348 40 0 GIABRN CC[C@@H](OC(=O)c1ccc(Cn2nnc3ccccc32)cc1)C(=O)c1ccccc1 ZINC000007076575 817754193 /nfs/dbraw/zinc/75/41/93/817754193.db2.gz XDKZYRBXSJKVMV-JOCHJYFZSA-N 0 0 399.450 4.298 40 0 GIABRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1C ZINC000007381950 817828295 /nfs/dbraw/zinc/82/82/95/817828295.db2.gz WRLIZBBGYQWJPA-SFHVURJKSA-N 0 0 386.923 4.381 40 0 GIABRN COc1ccc(Cl)cc1-c1nc(Sc2ccc(C=O)cc2[N+](=O)[O-])n[nH]1 ZINC000007610272 817879122 /nfs/dbraw/zinc/87/91/22/817879122.db2.gz QIEYEVRVHOUKHM-UHFFFAOYSA-N 0 0 390.808 4.006 40 0 GIABRN CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 ZINC000007928374 817961724 /nfs/dbraw/zinc/96/17/24/817961724.db2.gz RFPQBOMNXNQFCN-ZDUSSCGKSA-N 0 0 391.254 4.188 40 0 GIABRN COc1ccccc1N1C[C@@H](C(=O)Oc2ccccc2-c2ccccc2)CC1=O ZINC000007929024 817962299 /nfs/dbraw/zinc/96/22/99/817962299.db2.gz ZIWUXBDBAXAHTP-SFHVURJKSA-N 0 0 387.435 4.321 40 0 GIABRN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccccc1 ZINC000007928377 817962321 /nfs/dbraw/zinc/96/23/21/817962321.db2.gz MPIHPPPFUSMKDF-GXTWGEPZSA-N 0 0 377.271 4.224 40 0 GIABRN Cc1cccc(C)c1N1C[C@H](C(=O)Oc2ccc(Br)cc2)CC1=O ZINC000007929435 817962900 /nfs/dbraw/zinc/96/29/00/817962900.db2.gz UXQWSNZCZQVWAT-CQSZACIVSA-N 0 0 388.261 4.024 40 0 GIABRN COc1ccccc1O[C@H](C)C(=O)NCCSCc1c(F)cccc1Cl ZINC000008041766 817988488 /nfs/dbraw/zinc/98/84/88/817988488.db2.gz IREWULCBTBGYJJ-CYBMUJFWSA-N 0 0 397.899 4.305 40 0 GIABRN CCc1ccc(NC(=O)Cn2nc(COc3ccc(C)cc3)oc2=S)cc1 ZINC000008086204 817997165 /nfs/dbraw/zinc/99/71/65/817997165.db2.gz JYEJQOOFFSZPGL-UHFFFAOYSA-N 0 0 383.473 4.294 40 0 GIABRN COc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3cccs3)cc2)cc1 ZINC000008116977 818002915 /nfs/dbraw/zinc/00/29/15/818002915.db2.gz NSCHXXWMMSOWGJ-UHFFFAOYSA-N 0 0 395.436 4.049 40 0 GIABRN CO[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)C1 ZINC000019214349 818588205 /nfs/dbraw/zinc/58/82/05/818588205.db2.gz IGHCJAUUJDLUCZ-YFVAEKQCSA-N 0 0 381.520 4.188 40 0 GIABRN COc1ccc(Cc2ccc([C@H]3CN(Cc4ccc(F)cc4)CCO3)nc2)cc1 ZINC000019693015 818599320 /nfs/dbraw/zinc/59/93/20/818599320.db2.gz SITRPAQGEUKAIW-XMMPIXPASA-N 0 0 392.474 4.394 40 0 GIABRN Cc1cc(N2CCO[C@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)nc(C)n1 ZINC000019692615 818599342 /nfs/dbraw/zinc/59/93/42/818599342.db2.gz INVHHWKZTNFMCU-FQEVSTJZSA-N 0 0 380.879 4.387 40 0 GIABRN COc1cccc(CN2CCO[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)c1 ZINC000019692876 818599576 /nfs/dbraw/zinc/59/95/76/818599576.db2.gz STITWENQCRBODL-XMMPIXPASA-N 0 0 392.474 4.394 40 0 GIABRN Cc1nn(Cc2cccc3ccccc32)c(C)c1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O ZINC000020606152 818627276 /nfs/dbraw/zinc/62/72/76/818627276.db2.gz VJIGQRABEQJKCK-UDKICSLYSA-N 0 0 397.478 4.013 40 0 GIABRN Cc1ccc(NC(=O)CSc2n[nH]c(COc3ccc(Cl)cc3)n2)cc1 ZINC000021112464 818654755 /nfs/dbraw/zinc/65/47/55/818654755.db2.gz YSCWWAHQPUDEMT-UHFFFAOYSA-N 0 0 388.880 4.076 40 0 GIABRN C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC ZINC000023163410 818905177 /nfs/dbraw/zinc/90/51/77/818905177.db2.gz MCAVVQQFZATXTD-LFIBNONCSA-N 0 0 380.831 4.296 40 0 GIABRN O=C1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000028478270 820338792 /nfs/dbraw/zinc/33/87/92/820338792.db2.gz MABHMOXKRMWJGK-UHFFFAOYSA-N 0 0 384.831 4.431 40 0 GIABRN O=C(c1ccc(-c2ccccc2Cl)o1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000033578721 821057806 /nfs/dbraw/zinc/05/78/06/821057806.db2.gz PFSOCEAHSVYFHK-LSDHHAIUSA-N 0 0 394.858 4.021 40 0 GIABRN CC(C)c1ccc(OCc2nnc(SCC(=O)c3ccccc3)n2C)cc1 ZINC000033739837 821060067 /nfs/dbraw/zinc/06/00/67/821060067.db2.gz ZFFZFEKETKPYEN-UHFFFAOYSA-N 0 0 381.501 4.493 40 0 GIABRN O=C(CN1C(=O)SC(=Cc2ccccc2F)C1=O)c1ccc(Cl)cc1 ZINC000038424458 821095779 /nfs/dbraw/zinc/09/57/79/821095779.db2.gz MKFVGFIQTGTXCW-CXUHLZMHSA-N 0 0 375.808 4.398 40 0 GIABRN Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)c1 ZINC000219075888 222591721 /nfs/dbraw/zinc/59/17/21/222591721.db2.gz GMIYKYDNMLFLKH-AWEZNQCLSA-N 0 0 385.851 4.091 40 0 GIABRN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(N3CCCC3=O)cc1)CC(C)(C)O2 ZINC000219204345 222592967 /nfs/dbraw/zinc/59/29/67/222592967.db2.gz LMBLBHIMGOTXCZ-IBGZPJMESA-N 0 0 378.472 4.154 40 0 GIABRN O=C(NCCSCc1cccc(Cl)c1)c1ccc(N2CCCC2=O)cc1 ZINC000219197959 222593771 /nfs/dbraw/zinc/59/37/71/222593771.db2.gz NIQSKFKHKKFDBG-UHFFFAOYSA-N 0 0 388.920 4.130 40 0 GIABRN COc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc(OC)c(OC)c1)CC(C)(C)O2 ZINC000219281975 222593824 /nfs/dbraw/zinc/59/38/24/222593824.db2.gz AIMMICCHNPZGGV-SFHVURJKSA-N 0 0 399.487 4.064 40 0 GIABRN COCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000008105447 230860329 /nfs/dbraw/zinc/86/03/29/230860329.db2.gz WAJIFFDUXWHBHK-VQHVLOKHSA-N 0 0 393.270 4.022 40 0 GIABRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2c(Cl)cccc2Cl)C1=O ZINC000409209514 529375911 /nfs/dbraw/zinc/37/59/11/529375911.db2.gz CBZZVDBOAZPFLE-MRACZJACSA-N 0 0 388.272 4.371 40 0 GIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccnc2)c1C ZINC000222864242 222616580 /nfs/dbraw/zinc/61/65/80/222616580.db2.gz DNDHOXDIPPNZAJ-LEWJYISDSA-N 0 0 391.544 4.267 40 0 GIABRN COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 ZINC000222850150 222617044 /nfs/dbraw/zinc/61/70/44/222617044.db2.gz GIFWCCMLJPAWTM-GJZGRUSLSA-N 0 0 377.868 4.008 40 0 GIABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3Cl)o2)cc1 ZINC000097074692 231002164 /nfs/dbraw/zinc/00/21/64/231002164.db2.gz YGADCPYVGXHLOO-UHFFFAOYSA-N 0 0 389.864 4.341 40 0 GIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000222890114 222617840 /nfs/dbraw/zinc/61/78/40/222617840.db2.gz HOQIFTHNJVREDQ-RBUKOAKNSA-N 0 0 397.935 4.303 40 0 GIABRN Cc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000408555581 231059301 /nfs/dbraw/zinc/05/93/01/231059301.db2.gz GJTPWLALDFMSFW-UHFFFAOYSA-N 0 0 386.517 4.120 40 0 GIABRN Fc1ccc(Nc2cc(Cl)nc(-c3ccncc3)n2)c(Br)c1 ZINC000329063306 231047802 /nfs/dbraw/zinc/04/78/02/231047802.db2.gz XCCWJYCXZBJFND-UHFFFAOYSA-N 0 0 379.620 4.259 40 0 GIABRN Cn1c2ccc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)cc2n(C)c1=O ZINC000408563063 231063255 /nfs/dbraw/zinc/06/32/55/231063255.db2.gz IGHZPKXPAAPSIF-HMMYKYKNSA-N 0 0 383.451 4.056 40 0 GIABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 ZINC000408583555 231066292 /nfs/dbraw/zinc/06/62/92/231066292.db2.gz IHHOVZLQONVJCW-UHFFFAOYSA-N 0 0 394.924 4.143 40 0 GIABRN Cc1csc2[nH]c(SCC(=O)Nc3ccc(Cl)cc3C)nc(=O)c12 ZINC000408595604 231072911 /nfs/dbraw/zinc/07/29/11/231072911.db2.gz KGULVUCETQTSPQ-UHFFFAOYSA-N 0 0 379.894 4.398 40 0 GIABRN O=C(c1ccc(Cl)cc1)N(Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408677969 231093355 /nfs/dbraw/zinc/09/33/55/231093355.db2.gz CHXSSEXVRJCHLO-KDURUIRLSA-N 0 0 396.874 4.073 40 0 GIABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1C ZINC000408681778 231094452 /nfs/dbraw/zinc/09/44/52/231094452.db2.gz STJXDUNGEXYZCY-GOSISDBHSA-N 0 0 380.488 4.336 40 0 GIABRN O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000408706781 231100199 /nfs/dbraw/zinc/10/01/99/231100199.db2.gz DOCNDCOHXYJUHN-QFIPXVFZSA-N 0 0 398.506 4.378 40 0 GIABRN C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccccc1 ZINC000408707931 231100638 /nfs/dbraw/zinc/10/06/38/231100638.db2.gz MRIDIMUDIMYUOE-UKRRQHHQSA-N 0 0 391.298 4.266 40 0 GIABRN Cc1nc2ccc(NC(=S)Nc3ccc(N4CCOCC4)cc3)cc2s1 ZINC000408978559 231140941 /nfs/dbraw/zinc/14/09/41/231140941.db2.gz MTJOQODBIRCCLX-UHFFFAOYSA-N 0 0 384.530 4.250 40 0 GIABRN COCCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)cc2)C1=O ZINC000409128906 231168338 /nfs/dbraw/zinc/16/83/38/231168338.db2.gz SVMOWSYSYAPNAF-CPNJWEJPSA-N 0 0 383.469 4.257 40 0 GIABRN Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)s1 ZINC000409152281 231171711 /nfs/dbraw/zinc/17/17/11/231171711.db2.gz IUZRVTLQYZGLSD-OQLLNIDSSA-N 0 0 386.498 4.348 40 0 GIABRN CCn1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1C ZINC000409099913 231160035 /nfs/dbraw/zinc/16/00/35/231160035.db2.gz RMHLVKAUKFWJNE-WQRHYEAKSA-N 0 0 397.500 4.108 40 0 GIABRN Cn1cccc1/C=C1\SC(=O)N(Cc2ccc(Br)cc2)C1=O ZINC000409101346 231160782 /nfs/dbraw/zinc/16/07/82/231160782.db2.gz XVVWHNUSZGFEOA-ZROIWOOFSA-N 0 0 377.263 4.024 40 0 GIABRN O=C1NC(=Cc2ccc(Br)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000409106558 231161310 /nfs/dbraw/zinc/16/13/10/231161310.db2.gz OACCMNAJPPQAFW-RIYZIHGNSA-N 0 0 377.625 4.200 40 0 GIABRN O=C1NC(=Cc2ccc(N3CCCCCC3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409104142 231161854 /nfs/dbraw/zinc/16/18/54/231161854.db2.gz FBQZPOZVTOMDFO-GHRIWEEISA-N 0 0 385.851 4.411 40 0 GIABRN CCc1s/c(=N\C(=O)c2ccc(OC)cc2)n(C)c1-c1ccc(OC)cc1 ZINC000409195233 231177570 /nfs/dbraw/zinc/17/75/70/231177570.db2.gz GNRNJLVDZJRKIF-DQRAZIAOSA-N 0 0 382.485 4.074 40 0 GIABRN Cc1ccc(NC(=O)COc2ccc(C(=S)N3CCCCC3)cc2)cc1C ZINC000409234583 231183939 /nfs/dbraw/zinc/18/39/39/231183939.db2.gz LRHIVSTVEFPWMF-UHFFFAOYSA-N 0 0 382.529 4.482 40 0 GIABRN Cc1ccccc1NC(=O)CSc1nnc(COc2c(C)cccc2C)n1C ZINC000409327343 231189632 /nfs/dbraw/zinc/18/96/32/231189632.db2.gz JELZXWBKQDDLNU-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN CCn1c(SCc2ccc(F)cc2)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000409339271 231191660 /nfs/dbraw/zinc/19/16/60/231191660.db2.gz GNVXMMIKOKLMDO-AWEZNQCLSA-N 0 0 384.480 4.220 40 0 GIABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 ZINC000222958388 222621168 /nfs/dbraw/zinc/62/11/68/222621168.db2.gz BIJZHWKTKRFMJG-PMACEKPBSA-N 0 0 380.517 4.297 40 0 GIABRN Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 ZINC000409410233 231201874 /nfs/dbraw/zinc/20/18/74/231201874.db2.gz LQFCVESELNYJIB-HNNXBMFYSA-N 0 0 394.924 4.058 40 0 GIABRN CCc1ccccc1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC[C@H](C)C[C@H]2C1=O ZINC000408668063 529600571 /nfs/dbraw/zinc/60/05/71/529600571.db2.gz CIVSYQVFYIXPIB-KVSKMBFKSA-N 0 0 390.483 4.427 40 0 GIABRN CCc1ccc(C2=NN(C(=O)CCc3ccccc3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000409101726 529617824 /nfs/dbraw/zinc/61/78/24/529617824.db2.gz QTFMGEHKALXTEC-FQEVSTJZSA-N 0 0 390.405 4.069 40 0 GIABRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)C(C)C)ccc3O)nc2c1 ZINC000408628003 529731983 /nfs/dbraw/zinc/73/19/83/529731983.db2.gz PGKBOYYQHFNSOS-UHFFFAOYSA-N 0 0 383.473 4.232 40 0 GIABRN CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCC ZINC000223548894 222634989 /nfs/dbraw/zinc/63/49/89/222634989.db2.gz KEARGLHGKXLLQG-HSZRJFAPSA-N 0 0 396.531 4.482 40 0 GIABRN Fc1ccc(Nc2cc(C(F)(F)F)nc(NC3CCCCC3)n2)c(F)c1F ZINC000329002199 203768777 /nfs/dbraw/zinc/76/87/77/203768777.db2.gz KGNRXXLVAWSUAK-UHFFFAOYSA-N 0 0 390.331 4.245 40 0 GIABRN Cc1cc(Nc2cc(C(F)(F)F)nc(N[C@H](CO)C(C)C)n2)ccc1Cl ZINC000328997980 203769423 /nfs/dbraw/zinc/76/94/23/203769423.db2.gz JRAFNKWCPMZLFM-CYBMUJFWSA-N 0 0 388.821 4.052 40 0 GIABRN Cc1cccc(Cl)c1Nc1cc(-c2cccnc2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329033232 203770897 /nfs/dbraw/zinc/77/08/97/203770897.db2.gz QRTJMNNWINZMPM-SFHVURJKSA-N 0 0 397.910 4.095 40 0 GIABRN Fc1ccc(F)c(Nc2cc(C(F)(F)F)nc(NC3CCCCC3)n2)c1F ZINC000329057172 203772021 /nfs/dbraw/zinc/77/20/21/203772021.db2.gz VVFDXAMHBBJDJH-UHFFFAOYSA-N 0 0 390.331 4.245 40 0 GIABRN CC(=O)Nc1cc(Br)cc2c1-c1ccc(Br)cc1C2=O ZINC000001580952 203914394 /nfs/dbraw/zinc/91/43/94/203914394.db2.gz JNUNLJHLUCBTPO-UHFFFAOYSA-N 0 0 395.050 4.381 40 0 GIABRN O=C(N[C@H]1CC(c2ccccc2)(c2ccccc2)OC1=O)OCc1ccccc1 ZINC000002024341 203924508 /nfs/dbraw/zinc/92/45/08/203924508.db2.gz ZEVQPWWNUFPVMD-NRFANRHFSA-N 0 0 387.435 4.172 40 0 GIABRN O=C(c1ccco1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc2c(c1)OCO2 ZINC000004360808 204041201 /nfs/dbraw/zinc/04/12/01/204041201.db2.gz GGAATWIJQNYUBI-JOCHJYFZSA-N 0 0 386.407 4.278 40 0 GIABRN CC(C)N(C(=O)CSc1nnc(-c2ccc(F)cc2)n1C)c1ccccc1 ZINC000003520164 204011480 /nfs/dbraw/zinc/01/14/80/204011480.db2.gz OGLBMUAMOINSAC-UHFFFAOYSA-N 0 0 384.480 4.155 40 0 GIABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)ccc1C ZINC000004809213 204076657 /nfs/dbraw/zinc/07/66/57/204076657.db2.gz UBRCUWCTWKSDST-SQGPQFPESA-N 0 0 398.528 4.023 40 0 GIABRN COc1cc(Br)cc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1ccccc1 ZINC000004852909 204083077 /nfs/dbraw/zinc/08/30/77/204083077.db2.gz FZUBZHRGWQPSQP-KSSFIOAISA-N 0 0 389.249 4.227 40 0 GIABRN COCCNC(=O)c1ccc2c(c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 ZINC000004537973 204050913 /nfs/dbraw/zinc/05/09/13/204050913.db2.gz QKQXPSNMZNSRTM-BSXOAJBOSA-N 0 0 376.500 4.359 40 0 GIABRN Cc1ccccc1N1C(=O)S[C@H](Nc2ccc(Br)cc2)C1=O ZINC000005234222 204120740 /nfs/dbraw/zinc/12/07/40/204120740.db2.gz ACGGHWGTVJPPRV-AWEZNQCLSA-N 0 0 377.263 4.396 40 0 GIABRN COc1ccccc1[C@H]1c2cc3c(cc2O[C@@](C)(N2CCCC2)[C@H]1C)OCO3 ZINC000005765759 204149757 /nfs/dbraw/zinc/14/97/57/204149757.db2.gz FAZGJJUOWJTADB-UQDCGMOVSA-N 0 0 381.472 4.396 40 0 GIABRN Cc1cc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)no1 ZINC000035289681 204149877 /nfs/dbraw/zinc/14/98/77/204149877.db2.gz DDCDIJZXVYGZPT-UHFFFAOYSA-N 0 0 396.447 4.251 40 0 GIABRN COc1ccccc1[C@@H]1c2cc3c(cc2O[C@@](C)(N2CCCC2)[C@H]1C)OCO3 ZINC000005765757 204150055 /nfs/dbraw/zinc/15/00/55/204150055.db2.gz FAZGJJUOWJTADB-WADWEFIESA-N 0 0 381.472 4.396 40 0 GIABRN Cc1cccc(C(=O)N(Cc2cccs2)Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000035291169 204154034 /nfs/dbraw/zinc/15/40/34/204154034.db2.gz SEOFYJSRPKIVGB-UHFFFAOYSA-N 0 0 389.480 4.136 40 0 GIABRN COc1ccccc1NC(=O)N1CCC(C(=O)Nc2cccc(C)c2C)CC1 ZINC000035291416 204155231 /nfs/dbraw/zinc/15/52/31/204155231.db2.gz WZYFSKHSAJPSSN-UHFFFAOYSA-N 0 0 381.476 4.195 40 0 GIABRN O=C(NC1CCN(C(=S)Nc2ccccc2Cl)CC1)c1cccc(F)c1 ZINC000035291799 204156085 /nfs/dbraw/zinc/15/60/85/204156085.db2.gz HFDLSFUOIQULLF-UHFFFAOYSA-N 0 0 391.899 4.070 40 0 GIABRN Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)Nc1cccc(F)c1 ZINC000035291889 204156798 /nfs/dbraw/zinc/15/67/98/204156798.db2.gz RCGUGAPXAAFGFK-IHWFROFDSA-N 0 0 395.478 4.482 40 0 GIABRN CCCc1nc2ccccc2c(SCC(=O)Nc2cccc(NC(C)=O)c2)n1 ZINC000035292069 204157695 /nfs/dbraw/zinc/15/76/95/204157695.db2.gz PLQLWSSRTMKQRO-UHFFFAOYSA-N 0 0 394.500 4.272 40 0 GIABRN Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)Nc1ccc(F)cc1 ZINC000035291892 204157826 /nfs/dbraw/zinc/15/78/26/204157826.db2.gz UBXGQICGPOXIGT-IHWFROFDSA-N 0 0 395.478 4.482 40 0 GIABRN CCOc1ccccc1N(CC(=O)c1ccc(OC)cc1)C1=NCCCS1 ZINC000005949583 204158820 /nfs/dbraw/zinc/15/88/20/204158820.db2.gz YPOVBYLZADSYIQ-UHFFFAOYSA-N 0 0 384.501 4.276 40 0 GIABRN CCOC(=O)C1=C(C)N(Cc2ccccc2)C(C)=C2C(=O)Oc3ccccc3[C@@H]12 ZINC000006154374 204167754 /nfs/dbraw/zinc/16/77/54/204167754.db2.gz YYQKMVZBKWGSPS-QFIPXVFZSA-N 0 0 389.451 4.316 40 0 GIABRN CC(=O)c1ccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000035314996 204169067 /nfs/dbraw/zinc/16/90/67/204169067.db2.gz HETKKDLJFYUHOT-UHFFFAOYSA-N 0 0 379.485 4.354 40 0 GIABRN COc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1 ZINC000005598826 204141584 /nfs/dbraw/zinc/14/15/84/204141584.db2.gz RCHMJKJNMZTRFP-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN COc1ccc(Cn2c3nnc(-c4ccc(C)cc4)n3c3ccccc3c2=O)cc1 ZINC000006781229 204205109 /nfs/dbraw/zinc/20/51/09/204205109.db2.gz GTSWVMDGLMSLLP-UHFFFAOYSA-N 0 0 396.450 4.077 40 0 GIABRN Cc1cc2oc(=O)cc(C)c2cc1OCC(=O)c1ccc(Br)cc1 ZINC000006796964 204207171 /nfs/dbraw/zinc/20/71/71/204207171.db2.gz FQBUSCDTIOXEHF-UHFFFAOYSA-N 0 0 387.229 4.434 40 0 GIABRN O=C(COc1ccc(Cl)cc1Br)Nc1ccc(F)c(F)c1 ZINC000006377686 204175890 /nfs/dbraw/zinc/17/58/90/204175890.db2.gz BUQZVWZRUJCKEU-UHFFFAOYSA-N 0 0 376.584 4.398 40 0 GIABRN CCCOc1ccc(C(=O)Nc2ncc(I)cc2C)cc1 ZINC000006517385 204182429 /nfs/dbraw/zinc/18/24/29/204182429.db2.gz UDOBRANQSKJURG-UHFFFAOYSA-N 0 0 396.228 4.036 40 0 GIABRN Cc1cc(I)cnc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000006572482 204184418 /nfs/dbraw/zinc/18/44/18/204184418.db2.gz FHCPEVIAVUAOCG-UHFFFAOYSA-N 0 0 396.228 4.034 40 0 GIABRN CCCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1 ZINC000006569864 204184836 /nfs/dbraw/zinc/18/48/36/204184836.db2.gz MHVBZXMFRFQFNH-UHFFFAOYSA-N 0 0 383.517 4.202 40 0 GIABRN Cc1cc(I)cnc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000006572461 204185390 /nfs/dbraw/zinc/18/53/90/204185390.db2.gz FLXAXUAVQWBERQ-QPJJXVBHSA-N 0 0 398.631 4.300 40 0 GIABRN COc1ccc(CCNC(=S)Nc2ccc(C(F)(F)F)cc2)cc1OC ZINC000006953836 204227223 /nfs/dbraw/zinc/22/72/23/204227223.db2.gz SNPBYTJFHGMVGV-UHFFFAOYSA-N 0 0 384.423 4.252 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000007609452 204244057 /nfs/dbraw/zinc/24/40/57/204244057.db2.gz JAAKAKOTKDRLSP-UHFFFAOYSA-N 0 0 380.469 4.072 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc(Cl)c1 ZINC000007652714 204245118 /nfs/dbraw/zinc/24/51/18/204245118.db2.gz LIKAFBMLTKJXRK-UHFFFAOYSA-N 0 0 392.908 4.075 40 0 GIABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000007651689 204245515 /nfs/dbraw/zinc/24/55/15/204245515.db2.gz MPISIEPBLMZHEQ-UHFFFAOYSA-N 0 0 399.299 4.030 40 0 GIABRN Cc1ccc(C(C)C)c(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000007952041 204255164 /nfs/dbraw/zinc/25/51/64/204255164.db2.gz NQJLLUGQDKHULM-UHFFFAOYSA-N 0 0 386.923 4.499 40 0 GIABRN Cc1ccc(C(SC[C@H]([NH3+])C(=O)[O-])(c2ccccc2)c2ccccc2)cc1 ZINC000008637975 204282057 /nfs/dbraw/zinc/28/20/57/204282057.db2.gz ZPXQDWLBSHVOEI-NRFANRHFSA-N 0 0 377.509 4.432 40 0 GIABRN Cc1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1 ZINC000008180698 204263996 /nfs/dbraw/zinc/26/39/96/204263996.db2.gz DVSOZNXZNVXQNS-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000008168555 204264626 /nfs/dbraw/zinc/26/46/26/204264626.db2.gz KSGQLCKNEOXKET-UHFFFAOYSA-N 0 0 385.272 4.137 40 0 GIABRN COc1ccc(OC)c([C@H](C)NC(=O)CSCc2cccc(Cl)c2)c1 ZINC000008355870 204274357 /nfs/dbraw/zinc/27/43/57/204274357.db2.gz UABFENDHCOTFCA-ZDUSSCGKSA-N 0 0 379.909 4.468 40 0 GIABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)cc1C ZINC000008412694 204277068 /nfs/dbraw/zinc/27/70/68/204277068.db2.gz VTZMWQJVSKARJC-UHFFFAOYSA-N 0 0 380.469 4.183 40 0 GIABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1 ZINC000008556645 204279000 /nfs/dbraw/zinc/27/90/00/204279000.db2.gz NSQIIJPUXTWAIV-UHFFFAOYSA-N 0 0 376.456 4.386 40 0 GIABRN Cc1ccccc1OCc1nnc(SCC(=O)Nc2cccc(Cl)c2)o1 ZINC000009198527 204302257 /nfs/dbraw/zinc/30/22/57/204302257.db2.gz ZGUDRSQHVBEAMC-UHFFFAOYSA-N 0 0 389.864 4.341 40 0 GIABRN O=C(Nc1ccccc1F)N1CCC(c2ncncc2-c2ccncc2)CC1 ZINC000012088659 204371162 /nfs/dbraw/zinc/37/11/62/204371162.db2.gz YLWUWCLLACIBEZ-UHFFFAOYSA-N 0 0 377.423 4.089 40 0 GIABRN CCn1c2ccccc2nc1N1CCC(C(=O)N[C@@H]2CCc3ccccc32)CC1 ZINC000012116396 204372507 /nfs/dbraw/zinc/37/25/07/204372507.db2.gz YBKOOVWRTBYIKD-HXUWFJFHSA-N 0 0 388.515 4.076 40 0 GIABRN Cc1cc(-c2cncnc2-c2ccc(CNC(=O)C3CCCCC3)cc2)on1 ZINC000012158854 204376679 /nfs/dbraw/zinc/37/66/79/204376679.db2.gz BVMZNFJZCIINFC-UHFFFAOYSA-N 0 0 376.460 4.304 40 0 GIABRN CCn1cc(CC(=O)N[C@@H](C)c2nc(-c3ccccc3C)no2)c2ccccc21 ZINC000012148616 204376951 /nfs/dbraw/zinc/37/69/51/204376951.db2.gz VCRFQFSQCBCYJG-INIZCTEOSA-N 0 0 388.471 4.440 40 0 GIABRN CNc1ncccc1CN1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000012326634 204399553 /nfs/dbraw/zinc/39/95/53/204399553.db2.gz STMHFWZUDNLKOC-QHCPKHFHSA-N 0 0 389.499 4.288 40 0 GIABRN Cc1cc2nc(CCC(=O)N3CCC(OCc4ccccc4)CC3)[nH]c2cc1C ZINC000012206080 204382835 /nfs/dbraw/zinc/38/28/35/204382835.db2.gz OMZGKKVRWLIOON-UHFFFAOYSA-N 0 0 391.515 4.320 40 0 GIABRN CC(C)C(=O)N1CCCc2cc(-c3csc(NC(=O)C4CCC4)n3)ccc21 ZINC000012220051 204384143 /nfs/dbraw/zinc/38/41/43/204384143.db2.gz LWBUPWCPMWRKIE-UHFFFAOYSA-N 0 0 383.517 4.484 40 0 GIABRN COc1ccc(C)cc1NC(=O)CCn1c(-c2ccncc2)cc2cccnc21 ZINC000012223124 204385368 /nfs/dbraw/zinc/38/53/68/204385368.db2.gz PIDJWYBRDCOVIA-UHFFFAOYSA-N 0 0 386.455 4.444 40 0 GIABRN Cc1noc(C)c1C(=O)NCc1ccc(-c2nc(C)ncc2-c2ccncc2)cc1 ZINC000012222755 204385669 /nfs/dbraw/zinc/38/56/69/204385669.db2.gz GXWVJABBDAXJSI-UHFFFAOYSA-N 0 0 399.454 4.049 40 0 GIABRN COCCNC(=O)C1(Cc2ccccc2-c2ccc(C)cc2C)CCOCC1 ZINC000012231573 204386460 /nfs/dbraw/zinc/38/64/60/204386460.db2.gz MQTLSASLKRBAJM-UHFFFAOYSA-N 0 0 381.516 4.072 40 0 GIABRN Cc1cnc(-c2nc(C3CCN(Cc4c(F)cccc4Cl)CC3)no2)cn1 ZINC000012337368 204398818 /nfs/dbraw/zinc/39/88/18/204398818.db2.gz LJNPWCJCZUUTRF-UHFFFAOYSA-N 0 0 387.846 4.007 40 0 GIABRN C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@H]3CC=CCC3)cc2N1 ZINC000012337973 204398957 /nfs/dbraw/zinc/39/89/57/204398957.db2.gz NNLGDQHSYTXUSZ-OCVGTWLNSA-N 0 0 382.430 4.210 40 0 GIABRN Cc1nn(-c2ccc(F)cc2)c2nc3c(cc12)CN(Cc1ccccc1)C(=O)O3 ZINC000012755058 204442006 /nfs/dbraw/zinc/44/20/06/204442006.db2.gz LMKZSDKJCGIFTG-UHFFFAOYSA-N 0 0 388.402 4.383 40 0 GIABRN CCc1ccccc1NC(=O)[C@@H](CC)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714137 204506725 /nfs/dbraw/zinc/50/67/25/204506725.db2.gz IWKUQYQHRLYAAR-GOSISDBHSA-N 0 0 394.924 4.086 40 0 GIABRN COc1ccccc1OCCNC(=O)c1ccccc1OCc1ccccc1 ZINC000018075378 204616055 /nfs/dbraw/zinc/61/60/55/204616055.db2.gz XYIARQQATBBAOR-UHFFFAOYSA-N 0 0 377.440 4.083 40 0 GIABRN FC(F)(F)Oc1ccc(NC=Cc2nnnn2-c2ccc(Cl)cc2)cc1 ZINC000016427853 204594808 /nfs/dbraw/zinc/59/48/08/204594808.db2.gz HZMHKLSBODPVAG-MDZDMXLPSA-N 0 0 381.745 4.297 40 0 GIABRN O=C(C1CC1)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 ZINC000019373060 204640847 /nfs/dbraw/zinc/64/08/47/204640847.db2.gz AWGHXHXCDXIAHJ-IBGZPJMESA-N 0 0 399.498 4.398 40 0 GIABRN COc1ccc(CN2CCCC[C@@H]2c2[nH]ncc2-c2cc(C)no2)c(OC)c1 ZINC000019120919 204626090 /nfs/dbraw/zinc/62/60/90/204626090.db2.gz QGYXYODTHHMKBX-GOSISDBHSA-N 0 0 382.464 4.118 40 0 GIABRN Cc1cc(C)c2c(C3CCN(C(=O)c4ccncc4)CC3)nn(CC(C)C)c2n1 ZINC000019118906 204626507 /nfs/dbraw/zinc/62/65/07/204626507.db2.gz UFOBMSWGLGHOFZ-UHFFFAOYSA-N 0 0 391.519 4.119 40 0 GIABRN Cc1ccc([C@@H](NC(=O)Cc2ccc3c(c2)C[C@@H](C)O3)c2ccncc2)cc1C ZINC000019213556 204629367 /nfs/dbraw/zinc/62/93/67/204629367.db2.gz CQXPBJNPMFMKOY-CJAUYULYSA-N 0 0 386.495 4.470 40 0 GIABRN Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)[C@@H](C)Cc3cccs3)CC1)O2 ZINC000019218099 204632354 /nfs/dbraw/zinc/63/23/54/204632354.db2.gz DLRQUTVKQPKDHH-INIZCTEOSA-N 0 0 383.513 4.262 40 0 GIABRN Cc1cccnc1CN(Cc1ccccc1)C(=O)c1ccnc(N2CCCC2)c1 ZINC000019237778 204632764 /nfs/dbraw/zinc/63/27/64/204632764.db2.gz LCPKOTZVWCPQDF-UHFFFAOYSA-N 0 0 386.499 4.228 40 0 GIABRN NC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)CC2CCCC2)C1 ZINC000019331635 204636597 /nfs/dbraw/zinc/63/65/97/204636597.db2.gz AFYKZYUCFBVGDY-QHCPKHFHSA-N 0 0 396.556 4.242 40 0 GIABRN Cc1c(NC(=O)c2cc(-c3cccc(F)c3)no2)cccc1C(=O)N1CCCC1 ZINC000019718170 204677310 /nfs/dbraw/zinc/67/73/10/204677310.db2.gz QASSPHHBTLHSBI-UHFFFAOYSA-N 0 0 393.418 4.277 40 0 GIABRN CCn1cc(CC(=O)N2CCC[C@@](O)(c3ccc(F)cc3)CC2)c2ccccc21 ZINC000019524783 204651117 /nfs/dbraw/zinc/65/11/17/204651117.db2.gz WARCCNCIZDEOJU-DEOSSOPVSA-N 0 0 394.490 4.243 40 0 GIABRN Cc1noc(-c2cnn(C)c2[C@@H]2CCCCN2C(=O)Cc2ccccc2F)c1C ZINC000019558710 204655703 /nfs/dbraw/zinc/65/57/03/204655703.db2.gz IZXJQILCIQQSDX-IBGZPJMESA-N 0 0 396.466 4.127 40 0 GIABRN Cc1nc([C@H](Cc2ccsc2)NC(=O)c2cc(C3CC3)nn2C)sc1C ZINC000019559804 204655716 /nfs/dbraw/zinc/65/57/16/204655716.db2.gz VNTSTFQVNJMQRX-INIZCTEOSA-N 0 0 386.546 4.146 40 0 GIABRN Cc1ccccc1O[C@@H](C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020044197 204699640 /nfs/dbraw/zinc/69/96/40/204699640.db2.gz VCNCXSCXUKELCW-INIZCTEOSA-N 0 0 392.421 4.130 40 0 GIABRN COc1ccccc1[C@H]1CC(=O)c2cn3nc(-c4ccc(C)cc4)nc3nc2C1 ZINC000020796516 204740291 /nfs/dbraw/zinc/74/02/91/204740291.db2.gz AHENRVNMRSKMBE-MRXNPFEDSA-N 0 0 384.439 4.021 40 0 GIABRN CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1c(Cl)cccc1Cl)cn2C ZINC000022237211 204778061 /nfs/dbraw/zinc/77/80/61/204778061.db2.gz RFGRGZBQBFJGGL-UHFFFAOYSA-N 0 0 391.254 4.496 40 0 GIABRN CCN(CC)[C@@H]1Oc2cc3c(cc2[C@@H](c2cccc(OC)c2OC)[C@@H]1C)OCO3 ZINC000031861123 204907211 /nfs/dbraw/zinc/90/72/11/204907211.db2.gz XFZQJONSCZRGGL-NNIZRDCOSA-N 0 0 399.487 4.261 40 0 GIABRN CCCCc1ccc2[nH]c(=NC(=S)NC(=O)c3ccc(C)cc3)sc2c1 ZINC000032119189 204911008 /nfs/dbraw/zinc/91/10/08/204911008.db2.gz OUXDQXJLWDJLDT-UHFFFAOYSA-N 0 0 383.542 4.496 40 0 GIABRN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN1C(=O)Nc1ccc(C)cc1 ZINC000035311698 204984333 /nfs/dbraw/zinc/98/43/33/204984333.db2.gz ISJFBCAKJZSSJJ-QGZVFWFLSA-N 0 0 387.867 4.292 40 0 GIABRN Cc1ccc(-c2nc(N3CCCCC3)sc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000036293488 205011326 /nfs/dbraw/zinc/01/13/26/205011326.db2.gz XDJBUQDUZJNVIN-KRWDZBQOSA-N 0 0 385.533 4.018 40 0 GIABRN Cc1ccc(-c2nc(N3CCOCC3)sc2C(=O)NC2CCCCC2)cc1 ZINC000036293445 205011477 /nfs/dbraw/zinc/01/14/77/205011477.db2.gz BSLQUWFBSUWKQL-UHFFFAOYSA-N 0 0 385.533 4.018 40 0 GIABRN O=C(NCCSCc1ccc(Cl)cc1)c1ccc(Cn2ccnc2)cc1 ZINC000038848562 205040476 /nfs/dbraw/zinc/04/04/76/205040476.db2.gz QEZPOJPPKZWQOY-UHFFFAOYSA-N 0 0 385.920 4.248 40 0 GIABRN CCOc1ccccc1N[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000036635905 205020561 /nfs/dbraw/zinc/02/05/61/205020561.db2.gz ZXBWAPKICPOPHM-HNNXBMFYSA-N 0 0 379.243 4.136 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCC3)ccc2C)c1 ZINC000038752382 205037038 /nfs/dbraw/zinc/03/70/38/205037038.db2.gz BBVVOKIATKKJGY-UHFFFAOYSA-N 0 0 386.517 4.119 40 0 GIABRN Cc1cccc(NC(=O)[C@H](C)Oc2cc(C)c(Br)c(C)c2C)n1 ZINC000038830322 205039153 /nfs/dbraw/zinc/03/91/53/205039153.db2.gz YCVILERQTCBDOA-AWEZNQCLSA-N 0 0 377.282 4.484 40 0 GIABRN CCCCCCn1ccc2nc3nc(C)nn3c(-c3ccc(F)cc3)c2c1=O ZINC000040398541 205064100 /nfs/dbraw/zinc/06/41/00/205064100.db2.gz NAKHTNUYHNSIHA-UHFFFAOYSA-N 0 0 379.439 4.134 40 0 GIABRN O=C(CSCc1ccc(Cl)cc1)NCC1(c2ccccc2)CCOCC1 ZINC000041407960 205078816 /nfs/dbraw/zinc/07/88/16/205078816.db2.gz MVICCNBQMXZOEG-UHFFFAOYSA-N 0 0 389.948 4.438 40 0 GIABRN COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(Cn2ccnc2C)cc1 ZINC000044856266 205088086 /nfs/dbraw/zinc/08/80/86/205088086.db2.gz RMYVLZUCYJWXLW-QFIPXVFZSA-N 0 0 375.472 4.056 40 0 GIABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(-n2ccnc2C)cc1 ZINC000044949609 205090500 /nfs/dbraw/zinc/09/05/00/205090500.db2.gz QEHOARXMAKNOHZ-OAQYLSRUSA-N 0 0 377.488 4.271 40 0 GIABRN COc1ccc2nc(C)c(C(=O)N[C@@H](C)c3ccc(OC)c(OC)c3)cc2c1 ZINC000045386514 205095143 /nfs/dbraw/zinc/09/51/43/205095143.db2.gz QTCBXIVVJVKSND-ZDUSSCGKSA-N 0 0 380.444 4.060 40 0 GIABRN CC(C)c1ccc(OCC(=O)NCCc2ccccc2)c(Br)c1 ZINC000040942877 205075371 /nfs/dbraw/zinc/07/53/71/205075371.db2.gz ZBLVASNVPNNQGF-UHFFFAOYSA-N 0 0 376.294 4.310 40 0 GIABRN O=C(NCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000048652855 205124024 /nfs/dbraw/zinc/12/40/24/205124024.db2.gz GCENGLHWRGJQHP-UHFFFAOYSA-N 0 0 391.176 4.267 40 0 GIABRN O=C(c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)N1CCCCCC1 ZINC000055650931 205150432 /nfs/dbraw/zinc/15/04/32/205150432.db2.gz XYJCEIPWRWEDEZ-UHFFFAOYSA-N 0 0 392.908 4.157 40 0 GIABRN CC(C)(C)CC(C)(C)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000058644891 205176844 /nfs/dbraw/zinc/17/68/44/205176844.db2.gz SIQVVVAENSUCDP-UHFFFAOYSA-N 0 0 388.533 4.432 40 0 GIABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000059351864 205178978 /nfs/dbraw/zinc/17/89/78/205178978.db2.gz UPQMFWBKQGHONP-GUYCJALGSA-N 0 0 377.868 4.392 40 0 GIABRN O=C(CCSc1nnc2c3ccccc3[nH]c2n1)Nc1ccc(Cl)cc1 ZINC000059268690 205179098 /nfs/dbraw/zinc/17/90/98/205179098.db2.gz LGGIKXCERMVYMU-UHFFFAOYSA-N 0 0 383.864 4.280 40 0 GIABRN O=C(Cc1cccc(Br)c1)NCCSCc1ccccc1F ZINC000072063976 205303582 /nfs/dbraw/zinc/30/35/82/205303582.db2.gz GGSKYARYIPSKML-UHFFFAOYSA-N 0 0 382.298 4.180 40 0 GIABRN COc1cc2c(cc1OC)[C@H](c1cc(C)no1)N(C(=O)c1ccc(C)s1)CC2 ZINC000072342726 205329232 /nfs/dbraw/zinc/32/92/32/205329232.db2.gz DUHRZCDOACBEFF-HXUWFJFHSA-N 0 0 398.484 4.158 40 0 GIABRN Cc1cc(C)n(CCC(=O)N2CCCC[C@H]2c2nc3cc(C)c(C)cc3[nH]2)n1 ZINC000072346803 205329310 /nfs/dbraw/zinc/32/93/10/205329310.db2.gz BYJZNWUFCSKINI-FQEVSTJZSA-N 0 0 379.508 4.137 40 0 GIABRN O=C(Cc1ccccn1)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072349461 205330137 /nfs/dbraw/zinc/33/01/37/205330137.db2.gz HVUOOIKRJBCHKA-GOSISDBHSA-N 0 0 375.447 4.231 40 0 GIABRN CC(=O)Nc1cccc(-c2cccc([C@@H]3CCCN(C(=O)C4CCC4)C3)n2)c1 ZINC000072349331 205330283 /nfs/dbraw/zinc/33/02/83/205330283.db2.gz MFYHZLYBHWWTAI-LJQANCHMSA-N 0 0 377.488 4.213 40 0 GIABRN COc1ccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4ccccn4)C3)n2)cc1 ZINC000072349470 205330450 /nfs/dbraw/zinc/33/04/50/205330450.db2.gz WKINWGMGNLUPPE-LJQANCHMSA-N 0 0 387.483 4.101 40 0 GIABRN O=C(Cc1ccccn1)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072349490 205330511 /nfs/dbraw/zinc/33/05/11/205330511.db2.gz QVQNUNGSYBGQPB-LJQANCHMSA-N 0 0 389.474 4.155 40 0 GIABRN CCn1ccnc1CN1CCC[C@H](c2cccc(Cc3ccccc3OC)n2)C1 ZINC000072350298 205330856 /nfs/dbraw/zinc/33/08/56/205330856.db2.gz UCRKDDPHKIJEPC-FQEVSTJZSA-N 0 0 390.531 4.277 40 0 GIABRN Cn1ccnc1C(=O)N1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000072350240 205330898 /nfs/dbraw/zinc/33/08/98/205330898.db2.gz QSWBNJWAAOLTDQ-UHFFFAOYSA-N 0 0 394.906 4.079 40 0 GIABRN O=C(c1cnccn1)N1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072349227 205330947 /nfs/dbraw/zinc/33/09/47/205330947.db2.gz GAUKXOIMPDUKRL-KRWDZBQOSA-N 0 0 392.890 4.136 40 0 GIABRN Cc1cccc(-c2cccc([C@H]3CCCN(CC(=O)Nc4ccccn4)C3)n2)c1 ZINC000072349540 205331050 /nfs/dbraw/zinc/33/10/50/205331050.db2.gz NCQGFYFUAYCHSL-FQEVSTJZSA-N 0 0 386.499 4.270 40 0 GIABRN CCn1ccnc1CN1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072350291 205331333 /nfs/dbraw/zinc/33/13/33/205331333.db2.gz BQMWTLCDQUGFEF-LJQANCHMSA-N 0 0 378.495 4.408 40 0 GIABRN Cc1ncsc1C(=O)N1CCC(c2cccc(Cc3ccccc3)n2)CC1 ZINC000072349842 205331475 /nfs/dbraw/zinc/33/14/75/205331475.db2.gz WFWNHRHHYDGBMN-UHFFFAOYSA-N 0 0 377.513 4.457 40 0 GIABRN COc1cccc(-c2nccc([C@@H]3CCCN3C(=O)c3ccc4[nH]cnc4c3)n2)c1 ZINC000072355864 205332402 /nfs/dbraw/zinc/33/24/02/205332402.db2.gz PQZIJRVWLDCPHM-NRFANRHFSA-N 0 0 399.454 4.006 40 0 GIABRN O=C(CN1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1)N1CCCC1 ZINC000072357652 205332695 /nfs/dbraw/zinc/33/26/95/205332695.db2.gz YNUXBPQMEDDOIS-OAQYLSRUSA-N 0 0 383.923 4.085 40 0 GIABRN Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)c4ccnn4C)C3)c2)c1 ZINC000072354084 205333295 /nfs/dbraw/zinc/33/32/95/205333295.db2.gz YWQLVKXHWIGSBJ-OAQYLSRUSA-N 0 0 388.515 4.043 40 0 GIABRN COc1ccccc1Oc1nccnc1C1CCN(C(=O)c2ccccc2)CC1 ZINC000072361784 205333603 /nfs/dbraw/zinc/33/36/03/205333603.db2.gz LQPZPORWEMZJQQ-UHFFFAOYSA-N 0 0 389.455 4.297 40 0 GIABRN COc1cccc(-c2cncc([C@@H]3CCCN(C(=O)Cc4ccccc4)C3)n2)c1 ZINC000072359446 205333867 /nfs/dbraw/zinc/33/38/67/205333867.db2.gz YBPGRNRZTHAFLI-HXUWFJFHSA-N 0 0 387.483 4.101 40 0 GIABRN Cc1ncsc1C(=O)N1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072359031 205334975 /nfs/dbraw/zinc/33/49/75/205334975.db2.gz AQAZTBWWCPYJDV-HNNXBMFYSA-N 0 0 382.464 4.067 40 0 GIABRN Nc1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2C(=O)c2cccnc2)n1 ZINC000072376953 205337379 /nfs/dbraw/zinc/33/73/79/205337379.db2.gz NWBGYLRZFHJYPH-SFHVURJKSA-N 0 0 393.878 4.142 40 0 GIABRN CC1=C(C)C[C@@H](C(=O)N2CCC(c3ccc(Nc4ncccn4)cn3)CC2)CC1 ZINC000072374363 205338268 /nfs/dbraw/zinc/33/82/68/205338268.db2.gz HYWGORLAADQXKL-IBGZPJMESA-N 0 0 391.519 4.458 40 0 GIABRN Cc1cnc(Nc2cc(C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)ncn2)s1 ZINC000072383460 205339583 /nfs/dbraw/zinc/33/95/83/205339583.db2.gz YIVWNLDQXLWVQQ-CQSZACIVSA-N 0 0 389.525 4.175 40 0 GIABRN Cc1nccn1-c1cccc(C2CCN(C(=O)CCCc3ccccc3)CC2)n1 ZINC000072378993 205339739 /nfs/dbraw/zinc/33/97/39/205339739.db2.gz FMABEVSVXGFPKP-UHFFFAOYSA-N 0 0 388.515 4.305 40 0 GIABRN Cc1cc(Oc2ccc(F)cc2)nc([C@H]2CCCCN2C(=O)C2CCOCC2)n1 ZINC000072384276 205340437 /nfs/dbraw/zinc/34/04/37/205340437.db2.gz PYGRQVQTTRKHCA-LJQANCHMSA-N 0 0 399.466 4.197 40 0 GIABRN C[C@H](Cn1cnc2ccccc21)C(=O)N1CCC[C@@H](COc2ccccc2F)C1 ZINC000072390424 205342248 /nfs/dbraw/zinc/34/22/48/205342248.db2.gz HFOBRZXSJFVXOR-QZTJIDSGSA-N 0 0 395.478 4.129 40 0 GIABRN COc1cccc(C(=O)N2CCC[C@H]2c2ccnc3cc(C(C)(C)C)nn32)c1 ZINC000072391716 205342289 /nfs/dbraw/zinc/34/22/89/205342289.db2.gz KLZPCICREPDDOC-KRWDZBQOSA-N 0 0 378.476 4.013 40 0 GIABRN CC(=O)Nc1cc(Cl)ccc1OS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000072414596 205346488 /nfs/dbraw/zinc/34/64/88/205346488.db2.gz WBSJDKAZHALSHE-UHFFFAOYSA-N 0 0 394.663 4.373 40 0 GIABRN COc1ccccc1OCCCn1c2ccccc2nc1[C@H]1CCCN1C(C)=O ZINC000082086726 205386040 /nfs/dbraw/zinc/38/60/40/205386040.db2.gz ZSRSVTHHCSMGKW-HXUWFJFHSA-N 0 0 393.487 4.197 40 0 GIABRN O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@]2(C[C@H](Oc3ccccc3)CO2)C1 ZINC000096073637 205521769 /nfs/dbraw/zinc/52/17/69/205521769.db2.gz WVPNSFMSDLDCEX-NZQKXSOJSA-N 0 0 376.456 4.011 40 0 GIABRN C[C@H]1CCCN1C(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 ZINC000096146553 205531271 /nfs/dbraw/zinc/53/12/71/205531271.db2.gz HRACUQMWSAQCKL-INIZCTEOSA-N 0 0 399.498 4.410 40 0 GIABRN CN(C)C(=O)C[C@H]1CC2(CCN(C(=O)C3CCCCC3)CC2)c2ccccc21 ZINC000096242070 205548694 /nfs/dbraw/zinc/54/86/94/205548694.db2.gz FVINKBALNRQRIN-IBGZPJMESA-N 0 0 382.548 4.093 40 0 GIABRN C[C@H](Oc1cccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)c1)C(=O)c1ccccc1 ZINC000100838883 205612881 /nfs/dbraw/zinc/61/28/81/205612881.db2.gz VSUVSGHYAZPWNA-LVNJIZSUSA-N 0 0 391.467 4.262 40 0 GIABRN O=C(CSc1nc(COc2ccccc2)nc2ccccc21)NC1CCCC1 ZINC000001356048 205710084 /nfs/dbraw/zinc/71/00/84/205710084.db2.gz YDRJTZIYTGGFBA-UHFFFAOYSA-N 0 0 393.512 4.360 40 0 GIABRN COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N(C(C)C)C(C)C ZINC000001353747 205710482 /nfs/dbraw/zinc/71/04/82/205710482.db2.gz BNYOYGDMTGFDFT-UHFFFAOYSA-N 0 0 399.466 4.003 40 0 GIABRN Cc1ccc(C(=O)CSc2nnc(-c3ccco3)n2C[C@@H]2CCCO2)cc1 ZINC000001364295 205712238 /nfs/dbraw/zinc/71/22/38/205712238.db2.gz KVAIAMNZCWLCRB-INIZCTEOSA-N 0 0 383.473 4.001 40 0 GIABRN COc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000000780467 205695724 /nfs/dbraw/zinc/69/57/24/205695724.db2.gz IECUKMMNEOYYSL-UHFFFAOYSA-N 0 0 386.879 4.148 40 0 GIABRN COc1ccc(-n2c(C)nnc2S[C@H](C)C(=O)Nc2ccc(C)cc2)cc1 ZINC000000872592 205698663 /nfs/dbraw/zinc/69/86/63/205698663.db2.gz WKGVHFOTMGFBJK-CQSZACIVSA-N 0 0 382.489 4.012 40 0 GIABRN CCc1cc2cc3c(cc2nc1SCC(=O)Nc1cccc(F)c1)OCO3 ZINC000004849547 205751936 /nfs/dbraw/zinc/75/19/36/205751936.db2.gz IPMFXAZOMBYRDM-UHFFFAOYSA-N 0 0 384.432 4.396 40 0 GIABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)CC)cc2c1 ZINC000004231116 205740455 /nfs/dbraw/zinc/74/04/55/205740455.db2.gz ZSFAHUNMUQDCEP-UHFFFAOYSA-N 0 0 378.472 4.174 40 0 GIABRN O[C@@H](COc1ccccc1F)Cn1c(Cc2ccccc2)nc2ccccc21 ZINC000006383055 205774581 /nfs/dbraw/zinc/77/45/81/205774581.db2.gz ZHFZAAPQNRULJI-GOSISDBHSA-N 0 0 376.431 4.206 40 0 GIABRN COc1ccc([C@@H]2C[C@@]3(CC(C)(C)NC(=S)N3)Oc3cc(O)cc(C)c32)cc1 ZINC000008686939 205797487 /nfs/dbraw/zinc/79/74/87/205797487.db2.gz YKCPJOFNMLHJSR-JTSKRJEESA-N 0 0 398.528 4.378 40 0 GIABRN Cc1ccc(Cn2c3ccccc3c(=O)n(-c3cccc(Cl)c3)c2=O)cc1 ZINC000010338783 205856458 /nfs/dbraw/zinc/85/64/58/205856458.db2.gz KCUSJITXAZDEPJ-UHFFFAOYSA-N 0 0 376.843 4.163 40 0 GIABRN CCOc1cc(C=O)ccc1OCCCSc1nnc(-c2ccccc2)n1C ZINC000008731716 205824957 /nfs/dbraw/zinc/82/49/57/205824957.db2.gz FYQLBJYORHCNLL-UHFFFAOYSA-N 0 0 397.500 4.255 40 0 GIABRN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 ZINC000216436571 205931403 /nfs/dbraw/zinc/93/14/03/205931403.db2.gz PEOQALAAGAKXLH-LLVKDONJSA-N 0 0 381.881 4.485 40 0 GIABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1nc(-c2ccccc2)no1 ZINC000219341459 205954988 /nfs/dbraw/zinc/95/49/88/205954988.db2.gz XASRQRYQPRQAAM-LJQANCHMSA-N 0 0 387.439 4.364 40 0 GIABRN Cc1cccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1C ZINC000219312056 205955573 /nfs/dbraw/zinc/95/55/73/205955573.db2.gz PXSDPJNCMHLQPU-HNNXBMFYSA-N 0 0 399.878 4.433 40 0 GIABRN CC[C@@H](NC(=O)[C@H](CC)Oc1cccc(OC)c1)c1ccc(OC)c(OC)c1 ZINC000219361443 205956982 /nfs/dbraw/zinc/95/69/82/205956982.db2.gz POFGFFDDLQYOKQ-MOPGFXCFSA-N 0 0 387.476 4.137 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000219366918 205957077 /nfs/dbraw/zinc/95/70/77/205957077.db2.gz RPRYPOCPTWNZOM-LJQANCHMSA-N 0 0 385.504 4.227 40 0 GIABRN C[C@H](Oc1ccc(Br)cc1)C(=O)NCCSC1CCCCC1 ZINC000219676745 205959341 /nfs/dbraw/zinc/95/93/41/205959341.db2.gz SUJGQGRQBVTLTP-ZDUSSCGKSA-N 0 0 386.355 4.399 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc21 ZINC000222393770 205978532 /nfs/dbraw/zinc/97/85/32/205978532.db2.gz AXZXZVGMRXLGOZ-LJQANCHMSA-N 0 0 388.511 4.244 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222747940 205986672 /nfs/dbraw/zinc/98/66/72/205986672.db2.gz YJIRLCPMFCJRJU-FQEVSTJZSA-N 0 0 394.559 4.486 40 0 GIABRN COc1ccc2cc(S(=O)(=O)NCc3cccc4ccccc43)ccc2c1 ZINC000222896727 205989825 /nfs/dbraw/zinc/98/98/25/205989825.db2.gz SMXQQWJQQWAUIL-UHFFFAOYSA-N 0 0 377.465 4.480 40 0 GIABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 ZINC000223069443 205990248 /nfs/dbraw/zinc/99/02/48/205990248.db2.gz PPXRONSWEHAZCE-RTWAWAEBSA-N 0 0 393.512 4.351 40 0 GIABRN CC(C)CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)C(C)C ZINC000223061516 205990910 /nfs/dbraw/zinc/99/09/10/205990910.db2.gz VEGQGUWITPAZKJ-QHCPKHFHSA-N 0 0 394.559 4.445 40 0 GIABRN Cc1ccc(C)c(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223124904 205992168 /nfs/dbraw/zinc/99/21/68/205992168.db2.gz AWFVHOYSVUKNCN-HXUWFJFHSA-N 0 0 394.559 4.220 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(C)c1 ZINC000223102494 205992173 /nfs/dbraw/zinc/99/21/73/205992173.db2.gz IBHCYTFXBWHMKY-OAQYLSRUSA-N 0 0 398.572 4.090 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1cccc(C)c1 ZINC000223141480 205992439 /nfs/dbraw/zinc/99/24/39/205992439.db2.gz ODXSLMQYHVFYFB-QZTJIDSGSA-N 0 0 384.495 4.009 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 ZINC000223149698 205993687 /nfs/dbraw/zinc/99/36/87/205993687.db2.gz WMYJXNIAWOAQRM-GOSISDBHSA-N 0 0 393.314 4.089 40 0 GIABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000222719247 205984501 /nfs/dbraw/zinc/98/45/01/205984501.db2.gz DYUZAYLUXKPBRS-GUYCJALGSA-N 0 0 375.852 4.146 40 0 GIABRN COc1ccc(CNC(=O)CCc2cccc3ccccc32)c(OC)c1OC ZINC000222671176 205985169 /nfs/dbraw/zinc/98/51/69/205985169.db2.gz UTTIRIIBZGXQGE-UHFFFAOYSA-N 0 0 379.456 4.115 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCSCc1ccccc1 ZINC000223672248 206003826 /nfs/dbraw/zinc/00/38/26/206003826.db2.gz RNHVHYMTTGGSNP-LJQANCHMSA-N 0 0 398.572 4.172 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223812831 206005907 /nfs/dbraw/zinc/00/59/07/206005907.db2.gz WKGYWUSXJMENBU-HXUWFJFHSA-N 0 0 392.543 4.322 40 0 GIABRN CCC1(CC)C[C@H](NS(=O)(=O)Cc2ccccc2F)c2ccccc2O1 ZINC000223790980 206005925 /nfs/dbraw/zinc/00/59/25/206005925.db2.gz SJEVIRPISWBHCG-SFHVURJKSA-N 0 0 377.481 4.328 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223814343 206006198 /nfs/dbraw/zinc/00/61/98/206006198.db2.gz WHJWVABBEBTKMV-FQEVSTJZSA-N 0 0 392.543 4.322 40 0 GIABRN CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(OC)cc1 ZINC000223779122 206006306 /nfs/dbraw/zinc/00/63/06/206006306.db2.gz PKDZZOCILVWOSB-UXHICEINSA-N 0 0 378.501 4.089 40 0 GIABRN CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 ZINC000223866153 206007372 /nfs/dbraw/zinc/00/73/72/206007372.db2.gz PBPWTORVMCJVPD-UXHICEINSA-N 0 0 378.501 4.347 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(CC)cc1 ZINC000223880475 206008108 /nfs/dbraw/zinc/00/81/08/206008108.db2.gz GYMYSPMNSYAWTJ-SFHVURJKSA-N 0 0 398.522 4.264 40 0 GIABRN CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 ZINC000223915350 206008976 /nfs/dbraw/zinc/00/89/76/206008976.db2.gz MEGYHEPHLDJPMG-SFTDATJTSA-N 0 0 391.544 4.146 40 0 GIABRN S=C(NC[C@H]1CCCO1)Nc1ccc(Nc2ccc3ccccc3c2)nc1 ZINC000223900146 206009061 /nfs/dbraw/zinc/00/90/61/206009061.db2.gz VRFGVDBTGJXNQY-LJQANCHMSA-N 0 0 378.501 4.444 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 ZINC000223921641 206009392 /nfs/dbraw/zinc/00/93/92/206009392.db2.gz QTGRPJDKJBLPSM-CQSZACIVSA-N 0 0 393.314 4.089 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCCc2ccc(OC(C)C)cc2)cc1C ZINC000223902425 206009499 /nfs/dbraw/zinc/00/94/99/206009499.db2.gz VZLOBTNSSLGCMC-UHFFFAOYSA-N 0 0 391.533 4.010 40 0 GIABRN Cc1cccc(NC(=S)NCC2(c3ccc(Cl)cc3)CCOCC2)n1 ZINC000224015211 206009807 /nfs/dbraw/zinc/00/98/07/206009807.db2.gz AVWZHCNPAFRYLV-UHFFFAOYSA-N 0 0 375.925 4.078 40 0 GIABRN CCC[C@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224031895 206010015 /nfs/dbraw/zinc/01/00/15/206010015.db2.gz UESXTWPAVILVEE-ZDUSSCGKSA-N 0 0 380.897 4.059 40 0 GIABRN Cc1cccc(NC(=S)NCC2(c3cccc(Cl)c3)CCOCC2)n1 ZINC000224020003 206010108 /nfs/dbraw/zinc/01/01/08/206010108.db2.gz SJOBHKMTRFRSAC-UHFFFAOYSA-N 0 0 375.925 4.078 40 0 GIABRN Cc1ccc(C)c(OCCNS(=O)(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000224014133 206010781 /nfs/dbraw/zinc/01/07/81/206010781.db2.gz SGKVASYGLFTTDK-UHFFFAOYSA-N 0 0 388.316 4.109 40 0 GIABRN Cc1ccnc(NC(=S)NCC2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000224015993 206010976 /nfs/dbraw/zinc/01/09/76/206010976.db2.gz TVFVNMHJXMBLQR-UHFFFAOYSA-N 0 0 375.925 4.078 40 0 GIABRN COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1ccccc1 ZINC000224089691 206012294 /nfs/dbraw/zinc/01/22/94/206012294.db2.gz RMQLCQQHLLFCAF-UHFFFAOYSA-N 0 0 390.439 4.485 40 0 GIABRN Cc1ccc(C(=O)NCCC(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000224053509 206012326 /nfs/dbraw/zinc/01/23/26/206012326.db2.gz UMWOELBUXDZIQB-UHFFFAOYSA-N 0 0 394.924 4.225 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccccc1 ZINC000224137228 206012847 /nfs/dbraw/zinc/01/28/47/206012847.db2.gz VZGLBLDRFKVJPO-NRFANRHFSA-N 0 0 398.572 4.172 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1C ZINC000224098607 206012868 /nfs/dbraw/zinc/01/28/68/206012868.db2.gz GEWOOQOJNDSAJL-HXUWFJFHSA-N 0 0 380.532 4.035 40 0 GIABRN Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)c1 ZINC000224129487 206013657 /nfs/dbraw/zinc/01/36/57/206013657.db2.gz YISFQUBEAVLMLO-UHFFFAOYSA-N 0 0 380.469 4.072 40 0 GIABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000224092846 206013812 /nfs/dbraw/zinc/01/38/12/206013812.db2.gz GPQPEZMQJWITLO-CQSZACIVSA-N 0 0 397.500 4.103 40 0 GIABRN O=C(NCCSCc1cccc(Cl)c1)C1(c2ccccc2)CCOCC1 ZINC000224119992 206014136 /nfs/dbraw/zinc/01/41/36/206014136.db2.gz WDRZMAFJSDNWFM-UHFFFAOYSA-N 0 0 389.948 4.438 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccccn2)N1c1ccccc1 ZINC000224153902 206014259 /nfs/dbraw/zinc/01/42/59/206014259.db2.gz GEMMCZOCYCTSJE-VXKWHMMOSA-N 0 0 397.507 4.444 40 0 GIABRN CCC(CC)NC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224337538 206018854 /nfs/dbraw/zinc/01/88/54/206018854.db2.gz JDOHOQFXSOOTLE-UHFFFAOYSA-N 0 0 394.924 4.084 40 0 GIABRN O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(Br)cc1F ZINC000224164125 206014930 /nfs/dbraw/zinc/01/49/30/206014930.db2.gz ILDGDKWQFUIVBT-UHFFFAOYSA-N 0 0 378.241 4.485 40 0 GIABRN O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCc1ccc(Cl)cc1 ZINC000224177006 206015256 /nfs/dbraw/zinc/01/52/56/206015256.db2.gz MULNGQHKUWOWRE-UHFFFAOYSA-N 0 0 378.708 4.309 40 0 GIABRN Cc1ccc(OCCNS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1C ZINC000224214700 206016049 /nfs/dbraw/zinc/01/60/49/206016049.db2.gz PLFNOTKVZNGQSC-UHFFFAOYSA-N 0 0 388.316 4.109 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccccc3C)c2)cc1 ZINC000224259788 206016577 /nfs/dbraw/zinc/01/65/77/206016577.db2.gz NSZQUIXJDYKZMQ-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN CCOc1ccc(CNC(=O)COc2cccc3c2CCCC3)cc1OCC ZINC000224222545 206016710 /nfs/dbraw/zinc/01/67/10/206016710.db2.gz ISOJXXDQWKGSNA-UHFFFAOYSA-N 0 0 383.488 4.058 40 0 GIABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000224229668 206016811 /nfs/dbraw/zinc/01/68/11/206016811.db2.gz VTZCYDGHXRGSOR-QAIWHXNASA-N 0 0 392.430 4.375 40 0 GIABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CC ZINC000224285948 206017391 /nfs/dbraw/zinc/01/73/91/206017391.db2.gz HYYFZHJOVMBNBT-FQEVSTJZSA-N 0 0 386.923 4.216 40 0 GIABRN CC[C@H](Oc1ccccc1OC)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000224288628 206017593 /nfs/dbraw/zinc/01/75/93/206017593.db2.gz ITQXVYYWBVDUPC-HNNXBMFYSA-N 0 0 383.473 4.318 40 0 GIABRN CC(C)Sc1nnc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)s1 ZINC000224359376 206019940 /nfs/dbraw/zinc/01/99/40/206019940.db2.gz ALIOOHPCELHJKF-GFCCVEGCSA-N 0 0 377.535 4.323 40 0 GIABRN CC[C@H](C)NC(=O)c1cc(N(C)S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000224338150 206019973 /nfs/dbraw/zinc/01/99/73/206019973.db2.gz USCMICCFPWIKJN-AWEZNQCLSA-N 0 0 394.924 4.002 40 0 GIABRN Cn1c(=O)sc2cc(NC(=O)CCc3ccc(Cl)c(Cl)c3)ccc21 ZINC000225071589 206035505 /nfs/dbraw/zinc/03/55/05/206035505.db2.gz LDNUKOYKNXBDFG-UHFFFAOYSA-N 0 0 381.284 4.478 40 0 GIABRN COc1ccc(CN(C)C(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1OC ZINC000224396401 206020335 /nfs/dbraw/zinc/02/03/35/206020335.db2.gz DGPRGTDOZNKAPP-INIZCTEOSA-N 0 0 383.488 4.009 40 0 GIABRN CCc1ccc(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000224537866 206021477 /nfs/dbraw/zinc/02/14/77/206021477.db2.gz XAVPPSRGECYBPG-UHFFFAOYSA-N 0 0 386.495 4.403 40 0 GIABRN Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000224523781 206021531 /nfs/dbraw/zinc/02/15/31/206021531.db2.gz HDNFCWLIBNGTDH-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccc(OC)cc1 ZINC000224475066 206022063 /nfs/dbraw/zinc/02/20/63/206022063.db2.gz BOVCPHBLYIDZHM-SFHVURJKSA-N 0 0 379.909 4.415 40 0 GIABRN CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccc(Cl)cc1 ZINC000224497534 206022125 /nfs/dbraw/zinc/02/21/25/206022125.db2.gz ODIPSQDSQLBPIH-LJQANCHMSA-N 0 0 389.879 4.227 40 0 GIABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1cccc(OC)c1 ZINC000224474954 206022776 /nfs/dbraw/zinc/02/27/76/206022776.db2.gz DGJUIIWTQOFHCS-SFHVURJKSA-N 0 0 379.909 4.415 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 ZINC000224592726 206023120 /nfs/dbraw/zinc/02/31/20/206023120.db2.gz PTJAMNAPAHVEAO-QHCPKHFHSA-N 0 0 394.559 4.426 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1C ZINC000224592656 206024461 /nfs/dbraw/zinc/02/44/61/206024461.db2.gz AYSIGFBIFRHTIQ-HSZRJFAPSA-N 0 0 394.559 4.426 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 ZINC000224591831 206024539 /nfs/dbraw/zinc/02/45/39/206024539.db2.gz NNQBZMJSEKDTDV-JOCHJYFZSA-N 0 0 398.522 4.256 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)C)c1 ZINC000224644097 206025712 /nfs/dbraw/zinc/02/57/12/206025712.db2.gz OGPLVBVTAKHRPH-KRWDZBQOSA-N 0 0 386.923 4.133 40 0 GIABRN CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccc(C)c(C)c1 ZINC000224618930 206026193 /nfs/dbraw/zinc/02/61/93/206026193.db2.gz MGWOOJHPAIIQMW-OAQYLSRUSA-N 0 0 383.488 4.190 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 ZINC000224741892 206026788 /nfs/dbraw/zinc/02/67/88/206026788.db2.gz HCYLAGXOTIMLLV-LJQANCHMSA-N 0 0 398.572 4.339 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 ZINC000224742988 206026928 /nfs/dbraw/zinc/02/69/28/206026928.db2.gz XJXWOPKOYCGMJW-LJQANCHMSA-N 0 0 398.572 4.421 40 0 GIABRN CCCC[C@H](CC)CNC(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000224746925 206027437 /nfs/dbraw/zinc/02/74/37/206027437.db2.gz DQLXTJDBTWJRAW-IBGZPJMESA-N 0 0 396.597 4.128 40 0 GIABRN CCOc1cccc(N(CC)S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000224738429 206027488 /nfs/dbraw/zinc/02/74/88/206027488.db2.gz IHBIWKPUGGYBLS-UHFFFAOYSA-N 0 0 384.295 4.063 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 ZINC000224770446 206027985 /nfs/dbraw/zinc/02/79/85/206027985.db2.gz ZGEJMTDICJFEMS-HXUWFJFHSA-N 0 0 394.559 4.434 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C ZINC000224812242 206029271 /nfs/dbraw/zinc/02/92/71/206029271.db2.gz YABFAUVHLLIGHI-KRWDZBQOSA-N 0 0 386.923 4.134 40 0 GIABRN COc1ccc(/C=C/C(=O)Nc2ccc(OC(F)(F)F)cc2)c(OC)c1OC ZINC000224856120 206029304 /nfs/dbraw/zinc/02/93/04/206029304.db2.gz XBQKIPYTFPIVGP-VZUCSPMQSA-N 0 0 397.349 4.263 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000224815076 206029398 /nfs/dbraw/zinc/02/93/98/206029398.db2.gz MGZLZKPLNZBGRJ-QGZVFWFLSA-N 0 0 386.923 4.216 40 0 GIABRN CCOc1ccc(-c2cnc(CCC(=O)Nc3cc(OC)ccc3OC)o2)cc1 ZINC000224859209 206029760 /nfs/dbraw/zinc/02/97/60/206029760.db2.gz BCEHYYMDJSMHBQ-UHFFFAOYSA-N 0 0 396.443 4.329 40 0 GIABRN CCCC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224956517 206030335 /nfs/dbraw/zinc/03/03/35/206030335.db2.gz ILIIRJCHRKKFRE-OAQYLSRUSA-N 0 0 384.495 4.090 40 0 GIABRN COc1ccc(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl ZINC000224936659 206030648 /nfs/dbraw/zinc/03/06/48/206030648.db2.gz UBCOKXVLHPUADD-UHFFFAOYSA-N 0 0 380.680 4.481 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C)c(C)c1 ZINC000224995952 206032238 /nfs/dbraw/zinc/03/22/38/206032238.db2.gz AQQFJYKDYWMTIM-UXHICEINSA-N 0 0 396.531 4.014 40 0 GIABRN CCN(c1ccccc1Br)S(=O)(=O)c1ccc(SC)cc1 ZINC000224979372 206032555 /nfs/dbraw/zinc/03/25/55/206032555.db2.gz ARWQGEOTUAZKST-UHFFFAOYSA-N 0 0 386.336 4.386 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C)c(C)c1 ZINC000224995916 206032592 /nfs/dbraw/zinc/03/25/92/206032592.db2.gz AQQFJYKDYWMTIM-VQTJNVASSA-N 0 0 396.531 4.014 40 0 GIABRN CCOc1cc(CNC(=O)CSCc2ccc(Cl)cc2F)ccc1OC ZINC000224996775 206032728 /nfs/dbraw/zinc/03/27/28/206032728.db2.gz VKBSLYRFUISFQO-UHFFFAOYSA-N 0 0 397.899 4.436 40 0 GIABRN CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 ZINC000224961876 206033132 /nfs/dbraw/zinc/03/31/32/206033132.db2.gz LNSUSPINFXBSHA-MRXNPFEDSA-N 0 0 380.488 4.110 40 0 GIABRN CCOC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225044330 206033446 /nfs/dbraw/zinc/03/34/46/206033446.db2.gz YGNFOUNGYWLUAA-UHFFFAOYSA-N 0 0 397.496 4.215 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C ZINC000225012741 206033615 /nfs/dbraw/zinc/03/36/15/206033615.db2.gz WKGBIYIKQFJVKB-VQTJNVASSA-N 0 0 396.531 4.014 40 0 GIABRN CCOC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225052204 206034041 /nfs/dbraw/zinc/03/40/41/206034041.db2.gz WJMPEFFJYMZCQK-UHFFFAOYSA-N 0 0 397.496 4.215 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225093261 206036961 /nfs/dbraw/zinc/03/69/61/206036961.db2.gz HUVYYAIETQMQEA-JOCHJYFZSA-N 0 0 380.532 4.180 40 0 GIABRN CCn1c(=O)sc2cc(NC(=O)COc3ccc(Cl)c(C)c3)ccc21 ZINC000225101958 206037284 /nfs/dbraw/zinc/03/72/84/206037284.db2.gz FJFQEGJBRBGKJW-UHFFFAOYSA-N 0 0 376.865 4.062 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc2c(c1)sc(=O)n2CC ZINC000225108627 206037855 /nfs/dbraw/zinc/03/78/55/206037855.db2.gz YDLXQRJFYHRFAL-QGZVFWFLSA-N 0 0 384.501 4.496 40 0 GIABRN O=C(NCCc1ccc(Cl)cc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000225097366 206038041 /nfs/dbraw/zinc/03/80/41/206038041.db2.gz PPUDYIGKGZGDQP-HKWRFOASSA-N 0 0 394.858 4.063 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 ZINC000225165639 206039427 /nfs/dbraw/zinc/03/94/27/206039427.db2.gz RIZSXOBMNBJPHS-JOCHJYFZSA-N 0 0 380.532 4.261 40 0 GIABRN COc1ccc(CNC(=O)CSCc2ccc(Cl)cc2F)cc1OC ZINC000225160896 206039613 /nfs/dbraw/zinc/03/96/13/206039613.db2.gz UTRYVLAEHZUAET-UHFFFAOYSA-N 0 0 383.872 4.046 40 0 GIABRN COc1ccc(-c2c(N)n(-c3cccc(C)c3)nc2C(F)(F)F)cc1OC ZINC000225182426 206040511 /nfs/dbraw/zinc/04/05/11/206040511.db2.gz XVZYTGYLPKPRLY-UHFFFAOYSA-N 0 0 377.366 4.466 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1 ZINC000225192049 206040534 /nfs/dbraw/zinc/04/05/34/206040534.db2.gz PZCGCTBMCPRTGJ-QFIPXVFZSA-N 0 0 396.531 4.016 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCOc2ccc(C)c(C)c2)cc1C(C)C ZINC000225179457 206040547 /nfs/dbraw/zinc/04/05/47/206040547.db2.gz WUCVNTKIRPPJAL-UHFFFAOYSA-N 0 0 391.533 4.101 40 0 GIABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Cc1ccc(Cl)cc1F ZINC000225180960 206040785 /nfs/dbraw/zinc/04/07/85/206040785.db2.gz ZOTJTEAONWFZAJ-UHFFFAOYSA-N 0 0 394.233 4.384 40 0 GIABRN CCOc1ccc(Nc2cc(C)nc(NC(=S)NCc3ccco3)n2)cc1 ZINC000225200351 206040823 /nfs/dbraw/zinc/04/08/23/206040823.db2.gz CMYXUQFDNBQUMI-UHFFFAOYSA-N 0 0 383.477 4.007 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 ZINC000225247072 206041277 /nfs/dbraw/zinc/04/12/77/206041277.db2.gz XERHAZZQBAAMTL-ROUUACIJSA-N 0 0 384.495 4.009 40 0 GIABRN COc1ccc(NC(=S)NCCSCc2cccc(C)c2)c(OC)c1 ZINC000225336890 206043010 /nfs/dbraw/zinc/04/30/10/206043010.db2.gz TWLGHHSDNYXXRQ-UHFFFAOYSA-N 0 0 376.547 4.232 40 0 GIABRN O=C(CCc1c(Cl)cccc1Cl)NCCCN1CCc2ccccc21 ZINC000225359261 206044242 /nfs/dbraw/zinc/04/42/42/206044242.db2.gz MAIYIIGTBKSYOU-UHFFFAOYSA-N 0 0 377.315 4.495 40 0 GIABRN O=C(c1ccc(NC(=S)NCc2ccccc2Cl)cc1)N1CCCCC1 ZINC000225372763 206044331 /nfs/dbraw/zinc/04/43/31/206044331.db2.gz RNUDQCUWXIZTIC-UHFFFAOYSA-N 0 0 387.936 4.453 40 0 GIABRN COC(=O)c1ccc(C)c(NC(=S)NCCSCc2ccccc2C)c1 ZINC000225361218 206044557 /nfs/dbraw/zinc/04/45/57/206044557.db2.gz HGBYDAXQEHOFOB-UHFFFAOYSA-N 0 0 388.558 4.310 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3cccc(C)c3C)s2)cc1 ZINC000225432307 206047788 /nfs/dbraw/zinc/04/77/88/206047788.db2.gz RMKVKSWIWBWZND-CQSZACIVSA-N 0 0 383.473 4.237 40 0 GIABRN COCCNC(=O)c1ccc(Nc2ccccc2Oc2ccccc2)c(N)c1 ZINC000225448489 206048753 /nfs/dbraw/zinc/04/87/53/206048753.db2.gz WLWQBQBAJHIPGN-UHFFFAOYSA-N 0 0 377.444 4.181 40 0 GIABRN Cc1ccc(CSCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225454080 206049497 /nfs/dbraw/zinc/04/94/97/206049497.db2.gz IRZRSUMSMPEWQS-LJQANCHMSA-N 0 0 398.572 4.170 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 ZINC000225489016 206050968 /nfs/dbraw/zinc/05/09/68/206050968.db2.gz MHCGSBXQOMBZDE-DENIHFKCSA-N 0 0 396.531 4.096 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1 ZINC000225492696 206051138 /nfs/dbraw/zinc/05/11/38/206051138.db2.gz YROUDXQTOGSBGY-DENIHFKCSA-N 0 0 396.531 4.096 40 0 GIABRN Cc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cccc4c3CCCC4)n2)cc1 ZINC000225480924 206051199 /nfs/dbraw/zinc/05/11/99/206051199.db2.gz JTYPWNSMDITDGO-INIZCTEOSA-N 0 0 391.471 4.008 40 0 GIABRN Cc1ccc(OCCCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225468410 206051562 /nfs/dbraw/zinc/05/15/62/206051562.db2.gz LMSNMFGEHUBDRZ-HXUWFJFHSA-N 0 0 396.531 4.096 40 0 GIABRN CCOc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3C)no2)cc1Cl ZINC000225482153 206052216 /nfs/dbraw/zinc/05/22/16/206052216.db2.gz DYHZFWWVHRLMPF-UHFFFAOYSA-N 0 0 385.851 4.369 40 0 GIABRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCC ZINC000225514628 206052831 /nfs/dbraw/zinc/05/28/31/206052831.db2.gz PKMGGWHZUDBTMS-JOCHJYFZSA-N 0 0 398.522 4.482 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225508778 206053282 /nfs/dbraw/zinc/05/32/82/206053282.db2.gz WBEWXGLPMZRZOB-FQEVSTJZSA-N 0 0 380.532 4.096 40 0 GIABRN Cc1ccc(CN(C(=O)CCSc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225518036 206053368 /nfs/dbraw/zinc/05/33/68/206053368.db2.gz MMMFLOXMUYOUAK-IBGZPJMESA-N 0 0 398.572 4.419 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)C)c1 ZINC000225515122 206053431 /nfs/dbraw/zinc/05/34/31/206053431.db2.gz QPDVUGMPSJUKFK-QGZVFWFLSA-N 0 0 386.923 4.133 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 ZINC000225072312 206036218 /nfs/dbraw/zinc/03/62/18/206036218.db2.gz JGPDWBSCALTHKQ-OAQYLSRUSA-N 0 0 398.572 4.421 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1 ZINC000225089373 206036331 /nfs/dbraw/zinc/03/63/31/206036331.db2.gz UNCGOYYSKRKBHJ-PMACEKPBSA-N 0 0 396.531 4.014 40 0 GIABRN CSc1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c1 ZINC000225706881 206068851 /nfs/dbraw/zinc/06/88/51/206068851.db2.gz XIUGJMHLXFJSOZ-UHFFFAOYSA-N 0 0 394.543 4.167 40 0 GIABRN COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 ZINC000225711201 206068899 /nfs/dbraw/zinc/06/88/99/206068899.db2.gz NFBVNXWQBZTXDQ-CVEARBPZSA-N 0 0 383.488 4.227 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CSc1ccccc1 ZINC000225720201 206069227 /nfs/dbraw/zinc/06/92/27/206069227.db2.gz VRNBJROHFSFWBX-OAQYLSRUSA-N 0 0 398.572 4.419 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C)c(C)c1 ZINC000225712570 206069904 /nfs/dbraw/zinc/06/99/04/206069904.db2.gz JNHOHBQEFLIZTA-JOCHJYFZSA-N 0 0 396.531 4.014 40 0 GIABRN O=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1cccc(Br)c1 ZINC000225733966 206070227 /nfs/dbraw/zinc/07/02/27/206070227.db2.gz RNOPSOSYZLCWQA-UHFFFAOYSA-N 0 0 391.652 4.056 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)NCCCc2cccc(OC)c2)c1 ZINC000225554012 206056733 /nfs/dbraw/zinc/05/67/33/206056733.db2.gz CZEDQXBRGPMYDA-UHFFFAOYSA-N 0 0 392.908 4.054 40 0 GIABRN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000225567570 206056845 /nfs/dbraw/zinc/05/68/45/206056845.db2.gz HSQRXJKPHUDKBV-IBGZPJMESA-N 0 0 392.499 4.046 40 0 GIABRN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000225567599 206057406 /nfs/dbraw/zinc/05/74/06/206057406.db2.gz HSQRXJKPHUDKBV-LJQANCHMSA-N 0 0 392.499 4.046 40 0 GIABRN CC(C)Oc1cccc(CCCNC(=S)Nc2ccc(C(=O)N(C)C)cc2)c1 ZINC000225566573 206057518 /nfs/dbraw/zinc/05/75/18/206057518.db2.gz OQPWWHQSNMRCCB-UHFFFAOYSA-N 0 0 399.560 4.095 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)NCCCc2ccc(OC)cc2)c1C ZINC000225557165 206057541 /nfs/dbraw/zinc/05/75/41/206057541.db2.gz GTSURXUCSPRNEM-UHFFFAOYSA-N 0 0 386.517 4.100 40 0 GIABRN CC1(C)C[C@@H](NC(=S)Nc2cccc(N3CCCC3=O)c2)c2ccccc2O1 ZINC000225578985 206058381 /nfs/dbraw/zinc/05/83/81/206058381.db2.gz DAICPGWKFVOXFC-GOSISDBHSA-N 0 0 395.528 4.402 40 0 GIABRN COc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c(C)c3)CCOCC2)cc1 ZINC000225584820 206058865 /nfs/dbraw/zinc/05/88/65/206058865.db2.gz AZBMSBDALPFOCA-UHFFFAOYSA-N 0 0 383.488 4.478 40 0 GIABRN COc1cccnc1NC(=S)NCCCSCc1ccc(Cl)cc1 ZINC000225611126 206060041 /nfs/dbraw/zinc/06/00/41/206060041.db2.gz NLSBGNGQRFTKHI-UHFFFAOYSA-N 0 0 381.954 4.354 40 0 GIABRN COC(=O)c1ccc(C)c(NC(=S)NCCCSCc2ccccc2)c1 ZINC000225597607 206060171 /nfs/dbraw/zinc/06/01/71/206060171.db2.gz QLMAKCSXUIGPOD-UHFFFAOYSA-N 0 0 388.558 4.392 40 0 GIABRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccc(Cl)cc1F ZINC000225596928 206060296 /nfs/dbraw/zinc/06/02/96/206060296.db2.gz DCAQYLZGSQODGD-UHFFFAOYSA-N 0 0 380.206 4.455 40 0 GIABRN CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 ZINC000225607523 206060727 /nfs/dbraw/zinc/06/07/27/206060727.db2.gz NMCJTBWFSJBVEZ-MRXNPFEDSA-N 0 0 380.488 4.110 40 0 GIABRN CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000225599272 206061127 /nfs/dbraw/zinc/06/11/27/206061127.db2.gz NFVGXJNUHOSZDL-KRWDZBQOSA-N 0 0 383.473 4.318 40 0 GIABRN Fc1ccccc1CSCCCNC(=S)Nc1ccc2c(c1)OCCO2 ZINC000225612375 206061291 /nfs/dbraw/zinc/06/12/91/206061291.db2.gz BFJJLSMGEBWUOF-UHFFFAOYSA-N 0 0 392.521 4.207 40 0 GIABRN COC(=O)c1cc(NC(=S)N[C@H](C)COc2ccccc2C)ccc1Cl ZINC000225636304 206062624 /nfs/dbraw/zinc/06/26/24/206062624.db2.gz UQLMSDAOFGGAKO-CYBMUJFWSA-N 0 0 392.908 4.189 40 0 GIABRN CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1 ZINC000225622393 206062810 /nfs/dbraw/zinc/06/28/10/206062810.db2.gz IKOLOXWHSWSTNX-QFIPXVFZSA-N 0 0 390.524 4.002 40 0 GIABRN C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(C(=O)N(C)C)cc1 ZINC000225661622 206064299 /nfs/dbraw/zinc/06/42/99/206064299.db2.gz GYICEXVLMYNFHR-MRXNPFEDSA-N 0 0 383.561 4.431 40 0 GIABRN CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1 ZINC000225698532 206067828 /nfs/dbraw/zinc/06/78/28/206067828.db2.gz JZJXFCYTXRCDEG-QFIPXVFZSA-N 0 0 390.524 4.002 40 0 GIABRN CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000225744439 206072674 /nfs/dbraw/zinc/07/26/74/206072674.db2.gz ZZLKAPQSFOJKEF-JOCHJYFZSA-N 0 0 390.524 4.002 40 0 GIABRN COc1cccc(-c2nnsc2C(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000225767173 206074400 /nfs/dbraw/zinc/07/44/00/206074400.db2.gz PMPBDKDQEQMRQL-UHFFFAOYSA-N 0 0 393.512 4.309 40 0 GIABRN COc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C(F)(F)F ZINC000225769040 206074734 /nfs/dbraw/zinc/07/47/34/206074734.db2.gz GAIUTVREWNBDNF-UHFFFAOYSA-N 0 0 379.378 4.401 40 0 GIABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000225786590 206075383 /nfs/dbraw/zinc/07/53/83/206075383.db2.gz HKVAIRWJNHMCQL-CQSZACIVSA-N 0 0 379.485 4.490 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)NCCOc2ccccc2Cl)c(C)c1 ZINC000225780413 206075919 /nfs/dbraw/zinc/07/59/19/206075919.db2.gz FMUAGGGTPXQXAT-UHFFFAOYSA-N 0 0 392.908 4.191 40 0 GIABRN Cc1ccc(CNC(=O)c2snnc2-c2ccc(Br)cc2)cc1 ZINC000225782360 206076230 /nfs/dbraw/zinc/07/62/30/206076230.db2.gz RWIJXCURZYBEFY-UHFFFAOYSA-N 0 0 388.290 4.206 40 0 GIABRN COC(=O)c1cc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)ccc1OCC(C)C ZINC000225807654 206076958 /nfs/dbraw/zinc/07/69/58/206076958.db2.gz GXSMBPXWKGCPMQ-YCRPNKLZSA-N 0 0 377.481 4.042 40 0 GIABRN CSc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1NC(=O)C(C)C ZINC000225809146 206077043 /nfs/dbraw/zinc/07/70/43/206077043.db2.gz QCONONNLKSIXLG-UHFFFAOYSA-N 0 0 398.594 4.394 40 0 GIABRN CCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C(=O)OCC ZINC000225808027 206077092 /nfs/dbraw/zinc/07/70/92/206077092.db2.gz WLSKODHMQZUMEE-YCRPNKLZSA-N 0 0 377.481 4.186 40 0 GIABRN CCOC(=O)c1cc(NC(=O)C2(OC)CCCCC2)ccc1O[C@H](C)CC ZINC000225805322 206077426 /nfs/dbraw/zinc/07/74/26/206077426.db2.gz CGGLZOCSAFJGML-OAHLLOKOSA-N 0 0 377.481 4.328 40 0 GIABRN CC[C@H](C)Oc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C(=O)OC ZINC000225807593 206077502 /nfs/dbraw/zinc/07/75/02/206077502.db2.gz KZWIPDTVVDPCMH-WIEQDCTASA-N 0 0 377.481 4.184 40 0 GIABRN CCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C(=O)OC ZINC000225798070 206078198 /nfs/dbraw/zinc/07/81/98/206078198.db2.gz VCECISDZCDILTN-UHFFFAOYSA-N 0 0 379.497 4.288 40 0 GIABRN Cc1cccc(-c2noc(CNC(=S)Nc3ccc(F)c(Cl)c3)n2)c1 ZINC000225814796 206078608 /nfs/dbraw/zinc/07/86/08/206078608.db2.gz OQSZEDLJFYTGSI-UHFFFAOYSA-N 0 0 376.844 4.324 40 0 GIABRN COc1cccc(-c2noc(CCC(=O)N[C@H](C)c3ccc(Cl)cc3)n2)c1 ZINC000225825396 206078837 /nfs/dbraw/zinc/07/88/37/206078837.db2.gz USVIBFQWENOQBK-CYBMUJFWSA-N 0 0 385.851 4.209 40 0 GIABRN Fc1ccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)cc1F ZINC000225819320 206079340 /nfs/dbraw/zinc/07/93/40/206079340.db2.gz CYNLOAWOCVQDOJ-UHFFFAOYSA-N 0 0 380.807 4.155 40 0 GIABRN CCOc1ccc(-c2noc(CNC(=S)Nc3ccccc3OCC)n2)cc1 ZINC000225829935 206081311 /nfs/dbraw/zinc/08/13/11/206081311.db2.gz VDBFSPYOLBYEIS-UHFFFAOYSA-N 0 0 398.488 4.021 40 0 GIABRN COCCOc1ncc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C ZINC000225867875 206082471 /nfs/dbraw/zinc/08/24/71/206082471.db2.gz RYBVJRDDDXOHLB-UHFFFAOYSA-N 0 0 386.467 4.395 40 0 GIABRN CCCO[C@@](C)(C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1)C1CC1 ZINC000225858115 206083119 /nfs/dbraw/zinc/08/31/19/206083119.db2.gz VQFJAAGXFSVQCK-JOCHJYFZSA-N 0 0 391.508 4.432 40 0 GIABRN CCOCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)c(C)n1 ZINC000225885059 206083830 /nfs/dbraw/zinc/08/38/30/206083830.db2.gz QQBHGUXSBABTDU-UHFFFAOYSA-N 0 0 380.529 4.221 40 0 GIABRN CC(C)(C)NC(=S)Nc1nc(N2Cc3ccccc3C2)cc(C(F)(F)F)n1 ZINC000225896525 206083836 /nfs/dbraw/zinc/08/38/36/206083836.db2.gz HBQDTXTWBRRUSG-UHFFFAOYSA-N 0 0 395.454 4.101 40 0 GIABRN Cc1ccc(CNC(=S)Nc2nc(Cl)cc(N3C[C@H](C)C[C@H](C)C3)n2)o1 ZINC000225916758 206084548 /nfs/dbraw/zinc/08/45/48/206084548.db2.gz LFSPZPHKFYQWFE-TXEJJXNPSA-N 0 0 393.944 4.000 40 0 GIABRN CCCO[C@]1(C(=O)Nc2cnc(OCCOCC)c(C)c2)CCC[C@@H](C)C1 ZINC000225911715 206084578 /nfs/dbraw/zinc/08/45/78/206084578.db2.gz HGWRMTNBXIGUBQ-IIBYNOLFSA-N 0 0 378.513 4.119 40 0 GIABRN COc1ccc(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)c2ccccc12 ZINC000225925021 206085090 /nfs/dbraw/zinc/08/50/90/206085090.db2.gz WWWVPMHQOITFGJ-UHFFFAOYSA-N 0 0 392.455 4.492 40 0 GIABRN Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 ZINC000225962367 206085740 /nfs/dbraw/zinc/08/57/40/206085740.db2.gz USXOYNVIGKGECE-INMHGKMJSA-N 0 0 383.565 4.315 40 0 GIABRN Cc1cc(N2Cc3ccccc3C2)nc(NC(=S)NC2CCCCCC2)n1 ZINC000226010995 206086520 /nfs/dbraw/zinc/08/65/20/206086520.db2.gz ZKKZFBZBOAMXHW-UHFFFAOYSA-N 0 0 381.549 4.314 40 0 GIABRN CN(c1cc(C(=O)Nc2cccc3ccccc32)ccc1Cl)S(C)(=O)=O ZINC000225973221 206086692 /nfs/dbraw/zinc/08/66/92/206086692.db2.gz QZYMZVXJEDRTLZ-UHFFFAOYSA-N 0 0 388.876 4.141 40 0 GIABRN Cc1cc(Oc2ccccc2)nc(NC(=S)NCCCc2ccccc2)n1 ZINC000225966457 206086807 /nfs/dbraw/zinc/08/68/07/206086807.db2.gz KSZQRMZCIJTQIQ-UHFFFAOYSA-N 0 0 378.501 4.497 40 0 GIABRN Cc1cc(N2CCCCCC2)nc(NC(=S)NCCCc2ccccc2)n1 ZINC000225966436 206087134 /nfs/dbraw/zinc/08/71/34/206087134.db2.gz SGZOWUZFNLFMQS-UHFFFAOYSA-N 0 0 383.565 4.085 40 0 GIABRN C[C@@H]1CCCCN1c1cc(C(F)(F)F)nc(NC(=S)NC2CCCC2)n1 ZINC000226006976 206087162 /nfs/dbraw/zinc/08/71/62/206087162.db2.gz NJYTYKGNCFSYLD-LLVKDONJSA-N 0 0 387.475 4.103 40 0 GIABRN COc1ccc2cc(C(=O)NC(c3ccccc3)c3ccccc3)c(=O)oc2c1 ZINC000226043515 206087322 /nfs/dbraw/zinc/08/73/22/206087322.db2.gz WAQIEYCDHIBSHA-UHFFFAOYSA-N 0 0 385.419 4.321 40 0 GIABRN C[C@H]1CCCN(c2cc(Cl)nc(NC(=S)NC3CCCCCC3)n2)C1 ZINC000226011306 206087470 /nfs/dbraw/zinc/08/74/70/206087470.db2.gz AZJGCDVTXZMJDG-ZDUSSCGKSA-N 0 0 381.977 4.376 40 0 GIABRN Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc(NC(=S)NC2CCCCCC2)n1 ZINC000226010961 206087553 /nfs/dbraw/zinc/08/75/53/206087553.db2.gz RYBMYHGLMXHLTF-GJZGRUSLSA-N 0 0 375.586 4.277 40 0 GIABRN COc1ccc(-n2cccc2CN(C)C(=O)c2ccc3[nH]c(Cl)nc3c2)cc1 ZINC000225984990 206087903 /nfs/dbraw/zinc/08/79/03/206087903.db2.gz YBSPFYODAQVGAW-UHFFFAOYSA-N 0 0 394.862 4.288 40 0 GIABRN COCC[C@H]1CCOC12CCN(C(=O)c1cc3cc(Cl)ccc3o1)CC2 ZINC000247828366 206133195 /nfs/dbraw/zinc/13/31/95/206133195.db2.gz GSVMUVDWJYHZEB-HNNXBMFYSA-N 0 0 377.868 4.134 40 0 GIABRN CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OC)c4F)OCC[C@@]31C2 ZINC000257202567 206156840 /nfs/dbraw/zinc/15/68/40/206156840.db2.gz AMJXEBCMUNJTDB-BFDYTVALSA-N 0 0 375.484 4.243 40 0 GIABRN Cc1ccc(OCC(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)cc1 ZINC000257201480 206157142 /nfs/dbraw/zinc/15/71/42/206157142.db2.gz AHVUPQJBSAHOHL-OAQYLSRUSA-N 0 0 394.446 4.455 40 0 GIABRN Cc1noc([C@]2(C)CCC[N@H+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)C2)n1 ZINC000257202091 206158302 /nfs/dbraw/zinc/15/83/02/206158302.db2.gz AKKBJMCFYPXUBF-HSZRJFAPSA-N 0 0 391.471 4.297 40 0 GIABRN Cc1ncoc1C(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257212733 206159082 /nfs/dbraw/zinc/15/90/82/206159082.db2.gz CERZJTIFLPMWQH-HNNXBMFYSA-N 0 0 385.851 4.235 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2N(C(=O)c3ccccn3)[C@H](c3ccccc3)C[C@@]21C ZINC000257209169 206159090 /nfs/dbraw/zinc/15/90/90/206159090.db2.gz BPGRTKXMCCMWCJ-FIXSFTCYSA-N 0 0 391.515 4.219 40 0 GIABRN CC(C)n1nccc1C(=O)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257205742 206159685 /nfs/dbraw/zinc/15/96/85/206159685.db2.gz BAKKCPBUAXTLPQ-SFHVURJKSA-N 0 0 382.439 4.159 40 0 GIABRN Cc1nccc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)n1 ZINC000257207973 206160126 /nfs/dbraw/zinc/16/01/26/206160126.db2.gz BKDVUPLGLJZTNT-IBGZPJMESA-N 0 0 396.878 4.385 40 0 GIABRN CC(C)n1nccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 ZINC000257211245 206160220 /nfs/dbraw/zinc/16/02/20/206160220.db2.gz BYBYCTVWUZHCAS-LJQANCHMSA-N 0 0 378.476 4.410 40 0 GIABRN CCC(CC)C(=O)N1CC[C@H](c2ccnc3ncc(-c4ccc(F)cc4)n32)C1 ZINC000257232218 206162174 /nfs/dbraw/zinc/16/21/74/206162174.db2.gz GJWGFLWRWBEXNP-KRWDZBQOSA-N 0 0 380.467 4.288 40 0 GIABRN COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)O[C@@H]21 ZINC000257219225 206161029 /nfs/dbraw/zinc/16/10/29/206161029.db2.gz DGBYZPKISFORIL-HPFXQQBRSA-N 0 0 389.492 4.322 40 0 GIABRN Cc1ccc(C(=O)N2CCCC[C@H]2c2cc[nH]n2)cc1NCc1cccnc1 ZINC000257214824 206161220 /nfs/dbraw/zinc/16/12/20/206161220.db2.gz CNOCFWAOLRUDKU-NRFANRHFSA-N 0 0 375.476 4.093 40 0 GIABRN COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2ncccc2C)o1 ZINC000257216805 206161373 /nfs/dbraw/zinc/16/13/73/206161373.db2.gz CWDGVJAXRIMPOV-LJQANCHMSA-N 0 0 391.471 4.345 40 0 GIABRN COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2ccccn2)o1 ZINC000257215034 206161618 /nfs/dbraw/zinc/16/16/18/206161618.db2.gz COJNSJHJTPUYLD-LJQANCHMSA-N 0 0 377.444 4.036 40 0 GIABRN COc1ccc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)cn1 ZINC000257214970 206161646 /nfs/dbraw/zinc/16/16/46/206161646.db2.gz CODBEDCNQKXHFN-IBGZPJMESA-N 0 0 377.444 4.036 40 0 GIABRN COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2ccccn2)o1 ZINC000257215033 206161793 /nfs/dbraw/zinc/16/17/93/206161793.db2.gz COJNSJHJTPUYLD-IBGZPJMESA-N 0 0 377.444 4.036 40 0 GIABRN COc1cccc(-c2cncc([C@@H]3CN(C(=O)CCC4CCCC4)CCO3)n2)c1 ZINC000257273977 206172115 /nfs/dbraw/zinc/17/21/15/206172115.db2.gz NJAGFDSYAZBLOM-QFIPXVFZSA-N 0 0 395.503 4.023 40 0 GIABRN CCC(CC)C(=O)N1CCC(c2n[nH]cc2C(=O)N(CC)c2ccccc2)CC1 ZINC000257287013 206172859 /nfs/dbraw/zinc/17/28/59/206172859.db2.gz POAMGPBTPLTSKG-UHFFFAOYSA-N 0 0 396.535 4.219 40 0 GIABRN CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@H+](Cc4ccc(C(=O)[O-])cc4)[C@@H]3C[C@H]21 ZINC000257290744 206172985 /nfs/dbraw/zinc/17/29/85/206172985.db2.gz QEDKHBLWNYTBFC-CZAYHTPWSA-N 0 0 393.483 4.277 40 0 GIABRN COC(=O)c1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)C(C)C)cc1 ZINC000257289746 206173217 /nfs/dbraw/zinc/17/32/17/206173217.db2.gz PZZZKAWLMVBSOZ-FLWDDDKSSA-N 0 0 399.531 4.128 40 0 GIABRN Cc1cc(=O)cc([C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)[nH]1 ZINC000257286550 206173281 /nfs/dbraw/zinc/17/32/81/206173281.db2.gz PLZPHJYMDWCKBA-OAHLLOKOSA-N 0 0 378.428 4.043 40 0 GIABRN COC(C)(C)C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257287131 206173358 /nfs/dbraw/zinc/17/33/58/206173358.db2.gz POQWLIIBTPEWCJ-QGZVFWFLSA-N 0 0 376.884 4.397 40 0 GIABRN CCN(c1ccccc1)[C@H]1COC2(C1)CCN(C(=O)c1cc(C(C)C)no1)CC2 ZINC000257313733 206178261 /nfs/dbraw/zinc/17/82/61/206178261.db2.gz UTWUIADTURZEKW-LJQANCHMSA-N 0 0 397.519 4.088 40 0 GIABRN COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2scnc2C)o1 ZINC000257287433 206173867 /nfs/dbraw/zinc/17/38/67/206173867.db2.gz PPZCSVMKCZYFLA-QGZVFWFLSA-N 0 0 397.500 4.406 40 0 GIABRN Cc1cccc(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)n1 ZINC000257298226 206175027 /nfs/dbraw/zinc/17/50/27/206175027.db2.gz RKSVDSXCTQZMFU-KRWDZBQOSA-N 0 0 379.435 4.128 40 0 GIABRN CCCC(=O)N1CCC(Cc2ccc(-c3cccc(C)c3)cc2)(C(=O)NC)CC1 ZINC000257232749 206162551 /nfs/dbraw/zinc/16/25/51/206162551.db2.gz GMFLPCPOYSTMOQ-UHFFFAOYSA-N 0 0 392.543 4.359 40 0 GIABRN CC(C)n1ccnc1CN1CC2(C1)CO[C@@H]1c3ccccc3OC(C)(C)[C@H]1C2 ZINC000257315629 206177972 /nfs/dbraw/zinc/17/79/72/206177972.db2.gz VCEZRJHZNVTPML-GHTZIAJQSA-N 0 0 381.520 4.215 40 0 GIABRN Cc1noc(C)c1-c1cc(C2CCN(C(=O)Cc3ccccc3F)CC2)ccn1 ZINC000257240182 206164084 /nfs/dbraw/zinc/16/40/84/206164084.db2.gz HSLWONGXHQPTLY-UHFFFAOYSA-N 0 0 393.462 4.441 40 0 GIABRN CN(C)c1nc([C@H]2CCCCN2C(=O)c2nccc3ccccc32)cn2cccc12 ZINC000257245462 206166375 /nfs/dbraw/zinc/16/63/75/206166375.db2.gz IPPXKGLGFSJHLC-HXUWFJFHSA-N 0 0 399.498 4.316 40 0 GIABRN Cc1noc(C)c1-c1cncc([C@H]2CCCN2C(=O)c2c(F)cccc2F)n1 ZINC000257249471 206166738 /nfs/dbraw/zinc/16/67/38/206166738.db2.gz JINPGABMMGWBDS-QGZVFWFLSA-N 0 0 384.386 4.004 40 0 GIABRN O=C(COc1cccc(F)c1)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257245881 206166860 /nfs/dbraw/zinc/16/68/60/206166860.db2.gz IRMIZONALJXAHJ-HXUWFJFHSA-N 0 0 398.409 4.286 40 0 GIABRN COc1cccc(C(=O)N2CCC(c3ccnc(-c4c(C)noc4C)c3)CC2)c1 ZINC000257267220 206169417 /nfs/dbraw/zinc/16/94/17/206169417.db2.gz MGLBFWOAQWTFDV-UHFFFAOYSA-N 0 0 391.471 4.382 40 0 GIABRN CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCCN1Cc1cccs1 ZINC000257273279 206170978 /nfs/dbraw/zinc/17/09/78/206170978.db2.gz NFYDBZVRNGKMLL-HXUWFJFHSA-N 0 0 394.544 4.471 40 0 GIABRN Cc1cccc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)n1 ZINC000257333774 206182089 /nfs/dbraw/zinc/18/20/89/206182089.db2.gz YCZBOIZEAPGPDK-FQEVSTJZSA-N 0 0 379.435 4.475 40 0 GIABRN Cc1cnc(Nc2cc(C3CCN(C(=O)c4ccccc4)CC3)nc(C)n2)s1 ZINC000257338425 206182318 /nfs/dbraw/zinc/18/23/18/206182318.db2.gz YXIXVRPDXKQHBU-UHFFFAOYSA-N 0 0 393.516 4.313 40 0 GIABRN Cc1ccccc1-c1ccccc1CC1(C(N)=O)CCN(C(=O)CC(C)C)CC1 ZINC000257312598 206178749 /nfs/dbraw/zinc/17/87/49/206178749.db2.gz UOSSLYIVIBTOAX-UHFFFAOYSA-N 0 0 392.543 4.345 40 0 GIABRN COc1ccc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)cn1 ZINC000257331651 206180066 /nfs/dbraw/zinc/18/00/66/206180066.db2.gz XTSGNVLGFLTZSV-GOSISDBHSA-N 0 0 397.862 4.300 40 0 GIABRN CCOc1cc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCCC[C@H]3O2)ccc1OC(F)F ZINC000257328247 206180265 /nfs/dbraw/zinc/18/02/65/206180265.db2.gz XEVABUBOLNIWAG-BVIKNXMNSA-N 0 0 383.435 4.212 40 0 GIABRN Cc1cnc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)cn1 ZINC000257331727 206180394 /nfs/dbraw/zinc/18/03/94/206180394.db2.gz XUACVBVIOVJULA-MRXNPFEDSA-N 0 0 396.878 4.037 40 0 GIABRN CC(=O)N[C@H]1CCCC[C@@]12CN(Cc1csc3ccc(Cl)cc13)CCO2 ZINC000306139101 206205454 /nfs/dbraw/zinc/20/54/54/206205454.db2.gz SPIDTRYOCVOXPE-VQTJNVASSA-N 0 0 392.952 4.204 40 0 GIABRN CC(C)CC(=O)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC3CC3)c12 ZINC000306143333 206207884 /nfs/dbraw/zinc/20/78/84/206207884.db2.gz XZIOUOPJRWBUGO-UHFFFAOYSA-N 0 0 379.504 4.216 40 0 GIABRN CC(C)CNC(=O)c1cc2ccc(OC(=O)c3ccccc3Cl)cc2oc1=O ZINC000000941567 206209846 /nfs/dbraw/zinc/20/98/46/206209846.db2.gz FAIGMIGRXFUYHS-UHFFFAOYSA-N 0 0 399.830 4.051 40 0 GIABRN Cc1cc(=O)oc2cc(OC(=O)COc3cc(Cl)ccc3Cl)ccc12 ZINC000000959351 206210368 /nfs/dbraw/zinc/21/03/68/206210368.db2.gz HBPBQGUHAIHRMP-UHFFFAOYSA-N 0 0 379.195 4.393 40 0 GIABRN O=C1c2cccn2[C@H]2CN(Cc3cccc(Cl)c3)C[C@H]2N1Cc1cccs1 ZINC000306130391 206198382 /nfs/dbraw/zinc/19/83/82/206198382.db2.gz JETNDUFLAOUMLD-VQTJNVASSA-N 0 0 397.931 4.285 40 0 GIABRN CCN(Cc1ccccc1)C(=O)c1nc(-c2cnc(NC)s2)n2ccccc12 ZINC000306135849 206202444 /nfs/dbraw/zinc/20/24/44/206202444.db2.gz PCPZKKHQOQSXFH-UHFFFAOYSA-N 0 0 391.500 4.162 40 0 GIABRN CC[C@@H](C)[C@H](C(=O)Nc1ccc(Cl)cc1C)N1C(=O)c2ccccc2C1=O ZINC000004341317 206215167 /nfs/dbraw/zinc/21/51/67/206215167.db2.gz DMEKVEVGSCDASQ-KZULUSFZSA-N 0 0 384.863 4.298 40 0 GIABRN CC[C@H](C)[C@@H](C(=O)Nc1ccc(Cl)cc1C)N1C(=O)c2ccccc2C1=O ZINC000004341314 206215221 /nfs/dbraw/zinc/21/52/21/206215221.db2.gz DMEKVEVGSCDASQ-SGTLLEGYSA-N 0 0 384.863 4.298 40 0 GIABRN O=C(OCc1ccccc1Cl)c1cccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000100390304 206216378 /nfs/dbraw/zinc/21/63/78/206216378.db2.gz SVGOCQVBNGDLTR-HDICACEKSA-N 0 0 397.858 4.377 40 0 GIABRN COC(=O)C(=Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)OC ZINC000409058752 533126234 /nfs/dbraw/zinc/12/62/34/533126234.db2.gz SVMZSLQCCRWKJP-UHFFFAOYSA-N 0 0 395.238 4.302 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)on1 ZINC000012118477 221153065 /nfs/dbraw/zinc/15/30/65/221153065.db2.gz FAMZLAZCBIVNGK-OAHLLOKOSA-N 0 0 395.438 4.299 40 0 GIABRN CC(C)(C)c1cc(C(F)(F)F)n2nc(C3CCN(C(=O)C4CC4)CC3)cc2n1 ZINC000012160325 221161322 /nfs/dbraw/zinc/16/13/22/221161322.db2.gz DGHRAHUXOZFGLE-UHFFFAOYSA-N 0 0 394.441 4.162 40 0 GIABRN O=C(NC1CCCC1)c1cc2nccc(-c3cc(Cl)cc(Cl)c3)n2n1 ZINC000013644978 221278218 /nfs/dbraw/zinc/27/82/18/221278218.db2.gz ZPMKALRQQZWNBK-UHFFFAOYSA-N 0 0 375.259 4.376 40 0 GIABRN Cn1nc(C2CCN(C(=O)Cc3cccc(F)c3)CC2)cc1-c1cccc(F)c1 ZINC000019288857 221405219 /nfs/dbraw/zinc/40/52/19/221405219.db2.gz KUENTZKELGVGHA-UHFFFAOYSA-N 0 0 395.453 4.314 40 0 GIABRN CCn1cc(CC(=O)N2CCC[C@](O)(c3ccc(F)cc3)CC2)c2ccccc21 ZINC000019524784 221421013 /nfs/dbraw/zinc/42/10/13/221421013.db2.gz WARCCNCIZDEOJU-XMMPIXPASA-N 0 0 394.490 4.243 40 0 GIABRN COCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)c(C)n1 ZINC000225871391 533252323 /nfs/dbraw/zinc/25/23/23/533252323.db2.gz BJHCCJALJNFOSU-UHFFFAOYSA-N 0 0 398.503 4.264 40 0 GIABRN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408602754 533268759 /nfs/dbraw/zinc/26/87/59/533268759.db2.gz DOBHHTXPNFYGQO-OAHLLOKOSA-N 0 0 397.283 4.219 40 0 GIABRN COc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 ZINC000408714059 533283121 /nfs/dbraw/zinc/28/31/21/533283121.db2.gz HMEUSKRSKLWOLS-UHFFFAOYSA-N 0 0 379.460 4.315 40 0 GIABRN COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)c(OC)c1 ZINC000057316147 533320054 /nfs/dbraw/zinc/32/00/54/533320054.db2.gz OHMACCLCGBLGFH-UHFFFAOYSA-N 0 0 385.272 4.137 40 0 GIABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2c3c(cccc31)CC2 ZINC000408624547 533406372 /nfs/dbraw/zinc/40/63/72/533406372.db2.gz UYOIWNIJVAEQJR-UHFFFAOYSA-N 0 0 376.481 4.382 40 0 GIABRN COc1c(F)c(F)c(C(=O)Nc2cccc(NC(=O)C(C)C)c2)c(F)c1F ZINC000408624032 533427310 /nfs/dbraw/zinc/42/73/10/533427310.db2.gz WSBUDKLBOZIENK-UHFFFAOYSA-N 0 0 384.329 4.098 40 0 GIABRN COc1ccc(C2(NC(=S)Nc3ccc(C(=O)N(C)C)cc3)CCCC2)cc1 ZINC000225871430 533427728 /nfs/dbraw/zinc/42/77/28/533427728.db2.gz FICILBGXSMVYDE-UHFFFAOYSA-N 0 0 397.544 4.153 40 0 GIABRN Cc1cc(N2CCC(C(=O)NC3CCCCC3)CC2)nc(-c2ccccc2)n1 ZINC000001350672 136193146 /nfs/dbraw/zinc/19/31/46/136193146.db2.gz FFMCWHCERMVPAV-UHFFFAOYSA-N 0 0 378.520 4.117 40 0 aggregator GIABRN C[C@@H]1CCCN(c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCO5)cc2)C1 ZINC000013563013 136201257 /nfs/dbraw/zinc/20/12/57/136201257.db2.gz RTGJEUCBKKRFRC-OAHLLOKOSA-N 0 0 391.471 4.105 40 0 GIABRN Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(C(C)C)cc2)CC1 ZINC000218959704 136203916 /nfs/dbraw/zinc/20/39/16/136203916.db2.gz WSJJDAGLQIXDCC-UHFFFAOYSA-N 0 0 386.923 4.499 40 0 GIABRN COc1cc(CNC(=O)C2CCN(c3ccc(C)cc3)CC2)ccc1OC(C)C ZINC000219860466 136204357 /nfs/dbraw/zinc/20/43/57/136204357.db2.gz SBBWCHVGFXSZQK-UHFFFAOYSA-N 0 0 396.531 4.324 40 0 GIABRN CC[C@@H](NC(=O)C1CCN(c2ccc(C)cc2)CC1)c1ccc(OC)c(OC)c1 ZINC000219865628 136204478 /nfs/dbraw/zinc/20/44/78/136204478.db2.gz MYAZIKNHMBUPKD-OAQYLSRUSA-N 0 0 396.531 4.496 40 0 GIABRN Cc1ccc(C)c(NC(=O)c2cccc(N3C(=O)[C@H]4CC=C(C)C[C@@H]4C3=O)c2)c1 ZINC000408684322 533685366 /nfs/dbraw/zinc/68/53/66/533685366.db2.gz OVLSFNLUPFXUTB-PMACEKPBSA-N 0 0 388.467 4.401 40 0 GIABRN Cc1ccc(C)c(NC(=O)c2ccc(N3C(=O)[C@@H]4CC=C(C)C[C@@H]4C3=O)cc2)c1 ZINC000408679089 533686040 /nfs/dbraw/zinc/68/60/40/533686040.db2.gz GDKCSEVZNLMGDG-UXHICEINSA-N 0 0 388.467 4.401 40 0 GIABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)c1 ZINC000408563115 533688018 /nfs/dbraw/zinc/68/80/18/533688018.db2.gz IRMULQIQVRIXGO-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN COc1cc(CNc2ccc(C)cc2C)cc(I)c1O ZINC000409109772 533911768 /nfs/dbraw/zinc/91/17/68/533911768.db2.gz LCIKBZJUHLZCNE-UHFFFAOYSA-N 0 0 383.229 4.234 40 0 GIABRN Cc1ccc(CNS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)cc1 ZINC000408613104 534075024 /nfs/dbraw/zinc/07/50/24/534075024.db2.gz ZHRIZBRRQLWUIP-UHFFFAOYSA-N 0 0 394.496 4.034 40 0 GIABRN Cc1ccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1C ZINC000408672537 534191740 /nfs/dbraw/zinc/19/17/40/534191740.db2.gz NPUJAQZAKYNPAP-BOUXLOLZSA-N 0 0 390.483 4.481 40 0 GIABRN Cc1ccc(-c2nnc(CN(C)C(=O)c3ccc(Br)cc3)o2)cc1 ZINC000408714159 534222176 /nfs/dbraw/zinc/22/21/76/534222176.db2.gz KBXUOHLPBDPXPS-UHFFFAOYSA-N 0 0 386.249 4.080 40 0 GIABRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O ZINC000409106815 534226906 /nfs/dbraw/zinc/22/69/06/534226906.db2.gz PJOQVKWFNQOTNX-KXUVPBGPSA-N 0 0 391.832 4.198 40 0 GIABRN Cc1ccsc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O ZINC000408930210 534455378 /nfs/dbraw/zinc/45/53/78/534455378.db2.gz UCTTZUGBLZFKLW-CXUHLZMHSA-N 0 0 386.498 4.348 40 0 GIABRN S=C(NCCCc1ccccc1)Nc1ccccc1I ZINC000408585677 534458769 /nfs/dbraw/zinc/45/87/69/534458769.db2.gz IAINTRPLYDINJG-UHFFFAOYSA-N 0 0 396.297 4.210 40 0 GIABRN S=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)NC1CC1 ZINC000408975661 534459002 /nfs/dbraw/zinc/45/90/02/534459002.db2.gz BVMFDZFEJJLTBI-UHFFFAOYSA-N 0 0 398.495 4.203 40 0 GIABRN Cc1nc(NC(=O)c2cccc3ccccc32)ccc1I ZINC000408623311 534484432 /nfs/dbraw/zinc/48/44/32/534484432.db2.gz SRNKYLRPRWZAMN-UHFFFAOYSA-N 0 0 388.208 4.400 40 0 GIABRN O=C(CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O)Nc1ccccc1 ZINC000408623153 534559197 /nfs/dbraw/zinc/55/91/97/534559197.db2.gz DHKGNGYLYJTAIM-UHFFFAOYSA-N 0 0 398.871 4.154 40 0 GIABRN COc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1OC ZINC000020143229 523749237 /nfs/dbraw/zinc/74/92/37/523749237.db2.gz AWHAPBSVDJZSQV-UHFFFAOYSA-N 0 0 387.819 4.362 40 0 GIABRN Cc1ccccc1CN(c1ccc(C(=O)Nc2ccccc2)cc1)S(C)(=O)=O ZINC000409140247 534812873 /nfs/dbraw/zinc/81/28/73/534812873.db2.gz QGQZKKLGJXCVJT-UHFFFAOYSA-N 0 0 394.496 4.214 40 0 GIABRN Cc1ccccc1OCc1ccc(C(=O)NCC(=O)Nc2cccc(Cl)c2)o1 ZINC000408560562 534829702 /nfs/dbraw/zinc/82/97/02/534829702.db2.gz DJELIBBWQXNZEZ-UHFFFAOYSA-N 0 0 398.846 4.189 40 0 GIABRN O=S1(=O)N=C(Nc2ccc(OCc3ccccc3Cl)cc2)c2ccccc21 ZINC000059474897 534877866 /nfs/dbraw/zinc/87/78/66/534877866.db2.gz JSPWGSUZTVSOOW-UHFFFAOYSA-N 0 0 398.871 4.480 40 0 GIABRN CC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)Cc1ccccc1)N2 ZINC000409106182 526648469 /nfs/dbraw/zinc/64/84/69/526648469.db2.gz MJRZCUDYEGXCHF-ZRGWGRIASA-N 0 0 382.426 4.141 40 0 GIABRN CC(=O)Nc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1C ZINC000408603334 527023974 /nfs/dbraw/zinc/02/39/74/527023974.db2.gz GLANYMZKADTSAF-UHFFFAOYSA-N 0 0 394.496 4.021 40 0 GIABRN CC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000408707312 527632517 /nfs/dbraw/zinc/63/25/17/527632517.db2.gz JBCWMSXRHKGSDA-QQFBHYJXSA-N 0 0 376.928 4.414 40 0 GIABRN CCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(CC)ccc3o2)c(O)c1 ZINC000408628740 527920788 /nfs/dbraw/zinc/92/07/88/527920788.db2.gz WUOCPOFJGYMIKR-UHFFFAOYSA-N 0 0 383.473 4.376 40 0 GIABRN CC(C)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000408553913 528115987 /nfs/dbraw/zinc/11/59/87/528115987.db2.gz RLZNPFXSXCYLKI-MRXNPFEDSA-N 0 0 396.512 4.269 40 0 GIABRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(Cl)c3)C(=O)[C@@H]2C1 ZINC000408681947 528122985 /nfs/dbraw/zinc/12/29/85/528122985.db2.gz JVZRRHYUVAIPJM-FUHWJXTLSA-N 0 0 394.858 4.438 40 0 GIABRN CCCN1C(=O)N/C(=C/c2ccc(OCc3cccc(F)c3)c(OCC)c2)C1=O ZINC000409246295 528174848 /nfs/dbraw/zinc/17/48/48/528174848.db2.gz AMXOGAWJGRMWTI-LDADJPATSA-N 0 0 398.434 4.106 40 0 GIABRN CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCC(N)=O ZINC000408553438 528286204 /nfs/dbraw/zinc/28/62/04/528286204.db2.gz ABLOLKCOLLMWDP-UHFFFAOYSA-N 0 0 392.455 4.354 40 0 GIABRN CCC(=O)Oc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1OC ZINC000013925091 528445402 /nfs/dbraw/zinc/44/54/02/528445402.db2.gz NPDRUKNEXHBWQA-GDNBJRDFSA-N 0 0 385.803 4.009 40 0 GIABRN CCCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408702284 528454426 /nfs/dbraw/zinc/45/44/26/528454426.db2.gz APPVDEHNRJXOOQ-HXUWFJFHSA-N 0 0 388.920 4.254 40 0 GIABRN CCOc1ccc(N2C[C@H](C(=O)NC3CCC(C(C)(C)C)CC3)CC2=O)cc1 ZINC000408709336 528483914 /nfs/dbraw/zinc/48/39/14/528483914.db2.gz ZUGQFGPHMUSZTA-WWDZGPRUSA-N 0 0 386.536 4.159 40 0 GIABRN CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(OC)cc1 ZINC000408705298 528553057 /nfs/dbraw/zinc/55/30/57/528553057.db2.gz BQWVHIXWLPCQCC-HXUWFJFHSA-N 0 0 384.476 4.021 40 0 GIABRN CCOc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1NC(=O)CC ZINC000408698322 528589497 /nfs/dbraw/zinc/58/94/97/528589497.db2.gz PECXOFMJOLJZRB-UHFFFAOYSA-N 0 0 398.484 4.388 40 0 GIABRN CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1F ZINC000409105914 528693505 /nfs/dbraw/zinc/69/35/05/528693505.db2.gz PFDJJZVWVUQYOQ-UHFFFAOYSA-N 0 0 398.507 4.395 40 0 GIABRN CCCOc1ccc(N2C[C@@H](C(=O)NCc3ccc(C(C)C)cc3)CC2=O)cc1 ZINC000408707838 528696553 /nfs/dbraw/zinc/69/65/53/528696553.db2.gz MCZQKKWUQWVPOG-FQEVSTJZSA-N 0 0 394.515 4.268 40 0 GIABRN CCCOc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2)C1=O ZINC000408604498 528767482 /nfs/dbraw/zinc/76/74/82/528767482.db2.gz UXCPUTBIMPCRNB-QGOAFFKASA-N 0 0 396.468 4.150 40 0 GIABRN CCCc1sc(NC(=O)c2ccncc2)nc1-c1cc(OC)cc(OC)c1 ZINC000408825975 528806986 /nfs/dbraw/zinc/80/69/86/528806986.db2.gz SHEKHJVLHSQLGU-UHFFFAOYSA-N 0 0 383.473 4.427 40 0 GIABRN CCc1cccc(C)c1NS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 ZINC000408584391 529159834 /nfs/dbraw/zinc/15/98/34/529159834.db2.gz PGIXUUDAIIHCOI-UHFFFAOYSA-N 0 0 388.533 4.052 40 0 GIABRN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(C)c(C(=O)NC(C)C)c1 ZINC000408597911 529168727 /nfs/dbraw/zinc/16/87/27/529168727.db2.gz WKFBYWPJBQJJJV-UHFFFAOYSA-N 0 0 388.533 4.059 40 0 GIABRN CC(C)(C)c1ccccc1OCC(=O)NCCCN1CCCc2ccccc21 ZINC000222803901 535129712 /nfs/dbraw/zinc/12/97/12/535129712.db2.gz SASBFZIVTFOOKD-UHFFFAOYSA-N 0 0 380.532 4.322 40 0 GIABRN COc1cccc(CC[C@H]2CCCCN2C(=O)c2ccc3c(c2)ncn3C)c1 ZINC000019718640 570209926 /nfs/dbraw/zinc/20/99/26/570209926.db2.gz DJOHIQNUIFGKLF-LJQANCHMSA-N 0 0 377.488 4.209 40 0 GIABRN Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1nnc(-c2ccccc2)o1 ZINC000019718670 570209972 /nfs/dbraw/zinc/20/99/72/570209972.db2.gz SZNZVSAJWYSQLG-UHFFFAOYSA-N 0 0 378.819 4.177 40 0 GIABRN CCc1nc2ccccc2n1[C@@H](C)C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000019718494 570209974 /nfs/dbraw/zinc/20/99/74/570209974.db2.gz LMZNXDHQCJPGGZ-AWEZNQCLSA-N 0 0 384.549 4.273 40 0 GIABRN CCOc1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCC3)n2)cc1 ZINC000328973761 570210168 /nfs/dbraw/zinc/21/01/68/570210168.db2.gz FDNBZKTVZVUKAB-UHFFFAOYSA-N 0 0 375.476 4.457 40 0 GIABRN COCCn1c(C)c(C(=O)N(C)Cc2ccc3c(c2)C[C@@H](C)O3)c2ccccc21 ZINC000019719119 570210212 /nfs/dbraw/zinc/21/02/12/570210212.db2.gz QECWCCYFSAUXNU-MRXNPFEDSA-N 0 0 392.499 4.192 40 0 GIABRN CCOc1ccc([C@@H]2CCCN2C(=O)c2cccc3c(=O)cc(C)[nH]c23)cc1 ZINC000019719127 570210218 /nfs/dbraw/zinc/21/02/18/570210218.db2.gz KLQUZBZYKKOBMV-FQEVSTJZSA-N 0 0 376.456 4.213 40 0 GIABRN CCOc1ccc(Nc2cc(-c3ccccn3)nc(N[C@H](CO)C(C)C)n2)cc1 ZINC000328976325 570210357 /nfs/dbraw/zinc/21/03/57/570210357.db2.gz FOBZQJWGJBEFEN-HXUWFJFHSA-N 0 0 393.491 4.110 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc(NCc2cccc(Cl)c2)cc(-c2ccccc2)n1 ZINC000328977652 570210495 /nfs/dbraw/zinc/21/04/95/570210495.db2.gz FUKPFDCWZPDHQV-HXUWFJFHSA-N 0 0 396.922 4.260 40 0 GIABRN CNc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C2CC2)n1 ZINC000328989034 570210861 /nfs/dbraw/zinc/21/08/61/570210861.db2.gz IIAKKELXSSJYJJ-UHFFFAOYSA-N 0 0 376.304 4.021 40 0 GIABRN Fc1ccc(Cl)cc1Nc1cc(-c2ccccn2)nc(NC2CCCC2)n1 ZINC000328983314 570210911 /nfs/dbraw/zinc/21/09/11/570210911.db2.gz HGGAWQMBPCTTGT-UHFFFAOYSA-N 0 0 383.858 4.273 40 0 GIABRN Cc1c(Br)cccc1Nc1cc(-c2ccncc2)nc(NC(C)C)n1 ZINC000329008990 570211732 /nfs/dbraw/zinc/21/17/32/570211732.db2.gz LUCNRFCAABHNGK-UHFFFAOYSA-N 0 0 398.308 4.017 40 0 GIABRN Fc1cc(Nc2cc(C3CC3)nc(NC3CCCC3)n2)ccc1Br ZINC000329009651 570211826 /nfs/dbraw/zinc/21/18/26/570211826.db2.gz LWGZUSDBCNCBOO-UHFFFAOYSA-N 0 0 391.288 4.198 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2ccc(Br)c(F)c2)cc(C2CC2)n1 ZINC000329014348 570212052 /nfs/dbraw/zinc/21/20/52/570212052.db2.gz MUXIDZDQGFTZHI-JTQLQIEISA-N 0 0 379.277 4.053 40 0 GIABRN CC(C)c1cc(N2Cc3ccccc3C(C)(C)C2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329020871 570213334 /nfs/dbraw/zinc/21/33/34/570213334.db2.gz OEKSCQWTLRRUAA-FQEVSTJZSA-N 0 0 382.552 4.327 40 0 GIABRN Cc1cc(F)ccc1Nc1cc(-c2ccccn2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329023094 570213840 /nfs/dbraw/zinc/21/38/40/570213840.db2.gz OSNIZNUVTLUQAJ-IBGZPJMESA-N 0 0 381.455 4.159 40 0 GIABRN Fc1cc(Nc2cc(Cl)nc(-c3ccncc3)n2)cc(F)c1Br ZINC000329037189 570214052 /nfs/dbraw/zinc/21/40/52/570214052.db2.gz RNDGNTBKVWIDAS-UHFFFAOYSA-N 0 0 397.610 4.398 40 0 GIABRN COCCn1c(C(=O)NCc2ccco2)cc2c1c1ccccc1n2C(C)C ZINC000096146362 570214131 /nfs/dbraw/zinc/21/41/31/570214131.db2.gz OBQASJNEWSZCQX-UHFFFAOYSA-N 0 0 379.460 4.346 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2Cl)cc(-c2ccccc2)n1 ZINC000329047650 570214763 /nfs/dbraw/zinc/21/47/63/570214763.db2.gz UFXOJCUWWBGOEL-HXUWFJFHSA-N 0 0 396.922 4.260 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2cccc(Br)c2C)cc(C2CC2)n1 ZINC000329047020 570214981 /nfs/dbraw/zinc/21/49/81/570214981.db2.gz UEBIQONRBZNJJL-LLVKDONJSA-N 0 0 375.314 4.223 40 0 GIABRN Cc1ccc(Cl)cc1Nc1cc(-c2ccncc2)nc(NC2CCCC2)n1 ZINC000329054707 570215567 /nfs/dbraw/zinc/21/55/67/570215567.db2.gz VKRZCSVRTMGRBM-UHFFFAOYSA-N 0 0 379.895 4.442 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2ccccc2C(F)(F)F)cc(C(F)(F)F)n1 ZINC000329053981 570215616 /nfs/dbraw/zinc/21/56/16/570215616.db2.gz VITAAFHKJDYRAZ-SECBINFHSA-N 0 0 378.320 4.312 40 0 GIABRN FC(F)(F)c1cccc(-c2nc(Cl)cc(NCCc3ccccn3)n2)c1 ZINC000329066569 570216025 /nfs/dbraw/zinc/21/60/25/570216025.db2.gz YAZPCXYWNXJVDC-UHFFFAOYSA-N 0 0 378.785 4.287 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(C2CC2)n1 ZINC000329065104 570216166 /nfs/dbraw/zinc/21/61/66/570216166.db2.gz XPPZCUCKPADAQI-MRXNPFEDSA-N 0 0 381.307 4.255 40 0 GIABRN CC(C)c1cc(N2Cc3ccccc3CC2(C)C)nc(N[C@H](CO)C(C)C)n1 ZINC000329069711 570216879 /nfs/dbraw/zinc/21/68/79/570216879.db2.gz YZZIQSABDYKTQN-HXUWFJFHSA-N 0 0 382.552 4.370 40 0 GIABRN Clc1cccc(CNc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)c1 ZINC000329069688 570216985 /nfs/dbraw/zinc/21/69/85/570216985.db2.gz YZOQVYCMOKRIDY-UHFFFAOYSA-N 0 0 393.922 4.393 40 0 GIABRN Cc1nc([C@H]2CCCCN2Cc2cccnc2)ncc1C(=O)Nc1ccccc1 ZINC000019766275 570217633 /nfs/dbraw/zinc/21/76/33/570217633.db2.gz ZZFOIBNOCPOQBM-OAQYLSRUSA-N 0 0 387.487 4.160 40 0 GIABRN Cc1ccccc1NC(=O)c1nnc2c(-c3ccc(Cl)cc3)cnn2c1C ZINC000019817102 570221583 /nfs/dbraw/zinc/22/15/83/570221583.db2.gz JNOOWIRTQSTYDD-UHFFFAOYSA-N 0 0 377.835 4.314 40 0 GIABRN CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21 ZINC000096242326 570222641 /nfs/dbraw/zinc/22/26/41/570222641.db2.gz LTXYAFCMTMVIFA-IBGZPJMESA-N 0 0 394.515 4.199 40 0 GIABRN CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)CC3CCCC3)CC2)c2ccccc21 ZINC000096242067 570222884 /nfs/dbraw/zinc/22/28/84/570222884.db2.gz MDQIARCIZXSJTD-LJQANCHMSA-N 0 0 382.548 4.093 40 0 GIABRN CC(C)n1c2cc(C(=O)N3CCC[C@@H]3C)n(C(=O)N(C)C)c2c2ccccc21 ZINC000096264207 570226844 /nfs/dbraw/zinc/22/68/44/570226844.db2.gz HPKKWWXLOXBJQM-HNNXBMFYSA-N 0 0 380.492 4.331 40 0 GIABRN COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3N2C(=O)c2ccccc2)c1 ZINC000585261353 570228156 /nfs/dbraw/zinc/22/81/56/570228156.db2.gz IJNCAGUBPCIGRW-HFMPRLQTSA-N 0 0 392.499 4.100 40 0 GIABRN C[C@H]1CCC[C@H](C)N1C(=O)CSc1ncnc2sc3c(c21)CCCC3 ZINC000000886409 570228448 /nfs/dbraw/zinc/22/84/48/570228448.db2.gz NWBLDMSIYMSGCA-STQMWFEESA-N 0 0 375.563 4.452 40 0 GIABRN Cc1cc(C)cc(OCc2nnc(SCC(=O)N(C)c3ccccc3)o2)c1 ZINC000019928375 570230323 /nfs/dbraw/zinc/23/03/23/570230323.db2.gz PADSAZVMPNRROM-UHFFFAOYSA-N 0 0 383.473 4.021 40 0 GIABRN Cc1ccc2ncc(-c3cccc([C@@H]4CCCN(C(=O)C(C)(C)C)C4)n3)n2c1 ZINC000585262759 570230735 /nfs/dbraw/zinc/23/07/35/570230735.db2.gz CMWHAQJWTVPDBS-QGZVFWFLSA-N 0 0 376.504 4.457 40 0 GIABRN COc1cccc(OC)c1/C=C/C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000020030276 570236140 /nfs/dbraw/zinc/23/61/40/570236140.db2.gz CDXDTGMDRDKLKZ-OCHBPSSRSA-N 0 0 390.277 4.357 40 0 GIABRN COC(=O)c1cc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)ccc1Cl ZINC000020048977 570237775 /nfs/dbraw/zinc/23/77/75/570237775.db2.gz SAULUIVOTCMZMU-AWEZNQCLSA-N 0 0 375.852 4.458 40 0 GIABRN CC(C)C[C@H](NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000020111028 570240835 /nfs/dbraw/zinc/24/08/35/570240835.db2.gz XHHZTTRALSHNQT-SFHVURJKSA-N 0 0 394.924 4.229 40 0 GIABRN CCc1ccc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)cc1 ZINC000020143903 570243367 /nfs/dbraw/zinc/24/33/67/570243367.db2.gz WKVFJKABJCSZBJ-UHFFFAOYSA-N 0 0 381.428 4.027 40 0 GIABRN Cc1c2cccc(F)c2oc1C(=O)N(C)[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585274410 570243411 /nfs/dbraw/zinc/24/34/11/570243411.db2.gz WCRQUUZOEQJODR-VAMGGRTRSA-N 0 0 397.446 4.313 40 0 GIABRN COc1cc(OC)cc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c1 ZINC000020143308 570243384 /nfs/dbraw/zinc/24/33/84/570243384.db2.gz SJZQZDYKFLXYAL-UHFFFAOYSA-N 0 0 387.819 4.362 40 0 GIABRN Cc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1C ZINC000020152122 570244426 /nfs/dbraw/zinc/24/44/26/570244426.db2.gz WJIXQOFVYWAMRL-UHFFFAOYSA-N 0 0 394.496 4.491 40 0 GIABRN Cc1cccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c1 ZINC000020151556 570244647 /nfs/dbraw/zinc/24/46/47/570244647.db2.gz PNVJSFDSMXADGW-UHFFFAOYSA-N 0 0 380.469 4.183 40 0 GIABRN Clc1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)n[nH]2)c(Cl)c1 ZINC000020414286 570254638 /nfs/dbraw/zinc/25/46/38/570254638.db2.gz AFPVOMNGYJXSJG-UHFFFAOYSA-N 0 0 390.274 4.359 40 0 GIABRN Clc1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)n[nH]2)cc1Cl ZINC000020414284 570254645 /nfs/dbraw/zinc/25/46/45/570254645.db2.gz HSXHHOVTXKOCHR-UHFFFAOYSA-N 0 0 390.274 4.359 40 0 GIABRN CCS(=O)(=O)N1c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2C[C@H]1C ZINC000020449077 570256381 /nfs/dbraw/zinc/25/63/81/570256381.db2.gz WIGLQVJYKBBCPO-CYBMUJFWSA-N 0 0 392.908 4.001 40 0 GIABRN CCc1cc(I)ccc1NC(=O)c1ccc(OC)cc1 ZINC000001256182 570259647 /nfs/dbraw/zinc/25/96/47/570259647.db2.gz ORYBZGBWGGAJCK-UHFFFAOYSA-N 0 0 381.213 4.115 40 0 GIABRN CC[C@H](Oc1ccccc1Cl)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000020462134 570261024 /nfs/dbraw/zinc/26/10/24/570261024.db2.gz HGDKSQSPRWHPMX-FQEVSTJZSA-N 0 0 386.923 4.463 40 0 GIABRN COc1cccc(-c2noc([C@H]3CCCN(C(=O)Nc4ccccc4C)C3)n2)c1 ZINC000001362501 570261215 /nfs/dbraw/zinc/26/12/15/570261215.db2.gz YFFYRIIMOQPOLK-KRWDZBQOSA-N 0 0 392.459 4.465 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2CC)cc1Cl ZINC000020481005 570261460 /nfs/dbraw/zinc/26/14/60/570261460.db2.gz YJEDIXPINCPXHT-CYBMUJFWSA-N 0 0 375.852 4.485 40 0 GIABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(I)cc2)c1C ZINC000020491391 570263007 /nfs/dbraw/zinc/26/30/07/570263007.db2.gz OCEAVVMDIVBRJM-CYBMUJFWSA-N 0 0 395.240 4.314 40 0 GIABRN O=C(c1ccco1)N(C(=S)N1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000001635188 570266441 /nfs/dbraw/zinc/26/64/41/570266441.db2.gz TYCVNLNDDLHWIJ-UHFFFAOYSA-N 0 0 397.544 4.162 40 0 GIABRN CN(C(=O)c1ccc(Cl)s1)C(=S)N(C)C(=O)c1ccc(Cl)s1 ZINC000001639092 570266451 /nfs/dbraw/zinc/26/64/51/570266451.db2.gz LFXCHRWMTNVSEV-UHFFFAOYSA-N 0 0 393.342 4.246 40 0 GIABRN CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1Br ZINC000001700086 570267357 /nfs/dbraw/zinc/26/73/57/570267357.db2.gz AXPXCXUYLGNCCB-UHFFFAOYSA-N 0 0 383.311 4.130 40 0 GIABRN CCCc1nnc2sc(-c3cccc(NC(=O)c4ccccc4F)c3)nn12 ZINC000020609622 570271832 /nfs/dbraw/zinc/27/18/32/570271832.db2.gz WRQINTNNEAHXJK-UHFFFAOYSA-N 0 0 381.436 4.197 40 0 GIABRN CCc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4F)cc3n2)cc1 ZINC000020610222 570272158 /nfs/dbraw/zinc/27/21/58/570272158.db2.gz PIKNQPFQOIHDCZ-UHFFFAOYSA-N 0 0 390.418 4.140 40 0 GIABRN CC(C)CCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(F)cc1)C3 ZINC000020671520 570274429 /nfs/dbraw/zinc/27/44/29/570274429.db2.gz LOOSYAXERVSPSB-AWEZNQCLSA-N 0 0 384.480 4.314 40 0 GIABRN CCc1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3ccnn3C)cs2)cc1 ZINC000585295122 570274981 /nfs/dbraw/zinc/27/49/81/570274981.db2.gz MMWYLJQHZUHHOR-IBGZPJMESA-N 0 0 395.532 4.028 40 0 GIABRN CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCCC2)CC1 ZINC000100750030 570276485 /nfs/dbraw/zinc/27/64/85/570276485.db2.gz DMBRYQRGCICZOI-MZKRTTBSSA-N 0 0 385.552 4.152 40 0 GIABRN CCC(C)(C)n1nnnc1[C@H](C(C)C)N(Cc1ccco1)Cc1cccnc1 ZINC000055142682 570279066 /nfs/dbraw/zinc/27/90/66/570279066.db2.gz AQSMOLBRFVIEJO-IBGZPJMESA-N 0 0 382.512 4.206 40 0 GIABRN CCOc1ccccc1N1C(=O)C[C@H](Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000101276205 570282200 /nfs/dbraw/zinc/28/22/00/570282200.db2.gz AFOYTBWQTNWVQN-AWEZNQCLSA-N 0 0 379.243 4.136 40 0 GIABRN COCCn1c(SCCOc2ccccc2Cl)nnc1-c1ccccc1 ZINC000041294289 570289496 /nfs/dbraw/zinc/28/94/96/570289496.db2.gz ZFKHQEWDHVVWAG-UHFFFAOYSA-N 0 0 389.908 4.416 40 0 GIABRN CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 ZINC000216473185 570302514 /nfs/dbraw/zinc/30/25/14/570302514.db2.gz SEUNZQLPCOLZTM-HUUCEWRRSA-N 0 0 389.517 4.461 40 0 GIABRN Cc1ccc(C(=O)NC(=S)Nc2c3nsnc3ccc2Cl)cc1Cl ZINC000021595473 570307072 /nfs/dbraw/zinc/30/70/72/570307072.db2.gz YEWJDCPMICULSA-UHFFFAOYSA-N 0 0 397.312 4.433 40 0 GIABRN O=S1(=O)CC[C@@H](N(c2ccccc2)C(c2ccccc2)c2ccccc2)C1 ZINC000575421879 570308176 /nfs/dbraw/zinc/30/81/76/570308176.db2.gz SKCOAIBQJUZSQK-JOCHJYFZSA-N 0 0 377.509 4.470 40 0 GIABRN CCn1cc(C(=O)NCc2ccc(Cl)cc2Cl)c(=O)c2ccccc21 ZINC000022234369 570308816 /nfs/dbraw/zinc/30/88/16/570308816.db2.gz ZQZNHEIMWQPQQI-UHFFFAOYSA-N 0 0 375.255 4.258 40 0 GIABRN COc1ccc(OC)c(CC(=O)N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000022250995 570310493 /nfs/dbraw/zinc/31/04/93/570310493.db2.gz KTRFJSCGDDGBCK-UHFFFAOYSA-N 0 0 375.468 4.475 40 0 GIABRN CC1(C)C[C@@]1(NC(=O)Nc1cccc(N2C(=O)CCCC2=O)c1)c1ccccc1 ZINC000666964464 570311475 /nfs/dbraw/zinc/31/14/75/570311475.db2.gz FMGBCLVTOLJVIQ-HSZRJFAPSA-N 0 0 391.471 4.177 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(NC3CCCC3)nc2)cc1 ZINC000072213968 570314063 /nfs/dbraw/zinc/31/40/63/570314063.db2.gz ATJMIUGPNQFLHN-FQEVSTJZSA-N 0 0 385.533 4.270 40 0 GIABRN CN(CC1=CCCOC1)C(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000667515742 570314854 /nfs/dbraw/zinc/31/48/54/570314854.db2.gz MCKKEYYZOYIKOV-UHFFFAOYSA-N 0 0 399.303 4.322 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N3CCCCC3)nc2)cc1 ZINC000072216080 570317125 /nfs/dbraw/zinc/31/71/25/570317125.db2.gz WIVYQGYUJFLBOO-OAQYLSRUSA-N 0 0 399.560 4.296 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N3CCCC3)nc2C)cc1 ZINC000072218959 570318322 /nfs/dbraw/zinc/31/83/22/570318322.db2.gz YWEQSIXWPXZSLO-NRFANRHFSA-N 0 0 399.560 4.215 40 0 GIABRN N[C@@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000072227326 570318801 /nfs/dbraw/zinc/31/88/01/570318801.db2.gz ZHVYVMWKQMDEFG-UONOGXRCSA-N 0 0 386.076 4.171 40 0 GIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000022512380 570319016 /nfs/dbraw/zinc/31/90/16/570319016.db2.gz XVHDZRXZEWQSCI-GOSISDBHSA-N 0 0 393.314 4.500 40 0 GIABRN CCc1ccc(N(CCCC(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000113961923 570336847 /nfs/dbraw/zinc/33/68/47/570336847.db2.gz GILGKJVRBZJRKS-UHFFFAOYSA-N 0 0 388.533 4.051 40 0 GIABRN Cc1cc(C)cc(N(CCCC(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000113967392 570338015 /nfs/dbraw/zinc/33/80/15/570338015.db2.gz CCXLKPQMVISPIF-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN CC(=O)N(C)c1cccc(CN2CCc3onc(Nc4cccc(F)c4)c3C2)c1 ZINC000072352919 570339529 /nfs/dbraw/zinc/33/95/29/570339529.db2.gz KXIQQYUAIGMHEK-UHFFFAOYSA-N 0 0 394.450 4.098 40 0 GIABRN Cc1nccn1-c1cccc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 ZINC000072378904 570340908 /nfs/dbraw/zinc/34/09/08/570340908.db2.gz HUTYFLGVZRMJTP-UHFFFAOYSA-N 0 0 399.498 4.006 40 0 GIABRN COc1ccc2c(c1)[C@H](NC(=O)COc1ccccc1Cl)CC(C)(C)O2 ZINC000218850677 570342116 /nfs/dbraw/zinc/34/21/16/570342116.db2.gz WSSUCVOZDAKGAA-MRXNPFEDSA-N 0 0 375.852 4.146 40 0 GIABRN COc1ccc2c(c1)[C@@H](NC(=O)COc1cc(C)cc(C)c1C)CC(C)(C)O2 ZINC000218969451 570344603 /nfs/dbraw/zinc/34/46/03/570344603.db2.gz BEUNHAPPLKDNHY-IBGZPJMESA-N 0 0 383.488 4.418 40 0 GIABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000219035934 570346676 /nfs/dbraw/zinc/34/66/76/570346676.db2.gz YSJXIVBUAPNWFE-AWEZNQCLSA-N 0 0 393.468 4.377 40 0 GIABRN COc1ccc2c(c1)[C@H](NC(=O)CSCc1ccc(F)cc1)CC(C)(C)O2 ZINC000219262646 570350799 /nfs/dbraw/zinc/35/07/99/570350799.db2.gz MJRWAJJVSKLXSO-GOSISDBHSA-N 0 0 389.492 4.486 40 0 GIABRN COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1OC ZINC000219298325 570352021 /nfs/dbraw/zinc/35/20/21/570352021.db2.gz ALPYDQWWRBSQHR-QGZVFWFLSA-N 0 0 385.504 4.344 40 0 GIABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000219328893 570355123 /nfs/dbraw/zinc/35/51/23/570355123.db2.gz FDRBLPMSHUEOHC-MRXNPFEDSA-N 0 0 389.814 4.003 40 0 GIABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(-c2ccccc2)no1 ZINC000219352115 570356482 /nfs/dbraw/zinc/35/64/82/570356482.db2.gz SBVRZSNSNJDLPS-FQEVSTJZSA-N 0 0 387.439 4.364 40 0 GIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219359708 570356614 /nfs/dbraw/zinc/35/66/14/570356614.db2.gz AIBMBKLWVWPNIG-WOJBJXKFSA-N 0 0 399.487 4.280 40 0 GIABRN CC[C@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000219372683 570357228 /nfs/dbraw/zinc/35/72/28/570357228.db2.gz QQXSPGUGFWMXBJ-IBGZPJMESA-N 0 0 393.487 4.478 40 0 GIABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1nc(-c2ccc(C)cc2)no1 ZINC000219380649 570357748 /nfs/dbraw/zinc/35/77/48/570357748.db2.gz IQYKHEUPRARMFB-SFHVURJKSA-N 0 0 379.460 4.136 40 0 GIABRN CC(C)Cn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(Cl)cc1 ZINC000006327400 570359204 /nfs/dbraw/zinc/35/92/04/570359204.db2.gz VFSWNLCIBUNFMK-UHFFFAOYSA-N 0 0 392.956 4.359 40 0 GIABRN O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc2nsnc2c1 ZINC000057315795 570360428 /nfs/dbraw/zinc/36/04/28/570360428.db2.gz SZPAMLZMAYGTSG-UHFFFAOYSA-N 0 0 383.285 4.125 40 0 GIABRN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc2nsnc2c1 ZINC000057315902 570360817 /nfs/dbraw/zinc/36/08/17/570360817.db2.gz BJOHHVGCXPJHOR-UHFFFAOYSA-N 0 0 387.424 4.455 40 0 GIABRN CCCOc1ccc(C(=O)NC(=S)Nc2cccc3ccc(C)nc32)cc1 ZINC000057316199 570361093 /nfs/dbraw/zinc/36/10/93/570361093.db2.gz XCKFNYBAVZQXQN-UHFFFAOYSA-N 0 0 379.485 4.459 40 0 GIABRN CC(=O)Nc1cccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn32)c1 ZINC000408618317 570365115 /nfs/dbraw/zinc/36/51/15/570365115.db2.gz GIUVPADUOMLCFM-UHFFFAOYSA-N 0 0 397.434 4.386 40 0 GIABRN Cc1ccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1C ZINC000219523267 570365631 /nfs/dbraw/zinc/36/56/31/570365631.db2.gz DHDNRHWBCDOQGB-HNNXBMFYSA-N 0 0 399.878 4.433 40 0 GIABRN Clc1ccc(CN(Cc2nnnn2C2CCCCC2)C[C@H]2CCCO2)cc1 ZINC000057614163 570365959 /nfs/dbraw/zinc/36/59/59/570365959.db2.gz FXICLWPMMNIWMZ-LJQANCHMSA-N 0 0 389.931 4.013 40 0 GIABRN C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000118932185 570369163 /nfs/dbraw/zinc/36/91/63/570369163.db2.gz OVUOVMIMOCJILI-UXXNGQCPSA-N 0 0 384.516 4.162 40 0 GIABRN Cc1cc(S(=O)(=O)N2CCCCC2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408621595 570371497 /nfs/dbraw/zinc/37/14/97/570371497.db2.gz LRNFUSGCYCNRMY-UHFFFAOYSA-N 0 0 392.908 4.075 40 0 GIABRN CCSc1ccccc1C(=O)N[C@H](CC)c1ccc(S(C)(=O)=O)cc1 ZINC000219651381 570372214 /nfs/dbraw/zinc/37/22/14/570372214.db2.gz JWQVGWZRPZWLOX-QGZVFWFLSA-N 0 0 377.531 4.083 40 0 GIABRN Cc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 ZINC000219682728 570372865 /nfs/dbraw/zinc/37/28/65/570372865.db2.gz KXFZURNKTWFQLO-OAHLLOKOSA-N 0 0 376.294 4.274 40 0 GIABRN Fc1ccc(CCNc2ncc(-c3ncc[nH]3)c(-c3ccc(F)cc3)n2)cc1 ZINC000057761945 570372877 /nfs/dbraw/zinc/37/28/77/570372877.db2.gz ICCPKQPKJYNVOE-UHFFFAOYSA-N 0 0 377.398 4.467 40 0 GIABRN CN(C)c1nc2c(c(Nc3ccccc3)n1)[C@H]1CC[C@@H](C2)N1C(=O)OC(C)(C)C ZINC000057774898 570373527 /nfs/dbraw/zinc/37/35/27/570373527.db2.gz ZXACUXTXHDZBDF-DOTOQJQBSA-N 0 0 395.507 4.283 40 0 GIABRN CCCCc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1 ZINC000219717303 570373952 /nfs/dbraw/zinc/37/39/52/570373952.db2.gz RBLGWXFRQPONCT-UHFFFAOYSA-N 0 0 388.533 4.069 40 0 GIABRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)C(C)(C)C)ccc3O)oc2c1 ZINC000408625969 570377448 /nfs/dbraw/zinc/37/74/48/570377448.db2.gz GGRYGQSAVONVFZ-UHFFFAOYSA-N 0 0 383.473 4.368 40 0 GIABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2cccs2)no1 ZINC000024577278 570386392 /nfs/dbraw/zinc/38/63/92/570386392.db2.gz SUTOZYNBSOXJTI-ZDUSSCGKSA-N 0 0 385.489 4.179 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222390142 570409396 /nfs/dbraw/zinc/40/93/96/570409396.db2.gz AVNWNLURFACCCH-IBGZPJMESA-N 0 0 380.532 4.214 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1 ZINC000222454632 570411197 /nfs/dbraw/zinc/41/11/97/570411197.db2.gz QJARJGMNIYGYNW-QFIPXVFZSA-N 0 0 396.531 4.014 40 0 GIABRN CCSc1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl ZINC000222523115 570413367 /nfs/dbraw/zinc/41/33/67/570413367.db2.gz PPUDGOFALIBFDR-UHFFFAOYSA-N 0 0 398.937 4.100 40 0 GIABRN CC(C)C(=O)N1CCc2cc(-c3csc(NC(=O)c4ccccn4)n3)ccc21 ZINC000001238240 570413437 /nfs/dbraw/zinc/41/34/37/570413437.db2.gz UCEVCEDLYOTUTJ-UHFFFAOYSA-N 0 0 392.484 4.003 40 0 GIABRN C[C@@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000222526015 570413618 /nfs/dbraw/zinc/41/36/18/570413618.db2.gz NCQVLOBIPAPVNY-QGZVFWFLSA-N 0 0 394.496 4.003 40 0 GIABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc2c1CCCC2 ZINC000222545308 570413816 /nfs/dbraw/zinc/41/38/16/570413816.db2.gz OKQPVKITSGRFPE-IRXDYDNUSA-N 0 0 394.515 4.500 40 0 GIABRN CCC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222548029 570413854 /nfs/dbraw/zinc/41/38/54/570413854.db2.gz MGSOFCHYTVLFKJ-QFIPXVFZSA-N 0 0 380.532 4.117 40 0 GIABRN CC(C)CNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 ZINC000222554136 570414238 /nfs/dbraw/zinc/41/42/38/570414238.db2.gz QAVWKMMDOXXVRU-KRWDZBQOSA-N 0 0 394.515 4.357 40 0 GIABRN O=C(Nc1ccc(Br)cc1F)c1cnc(-c2ccc(F)cc2)nc1 ZINC000222614215 570416961 /nfs/dbraw/zinc/41/69/61/570416961.db2.gz KHTDDHLIYMGASS-UHFFFAOYSA-N 0 0 390.187 4.437 40 0 GIABRN CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC ZINC000007071303 570417683 /nfs/dbraw/zinc/41/76/83/570417683.db2.gz NQADZOYYKZFBHG-MLJKTZRHSA-N 0 0 376.884 4.492 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 ZINC000222637176 570417943 /nfs/dbraw/zinc/41/79/43/570417943.db2.gz OJKHTQHNKPOEPV-QFIPXVFZSA-N 0 0 398.522 4.399 40 0 GIABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(OC)cc3OC)N21 ZINC000222647024 570418668 /nfs/dbraw/zinc/41/86/68/570418668.db2.gz HSLHXOZSUAVIEN-CJMONDIMSA-N 0 0 399.516 4.087 40 0 GIABRN Cc1ccc(C)c(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222666223 570419590 /nfs/dbraw/zinc/41/95/90/570419590.db2.gz MZIYWIDHGDGZBX-LJQANCHMSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(CCOC)c3C)N21 ZINC000222694112 570421046 /nfs/dbraw/zinc/42/10/46/570421046.db2.gz RFEGYSZMCYBGIJ-PWIZWCRZSA-N 0 0 384.549 4.126 40 0 GIABRN Cc1ccccc1CN(C(=O)Cc1ccccc1F)[C@H](C)C(=O)NC(C)(C)C ZINC000222712169 570421881 /nfs/dbraw/zinc/42/18/81/570421881.db2.gz VZNDUBXLMJZRCD-QGZVFWFLSA-N 0 0 384.495 4.009 40 0 GIABRN Cc1ccccc1CN(C(=O)Cc1ccccc1F)[C@@H](C)C(=O)NC(C)(C)C ZINC000222712100 570421901 /nfs/dbraw/zinc/42/19/01/570421901.db2.gz VZNDUBXLMJZRCD-KRWDZBQOSA-N 0 0 384.495 4.009 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 ZINC000222721688 570422335 /nfs/dbraw/zinc/42/23/35/570422335.db2.gz DUHZKXXWGROLPT-AWEZNQCLSA-N 0 0 393.314 4.008 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222735327 570423057 /nfs/dbraw/zinc/42/30/57/570423057.db2.gz NOVIIGGABVTYER-HXUWFJFHSA-N 0 0 394.559 4.486 40 0 GIABRN CC(C)(C)c1ccc(-c2noc(CNC(=O)CCc3ccc(F)cc3)n2)cc1 ZINC000222745013 570423442 /nfs/dbraw/zinc/42/34/42/570423442.db2.gz IBOLVHRFVKBOEE-UHFFFAOYSA-N 0 0 381.451 4.422 40 0 GIABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccco2)c1C ZINC000222775182 570425295 /nfs/dbraw/zinc/42/52/95/570425295.db2.gz CCHGVDUGAHCZSM-VQTJNVASSA-N 0 0 380.517 4.134 40 0 GIABRN CCOc1ccc(CNC(=O)COc2ccccc2C(C)(C)C)cc1OCC ZINC000222796052 570426154 /nfs/dbraw/zinc/42/61/54/570426154.db2.gz XCSVRRANCZSSND-UHFFFAOYSA-N 0 0 385.504 4.477 40 0 GIABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Br)s1 ZINC000222814462 570427362 /nfs/dbraw/zinc/42/73/62/570427362.db2.gz VCEGRQBPLDHFSP-ZIAGYGMSSA-N 0 0 382.352 4.287 40 0 GIABRN Cc1cc(F)ccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000007472786 570427737 /nfs/dbraw/zinc/42/77/37/570427737.db2.gz MNNYRKBALSDHHJ-LBPRGKRZSA-N 0 0 380.341 4.145 40 0 GIABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F ZINC000222840621 570428519 /nfs/dbraw/zinc/42/85/19/570428519.db2.gz WBCZZZNUXTYNGA-WOJBJXKFSA-N 0 0 380.492 4.392 40 0 GIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 ZINC000222886481 570430132 /nfs/dbraw/zinc/43/01/32/570430132.db2.gz WGQWCPHNKMHPLA-VQTJNVASSA-N 0 0 380.492 4.394 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000222922638 570431454 /nfs/dbraw/zinc/43/14/54/570431454.db2.gz XULWCXBVVCPVRR-HXUWFJFHSA-N 0 0 384.545 4.031 40 0 GIABRN COc1cc(CN(C)C(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000222943815 570432368 /nfs/dbraw/zinc/43/23/68/570432368.db2.gz FVIBWTLXAXALCW-UHFFFAOYSA-N 0 0 384.259 4.291 40 0 GIABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cn1 ZINC000222953435 570432888 /nfs/dbraw/zinc/43/28/88/570432888.db2.gz XEBZIWOXEQWURE-SFTDATJTSA-N 0 0 391.544 4.348 40 0 GIABRN CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1C ZINC000222956944 570433202 /nfs/dbraw/zinc/43/32/02/570433202.db2.gz KFFNGRSDESGRSX-MRXNPFEDSA-N 0 0 381.472 4.457 40 0 GIABRN C[C@@H](C(=O)Nc1cccc(Cl)c1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000005293216 570433278 /nfs/dbraw/zinc/43/32/78/570433278.db2.gz COIMLJYKTJQHDD-LBPRGKRZSA-N 0 0 386.860 4.029 40 0 GIABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 ZINC000222977486 570434568 /nfs/dbraw/zinc/43/45/68/570434568.db2.gz HUQCGTGADBDEAA-RTWAWAEBSA-N 0 0 392.528 4.351 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C)c(C)c1 ZINC000222979144 570434642 /nfs/dbraw/zinc/43/46/42/570434642.db2.gz INIBRSHXNBKNAA-FQEVSTJZSA-N 0 0 396.531 4.016 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)ccc1C ZINC000222983245 570434887 /nfs/dbraw/zinc/43/48/87/570434887.db2.gz NFBHHTGXPZYHMN-FQEVSTJZSA-N 0 0 396.531 4.016 40 0 GIABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000222990146 570435455 /nfs/dbraw/zinc/43/54/55/570435455.db2.gz DUJFWCROBQXUBM-NRFANRHFSA-N 0 0 381.516 4.325 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C ZINC000222995539 570435818 /nfs/dbraw/zinc/43/58/18/570435818.db2.gz NPLITXPWTMJNLF-HXUWFJFHSA-N 0 0 396.531 4.016 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1 ZINC000223027764 570438358 /nfs/dbraw/zinc/43/83/58/570438358.db2.gz QMRGKEXHELYISL-IRXDYDNUSA-N 0 0 386.923 4.215 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 ZINC000223044070 570439407 /nfs/dbraw/zinc/43/94/07/570439407.db2.gz LXMIFELYZJWUPP-NRFANRHFSA-N 0 0 394.559 4.488 40 0 GIABRN CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CC ZINC000223052792 570440176 /nfs/dbraw/zinc/44/01/76/570440176.db2.gz KWNMYQSVWIUYEF-JOCHJYFZSA-N 0 0 380.532 4.343 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)CCc2ccc(OC)c(C)c2)cc1Cl ZINC000223057145 570440613 /nfs/dbraw/zinc/44/06/13/570440613.db2.gz SQPBBEPKPKBTNG-UHFFFAOYSA-N 0 0 375.852 4.405 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223062831 570441149 /nfs/dbraw/zinc/44/11/49/570441149.db2.gz ZPBLPXXDJQYFGK-OAQYLSRUSA-N 0 0 398.572 4.339 40 0 GIABRN COc1ccc(CCC(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1C ZINC000223074374 570441508 /nfs/dbraw/zinc/44/15/08/570441508.db2.gz BXIRYUUSHRJXMJ-UHFFFAOYSA-N 0 0 399.878 4.298 40 0 GIABRN O=C(CSCc1ccccc1Cl)Nc1ccc(N2CCOCC2)cc1 ZINC000027762653 570442229 /nfs/dbraw/zinc/44/22/29/570442229.db2.gz RUPZHSIGTBCRFI-UHFFFAOYSA-N 0 0 376.909 4.049 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 ZINC000223094273 570442846 /nfs/dbraw/zinc/44/28/46/570442846.db2.gz IYBDRSASIDSQDQ-IBGZPJMESA-N 0 0 398.572 4.421 40 0 GIABRN O=C(CCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1ccccc1Cl ZINC000027825700 570444418 /nfs/dbraw/zinc/44/44/18/570444418.db2.gz SDYMBCMXQOLWQJ-UHFFFAOYSA-N 0 0 378.815 4.118 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1cc(C)cc(C)c1 ZINC000223141782 570446428 /nfs/dbraw/zinc/44/64/28/570446428.db2.gz AOPOWEWVYPLUMP-RBUKOAKNSA-N 0 0 398.522 4.317 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1cc(C)cc(C)c1 ZINC000223141886 570446823 /nfs/dbraw/zinc/44/68/23/570446823.db2.gz AOPOWEWVYPLUMP-OALUTQOASA-N 0 0 398.522 4.317 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 ZINC000223178441 570448314 /nfs/dbraw/zinc/44/83/14/570448314.db2.gz TVZZJMYXCHXZTK-FQEVSTJZSA-N 0 0 386.923 4.134 40 0 GIABRN COc1ccc2cc(S(=O)(=O)N[C@@H](C)c3ccc4c(c3)CCC4)ccc2c1 ZINC000223254242 570453386 /nfs/dbraw/zinc/45/33/86/570453386.db2.gz BPEUACPZKHWKHW-HNNXBMFYSA-N 0 0 381.497 4.377 40 0 GIABRN O[C@@H]1[C@@H](Cc2ccc(OC(F)F)cc2)SC(=S)N1Cc1ccccc1 ZINC000225392903 570455889 /nfs/dbraw/zinc/45/58/89/570455889.db2.gz GIQPGEWJDFGHGH-HZPDHXFCSA-N 0 0 381.469 4.051 40 0 GIABRN Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000223318833 570458105 /nfs/dbraw/zinc/45/81/05/570458105.db2.gz YHWDOUBCOBJXSM-UHFFFAOYSA-N 0 0 396.424 4.023 40 0 GIABRN CCOC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4ccccc4o3)c2)C1 ZINC000045887384 570458704 /nfs/dbraw/zinc/45/87/04/570458704.db2.gz NCNOQIZUZHPUBH-GFCCVEGCSA-N 0 0 384.819 4.064 40 0 GIABRN COc1cc2nc(-c3cncc(Br)c3)oc2c(Br)c1 ZINC000045920262 570459026 /nfs/dbraw/zinc/45/90/26/570459026.db2.gz HXHGKIBIGYVNHT-UHFFFAOYSA-N 0 0 384.027 4.423 40 0 GIABRN Cc1ccc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)c(C)c1 ZINC000223355996 570461311 /nfs/dbraw/zinc/46/13/11/570461311.db2.gz ASFQAQNBTWLGNP-UHFFFAOYSA-N 0 0 386.249 4.046 40 0 GIABRN CCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223367907 570462226 /nfs/dbraw/zinc/46/22/26/570462226.db2.gz FAIWMYANMGKLOD-SIKLNZKXSA-N 0 0 380.532 4.260 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1Cc1ccccn1 ZINC000223521950 570469551 /nfs/dbraw/zinc/46/95/51/570469551.db2.gz PFGQQNYHHPUMCR-DLBZAZTESA-N 0 0 386.933 4.364 40 0 GIABRN CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1 ZINC000223524659 570469631 /nfs/dbraw/zinc/46/96/31/570469631.db2.gz PWZJIAHZGVNVJS-WOJBJXKFSA-N 0 0 377.517 4.032 40 0 GIABRN CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccn1 ZINC000223544759 570470479 /nfs/dbraw/zinc/47/04/79/570470479.db2.gz AKCGOSDTNXYOCN-UXHICEINSA-N 0 0 377.517 4.032 40 0 GIABRN COc1ccc(CN(C(=O)C(C)C)[C@H](C(=O)NCC(C)C)c2ccccc2)cc1 ZINC000223553641 570471267 /nfs/dbraw/zinc/47/12/67/570471267.db2.gz MTERNUXATBZKEG-QFIPXVFZSA-N 0 0 396.531 4.193 40 0 GIABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2F)c(C)c1 ZINC000006281745 570475666 /nfs/dbraw/zinc/47/56/66/570475666.db2.gz ZMDVBOLICVADSO-UHFFFAOYSA-N 0 0 381.270 4.332 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 ZINC000223710693 570480679 /nfs/dbraw/zinc/48/06/79/570480679.db2.gz YXXWJCOHFDFFTQ-KRWDZBQOSA-N 0 0 386.923 4.134 40 0 GIABRN CC(C)CNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc2c1CCCC2 ZINC000223722744 570481618 /nfs/dbraw/zinc/48/16/18/570481618.db2.gz PGELNXMIBNLUNT-KRWDZBQOSA-N 0 0 394.515 4.357 40 0 GIABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1Cl ZINC000030757518 570495654 /nfs/dbraw/zinc/49/56/54/570495654.db2.gz INGVIOMYNRLIRF-UHFFFAOYSA-N 0 0 393.679 4.271 40 0 GIABRN CCOc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Br)cc2)cc1 ZINC000030865002 570499684 /nfs/dbraw/zinc/49/96/84/570499684.db2.gz UMJOGNQPAOPEMI-CYBMUJFWSA-N 0 0 398.322 4.028 40 0 GIABRN O=Cc1cc(-c2cc(C(=O)OCc3ccccc3)cc([N+](=O)[O-])c2)ccc1O ZINC000096312891 570501064 /nfs/dbraw/zinc/50/10/64/570501064.db2.gz FXOJMGFDDMFLOH-UHFFFAOYSA-N 0 0 377.352 4.137 40 0 GIABRN O=C(C1CCN(Cc2ccc(Br)cc2)CC1)N1CCc2ccccc21 ZINC000030946936 570501847 /nfs/dbraw/zinc/50/18/47/570501847.db2.gz CCUCOHRMYNYCMM-UHFFFAOYSA-N 0 0 399.332 4.250 40 0 GIABRN COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3C)o2)cc1 ZINC000000873460 570503364 /nfs/dbraw/zinc/50/33/64/570503364.db2.gz LSTMQIWNKPAGES-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN CCC(=O)Nc1sc(C(=O)Nc2ccc(C)c(Cl)c2)c(C)c1C(=O)OC ZINC000000876864 570504047 /nfs/dbraw/zinc/50/40/47/570504047.db2.gz BRNAACXDGKLSDC-UHFFFAOYSA-N 0 0 394.880 4.406 40 0 GIABRN COc1ccc([C@H]2c3cc4c(cc3O[C@H](N3CCCC3)[C@H]2C)OCO4)c(OC)c1 ZINC000031430155 570504674 /nfs/dbraw/zinc/50/46/74/570504674.db2.gz CWGZLDXNHSPGLY-CVRXJBIPSA-N 0 0 397.471 4.015 40 0 GIABRN COc1ccc(-c2nnc(SCC(=O)c3ccc(C)c(C)c3)o2)cc1OC ZINC000000882424 570508236 /nfs/dbraw/zinc/50/82/36/570508236.db2.gz QGASEQWMGRWAHN-UHFFFAOYSA-N 0 0 384.457 4.346 40 0 GIABRN COC(=O)CCCCCCCCCCNC(=O)c1cc(OC)cc(OC)c1 ZINC000032109275 570508655 /nfs/dbraw/zinc/50/86/55/570508655.db2.gz KMRGXAVWXBFLHI-UHFFFAOYSA-N 0 0 379.497 4.118 40 0 GIABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 ZINC000032675515 570513129 /nfs/dbraw/zinc/51/31/29/570513129.db2.gz WCSRSXKNTFFCKD-UHFFFAOYSA-N 0 0 380.425 4.210 40 0 GIABRN Cc1cccc(-c2noc(CNC(=O)COc3ccc(Cl)cc3Cl)n2)c1 ZINC000007721140 570513392 /nfs/dbraw/zinc/51/33/92/570513392.db2.gz ZTGWCKRMXBWUBL-UHFFFAOYSA-N 0 0 392.242 4.047 40 0 GIABRN COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)ccc1Cl ZINC000224460149 570514071 /nfs/dbraw/zinc/51/40/71/570514071.db2.gz IRLFUUNVIIYUBU-CYBMUJFWSA-N 0 0 387.863 4.411 40 0 GIABRN COc1ccc(C(=O)NCCc2ccccc2)cc1COCc1ccccc1 ZINC000224458188 570514252 /nfs/dbraw/zinc/51/42/52/570514252.db2.gz OXEJEVUTLGSCPB-UHFFFAOYSA-N 0 0 375.468 4.385 40 0 GIABRN CC(=O)Nc1sc2c(c1[C@H](c1cccc(F)c1)N1CCOCC1)CCCC2 ZINC000020192265 570514647 /nfs/dbraw/zinc/51/46/47/570514647.db2.gz WWTVGIDTKWAUNX-FQEVSTJZSA-N 0 0 388.508 4.146 40 0 GIABRN O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000000908035 570517348 /nfs/dbraw/zinc/51/73/48/570517348.db2.gz LGZZBKYHNQDACC-SFHVURJKSA-N 0 0 397.858 4.268 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000224730074 570527475 /nfs/dbraw/zinc/52/74/75/570527475.db2.gz SFVAQDZUKNFVOF-HXUWFJFHSA-N 0 0 380.532 4.098 40 0 GIABRN C[C@H]1CC[C@H](C)N(C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)C1 ZINC000000918197 570534113 /nfs/dbraw/zinc/53/41/13/570534113.db2.gz XSNOFYJMPPDSQK-RYUDHWBXSA-N 0 0 392.381 4.269 40 0 GIABRN O=C(Nc1cccc(O)c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000000919485 570534695 /nfs/dbraw/zinc/53/46/95/570534695.db2.gz CIKINHUFTACVTF-SWLSCSKDSA-N 0 0 392.337 4.094 40 0 GIABRN Cc1ccc(N2C(=O)CS(=O)(=O)[C@@H]2c2ccc(Oc3ccccc3)cc2)cc1 ZINC000001083160 570537106 /nfs/dbraw/zinc/53/71/06/570537106.db2.gz SBOPPHPYUBJPSZ-JOCHJYFZSA-N 0 0 393.464 4.248 40 0 GIABRN Cc1cc2cc3c(cc2nc1SCC(=O)N1c2ccccc2C[C@@H]1C)OCO3 ZINC000000930028 570540238 /nfs/dbraw/zinc/54/02/38/570540238.db2.gz XQAPDTFZWAMSEY-AWEZNQCLSA-N 0 0 392.480 4.342 40 0 aggregator GIABRN Cc1ccc2[nH]c(=O)c(-c3nc4ccc(C)cn4c3NC[C@H]3CCCO3)cc2c1 ZINC000035288812 570551142 /nfs/dbraw/zinc/55/11/42/570551142.db2.gz XUBWWHIDPGHVRR-QGZVFWFLSA-N 0 0 388.471 4.051 40 0 GIABRN Cc1[nH]c2ccc(-c3nnc(SCC(=O)N4CCCCCC4)o3)cc2c1C ZINC000001223312 570565000 /nfs/dbraw/zinc/56/50/00/570565000.db2.gz WPANUQKHXSDZCY-UHFFFAOYSA-N 0 0 384.505 4.329 40 0 GIABRN Cc1[nH]c2ccc(-c3nnc(SCC(=O)N4CCCC[C@@H]4C)o3)cc2c1C ZINC000001223290 570565029 /nfs/dbraw/zinc/56/50/29/570565029.db2.gz PNIIXPMSIFFCSI-LBPRGKRZSA-N 0 0 384.505 4.328 40 0 GIABRN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(F)c2)cc1 ZINC000001324670 570566451 /nfs/dbraw/zinc/56/64/51/570566451.db2.gz FAHRKIQWVZFTJA-UHFFFAOYSA-N 0 0 390.480 4.031 40 0 GIABRN CCc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc3ccccc3oc2=O)cc1 ZINC000001330127 570567751 /nfs/dbraw/zinc/56/77/51/570567751.db2.gz WRMCTULXROAEGO-HXUWFJFHSA-N 0 0 391.467 4.177 40 0 GIABRN CC(=O)Nc1cccc(NC(=O)CSc2nc(C3CC3)nc3ccccc32)c1 ZINC000001332699 570569124 /nfs/dbraw/zinc/56/91/24/570569124.db2.gz CGKGDAQHVNJJNE-UHFFFAOYSA-N 0 0 392.484 4.196 40 0 GIABRN CC(C)(C)NC(=O)CSc1nc(C2CC2)nc2sc3c(c21)CCCC3 ZINC000001332783 570569372 /nfs/dbraw/zinc/56/93/72/570569372.db2.gz RXMHQISSTSOGJG-UHFFFAOYSA-N 0 0 375.563 4.454 40 0 GIABRN CN(C)C(=S)c1ccc(-c2ccc(I)cc2Cl)o1 ZINC000040542490 570571206 /nfs/dbraw/zinc/57/12/06/570571206.db2.gz DEHUSFVAFUJXLV-UHFFFAOYSA-N 0 0 391.661 4.442 40 0 GIABRN CC(=O)c1cccc(NC(=O)N2CCC[C@H]2C(=O)Nc2cccc(C)c2C)c1 ZINC000001343586 570571400 /nfs/dbraw/zinc/57/14/00/570571400.db2.gz ROKOHWWCELWJJC-FQEVSTJZSA-N 0 0 379.460 4.141 40 0 GIABRN Cc1ccc2nc3sc(C(=O)Nc4ccc5c(c4)OCO5)c(N)c3cc2c1 ZINC000001342751 570571474 /nfs/dbraw/zinc/57/14/74/570571474.db2.gz VTKZIVIORDZVGU-UHFFFAOYSA-N 0 0 377.425 4.321 40 0 GIABRN CCN(CC)C(=O)CSc1ncnc2c(-c3ccc(Cl)cc3)nsc21 ZINC000001358681 570575267 /nfs/dbraw/zinc/57/52/67/570575267.db2.gz AFKUFQKMYQVVPB-UHFFFAOYSA-N 0 0 392.937 4.367 40 0 GIABRN CCCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1cccnc1 ZINC000001361252 570576114 /nfs/dbraw/zinc/57/61/14/570576114.db2.gz BVASWNAQLCODOO-INIZCTEOSA-N 0 0 395.532 4.486 40 0 GIABRN CCCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccccn1 ZINC000001362667 570576901 /nfs/dbraw/zinc/57/69/01/570576901.db2.gz XYMRGYDVTFTJNZ-UHFFFAOYSA-N 0 0 381.505 4.098 40 0 GIABRN Cc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(F)cc4F)C3)n2)cc1 ZINC000001363174 570577709 /nfs/dbraw/zinc/57/77/09/570577709.db2.gz VZJMGASZSZFIGN-OAHLLOKOSA-N 0 0 383.398 4.343 40 0 GIABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)C(F)(F)F)C2CC2)s1 ZINC000001365923 570578836 /nfs/dbraw/zinc/57/88/36/570578836.db2.gz DKNJJTLHTWTBIJ-HNNXBMFYSA-N 0 0 388.455 4.100 40 0 GIABRN CCC(=O)N1c2ccc(-c3csc(NC(=O)c4ccncc4)n3)cc2C[C@@H]1C ZINC000001366671 570579750 /nfs/dbraw/zinc/57/97/50/570579750.db2.gz GJEPCYIJRGMXKK-ZDUSSCGKSA-N 0 0 392.484 4.145 40 0 GIABRN Cc1nc(NC(=O)COc2ccccc2)sc1C(=O)Nc1ccccc1C ZINC000001378918 570582815 /nfs/dbraw/zinc/58/28/15/570582815.db2.gz ZRYNVDXPYONASQ-UHFFFAOYSA-N 0 0 381.457 4.030 40 0 GIABRN Cc1cccc(C(=O)N2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)c1 ZINC000001380548 570583487 /nfs/dbraw/zinc/58/34/87/570583487.db2.gz FRGNKRFBKKAWNK-UHFFFAOYSA-N 0 0 388.393 4.236 40 0 GIABRN COc1ccc(CNC(=O)[C@H](OC(=O)c2cccs2)c2ccc(F)cc2)cc1 ZINC000001381252 570583936 /nfs/dbraw/zinc/58/39/36/570583936.db2.gz GUMSVIIIWAJOHD-LJQANCHMSA-N 0 0 399.443 4.110 40 0 GIABRN C[C@@H]1CCCN(C(=O)CSc2nc3ccccc3n2Cc2ccccc2)C1 ZINC000001381380 570584018 /nfs/dbraw/zinc/58/40/18/570584018.db2.gz FLJHREFWURDUQH-QGZVFWFLSA-N 0 0 379.529 4.435 40 0 GIABRN Cc1ccccc1NC(=O)CSc1nnc(NC(=O)C2CCCCC2)s1 ZINC000001381613 570584460 /nfs/dbraw/zinc/58/44/60/570584460.db2.gz RJXWCWZWQUUEDU-UHFFFAOYSA-N 0 0 390.534 4.096 40 0 GIABRN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc(OCC)c1 ZINC000040180427 570596544 /nfs/dbraw/zinc/59/65/44/570596544.db2.gz OCYVUFMHPPHHAS-FQEVSTJZSA-N 0 0 377.444 4.287 40 0 GIABRN C[C@]12C[C@H](NC(=S)N1c1ccccc1)c1cc(Br)ccc1O2 ZINC000040374161 570598629 /nfs/dbraw/zinc/59/86/29/570598629.db2.gz LSHRLGZBKVOISS-YOEHRIQHSA-N 0 0 375.291 4.384 40 0 GIABRN CC(C)C[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000101062237 570617471 /nfs/dbraw/zinc/61/74/71/570617471.db2.gz BIBIMNXLUWFCTR-OTWHNJEPSA-N 0 0 384.863 4.065 40 0 GIABRN Cc1ccc2cc(CN(Cc3cccs3)C(=S)NCC(C)C)c(=O)[nH]c2c1 ZINC000004134114 570618699 /nfs/dbraw/zinc/61/86/99/570618699.db2.gz OACLGRRWADZXQF-UHFFFAOYSA-N 0 0 399.585 4.431 40 0 GIABRN CCCCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccnc1 ZINC000004161412 570620143 /nfs/dbraw/zinc/62/01/43/570620143.db2.gz QMAPMJBGYOXRMQ-UHFFFAOYSA-N 0 0 385.468 4.010 40 0 GIABRN CCCCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nnc1-c1ccncc1 ZINC000004161379 570620228 /nfs/dbraw/zinc/62/02/28/570620228.db2.gz SLEKEFMOSPJOSV-HZPDHXFCSA-N 0 0 387.553 4.022 40 0 GIABRN CCCCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1ccco1 ZINC000004161503 570620608 /nfs/dbraw/zinc/62/06/08/570620608.db2.gz ATECGKSGHOVTEI-UHFFFAOYSA-N 0 0 391.522 4.142 40 0 GIABRN Cc1ccc(C(=O)CSc2nnc3c(C)cc4cc5c(cc4n23)OCO5)cc1 ZINC000004215600 570623341 /nfs/dbraw/zinc/62/33/41/570623341.db2.gz HIFZJSOLMUXJQZ-UHFFFAOYSA-N 0 0 391.452 4.203 40 0 GIABRN C[C@H]1[C@H](NC(=O)COC(=O)/C=C/c2ccc(C(F)(F)F)cc2)CCC[C@@H]1C ZINC000004779053 570633066 /nfs/dbraw/zinc/63/30/66/570633066.db2.gz CNIVVOBIMPWAMH-RAGAVSCPSA-N 0 0 383.410 4.203 40 0 GIABRN CCc1cc2cccc(C)c2nc1SCC(=O)NCc1ccc2c(c1)OCO2 ZINC000004849283 570635663 /nfs/dbraw/zinc/63/56/63/570635663.db2.gz FTVNNUZEXZVAAC-UHFFFAOYSA-N 0 0 394.496 4.243 40 0 GIABRN O=C(CSc1nc2cccnc2n1Cc1ccccc1)Nc1ccc(F)cc1 ZINC000004852577 570637876 /nfs/dbraw/zinc/63/78/76/570637876.db2.gz LXBHETKAPSOSSM-UHFFFAOYSA-N 0 0 392.459 4.350 40 0 GIABRN Cc1cccc(C(=O)NC2CCN(C(=S)Nc3cc(C)ccc3C)CC2)c1 ZINC000004857531 570638776 /nfs/dbraw/zinc/63/87/76/570638776.db2.gz HLXMVOITDQHXRW-UHFFFAOYSA-N 0 0 381.545 4.203 40 0 GIABRN Cc1nc2ccc(C)cn2c1C(=O)Nc1ccc(Cc2noc(C(C)C)n2)cc1 ZINC000226096352 570641560 /nfs/dbraw/zinc/64/15/60/570641560.db2.gz GYUPKMURIDCEMV-UHFFFAOYSA-N 0 0 389.459 4.301 40 0 GIABRN CCC(=O)N(Cc1cc2cccc(C)c2n2nnnc12)Cc1ccccc1Cl ZINC000004878266 570641848 /nfs/dbraw/zinc/64/18/48/570641848.db2.gz IKBTVBVSKDSLSQ-UHFFFAOYSA-N 0 0 393.878 4.178 40 0 GIABRN COCCN(Cc1cc2cc(C)ccc2nc1Cl)C(=O)c1ccc(OC)cc1 ZINC000004880607 570642174 /nfs/dbraw/zinc/64/21/74/570642174.db2.gz FHLNHHSAQTWLNJ-UHFFFAOYSA-N 0 0 398.890 4.494 40 0 GIABRN COc1cc(C(=O)NCCSCc2ccc(Cl)cc2)cc(OC)c1OC ZINC000032341480 570643045 /nfs/dbraw/zinc/64/30/45/570643045.db2.gz GGLVNIBXKPEUIO-UHFFFAOYSA-N 0 0 395.908 4.029 40 0 GIABRN O=C(Nc1ccccc1F)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004888470 570643240 /nfs/dbraw/zinc/64/32/40/570643240.db2.gz HJVZFBJDDKBHCX-UHFFFAOYSA-N 0 0 399.510 4.155 40 0 GIABRN C[C@@H]1Cc2cc(-c3csc(NC(=O)c4ccco4)n3)ccc2N1C(=O)C1CC1 ZINC000004893550 570644288 /nfs/dbraw/zinc/64/42/88/570644288.db2.gz GQESTTMQNOCEBG-GFCCVEGCSA-N 0 0 393.468 4.343 40 0 GIABRN CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000033565867 570645723 /nfs/dbraw/zinc/64/57/23/570645723.db2.gz KSDPIXBVRZCMOK-NRFANRHFSA-N 0 0 380.488 4.499 40 0 GIABRN Cc1ccc2[nH]c(-c3ccc(SCC(=O)NC4CCCCC4)nc3)nc2c1 ZINC000004903403 570647006 /nfs/dbraw/zinc/64/70/06/570647006.db2.gz QHAIBOWVAMJJOY-UHFFFAOYSA-N 0 0 380.517 4.474 40 0 GIABRN CCn1c(SCCOc2ccc(OC)cc2)nnc1-c1ccc(OC)cc1 ZINC000004998645 570650556 /nfs/dbraw/zinc/65/05/56/570650556.db2.gz HJPQJSWBZAHLAG-UHFFFAOYSA-N 0 0 385.489 4.153 40 0 GIABRN COc1cccc(Cn2cc(C)cc(NC(=O)c3cccc(Cl)c3)c2=O)c1 ZINC000005000911 570651506 /nfs/dbraw/zinc/65/15/06/570651506.db2.gz MNYBWDSRBKGJEM-UHFFFAOYSA-N 0 0 382.847 4.119 40 0 GIABRN O=C(CSc1nnc(COc2ccccc2)o1)Nc1ccc(F)c(Cl)c1 ZINC000059200425 570651645 /nfs/dbraw/zinc/65/16/45/570651645.db2.gz AVFSDLHVEYMRAK-UHFFFAOYSA-N 0 0 393.827 4.172 40 0 GIABRN O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)[nH]c(=O)n2Cc1ccc(F)cc1 ZINC000005001830 570651823 /nfs/dbraw/zinc/65/18/23/570651823.db2.gz WLIWSJUXHUKFHI-UHFFFAOYSA-N 0 0 397.356 4.048 40 0 GIABRN Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccccc3C(F)(F)F)CC2=O)c1 ZINC000059227250 570652139 /nfs/dbraw/zinc/65/21/39/570652139.db2.gz BXSMMQUJNGRBGI-CQSZACIVSA-N 0 0 376.378 4.314 40 0 GIABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3C)CC2=O)cc1 ZINC000059227219 570652146 /nfs/dbraw/zinc/65/21/46/570652146.db2.gz RKZOBUBQWWZEAE-AWEZNQCLSA-N 0 0 387.277 4.058 40 0 GIABRN COc1c(C)cc(Br)cc1C(=O)Nc1c2nsnc2ccc1C ZINC000059294176 570653358 /nfs/dbraw/zinc/65/33/58/570653358.db2.gz JRPGOKVFMPSDSX-UHFFFAOYSA-N 0 0 392.278 4.332 40 0 GIABRN O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000004967880 570654642 /nfs/dbraw/zinc/65/46/42/570654642.db2.gz GGIGXRLDZYZKCJ-HNNXBMFYSA-N 0 0 385.920 4.483 40 0 GIABRN O=C(NCc1ccc2c(c1)OCO2)c1cc2sccc2n1Cc1ccccc1 ZINC000004970916 570654975 /nfs/dbraw/zinc/65/49/75/570654975.db2.gz YMOBKMABJCZCDA-UHFFFAOYSA-N 0 0 390.464 4.410 40 0 GIABRN C[C@H]1C[C@H](C(F)F)n2nc(C(=O)Nc3ccccc3Cc3ccccc3)nc2N1 ZINC000005023496 570657702 /nfs/dbraw/zinc/65/77/02/570657702.db2.gz OZRWDVDELKMXEB-SUMWQHHRSA-N 0 0 397.429 4.132 40 0 GIABRN CCCOC(=O)c1cc(-c2ccc(/C=C3\SC(=N)NC3=O)o2)ccc1Cl ZINC000005027428 570658249 /nfs/dbraw/zinc/65/82/49/570658249.db2.gz LODVKLPMWISFBE-DHDCSXOGSA-N 0 0 390.848 4.305 40 0 GIABRN COc1ccc([C@H]2C[C@]3(CC(C)(C)NC(=S)N3)Oc3cc(O)cc(C)c32)cc1 ZINC000008686937 570681321 /nfs/dbraw/zinc/68/13/21/570681321.db2.gz YKCPJOFNMLHJSR-VGOFRKELSA-N 0 0 398.528 4.378 40 0 GIABRN COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1OC(C)C ZINC000260753087 570702958 /nfs/dbraw/zinc/70/29/58/570702958.db2.gz BHGHHGMZLLCPLQ-VOBQZIQPSA-N 0 0 383.517 4.467 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3cccnc3)N21 ZINC000260759286 570702986 /nfs/dbraw/zinc/70/29/86/570702986.db2.gz FVAZVMPPMJHMDD-XPGWFJOJSA-N 0 0 375.501 4.247 40 0 GIABRN COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c1 ZINC000260784071 570705218 /nfs/dbraw/zinc/70/52/18/570705218.db2.gz USKPCIBNNHDMKF-IPHXSNPTSA-N 0 0 390.512 4.470 40 0 GIABRN CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(Cl)cc1O ZINC000260775160 570705256 /nfs/dbraw/zinc/70/52/56/570705256.db2.gz POXDYZYAWZCDCW-HWOJHCLVSA-N 0 0 389.908 4.429 40 0 GIABRN Cc1ccc(C(C)C)c(OCC(=O)NCCCN2c3ccccc3C[C@H]2C)c1 ZINC000260790505 570705956 /nfs/dbraw/zinc/70/59/56/570705956.db2.gz BWWRJJWCUBRJLD-LJQANCHMSA-N 0 0 380.532 4.455 40 0 GIABRN O=S(=O)(NCc1cccc2ccccc21)c1ccc(Br)cc1 ZINC000200049229 570707096 /nfs/dbraw/zinc/70/70/96/570707096.db2.gz KMYUOTINQWPPAD-UHFFFAOYSA-N 0 0 376.275 4.081 40 0 GIABRN Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)Cc2ccccc2)c(C)c1 ZINC000001512698 570715440 /nfs/dbraw/zinc/71/54/40/570715440.db2.gz ZRXUXRLOYSELNJ-UHFFFAOYSA-N 0 0 398.462 4.133 40 0 GIABRN Cc1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102718969 570720672 /nfs/dbraw/zinc/72/06/72/570720672.db2.gz PCNQEOOTUOHJID-BHIFYINESA-N 0 0 384.435 4.046 40 0 GIABRN COc1cc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc(OC)c1OC ZINC000005230047 570731747 /nfs/dbraw/zinc/73/17/47/570731747.db2.gz VCXWGCMTFSTKTK-BOPFTXTBSA-N 0 0 395.455 4.354 40 0 GIABRN Cc1ccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccccc2)cc1 ZINC000005735430 570734516 /nfs/dbraw/zinc/73/45/16/570734516.db2.gz SRJYUWABARPJLK-UHFFFAOYSA-N 0 0 380.517 4.107 40 0 GIABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)Cc2ccccc2)c1 ZINC000006263882 570740456 /nfs/dbraw/zinc/74/04/56/570740456.db2.gz NLXQAUMSIGIBMS-UHFFFAOYSA-N 0 0 389.908 4.134 40 0 GIABRN CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccco1 ZINC000006356621 570741213 /nfs/dbraw/zinc/74/12/13/570741213.db2.gz HVGLQKGADKDWEL-UHFFFAOYSA-N 0 0 396.394 4.308 40 0 GIABRN COc1ccccc1C(=O)NC(=S)Nc1nc2ccc(Cl)cc2s1 ZINC000006762519 570750525 /nfs/dbraw/zinc/75/05/25/570750525.db2.gz UBTRAAGBFIIKNE-UHFFFAOYSA-N 0 0 377.878 4.085 40 0 GIABRN COC(=O)CSc1nnc2c(n1)n1c3c2c(C)c(C)cc3C(C)=CC1(C)C ZINC000007449497 570759133 /nfs/dbraw/zinc/75/91/33/570759133.db2.gz WUFHQCSSPZKDNH-UHFFFAOYSA-N 0 0 382.489 4.013 40 0 GIABRN CCOc1cc(CNn2cnnc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000007602484 570760829 /nfs/dbraw/zinc/76/08/29/570760829.db2.gz KFGUJGCLBCAKPA-UHFFFAOYSA-N 0 0 393.274 4.306 40 0 GIABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000007882245 570762872 /nfs/dbraw/zinc/76/28/72/570762872.db2.gz OVIZJJZMCHXBGX-LLVKDONJSA-N 0 0 382.769 4.350 40 0 GIABRN Cc1ccccc1CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccco1)C3 ZINC000013634333 570764625 /nfs/dbraw/zinc/76/46/25/570764625.db2.gz YQUMWPUULJCHHZ-HNNXBMFYSA-N 0 0 390.468 4.231 40 0 GIABRN O=C1C[C@H](c2cccs2)Cc2nc3nc(SCc4ccccc4)nn3cc21 ZINC000013634357 570764803 /nfs/dbraw/zinc/76/48/03/570764803.db2.gz LEKCFUCBGMOJIR-CQSZACIVSA-N 0 0 392.509 4.391 40 0 GIABRN CCc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000008033317 570765586 /nfs/dbraw/zinc/76/55/86/570765586.db2.gz CDCTYUDTZRRXSF-UHFFFAOYSA-N 0 0 380.469 4.302 40 0 GIABRN CCc1n[nH]c(=S)n1NCc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000008339122 570768155 /nfs/dbraw/zinc/76/81/55/570768155.db2.gz RVCOVAMHPVEHGN-UHFFFAOYSA-N 0 0 384.505 4.143 40 0 GIABRN COc1ccc(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1OC ZINC000013669003 570769930 /nfs/dbraw/zinc/76/99/30/570769930.db2.gz JQEAPTSLXMEFNT-UHFFFAOYSA-N 0 0 395.430 4.352 40 0 GIABRN Cc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c1 ZINC000013674587 570771678 /nfs/dbraw/zinc/77/16/78/570771678.db2.gz XXGGLUMDWSWUBM-UHFFFAOYSA-N 0 0 394.496 4.034 40 0 GIABRN O=S(=O)(NCCCc1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000013675233 570771810 /nfs/dbraw/zinc/77/18/10/570771810.db2.gz WDMKQIZXDFXPDT-UHFFFAOYSA-N 0 0 394.743 4.075 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1F)c1ccc(F)cc1 ZINC000008810814 570773166 /nfs/dbraw/zinc/77/31/66/570773166.db2.gz VJMCEBISXHWXBJ-UHFFFAOYSA-N 0 0 388.395 4.018 40 0 GIABRN O=C(c1ccccc1OCc1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000013687113 570774373 /nfs/dbraw/zinc/77/43/73/570774373.db2.gz VKELCARVVODYKR-UHFFFAOYSA-N 0 0 390.458 4.367 40 0 GIABRN Fc1ccc(-c2nn3c(nnc3-c3ccsc3)s2)cc1Br ZINC000066088298 570776785 /nfs/dbraw/zinc/77/67/85/570776785.db2.gz UIIFMWJBPMVWJZ-UHFFFAOYSA-N 0 0 381.255 4.483 40 0 GIABRN CCOC(=O)c1cnc2nc(-c3cccc(Cl)c3)nn2c1-c1ccccc1 ZINC000009926694 570777477 /nfs/dbraw/zinc/77/74/77/570777477.db2.gz FFPOSGFPZMFTTH-UHFFFAOYSA-N 0 0 378.819 4.288 40 0 GIABRN CC[C@H](C(=O)Nc1cc(Cl)ccc1C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713342 570778546 /nfs/dbraw/zinc/77/85/46/570778546.db2.gz MKLAWLVVANBWFF-GOSISDBHSA-N 0 0 394.924 4.140 40 0 GIABRN Cc1ccc(C)c(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 ZINC000010339100 570789566 /nfs/dbraw/zinc/78/95/66/570789566.db2.gz YSEFAFZPYZJOSA-UHFFFAOYSA-N 0 0 388.533 4.006 40 0 GIABRN CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(SC)cc2)cc1OCC ZINC000010543986 570791921 /nfs/dbraw/zinc/79/19/21/570791921.db2.gz FZXDFMKHWKOFEY-CQSZACIVSA-N 0 0 395.546 4.245 40 0 GIABRN Cc1cccc(NC(=S)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000010846576 570792861 /nfs/dbraw/zinc/79/28/61/570792861.db2.gz KUXBKDIHCWGUAM-UHFFFAOYSA-N 0 0 396.512 4.058 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(OC)cc2)cc1 ZINC000011636978 570796815 /nfs/dbraw/zinc/79/68/15/570796815.db2.gz ULJSGTZGSYUQRA-HXUWFJFHSA-N 0 0 385.460 4.448 40 0 GIABRN Cc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc(C)c1Cl ZINC000013995770 570813334 /nfs/dbraw/zinc/81/33/34/570813334.db2.gz YUUSQPBKKNAJIZ-UHFFFAOYSA-N 0 0 386.879 4.210 40 0 GIABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3)n2C)cc1 ZINC000013871270 570864935 /nfs/dbraw/zinc/86/49/35/570864935.db2.gz OWNBBKUHUNZYFH-HNNXBMFYSA-N 0 0 396.516 4.248 40 0 GIABRN COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OC(=O)c1ccccc1 ZINC000013924966 570867173 /nfs/dbraw/zinc/86/71/73/570867173.db2.gz HZFSXDVVCUWZRD-RGEXLXHISA-N 0 0 399.402 4.259 40 0 GIABRN O=C(NCCc1ccccc1)c1ccccc1NC(=S)Nc1ccccc1 ZINC000013990830 570868181 /nfs/dbraw/zinc/86/81/81/570868181.db2.gz JCRPNKDTGZXQPR-UHFFFAOYSA-N 0 0 375.497 4.468 40 0 GIABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000014007075 570875248 /nfs/dbraw/zinc/87/52/48/570875248.db2.gz RCNXMXOMUAOOFH-OAHLLOKOSA-N 0 0 386.879 4.372 40 0 GIABRN CCCOc1ccccc1C(=O)Nc1ccc(I)cc1 ZINC000014036483 570876468 /nfs/dbraw/zinc/87/64/68/570876468.db2.gz AIOWKDNLIYYDCT-UHFFFAOYSA-N 0 0 381.213 4.332 40 0 GIABRN Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3ccccc3C)n2C)c1 ZINC000014117119 570876909 /nfs/dbraw/zinc/87/69/09/570876909.db2.gz VXSANBOFNXKTEY-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN CCCCNC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000014397811 570883291 /nfs/dbraw/zinc/88/32/91/570883291.db2.gz GOKFDFFKOPHVJL-UHFFFAOYSA-N 0 0 379.504 4.459 40 0 GIABRN Cc1cc(I)ccc1NC(=O)CCCOc1ccccc1 ZINC000014398912 570884035 /nfs/dbraw/zinc/88/40/35/570884035.db2.gz OWPMAUDFMMXKCW-UHFFFAOYSA-N 0 0 395.240 4.397 40 0 GIABRN CC(C)(C)OC(=O)N[C@@H](CNC(=O)OCc1ccccc1)Cc1ccccc1 ZINC000036424494 570884678 /nfs/dbraw/zinc/88/46/78/570884678.db2.gz PCVYKFUFGNYJIF-LJQANCHMSA-N 0 0 384.476 4.049 40 0 GIABRN COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1C ZINC000014400221 570891594 /nfs/dbraw/zinc/89/15/94/570891594.db2.gz FLMSPXRBGFWHSI-CQSZACIVSA-N 0 0 375.852 4.458 40 0 GIABRN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cccc(Br)c1 ZINC000014553343 570892251 /nfs/dbraw/zinc/89/22/51/570892251.db2.gz YXFRYKDTWIWGRH-UHFFFAOYSA-N 0 0 383.698 4.158 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)c1 ZINC000015349578 570892556 /nfs/dbraw/zinc/89/25/56/570892556.db2.gz DLHPRSQCSQXHNR-UHFFFAOYSA-N 0 0 380.469 4.072 40 0 GIABRN COCc1nn2c(nnc3c2C[C@H](c2ccc(C)cc2)CC3=O)c1-c1ccccc1 ZINC000014607738 570893540 /nfs/dbraw/zinc/89/35/40/570893540.db2.gz LHGDDZFUNWFCGQ-SFHVURJKSA-N 0 0 398.466 4.159 40 0 GIABRN Cc1nn2c(nnc3c2C[C@@H](c2ccco2)CC3=O)c1-c1ccc(Cl)cc1 ZINC000014607709 570893708 /nfs/dbraw/zinc/89/37/08/570893708.db2.gz PAAMKHGPWCKNKP-CYBMUJFWSA-N 0 0 378.819 4.259 40 0 GIABRN O=C(Nc1cccc(F)c1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000015414938 570893675 /nfs/dbraw/zinc/89/36/75/570893675.db2.gz BNQVKTFIULCFHZ-UHFFFAOYSA-N 0 0 388.395 4.018 40 0 GIABRN C[C@@H]1CC(C)(C)N2C(=O)[C@]3(SCC(=O)N3c3ccc(F)cc3)c3cccc1c32 ZINC000014671883 570894405 /nfs/dbraw/zinc/89/44/05/570894405.db2.gz ZLJIUTXQPFJWNO-MCMMXHMISA-N 0 0 396.487 4.391 40 0 GIABRN O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)Nc1ccc(F)cc1 ZINC000015049403 570901651 /nfs/dbraw/zinc/90/16/51/570901651.db2.gz GZJZFRUMLZFRKK-DHDCSXOGSA-N 0 0 390.823 4.154 40 0 GIABRN CCOc1cc(C=O)ccc1OCCCSc1nnc(Cc2ccccc2)o1 ZINC000015422798 570906315 /nfs/dbraw/zinc/90/63/15/570906315.db2.gz HKMALIGYLNUDAZ-UHFFFAOYSA-N 0 0 398.484 4.433 40 0 GIABRN CCCc1nn(CC(=O)Nc2c(C)cc(C)cc2C)c(=S)n1-n1cccc1 ZINC000016777243 570909669 /nfs/dbraw/zinc/90/96/69/570909669.db2.gz JPPNYYLNYHFKJK-UHFFFAOYSA-N 0 0 383.521 4.043 40 0 GIABRN Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccccc2C(C)C)CC1 ZINC000015949787 570910369 /nfs/dbraw/zinc/91/03/69/570910369.db2.gz GPHWXBLMKVAIQB-UHFFFAOYSA-N 0 0 386.923 4.499 40 0 GIABRN CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC[C@@]32C)[C@@H]2CC[C@H](C(C)=O)[C@]21C ZINC000118925690 570921526 /nfs/dbraw/zinc/92/15/26/570921526.db2.gz KKWSHZSKHGWKNI-KRNQWQQLSA-N 0 0 376.537 4.137 40 0 GIABRN O=C1[C@H]2[C@H](C(=O)N1c1ccncc1)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000017862474 570921746 /nfs/dbraw/zinc/92/17/46/570921746.db2.gz IBXQASRNSVVFOE-MYDTUXCISA-N 0 0 380.447 4.325 40 0 GIABRN Cc1ccc(-n2nnnc2-c2cnc(C3CC3)nc2-c2cc(F)cc(F)c2)cc1 ZINC000016311537 570921962 /nfs/dbraw/zinc/92/19/62/570921962.db2.gz WMWOYWUNHMYLCD-UHFFFAOYSA-N 0 0 390.397 4.250 40 0 GIABRN Cc1ncc(CN2CC[C@]23CCCN(C(=O)c2ccc4ccccc4c2)C3)s1 ZINC000585101897 570927394 /nfs/dbraw/zinc/92/73/94/570927394.db2.gz KPBPEMOMPGBDHE-QHCPKHFHSA-N 0 0 391.540 4.485 40 0 GIABRN Fc1ccc([C@@H](Cn2cnc3ccccc32)NCc2cc3n(n2)CCCC3)cc1 ZINC000649582071 570949182 /nfs/dbraw/zinc/94/91/82/570949182.db2.gz WTFNZBPPEUVBNS-JOCHJYFZSA-N 0 0 389.478 4.239 40 0 GIABRN S=C(NCCSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 ZINC000018138125 570950722 /nfs/dbraw/zinc/95/07/22/570950722.db2.gz NLGHQIMMRYXTGE-UHFFFAOYSA-N 0 0 380.922 4.190 40 0 GIABRN COC(=O)c1cccc(NC(=S)NCCSc2ccc(Cl)cc2)c1 ZINC000018141657 570951250 /nfs/dbraw/zinc/95/12/50/570951250.db2.gz PGELUQRVGSYZPV-UHFFFAOYSA-N 0 0 380.922 4.205 40 0 GIABRN O=C(CCc1cc(Br)cs1)c1ccc(N2CCOCC2)cc1 ZINC000228920504 570951633 /nfs/dbraw/zinc/95/16/33/570951633.db2.gz NGQYTRRHMDEBFA-UHFFFAOYSA-N 0 0 380.307 4.163 40 0 GIABRN O=C([O-])[C@H](Cc1cccs1)[NH2+]COCC1c2ccccc2-c2ccccc21 ZINC000390823119 570951918 /nfs/dbraw/zinc/95/19/18/570951918.db2.gz SWEJUURMMYYCEP-NRFANRHFSA-N 0 0 379.481 4.120 40 0 GIABRN Cc1cc(Br)c(I)c(Br)c1C ZINC000065356437 571000281 /nfs/dbraw/zinc/00/02/81/571000281.db2.gz QUVRDURSKSNMKI-UHFFFAOYSA-N 0 0 389.856 4.433 40 0 GIABRN CC(C)(C)C(=O)N1CCC[C@@](Cc2ccc(-c3cccs3)cc2)(C(N)=O)C1 ZINC000019081138 570956344 /nfs/dbraw/zinc/95/63/44/570956344.db2.gz WNGPSJPIBSHBAG-QFIPXVFZSA-N 0 0 384.545 4.098 40 0 GIABRN COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)c3cc(C)no3)on2)cc1 ZINC000019119922 570956914 /nfs/dbraw/zinc/95/69/14/570956914.db2.gz YOJXCQUIWAYMER-GOSISDBHSA-N 0 0 381.432 4.404 40 0 GIABRN COc1ccc(CN2CCC[C@@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)cc1 ZINC000019116882 570956994 /nfs/dbraw/zinc/95/69/94/570956994.db2.gz URPYDKQELFEZEC-QGZVFWFLSA-N 0 0 390.409 4.402 40 0 GIABRN Cc1cc(C(F)F)nn1[C@H](C)C(=O)N[C@@H](Cc1ccsc1)c1nccs1 ZINC000019119078 570957115 /nfs/dbraw/zinc/95/71/15/570957115.db2.gz YXLBQZAOYCSTHU-RISCZKNCSA-N 0 0 396.488 4.308 40 0 GIABRN Cc1cc(-c2cnc(C)nc2C2CCN(C(=O)c3cc(F)ccc3F)CC2)on1 ZINC000019122991 570957562 /nfs/dbraw/zinc/95/75/62/570957562.db2.gz KYTJEZUTDKOFSO-UHFFFAOYSA-N 0 0 398.413 4.046 40 0 GIABRN COc1ccc(CCN2Cc3cc4c(C)ccc(C)c4nc3OC2=O)cc1OC ZINC000019134680 570958605 /nfs/dbraw/zinc/95/86/05/570958605.db2.gz PYFBOFNOLLPLBF-UHFFFAOYSA-N 0 0 392.455 4.426 40 0 GIABRN Cc1ccc([C@H](C)C(=O)N2CCC[C@H]2c2nc(-c3cccnc3)cc(=O)[nH]2)cc1 ZINC000019136017 570958920 /nfs/dbraw/zinc/95/89/20/570958920.db2.gz RYNIJKALDBMPJA-JXFKEZNVSA-N 0 0 388.471 4.020 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1ccc(C)s1 ZINC000019217066 570961800 /nfs/dbraw/zinc/96/18/00/570961800.db2.gz NOJJELCEMASBPW-VWPQPMDRSA-N 0 0 396.556 4.456 40 0 GIABRN COCC(=O)N1CCc2sccc2[C@H]1c1ccc(NCc2ccc(C)o2)cc1 ZINC000019216669 570961803 /nfs/dbraw/zinc/96/18/03/570961803.db2.gz HDSGWTBSYPPRPH-JOCHJYFZSA-N 0 0 396.512 4.382 40 0 GIABRN COc1ccc(CCN2Cc3cc4ccc(C)c(C)c4nc3OC2=O)cc1OC ZINC000019234314 570965106 /nfs/dbraw/zinc/96/51/06/570965106.db2.gz HJQKUTHKHPVLNR-UHFFFAOYSA-N 0 0 392.455 4.426 40 0 GIABRN Cc1cccc(-c2cc(CNCc3c(F)cccc3Cl)c3nnnn3c2)c1 ZINC000019235299 570965632 /nfs/dbraw/zinc/96/56/32/570965632.db2.gz CHJCEQYVMODDRZ-UHFFFAOYSA-N 0 0 381.842 4.182 40 0 GIABRN Cc1cc(C(F)(F)F)nn1CCC(=O)N[C@H](C)Cc1c[nH]c2c1cccc2C ZINC000019236610 570966418 /nfs/dbraw/zinc/96/64/18/570966418.db2.gz HBUKLRKLSGYSRY-CYBMUJFWSA-N 0 0 392.425 4.138 40 0 GIABRN COc1cccc2c1cc(C(=O)N1CCC[C@@H](c3cc4ncccc4[nH]3)C1)n2C ZINC000019289867 570971449 /nfs/dbraw/zinc/97/14/49/570971449.db2.gz HZCMNDXABJEAGM-OAHLLOKOSA-N 0 0 388.471 4.083 40 0 GIABRN Cn1ccnc1-c1nc(NCc2ccccn2)ncc1-c1ccccc1Cl ZINC000019291727 570972325 /nfs/dbraw/zinc/97/23/25/570972325.db2.gz GADCEHYRJPZJBJ-UHFFFAOYSA-N 0 0 376.851 4.205 40 0 GIABRN Cn1ccnc1-c1nc(NCC[C@@H]2CCCCO2)ncc1-c1cccc(F)c1 ZINC000019291644 570972332 /nfs/dbraw/zinc/97/23/32/570972332.db2.gz IIIQVHSRSLWBPR-KRWDZBQOSA-N 0 0 381.455 4.054 40 0 GIABRN O=C(Cc1cccc(Cl)c1)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 ZINC000019293356 570973154 /nfs/dbraw/zinc/97/31/54/570973154.db2.gz KQPYHLHOZMFWND-LJQANCHMSA-N 0 0 380.879 4.421 40 0 GIABRN O=C(c1cccs1)N1CCC(c2nc(C3CC3)ncc2-c2ccncc2)CC1 ZINC000019342621 570977086 /nfs/dbraw/zinc/97/70/86/570977086.db2.gz MAOQERDRVNYPFG-UHFFFAOYSA-N 0 0 390.512 4.497 40 0 GIABRN O=C(c1cccs1)N1C[C@@H]2CCCCN(Cc3ccc(F)c(F)c3)[C@@H]2C1 ZINC000019342905 570977213 /nfs/dbraw/zinc/97/72/13/570977213.db2.gz FXLDVYDIPAEPEY-MAUKXSAKSA-N 0 0 376.472 4.153 40 0 GIABRN O=C(COc1ccc(F)c(Cl)c1)N1CCC(c2cc3ncccc3[nH]2)CC1 ZINC000019345321 570977643 /nfs/dbraw/zinc/97/76/43/570977643.db2.gz NVWSDZZGFNTTHY-UHFFFAOYSA-N 0 0 387.842 4.140 40 0 GIABRN Fc1cccc(CN(Cc2cncn2Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000019372915 570980998 /nfs/dbraw/zinc/98/09/98/570980998.db2.gz BTHZDYBOZDINKK-QHCPKHFHSA-N 0 0 379.479 4.252 40 0 GIABRN O=C(Cc1ccc(-c2ccccc2)cc1)NCc1nnc(-c2cccs2)o1 ZINC000019374136 570981625 /nfs/dbraw/zinc/98/16/25/570981625.db2.gz FDNMNIHSQAJDNJ-UHFFFAOYSA-N 0 0 375.453 4.324 40 0 GIABRN O=C(N[C@H](c1ccncc1)c1ccc(Cl)cc1)[C@@H]1OCOc2ccccc21 ZINC000019375073 570982069 /nfs/dbraw/zinc/98/20/69/570982069.db2.gz ZGLSAJXKYHFSKI-VQTJNVASSA-N 0 0 380.831 4.048 40 0 GIABRN CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000242602910 570985378 /nfs/dbraw/zinc/98/53/78/570985378.db2.gz CKIGNRFDVNOORK-LBPRGKRZSA-N 0 0 393.270 4.384 40 0 GIABRN CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000019451996 570985741 /nfs/dbraw/zinc/98/57/41/570985741.db2.gz IKYONLRPLXBMDN-GFCCVEGCSA-N 0 0 381.398 4.481 40 0 GIABRN O=C(NCc1ccccc1Cl)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000243238289 570986494 /nfs/dbraw/zinc/98/64/94/570986494.db2.gz KNPGDWUCBLKHNR-CYBMUJFWSA-N 0 0 396.796 4.028 40 0 GIABRN COCCCN(Cc1ccc2c(c1)C[C@H](C)O2)C(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000019498161 570990798 /nfs/dbraw/zinc/99/07/98/570990798.db2.gz SWECQDXMSSQVGG-IRXDYDNUSA-N 0 0 395.499 4.012 40 0 GIABRN CCC(=O)N1CCC[C@@](Cc2cccc(-c3cccs3)c2)(C(=O)N(C)C)C1 ZINC000019498639 570991135 /nfs/dbraw/zinc/99/11/35/570991135.db2.gz CNMNEZGRPYHXPF-QFIPXVFZSA-N 0 0 384.545 4.065 40 0 GIABRN CCCC(=O)N1CC[C@@](Cc2ccc(-c3ccsc3)cc2)(C(=O)N(C)C)C1 ZINC000019501034 570992592 /nfs/dbraw/zinc/99/25/92/570992592.db2.gz XKMMIWXOJXEHON-QFIPXVFZSA-N 0 0 384.545 4.065 40 0 GIABRN CCCC(=O)N1CCC[C@](Cc2ccc(-c3ccccc3F)cc2)(C(=O)NC)C1 ZINC000019501195 570992595 /nfs/dbraw/zinc/99/25/95/570992595.db2.gz RWKRQRKZMNYIKJ-XMMPIXPASA-N 0 0 396.506 4.190 40 0 GIABRN CCCC(=O)N1CCC[C@](Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)C1 ZINC000019501239 570992871 /nfs/dbraw/zinc/99/28/71/570992871.db2.gz MWSOANYWIMLTBE-RUZDIDTESA-N 0 0 392.543 4.393 40 0 GIABRN CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)CC)CC1 ZINC000585166490 570994406 /nfs/dbraw/zinc/99/44/06/570994406.db2.gz KONKLBRVLVNTBL-UHFFFAOYSA-N 0 0 378.516 4.051 40 0 GIABRN CCn1c2ccc(NC(=O)c3cc(-c4cn(C)nc4C)no3)cc2nc1C(C)C ZINC000019524255 570996380 /nfs/dbraw/zinc/99/63/80/570996380.db2.gz HCRUXCUQSHAKLI-UHFFFAOYSA-N 0 0 392.463 4.129 40 0 GIABRN CCNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CCC2)C1 ZINC000019528837 570998309 /nfs/dbraw/zinc/99/83/09/570998309.db2.gz OPKITHAEXSJRJC-VWLOTQADSA-N 0 0 390.527 4.051 40 0 GIABRN Cc1sc(NC(=O)c2nn3cccnc3c2Cl)nc1-c1ccc(F)cc1 ZINC000019555587 571003045 /nfs/dbraw/zinc/00/30/45/571003045.db2.gz IQBZNNJHKQGNSD-UHFFFAOYSA-N 0 0 387.827 4.206 40 0 GIABRN CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2CCC2)C1 ZINC000019579752 571012521 /nfs/dbraw/zinc/01/25/21/571012521.db2.gz AKXSSEAFUBJDPX-RUZDIDTESA-N 0 0 390.527 4.003 40 0 GIABRN CN(C)c1ccc(C[C@@H](CO)n2cncc2-c2cnn(C3CCCCC3)c2)cc1 ZINC000019654420 571022854 /nfs/dbraw/zinc/02/28/54/571022854.db2.gz QDOWNJRIROKZIM-QFIPXVFZSA-N 0 0 393.535 4.094 40 0 GIABRN Cc1cc(C)n(-c2ccc(C(=O)N(C)Cc3ccc4c(c3)C[C@@H](C)O4)cc2)n1 ZINC000019659644 571024795 /nfs/dbraw/zinc/02/47/95/571024795.db2.gz XXUGMKSSKRLLHA-QGZVFWFLSA-N 0 0 375.472 4.085 40 0 GIABRN O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(-c2ccc(F)cc2)no1 ZINC000019659410 571024991 /nfs/dbraw/zinc/02/49/91/571024991.db2.gz BOIXDTTVWDXTNE-UHFFFAOYSA-N 0 0 380.354 4.117 40 0 GIABRN CCn1nc([C@@H](C)C(=O)Nc2cc(C)cc3cccnc32)c2ccccc2c1=O ZINC000019660578 571025308 /nfs/dbraw/zinc/02/53/08/571025308.db2.gz VPPSHANXXMBEKC-OAHLLOKOSA-N 0 0 386.455 4.015 40 0 GIABRN CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cc(-c2ccccc2Cl)no1 ZINC000019660879 571025876 /nfs/dbraw/zinc/02/58/76/571025876.db2.gz NKGWNZTWRYHUNK-UHFFFAOYSA-N 0 0 394.818 4.317 40 0 GIABRN Cc1ccc(C)c2c1cc(C(=O)N(Cc1ccccn1)C[C@H]1CCCO1)n2C ZINC000019663316 571026627 /nfs/dbraw/zinc/02/66/27/571026627.db2.gz KVGNNOGOEDMFTC-LJQANCHMSA-N 0 0 377.488 4.012 40 0 GIABRN Cc1ccc2[nH]c(-c3cccc(NC(=O)c4cc(-c5cnn(C)c5)no4)c3)nc2c1 ZINC000019664674 571026853 /nfs/dbraw/zinc/02/68/53/571026853.db2.gz UMJOSBNKRVSERW-UHFFFAOYSA-N 0 0 398.426 4.179 40 0 GIABRN Cc1cnc(C(=O)N2CCC(c3cc(Cc4ccccc4)cc(C)n3)CC2)cn1 ZINC000019691669 571029651 /nfs/dbraw/zinc/02/96/51/571029651.db2.gz CRVVYTINQYWBLX-UHFFFAOYSA-N 0 0 386.499 4.099 40 0 GIABRN COc1ccc2oc(C(=O)Nc3ccc([C@@H]4CCc5nncn5C4)cc3)cc2c1 ZINC000019699143 571031055 /nfs/dbraw/zinc/03/10/55/571031055.db2.gz CTFAAPZHOSGXHL-OAHLLOKOSA-N 0 0 388.427 4.015 40 0 GIABRN CC(C)(C)C(=O)N1CCC(Cc2ccc(-c3ccccc3F)cc2)(C(N)=O)CC1 ZINC000019700528 571031312 /nfs/dbraw/zinc/03/13/12/571031312.db2.gz OUFBCBGCTIIQLU-UHFFFAOYSA-N 0 0 396.506 4.175 40 0 GIABRN CC(=O)N1CCC(c2ccc(C(=O)NC3(c4ccccc4)CCCC3)cn2)CC1 ZINC000019708232 571033124 /nfs/dbraw/zinc/03/31/24/571033124.db2.gz NKWUHELRQAJSAZ-UHFFFAOYSA-N 0 0 391.515 4.007 40 0 GIABRN C[C@@H]1Cc2cc(CN(C)C(=O)CCc3nc4cc(Cl)ccc4n3C)ccc2O1 ZINC000019714223 571035632 /nfs/dbraw/zinc/03/56/32/571035632.db2.gz IEXDOBGRPGWZCV-CQSZACIVSA-N 0 0 397.906 4.141 40 0 GIABRN COc1cccc2cc(C(=O)NCCc3nc4cc(C)c(C)cc4[nH]3)c(C)nc21 ZINC000019714413 571035940 /nfs/dbraw/zinc/03/59/40/571035940.db2.gz NRHZYIVUPJXGRC-UHFFFAOYSA-N 0 0 388.471 4.017 40 0 GIABRN C[C@H]1Cc2cc(CN(C)C(=O)c3cc(-n4cccn4)ccc3Cl)ccc2O1 ZINC000019715141 571036895 /nfs/dbraw/zinc/03/68/95/571036895.db2.gz ACFBMEFVXBSZNZ-AWEZNQCLSA-N 0 0 381.863 4.121 40 0 GIABRN COc1cccc(CC[C@@H]2CCCCN2C(=O)c2cc(C)nc3onc(C)c32)c1 ZINC000019715890 571037981 /nfs/dbraw/zinc/03/79/81/571037981.db2.gz OJKMDEXLCABKMK-SFHVURJKSA-N 0 0 393.487 4.476 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2ccccc2Br)cc(-c2ccncc2)n1 ZINC000328957844 571046870 /nfs/dbraw/zinc/04/68/70/571046870.db2.gz ALVHQLRKHDMPGY-CYBMUJFWSA-N 0 0 398.308 4.099 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2cccnc2)n1 ZINC000328961974 571047243 /nfs/dbraw/zinc/04/72/43/571047243.db2.gz BGENSBPJTYWXTM-ZDUSSCGKSA-N 0 0 387.409 4.355 40 0 GIABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccccn2)nc(NC2CC2)n1 ZINC000328964107 571047743 /nfs/dbraw/zinc/04/77/43/571047743.db2.gz BTBTZIZIIFWUAS-UHFFFAOYSA-N 0 0 385.393 4.028 40 0 GIABRN CCOC(=O)CCc1cc(CCC(=O)OCC)cc(Cc2ccc(OC)cc2)c1 ZINC000095629431 571093768 /nfs/dbraw/zinc/09/37/68/571093768.db2.gz WYLRQNNAHLOAJZ-UHFFFAOYSA-N 0 0 398.499 4.277 40 0 GIABRN COCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000006323399 817676134 /nfs/dbraw/zinc/67/61/34/817676134.db2.gz VFHRIGBVKQYROP-SDNWHVSQSA-N 0 0 380.488 4.012 40 0 GIABRN COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1CC(C)C ZINC000006327434 817676984 /nfs/dbraw/zinc/67/69/84/817676984.db2.gz JJNUTTPPABOJMC-UHFFFAOYSA-N 0 0 396.516 4.341 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Cl)cc1 ZINC000006650562 817715610 /nfs/dbraw/zinc/71/56/10/817715610.db2.gz XVAXNHZJWJITRA-UHFFFAOYSA-N 0 0 389.835 4.092 40 0 GIABRN CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000006880309 817721091 /nfs/dbraw/zinc/72/10/91/817721091.db2.gz FSUKFTOSYUZWMB-UHFFFAOYSA-N 0 0 388.533 4.070 40 0 GIABRN COC(=O)c1cn(CC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000006950816 817728416 /nfs/dbraw/zinc/72/84/16/817728416.db2.gz BFBQYEDQIRRTFG-UHFFFAOYSA-N 0 0 377.227 4.373 40 0 GIABRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(N4CCCCC4)cc3F)C2=O)c1 ZINC000006967252 817730796 /nfs/dbraw/zinc/73/07/96/817730796.db2.gz KIGKBVLSUQSYKG-FYJGNVAPSA-N 0 0 393.462 4.217 40 0 GIABRN Cc1ccc(-n2cccc2/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)c1 ZINC000006967274 817730845 /nfs/dbraw/zinc/73/08/45/817730845.db2.gz YHQNFLPJSIVCHQ-KGENOOAVSA-N 0 0 385.467 4.495 40 0 GIABRN CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC ZINC000007071482 817752280 /nfs/dbraw/zinc/75/22/80/817752280.db2.gz FTSIHWGKJCBVAM-PUMYGXPMSA-N 0 0 394.471 4.274 40 0 GIABRN CC[C@H](Oc1ccccc1F)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000007382520 817828463 /nfs/dbraw/zinc/82/84/63/817828463.db2.gz PLFRLMGDYAOJPV-IBGZPJMESA-N 0 0 390.886 4.294 40 0 GIABRN Cc1cccc(N2CCN(C(=O)CCCOc3ccc(Cl)cc3)CC2)c1C ZINC000007504788 817856939 /nfs/dbraw/zinc/85/69/39/817856939.db2.gz HJPVWFFJACKXDG-UHFFFAOYSA-N 0 0 386.923 4.465 40 0 GIABRN Cc1cccc(N2C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)c1C ZINC000007882419 817949484 /nfs/dbraw/zinc/94/94/84/817949484.db2.gz FOEMVQPNSHVPJQ-CQSZACIVSA-N 0 0 376.378 4.314 40 0 GIABRN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3c(CC)cccc3CC)C2)cc1 ZINC000007928177 817961607 /nfs/dbraw/zinc/96/16/07/817961607.db2.gz PMXATHOEXNGMSO-GOSISDBHSA-N 0 0 380.488 4.202 40 0 GIABRN O=C(Oc1cccc2cccnc21)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000007929090 817962329 /nfs/dbraw/zinc/96/23/29/817962329.db2.gz QZTSAXFAZADCEF-SFHVURJKSA-N 0 0 382.419 4.347 40 0 GIABRN CC[C@H](Oc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000008040757 817988007 /nfs/dbraw/zinc/98/80/07/817988007.db2.gz DKSREGHTBBBZIX-AWEZNQCLSA-N 0 0 391.464 4.349 40 0 GIABRN CCc1cccc(C)c1NC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000008050389 817989292 /nfs/dbraw/zinc/98/92/92/817989292.db2.gz PHVYEJDXHIBQIN-UHFFFAOYSA-N 0 0 388.533 4.051 40 0 GIABRN COc1ccc(C[C@H]2SC(=O)N(c3cccc(Cl)c3)C2=O)c(OC)c1 ZINC000008115196 818002427 /nfs/dbraw/zinc/00/24/27/818002427.db2.gz XQVHBXRCSAMREQ-MRXNPFEDSA-N 0 0 377.849 4.168 40 0 GIABRN Cc1cc(C)cc(NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1 ZINC000008301072 818032011 /nfs/dbraw/zinc/03/20/11/818032011.db2.gz XCMCQONZMAUJGB-FQEVSTJZSA-N 0 0 398.503 4.352 40 0 GIABRN CO[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)C1 ZINC000019214354 818587989 /nfs/dbraw/zinc/58/79/89/818587989.db2.gz IGHCJAUUJDLUCZ-FBBABVLZSA-N 0 0 381.520 4.188 40 0 GIABRN Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)c3cnccn3)CC2)n1 ZINC000019691143 818598715 /nfs/dbraw/zinc/59/87/15/818598715.db2.gz YSXSBKNGHHHSRV-UHFFFAOYSA-N 0 0 376.435 4.006 40 0 GIABRN CCC(=O)N1CCO[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 ZINC000019692888 818599332 /nfs/dbraw/zinc/59/93/32/818599332.db2.gz RYBKLYSRLOFPEJ-GOSISDBHSA-N 0 0 378.394 4.001 40 0 GIABRN COc1ccc(Cc2ccc([C@H]3CN(CCc4ccccc4)CCO3)nc2)cc1 ZINC000019692861 818599459 /nfs/dbraw/zinc/59/94/59/818599459.db2.gz ZKIMMJVAFRFEAJ-RUZDIDTESA-N 0 0 388.511 4.297 40 0 GIABRN CCC(=O)N1CCO[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 ZINC000019692889 818599501 /nfs/dbraw/zinc/59/95/01/818599501.db2.gz RYBKLYSRLOFPEJ-SFHVURJKSA-N 0 0 378.394 4.001 40 0 GIABRN COc1cccc(-c2ccc([C@H]3CN(Cc4cnc(C)s4)CCO3)nc2)c1 ZINC000019693481 818600070 /nfs/dbraw/zinc/60/00/70/818600070.db2.gz NVEKNAYTPZWHQM-OAQYLSRUSA-N 0 0 381.501 4.096 40 0 GIABRN Cc1nc(-c2ccc(C)cc2)c(Cc2nnc(NCc3cccnc3)o2)s1 ZINC000019700818 818600736 /nfs/dbraw/zinc/60/07/36/818600736.db2.gz SSZWEXGUSVFFCU-UHFFFAOYSA-N 0 0 377.473 4.408 40 0 GIABRN CCCc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)cs1 ZINC000019712649 818602368 /nfs/dbraw/zinc/60/23/68/818602368.db2.gz SQOBTMKXPSPAKH-VWPQPMDRSA-N 0 0 396.556 4.368 40 0 GIABRN CCN(CC)C(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000047219429 822555141 /nfs/dbraw/zinc/55/51/41/822555141.db2.gz MKKLPVMYBRQKBM-UHFFFAOYSA-N 0 0 395.286 4.493 40 0 GIABRN O=C(c1csc2c1CCCC2)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000461969982 823776651 /nfs/dbraw/zinc/77/66/51/823776651.db2.gz VAHRIFPZEHPEHS-NSHDSACASA-N 0 0 383.439 4.389 40 0 GIABRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2c(OC)ccc3ccccc32)C1=O ZINC000409209251 529375870 /nfs/dbraw/zinc/37/58/70/529375870.db2.gz IIKXMIFYFUNCKI-VBEHJTROSA-N 0 0 399.468 4.226 40 0 GIABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccnc2)c1C ZINC000222864293 222617225 /nfs/dbraw/zinc/61/72/25/222617225.db2.gz DNDHOXDIPPNZAJ-NHCUHLMSSA-N 0 0 391.544 4.267 40 0 GIABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(OC)cc1 ZINC000222887658 222617891 /nfs/dbraw/zinc/61/78/91/222617891.db2.gz IERFRDPRLQZNCN-NHCUHLMSSA-N 0 0 392.528 4.263 40 0 GIABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)cc1 ZINC000151457932 231026659 /nfs/dbraw/zinc/02/66/59/231026659.db2.gz JTNRFBHTCQAANC-UHFFFAOYSA-N 0 0 383.473 4.305 40 0 GIABRN Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1C ZINC000103715667 231014169 /nfs/dbraw/zinc/01/41/69/231014169.db2.gz BSGXMRDOEXAXPB-CQSZACIVSA-N 0 0 387.277 4.058 40 0 GIABRN Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)CC1=O ZINC000103718959 231014716 /nfs/dbraw/zinc/01/47/16/231014716.db2.gz IZLNIWZOKJOTPQ-NSHDSACASA-N 0 0 381.234 4.433 40 0 GIABRN O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)N1CCCCCC1 ZINC000408548133 231055802 /nfs/dbraw/zinc/05/58/02/231055802.db2.gz PQULISWNZMEERP-NRFANRHFSA-N 0 0 384.501 4.070 40 0 GIABRN Cc1ccc(NC(=S)NC2(c3ccco3)CCCC2)cc1N1CCCC1=O ZINC000225870207 231036158 /nfs/dbraw/zinc/03/61/58/231036158.db2.gz LCTHODOZBKOANY-UHFFFAOYSA-N 0 0 383.517 4.471 40 0 GIABRN Cc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)ccc1NC(=O)c1ccccc1 ZINC000408613235 231080245 /nfs/dbraw/zinc/08/02/45/231080245.db2.gz ZWEBJQFYTQPWTL-KRWDZBQOSA-N 0 0 394.496 4.287 40 0 GIABRN COc1ccccc1CNC(=O)c1ccccc1NC(=O)c1c(F)cccc1F ZINC000408615870 231080868 /nfs/dbraw/zinc/08/08/68/231080868.db2.gz UAYKNYAMSPKWOP-UHFFFAOYSA-N 0 0 396.393 4.156 40 0 GIABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 ZINC000408583736 231067599 /nfs/dbraw/zinc/06/75/99/231067599.db2.gz JKNMHQGCJSZDRV-UHFFFAOYSA-N 0 0 395.912 4.227 40 0 GIABRN CCn1c2ccccc2nc1SCC(=O)Nc1cccc(C(=O)OC(C)C)c1 ZINC000408692912 231095673 /nfs/dbraw/zinc/09/56/73/231095673.db2.gz YHJMXFTYNAZJIX-UHFFFAOYSA-N 0 0 397.500 4.352 40 0 GIABRN Cc1ccccc1NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O ZINC000408703776 231099238 /nfs/dbraw/zinc/09/92/38/231099238.db2.gz GYSCHPWYAHTEHT-UHFFFAOYSA-N 0 0 380.469 4.076 40 0 GIABRN O=C(NCCC1CCCCC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000408709591 231102107 /nfs/dbraw/zinc/10/21/07/231102107.db2.gz UQUMCGVKEIUNQI-UHFFFAOYSA-N 0 0 376.806 4.384 40 0 GIABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000222954314 222619598 /nfs/dbraw/zinc/61/95/98/222619598.db2.gz AOMNPRZFQLRPGB-FQEVSTJZSA-N 0 0 382.504 4.485 40 0 GIABRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)C=Cc2ccccc2)cc1 ZINC000408620466 231083284 /nfs/dbraw/zinc/08/32/84/231083284.db2.gz JCAHATTYSCAIHM-JLHYYAGUSA-N 0 0 390.512 4.144 40 0 GIABRN O=C(Nc1ccccc1)c1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 ZINC000408976804 231139946 /nfs/dbraw/zinc/13/99/46/231139946.db2.gz SIAGKSAKVZHJBW-UHFFFAOYSA-N 0 0 399.431 4.349 40 0 GIABRN Cc1ccc(COc2c(Cl)cc(/C=C3/NC(=O)NC3=O)cc2Cl)cc1 ZINC000408919047 231131686 /nfs/dbraw/zinc/13/16/86/231131686.db2.gz RXUPIGRGNNOCKI-OVCLIPMQSA-N 0 0 377.227 4.061 40 0 GIABRN COc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(OC)c1OC ZINC000409139636 231170523 /nfs/dbraw/zinc/17/05/23/231170523.db2.gz BZBTXLJKUMBTES-LFIBNONCSA-N 0 0 391.489 4.329 40 0 GIABRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3)C2=O)c1 ZINC000409161447 231173096 /nfs/dbraw/zinc/17/30/96/231173096.db2.gz XIQOQHYVIBBHRZ-MHWRWJLKSA-N 0 0 386.860 4.323 40 0 GIABRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccccc3F)C2=O)c(C)c1 ZINC000409374691 231196723 /nfs/dbraw/zinc/19/67/23/231196723.db2.gz WTTHHKIDAQVDPU-LICLKQGHSA-N 0 0 398.459 4.426 40 0 GIABRN Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)c1 ZINC000409180271 231175465 /nfs/dbraw/zinc/17/54/65/231175465.db2.gz XNFPZLJPJMVNHP-UHFFFAOYSA-N 0 0 377.396 4.171 40 0 GIABRN COCCCN1C(=O)SC(=Cc2ccc(-c3ccc(C(C)=O)cc3)o2)C1=O ZINC000409228759 231182898 /nfs/dbraw/zinc/18/28/98/231182898.db2.gz DQSGEQHFDTXZEX-LDADJPATSA-N 0 0 385.441 4.222 40 0 GIABRN Cc1[nH]c2ccccc2c1C=C1SC(=O)N(CC(=O)c2ccccc2)C1=O ZINC000409223000 231183187 /nfs/dbraw/zinc/18/31/87/231183187.db2.gz FWGPQFARFWLIIW-YBFXNURJSA-N 0 0 376.437 4.396 40 0 GIABRN Cc1cc(C)c(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)c1 ZINC000409251566 231187380 /nfs/dbraw/zinc/18/73/80/231187380.db2.gz PQULJLZWBLKSDC-VCHYOVAHSA-N 0 0 398.459 4.426 40 0 GIABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1nc(-c2cccc(C)c2)no1 ZINC000223002047 222622391 /nfs/dbraw/zinc/62/23/91/222622391.db2.gz IPGUMMWIYASIPX-LJQANCHMSA-N 0 0 379.460 4.136 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CSCc1cccc(C)c1 ZINC000223009906 222623140 /nfs/dbraw/zinc/62/31/40/222623140.db2.gz KJRSDSRHSQQGMW-OAQYLSRUSA-N 0 0 398.572 4.090 40 0 GIABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 ZINC000223032359 222623852 /nfs/dbraw/zinc/62/38/52/222623852.db2.gz WGNPJCIVCLFVEJ-PMACEKPBSA-N 0 0 384.549 4.007 40 0 GIABRN CCc1ccc(-n2c(SCC(=O)OC)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409104403 529580929 /nfs/dbraw/zinc/58/09/29/529580929.db2.gz ZCMLUKHFJVFKJD-UHFFFAOYSA-N 0 0 387.892 4.415 40 0 GIABRN CCc1ccccc1NC(=O)c1ccc(N2C(=O)[C@@H]3CC=C(C)C[C@@H]3C2=O)cc1 ZINC000408681804 529600415 /nfs/dbraw/zinc/60/04/15/529600415.db2.gz JNXYCNQQUYNOTL-UXHICEINSA-N 0 0 388.467 4.347 40 0 GIABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(Cc3c(C)n[nH]c3C)cc2)cc1 ZINC000408628697 529601254 /nfs/dbraw/zinc/60/12/54/529601254.db2.gz WDVIFMFNJAACOL-UHFFFAOYSA-N 0 0 392.528 4.307 40 0 GIABRN CCc1ccc(C2=NN(C(=O)CCc3ccccc3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000409101728 529617891 /nfs/dbraw/zinc/61/78/91/529617891.db2.gz QTFMGEHKALXTEC-HXUWFJFHSA-N 0 0 390.405 4.069 40 0 GIABRN CCc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000409099280 529618757 /nfs/dbraw/zinc/61/87/57/529618757.db2.gz KSHROXSMARFNJZ-SFHVURJKSA-N 0 0 396.796 4.404 40 0 GIABRN CCc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408707434 529646936 /nfs/dbraw/zinc/64/69/36/529646936.db2.gz AVVOKDZBMORHKU-UHFFFAOYSA-N 0 0 384.785 4.176 40 0 GIABRN CC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000004314610 290687590 /nfs/dbraw/zinc/68/75/90/290687590.db2.gz XEFQRGKUCOMYSC-KHUDFTRUSA-N 0 0 388.548 4.399 40 0 biogenic,in-vitro GIABRN CCOc1ccc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1C ZINC000223562199 222635523 /nfs/dbraw/zinc/63/55/23/222635523.db2.gz BPNMFZCDXLZCMX-UHFFFAOYSA-N 0 0 385.851 4.369 40 0 GIABRN CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224721909 222661528 /nfs/dbraw/zinc/66/15/28/222661528.db2.gz XDUHMMWDVFFGTF-UHFFFAOYSA-N 0 0 390.288 4.226 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224732751 222662695 /nfs/dbraw/zinc/66/26/95/222662695.db2.gz QASRNGHLBAJWTI-FQEVSTJZSA-N 0 0 392.543 4.404 40 0 GIABRN CN(c1ccccc1C(=O)Nc1ccccc1Oc1ccccc1)S(C)(=O)=O ZINC000408602890 530036955 /nfs/dbraw/zinc/03/69/55/530036955.db2.gz DCSCFJMIMOXXSX-UHFFFAOYSA-N 0 0 396.468 4.127 40 0 GIABRN CN1CCN(C(=S)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000408571199 530070240 /nfs/dbraw/zinc/07/02/40/530070240.db2.gz ACIJNLMMPFAWIN-UHFFFAOYSA-N 0 0 395.355 4.495 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2ccccc2Br)cc(-c2ccncc2)n1 ZINC000328957858 203766773 /nfs/dbraw/zinc/76/67/73/203766773.db2.gz ALVHQLRKHDMPGY-ZDUSSCGKSA-N 0 0 398.308 4.099 40 0 GIABRN Cc1cc(C)c(Nc2cc(-c3ccccn3)nc(N[C@@H](CO)C(C)C)n2)c(C)c1 ZINC000328976643 203767852 /nfs/dbraw/zinc/76/78/52/203767852.db2.gz FPDNCPRDIOHEIL-FQEVSTJZSA-N 0 0 391.519 4.058 40 0 GIABRN O=C(Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1F)NC1CCCCC1 ZINC000005000943 203793464 /nfs/dbraw/zinc/79/34/64/203793464.db2.gz PVQLENNMEYEXLC-UHFFFAOYSA-N 0 0 397.450 4.206 40 0 GIABRN CCC(C)(C)Nc1c(-c2cc3ccc(OC)cc3[nH]c2=O)nc2ccccn21 ZINC000001330292 203900841 /nfs/dbraw/zinc/90/08/41/203900841.db2.gz DCYSNINQBXGFNW-UHFFFAOYSA-N 0 0 376.460 4.452 40 0 GIABRN CCOc1ccc(C(=O)N2CCC[C@H](c3nc(-c4cccs4)no3)C2)cc1 ZINC000001364363 203902627 /nfs/dbraw/zinc/90/26/27/203902627.db2.gz IKWFKSPKMBMLPK-HNNXBMFYSA-N 0 0 383.473 4.217 40 0 GIABRN CCOC(=O)c1c(C)c(Cl)[nH]c1/C=C1/N=C(Cl)C(C)=C1C(=O)OCC ZINC000001595865 203915259 /nfs/dbraw/zinc/91/52/59/203915259.db2.gz WZORZTRCOMWTBQ-YRNVUSSQSA-N 0 0 385.247 4.025 40 0 GIABRN Cc1ccc(S(=O)(=O)c2sc(SCc3ccccc3)nc2N)cc1 ZINC000004290457 204037042 /nfs/dbraw/zinc/03/70/42/204037042.db2.gz LWUDMOMOXWNGDX-UHFFFAOYSA-N 0 0 376.528 4.159 40 0 GIABRN O=C(COc1ccc(Cl)cc1Br)NCc1ccc(Cl)cc1 ZINC000003510403 204011668 /nfs/dbraw/zinc/01/16/68/204011668.db2.gz OVLOMRTZECRORW-UHFFFAOYSA-N 0 0 389.076 4.451 40 0 GIABRN O=C([O-])CCC[NH+]1CCC(O[C@H](c2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000003871703 204021179 /nfs/dbraw/zinc/02/11/79/204021179.db2.gz YWGDOWXRIALTES-OAQYLSRUSA-N 0 0 388.895 4.170 40 0 fda GIABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)ccc1C ZINC000004809215 204076507 /nfs/dbraw/zinc/07/65/07/204076507.db2.gz UBRCUWCTWKSDST-QKLQHJQFSA-N 0 0 398.528 4.023 40 0 GIABRN CCCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccncc1 ZINC000004560720 204053213 /nfs/dbraw/zinc/05/32/13/204053213.db2.gz NIYWICTZSXDCLC-UHFFFAOYSA-N 0 0 381.505 4.098 40 0 GIABRN Cc1ccccc1NC(=O)[C@H]1C(=O)N(C)[C@]23CCCC[C@@H]2[C@H]1c1ccccc1O3 ZINC000004569006 204055185 /nfs/dbraw/zinc/05/51/85/204055185.db2.gz MMLUGARTGRZYLY-XFNOLROGSA-N 0 0 390.483 4.084 40 0 GIABRN Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C1=O ZINC000005296050 204124167 /nfs/dbraw/zinc/12/41/67/204124167.db2.gz GKRZWPGGLFLQQA-BDTNDASRSA-N 0 0 384.435 4.046 40 0 GIABRN CN(C)c1ccc(-c2sc3nc(-c4ccc(N(C)C)cc4)cc[n+]3c2[O-])cc1 ZINC000005334457 204125808 /nfs/dbraw/zinc/12/58/08/204125808.db2.gz AXSZLMWIHXXPJO-UHFFFAOYSA-O 0 0 391.520 4.053 40 0 GIABRN Cc1nc2c(nnn2Cc2ccccc2)c(Nc2ccccc2Br)n1 ZINC000004922275 204092778 /nfs/dbraw/zinc/09/27/78/204092778.db2.gz MDJIDWCNGPFLGT-UHFFFAOYSA-N 0 0 395.264 4.084 40 0 GIABRN CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4O[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004946288 204096451 /nfs/dbraw/zinc/09/64/51/204096451.db2.gz WNFQIRIRYYIJSG-YBYOCDOASA-N 0 0 378.509 4.229 40 0 GIABRN C[C@@]12CC[C@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@@H]3[C@@H]1CC(=O)[C@@H]2O ZINC000004962070 204097442 /nfs/dbraw/zinc/09/74/42/204097442.db2.gz PGGRKBVFTNNQNV-LXSVZHCRSA-N 0 0 390.479 4.302 40 0 GIABRN O=c1[nH]c2c(s1)[C@@H]1c3ccccc3OC(=O)[C@H]1[C@@H](c1ccc(F)cc1)S2 ZINC000004995846 204100810 /nfs/dbraw/zinc/10/08/10/204100810.db2.gz KLWJRRIGFKCMML-RBSFLKMASA-N 0 0 385.441 4.090 40 0 GIABRN C[C@H]1S[C@]2(C(=O)Nc3ccc(Cl)cc32)N(c2ccc(Cl)cc2)C1=O ZINC000005760074 204149986 /nfs/dbraw/zinc/14/99/86/204149986.db2.gz LFRJZJZRKNOYKS-VVVCHXIZSA-N 0 0 379.268 4.267 40 0 GIABRN COc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCC[C@@H]4[C@@H]3C2=O)c1 ZINC000005856475 204154021 /nfs/dbraw/zinc/15/40/21/204154021.db2.gz OHMBYDILZVAUPW-ALGWMNEGSA-N 0 0 386.451 4.347 40 0 GIABRN O=C(NCc1ccc(F)cc1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000035313361 204166491 /nfs/dbraw/zinc/16/64/91/204166491.db2.gz PRIWUVBLWRPSBR-UHFFFAOYSA-N 0 0 389.858 4.039 40 0 GIABRN COc1ccc(C2c3cc(O)c(OC)cc3Oc3cc(OC)c(O)cc32)cc1 ZINC000005464492 204134230 /nfs/dbraw/zinc/13/42/30/204134230.db2.gz HEIUAVFGXNGVOF-UHFFFAOYSA-N 0 0 380.396 4.410 40 0 GIABRN CC1(C)CC(=O)[C@@H]2C(c3ccc4c(c3)OCO4)[C@H]3C(=O)CC(C)(C)C[C@@H]3O[C@@H]2C1 ZINC000005551837 204139259 /nfs/dbraw/zinc/13/92/59/204139259.db2.gz VZSHNZIJGWRJFJ-OACCOTFLSA-N 0 0 398.499 4.277 40 0 GIABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000005634688 204145005 /nfs/dbraw/zinc/14/50/05/204145005.db2.gz QRKPCFFEJYUESH-UHFFFAOYSA-N 0 0 399.299 4.030 40 0 GIABRN COc1c(Br)cc(Br)cc1C(=O)NCc1ccccc1 ZINC000005669978 204146094 /nfs/dbraw/zinc/14/60/94/204146094.db2.gz UVXJFOLFZZIJRO-UHFFFAOYSA-N 0 0 399.082 4.150 40 0 GIABRN COc1ccc(-c2nnc3n2c2ccccc2c(=O)n3Cc2ccc(C)cc2)cc1 ZINC000006781166 204204217 /nfs/dbraw/zinc/20/42/17/204204217.db2.gz QDZNLVYQHIXMLN-UHFFFAOYSA-N 0 0 396.450 4.077 40 0 GIABRN COc1ccccc1-c1nnc2n1c1ccccc1c(=O)n2Cc1ccc(C)cc1 ZINC000006781153 204204669 /nfs/dbraw/zinc/20/46/69/204204669.db2.gz KSXCTECZCNFOMR-UHFFFAOYSA-N 0 0 396.450 4.077 40 0 GIABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000006888893 204220007 /nfs/dbraw/zinc/22/00/07/204220007.db2.gz BQLZRVFRCSIGMP-UHFFFAOYSA-N 0 0 399.299 4.030 40 0 GIABRN C[C@H](CCCNC(=S)Nc1ccccc1)CNC(=S)Nc1ccccc1 ZINC000006275510 204173600 /nfs/dbraw/zinc/17/36/00/204173600.db2.gz CREWNCBVEPCSDU-MRXNPFEDSA-N 0 0 386.590 4.376 40 0 GIABRN CCCOc1ccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1 ZINC000006324286 204174328 /nfs/dbraw/zinc/17/43/28/204174328.db2.gz PNOQPKRIQFFRNT-UHFFFAOYSA-N 0 0 397.500 4.174 40 0 GIABRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000006362274 204175726 /nfs/dbraw/zinc/17/57/26/204175726.db2.gz IBJBPLBFXMBDRG-UHFFFAOYSA-N 0 0 381.457 4.440 40 0 GIABRN Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000007230262 204235977 /nfs/dbraw/zinc/23/59/77/204235977.db2.gz WUTTZBKODNGWMG-UHFFFAOYSA-N 0 0 394.496 4.034 40 0 GIABRN COc1ccc(CCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 ZINC000007688022 204246684 /nfs/dbraw/zinc/24/66/84/204246684.db2.gz TVXHSSUWGJGANP-UHFFFAOYSA-N 0 0 385.514 4.410 40 0 GIABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccc(Cl)cc1 ZINC000007759250 204249131 /nfs/dbraw/zinc/24/91/31/204249131.db2.gz YDGOZOKYSWYMFT-UHFFFAOYSA-N 0 0 392.242 4.081 40 0 GIABRN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1OCc1ccccc1 ZINC000007842683 204252196 /nfs/dbraw/zinc/25/21/96/204252196.db2.gz WZFFUODCWOYMIO-UHFFFAOYSA-N 0 0 388.467 4.355 40 0 GIABRN CCCCNC(=O)/C(=C\c1cccc(N(CC)CC)c1)NC(=O)c1ccccc1 ZINC000008651912 204281842 /nfs/dbraw/zinc/28/18/42/204281842.db2.gz QWJZJGRCSQLBBJ-RELWKKBWSA-N 0 0 393.531 4.220 40 0 GIABRN CCOc1ccc(NC(=O)CSc2nnc(Cc3ccc(C)cc3)o2)cc1 ZINC000009199163 204301738 /nfs/dbraw/zinc/30/17/38/204301738.db2.gz FVMYLWZRUZPQRT-UHFFFAOYSA-N 0 0 383.473 4.098 40 0 GIABRN Cc1cccc(-c2nnc3s/c(=C\c4ccc(-c5ccccc5)cc4)c(=O)n32)c1 ZINC000009187897 204301993 /nfs/dbraw/zinc/30/19/93/204301993.db2.gz DRKODZKZIVXCOP-QNGOZBTKSA-N 0 0 395.487 4.341 40 0 GIABRN CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1 ZINC000009485277 204312656 /nfs/dbraw/zinc/31/26/56/204312656.db2.gz ALKYRASKYKALND-UHFFFAOYSA-N 0 0 390.871 4.488 40 0 GIABRN Cc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c1 ZINC000010112404 204330572 /nfs/dbraw/zinc/33/05/72/204330572.db2.gz OYMQNNYTHVDCAT-UHFFFAOYSA-N 0 0 394.496 4.034 40 0 GIABRN O=C(CCc1ccccc1Cl)Nc1ccccc1C(=O)NCc1ccco1 ZINC000010458016 204334607 /nfs/dbraw/zinc/33/46/07/204334607.db2.gz FSPPTJFLVCSFQJ-UHFFFAOYSA-N 0 0 382.847 4.434 40 0 GIABRN C[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(F)cc1 ZINC000011399719 204345861 /nfs/dbraw/zinc/34/58/61/204345861.db2.gz MDQYUJIRZYAOAH-JTQLQIEISA-N 0 0 386.648 4.498 40 0 GIABRN COc1ccc(CC(=O)N2[C@@H]3CC[C@H]2CC(c2ccc(F)cc2)C3)cc1OC ZINC000012159826 204377940 /nfs/dbraw/zinc/37/79/40/204377940.db2.gz ACGHQFBPHMDGCT-CTXDPNEZSA-N 0 0 383.463 4.323 40 0 GIABRN CCOc1cc(CCC(=O)N[C@@H]2[C@@H](c3ccc(OC)cc3)[C@@H]3CCCC[C@@H]32)on1 ZINC000012162452 204378165 /nfs/dbraw/zinc/37/81/65/204378165.db2.gz CVEIZZRFKMCLQU-FUKQBSRTSA-N 0 0 398.503 4.103 40 0 GIABRN Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000012017404 204367575 /nfs/dbraw/zinc/36/75/75/204367575.db2.gz LDVDUVVKRUVWQU-UFYCRDLUSA-N 0 0 390.464 4.108 40 0 GIABRN CCn1c2ccccc2nc1N1CCC(C(=O)N[C@H](C)CCc2ccco2)CC1 ZINC000012116404 204371802 /nfs/dbraw/zinc/37/18/02/204371802.db2.gz JATYBCJQLDKUKP-QGZVFWFLSA-N 0 0 394.519 4.003 40 0 GIABRN O=C(c1ccc(OC2CSC2)cc1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012116144 204372409 /nfs/dbraw/zinc/37/24/09/204372409.db2.gz YZBIYEXXXLRAEZ-FQEVSTJZSA-N 0 0 393.512 4.425 40 0 GIABRN C[C@@H](NC(=O)[C@@H](c1ccccc1)C1CCCCC1)c1nc(-c2cccnc2)n[nH]1 ZINC000012114740 204372413 /nfs/dbraw/zinc/37/24/13/204372413.db2.gz RKSZLFSJGIKTHJ-UZLBHIALSA-N 0 0 389.503 4.408 40 0 GIABRN O=C(CC1CCCCC1)N1CCC[C@H]1Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000012141843 204374323 /nfs/dbraw/zinc/37/43/23/204374323.db2.gz FYTWRHPZJZMTAB-FQEVSTJZSA-N 0 0 397.494 4.011 40 0 GIABRN CCOc1ccc2[nH]c(C(=O)N3CCC(CCn4ccnc4C)CC3)c(C)c2c1 ZINC000012147510 204376270 /nfs/dbraw/zinc/37/62/70/204376270.db2.gz WLUPGUMEWRKBQK-UHFFFAOYSA-N 0 0 394.519 4.322 40 0 GIABRN Cc1ccc(C2(O)CCN(C(=O)CCCc3cn(C)c4ccccc34)CC2)cc1 ZINC000012148669 204377027 /nfs/dbraw/zinc/37/70/27/204377027.db2.gz GEKNKZYWFIGJLS-UHFFFAOYSA-N 0 0 390.527 4.320 40 0 GIABRN Cc1cc(NC(=S)NCCSc2ccccc2)ccc1N1CCCC1=O ZINC000010951475 204340789 /nfs/dbraw/zinc/34/07/89/204340789.db2.gz GZIJHAZWPYCNED-UHFFFAOYSA-N 0 0 385.558 4.201 40 0 GIABRN COc1ccc2cnc([C@H]3CCCN(C(=O)c4c(C)noc4C)C3)cc2c1C ZINC000012187920 204379176 /nfs/dbraw/zinc/37/91/76/204379176.db2.gz ZSXQQIGBRPKGKR-KRWDZBQOSA-N 0 0 379.460 4.176 40 0 GIABRN Fc1ccccc1CCNc1ncc(-c2cnccn2)c(-c2cccs2)n1 ZINC000012184741 204379691 /nfs/dbraw/zinc/37/96/91/204379691.db2.gz JMYMJWXWPHLFNU-UHFFFAOYSA-N 0 0 377.448 4.456 40 0 GIABRN Cc1cc(C(=O)N[C@H](C)c2nc(-c3cccnc3)no2)c2cccc(Cl)c2n1 ZINC000012202409 204382164 /nfs/dbraw/zinc/38/21/64/204382164.db2.gz SKEVHZCUJYUEQC-GFCCVEGCSA-N 0 0 393.834 4.133 40 0 GIABRN C[C@@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)c1ccc(F)c(F)c1 ZINC000012222726 204384759 /nfs/dbraw/zinc/38/47/59/204384759.db2.gz CTBLVADERMBVDW-JTQLQIEISA-N 0 0 383.320 4.152 40 0 GIABRN O=C(c1cc2cccc(F)c2[nH]1)N1CCC[C@H]([C@H]2CC(=O)c3ccccc3O2)C1 ZINC000012237027 204386582 /nfs/dbraw/zinc/38/65/82/204386582.db2.gz OYSMCDZFGNTWMJ-YCRPNKLZSA-N 0 0 392.430 4.193 40 0 GIABRN Cc1ccc2n1CCN(C(=O)c1cc(=O)c3cc(C)c(C)cc3o1)[C@@H]2C(C)C ZINC000012290534 204388685 /nfs/dbraw/zinc/38/86/85/204388685.db2.gz MKBSXOOWAZZGMC-JOCHJYFZSA-N 0 0 378.472 4.373 40 0 GIABRN O=C(/C=C/c1ccc(N2CCCC2=O)cc1)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000012775865 204446642 /nfs/dbraw/zinc/44/66/42/204446642.db2.gz IPLBPPXGIYGMNF-FPRCLYBRSA-N 0 0 380.410 4.064 40 0 GIABRN O=C(CSCc1cccc(Cl)c1)Nc1ccc(N2CCOCC2)cc1 ZINC000014871110 204543497 /nfs/dbraw/zinc/54/34/97/204543497.db2.gz XOFVBMODDZMJNX-UHFFFAOYSA-N 0 0 376.909 4.049 40 0 GIABRN COc1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)c1 ZINC000036616851 204565491 /nfs/dbraw/zinc/56/54/91/204565491.db2.gz LNWIBJLSJIORPO-UHFFFAOYSA-N 0 0 390.418 4.437 40 0 GIABRN CC(=O)n1c(-c2ccccc2)nc2c1SC(c1cccs1)=NN2C(C)=O ZINC000016777601 204600862 /nfs/dbraw/zinc/60/08/62/204600862.db2.gz WLFLYIRQMPBKIB-UHFFFAOYSA-N 0 0 382.470 4.092 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C(=O)[C@@H]1CC=CCC1 ZINC000019017455 204623232 /nfs/dbraw/zinc/62/32/32/204623232.db2.gz BLVPXYHJDRSFBB-MSYGRNIXSA-N 0 0 398.522 4.268 40 0 GIABRN Cc1cccc(-c2noc(CCC(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)n2)c1 ZINC000019659688 204667780 /nfs/dbraw/zinc/66/77/80/204667780.db2.gz DIGOKINLDWDHAI-GOSISDBHSA-N 0 0 391.471 4.396 40 0 GIABRN C[C@@H](CC(=O)NCCc1ccc(C(F)(F)F)cc1)n1cnc2ccccc21 ZINC000019659839 204668016 /nfs/dbraw/zinc/66/80/16/204668016.db2.gz GMBTVSAKINSQSD-AWEZNQCLSA-N 0 0 375.394 4.365 40 0 GIABRN CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000019691452 204669585 /nfs/dbraw/zinc/66/95/85/204669585.db2.gz LXXOXCLXYJHVIM-GFCCVEGCSA-N 0 0 388.364 4.271 40 0 GIABRN CCc1cc(C(=O)Nc2cc(-c3csnn3)ccc2C)c2c(C)noc2n1 ZINC000019714517 204674987 /nfs/dbraw/zinc/67/49/87/204674987.db2.gz UNXFWKOOYGNHIN-UHFFFAOYSA-N 0 0 379.445 4.173 40 0 GIABRN Cc1cccc(CN(CCc2ccccc2)C(=O)c2ccc3c(c2)ncn3C)n1 ZINC000019718612 204677325 /nfs/dbraw/zinc/67/73/25/204677325.db2.gz JCHASHQDSXPTSW-UHFFFAOYSA-N 0 0 384.483 4.162 40 0 GIABRN Cc1sc(NC(=O)c2ccccc2Cn2cncn2)nc1-c1ccc(F)cc1 ZINC000019555616 204654246 /nfs/dbraw/zinc/65/42/46/204654246.db2.gz OWERHJPDWPXSRH-UHFFFAOYSA-N 0 0 393.447 4.150 40 0 GIABRN COc1ccc2[nH]c3c(c2c1)CCN(Cc1ccc(O)cc1)[C@@H]3c1cccnc1 ZINC000019563275 204655525 /nfs/dbraw/zinc/65/55/25/204655525.db2.gz UKVDLTXTYNYWFR-XMMPIXPASA-N 0 0 385.467 4.425 40 0 GIABRN CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)C2CCC2)C1 ZINC000019591036 204663809 /nfs/dbraw/zinc/66/38/09/204663809.db2.gz KQKBZNBGDVPFIU-RUZDIDTESA-N 0 0 390.527 4.051 40 0 GIABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccc(F)cc1 ZINC000020151895 204704757 /nfs/dbraw/zinc/70/47/57/204704757.db2.gz AAUHQBAHRUMYAW-UHFFFAOYSA-N 0 0 384.432 4.013 40 0 GIABRN CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)NC(C)C)cc1OCC ZINC000020456117 204720186 /nfs/dbraw/zinc/72/01/86/204720186.db2.gz WDRHMGJIJLWBRN-UHFFFAOYSA-N 0 0 398.503 4.194 40 0 GIABRN CC[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccc(OC)cc1 ZINC000020481584 204720676 /nfs/dbraw/zinc/72/06/76/204720676.db2.gz TZQRQTGWTXOGER-QGZVFWFLSA-N 0 0 378.266 4.104 40 0 GIABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000020491957 204722255 /nfs/dbraw/zinc/72/22/55/204722255.db2.gz CPOMLFWXMOIQPH-KRWDZBQOSA-N 0 0 377.868 4.173 40 0 GIABRN Cc1nnc2sc(-c3ccc(NC(=O)c4cccc(OC(C)C)c4)cc3)nn12 ZINC000020609822 204731458 /nfs/dbraw/zinc/73/14/58/204731458.db2.gz ZFVRUTBHJURENI-UHFFFAOYSA-N 0 0 393.472 4.201 40 0 GIABRN CCCc1nnc2sc(-c3cccc(NC(=O)c4ccccc4C)c3)nn12 ZINC000020609613 204732274 /nfs/dbraw/zinc/73/22/74/204732274.db2.gz AINFNDWLGIMKKR-UHFFFAOYSA-N 0 0 377.473 4.366 40 0 GIABRN CCn1cc(C(=O)Nc2ccc(F)c(F)c2F)c(=O)c2cc(Cl)ccc21 ZINC000022235056 204777321 /nfs/dbraw/zinc/77/73/21/204777321.db2.gz YRTYPHBDYPQIEH-UHFFFAOYSA-N 0 0 380.753 4.344 40 0 GIABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000022519925 204782920 /nfs/dbraw/zinc/78/29/20/204782920.db2.gz JXEHALNCFLVSII-LJQANCHMSA-N 0 0 393.314 4.500 40 0 GIABRN C[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(F)cc1 ZINC000022622555 204784898 /nfs/dbraw/zinc/78/48/98/204784898.db2.gz MIVIKPYLEAHJPO-JTQLQIEISA-N 0 0 386.648 4.498 40 0 GIABRN O=C(Nc1ccc(O)cc1)C1=CC[C@@H](OC(F)(F)[C@H](F)C(F)(F)F)C=C1 ZINC000026787331 204848588 /nfs/dbraw/zinc/84/85/88/204848588.db2.gz CKDGHWXCDBMQOS-GXTWGEPZSA-N 0 0 381.272 4.095 40 0 GIABRN CC(C)C(NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)C(C)C ZINC000038849188 205040926 /nfs/dbraw/zinc/04/09/26/205040926.db2.gz BVMRNEJEIVPIGK-UHFFFAOYSA-N 0 0 395.385 4.458 40 0 GIABRN CCCCOc1ccc2cc(S(=O)(=O)n3nnc4ccccc43)ccc2c1 ZINC000036636386 205020618 /nfs/dbraw/zinc/02/06/18/205020618.db2.gz SIUUOMONDMQOIJ-UHFFFAOYSA-N 0 0 381.457 4.000 40 0 GIABRN CCOc1ccc([C@@H]2CCCN2C(=O)c2ccccc2Cn2cccn2)cc1 ZINC000036748785 205021038 /nfs/dbraw/zinc/02/10/38/205021038.db2.gz MNZWUDYXPXBHOB-QFIPXVFZSA-N 0 0 375.472 4.307 40 0 GIABRN O=C(CCc1ccccc1F)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000037127921 205021819 /nfs/dbraw/zinc/02/18/19/205021819.db2.gz GSRAUSYXTNWUEQ-UHFFFAOYSA-N 0 0 376.431 4.327 40 0 GIABRN CCOc1ccc(-c2nn3c(nnc3C(F)(F)F)s2)cc1Br ZINC000073634385 205031062 /nfs/dbraw/zinc/03/10/62/205031062.db2.gz FYBDHCUPEQYJDJ-UHFFFAOYSA-N 0 0 393.188 4.033 40 0 GIABRN CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)N(C3CC3)c3nc4ccccc4n32)cc1 ZINC000039964092 205044071 /nfs/dbraw/zinc/04/40/71/205044071.db2.gz WPCPFPHBDKHLHH-HXUWFJFHSA-N 0 0 388.471 4.239 40 0 GIABRN Cc1ccc(NC(=O)C[C@@H]2C(=O)N(C3CC3)c3nc4ccccc4n32)c(Cl)c1 ZINC000039964152 205044587 /nfs/dbraw/zinc/04/45/87/205044587.db2.gz YETICSGNGVPPDM-GOSISDBHSA-N 0 0 394.862 4.077 40 0 GIABRN CCN(CC(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000039986791 205045711 /nfs/dbraw/zinc/04/57/11/205045711.db2.gz HZFKULKVHNGCAG-UHFFFAOYSA-N 0 0 394.924 4.113 40 0 GIABRN CCOC(=O)c1cc(NS(=O)(=O)Cc2cccc(Cl)c2)ccc1Cl ZINC000044883819 205087305 /nfs/dbraw/zinc/08/73/05/205087305.db2.gz BUSRPUJTOQSEMC-UHFFFAOYSA-N 0 0 388.272 4.112 40 0 GIABRN CC[C@@H](NC(=O)c1ccc(Cn2ccnc2C)cc1)c1ccc(OC)c(OC)c1 ZINC000044856878 205087705 /nfs/dbraw/zinc/08/77/05/205087705.db2.gz JLVFEGCWUHSHBE-HXUWFJFHSA-N 0 0 393.487 4.138 40 0 GIABRN CCOc1ccc(CCCNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1OC ZINC000044849339 205087878 /nfs/dbraw/zinc/08/78/78/205087878.db2.gz ZTTXCEGYAQEFMA-HNNXBMFYSA-N 0 0 391.895 4.264 40 0 GIABRN CC[C@H](NC(=O)c1ccc(Cn2ccnc2C)cc1)c1ccc(OC)c(OC)c1 ZINC000044856877 205088551 /nfs/dbraw/zinc/08/85/51/205088551.db2.gz JLVFEGCWUHSHBE-FQEVSTJZSA-N 0 0 393.487 4.138 40 0 GIABRN CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000045830704 205097291 /nfs/dbraw/zinc/09/72/91/205097291.db2.gz VNXRADMRXKCRPA-UHFFFAOYSA-N 0 0 398.459 4.441 40 0 GIABRN CCOC(=O)c1ccccc1Nc1cc(N)nc(-c2ccc(OCC)cc2)n1 ZINC000049468094 205128948 /nfs/dbraw/zinc/12/89/48/205128948.db2.gz DHYSHOGPLHPPPZ-UHFFFAOYSA-N 0 0 378.432 4.045 40 0 GIABRN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cn1 ZINC000055373867 205147384 /nfs/dbraw/zinc/14/73/84/205147384.db2.gz IWLQMHYCURCLAK-UHFFFAOYSA-N 0 0 381.259 4.084 40 0 GIABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2nc(-c3ccccc3)no2)c1 ZINC000051261008 205132065 /nfs/dbraw/zinc/13/20/65/205132065.db2.gz GXZQRXOQWHAFHH-MRXNPFEDSA-N 0 0 379.460 4.252 40 0 GIABRN CSc1ccc(S(=O)(=O)N(C)c2ccc(Br)cc2F)cc1 ZINC000064477067 205190472 /nfs/dbraw/zinc/19/04/72/205190472.db2.gz RCZPPHASIRDDQR-UHFFFAOYSA-N 0 0 390.299 4.135 40 0 GIABRN O=C([O-])CC[NH+]1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000067665024 205253312 /nfs/dbraw/zinc/25/33/12/205253312.db2.gz DHTCSDVDDQFTPZ-UHFFFAOYSA-N 0 0 382.891 4.206 40 0 in-vitro GIABRN O=C(NCc1ccc2ccccc2c1)c1ccccc1I ZINC000071861484 205298963 /nfs/dbraw/zinc/29/89/63/205298963.db2.gz UXZYUSQSCPIZMI-UHFFFAOYSA-N 0 0 387.220 4.374 40 0 GIABRN COc1ccc(-c2cc(-c3cccc(Br)c3)nc(N)n2)cc1OC ZINC000071978030 205301116 /nfs/dbraw/zinc/30/11/16/205301116.db2.gz YVTUIOKFKZXFNM-UHFFFAOYSA-N 0 0 386.249 4.173 40 0 GIABRN CCC(CC)C(=O)N1CCC[C@H](c2cc(C(F)(F)F)n3nc(C)cc3n2)C1 ZINC000072340902 205327982 /nfs/dbraw/zinc/32/79/82/205327982.db2.gz CKLWALAAZAVPGS-AWEZNQCLSA-N 0 0 382.430 4.199 40 0 GIABRN O=c1[nH]c(-c2ccncc2)nc2c1CN(Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000072339807 205328242 /nfs/dbraw/zinc/32/82/42/205328242.db2.gz KUNXAWOEXSVAAK-UHFFFAOYSA-N 0 0 387.270 4.109 40 0 GIABRN O=C(Cc1cccnc1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 ZINC000072349398 205330098 /nfs/dbraw/zinc/33/00/98/205330098.db2.gz DBUCGMGQXBKPIY-UHFFFAOYSA-N 0 0 389.474 4.155 40 0 GIABRN COc1cccc(Cc2cccc([C@H]3CCCN(C(=O)c4cccnc4)C3)n2)c1 ZINC000072349121 205330640 /nfs/dbraw/zinc/33/06/40/205330640.db2.gz DVVGBIGYYOBSBT-FQEVSTJZSA-N 0 0 387.483 4.096 40 0 GIABRN COc1cccc(Cc2cccc(C3CCN(C(=O)c4cccnc4)CC3)n2)c1 ZINC000072349119 205330740 /nfs/dbraw/zinc/33/07/40/205330740.db2.gz JLERRNKZSWIIPG-UHFFFAOYSA-N 0 0 387.483 4.096 40 0 GIABRN O=C(c1cccnc1)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 ZINC000072349115 205330806 /nfs/dbraw/zinc/33/08/06/205330806.db2.gz DDISGXMDMGCITH-UHFFFAOYSA-N 0 0 375.447 4.226 40 0 GIABRN Cc1n[nH]cc1C(=O)N1CCC(c2cccc(Cc3ccccc3Cl)n2)CC1 ZINC000072349764 205330958 /nfs/dbraw/zinc/33/09/58/205330958.db2.gz FHIMKJRVFOEEPJ-UHFFFAOYSA-N 0 0 394.906 4.377 40 0 GIABRN COc1ccc(-c2cccc([C@H]3CCCN(C(=O)Cc4ccncc4)C3)n2)cc1 ZINC000072349431 205331451 /nfs/dbraw/zinc/33/14/51/205331451.db2.gz SLTODWHIUFXQLK-FQEVSTJZSA-N 0 0 387.483 4.101 40 0 GIABRN Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN2C(=O)CCc2ccccc2)n1 ZINC000072354695 205332679 /nfs/dbraw/zinc/33/26/79/205332679.db2.gz OMDLZMKEVUGLCJ-FQEVSTJZSA-N 0 0 390.462 4.161 40 0 GIABRN CC(=O)N(C)c1ccc(CN2CCc3onc(Nc4cccc(F)c4)c3C2)cc1 ZINC000072352959 205333320 /nfs/dbraw/zinc/33/33/20/205333320.db2.gz WYXAJTORAZQVFT-UHFFFAOYSA-N 0 0 394.450 4.098 40 0 GIABRN CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(Br)cc1 ZINC000072228972 205318879 /nfs/dbraw/zinc/31/88/79/205318879.db2.gz DFRWKTKQYGLQKV-UHFFFAOYSA-N 0 0 385.265 4.153 40 0 GIABRN O=C(c1cccnc1)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358707 205334864 /nfs/dbraw/zinc/33/48/64/205334864.db2.gz JQPCWTLDYAWQAW-QGZVFWFLSA-N 0 0 378.863 4.212 40 0 GIABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCCN2C(=O)c2cccnc2)n1 ZINC000072376949 205336900 /nfs/dbraw/zinc/33/69/00/205336900.db2.gz MOOSTBIJYVUBHL-GOSISDBHSA-N 0 0 393.878 4.142 40 0 GIABRN Cc1nnc(Nc2cccc(C3CCN(C(=O)c4ccccc4)CC3)n2)s1 ZINC000072376128 205338326 /nfs/dbraw/zinc/33/83/26/205338326.db2.gz IXEJCRDRIKRENS-UHFFFAOYSA-N 0 0 379.489 4.005 40 0 GIABRN CCc1nccn1-c1cccc(C2CCN(C(=O)CCc3ccccc3)CC2)n1 ZINC000072378521 205339928 /nfs/dbraw/zinc/33/99/28/205339928.db2.gz ISXFUQGVUYQRCM-UHFFFAOYSA-N 0 0 388.515 4.169 40 0 GIABRN c1csc([N-]c2nccc([C@@H]3CCC[N@H+]3Cc3ccc4[nH]ccc4c3)n2)n1 ZINC000072378112 205340216 /nfs/dbraw/zinc/34/02/16/205340216.db2.gz HFOQQJLOXARVLI-SFHVURJKSA-N 0 0 376.489 4.495 40 0 GIABRN CCC(=O)N1CCC[C@@](Cc2cccc(-c3cccc(F)c3)c2)(C(=O)N(C)C)C1 ZINC000072391546 205340759 /nfs/dbraw/zinc/34/07/59/205340759.db2.gz URDHEYIVGFNYPZ-DEOSSOPVSA-N 0 0 396.506 4.142 40 0 GIABRN Cc1ccc(-c2cccc(C[C@]3(C(=O)N(C)C)CCN(C(=O)C(C)C)C3)c2)cc1 ZINC000072390547 205341801 /nfs/dbraw/zinc/34/18/01/205341801.db2.gz NOFVTMNTDWOMKY-RUZDIDTESA-N 0 0 392.543 4.167 40 0 GIABRN Cc1nc(C(=O)N2CCCC[C@@H]2c2nc(C)cc(Oc3ccccc3F)n2)co1 ZINC000072384494 205342351 /nfs/dbraw/zinc/34/23/51/205342351.db2.gz CMXFKSJJIFHKTP-QGZVFWFLSA-N 0 0 396.422 4.380 40 0 GIABRN Cn1cnc2c1cc(C1CCN(C(=O)c3ccoc3)CC1)nc2-c1ccccc1 ZINC000096099933 205524758 /nfs/dbraw/zinc/52/47/58/205524758.db2.gz SHVNYMGGCHOBQF-UHFFFAOYSA-N 0 0 386.455 4.248 40 0 GIABRN COc1cccc(-c2nc(-c3noc4ccc(C(=O)NC5CC5)cc43)co2)c1 ZINC000096088135 205524798 /nfs/dbraw/zinc/52/47/98/205524798.db2.gz RWNDGEXEGQTLPL-UHFFFAOYSA-N 0 0 375.384 4.051 40 0 GIABRN Cc1ccc(CNC(=O)c2nc(-c3cn(-c4ccccc4)cn3)n3ccccc23)o1 ZINC000096155064 205536037 /nfs/dbraw/zinc/53/60/37/205536037.db2.gz JJTURONEOMWQCX-UHFFFAOYSA-N 0 0 397.438 4.018 40 0 GIABRN C[C@@H]1CCCC[C@H]1NC(=O)c1ccnn1-c1ccc2ccc(-c3ccncc3)cn21 ZINC000096155266 205536799 /nfs/dbraw/zinc/53/67/99/205536799.db2.gz QPKGCHVVQZRWHG-DYESRHJHSA-N 0 0 399.498 4.496 40 0 GIABRN C[C@H]1CCCC[C@@H]1NC(=O)c1ccnn1-c1ccc2ccc(-c3ccncc3)cn21 ZINC000096155265 205537017 /nfs/dbraw/zinc/53/70/17/205537017.db2.gz QPKGCHVVQZRWHG-UWJYYQICSA-N 0 0 399.498 4.496 40 0 GIABRN CCCCN(CC)C(=O)c1cc(-c2cnc(Nc3ccccc3)nc2)cn1C ZINC000096037605 205516953 /nfs/dbraw/zinc/51/69/53/205516953.db2.gz QGCIPGHKSNFEGS-UHFFFAOYSA-N 0 0 377.492 4.488 40 0 GIABRN Cc1ccc(NC(=O)[C@@H]2C[C@]3(CO2)CN(Cc2ccccc2)c2ccccc23)nc1 ZINC000096262848 205553112 /nfs/dbraw/zinc/55/31/12/205553112.db2.gz WUAVNSYIZCOIHU-WIOPSUGQSA-N 0 0 399.494 4.076 40 0 GIABRN Cc1cc(C)c(N2C(=O)C[C@H](Nc3ccccc3Br)C2=O)c(C)c1 ZINC000101275646 205619417 /nfs/dbraw/zinc/61/94/17/205619417.db2.gz PNCUVKMYDPSMMS-INIZCTEOSA-N 0 0 387.277 4.118 40 0 GIABRN CC(=O)Nc1ccc2ccccc2c1S[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000104322081 205651150 /nfs/dbraw/zinc/65/11/50/205651150.db2.gz CFOGLLSLMDUSGH-IBGZPJMESA-N 0 0 390.464 4.222 40 0 GIABRN CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C)cc2C)c1 ZINC000001343588 205709588 /nfs/dbraw/zinc/70/95/88/205709588.db2.gz ZZBSMMBSHNOYBX-HXUWFJFHSA-N 0 0 379.460 4.141 40 0 GIABRN Cc1occc1-c1nnc(SCC(=O)NC(C)(C)C)n1-c1ccc(C)cc1 ZINC000001361168 205711845 /nfs/dbraw/zinc/71/18/45/205711845.db2.gz WXRWGPCBYVZBJQ-UHFFFAOYSA-N 0 0 384.505 4.151 40 0 GIABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(C)=O)cc2c1 ZINC000001366951 205712114 /nfs/dbraw/zinc/71/21/14/205712114.db2.gz DNBOFQGLCMKKAZ-UHFFFAOYSA-N 0 0 384.863 4.129 40 0 GIABRN COc1ccc(-c2noc(CCC(=O)NCc3cccc4ccccc43)n2)cc1 ZINC000121443741 205684908 /nfs/dbraw/zinc/68/49/08/205684908.db2.gz JARGPUMVYOGRJD-UHFFFAOYSA-N 0 0 387.439 4.147 40 0 GIABRN Cn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cn1 ZINC000225596053 205689110 /nfs/dbraw/zinc/68/91/10/205689110.db2.gz RIGYQZYGTOVKFZ-KFFSVUERSA-N 0 0 384.564 4.178 40 0 GIABRN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(F)c3)C(=O)[C@H]12 ZINC000000777861 205694292 /nfs/dbraw/zinc/69/42/92/205694292.db2.gz YMZFIVUOLLUHHE-LQDNNDEMSA-N 0 0 383.422 4.396 40 0 GIABRN Cc1cccc2cc(C)c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc12 ZINC000000875720 205699172 /nfs/dbraw/zinc/69/91/72/205699172.db2.gz IZBFBTJKDRLAKI-UHFFFAOYSA-N 0 0 380.469 4.354 40 0 GIABRN Cc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc1 ZINC000000877925 205699889 /nfs/dbraw/zinc/69/98/89/205699889.db2.gz HXABJLHWUYAKEN-UHFFFAOYSA-N 0 0 384.526 4.157 40 0 GIABRN CCCC(=O)Nc1sc(C(=O)Nc2cc(C)ccc2C)c(C)c1C(=O)OC ZINC000000871494 205700156 /nfs/dbraw/zinc/70/01/56/205700156.db2.gz RQIBICIQVGLKIK-UHFFFAOYSA-N 0 0 388.489 4.451 40 0 GIABRN Cc1ccc(NC(=S)NC(=O)C=Cc2cccs2)cc1Br ZINC000000894393 205700434 /nfs/dbraw/zinc/70/04/34/205700434.db2.gz HCLHNGZCGNVAAN-VOTSOKGWSA-N 0 0 381.320 4.345 40 0 GIABRN Cc1ccc(NCc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2C)cc1 ZINC000000917669 205702941 /nfs/dbraw/zinc/70/29/41/205702941.db2.gz MRRHBIRPZDWXGV-UHFFFAOYSA-N 0 0 395.532 4.083 40 0 GIABRN CSc1nnc(COc2ccc(Br)cc2)n1Cc1ccccc1 ZINC000000916384 205703019 /nfs/dbraw/zinc/70/30/19/205703019.db2.gz GNRQWPJWAYPCMI-UHFFFAOYSA-N 0 0 390.306 4.390 40 0 GIABRN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1Cc1ccco1 ZINC000004860325 205752979 /nfs/dbraw/zinc/75/29/79/205752979.db2.gz YGBDBOGSRZEGDB-UHFFFAOYSA-N 0 0 394.456 4.219 40 0 GIABRN Cc1ccc(C(=O)NC2CCN(C(=S)Nc3cccc(C)c3C)CC2)cc1 ZINC000004857698 205753474 /nfs/dbraw/zinc/75/34/74/205753474.db2.gz VGPRJHIPXXFACT-UHFFFAOYSA-N 0 0 381.545 4.203 40 0 GIABRN Cc1cccc(C(=O)NC2CCN(C(=S)Nc3cccc(C)c3C)CC2)c1 ZINC000004857708 205753896 /nfs/dbraw/zinc/75/38/96/205753896.db2.gz YZOWATNCYWXMNE-UHFFFAOYSA-N 0 0 381.545 4.203 40 0 GIABRN O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3ccc(Cl)cc3)c12 ZINC000004237382 205740553 /nfs/dbraw/zinc/74/05/53/205740553.db2.gz JCIMYPMRRGVBIQ-GOEBONIOSA-N 0 0 394.858 4.021 40 0 biogenic,in-vitro GIABRN Cc1c(F)cccc1NC(=O)Cn1cc(C=O)c2cc(Br)ccc21 ZINC000006043940 205819010 /nfs/dbraw/zinc/81/90/10/205819010.db2.gz BBILCAZMRQXDLS-UHFFFAOYSA-N 0 0 389.224 4.303 40 0 GIABRN C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000195529045 205918793 /nfs/dbraw/zinc/91/87/93/205918793.db2.gz LSELYNHNNZHEKN-DVZHBHJUSA-N 0 0 377.485 4.297 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc(OC)c2)cc1 ZINC000216304197 205931152 /nfs/dbraw/zinc/93/11/52/205931152.db2.gz UTHCUEPWXJIITI-FQEVSTJZSA-N 0 0 385.460 4.448 40 0 GIABRN COc1ccc(CCCNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OC ZINC000218924707 205950647 /nfs/dbraw/zinc/95/06/47/205950647.db2.gz LJBCMTHUMDWPSF-UHFFFAOYSA-N 0 0 391.895 4.102 40 0 GIABRN O=C(COc1cccc2ccccc21)NCc1nc(-c2ccccc2Cl)no1 ZINC000218916326 205951361 /nfs/dbraw/zinc/95/13/61/205951361.db2.gz KLXOQAPGHVNTDA-UHFFFAOYSA-N 0 0 393.830 4.238 40 0 GIABRN CC(C)(C)c1ccc(OCC(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000218935298 205951416 /nfs/dbraw/zinc/95/14/16/205951416.db2.gz CDFPAMLHYYNAEU-UHFFFAOYSA-N 0 0 399.878 4.383 40 0 GIABRN COc1ccc2c(c1)[C@H](NC(=O)COc1ccc(Cl)c(C)c1)CC(C)(C)O2 ZINC000218941139 205951730 /nfs/dbraw/zinc/95/17/30/205951730.db2.gz GLGBZDNZPBRDFF-GOSISDBHSA-N 0 0 389.879 4.454 40 0 GIABRN O=C(NCc1nc(-c2ccccc2)no1)c1ccccc1OCc1ccccc1 ZINC000218988141 205952141 /nfs/dbraw/zinc/95/21/41/205952141.db2.gz OQLKAARFJNTRCG-UHFFFAOYSA-N 0 0 385.423 4.246 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000219293774 205954837 /nfs/dbraw/zinc/95/48/37/205954837.db2.gz KETDBYSDVYJECX-LBPRGKRZSA-N 0 0 391.880 4.268 40 0 GIABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000219381287 205956890 /nfs/dbraw/zinc/95/68/90/205956890.db2.gz CQSKEZYFKNWTKQ-QGZVFWFLSA-N 0 0 399.878 4.481 40 0 GIABRN c1ccc(-n2nnnc2N2C[C@@H]3[C@@H](C2)C2c4ccccc4C3c3ccccc32)cc1 ZINC000057731673 205961049 /nfs/dbraw/zinc/96/10/49/205961049.db2.gz DWVXKDFGGKSSAK-SSPWFOHLSA-N 0 0 391.478 4.006 40 0 GIABRN CCN(c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1)S(=O)(=O)CC ZINC000222393310 205979467 /nfs/dbraw/zinc/97/94/67/205979467.db2.gz FMABNBMYJMEOJR-UHFFFAOYSA-N 0 0 380.897 4.077 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1Cl ZINC000222934365 205989588 /nfs/dbraw/zinc/98/95/88/205989588.db2.gz OOPDBAOBOLCHSG-CQSZACIVSA-N 0 0 393.314 4.089 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C ZINC000223103450 205991689 /nfs/dbraw/zinc/99/16/89/205991689.db2.gz QPIQBJDABYFYJV-NRFANRHFSA-N 0 0 396.531 4.051 40 0 GIABRN CC[C@H](NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1)c1ccccc1C ZINC000223240478 205994586 /nfs/dbraw/zinc/99/45/86/205994586.db2.gz ZOPBSKBAHSAGBO-KRWDZBQOSA-N 0 0 392.546 4.105 40 0 GIABRN COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1 ZINC000222625481 205982925 /nfs/dbraw/zinc/98/29/25/205982925.db2.gz USKPCIBNNHDMKF-ONGXBYRLSA-N 0 0 390.512 4.470 40 0 GIABRN C[C@@H](NC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccc2c(c1)OCCO2 ZINC000222700969 205984252 /nfs/dbraw/zinc/98/42/52/205984252.db2.gz OKWICJRBOVDNHA-CVEARBPZSA-N 0 0 377.440 4.256 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3Cc3cccnc3)N21 ZINC000222684824 205984311 /nfs/dbraw/zinc/98/43/11/205984311.db2.gz MGGQBKSGUYMUQF-JRGCBEDISA-N 0 0 389.528 4.306 40 0 GIABRN O=C(CSCc1ccccc1F)NCc1nc(-c2ccccc2Cl)no1 ZINC000222713035 205984327 /nfs/dbraw/zinc/98/43/27/205984327.db2.gz PVSHRNVSPOTXMD-UHFFFAOYSA-N 0 0 391.855 4.079 40 0 GIABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3Cc3ccncc3)N21 ZINC000222685978 205985509 /nfs/dbraw/zinc/98/55/09/205985509.db2.gz UIXMXUABUPZMET-DZFGPLHGSA-N 0 0 389.528 4.306 40 0 GIABRN Cc1ccc(C)c(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)C)cc3)no2)c1 ZINC000223620573 206003257 /nfs/dbraw/zinc/00/32/57/206003257.db2.gz SOZHFWZLGBDPEW-UHFFFAOYSA-N 0 0 399.516 4.298 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 ZINC000224271185 206018411 /nfs/dbraw/zinc/01/84/11/206018411.db2.gz NCHVRYJMNUZYIE-HXUWFJFHSA-N 0 0 386.923 4.216 40 0 GIABRN COC[C@H](C)NC(=O)c1ccc(OC)c(COc2cccc3ccccc32)c1 ZINC000224308217 206018427 /nfs/dbraw/zinc/01/84/27/206018427.db2.gz VCTRNERHJRBMDM-INIZCTEOSA-N 0 0 379.456 4.192 40 0 GIABRN CSc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 ZINC000223746374 206005436 /nfs/dbraw/zinc/00/54/36/206005436.db2.gz ANGVUQSWUZGYOC-UHFFFAOYSA-N 0 0 391.558 4.333 40 0 GIABRN COc1ccc(CCNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1OC ZINC000223763868 206005514 /nfs/dbraw/zinc/00/55/14/206005514.db2.gz MBWYZGKCYRLOJT-QGZVFWFLSA-N 0 0 385.504 4.262 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223807435 206005521 /nfs/dbraw/zinc/00/55/21/206005521.db2.gz RBDZKKKPHSVJGH-HXUWFJFHSA-N 0 0 392.543 4.322 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223807409 206005962 /nfs/dbraw/zinc/00/59/62/206005962.db2.gz RDZSLJJNWGUUFW-HXUWFJFHSA-N 0 0 392.543 4.322 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C ZINC000223818055 206006006 /nfs/dbraw/zinc/00/60/06/206006006.db2.gz GAYAXCSNCIHNGX-JOCHJYFZSA-N 0 0 398.522 4.400 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000224266773 206018568 /nfs/dbraw/zinc/01/85/68/206018568.db2.gz FBUOTYFOUZOFCT-HXUWFJFHSA-N 0 0 386.923 4.134 40 0 GIABRN Cc1cccc(OCCNS(=O)(=O)Cc2c(Cl)cccc2Cl)c1C ZINC000223934905 206008517 /nfs/dbraw/zinc/00/85/17/206008517.db2.gz HYVGAMXORHQSEH-UHFFFAOYSA-N 0 0 388.316 4.109 40 0 GIABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccs2)cc1 ZINC000223958887 206008830 /nfs/dbraw/zinc/00/88/30/206008830.db2.gz OJKVGLOOPAUVQO-OALUTQOASA-N 0 0 394.525 4.279 40 0 GIABRN COc1ccc2cc(S(=O)(=O)N[C@H](C)COc3ccc(C)c(C)c3)ccc2c1 ZINC000223946815 206009015 /nfs/dbraw/zinc/00/90/15/206009015.db2.gz LVQKCKOVEBMDBD-QGZVFWFLSA-N 0 0 399.512 4.211 40 0 GIABRN Cc1cccc(OCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1C ZINC000223933539 206009136 /nfs/dbraw/zinc/00/91/36/206009136.db2.gz OKRIXAWAMRAZKE-UHFFFAOYSA-N 0 0 388.316 4.109 40 0 GIABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCC ZINC000224328739 206018924 /nfs/dbraw/zinc/01/89/24/206018924.db2.gz FNLGIBXJXPRHSP-NRFANRHFSA-N 0 0 384.495 4.092 40 0 GIABRN Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 ZINC000223932360 206009481 /nfs/dbraw/zinc/00/94/81/206009481.db2.gz SRLDUTOLADALSF-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN Cc1nc(NC(=S)NCCCc2ccc(F)cc2)ccc1Br ZINC000223965914 206009761 /nfs/dbraw/zinc/00/97/61/206009761.db2.gz JUBNBVUNVXZHFN-UHFFFAOYSA-N 0 0 382.302 4.211 40 0 GIABRN CCC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000223996727 206010773 /nfs/dbraw/zinc/01/07/73/206010773.db2.gz YEMJKQZSJIWBIY-AWEZNQCLSA-N 0 0 392.546 4.128 40 0 GIABRN Cc1ccc(C)c(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000224080126 206012415 /nfs/dbraw/zinc/01/24/15/206012415.db2.gz LQRUJAKSFRHDGN-SFHVURJKSA-N 0 0 398.522 4.317 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C ZINC000224133879 206013073 /nfs/dbraw/zinc/01/30/73/206013073.db2.gz URXKAYWKLFIREK-NRFANRHFSA-N 0 0 396.531 4.132 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc(C)cc1 ZINC000224094566 206013601 /nfs/dbraw/zinc/01/36/01/206013601.db2.gz FTPUUWRLOWMBDI-OAQYLSRUSA-N 0 0 398.572 4.172 40 0 GIABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000224113412 206013806 /nfs/dbraw/zinc/01/38/06/206013806.db2.gz OEIGGDJPUCIIBK-QFIPXVFZSA-N 0 0 378.516 4.095 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 ZINC000224180704 206014993 /nfs/dbraw/zinc/01/49/93/206014993.db2.gz MVIPFJQXZWCSES-JOCHJYFZSA-N 0 0 380.532 4.098 40 0 GIABRN CCc1ccc(OCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000224178362 206015268 /nfs/dbraw/zinc/01/52/68/206015268.db2.gz KCMZAKCQFUDSRF-UHFFFAOYSA-N 0 0 388.316 4.054 40 0 GIABRN COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(C)cc1 ZINC000224198224 206016347 /nfs/dbraw/zinc/01/63/47/206016347.db2.gz RIGUMUCYSIKXIM-RTWAWAEBSA-N 0 0 392.528 4.015 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000223506015 206000890 /nfs/dbraw/zinc/00/08/90/206000890.db2.gz KATXQCSQRTTZKL-SFHVURJKSA-N 0 0 384.545 4.031 40 0 GIABRN Cc1cc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)ccc1N1CCCC1=O ZINC000223474143 206000920 /nfs/dbraw/zinc/00/09/20/206000920.db2.gz AZBOAPOWWLQAQH-KRWDZBQOSA-N 0 0 392.499 4.407 40 0 GIABRN Cc1cc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)ccc1N1CCCC1=O ZINC000223474089 206001275 /nfs/dbraw/zinc/00/12/75/206001275.db2.gz AZBOAPOWWLQAQH-QGZVFWFLSA-N 0 0 392.499 4.407 40 0 GIABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2C)cc1 ZINC000224330535 206019142 /nfs/dbraw/zinc/01/91/42/206019142.db2.gz JCSIJAXBTGFCNL-LEWJYISDSA-N 0 0 376.529 4.468 40 0 GIABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C ZINC000224396178 206020841 /nfs/dbraw/zinc/02/08/41/206020841.db2.gz DLBYVZXKAHWPOX-UXHICEINSA-N 0 0 380.492 4.353 40 0 GIABRN O=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000224540751 206022931 /nfs/dbraw/zinc/02/29/31/206022931.db2.gz HGFOAWANSGSQSL-UHFFFAOYSA-N 0 0 398.459 4.198 40 0 GIABRN Cn1c(=O)sc2cc(NC(=O)CCc3ccc(Cl)cc3Cl)ccc21 ZINC000225071698 206035624 /nfs/dbraw/zinc/03/56/24/206035624.db2.gz QQEMXOWQNZVJKJ-UHFFFAOYSA-N 0 0 381.284 4.478 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1C ZINC000224592603 206024178 /nfs/dbraw/zinc/02/41/78/206024178.db2.gz AYSIGFBIFRHTIQ-QHCPKHFHSA-N 0 0 394.559 4.426 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)C)c1 ZINC000224644147 206024789 /nfs/dbraw/zinc/02/47/89/206024789.db2.gz OGPLVBVTAKHRPH-QGZVFWFLSA-N 0 0 386.923 4.133 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 ZINC000224629340 206025024 /nfs/dbraw/zinc/02/50/24/206025024.db2.gz OSDMHBPBVQVSHF-QFIPXVFZSA-N 0 0 398.522 4.256 40 0 GIABRN CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000224614391 206025773 /nfs/dbraw/zinc/02/57/73/206025773.db2.gz ZWZSZJURXZZTOO-FQEVSTJZSA-N 0 0 376.456 4.477 40 0 GIABRN CCN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224619236 206025799 /nfs/dbraw/zinc/02/57/99/206025799.db2.gz OYNNDGHUYBMZQB-UHFFFAOYSA-N 0 0 390.288 4.226 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F ZINC000224666217 206026146 /nfs/dbraw/zinc/02/61/46/206026146.db2.gz KQJRRXKWZTXHTK-JOCHJYFZSA-N 0 0 398.522 4.256 40 0 GIABRN Cc1ccccc1CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC1CCCCC1 ZINC000224677073 206026562 /nfs/dbraw/zinc/02/65/62/206026562.db2.gz ZMMFAPTVTIQREE-HXUWFJFHSA-N 0 0 392.543 4.404 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000224815117 206028416 /nfs/dbraw/zinc/02/84/16/206028416.db2.gz MGZLZKPLNZBGRJ-KRWDZBQOSA-N 0 0 386.923 4.216 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 ZINC000224847013 206028816 /nfs/dbraw/zinc/02/88/16/206028816.db2.gz CSMBCXKGUGUPQO-KRWDZBQOSA-N 0 0 386.923 4.134 40 0 GIABRN CCC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224815581 206029207 /nfs/dbraw/zinc/02/92/07/206029207.db2.gz FDHYPHXBOSHWOO-QHCPKHFHSA-N 0 0 392.543 4.404 40 0 GIABRN CSc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1NC(=O)C(C)C ZINC000224849425 206029264 /nfs/dbraw/zinc/02/92/64/206029264.db2.gz GEIFPEVXKUQQEW-UHFFFAOYSA-N 0 0 396.578 4.172 40 0 GIABRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccs2)c1 ZINC000224827146 206029632 /nfs/dbraw/zinc/02/96/32/206029632.db2.gz FIALHFPOUIDEIE-RBUKOAKNSA-N 0 0 397.525 4.337 40 0 GIABRN CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(OC)cc3OC)o2)cc1 ZINC000224859147 206029776 /nfs/dbraw/zinc/02/97/76/206029776.db2.gz PQFKVLKDLXFZBI-UHFFFAOYSA-N 0 0 396.443 4.329 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1Cl ZINC000224955015 206030125 /nfs/dbraw/zinc/03/01/25/206030125.db2.gz LQFZESMCHVYSJB-UHFFFAOYSA-N 0 0 380.897 4.140 40 0 GIABRN CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1O ZINC000224884490 206030219 /nfs/dbraw/zinc/03/02/19/206030219.db2.gz PRFDKXBRTYUCEB-RTBURBONSA-N 0 0 398.919 4.439 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000225091158 206036000 /nfs/dbraw/zinc/03/60/00/206036000.db2.gz RYOONHMZCBSCKQ-QFIPXVFZSA-N 0 0 380.532 4.261 40 0 GIABRN CCOc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@H](C)COC)o2)cc1 ZINC000224923769 206030552 /nfs/dbraw/zinc/03/05/52/206030552.db2.gz JKEICPDPVBBOIS-OAHLLOKOSA-N 0 0 380.444 4.172 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccnc2)N1C1CCCC1 ZINC000225006437 206032186 /nfs/dbraw/zinc/03/21/86/206032186.db2.gz QPNSQEJTUMLRCJ-NHCUHLMSSA-N 0 0 389.528 4.182 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 ZINC000224974669 206032671 /nfs/dbraw/zinc/03/26/71/206032671.db2.gz BACUZBFKPVUFHW-RTBURBONSA-N 0 0 398.572 4.419 40 0 GIABRN O=C(NCCCc1ccccc1Cl)c1cccc(I)c1 ZINC000224964130 206032703 /nfs/dbraw/zinc/03/27/03/206032703.db2.gz CNOPISBAXLOLRR-UHFFFAOYSA-N 0 0 399.659 4.307 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000225010976 206033907 /nfs/dbraw/zinc/03/39/07/206033907.db2.gz PPQDMRKUEHBJDG-DLBZAZTESA-N 0 0 386.923 4.215 40 0 GIABRN CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSc1ccc(C)cc1 ZINC000225040392 206033970 /nfs/dbraw/zinc/03/39/70/206033970.db2.gz KJIXITLNGJCEDC-IBGZPJMESA-N 0 0 398.572 4.073 40 0 GIABRN CN(c1cccc(Br)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225046054 206033994 /nfs/dbraw/zinc/03/39/94/206033994.db2.gz CNSZFQSUXJCOHR-UHFFFAOYSA-N 0 0 376.275 4.427 40 0 GIABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(C)cc2C)cc1 ZINC000225041200 206034009 /nfs/dbraw/zinc/03/40/09/206034009.db2.gz NHIXCAQQIOJHTL-STZFKDTASA-N 0 0 390.439 4.315 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 ZINC000225052571 206034048 /nfs/dbraw/zinc/03/40/48/206034048.db2.gz XFTOHKNGULJWTG-SFTDATJTSA-N 0 0 394.559 4.486 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1 ZINC000225049324 206034170 /nfs/dbraw/zinc/03/41/70/206034170.db2.gz NQVHHSYLCLGEEL-PMACEKPBSA-N 0 0 396.531 4.014 40 0 GIABRN CC(=O)c1cccc(NC(=O)c2ccc(C)cc2I)c1 ZINC000225019252 206034480 /nfs/dbraw/zinc/03/44/80/206034480.db2.gz CCWIBYBDULGYKI-UHFFFAOYSA-N 0 0 379.197 4.055 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C ZINC000225043882 206034584 /nfs/dbraw/zinc/03/45/84/206034584.db2.gz YUCYSAIZCJQLJX-RTWAWAEBSA-N 0 0 394.559 4.486 40 0 GIABRN CCOC(=O)c1ccccc1N(CC)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225049032 206034694 /nfs/dbraw/zinc/03/46/94/206034694.db2.gz ISDUVLBHZPCVNW-UHFFFAOYSA-N 0 0 383.469 4.232 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 ZINC000225123451 206036984 /nfs/dbraw/zinc/03/69/84/206036984.db2.gz WZYKUJLBPZYYNR-VQTJNVASSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000225112316 206036998 /nfs/dbraw/zinc/03/69/98/206036998.db2.gz PPJYBDLNXLXXGA-QHCPKHFHSA-N 0 0 396.506 4.211 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C ZINC000225093334 206037294 /nfs/dbraw/zinc/03/72/94/206037294.db2.gz YHZFVZBBJHGLRU-UXHICEINSA-N 0 0 396.531 4.014 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C ZINC000225127485 206037838 /nfs/dbraw/zinc/03/78/38/206037838.db2.gz LMXFFCBABPQSFG-QHCPKHFHSA-N 0 0 394.559 4.488 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ccccc3)cc2)cc1F ZINC000225100214 206038096 /nfs/dbraw/zinc/03/80/96/206038096.db2.gz HEZZOGKOOFJBSH-UHFFFAOYSA-N 0 0 387.432 4.452 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 ZINC000225132775 206039577 /nfs/dbraw/zinc/03/95/77/206039577.db2.gz UEPDPEMYQJLUPN-JOCHJYFZSA-N 0 0 380.532 4.180 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1F ZINC000225132967 206039717 /nfs/dbraw/zinc/03/97/17/206039717.db2.gz UIPNXBGJVLTLLR-OAQYLSRUSA-N 0 0 384.495 4.010 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F ZINC000225194026 206040873 /nfs/dbraw/zinc/04/08/73/206040873.db2.gz CFPFQNXTQUGWDW-NRFANRHFSA-N 0 0 384.495 4.010 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225233013 206041200 /nfs/dbraw/zinc/04/12/00/206041200.db2.gz OPHWKEFMNDDXAC-OALUTQOASA-N 0 0 398.522 4.317 40 0 GIABRN O=C(NCCCc1ccccc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000225539427 206054374 /nfs/dbraw/zinc/05/43/74/206054374.db2.gz KDJPZMRHIUCQRA-FXBPSFAMSA-N 0 0 390.508 4.268 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225232941 206042713 /nfs/dbraw/zinc/04/27/13/206042713.db2.gz OPHWKEFMNDDXAC-RBUKOAKNSA-N 0 0 398.522 4.317 40 0 GIABRN COc1ccc(NC(=S)NCCSCc2cccc(C)c2)cc1OC ZINC000225336994 206043075 /nfs/dbraw/zinc/04/30/75/206043075.db2.gz JVDCFMNJPMGJOF-UHFFFAOYSA-N 0 0 376.547 4.232 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCC2(CC2)CO3)cc1 ZINC000225367819 206043992 /nfs/dbraw/zinc/04/39/92/206043992.db2.gz IQABXAMLPAWBFR-UHFFFAOYSA-N 0 0 395.455 4.447 40 0 GIABRN C[C@H](Sc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)OCc1cccn1-2 ZINC000225379483 206044317 /nfs/dbraw/zinc/04/43/17/206044317.db2.gz BNNOSLYAJFYANY-AWEZNQCLSA-N 0 0 378.453 4.267 40 0 GIABRN C[C@@H](Sc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)OCc1cccn1-2 ZINC000225379445 206044409 /nfs/dbraw/zinc/04/44/09/206044409.db2.gz BNNOSLYAJFYANY-CQSZACIVSA-N 0 0 378.453 4.267 40 0 GIABRN O=C1CCCN1c1ccc(NC(=S)NCCSC2CCCCC2)cc1 ZINC000225358575 206044601 /nfs/dbraw/zinc/04/46/01/206044601.db2.gz VPAWBVYLACHWOQ-UHFFFAOYSA-N 0 0 377.579 4.166 40 0 GIABRN CCOc1cccc(CNC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)c1 ZINC000225440731 206046909 /nfs/dbraw/zinc/04/69/09/206046909.db2.gz URBDEWXSVUMNPX-UHFFFAOYSA-N 0 0 383.517 4.007 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225452822 206049326 /nfs/dbraw/zinc/04/93/26/206049326.db2.gz AKGRQFXOPZQCBG-HSZRJFAPSA-N 0 0 394.559 4.222 40 0 GIABRN Cc1ccccc1CN(C(=O)CCSc1ccccc1)[C@H](C)C(=O)NC(C)C ZINC000225478252 206050841 /nfs/dbraw/zinc/05/08/41/206050841.db2.gz RBLBINVOTBJENY-LJQANCHMSA-N 0 0 398.572 4.419 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225488231 206051033 /nfs/dbraw/zinc/05/10/33/206051033.db2.gz BCLMTVWCZXEPRD-HXUWFJFHSA-N 0 0 380.532 4.178 40 0 GIABRN O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@H]2COC(=O)N2c2ccccc2C1 ZINC000225481743 206051832 /nfs/dbraw/zinc/05/18/32/206051832.db2.gz RKKJBOFOVXRLQR-INIZCTEOSA-N 0 0 390.361 4.077 40 0 biogenic,in-vitro GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 ZINC000225489119 206051864 /nfs/dbraw/zinc/05/18/64/206051864.db2.gz MHCGSBXQOMBZDE-UGKGYDQZSA-N 0 0 396.531 4.096 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1 ZINC000225492792 206051919 /nfs/dbraw/zinc/05/19/19/206051919.db2.gz YROUDXQTOGSBGY-UGKGYDQZSA-N 0 0 396.531 4.096 40 0 GIABRN CCn1c2ccc(NC(=O)COc3ccccc3C(C)(C)C)cc2sc1=O ZINC000225121380 206036806 /nfs/dbraw/zinc/03/68/06/206036806.db2.gz ALUWXKWTGXJNRJ-UHFFFAOYSA-N 0 0 384.501 4.398 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225117173 206036818 /nfs/dbraw/zinc/03/68/18/206036818.db2.gz LYWIDDFIDRIVJX-SFTDATJTSA-N 0 0 394.559 4.486 40 0 GIABRN Cc1cccc(C)c1NC(=O)Cn1ccc(=O)c2cc(Br)ccc21 ZINC000225727370 206070774 /nfs/dbraw/zinc/07/07/74/206070774.db2.gz NBLQHIOTVJGVLQ-UHFFFAOYSA-N 0 0 385.261 4.020 40 0 GIABRN CC[C@@H](NC(=S)Nc1ccc(C)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000225723382 206071572 /nfs/dbraw/zinc/07/15/72/206071572.db2.gz JNBGTECCQIUCTA-QGZVFWFLSA-N 0 0 396.965 4.490 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 ZINC000225556782 206056295 /nfs/dbraw/zinc/05/62/95/206056295.db2.gz OKQORIYTASJWBG-DENIHFKCSA-N 0 0 380.532 4.260 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)NCCCc2ccc(F)cc2)c1 ZINC000225547814 206056307 /nfs/dbraw/zinc/05/63/07/206056307.db2.gz FHOLZKPFOYOVMW-UHFFFAOYSA-N 0 0 380.872 4.185 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=S)NCCCc2cccc(OC)c2)c1 ZINC000225554224 206056685 /nfs/dbraw/zinc/05/66/85/206056685.db2.gz VNSCYLZVKTXOBZ-UHFFFAOYSA-N 0 0 386.517 4.100 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)c1 ZINC000225577946 206058139 /nfs/dbraw/zinc/05/81/39/206058139.db2.gz QKXGCJYUZFDCRL-KRWDZBQOSA-N 0 0 384.501 4.452 40 0 GIABRN CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1 ZINC000225738063 206072080 /nfs/dbraw/zinc/07/20/80/206072080.db2.gz RIWNUIJAQHDPSG-QFIPXVFZSA-N 0 0 390.524 4.002 40 0 GIABRN COc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c1 ZINC000225575108 206058704 /nfs/dbraw/zinc/05/87/04/206058704.db2.gz ICCRIPGMOPVPNG-UHFFFAOYSA-N 0 0 376.859 4.338 40 0 GIABRN COC(=O)c1ccc(C)c(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 ZINC000225576893 206059066 /nfs/dbraw/zinc/05/90/66/206059066.db2.gz VQBHVWUFIRZSLC-QGZVFWFLSA-N 0 0 384.501 4.370 40 0 GIABRN Cc1ccccc1CSCCCNC(=S)Nc1ccc2c(c1)OCCO2 ZINC000225600947 206060642 /nfs/dbraw/zinc/06/06/42/206060642.db2.gz KRXOLGHYBRYEAD-UHFFFAOYSA-N 0 0 388.558 4.376 40 0 GIABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(C)CC[C@@H]32)C1 ZINC000029339269 206061085 /nfs/dbraw/zinc/06/10/85/206061085.db2.gz AGKUVCXEPCJNMJ-PGFPPNSYSA-N 0 0 376.537 4.138 40 0 GIABRN CC[C@H](NC(=O)Cc1cccc(Br)c1)c1ccc(OC)c(OC)c1 ZINC000225622247 206062355 /nfs/dbraw/zinc/06/23/55/206062355.db2.gz IJOZRPHCDKFGTD-INIZCTEOSA-N 0 0 392.293 4.276 40 0 GIABRN COc1cc(CNC(=O)COc2cccc3c2CCCC3)ccc1OC(C)C ZINC000225652951 206064847 /nfs/dbraw/zinc/06/48/47/206064847.db2.gz BGRJXIUHMOMNMN-UHFFFAOYSA-N 0 0 383.488 4.056 40 0 GIABRN CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCSc1ccccc1 ZINC000225682891 206067182 /nfs/dbraw/zinc/06/71/82/206067182.db2.gz HXUWPDHXORYLAH-IBGZPJMESA-N 0 0 398.572 4.153 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 ZINC000225699807 206067900 /nfs/dbraw/zinc/06/79/00/206067900.db2.gz HMYZSKGNRDIYHK-OAQYLSRUSA-N 0 0 398.572 4.419 40 0 GIABRN COc1cccc(OC)c1C(=O)Nc1ccc(Cc2noc(C(C)C)n2)cc1 ZINC000226093410 206089520 /nfs/dbraw/zinc/08/95/20/206089520.db2.gz DLYNEXGTUYIDQK-UHFFFAOYSA-N 0 0 381.432 4.053 40 0 GIABRN Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3ccccc3Br)c2c1 ZINC000225754917 206072564 /nfs/dbraw/zinc/07/25/64/206072564.db2.gz JNBJEANOJMJGJX-UHFFFAOYSA-N 0 0 385.261 4.020 40 0 GIABRN COC(=O)c1cc(NC(=O)C2(c3ccccc3F)CCCCC2)ccc1OC ZINC000225760770 206074075 /nfs/dbraw/zinc/07/40/75/206074075.db2.gz PINPEQDXNXAIHW-UHFFFAOYSA-N 0 0 385.435 4.462 40 0 GIABRN COc1cccc(NC(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 ZINC000225764684 206074772 /nfs/dbraw/zinc/07/47/72/206074772.db2.gz KFWIYTFUDHFUHW-UHFFFAOYSA-N 0 0 380.448 4.364 40 0 GIABRN CCOC(=O)c1cc(NC(=O)C(C)(C)Br)ccc1O[C@@H](C)CC ZINC000225786488 206075154 /nfs/dbraw/zinc/07/51/54/206075154.db2.gz XITJGQXCYJJRFS-NSHDSACASA-N 0 0 386.286 4.153 40 0 GIABRN CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)c1ccc(Cl)cc1F ZINC000225778217 206075862 /nfs/dbraw/zinc/07/58/62/206075862.db2.gz VLXPXDSXAOXDPI-UHFFFAOYSA-N 0 0 380.206 4.455 40 0 GIABRN CN(Cc1ccccc1)C(=O)c1snnc1-c1ccc(Br)cc1 ZINC000225784955 206076047 /nfs/dbraw/zinc/07/60/47/206076047.db2.gz UGLVZQZDAOWOKZ-UHFFFAOYSA-N 0 0 388.290 4.240 40 0 GIABRN O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1cccc(C(F)(F)F)c1 ZINC000225799854 206076835 /nfs/dbraw/zinc/07/68/35/206076835.db2.gz YJTJMSFEUPEMID-UHFFFAOYSA-N 0 0 379.313 4.466 40 0 GIABRN COC(=O)c1cc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)ccc1OCC(C)C ZINC000225807636 206076904 /nfs/dbraw/zinc/07/69/04/206076904.db2.gz GXSMBPXWKGCPMQ-VFNWGFHPSA-N 0 0 377.481 4.042 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)ccc1OC(C)C ZINC000225808114 206077787 /nfs/dbraw/zinc/07/77/87/206077787.db2.gz KUKGOJVNFLEEFB-YCRPNKLZSA-N 0 0 377.481 4.184 40 0 GIABRN Fc1cccc(F)c1NC(=S)NCc1nc(-c2ccccc2Cl)no1 ZINC000225819296 206078842 /nfs/dbraw/zinc/07/88/42/206078842.db2.gz MCMUVKRUOSRVTF-UHFFFAOYSA-N 0 0 380.807 4.155 40 0 GIABRN Fc1ccc(C2(CNC(=S)Nc3ccc4c(c3)OCCO4)CCCC2)cc1 ZINC000225810453 206078988 /nfs/dbraw/zinc/07/89/88/206078988.db2.gz WJUQQHNSODIHIL-UHFFFAOYSA-N 0 0 386.492 4.395 40 0 GIABRN CCOC(=O)c1cc(NC(=O)C2(OC)CCC(C)CC2)ccc1OCC(C)C ZINC000225810786 206079079 /nfs/dbraw/zinc/07/90/79/206079079.db2.gz LXUHWYSDRDTZPK-UHFFFAOYSA-N 0 0 391.508 4.432 40 0 GIABRN CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)cc1C(=O)OC ZINC000225818689 206079223 /nfs/dbraw/zinc/07/92/23/206079223.db2.gz XYOILXBYBZKDJB-NRFANRHFSA-N 0 0 379.497 4.432 40 0 GIABRN Cc1ccccc1CSCCNC(=O)COc1cccc(C(F)(F)F)c1 ZINC000225810679 206079513 /nfs/dbraw/zinc/07/95/13/206079513.db2.gz SWTUNZFFLFJKRR-UHFFFAOYSA-N 0 0 383.435 4.442 40 0 GIABRN CCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OC)c2)CCC[C@@H](C)C1 ZINC000225831541 206080177 /nfs/dbraw/zinc/08/01/77/206080177.db2.gz GQNLEWOLLQWNRV-ZHRRBRCNSA-N 0 0 391.508 4.432 40 0 GIABRN CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 ZINC000225839018 206080549 /nfs/dbraw/zinc/08/05/49/206080549.db2.gz NMZJJNGYBOYRNL-NRFANRHFSA-N 0 0 379.497 4.432 40 0 GIABRN CCOCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c(C)n1 ZINC000225861710 206082058 /nfs/dbraw/zinc/08/20/58/206082058.db2.gz MVBWQPJSJXQCGE-UHFFFAOYSA-N 0 0 386.467 4.395 40 0 GIABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000225875648 206082844 /nfs/dbraw/zinc/08/28/44/206082844.db2.gz PCYHHULHSJKBNY-INIZCTEOSA-N 0 0 391.471 4.041 40 0 GIABRN C[C@@H]1Cc2cc(Br)ccc2N1C(=O)c1cnn(Cc2ccccc2)c1 ZINC000225888644 206083546 /nfs/dbraw/zinc/08/35/46/206083546.db2.gz AIANIWLDWSWMGS-CQSZACIVSA-N 0 0 396.288 4.285 40 0 GIABRN CCCO[C@@]1(C(=O)Nc2ccc(OCCOCC)nc2C)CCC[C@@H](C)C1 ZINC000225911272 206084015 /nfs/dbraw/zinc/08/40/15/206084015.db2.gz ZUMMCVKIZARTTB-IERDGZPVSA-N 0 0 378.513 4.119 40 0 GIABRN CC1(C(=O)Nc2ccc(OC(F)(F)F)cc2)COC(c2ccccc2F)OC1 ZINC000225920178 206084275 /nfs/dbraw/zinc/08/42/75/206084275.db2.gz ZXNBQEFLNBMYIS-UHFFFAOYSA-N 0 0 399.340 4.415 40 0 GIABRN COc1ccc(NC(=O)C2(Sc3ccccc3)CC2)cc1C(=O)N1CCCC1 ZINC000225960398 206085577 /nfs/dbraw/zinc/08/55/77/206085577.db2.gz OWXHTPTZWUFNPV-UHFFFAOYSA-N 0 0 396.512 4.195 40 0 GIABRN C[C@@H](NC(=S)Nc1nc(N2CCCC2)cc(C(F)(F)F)n1)c1ccccc1 ZINC000225963360 206085726 /nfs/dbraw/zinc/08/57/26/206085726.db2.gz UOHYPNHPBHOXPT-GFCCVEGCSA-N 0 0 395.454 4.143 40 0 GIABRN CC(C)COc1ccc(NC(=O)C2(C3(C(=O)N(C)C)CC3)CC2)c2ccccc12 ZINC000225925751 206086133 /nfs/dbraw/zinc/08/61/33/206086133.db2.gz QFOOAYNKTDTXTN-UHFFFAOYSA-N 0 0 394.515 4.462 40 0 GIABRN C[C@H](NC(=S)Nc1nc(Cl)cc(N2CCC[C@@H](C)C2)n1)c1ccccc1 ZINC000225963962 206086218 /nfs/dbraw/zinc/08/62/18/206086218.db2.gz OSTXFTOOCYRENS-KGLIPLIRSA-N 0 0 389.956 4.414 40 0 GIABRN C[C@H]1C[C@H](C)CN(c2cc(Cl)nc(NC(=S)NC3CCCCC3)n2)C1 ZINC000226009514 206086588 /nfs/dbraw/zinc/08/65/88/206086588.db2.gz RXNXYJIYXCWVHG-STQMWFEESA-N 0 0 381.977 4.231 40 0 GIABRN O=C(Nc1cccc(Br)c1)c1cc2cccc(Cl)c2oc1=O ZINC000226039485 206086675 /nfs/dbraw/zinc/08/66/75/206086675.db2.gz AQEPPMRBMAPZAA-UHFFFAOYSA-N 0 0 378.609 4.461 40 0 GIABRN Clc1ccc(Cl)c(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1 ZINC000027752713 206087297 /nfs/dbraw/zinc/08/72/97/206087297.db2.gz VOGWHVLYNATXCF-UHFFFAOYSA-N 0 0 379.295 4.122 40 0 GIABRN O=C(CSc1nc(-c2ccccc2)cc(C(F)F)n1)NCc1ccco1 ZINC000226073514 206088159 /nfs/dbraw/zinc/08/81/59/206088159.db2.gz KFNZWFPCJXOECV-UHFFFAOYSA-N 0 0 375.400 4.083 40 0 GIABRN COc1ccc(C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)cc1OC ZINC000226092477 206088700 /nfs/dbraw/zinc/08/87/00/206088700.db2.gz LYHQRZFWUCZKHC-UHFFFAOYSA-N 0 0 381.432 4.053 40 0 GIABRN CC(C)[C@@H]1C[C@@]2(CCCN2C(=O)c2ccc[nH]c2=O)CO[C@H]1c1cccc(F)c1 ZINC000257226914 206162123 /nfs/dbraw/zinc/16/21/23/206162123.db2.gz FMSPUNMPGWJDGJ-JTAQYXEDSA-N 0 0 398.478 4.335 40 0 GIABRN Cc1cnc(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)cn1 ZINC000257209626 206159134 /nfs/dbraw/zinc/15/91/34/206159134.db2.gz BRESKWZAGSZFLG-INIZCTEOSA-N 0 0 396.878 4.037 40 0 GIABRN CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4Br)OCC[C@@]31C2 ZINC000257218144 206160475 /nfs/dbraw/zinc/16/04/75/206160475.db2.gz DCAHQLFVFRZURX-LKOZNXPOSA-N 0 0 392.337 4.468 40 0 GIABRN CC(C)C[C@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1Oc1ccccc1 ZINC000257218541 206161184 /nfs/dbraw/zinc/16/11/84/206161184.db2.gz DDMTVFBNBSDKEF-LADGPHEKSA-N 0 0 381.516 4.076 40 0 GIABRN Cc1cnn(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)c1 ZINC000257214334 206161406 /nfs/dbraw/zinc/16/14/06/206161406.db2.gz CLPZXGVPSGQGFH-IBGZPJMESA-N 0 0 398.894 4.178 40 0 GIABRN Cc1cccnc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257214067 206161509 /nfs/dbraw/zinc/16/15/09/206161509.db2.gz CKJMHYWQVMHKNU-QGZVFWFLSA-N 0 0 379.435 4.128 40 0 GIABRN Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCCN2C(=O)c2ccc(C)nc2)n1 ZINC000257285823 206172779 /nfs/dbraw/zinc/17/27/79/206172779.db2.gz PJAKICIKWUXMQM-IBGZPJMESA-N 0 0 391.475 4.128 40 0 GIABRN Cc1noc(C)c1-c1cc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)nc(C)n1 ZINC000257289439 206172913 /nfs/dbraw/zinc/17/29/13/206172913.db2.gz PYPCVASEIPUFSK-IBGZPJMESA-N 0 0 380.423 4.173 40 0 GIABRN Cc1noc(C)c1-c1cncc(CC[C@H]2CCCN2C(=O)c2cccc(F)c2)n1 ZINC000257302565 206174331 /nfs/dbraw/zinc/17/43/31/206174331.db2.gz SDJUONMEJGDIIB-LJQANCHMSA-N 0 0 394.450 4.125 40 0 GIABRN COc1cccc(CC(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)c1 ZINC000257293101 206174392 /nfs/dbraw/zinc/17/43/92/206174392.db2.gz QOCOPMVWBFOZTN-OAQYLSRUSA-N 0 0 394.446 4.319 40 0 GIABRN COc1ccc(F)cc1-c1ccc(CC2(C(=O)NC3CC3)CCOCC2)cc1 ZINC000257298810 206174839 /nfs/dbraw/zinc/17/48/39/206174839.db2.gz RNJRGMPCDQVQIB-UHFFFAOYSA-N 0 0 383.463 4.119 40 0 GIABRN CC1(c2ncc(Cc3ccccc3F)o2)CCN(C(=O)c2cncs2)CC1 ZINC000257299775 206174921 /nfs/dbraw/zinc/17/49/21/206174921.db2.gz RRNZVDOEVLIXLX-UHFFFAOYSA-N 0 0 385.464 4.055 40 0 GIABRN COCCC(=O)N[C@@]1(C)C[C@H](c2cc(F)ccc2F)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257311427 206176115 /nfs/dbraw/zinc/17/61/15/206176115.db2.gz UJKNQCMJBZVGAY-KVQDAUAASA-N 0 0 381.463 4.142 40 0 GIABRN Cc1nc(Nc2cc(C)nc([C@H]3CCCN(Cc4ncc[nH]4)C3)c2)sc1C ZINC000257305393 206176264 /nfs/dbraw/zinc/17/62/64/206176264.db2.gz SPUXCKMOWUJMCQ-INIZCTEOSA-N 0 0 382.537 4.310 40 0 GIABRN O=C(c1cccc(=O)[nH]1)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257311358 206176745 /nfs/dbraw/zinc/17/67/45/206176745.db2.gz UJBGSOJVBUJBNB-SFHVURJKSA-N 0 0 397.862 4.387 40 0 GIABRN O=C(c1ccc2ccccc2n1)N1C[C@@H]2CC[C@H](Oc3ccccc3F)[C@@H]2C1 ZINC000257304226 206177241 /nfs/dbraw/zinc/17/72/41/206177241.db2.gz SKPSKYGWTPWHGZ-FVJLSDCUSA-N 0 0 376.431 4.304 40 0 GIABRN CC(C)c1cc(C(=O)N2C[C@@H]3CC[C@H](Oc4ccccc4Cl)[C@@H]3C2)n(C)n1 ZINC000257320854 206177779 /nfs/dbraw/zinc/17/77/79/206177779.db2.gz VYWJYAJRKDYXSB-KHYOSLBOSA-N 0 0 387.911 4.127 40 0 GIABRN Cc1noc(C)c1-c1cccc([C@@H]2CN(Cc3ccc4cc[nH]c4c3)CCO2)n1 ZINC000257233032 206162390 /nfs/dbraw/zinc/16/23/90/206162390.db2.gz GNLHFIPVOBASHE-QFIPXVFZSA-N 0 0 388.471 4.408 40 0 GIABRN O=C(c1cnccn1)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257233435 206162750 /nfs/dbraw/zinc/16/27/50/206162750.db2.gz GPGDLCNXLIFLKD-SFHVURJKSA-N 0 0 382.851 4.076 40 0 GIABRN Cc1noc(C)c1-c1cccc(C2CCN(C(=O)c3ccc(C)nc3)CC2)n1 ZINC000257241023 206163764 /nfs/dbraw/zinc/16/37/64/206163764.db2.gz HWIINMKYADGIKD-UHFFFAOYSA-N 0 0 376.460 4.077 40 0 GIABRN Cc1nc(C)c(CC(=O)N2CCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)s1 ZINC000257249456 206165835 /nfs/dbraw/zinc/16/58/35/206165835.db2.gz JILHQFNCZVYAFA-SFHVURJKSA-N 0 0 399.491 4.384 40 0 GIABRN Cc1ccnc([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)n1 ZINC000257252694 206166532 /nfs/dbraw/zinc/16/65/32/206166532.db2.gz JVTLAGZDUJLODK-INIZCTEOSA-N 0 0 377.444 4.123 40 0 GIABRN CC(C)(C)OC(=O)N1CCC[C@@H]2O[C@@H]3c4cccc(O)c4OC(C)(C)[C@H]3C[C@@H]21 ZINC000257262092 206168762 /nfs/dbraw/zinc/16/87/62/206168762.db2.gz LJZWTICHDDLKLO-UOVPBQLFSA-N 0 0 389.492 4.409 40 0 GIABRN Cc1ncsc1C(=O)N1CCCC[C@H]1c1nc(C)cc(-c2c(C)noc2C)n1 ZINC000257271972 206169450 /nfs/dbraw/zinc/16/94/50/206169450.db2.gz NANWCOGNUCMNDD-INIZCTEOSA-N 0 0 397.504 4.189 40 0 GIABRN Cc1noc(C)c1-c1cccc(C[C@H]2CCN(C(=O)/C=C/c3ccccc3)C2)n1 ZINC000257334625 206181712 /nfs/dbraw/zinc/18/17/12/206181712.db2.gz YGSBOEMCZCDHJF-YVNCXZRQSA-N 0 0 387.483 4.458 40 0 GIABRN CCC(=O)N[C@]1(C)C[C@H](c2cccc(OC)c2O)O[C@H](c2ccc(F)cc2)C1 ZINC000257339071 206181950 /nfs/dbraw/zinc/18/19/50/206181950.db2.gz ZABUDDAMJRTNNZ-JQVVWYNYSA-N 0 0 387.451 4.418 40 0 GIABRN C[C@]1(O)CCN(C(=O)c2ccccc2Cl)C[C@@H]1Oc1ccc(Cl)cc1 ZINC000257344704 206183617 /nfs/dbraw/zinc/18/36/17/206183617.db2.gz ZYJCQJITYXTHRH-HKUYNNGSSA-N 0 0 380.271 4.038 40 0 GIABRN Cc1c(Br)c(N)c(Br)cc1NC(=O)c1ccccc1 ZINC000020134716 206184535 /nfs/dbraw/zinc/18/45/35/206184535.db2.gz HPUUBNXWSPZYBB-UHFFFAOYSA-N 0 0 384.071 4.355 40 0 GIABRN COc1ccc(-c2cccc([C@H]3CN(Cc4cnc(C)s4)CCO3)n2)cc1 ZINC000257327650 206179535 /nfs/dbraw/zinc/17/95/35/206179535.db2.gz XCETVRQOORIDHC-OAQYLSRUSA-N 0 0 381.501 4.096 40 0 GIABRN C[C@@]1(Cc2ccc(Cl)cc2)Cc2cc(CC(=O)NC3CCOCC3)ccc2O1 ZINC000257331520 206179577 /nfs/dbraw/zinc/17/95/77/206179577.db2.gz XTFQOUHSWMHQKX-HSZRJFAPSA-N 0 0 399.918 4.114 40 0 GIABRN CC(C)n1ccc2c1CN(C(=O)C1CCC1)Cc1cn(Cc3ccccn3)nc1-2 ZINC000306144824 206206692 /nfs/dbraw/zinc/20/66/92/206206692.db2.gz ZPOKIEQXZGTXTR-UHFFFAOYSA-N 0 0 389.503 4.018 40 0 GIABRN c1csc(CN2CCO[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)c1 ZINC000306126517 206197525 /nfs/dbraw/zinc/19/75/25/206197525.db2.gz DYCNOFQIGPXIER-HXUWFJFHSA-N 0 0 376.485 4.031 40 0 GIABRN O=C1c2cccn2[C@H]2CN(Cc3cccc(Cl)c3)C[C@@H]2N1Cc1cccs1 ZINC000306130389 206198235 /nfs/dbraw/zinc/19/82/35/206198235.db2.gz JETNDUFLAOUMLD-PMACEKPBSA-N 0 0 397.931 4.285 40 0 GIABRN CC(C)[C@@H](C)NC(=O)c1nc(-c2ccn(Cc3cccnc3)c2)n2ccccc12 ZINC000306137069 206202477 /nfs/dbraw/zinc/20/24/77/206202477.db2.gz QKTBNGMIDFHBIP-QGZVFWFLSA-N 0 0 387.487 4.020 40 0 GIABRN O=C(c1ccco1)N1CCC[C@H](c2nc3ccc(-c4cccs4)cn3n2)C1 ZINC000306137154 206203803 /nfs/dbraw/zinc/20/38/03/206203803.db2.gz QMXJXHNVLQXPHC-HNNXBMFYSA-N 0 0 378.457 4.071 40 0 GIABRN C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N21 ZINC000002801607 206211751 /nfs/dbraw/zinc/21/17/51/206211751.db2.gz LOXDNFDQUOVHBE-DIFFPNOSSA-N 0 0 381.888 4.441 40 0 GIABRN CC[C@@H](C)[C@@H](C(=O)Nc1ccc(Cl)cc1C)N1C(=O)c2ccccc2C1=O ZINC000004341313 206214738 /nfs/dbraw/zinc/21/47/38/206214738.db2.gz DMEKVEVGSCDASQ-XIKOKIGWSA-N 0 0 384.863 4.298 40 0 GIABRN CCc1ccc(NC(=O)CCC(=O)OCc2ccc(Br)cc2)cc1 ZINC000006225288 206217089 /nfs/dbraw/zinc/21/70/89/206217089.db2.gz WQRPFIGDNXEJHY-UHFFFAOYSA-N 0 0 390.277 4.474 40 0 GIABRN CC(C)c1cc(C(=O)N2CCCCC[C@H]2c2cc(C(F)(F)F)nn2C)no1 ZINC000012119648 221153119 /nfs/dbraw/zinc/15/31/19/221153119.db2.gz VCCXSGVRDSLAIG-ZDUSSCGKSA-N 0 0 384.402 4.308 40 0 GIABRN Cc1cc(-c2cnc(C)nc2C2CCN(C(=O)Nc3ccccc3F)CC2)on1 ZINC000012118334 221153630 /nfs/dbraw/zinc/15/36/30/221153630.db2.gz YGPUZHSDJQPRJR-UHFFFAOYSA-N 0 0 395.438 4.299 40 0 GIABRN COc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccc(Cl)cc3)n2)cc1 ZINC000014058381 221297287 /nfs/dbraw/zinc/29/72/87/221297287.db2.gz RLBFUWWSTFJYND-ZDUSSCGKSA-N 0 0 385.851 4.209 40 0 GIABRN COCCN1C(=O)S/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O ZINC000409124873 533341301 /nfs/dbraw/zinc/34/13/01/533341301.db2.gz DEMBDMOVXHEWJR-LDADJPATSA-N 0 0 387.432 4.087 40 0 GIABRN COc1cccc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)c1OC ZINC000408801537 533387151 /nfs/dbraw/zinc/38/71/51/533387151.db2.gz UQHCXQCCSZPASD-UHFFFAOYSA-N 0 0 389.884 4.429 40 0 GIABRN COc1c(F)c(F)c(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c(F)c1F ZINC000408623995 533427178 /nfs/dbraw/zinc/42/71/78/533427178.db2.gz WFWGHYDRLAQTMU-UHFFFAOYSA-N 0 0 384.329 4.098 40 0 GIABRN COc1cccc(OC)c1C(=O)NCc1ccc(-c2nc3ccccc3o2)cc1 ZINC000408624083 533622240 /nfs/dbraw/zinc/62/22/40/533622240.db2.gz AYIXQWGIWVVZEY-UHFFFAOYSA-N 0 0 388.423 4.442 40 0 GIABRN CCC[C@@H](c1nnnn1C1CCCC1)N1CCN(c2cc(C)ccc2C)CC1 ZINC000057669569 132453942 /nfs/dbraw/zinc/45/39/42/132453942.db2.gz IBTLVBIOBGJORW-FQEVSTJZSA-N 0 0 382.556 4.068 40 0 GIABRN Cc1cc(O[C@@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1Cl ZINC000059317890 136155664 /nfs/dbraw/zinc/15/56/64/136155664.db2.gz GQMHGAQQBVLXJO-HNNXBMFYSA-N 0 0 393.314 4.418 40 0 GIABRN Cc1occc1-c1cc2nc(C)c(C)c(N3CC[C@@]4(O)CCCC[C@@H]4C3)n2n1 ZINC000072336856 136168420 /nfs/dbraw/zinc/16/84/20/136168420.db2.gz RCHIUCZXGJVPHX-VGSWGCGISA-N 0 0 380.492 4.046 40 0 GIABRN c1cc(CN2Cc3ccccc3C3(CCN(c4cnccn4)CC3)C2)cs1 ZINC000096242543 136185496 /nfs/dbraw/zinc/18/54/96/136185496.db2.gz BGMSIENKQPTYSD-UHFFFAOYSA-N 0 0 376.529 4.092 40 0 GIABRN O=C1C[C@@H](N2CCCc3ccccc32)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000101672334 136189685 /nfs/dbraw/zinc/18/96/85/136189685.db2.gz OUVALCSQBMTMTK-QGZVFWFLSA-N 0 0 375.255 4.078 40 0 GIABRN CC[C@H](Oc1ccccc1Cl)C(=O)NCCCN1CCCc2ccccc21 ZINC000219323247 136204090 /nfs/dbraw/zinc/20/40/90/136204090.db2.gz CKTRMJKTFXTYFF-FQEVSTJZSA-N 0 0 386.923 4.457 40 0 GIABRN Cc1cc(O[C@H](C)C(=O)NCCCN2CCCc3ccccc32)ccc1Cl ZINC000222858974 136205135 /nfs/dbraw/zinc/20/51/35/136205135.db2.gz WRHKXLHRBRRNSL-QGZVFWFLSA-N 0 0 386.923 4.375 40 0 GIABRN Cc1ccc(C(=O)NCCC2CCCCCC2)cc1N1CCCCS1(=O)=O ZINC000224398653 136206998 /nfs/dbraw/zinc/20/69/98/136206998.db2.gz FRRYREIWTXLQNX-UHFFFAOYSA-N 0 0 392.565 4.015 40 0 GIABRN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(I)cc2)c1 ZINC000010542770 533711922 /nfs/dbraw/zinc/71/19/22/533711922.db2.gz HTQXIMRULRIBPS-CYBMUJFWSA-N 0 0 379.241 4.399 40 0 GIABRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 ZINC000408560490 533785906 /nfs/dbraw/zinc/78/59/06/533785906.db2.gz CWICXAOTGNIWAO-UHFFFAOYSA-N 0 0 393.896 4.077 40 0 GIABRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 ZINC000408584677 533786231 /nfs/dbraw/zinc/78/62/31/533786231.db2.gz SWOPGTFILUBGPB-UHFFFAOYSA-N 0 0 395.912 4.227 40 0 GIABRN COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccccc2C)o1 ZINC000408636794 533830692 /nfs/dbraw/zinc/83/06/92/533830692.db2.gz CJCPPQZOOOBUJW-UHFFFAOYSA-N 0 0 389.864 4.438 40 0 GIABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000408563202 533895782 /nfs/dbraw/zinc/89/57/82/533895782.db2.gz AAURNLHNWSTRCQ-FMIVXFBMSA-N 0 0 397.471 4.440 40 0 GIABRN COc1cc(CNc2ccccc2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409116933 533916394 /nfs/dbraw/zinc/91/63/94/533916394.db2.gz VSTGLTYVKRLQCE-UHFFFAOYSA-N 0 0 383.469 4.383 40 0 GIABRN Cc1cc(NC(=O)C(=O)NC2CCC(C(C)(C)C)CC2)ccc1Br ZINC000408709218 533929205 /nfs/dbraw/zinc/92/92/05/533929205.db2.gz PYACATOFVGLMPQ-UHFFFAOYSA-N 0 0 395.341 4.417 40 0 GIABRN COc1ccc(N(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000408628266 533987380 /nfs/dbraw/zinc/98/73/80/533987380.db2.gz VRPIUXIYZWGMIG-UHFFFAOYSA-N 0 0 397.496 4.408 40 0 GIABRN COc1ccc(NC(=O)COc2ccc(CNc3ccccc3)cc2OC)cc1 ZINC000408557190 534083393 /nfs/dbraw/zinc/08/33/93/534083393.db2.gz NMUBSYABWQOHKD-UHFFFAOYSA-N 0 0 392.455 4.333 40 0 GIABRN Cc1cc2nc3s/c(=C\c4ccc(-c5ccc(F)cc5)o4)c(=O)n3c2cc1C ZINC000408976028 534134280 /nfs/dbraw/zinc/13/42/80/534134280.db2.gz OPQZGCHLCBPFES-JAIQZWGSSA-N 0 0 390.439 4.473 40 0 GIABRN COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(C)C3=O)o2)c1 ZINC000408811211 534155647 /nfs/dbraw/zinc/15/56/47/534155647.db2.gz KVGFVIGPRQKOPI-ZSOIEALJSA-N 0 0 377.805 4.053 40 0 GIABRN COC(=O)c1ccc2nc(NC(=O)COc3ccc(Cl)c(C)c3)sc2c1 ZINC000020412411 534251259 /nfs/dbraw/zinc/25/12/59/534251259.db2.gz HQJREZDFKVNWMZ-UHFFFAOYSA-N 0 0 390.848 4.062 40 0 GIABRN CCOc1ccc(CNC(=O)CSCc2ccc(Br)cc2)cc1 ZINC000013670709 520985558 /nfs/dbraw/zinc/98/55/58/520985558.db2.gz MUHIJTPVEFFJKV-UHFFFAOYSA-N 0 0 394.334 4.397 40 0 GIABRN Cc1cccc(-n2cccc2/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c1 ZINC000409392126 534568781 /nfs/dbraw/zinc/56/87/81/534568781.db2.gz LHEPLGQLVDEYDV-BKUYFWCQSA-N 0 0 385.492 4.173 40 0 GIABRN O=C(Oc1ccccc1/C=C1\N=C(c2ccccc2Cl)OC1=O)c1ccco1 ZINC000409188747 534569929 /nfs/dbraw/zinc/56/99/29/534569929.db2.gz GBGMYEFNVPDXNO-VBKFSLOCSA-N 0 0 393.782 4.497 40 0 GIABRN O=C(Sc1nnc(-c2ccc(Br)cc2)o1)c1ccccc1O ZINC000408691553 534570765 /nfs/dbraw/zinc/57/07/65/534570765.db2.gz DRTSBYLCOLROCB-UHFFFAOYSA-N 0 0 377.219 4.137 40 0 GIABRN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000408550248 534643000 /nfs/dbraw/zinc/64/30/00/534643000.db2.gz BWYPUXVIENIVNZ-CQSZACIVSA-N 0 0 394.924 4.077 40 0 GIABRN Cc1cccc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)c2)c1C ZINC000408666906 534745203 /nfs/dbraw/zinc/74/52/03/534745203.db2.gz AFTSZSZKAYBZAM-QFIXIFRTSA-N 0 0 388.467 4.257 40 0 GIABRN O=C1S[C@@H](Cc2ccccc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000409162523 534824656 /nfs/dbraw/zinc/82/46/56/534824656.db2.gz WJVSRIUMTMJSHX-HNNXBMFYSA-N 0 0 376.275 4.256 40 0 GIABRN CC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1ccc(F)cc1)N2 ZINC000409107407 526648394 /nfs/dbraw/zinc/64/83/94/526648394.db2.gz PLACRXLHCJYTPY-UVBSCNOISA-N 0 0 386.389 4.351 40 0 GIABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)O)[C@@]4(C)CC(=O)[C@@H]32)C1 ZINC000123201486 527117182 /nfs/dbraw/zinc/11/71/82/527117182.db2.gz KWOUHQLFAVONNL-OUKILVKHSA-N 0 0 376.537 4.137 40 0 GIABRN CC(=O)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000408671222 527322073 /nfs/dbraw/zinc/32/20/73/527322073.db2.gz TVCSTADDAJMPLH-CYBMUJFWSA-N 0 0 392.238 4.155 40 0 GIABRN CC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000408707308 527631804 /nfs/dbraw/zinc/63/18/04/527631804.db2.gz JBCWMSXRHKGSDA-FHERZECASA-N 0 0 376.928 4.414 40 0 GIABRN CC(C)CCNS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000008810293 527741914 /nfs/dbraw/zinc/74/19/14/527741914.db2.gz DPUVGJCOMASFMA-UHFFFAOYSA-N 0 0 398.887 4.056 40 0 GIABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000408561540 528046852 /nfs/dbraw/zinc/04/68/52/528046852.db2.gz JJNSFPJVEODFFF-UHFFFAOYSA-N 0 0 381.885 4.015 40 0 GIABRN CCC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000408603341 528067071 /nfs/dbraw/zinc/06/70/71/528067071.db2.gz GLQVENYAJURFNN-AWEZNQCLSA-N 0 0 394.924 4.368 40 0 GIABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCCCC2)cc1 ZINC000408675281 528351795 /nfs/dbraw/zinc/35/17/95/528351795.db2.gz HDMGFCSIUCYMMQ-UHFFFAOYSA-N 0 0 376.456 4.200 40 0 GIABRN CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000409093319 528358964 /nfs/dbraw/zinc/35/89/64/528358964.db2.gz ZZXIVWQJYCVNDE-UHFFFAOYSA-N 0 0 396.516 4.322 40 0 GIABRN CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1 ZINC000408628558 528395763 /nfs/dbraw/zinc/39/57/63/528395763.db2.gz UTPCJIXTJGIRSP-UHFFFAOYSA-N 0 0 383.517 4.202 40 0 GIABRN CCC(=O)Oc1ccccc1/C=C1\N=C(c2cc(Cl)ccc2OC)OC1=O ZINC000409192027 528447347 /nfs/dbraw/zinc/44/73/47/528447347.db2.gz SQIJNEHMGWUSQF-GDNBJRDFSA-N 0 0 385.803 4.009 40 0 GIABRN CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1NC(=O)CC ZINC000408697082 528588490 /nfs/dbraw/zinc/58/84/90/528588490.db2.gz HEQDLGPZMKUICO-UHFFFAOYSA-N 0 0 396.896 4.196 40 0 GIABRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1ccc(O)cc1)N2 ZINC000409350219 528594830 /nfs/dbraw/zinc/59/48/30/528594830.db2.gz RHJVAHTXHJXJQI-ZXYWRSMDSA-N 0 0 398.425 4.307 40 0 GIABRN CC(C)Cn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nnc1-c1ccccc1 ZINC000409118299 528695927 /nfs/dbraw/zinc/69/59/27/528695927.db2.gz PPRPOPUWNRHTHX-IAGOWNOFSA-N 0 0 386.565 4.483 40 0 GIABRN CCCc1sc(NC(=O)c2ccccn2)nc1-c1cc(OC)ccc1OC ZINC000408828475 528807858 /nfs/dbraw/zinc/80/78/58/528807858.db2.gz MJGOXVBYJYGKTP-UHFFFAOYSA-N 0 0 383.473 4.427 40 0 GIABRN CCCn1cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)c2ccccc21 ZINC000106753931 528828640 /nfs/dbraw/zinc/82/86/40/528828640.db2.gz LIDZWNUIPQXULA-YVLHZVERSA-N 0 0 386.473 4.039 40 0 GIABRN CCCCc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1CC ZINC000408560563 529054748 /nfs/dbraw/zinc/05/47/48/529054748.db2.gz DJKBMOFGZPVFBR-UHFFFAOYSA-N 0 0 386.443 4.390 40 0 GIABRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2c(Cl)cccc2Cl)C1=O ZINC000409209516 529183567 /nfs/dbraw/zinc/18/35/67/529183567.db2.gz CBZZVDBOAZPFLE-PBJWJZLWSA-N 0 0 388.272 4.371 40 0 GIABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCCN1CCCc2ccccc21 ZINC000223004758 535817726 /nfs/dbraw/zinc/81/77/26/535817726.db2.gz RUPFVEMNGZSJSL-HSZRJFAPSA-N 0 0 380.532 4.420 40 0 GIABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCCc2ccccc21 ZINC000219326609 536048575 /nfs/dbraw/zinc/04/85/75/536048575.db2.gz PEMSSIMAJNBCOK-NRFANRHFSA-N 0 0 386.923 4.457 40 0 GIABRN C[C@H](O)c1c(C(=O)N2CCc3ccccc3C2)onc1-c1ccc(Cl)cc1 ZINC000253400319 560040431 /nfs/dbraw/zinc/04/04/31/560040431.db2.gz LDKZZKWADLZROZ-ZDUSSCGKSA-N 0 0 382.847 4.247 40 0 biogenic,in-vitro GIABRN O=C(Nc1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3cccs3)c12 ZINC000005437645 560202021 /nfs/dbraw/zinc/20/20/21/560202021.db2.gz PXZPJWRQTHPEAL-JKSUJKDBSA-N 0 0 391.496 4.228 40 0 biogenic,in-vitro GIABRN Cc1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3cc4ccccc4o3)n2)c1 ZINC000015674408 560231115 /nfs/dbraw/zinc/23/11/15/560231115.db2.gz ZURIXQDWHYWDLL-MJGOQNOKSA-N 0 0 375.428 4.099 40 0 biogenic,in-vitro GIABRN COc1cc2c(cc1-c1cncn1C[C@@H](C)n1nc(C)c(C)c1C)OCCCO2 ZINC000019719952 570211051 /nfs/dbraw/zinc/21/10/51/570211051.db2.gz GKPACFNEPULZRR-CQSZACIVSA-N 0 0 396.491 4.103 40 0 GIABRN COc1cc2c(cc1-c1cncn1C[C@H](C)n1nc(C)c(C)c1C)OCCCO2 ZINC000019719953 570211059 /nfs/dbraw/zinc/21/10/59/570211059.db2.gz GKPACFNEPULZRR-AWEZNQCLSA-N 0 0 396.491 4.103 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000329016015 570212433 /nfs/dbraw/zinc/21/24/33/570212433.db2.gz NFECNZFFKZOTHQ-CYBMUJFWSA-N 0 0 387.409 4.355 40 0 GIABRN Clc1ccc(CNc2cc(-c3ccncc3)nc(NC3CCCC3)n2)cc1 ZINC000329016422 570212517 /nfs/dbraw/zinc/21/25/17/570212517.db2.gz NGDPXVHLWFEHPW-UHFFFAOYSA-N 0 0 379.895 4.002 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccccc2Cl)cc(-c2ccccc2)n1 ZINC000329039203 570214073 /nfs/dbraw/zinc/21/40/73/570214073.db2.gz RXKQEZWXBNOISS-LJQANCHMSA-N 0 0 382.895 4.391 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2ccccc2Br)cc(-c2cccnc2)n1 ZINC000329038667 570214171 /nfs/dbraw/zinc/21/41/71/570214171.db2.gz RUCNXULANJJVOB-ZDUSSCGKSA-N 0 0 398.308 4.099 40 0 GIABRN Cn1cc(-c2cnc(NCc3ccccc3)nc2)cc1C(=O)NCc1ccccc1 ZINC000096147609 570214160 /nfs/dbraw/zinc/21/41/60/570214160.db2.gz FMACGURBBFDLEK-UHFFFAOYSA-N 0 0 397.482 4.024 40 0 GIABRN COCCn1c(C(=O)NCc2cccnc2)cc2c1c1ccccc1n2C(C)C ZINC000096146351 570214237 /nfs/dbraw/zinc/21/42/37/570214237.db2.gz VHQANQVOABTHPR-UHFFFAOYSA-N 0 0 390.487 4.148 40 0 GIABRN CCNc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(C(F)(F)F)n1 ZINC000329043073 570214357 /nfs/dbraw/zinc/21/43/57/570214357.db2.gz SQQYOKUCMANBDL-UHFFFAOYSA-N 0 0 380.292 4.300 40 0 GIABRN Cn1cc(-c2cnc(-c3cccc(F)c3)nc2)cc1C(=O)Nc1cccc(O)c1 ZINC000096147670 570214529 /nfs/dbraw/zinc/21/45/29/570214529.db2.gz ZVZBOSBLGMBJHV-UHFFFAOYSA-N 0 0 388.402 4.246 40 0 GIABRN CC(C)Nc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)n1 ZINC000329045014 570214772 /nfs/dbraw/zinc/21/47/72/570214772.db2.gz TTXFFYHHKLJXOX-UHFFFAOYSA-N 0 0 397.320 4.182 40 0 GIABRN CC(C)Nc1nc(C(F)(F)F)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000329044288 570214790 /nfs/dbraw/zinc/21/47/90/570214790.db2.gz SWHAYJHZIVJICD-UHFFFAOYSA-N 0 0 380.201 4.483 40 0 GIABRN Cc1cccc(Cl)c1Nc1cc(-c2ccccn2)nc(N[C@H](CO)C(C)C)n1 ZINC000329056076 570215601 /nfs/dbraw/zinc/21/56/01/570215601.db2.gz VQRSFBONAASTJE-GOSISDBHSA-N 0 0 397.910 4.095 40 0 GIABRN O=C(NCc1ccccn1)c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12 ZINC000096154732 570216118 /nfs/dbraw/zinc/21/61/18/570216118.db2.gz WPHJYQWOBAHRRG-UHFFFAOYSA-N 0 0 385.471 4.243 40 0 GIABRN Cc1cc(Nc2cc(-c3cccnc3)nc(NC3CC3)n2)ccc1Br ZINC000329066073 570216148 /nfs/dbraw/zinc/21/61/48/570216148.db2.gz XWULXFHFIZJIAU-UHFFFAOYSA-N 0 0 396.292 4.349 40 0 GIABRN Cc1ccc(Nc2cc(-c3ccncc3)nc(N[C@@H](CO)C(C)C)n2)cc1Cl ZINC000329068339 570216448 /nfs/dbraw/zinc/21/64/48/570216448.db2.gz YPTZOJSKUXNOJF-IBGZPJMESA-N 0 0 397.910 4.095 40 0 GIABRN Cc1c(Nc2cc(-c3cccnc3)nc(NC3CC3)n2)cccc1C(F)(F)F ZINC000329071866 570216765 /nfs/dbraw/zinc/21/67/65/570216765.db2.gz ZTEGPTNXWANYSP-UHFFFAOYSA-N 0 0 385.393 4.028 40 0 GIABRN CCc1ccc(NC(=O)c2nnc3c(-c4ccc(F)cc4)cnn3c2C)cc1 ZINC000019817015 570221563 /nfs/dbraw/zinc/22/15/63/570221563.db2.gz QXUQBQLTHRFMTI-UHFFFAOYSA-N 0 0 375.407 4.054 40 0 GIABRN Cc1cccc(NC(=O)c2nnc3c(-c4ccc(Cl)cc4)cnn3c2C)c1 ZINC000019817084 570221654 /nfs/dbraw/zinc/22/16/54/570221654.db2.gz AZCJDEUZPQRLJD-UHFFFAOYSA-N 0 0 377.835 4.314 40 0 GIABRN CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)C3CCC3)CC2)c2ccccc21 ZINC000096242354 570222784 /nfs/dbraw/zinc/22/27/84/570222784.db2.gz QLOMNPJZLZANOX-IBGZPJMESA-N 0 0 382.548 4.093 40 0 GIABRN O=C(CSc1nnc(-c2cccnc2)n1C1CCCCC1)NC1CCCCC1 ZINC000000905202 570229115 /nfs/dbraw/zinc/22/91/15/570229115.db2.gz VRLKSKNVLGQGBB-UHFFFAOYSA-N 0 0 399.564 4.386 40 0 GIABRN CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@H+](Cc4ccc(C(=O)[O-])cc4)[C@H]3C[C@H]21 ZINC000585262343 570230081 /nfs/dbraw/zinc/23/00/81/570230081.db2.gz QEDKHBLWNYTBFC-KIZRIRGWSA-N 0 0 393.483 4.277 40 0 GIABRN CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3C)o2)c1 ZINC000019929248 570230410 /nfs/dbraw/zinc/23/04/10/570230410.db2.gz SYZHOBJQJQRPOD-UHFFFAOYSA-N 0 0 396.472 4.043 40 0 GIABRN COc1ccc(SCC(=O)Nc2ccccc2Br)cc1OC ZINC000020044991 570237445 /nfs/dbraw/zinc/23/74/45/570237445.db2.gz DUNKSPDHTNLBTE-UHFFFAOYSA-N 0 0 382.279 4.197 40 0 GIABRN COC1(COc2ccc(C)cc2C)CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000585270779 570239326 /nfs/dbraw/zinc/23/93/26/570239326.db2.gz QMOLHWJMAOFKSK-UHFFFAOYSA-N 0 0 396.531 4.322 40 0 GIABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000001095591 570241853 /nfs/dbraw/zinc/24/18/53/570241853.db2.gz AJJHBECTCSNYJH-FPYGCLRLSA-N 0 0 377.271 4.482 40 0 GIABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2Cl)c(Cl)c1 ZINC000020452551 570257816 /nfs/dbraw/zinc/25/78/16/570257816.db2.gz NHJCMQMREQZGIG-UHFFFAOYSA-N 0 0 393.679 4.271 40 0 GIABRN COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000020453781 570258202 /nfs/dbraw/zinc/25/82/02/570258202.db2.gz UXHNTZMRVVCYIM-LJQANCHMSA-N 0 0 379.547 4.483 40 0 GIABRN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(I)cc1C ZINC000020456480 570259206 /nfs/dbraw/zinc/25/92/06/570259206.db2.gz MGJQISPZZJUOBF-ZDUSSCGKSA-N 0 0 395.240 4.314 40 0 GIABRN CC(=O)NC1(c2ccccc2)CCN(c2cc(C)nc(-c3ccccc3)n2)CC1 ZINC000001350678 570260797 /nfs/dbraw/zinc/26/07/97/570260797.db2.gz WFJXDLYYEDRZLL-UHFFFAOYSA-N 0 0 386.499 4.084 40 0 GIABRN O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)NCc1ccc(F)cc1 ZINC000001329434 570260902 /nfs/dbraw/zinc/26/09/02/570260902.db2.gz KFDQMJZTCYUKIN-UHFFFAOYSA-N 0 0 392.459 4.173 40 0 GIABRN O=C(/C=C/c1cccnc1)N1CCC[C@H]1c1csc(Nc2ccccn2)n1 ZINC000585292266 570261473 /nfs/dbraw/zinc/26/14/73/570261473.db2.gz GLNDDZIOBJTROY-IJDCCNJMSA-N 0 0 377.473 4.054 40 0 GIABRN CC(C)C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccccc1 ZINC000020482051 570261738 /nfs/dbraw/zinc/26/17/38/570261738.db2.gz CXFUNOPRXRSFDQ-GOSISDBHSA-N 0 0 394.924 4.229 40 0 GIABRN CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1OC)c1ccc(OC)cc1 ZINC000020482155 570261779 /nfs/dbraw/zinc/26/17/79/570261779.db2.gz ACULMYQMAKOKGW-PMXLPMHFSA-N 0 0 385.460 4.002 40 0 GIABRN CCc1cccc(CC)c1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000020491877 570263101 /nfs/dbraw/zinc/26/31/01/570263101.db2.gz DIIJMRYCCNHENK-UHFFFAOYSA-N 0 0 380.897 4.089 40 0 GIABRN Cc1c2cc3oc(C(=O)N4CCCC4)c(C)c3cc2oc1C(=O)N1CCCC1 ZINC000001442608 570263441 /nfs/dbraw/zinc/26/34/41/570263441.db2.gz DCJGQOAASNICEU-UHFFFAOYSA-N 0 0 380.444 4.268 40 0 GIABRN COc1ccc(C(C)=O)c(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1 ZINC000001594195 570265572 /nfs/dbraw/zinc/26/55/72/570265572.db2.gz WJVLIHOOYQQCAE-UHFFFAOYSA-N 0 0 390.391 4.336 40 0 GIABRN Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Br)c2)cc1C ZINC000020611467 570272102 /nfs/dbraw/zinc/27/21/02/570272102.db2.gz QNRNSPDPWOPJRC-UHFFFAOYSA-N 0 0 389.293 4.155 40 0 GIABRN COc1ccc(-n2nc3ccc(NC(=O)c4cccs4)cc3n2)cc1Cl ZINC000020610802 570272106 /nfs/dbraw/zinc/27/21/06/570272106.db2.gz XHVBXPYZOLPMKH-UHFFFAOYSA-N 0 0 384.848 4.396 40 0 GIABRN CCCCN1c2nc3ccccc3n2[C@@H](c2cccs2)[C@@H](C(=O)OCC)C1=O ZINC000020638264 570273689 /nfs/dbraw/zinc/27/36/89/570273689.db2.gz PHISWMAAZANMPA-MSOLQXFVSA-N 0 0 397.500 4.013 40 0 GIABRN COc1ccc([C@@H]2CC(=O)c3cn4nc(-c5ccc(C)cc5)nc4nc3C2)cc1 ZINC000020671613 570274476 /nfs/dbraw/zinc/27/44/76/570274476.db2.gz KIQVXFOIBIRJIH-KRWDZBQOSA-N 0 0 384.439 4.021 40 0 GIABRN Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C3CCCC3)CC2)n1 ZINC000100738833 570275691 /nfs/dbraw/zinc/27/56/91/570275691.db2.gz WJLPDSHKYXPTKX-IZAXUBKRSA-N 0 0 378.520 4.427 40 0 GIABRN COc1ccc(-n2nc(Nc3cccc(OC)c3)c3c2C[C@H](C)CC3=O)cc1 ZINC000020796939 570280701 /nfs/dbraw/zinc/28/07/01/570280701.db2.gz AHCUUVVGMVLWHF-AWEZNQCLSA-N 0 0 377.444 4.398 40 0 GIABRN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1 ZINC000000738378 570294562 /nfs/dbraw/zinc/29/45/62/570294562.db2.gz ZKNUIUAULUPYOO-UHFFFAOYSA-N 0 0 399.494 4.210 40 0 GIABRN Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccccc3C)o2)c1 ZINC000216033558 570295003 /nfs/dbraw/zinc/29/50/03/570295003.db2.gz OUBLYIWVUWCRSW-UHFFFAOYSA-N 0 0 383.473 4.305 40 0 GIABRN COc1ccc([C@@H](C)NC(=O)COc2cc(C)c(Br)c(C)c2)cc1 ZINC000216281383 570298293 /nfs/dbraw/zinc/29/82/93/570298293.db2.gz VOTAJCGVLCSPAA-CQSZACIVSA-N 0 0 392.293 4.331 40 0 GIABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000216280514 570298330 /nfs/dbraw/zinc/29/83/30/570298330.db2.gz UIBHZXKRMCGOMQ-QGZVFWFLSA-N 0 0 377.488 4.254 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2C)c(Cl)c1 ZINC000216413857 570300826 /nfs/dbraw/zinc/30/08/26/570300826.db2.gz HRELGCQJHJBNSE-UHFFFAOYSA-N 0 0 375.852 4.459 40 0 GIABRN COC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000216460432 570302105 /nfs/dbraw/zinc/30/21/05/570302105.db2.gz OMSWWBHVLJBAOB-UHFFFAOYSA-N 0 0 386.451 4.288 40 0 GIABRN CC(C)Oc1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000042645924 570303048 /nfs/dbraw/zinc/30/30/48/570303048.db2.gz WBQAYXBRNQJMME-UHFFFAOYSA-N 0 0 381.259 4.036 40 0 GIABRN CC(C)Oc1ccccc1CNC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000042645907 570303173 /nfs/dbraw/zinc/30/31/73/570303173.db2.gz VIFSCUSLJONENC-UHFFFAOYSA-N 0 0 381.259 4.036 40 0 GIABRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OC)cc2OC)c1 ZINC000021595658 570306966 /nfs/dbraw/zinc/30/69/66/570306966.db2.gz VEQISUDXHPSHPM-UHFFFAOYSA-N 0 0 376.840 4.348 40 0 GIABRN COc1ccc(C(=O)NC(=S)Nc2cccc3ccc(C)nc32)cc1Cl ZINC000021595980 570307232 /nfs/dbraw/zinc/30/72/32/570307232.db2.gz DGRDLZXTVXMIOM-UHFFFAOYSA-N 0 0 385.876 4.332 40 0 GIABRN CCn1cc(C(=O)Nc2ccccc2Br)c(=O)c2cc(C)ccc21 ZINC000022234627 570308857 /nfs/dbraw/zinc/30/88/57/570308857.db2.gz DVXOSTXKDRZOKA-UHFFFAOYSA-N 0 0 385.261 4.345 40 0 GIABRN CCn1cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c(=O)c2cc(OC)ccc21 ZINC000022236042 570309262 /nfs/dbraw/zinc/30/92/62/570309262.db2.gz HYADJRFVFHHRFU-ZDUSSCGKSA-N 0 0 384.863 4.174 40 0 GIABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000022245416 570310169 /nfs/dbraw/zinc/31/01/69/570310169.db2.gz USCCBPFKPQAJST-UHFFFAOYSA-N 0 0 392.528 4.182 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2NC2CCC2)cc1 ZINC000072213936 570314218 /nfs/dbraw/zinc/31/42/18/570314218.db2.gz LCZDAYLCNVCVIW-HXUWFJFHSA-N 0 0 385.533 4.270 40 0 GIABRN CC(C)c1ccc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 ZINC000022379900 570314959 /nfs/dbraw/zinc/31/49/59/570314959.db2.gz LEPUHSJOCNOBMI-UHFFFAOYSA-N 0 0 388.533 4.338 40 0 GIABRN CC(C)c1ccccc1N(CC(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000022389693 570315664 /nfs/dbraw/zinc/31/56/64/570315664.db2.gz MNJOALCFBAWXOY-UHFFFAOYSA-N 0 0 398.887 4.007 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(SC(C)C)nc2)cc1 ZINC000072217491 570316214 /nfs/dbraw/zinc/31/62/14/570316214.db2.gz JGMSBSOPTDLYER-SFHVURJKSA-N 0 0 376.547 4.416 40 0 GIABRN Cc1nccn1-c1ccc(CNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 ZINC000022510362 570318531 /nfs/dbraw/zinc/31/85/31/570318531.db2.gz QXKGAKMTXYIGPN-QGZVFWFLSA-N 0 0 385.467 4.418 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000022511144 570319050 /nfs/dbraw/zinc/31/90/50/570319050.db2.gz LBOMMNDTXHPHGR-LEBWJFOGSA-N 0 0 392.543 4.318 40 0 GIABRN COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000022515057 570319293 /nfs/dbraw/zinc/31/92/93/570319293.db2.gz UPRYZFPALXAYOU-GOSISDBHSA-N 0 0 397.924 4.423 40 0 GIABRN CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc(OC)c2)cc1OCC ZINC000022521693 570319973 /nfs/dbraw/zinc/31/99/73/570319973.db2.gz GYEKZWWLUHVVJQ-HOTGVXAUSA-N 0 0 387.476 4.137 40 0 GIABRN O=C(NCc1ccco1)c1ccccc1NC(=O)c1ccc(Br)cc1 ZINC000022020662 570320284 /nfs/dbraw/zinc/32/02/84/570320284.db2.gz IWJFPQNFPGEATO-UHFFFAOYSA-N 0 0 399.244 4.224 40 0 GIABRN COc1ccc(CC(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000022529594 570320753 /nfs/dbraw/zinc/32/07/53/570320753.db2.gz NDBHPFUCMBUFAB-UHFFFAOYSA-N 0 0 379.431 4.272 40 0 GIABRN O=C(Nc1ccccc1C(=O)NCc1ccco1)c1cccc(Br)c1 ZINC000046641571 570325765 /nfs/dbraw/zinc/32/57/65/570325765.db2.gz YCVKODDSNXXGRE-UHFFFAOYSA-N 0 0 399.244 4.224 40 0 GIABRN CCOC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000113895708 570334579 /nfs/dbraw/zinc/33/45/79/570334579.db2.gz VFDATVSCBGWAMV-UHFFFAOYSA-N 0 0 395.908 4.222 40 0 GIABRN O=C(C(=O)N1CCCC1)c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 ZINC000408572663 570336255 /nfs/dbraw/zinc/33/62/55/570336255.db2.gz RQUMZJLHUNFRTR-UHFFFAOYSA-N 0 0 396.874 4.179 40 0 GIABRN CCc1ccc(N(CCCC(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000113961927 570336775 /nfs/dbraw/zinc/33/67/75/570336775.db2.gz FBRAYTOWAVYVQN-UHFFFAOYSA-N 0 0 388.533 4.051 40 0 GIABRN CN1CCN(C(=S)c2ccc(OCc3c(Cl)cccc3Cl)cc2)CC1 ZINC000408577891 570343661 /nfs/dbraw/zinc/34/36/61/570343661.db2.gz VLWVRSHPAVPLJL-UHFFFAOYSA-N 0 0 395.355 4.495 40 0 GIABRN CC[C@H](NC(=O)COc1ccc(Cl)c(C)c1)c1ccc(OC)c(OC)c1 ZINC000218941672 570344158 /nfs/dbraw/zinc/34/41/58/570344158.db2.gz JWUUMHABZXPREN-KRWDZBQOSA-N 0 0 377.868 4.312 40 0 GIABRN CC[C@@H](NC(=O)COc1ccc(Cl)c(C)c1)c1ccc(OC)c(OC)c1 ZINC000218941619 570344387 /nfs/dbraw/zinc/34/43/87/570344387.db2.gz JWUUMHABZXPREN-QGZVFWFLSA-N 0 0 377.868 4.312 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cc(C)ccc3C)n2)cc1 ZINC000219076944 570347665 /nfs/dbraw/zinc/34/76/65/570347665.db2.gz SBUNRVIADYSMMO-QGZVFWFLSA-N 0 0 379.460 4.088 40 0 GIABRN CCc1ccccc1O[C@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219295435 570351646 /nfs/dbraw/zinc/35/16/46/570351646.db2.gz RITPATXEJSDZSO-BEFAXECRSA-N 0 0 383.488 4.444 40 0 GIABRN Cc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3ccccc3C(C)C)n2)c1 ZINC000219300052 570352004 /nfs/dbraw/zinc/35/20/04/570352004.db2.gz JBSRHDCBIWSYQA-INIZCTEOSA-N 0 0 379.460 4.252 40 0 GIABRN Cc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3cc(C)cc(C)c3C)n2)c1 ZINC000219303804 570352711 /nfs/dbraw/zinc/35/27/11/570352711.db2.gz HUCDQEMBWARXMB-QGZVFWFLSA-N 0 0 379.460 4.054 40 0 GIABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)c1 ZINC000219304804 570353378 /nfs/dbraw/zinc/35/33/78/570353378.db2.gz MCDUNGQDDYTHJO-HNNXBMFYSA-N 0 0 385.489 4.149 40 0 GIABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000219326422 570355110 /nfs/dbraw/zinc/35/51/10/570355110.db2.gz JVCUIJJXVZUJET-AWEZNQCLSA-N 0 0 391.880 4.268 40 0 GIABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219328036 570355164 /nfs/dbraw/zinc/35/51/64/570355164.db2.gz MBNIIVCNQULZRR-RBUKOAKNSA-N 0 0 387.451 4.410 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000219373476 570357261 /nfs/dbraw/zinc/35/72/61/570357261.db2.gz JAVSTRNATAEVMP-OAHLLOKOSA-N 0 0 385.489 4.231 40 0 GIABRN CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O ZINC000006326909 570357937 /nfs/dbraw/zinc/35/79/37/570357937.db2.gz ULXBIKMKNUDLOQ-WLRTZDKTSA-N 0 0 388.272 4.229 40 0 GIABRN COC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1 ZINC000023391717 570360689 /nfs/dbraw/zinc/36/06/89/570360689.db2.gz GNJHQTDKTNZRGR-UHFFFAOYSA-N 0 0 393.443 4.218 40 0 GIABRN CC(C)C(=O)NC(=S)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000408617700 570364585 /nfs/dbraw/zinc/36/45/85/570364585.db2.gz BGBTYUHKFYKGIP-UHFFFAOYSA-N 0 0 384.324 4.042 40 0 GIABRN CC(C)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000408618171 570364956 /nfs/dbraw/zinc/36/49/56/570364956.db2.gz CLXRRYCLBHXTAO-UHFFFAOYSA-N 0 0 375.881 4.061 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccc(C)cc1C ZINC000219534843 570365946 /nfs/dbraw/zinc/36/59/46/570365946.db2.gz HHYNLUSCCVYFGQ-QFBILLFUSA-N 0 0 383.488 4.498 40 0 GIABRN COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccc(C)cc1C)CC(C)(C)O2 ZINC000219534485 570365948 /nfs/dbraw/zinc/36/59/48/570365948.db2.gz CJSYLOFEXNJXAA-LPHOPBHVSA-N 0 0 383.488 4.498 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1cc(C)cc(C)c1 ZINC000219550634 570366641 /nfs/dbraw/zinc/36/66/41/570366641.db2.gz CAELSZYEMUUJFG-JXFKEZNVSA-N 0 0 383.488 4.498 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 ZINC000219550545 570366814 /nfs/dbraw/zinc/36/68/14/570366814.db2.gz CAELSZYEMUUJFG-OXQOHEQNSA-N 0 0 383.488 4.498 40 0 GIABRN Cc1ccc(Cl)cc1N1CCN([C@@H](CC(C)C)c2nnnn2C(C)C)CC1 ZINC000057670211 570367761 /nfs/dbraw/zinc/36/77/61/570367761.db2.gz YAWXAANGTKDJAO-IBGZPJMESA-N 0 0 390.963 4.125 40 0 GIABRN C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000118932187 570368961 /nfs/dbraw/zinc/36/89/61/570368961.db2.gz OVUOVMIMOCJILI-CMGFHMHLSA-N 0 0 384.516 4.162 40 0 GIABRN CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(OC(C)C)c(OC)c1 ZINC000219572513 570369290 /nfs/dbraw/zinc/36/92/90/570369290.db2.gz OQPAXFMDHLHCEZ-QGZVFWFLSA-N 0 0 375.440 4.095 40 0 GIABRN CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000408619924 570370364 /nfs/dbraw/zinc/37/03/64/570370364.db2.gz OOMAENRBDACETL-UHFFFAOYSA-N 0 0 379.503 4.166 40 0 GIABRN CC[C@@H](NC(=O)c1ccccc1SC(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000219658424 570372049 /nfs/dbraw/zinc/37/20/49/570372049.db2.gz PZLXPWXAAAMEJD-GOSISDBHSA-N 0 0 391.558 4.472 40 0 GIABRN CC(=O)Nc1cccc(NC(=O)CSCc2ccc(Br)cc2)c1 ZINC000022667370 570372202 /nfs/dbraw/zinc/37/22/02/570372202.db2.gz IKVUSUQXBQHXFC-UHFFFAOYSA-N 0 0 393.306 4.279 40 0 GIABRN Cc1ccc(SCCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 ZINC000219674504 570372741 /nfs/dbraw/zinc/37/27/41/570372741.db2.gz MYDVNVOATZXKRB-CQSZACIVSA-N 0 0 394.334 4.433 40 0 GIABRN CC(C)Oc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000219736314 570374683 /nfs/dbraw/zinc/37/46/83/570374683.db2.gz QGAGFAFTZDMJAH-UHFFFAOYSA-N 0 0 389.455 4.051 40 0 GIABRN Cc1c(O)ccc2c(C)c(CCC(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)oc12 ZINC000012896134 570378052 /nfs/dbraw/zinc/37/80/52/570378052.db2.gz OKXZSMGKPOCNGM-FYSMJZIKSA-N 0 0 397.515 4.475 40 0 GIABRN CCN(CC)c1ccc(NC(=S)NC(=O)COc2ccccc2C)c(C)c1 ZINC000408626344 570378352 /nfs/dbraw/zinc/37/83/52/570378352.db2.gz GPUSNWFFGMKRAE-UHFFFAOYSA-N 0 0 385.533 4.042 40 0 GIABRN Cc1ccc(N([C@H](C)C(=O)Nc2c(C)cccc2C)S(C)(=O)=O)cc1Cl ZINC000220351640 570385523 /nfs/dbraw/zinc/38/55/23/570385523.db2.gz USPPRPCIDCSKLJ-OAHLLOKOSA-N 0 0 394.924 4.058 40 0 GIABRN Cc1ccc(N([C@@H](C)C(=O)Nc2c(C)cccc2C)S(C)(=O)=O)cc1Cl ZINC000220351572 570385594 /nfs/dbraw/zinc/38/55/94/570385594.db2.gz USPPRPCIDCSKLJ-HNNXBMFYSA-N 0 0 394.924 4.058 40 0 GIABRN CC[C@@H](C(=O)Nc1ccc(Cl)cc1C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220502530 570387379 /nfs/dbraw/zinc/38/73/79/570387379.db2.gz WIBGDUVDBFLFCU-SFHVURJKSA-N 0 0 394.924 4.140 40 0 GIABRN O=C(NCCc1cccc2[nH]ccc21)N1CC[C@]2(c3ccccc3)[C@H](C1)C2(F)F ZINC000685938946 570398136 /nfs/dbraw/zinc/39/81/36/570398136.db2.gz ZSNSVWOJEYAMTR-UNMCSNQZSA-N 0 0 395.453 4.329 40 0 GIABRN CCCCc1ccc(NC(=O)c2ccc(N(CC)S(=O)(=O)CC)cc2)cc1 ZINC000222397270 570409593 /nfs/dbraw/zinc/40/95/93/570409593.db2.gz FELLSQBTXIUBFO-UHFFFAOYSA-N 0 0 388.533 4.458 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000222490788 570412741 /nfs/dbraw/zinc/41/27/41/570412741.db2.gz OSYOYAWAHMQMGP-QHCPKHFHSA-N 0 0 394.559 4.486 40 0 GIABRN Cc1ccccc1N(CCCC(=O)Nc1cccc2ccccc21)S(C)(=O)=O ZINC000222549933 570414325 /nfs/dbraw/zinc/41/43/25/570414325.db2.gz HVCYRICHQUSQDI-UHFFFAOYSA-N 0 0 396.512 4.333 40 0 GIABRN CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1O ZINC000222577226 570415172 /nfs/dbraw/zinc/41/51/72/570415172.db2.gz URJXNLZKVXVIKL-GOPGUHFVSA-N 0 0 389.908 4.429 40 0 GIABRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O ZINC000007071206 570416133 /nfs/dbraw/zinc/41/61/33/570416133.db2.gz UBMQBIQYCYIMLT-SZJBZFAYSA-N 0 0 388.272 4.371 40 0 GIABRN Cc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)n1-c1cccnc1 ZINC000222601517 570416437 /nfs/dbraw/zinc/41/64/37/570416437.db2.gz HFRFIJNDMMCRIB-RYGJVYDSSA-N 0 0 375.501 4.165 40 0 GIABRN CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)O[C@@H](C)CC)C1=O ZINC000007071553 570417676 /nfs/dbraw/zinc/41/76/76/570417676.db2.gz OIHOKDXHPGJETQ-PBTRJEIRSA-N 0 0 391.489 4.242 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 ZINC000222655579 570418944 /nfs/dbraw/zinc/41/89/44/570418944.db2.gz YNGDSRUILWIUNC-OAQYLSRUSA-N 0 0 384.495 4.009 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)cc1C ZINC000222699092 570421335 /nfs/dbraw/zinc/42/13/35/570421335.db2.gz UZTSNEPITFEDOK-FQEVSTJZSA-N 0 0 394.559 4.486 40 0 GIABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000222711143 570421889 /nfs/dbraw/zinc/42/18/89/570421889.db2.gz XBCVXRYESYJIQR-SUMWQHHRSA-N 0 0 375.852 4.146 40 0 GIABRN Cc1ccccc1CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC(C)(C)C ZINC000222711678 570421930 /nfs/dbraw/zinc/42/19/30/570421930.db2.gz JLAXJTFAHSWMTK-IBGZPJMESA-N 0 0 380.532 4.178 40 0 GIABRN CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000222729917 570422791 /nfs/dbraw/zinc/42/27/91/570422791.db2.gz YJBCOJAVLRKLMT-ROUUACIJSA-N 0 0 386.883 4.267 40 0 GIABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1Cc1ccccc1 ZINC000222736560 570422879 /nfs/dbraw/zinc/42/28/79/570422879.db2.gz HYWCCZGDPOFQJR-LEWJYISDSA-N 0 0 376.529 4.151 40 0 GIABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000222825944 570427949 /nfs/dbraw/zinc/42/79/49/570427949.db2.gz RVTREKUTJGXSEM-CQSZACIVSA-N 0 0 393.314 4.437 40 0 GIABRN CCOc1ccc(CNC(=O)COc2ccc3ccccc3c2)cc1OCC ZINC000222833557 570428188 /nfs/dbraw/zinc/42/81/88/570428188.db2.gz KBJIBNJIAMKGSJ-UHFFFAOYSA-N 0 0 379.456 4.332 40 0 GIABRN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000025547561 570429134 /nfs/dbraw/zinc/42/91/34/570429134.db2.gz GRLKBPPYPIEWDD-YJOBIULKSA-N 0 0 384.516 4.431 40 0 GIABRN CC[C@@H](Oc1ccccc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000222869394 570429560 /nfs/dbraw/zinc/42/95/60/570429560.db2.gz RHXKSXILYPERJI-QGZVFWFLSA-N 0 0 385.851 4.206 40 0 GIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 ZINC000222886228 570430163 /nfs/dbraw/zinc/43/01/63/570430163.db2.gz REYTXUKZKUSYPZ-VQTJNVASSA-N 0 0 380.492 4.394 40 0 GIABRN CCc1ccc(O[C@H](CC)C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1 ZINC000222902942 570430656 /nfs/dbraw/zinc/43/06/56/570430656.db2.gz AHHHTSOBKDLKFZ-MRXNPFEDSA-N 0 0 385.489 4.177 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSc1ccccc1 ZINC000222948153 570432601 /nfs/dbraw/zinc/43/26/01/570432601.db2.gz KTLYIZZYENJJMN-GOSISDBHSA-N 0 0 384.545 4.112 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222948979 570432624 /nfs/dbraw/zinc/43/26/24/570432624.db2.gz PQNKTEAJRBSQDE-QFIPXVFZSA-N 0 0 394.559 4.470 40 0 GIABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 ZINC000222958558 570433145 /nfs/dbraw/zinc/43/31/45/570433145.db2.gz BIJZHWKTKRFMJG-WOJBJXKFSA-N 0 0 380.517 4.297 40 0 GIABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000222973528 570434390 /nfs/dbraw/zinc/43/43/90/570434390.db2.gz XLQJRJKYILAJPT-QGZVFWFLSA-N 0 0 399.878 4.481 40 0 GIABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000222984393 570435176 /nfs/dbraw/zinc/43/51/76/570435176.db2.gz KYVRXWIIBIPBFC-NRFANRHFSA-N 0 0 382.504 4.485 40 0 GIABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000223002631 570436729 /nfs/dbraw/zinc/43/67/29/570436729.db2.gz JBBREXZSARASCW-GOSISDBHSA-N 0 0 399.878 4.481 40 0 GIABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 ZINC000223075548 570441592 /nfs/dbraw/zinc/44/15/92/570441592.db2.gz VWXSGIOGDZDDDU-VQTJNVASSA-N 0 0 384.549 4.007 40 0 GIABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 ZINC000223069378 570441643 /nfs/dbraw/zinc/44/16/43/570441643.db2.gz PPXRONSWEHAZCE-SFTDATJTSA-N 0 0 393.512 4.351 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1 ZINC000223090747 570442553 /nfs/dbraw/zinc/44/25/53/570442553.db2.gz FWRGFHQXWHEYGU-ZWKOTPCHSA-N 0 0 384.495 4.090 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C ZINC000223093393 570442965 /nfs/dbraw/zinc/44/29/65/570442965.db2.gz KJFNQAUVKOOZIP-HXUWFJFHSA-N 0 0 396.531 4.016 40 0 GIABRN CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)NC)cc1 ZINC000223097839 570443223 /nfs/dbraw/zinc/44/32/23/570443223.db2.gz ANWYLFJNUXPQRK-JOCHJYFZSA-N 0 0 380.532 4.043 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCOc2ccccc2Cl)cc1C(C)C ZINC000223108778 570444057 /nfs/dbraw/zinc/44/40/57/570444057.db2.gz ZJMTYGZSMGAHNI-UHFFFAOYSA-N 0 0 397.924 4.138 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(C)cc1 ZINC000223128666 570445215 /nfs/dbraw/zinc/44/52/15/570445215.db2.gz UQAWZTKRXWYTQW-MSOLQXFVSA-N 0 0 384.495 4.009 40 0 GIABRN CCOc1ccc(CNC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1OCC ZINC000223140433 570446307 /nfs/dbraw/zinc/44/63/07/570446307.db2.gz BAJZFKNXDYVAES-KRWDZBQOSA-N 0 0 397.515 4.447 40 0 GIABRN Cc1ccc2c(cccc2NC(=O)c2ccccc2I)n1 ZINC000044442998 570448156 /nfs/dbraw/zinc/44/81/56/570448156.db2.gz NNKLYHXXROBTHG-UHFFFAOYSA-N 0 0 388.208 4.400 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 ZINC000223189519 570448568 /nfs/dbraw/zinc/44/85/68/570448568.db2.gz GPMWRCQAMQZKQE-ZDUSSCGKSA-N 0 0 387.863 4.411 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223195233 570449151 /nfs/dbraw/zinc/44/91/51/570449151.db2.gz DYPIGHJOBSSKGZ-FQEVSTJZSA-N 0 0 386.923 4.053 40 0 GIABRN COc1cc(C)c(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1C ZINC000223212940 570450350 /nfs/dbraw/zinc/45/03/50/570450350.db2.gz JJXRBDVQWDSJTK-KRWDZBQOSA-N 0 0 389.517 4.201 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 ZINC000223240908 570452203 /nfs/dbraw/zinc/45/22/03/570452203.db2.gz BOHFIRMDZQOVBA-GOSISDBHSA-N 0 0 393.314 4.089 40 0 GIABRN CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1C ZINC000223247781 570452754 /nfs/dbraw/zinc/45/27/54/570452754.db2.gz XLXMNXZYXZHIDI-UHFFFAOYSA-N 0 0 378.428 4.169 40 0 GIABRN COc1ccccc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2[C@H]1c1ccccc1OC ZINC000004063557 570453881 /nfs/dbraw/zinc/45/38/81/570453881.db2.gz NBHZLWPZRRNUGQ-KWOQKUFVSA-N 0 0 395.499 4.212 40 0 GIABRN Cc1cc2nc(N)sc2c(C)c1NC(=O)COc1ccc(Cl)cc1C ZINC000045890281 570458985 /nfs/dbraw/zinc/45/89/85/570458985.db2.gz JFUJYKIJLBIDFL-UHFFFAOYSA-N 0 0 375.881 4.475 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000223342506 570459992 /nfs/dbraw/zinc/45/99/92/570459992.db2.gz NLICXUHNQHONLA-QHCPKHFHSA-N 0 0 389.499 4.225 40 0 GIABRN CCCOc1ccccc1CCCNC(=O)COc1cccc2c1CCCC2 ZINC000223355704 570461323 /nfs/dbraw/zinc/46/13/23/570461323.db2.gz YYSFMUAIEWOFAN-UHFFFAOYSA-N 0 0 381.516 4.482 40 0 GIABRN CCc1ccc(OCC(=O)NCCSC2CCCC2)c(Br)c1 ZINC000223360567 570461783 /nfs/dbraw/zinc/46/17/83/570461783.db2.gz HWTLHDXYUUYFLV-UHFFFAOYSA-N 0 0 386.355 4.182 40 0 GIABRN COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1Cl ZINC000008161476 570467129 /nfs/dbraw/zinc/46/71/29/570467129.db2.gz OFOKCMHILITXFB-RQZCQDPDSA-N 0 0 384.844 4.457 40 0 GIABRN CCCCOc1ccc(C(=O)N2CCN(c3c(N)cccc3Cl)CC2)cc1 ZINC000057331961 570467314 /nfs/dbraw/zinc/46/73/14/570467314.db2.gz HANBHJIFESZUTN-UHFFFAOYSA-N 0 0 387.911 4.064 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSc1ccccc1 ZINC000223515614 570469217 /nfs/dbraw/zinc/46/92/17/570469217.db2.gz YPTLWVSSGLPNKF-LJQANCHMSA-N 0 0 398.572 4.155 40 0 GIABRN CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1 ZINC000223530950 570469661 /nfs/dbraw/zinc/46/96/61/570469661.db2.gz ORJKKMVFMLMTJC-UXHICEINSA-N 0 0 391.544 4.206 40 0 GIABRN O[C@@H](COc1cccc2ccccc21)CN1CCN(c2ccccc2Cl)CC1 ZINC000029589828 570476848 /nfs/dbraw/zinc/47/68/48/570476848.db2.gz DYMSKKWHGDKENB-LJQANCHMSA-N 0 0 396.918 4.055 40 0 GIABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)c1 ZINC000000779220 570479498 /nfs/dbraw/zinc/47/94/98/570479498.db2.gz CVWRRBXZQWGING-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN CC(C)(C)c1ccccc1OCCNS(=O)(=O)Cc1cccc(Cl)c1 ZINC000223701083 570479735 /nfs/dbraw/zinc/47/97/35/570479735.db2.gz SLWCWBAYXHXUQP-UHFFFAOYSA-N 0 0 381.925 4.136 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 ZINC000223700638 570479763 /nfs/dbraw/zinc/47/97/63/570479763.db2.gz SMFFAOZLQHXOKO-JOCHJYFZSA-N 0 0 398.522 4.400 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 ZINC000223713620 570480982 /nfs/dbraw/zinc/48/09/82/570480982.db2.gz BPGXGAYCAIEYEW-QGZVFWFLSA-N 0 0 386.923 4.053 40 0 GIABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223722413 570481365 /nfs/dbraw/zinc/48/13/65/570481365.db2.gz OMTAODLWHSTXOF-LJQANCHMSA-N 0 0 378.516 4.095 40 0 GIABRN CCCC(=O)Nc1ccc(NC(=O)c2cc(Br)ccc2OC)cc1 ZINC000000803438 570482638 /nfs/dbraw/zinc/48/26/38/570482638.db2.gz FGRBKYYTKDWWDR-UHFFFAOYSA-N 0 0 391.265 4.449 40 0 GIABRN COc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1F ZINC000139161082 570492880 /nfs/dbraw/zinc/49/28/80/570492880.db2.gz PNJAQXPHWAQWOK-UHFFFAOYSA-N 0 0 392.430 4.059 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccccc2CC)ccc1Cl ZINC000030757725 570495580 /nfs/dbraw/zinc/49/55/80/570495580.db2.gz ZLDFCOJWIVZXGF-CYBMUJFWSA-N 0 0 375.852 4.485 40 0 GIABRN CCCCOc1ccc(Nc2c(C(=O)[O-])c[nH+]c3cc4c(cc32)OCO4)cc1 ZINC000031771937 570506372 /nfs/dbraw/zinc/50/63/72/570506372.db2.gz FQWWUJYFLGQXCE-UHFFFAOYSA-N 0 0 380.400 4.006 40 0 GIABRN CC[C@@H]1[C@@H](N2CCCC2)Oc2cc3c(cc2[C@@H]1c1cccc(OC)c1O)OCO3 ZINC000031860822 570507275 /nfs/dbraw/zinc/50/72/75/570507275.db2.gz UWMPNVWZHCIJMI-BKAZIGDYSA-N 0 0 397.471 4.102 40 0 GIABRN CCOc1cc(NC(=O)C2CC2)c(OCC)cc1NC(=O)c1cccc(F)c1 ZINC000000881447 570508192 /nfs/dbraw/zinc/50/81/92/570508192.db2.gz SEOLCAKVGUUHNI-UHFFFAOYSA-N 0 0 386.423 4.224 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)cc1 ZINC000143418183 570511349 /nfs/dbraw/zinc/51/13/49/570511349.db2.gz LYXMZCZYGKSRMT-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN CC(C)Oc1ccc(CCCNC(=O)COc2ccc3c(c2)CCCC3)cc1 ZINC000224452843 570513598 /nfs/dbraw/zinc/51/35/98/570513598.db2.gz CTLPVAMPKUYIDZ-UHFFFAOYSA-N 0 0 381.516 4.480 40 0 GIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000224457118 570513836 /nfs/dbraw/zinc/51/38/36/570513836.db2.gz QXWSKVHLFWPATD-OAQYLSRUSA-N 0 0 398.522 4.480 40 0 GIABRN Cc1ccc2cc(C)c3nnc(SCC(=O)Nc4ccccc4F)n3c2c1 ZINC000000903075 570514979 /nfs/dbraw/zinc/51/49/79/570514979.db2.gz WBBRJENQKPLTLO-UHFFFAOYSA-N 0 0 380.448 4.369 40 0 GIABRN COC(=O)c1ccc(OC)c(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 ZINC000224687573 570524787 /nfs/dbraw/zinc/52/47/87/570524787.db2.gz JFQOOBXOCQBMAJ-OAHLLOKOSA-N 0 0 385.460 4.320 40 0 GIABRN CCOC(=O)c1cc(N(CC)S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000224697853 570525213 /nfs/dbraw/zinc/52/52/13/570525213.db2.gz JMBYZIAZSUYTTQ-UHFFFAOYSA-N 0 0 381.881 4.040 40 0 GIABRN CC(=O)O[C@H]1CC[C@H]2[C@@H]3[C@H](C)C4=C[C@@H](OC(C)=O)CC[C@](C)(O4)[C@H]3CC[C@@]12C ZINC000033769503 570528802 /nfs/dbraw/zinc/52/88/02/570528802.db2.gz WUKVLOYVYZNWAP-ODTHGOCZSA-N 0 0 390.520 4.395 40 0 GIABRN CC(C)(C)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000033694327 570528826 /nfs/dbraw/zinc/52/88/26/570528826.db2.gz GCXQIXIEBINTCY-UHFFFAOYSA-N 0 0 382.323 4.225 40 0 GIABRN Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(CNc2ccc(F)cc2)o1 ZINC000000917172 570533520 /nfs/dbraw/zinc/53/35/20/570533520.db2.gz ZCLGRMDCEKGNIE-ZDUSSCGKSA-N 0 0 386.452 4.249 40 0 GIABRN O=C1C[C@H](N2CCCc3ccccc32)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000001079308 570536978 /nfs/dbraw/zinc/53/69/78/570536978.db2.gz OUVALCSQBMTMTK-KRWDZBQOSA-N 0 0 375.255 4.078 40 0 GIABRN O=c1c2ccccc2nc(-c2ccncc2)n1-c1ccc(Br)cc1 ZINC000001081617 570537162 /nfs/dbraw/zinc/53/71/62/570537162.db2.gz BBKNTOCEBRHALK-UHFFFAOYSA-N 0 0 378.229 4.210 40 0 GIABRN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 ZINC000148604793 570540228 /nfs/dbraw/zinc/54/02/28/570540228.db2.gz DQHQCGCVOFALJP-KRWDZBQOSA-N 0 0 393.487 4.056 40 0 GIABRN Clc1ccc(Cl)c(-c2nc(Nc3ccc(N4CCOCC4)cc3)n[nH]2)c1 ZINC000008928345 570544653 /nfs/dbraw/zinc/54/46/53/570544653.db2.gz ZWQZWLDVYPGFPY-UHFFFAOYSA-N 0 0 390.274 4.359 40 0 GIABRN COc1ccccc1O[C@@H](C)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C ZINC000225166783 570552957 /nfs/dbraw/zinc/55/29/57/570552957.db2.gz XXSCXRKQTXRTGK-ZDUSSCGKSA-N 0 0 386.473 4.059 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)C(C)C)ccc2C)c(C)c1 ZINC000225201134 570555629 /nfs/dbraw/zinc/55/56/29/570555629.db2.gz AOTXOHASLYRZOF-QGZVFWFLSA-N 0 0 388.533 4.187 40 0 GIABRN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000036246212 570558416 /nfs/dbraw/zinc/55/84/16/570558416.db2.gz BAXHVNNUOULBRM-UHFFFAOYSA-N 0 0 383.469 4.099 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)NCCSCc2ccccc2)c1C ZINC000225290828 570562229 /nfs/dbraw/zinc/56/22/29/570562229.db2.gz CRAYBZBASCPHQB-UHFFFAOYSA-N 0 0 388.558 4.392 40 0 GIABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CCCCCCC2)cc1 ZINC000225302891 570563283 /nfs/dbraw/zinc/56/32/83/570563283.db2.gz ASLYAVRNMCDVPQ-PGMHBOJBSA-N 0 0 396.487 4.288 40 0 GIABRN COc1cc(NC(=O)c2cccc(C)c2)c(OC)cc1NC(=O)c1ccco1 ZINC000001223809 570565182 /nfs/dbraw/zinc/56/51/82/570565182.db2.gz ZKJNWHHDVWLNDS-UHFFFAOYSA-N 0 0 380.400 4.110 40 0 GIABRN CCOc1ccc([C@@H](OC(=O)c2ccco2)C(=O)NCc2ccc(C)cc2)cc1 ZINC000001328624 570567379 /nfs/dbraw/zinc/56/73/79/570567379.db2.gz KHJNJEBHRCPLRY-OAQYLSRUSA-N 0 0 393.439 4.201 40 0 GIABRN CC(C)(C)c1ccc(N(CC(=O)Nc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000010325389 570569015 /nfs/dbraw/zinc/56/90/15/570569015.db2.gz LYHGDXCDCLWSHT-UHFFFAOYSA-N 0 0 394.924 4.042 40 0 GIABRN COc1ccc(CNc2cc(C)nc3cc(-c4cccc(F)c4)nn32)cc1OC ZINC000001340767 570570476 /nfs/dbraw/zinc/57/04/76/570570476.db2.gz CCJASARAXBROBB-UHFFFAOYSA-N 0 0 392.434 4.473 40 0 GIABRN C[C@@H]1C[C@@H](C)CN(C(=O)C2(NC(=O)Nc3ccc(F)cc3F)CCCCC2)C1 ZINC000001344932 570571735 /nfs/dbraw/zinc/57/17/35/570571735.db2.gz BPXSPJWBFHJQIQ-HUUCEWRRSA-N 0 0 393.478 4.294 40 0 GIABRN COc1ccc(-n2nc3ccc(NC(=O)c4cccc5ncccc54)cc3n2)cc1 ZINC000001346237 570572188 /nfs/dbraw/zinc/57/21/88/570572188.db2.gz ZZYUUZNFTXALLN-UHFFFAOYSA-N 0 0 395.422 4.230 40 0 GIABRN CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)NC(C)(C)C ZINC000001355135 570574096 /nfs/dbraw/zinc/57/40/96/570574096.db2.gz SIWXLAANFRWFHZ-UHFFFAOYSA-N 0 0 399.466 4.051 40 0 GIABRN CCc1nc2sc(C)c(C)c2c(SCC(=O)NCCc2ccccc2)n1 ZINC000001372137 570575283 /nfs/dbraw/zinc/57/52/83/570575283.db2.gz IMOSLJUXWNEOLE-UHFFFAOYSA-N 0 0 385.558 4.322 40 0 GIABRN Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)c3ccco3)cc2c1 ZINC000001359262 570575286 /nfs/dbraw/zinc/57/52/86/570575286.db2.gz ZPQPQVNWEDVPGC-UHFFFAOYSA-N 0 0 386.451 4.315 40 0 GIABRN CCCn1c(S[C@H](C)C(=O)Nc2ccccc2C)nnc1-c1ccccn1 ZINC000001362680 570576833 /nfs/dbraw/zinc/57/68/33/570576833.db2.gz DBRFKYIIHXQEMN-OAHLLOKOSA-N 0 0 381.505 4.178 40 0 GIABRN CCCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccccn1 ZINC000001362665 570576864 /nfs/dbraw/zinc/57/68/64/570576864.db2.gz GEMYMUGDQBSCGA-UHFFFAOYSA-N 0 0 381.505 4.043 40 0 GIABRN COc1ccc(-c2noc([C@@H]3CCCN(C(=O)Nc4cccc(C)c4)C3)n2)cc1 ZINC000001362841 570577307 /nfs/dbraw/zinc/57/73/07/570577307.db2.gz XOIVCUCAFYLWGZ-QGZVFWFLSA-N 0 0 392.459 4.465 40 0 GIABRN COc1ccc(NC(=S)NCCCc2cccc(OC(C)C)c2)cc1OC ZINC000225564617 570588727 /nfs/dbraw/zinc/58/87/27/570588727.db2.gz IQXXORIOBVDJSE-UHFFFAOYSA-N 0 0 388.533 4.410 40 0 GIABRN COc1ccc(/C=C/c2nc3ccccc3n2CC(=O)N2CCCCC2)cc1 ZINC000040238506 570596586 /nfs/dbraw/zinc/59/65/86/570596586.db2.gz VQFFETJQXWPYIW-SDNWHVSQSA-N 0 0 375.472 4.228 40 0 GIABRN CCc1ccc(-n2cnc3[nH]c(N4CCC(C)CC4)nc(=O)c3c2=S)cc1 ZINC000040385714 570599025 /nfs/dbraw/zinc/59/90/25/570599025.db2.gz STVACCIODWOEFR-UHFFFAOYSA-N 0 0 381.505 4.049 40 0 GIABRN COc1ccc(NC(=O)CSc2cc(C)nc3ccc(OC)cc32)c(OC)c1 ZINC000004126905 570616236 /nfs/dbraw/zinc/61/62/36/570616236.db2.gz FISDNNSNHLPEPZ-UHFFFAOYSA-N 0 0 398.484 4.300 40 0 GIABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)CC)cc2c1 ZINC000004231118 570622171 /nfs/dbraw/zinc/62/21/71/570622171.db2.gz RYEXOLSQZYLLFA-UHFFFAOYSA-N 0 0 382.435 4.005 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)NC2(c3cccnc3)CCCC2)c(C)c1 ZINC000225864812 570628732 /nfs/dbraw/zinc/62/87/32/570628732.db2.gz LJIBPWURJKEVCU-UHFFFAOYSA-N 0 0 383.517 4.323 40 0 GIABRN CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccnc2ccccc21 ZINC000001644114 570628827 /nfs/dbraw/zinc/62/88/27/570628827.db2.gz IGDUMRAGICHLRP-UHFFFAOYSA-N 0 0 378.428 4.267 40 0 GIABRN CCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1)OCCO3 ZINC000004849579 570636176 /nfs/dbraw/zinc/63/61/76/570636176.db2.gz WAHAPEXAKFZHBL-UHFFFAOYSA-N 0 0 380.469 4.299 40 0 GIABRN CCc1ccccc1NC(=S)N1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC000004857551 570638914 /nfs/dbraw/zinc/63/89/14/570638914.db2.gz NEZUXUPHJMCBHI-UHFFFAOYSA-N 0 0 381.545 4.149 40 0 GIABRN Cc1occc1-c1nnc(SCC(=O)Nc2ccc(C)c(Cl)c2)n1C ZINC000004860818 570640498 /nfs/dbraw/zinc/64/04/98/570640498.db2.gz FSWYCPRIRZDSKE-UHFFFAOYSA-N 0 0 376.869 4.076 40 0 GIABRN O=C(NC1C[C@H]2CCC[C@@H](C1)N2C(=O)Nc1cccc(F)c1)c1ccc(F)cc1 ZINC000004888231 570643098 /nfs/dbraw/zinc/64/30/98/570643098.db2.gz UHTNPLQGVXFULK-IHWFROFDSA-N 0 0 399.441 4.312 40 0 GIABRN O=C(Nn1c(=O)c2ccccc2nc1C1CC1)c1ccc(-c2ccccc2)cc1 ZINC000004891376 570643968 /nfs/dbraw/zinc/64/39/68/570643968.db2.gz JTQVGHWTMUZTEH-UHFFFAOYSA-N 0 0 381.435 4.325 40 0 GIABRN CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)c1ccccc1 ZINC000059176483 570651192 /nfs/dbraw/zinc/65/11/92/570651192.db2.gz VIJYXJYTFBFSIP-UHFFFAOYSA-N 0 0 381.501 4.469 40 0 GIABRN COc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)o2)c1 ZINC000059200326 570651712 /nfs/dbraw/zinc/65/17/12/570651712.db2.gz QRBGYTYVCGVNJZ-UHFFFAOYSA-N 0 0 389.864 4.438 40 0 GIABRN COc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)OC(C)(C)C)C1=O ZINC000005007332 570653052 /nfs/dbraw/zinc/65/30/52/570653052.db2.gz HISCLJFXSLHZSW-BOPFTXTBSA-N 0 0 399.468 4.226 40 0 GIABRN O=C(Nc1cccc(F)c1)NC1(C(=O)NCc2cccs2)CCCCC1 ZINC000004981925 570655896 /nfs/dbraw/zinc/65/58/96/570655896.db2.gz JOEWEXOGSJCBIS-UHFFFAOYSA-N 0 0 375.469 4.028 40 0 GIABRN CC[C@@H](C)NC(=O)c1cnn2c1N[C@H](c1cccc(OC)c1)C[C@@H]2C(F)(F)F ZINC000005017806 570657598 /nfs/dbraw/zinc/65/75/98/570657598.db2.gz ZTKLSLAGFJQKJY-XFBWCDHKSA-N 0 0 396.413 4.080 40 0 GIABRN O=C1c2ccccc2C[C@H]1Sc1nnc(-c2ccco2)c(-c2ccco2)n1 ZINC000005059553 570658549 /nfs/dbraw/zinc/65/85/49/570658549.db2.gz JUORODSGSQREAY-MRXNPFEDSA-N 0 0 375.409 4.291 40 0 GIABRN Fc1ccc(C2=Nc3ccc(Br)cc3C(c3cccnc3)=NN2)cc1 ZINC000006445079 570670911 /nfs/dbraw/zinc/67/09/11/570670911.db2.gz ZPMXGKBTJJHSBN-UHFFFAOYSA-N 0 0 395.235 4.417 40 0 GIABRN O=C(Nc1cccc2c1CCCC2)C1CCN(C(=O)NCc2ccccc2)CC1 ZINC000006674191 570672743 /nfs/dbraw/zinc/67/27/43/570672743.db2.gz XRMLVHYNHIIESY-UHFFFAOYSA-N 0 0 391.515 4.126 40 0 GIABRN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)ccc21 ZINC000052781206 570673159 /nfs/dbraw/zinc/67/31/59/570673159.db2.gz BQQBKRPZCAWGMV-UHFFFAOYSA-N 0 0 399.299 4.093 40 0 GIABRN COc1ccccc1[C@@H]1S[C@@H](C)C(=O)Nc2c1c(C)nn2-c1ccc(F)cc1 ZINC000006679166 570673432 /nfs/dbraw/zinc/67/34/32/570673432.db2.gz QLTHGCMUXQYKPH-DJJJIMSYSA-N 0 0 397.475 4.492 40 0 GIABRN Cc1ccccc1[C@H]1c2c(O)n(-c3ccccc3C)c(O)c2ON1c1ccccc1 ZINC000013770202 570677651 /nfs/dbraw/zinc/67/76/51/570677651.db2.gz QOYHOFGUUCNIKW-VABKMULXSA-N 0 0 398.462 4.355 40 0 GIABRN CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)ccc1OC ZINC000408772989 570682395 /nfs/dbraw/zinc/68/23/95/570682395.db2.gz ODYYPTPEBLSYFE-CNSVBDKNSA-N 0 0 384.501 4.256 40 0 GIABRN CCNc1nc(NCc2cccc(Br)c2)cc(C(F)(F)F)n1 ZINC000318440157 570683636 /nfs/dbraw/zinc/68/36/36/570683636.db2.gz LHIGSZZKINDZNQ-UHFFFAOYSA-N 0 0 375.192 4.302 40 0 GIABRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCC)c3ccccc23)C1=O ZINC000409010353 570693128 /nfs/dbraw/zinc/69/31/28/570693128.db2.gz CIAWGARKICYJTM-HTMJNSLASA-N 0 0 399.468 4.226 40 0 GIABRN COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc(Cl)c1O ZINC000409008453 570694179 /nfs/dbraw/zinc/69/41/79/570694179.db2.gz YXQNMIJEZHGEMZ-WJDWOHSUSA-N 0 0 389.860 4.333 40 0 GIABRN CCOc1ccccc1/C=C1\SC(=O)N(CCOc2ccc(F)cc2)C1=O ZINC000409052066 570696231 /nfs/dbraw/zinc/69/62/31/570696231.db2.gz PWKKCLGXMMWTSM-AQTBWJFISA-N 0 0 387.432 4.340 40 0 GIABRN C[C@H](NC(=S)Nc1nc(Cl)cc(N2CCC[C@H](C)C2)n1)c1ccccc1 ZINC000260717633 570699718 /nfs/dbraw/zinc/69/97/18/570699718.db2.gz OSTXFTOOCYRENS-KBPBESRZSA-N 0 0 389.956 4.414 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(OC)c(O)cc3Cl)N21 ZINC000260766405 570704297 /nfs/dbraw/zinc/70/42/97/570704297.db2.gz JWGPBXLWGXVPOW-AFBMGJRZSA-N 0 0 389.908 4.429 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3Cc3ccccn3)N21 ZINC000260778218 570705224 /nfs/dbraw/zinc/70/52/24/570705224.db2.gz RJUSZUDLJUIPMG-UIFIKXQLSA-N 0 0 389.528 4.306 40 0 GIABRN CCOc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc1OC ZINC000260781614 570706066 /nfs/dbraw/zinc/70/60/66/570706066.db2.gz UBCUKUCNNCZUGC-CWFSZBLJSA-N 0 0 383.517 4.468 40 0 GIABRN CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2Br)CC1 ZINC000100809400 570711220 /nfs/dbraw/zinc/71/12/20/570711220.db2.gz MJVMWLICSMXTGU-GASCZTMLSA-N 0 0 383.330 4.375 40 0 GIABRN Cc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1C ZINC000003482246 570725560 /nfs/dbraw/zinc/72/55/60/570725560.db2.gz YGSQPQLHADALKO-UHFFFAOYSA-N 0 0 386.517 4.039 40 0 GIABRN COc1ccc(NC(=O)c2ccccc2I)cc1Cl ZINC000003472237 570725574 /nfs/dbraw/zinc/72/55/74/570725574.db2.gz MGHIYZWTUNRFMS-UHFFFAOYSA-N 0 0 387.604 4.206 40 0 GIABRN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)c1 ZINC000005448531 570732908 /nfs/dbraw/zinc/73/29/08/570732908.db2.gz FYHJGQKBFOWNFM-UHFFFAOYSA-N 0 0 386.908 4.483 40 0 GIABRN COc1ccc(-c2nc(SCC(=O)Nc3ccccc3C(C)C)n[nH]2)cc1 ZINC000006154667 570738204 /nfs/dbraw/zinc/73/82/04/570738204.db2.gz VTXLBBZTVWIJBP-UHFFFAOYSA-N 0 0 382.489 4.335 40 0 GIABRN CCCOc1c(Br)cc(C(=O)Nc2ccc(O)cc2)cc1OC ZINC000006398363 570744034 /nfs/dbraw/zinc/74/40/34/570744034.db2.gz RRAOORQJKQGSIT-UHFFFAOYSA-N 0 0 380.238 4.204 40 0 GIABRN CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 ZINC000006649520 570748600 /nfs/dbraw/zinc/74/86/00/570748600.db2.gz LJKQKERCVDYWGG-GFCCVEGCSA-N 0 0 393.270 4.384 40 0 GIABRN CCOC(=O)CN1C(=O)S/C(=C\c2c(OC(C)C)ccc3ccccc32)C1=O ZINC000006954645 570750957 /nfs/dbraw/zinc/75/09/57/570750957.db2.gz JGJJBCZNCUYNBP-WQRHYEAKSA-N 0 0 399.468 4.226 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3ccccc3)c2)cc1 ZINC000007360859 570758081 /nfs/dbraw/zinc/75/80/81/570758081.db2.gz MYYHNYJPDXVKRD-QGZVFWFLSA-N 0 0 394.496 4.287 40 0 GIABRN COc1ccc(C(=O)NC(=S)Nc2ccc3c4c(cccc42)CC3)c(OC)c1 ZINC000007388847 570758563 /nfs/dbraw/zinc/75/85/63/570758563.db2.gz IBQZTFALFWGBRZ-UHFFFAOYSA-N 0 0 392.480 4.082 40 0 GIABRN O=C(COC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccc(Cl)cc1 ZINC000007791363 570762402 /nfs/dbraw/zinc/76/24/02/570762402.db2.gz HGUXJBUSMIKBAT-UHFFFAOYSA-N 0 0 383.787 4.225 40 0 GIABRN Cc1ccccc1C(=O)OCC(=O)Nc1ccc(Br)cc1Cl ZINC000007939763 570763308 /nfs/dbraw/zinc/76/33/08/570763308.db2.gz ONKQCHLJWSAPJL-UHFFFAOYSA-N 0 0 382.641 4.206 40 0 GIABRN CCn1c(SCC(=O)N2CCCCCC2)nnc1-c1ccc(Cl)cc1 ZINC000008090031 570764994 /nfs/dbraw/zinc/76/49/94/570764994.db2.gz OHFJDKSLEOSVCG-UHFFFAOYSA-N 0 0 378.929 4.113 40 0 GIABRN COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)c(Cl)c1Cl ZINC000008115709 570766876 /nfs/dbraw/zinc/76/68/76/570766876.db2.gz MCMOIHRHQSZRQA-UHFFFAOYSA-N 0 0 380.680 4.134 40 0 GIABRN CCn1nnnc1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000008340103 570768101 /nfs/dbraw/zinc/76/81/01/570768101.db2.gz AITVDFFZIRGYCR-UHFFFAOYSA-N 0 0 378.263 4.191 40 0 GIABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1ccccc1C(F)(F)F ZINC000008496653 570769510 /nfs/dbraw/zinc/76/95/10/570769510.db2.gz WHLYBPXXZVZGMJ-UHFFFAOYSA-N 0 0 380.395 4.379 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)c(C)c1 ZINC000013669992 570770411 /nfs/dbraw/zinc/77/04/11/570770411.db2.gz KEDUAMMIFXUTKK-UHFFFAOYSA-N 0 0 382.243 4.496 40 0 GIABRN CCOc1ccc([C@H](C)NS(=O)(=O)Cc2cccc(Cl)c2)cc1OCC ZINC000013669745 570770466 /nfs/dbraw/zinc/77/04/66/570770466.db2.gz DMYULOJYMKAWPC-AWEZNQCLSA-N 0 0 397.924 4.318 40 0 GIABRN CCn1c(Cc2ccccc2)nnc1SCCCOc1ccc(C=O)cc1 ZINC000008731816 570772111 /nfs/dbraw/zinc/77/21/11/570772111.db2.gz SXMZUBWESMGKJX-UHFFFAOYSA-N 0 0 381.501 4.263 40 0 GIABRN CCC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 ZINC000008810454 570772591 /nfs/dbraw/zinc/77/25/91/570772591.db2.gz PHXVUJDNRJFVDL-LBPRGKRZSA-N 0 0 398.887 4.198 40 0 GIABRN COc1ccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000009063658 570773724 /nfs/dbraw/zinc/77/37/24/570773724.db2.gz CHHRIJRKMQNIBL-UHFFFAOYSA-N 0 0 376.859 4.338 40 0 GIABRN COc1ccc(CCNC(=O)c2ccccc2OCc2ccccc2)cc1OC ZINC000013687029 570774237 /nfs/dbraw/zinc/77/42/37/570774237.db2.gz VSXISSBARLFFAK-UHFFFAOYSA-N 0 0 391.467 4.255 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1 ZINC000009886166 570777078 /nfs/dbraw/zinc/77/70/78/570777078.db2.gz UBZKAYQKUDMOHM-CXUHLZMHSA-N 0 0 392.480 4.448 40 0 GIABRN CC[C@@H](C(=O)Nc1ccc(C)cc1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711940 570777782 /nfs/dbraw/zinc/77/77/82/570777782.db2.gz SNRLRKJPEUQBOT-SFHVURJKSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@@H](C(=O)Nc1c(C)cccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711950 570778043 /nfs/dbraw/zinc/77/80/43/570778043.db2.gz NMEGIODRSXYUCQ-KRWDZBQOSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@H](C(=O)Nc1ccc(C)c(C)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714132 570778279 /nfs/dbraw/zinc/77/82/79/570778279.db2.gz OFUIMRJKYSIYFA-GOSISDBHSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@H](C(=O)Nc1cc(C)ccc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714117 570778431 /nfs/dbraw/zinc/77/84/31/570778431.db2.gz JQIITRADHDTKRD-GOSISDBHSA-N 0 0 394.924 4.140 40 0 GIABRN O=C(CSCc1ccc(Br)cc1)NCCCc1ccccc1 ZINC000010110179 570781548 /nfs/dbraw/zinc/78/15/48/570781548.db2.gz BXYRREWOTSUPEE-UHFFFAOYSA-N 0 0 378.335 4.431 40 0 GIABRN Cc1ccc(SCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000009063472 570786890 /nfs/dbraw/zinc/78/68/90/570786890.db2.gz RDGWSOOZTYDMAE-UHFFFAOYSA-N 0 0 386.536 4.255 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)cc1 ZINC000010315002 570787816 /nfs/dbraw/zinc/78/78/16/570787816.db2.gz KUBHUZLTJUFEOQ-UHFFFAOYSA-N 0 0 386.517 4.167 40 0 GIABRN COc1ccc(OC)c(NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)c1 ZINC000170569324 570787841 /nfs/dbraw/zinc/78/78/41/570787841.db2.gz VUOHIVCMPNBGOM-UHFFFAOYSA-N 0 0 378.432 4.107 40 0 GIABRN O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(I)cc1 ZINC000010429499 570790098 /nfs/dbraw/zinc/79/00/98/570790098.db2.gz CXFAPSYGMPXCGM-UHFFFAOYSA-N 0 0 392.240 4.144 40 0 GIABRN O=C(NCCCc1ccccc1Cl)c1ccc(I)cc1 ZINC000010542292 570791559 /nfs/dbraw/zinc/79/15/59/570791559.db2.gz RGUTZCBCLWZCAQ-UHFFFAOYSA-N 0 0 399.659 4.307 40 0 GIABRN COC(=O)c1c(NC(=O)CSCc2ccccc2)sc2c1CCCC2 ZINC000010591405 570792453 /nfs/dbraw/zinc/79/24/53/570792453.db2.gz OJYQNLGGPJWIRD-UHFFFAOYSA-N 0 0 375.515 4.285 40 0 GIABRN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000013993763 570813318 /nfs/dbraw/zinc/81/33/18/570813318.db2.gz XIBQPSXGRWPDPR-KRWDZBQOSA-N 0 0 380.488 4.464 40 0 GIABRN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000014002900 570814068 /nfs/dbraw/zinc/81/40/68/570814068.db2.gz ZOXQXVIZXQUHTA-SFHVURJKSA-N 0 0 380.488 4.417 40 0 GIABRN O=C(Cc1ccsc1)N[C@H]1CCCc2c1cnn2Cc1ccccc1Cl ZINC000013992433 570868749 /nfs/dbraw/zinc/86/87/49/570868749.db2.gz OYNCMWAPPIFRFS-SFHVURJKSA-N 0 0 385.920 4.383 40 0 GIABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 ZINC000013992638 570868999 /nfs/dbraw/zinc/86/89/99/570868999.db2.gz CCRFDYMTJGOKCS-KRWDZBQOSA-N 0 0 380.488 4.464 40 0 GIABRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(OC)c1OC ZINC000015008480 570871244 /nfs/dbraw/zinc/87/12/44/570871244.db2.gz MNIWZHXVMWEFGB-WOJGMQOQSA-N 0 0 399.468 4.257 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)c(C)c1 ZINC000014037441 570876435 /nfs/dbraw/zinc/87/64/35/570876435.db2.gz ZGYQNURCRXDWCL-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000014122390 570877011 /nfs/dbraw/zinc/87/70/11/570877011.db2.gz KQYAJOHYKVGACM-UHFFFAOYSA-N 0 0 396.516 4.225 40 0 GIABRN CSc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)cc1 ZINC000014155909 570879714 /nfs/dbraw/zinc/87/97/14/570879714.db2.gz BMHXNXIMXYEHTH-UHFFFAOYSA-N 0 0 387.979 4.274 40 0 GIABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCC(C)C)ccc2C)c1 ZINC000014155182 570879723 /nfs/dbraw/zinc/87/97/23/570879723.db2.gz VPKDTZGGLYCLOE-UHFFFAOYSA-N 0 0 388.533 4.189 40 0 GIABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cc(C)cc(C)c1 ZINC000014291323 570881604 /nfs/dbraw/zinc/88/16/04/570881604.db2.gz MRALRYRPLGXWJP-UHFFFAOYSA-N 0 0 393.472 4.039 40 0 GIABRN CCCCc1nn2c(ncc(NC(=O)c3ccc(C(C)(C)C)cc3)c2=O)s1 ZINC000014291569 570882027 /nfs/dbraw/zinc/88/20/27/570882027.db2.gz XLFXKRBRQQSRGW-UHFFFAOYSA-N 0 0 384.505 4.043 40 0 GIABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000014397637 570883126 /nfs/dbraw/zinc/88/31/26/570883126.db2.gz XFVZDAQAGCLDNS-INIZCTEOSA-N 0 0 379.840 4.162 40 0 GIABRN COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 ZINC000014397240 570883285 /nfs/dbraw/zinc/88/32/85/570883285.db2.gz KYKNOSJQZRYIHA-AWEZNQCLSA-N 0 0 375.852 4.458 40 0 GIABRN Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000014398923 570884058 /nfs/dbraw/zinc/88/40/58/570884058.db2.gz UUDQFNYEGWWCDS-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccncc3)o2)CC1)c1cccc(F)c1F ZINC000257204585 570887683 /nfs/dbraw/zinc/88/76/83/570887683.db2.gz AVIAPGJJHKHEGY-HDJSIYSDSA-N 0 0 398.413 4.114 40 0 GIABRN CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)C(F)(F)F)c2)c1C ZINC000014405509 570891151 /nfs/dbraw/zinc/89/11/51/570891151.db2.gz DVPZFNRSXWFTDY-UHFFFAOYSA-N 0 0 382.386 4.053 40 0 GIABRN Cc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c1C ZINC000015353971 570892460 /nfs/dbraw/zinc/89/24/60/570892460.db2.gz WWBUYAZHKAYDRX-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)c1 ZINC000014831693 570899181 /nfs/dbraw/zinc/89/91/81/570899181.db2.gz HQCNZALVJRQIIN-UHFFFAOYSA-N 0 0 399.516 4.197 40 0 GIABRN CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1 ZINC000014831686 570899355 /nfs/dbraw/zinc/89/93/55/570899355.db2.gz NWXYSSSARSZZOL-UHFFFAOYSA-N 0 0 375.881 4.061 40 0 GIABRN O=C(Cc1ccccc1)NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1 ZINC000257325868 570908233 /nfs/dbraw/zinc/90/82/33/570908233.db2.gz WUTWVUDDPIPLIP-QAQDUYKDSA-N 0 0 381.501 4.431 40 0 GIABRN COc1ccc(NC(=O)c2c(N)n(C(=O)c3ccc(C)cc3)c3ccccc32)cc1 ZINC000016778047 570910198 /nfs/dbraw/zinc/91/01/98/570910198.db2.gz IGNGSUZIDFZSKK-UHFFFAOYSA-N 0 0 399.450 4.481 40 0 GIABRN CCc1nn(CC(=O)Nc2cc(Cl)ccc2Cl)c(=S)n1-n1cccc1 ZINC000016807015 570911137 /nfs/dbraw/zinc/91/11/37/570911137.db2.gz ZOGQLZDKJVLXSK-UHFFFAOYSA-N 0 0 396.303 4.035 40 0 GIABRN C[C@H](CCc1ccccc1)NC(=O)c1ccc(I)cc1 ZINC000017155750 570919346 /nfs/dbraw/zinc/91/93/46/570919346.db2.gz OEJDDDRBTBCMRH-CYBMUJFWSA-N 0 0 379.241 4.042 40 0 GIABRN Cc1ccc(C(=O)NC[C@H]2CCC[C@H](CNC(=O)c3ccc(C)cc3)C2)cc1 ZINC000016291999 570921028 /nfs/dbraw/zinc/92/10/28/570921028.db2.gz CVOMZMRLIXSBKE-PMACEKPBSA-N 0 0 378.516 4.270 40 0 GIABRN O=C(COc1cccc2ccccc21)NCC1(c2ccccc2)CCOCC1 ZINC000193203404 570935072 /nfs/dbraw/zinc/93/50/72/570935072.db2.gz RWARPOJRPMJYII-UHFFFAOYSA-N 0 0 375.468 4.083 40 0 GIABRN O=C1C[C@@]2(Cl)CN3c4ccccc4C(=O)C[C@]3(Cl)CN2c2ccccc21 ZINC000017063627 570937941 /nfs/dbraw/zinc/93/79/41/570937941.db2.gz ZINWVQKEVWANBS-BGYRXZFFSA-N 0 0 387.266 4.056 40 0 GIABRN O=C(Cc1ccccc1Cl)N1CCc2[nH]nc(-c3cccc(F)c3)c2CC1 ZINC000585110329 570939089 /nfs/dbraw/zinc/93/90/89/570939089.db2.gz GRIFRUBBPOEXGE-UHFFFAOYSA-N 0 0 383.854 4.039 40 0 GIABRN COc1ccc(CCNC(=O)CSCc2cccc(Br)c2)cc1 ZINC000020238299 570944923 /nfs/dbraw/zinc/94/49/23/570944923.db2.gz XBSHPSLARATMOC-UHFFFAOYSA-N 0 0 394.334 4.050 40 0 GIABRN O=S(=O)(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc(Br)c1 ZINC000034379500 570951094 /nfs/dbraw/zinc/95/10/94/570951094.db2.gz LQZMMKYOPZMDSZ-UHFFFAOYSA-N 0 0 398.175 4.408 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C(=O)c1ccccc1 ZINC000019017512 570954493 /nfs/dbraw/zinc/95/44/93/570954493.db2.gz MSXIKKZXFXNFOF-ZRBLBEILSA-N 0 0 394.490 4.225 40 0 GIABRN CC(=O)N1CCCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000019017268 570954532 /nfs/dbraw/zinc/95/45/32/570954532.db2.gz KOCKBHOZBOBDJE-HXUWFJFHSA-N 0 0 391.450 4.495 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)C1CCCCC1 ZINC000019017463 570954568 /nfs/dbraw/zinc/95/45/68/570954568.db2.gz OFKZOAOFZFGBPQ-ZRBLBEILSA-N 0 0 382.548 4.352 40 0 GIABRN C[C@H](C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)n1ccnc1 ZINC000019080730 570955637 /nfs/dbraw/zinc/95/56/37/570955637.db2.gz DQXBLXCPGQJBOA-LLVKDONJSA-N 0 0 380.395 4.149 40 0 GIABRN CC(C)(C)CC(=O)N1[C@@H]2CC[C@H]1c1c(nc(-c3ccncc3)nc1NC1CC1)C2 ZINC000019082524 570956234 /nfs/dbraw/zinc/95/62/34/570956234.db2.gz FXODZQSDTWINQF-AEFFLSMTSA-N 0 0 391.519 4.137 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)on1 ZINC000019122121 570957519 /nfs/dbraw/zinc/95/75/19/570957519.db2.gz CRUVCEZHHHIGGZ-MRXNPFEDSA-N 0 0 396.878 4.422 40 0 GIABRN Cc1cc2sc(NC(=O)CCc3nc(-c4ccncc4)no3)nc2cc1Cl ZINC000019125795 570957930 /nfs/dbraw/zinc/95/79/30/570957930.db2.gz BRSLCJWBWLQFPQ-UHFFFAOYSA-N 0 0 399.863 4.274 40 0 GIABRN Cc1ccc2[nH]c([C@@H]3CCCCN3C(=O)c3cc(C(C)(C)C)nn3C)nc2c1 ZINC000019221488 570963362 /nfs/dbraw/zinc/96/33/62/570963362.db2.gz CYIZABNXELQICD-KRWDZBQOSA-N 0 0 379.508 4.270 40 0 GIABRN COc1cc2c(cc1CN[C@@H](Cc1ccsc1)c1nc(C)cs1)OCO2 ZINC000019240219 570968732 /nfs/dbraw/zinc/96/87/32/570968732.db2.gz ZYUQDNTYKZTYFN-HNNXBMFYSA-N 0 0 388.514 4.324 40 0 GIABRN COc1ccc(-c2ccc(C(=O)Nc3ccc4nc(C)sc4c3)c(=O)[nH]2)cc1 ZINC000019286592 570970124 /nfs/dbraw/zinc/97/01/24/570970124.db2.gz VPLVTHIOGDPANN-UHFFFAOYSA-N 0 0 391.452 4.221 40 0 GIABRN Cn1c(C(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)cc2cc(F)ccc21 ZINC000019289732 570971490 /nfs/dbraw/zinc/97/14/90/570971490.db2.gz NFUCCFIKAAUJBV-UHFFFAOYSA-N 0 0 376.435 4.214 40 0 GIABRN O=C(Nc1nc(-c2ccccc2F)cs1)c1ccccc1Cn1ccnc1 ZINC000019349809 570978967 /nfs/dbraw/zinc/97/89/67/570978967.db2.gz HVFMKYPAPZHYGZ-UHFFFAOYSA-N 0 0 378.432 4.446 40 0 GIABRN CC(C)c1cc(C(F)(F)F)c2c(n1)onc2C1CCN(C(=O)C2CC2)CC1 ZINC000019452118 570985509 /nfs/dbraw/zinc/98/55/09/570985509.db2.gz GEIKMAGBCDAJPM-UHFFFAOYSA-N 0 0 381.398 4.481 40 0 GIABRN CC(C)c1nc(C2CCN(C(=O)c3cccnc3)CC2)ncc1-c1ccncc1 ZINC000019451550 570985642 /nfs/dbraw/zinc/98/56/42/570985642.db2.gz FQWXSPBPHBBHIX-UHFFFAOYSA-N 0 0 387.487 4.077 40 0 GIABRN CCc1cccc(C)c1NC(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000243212443 570986462 /nfs/dbraw/zinc/98/64/62/570986462.db2.gz KGFFBLJEIGBXNK-UHFFFAOYSA-N 0 0 380.488 4.057 40 0 GIABRN C[C@@H](CNC(=O)CCn1c(-c2ccncc2)cc2cccnc21)c1ccccc1 ZINC000019456449 570987219 /nfs/dbraw/zinc/98/72/19/570987219.db2.gz RVANGNUNNPHIKC-SFHVURJKSA-N 0 0 384.483 4.408 40 0 GIABRN C[C@@H](NC(=O)CCn1ccnc1-c1ccccc1)c1nc2ccccc2s1 ZINC000019459858 570988612 /nfs/dbraw/zinc/98/86/12/570988612.db2.gz RHVSNMIMCDHOTL-OAHLLOKOSA-N 0 0 376.485 4.427 40 0 GIABRN CC(=O)c1cccc(NC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000244160200 570988782 /nfs/dbraw/zinc/98/87/82/570988782.db2.gz UXLVSMZSEXRPNX-UHFFFAOYSA-N 0 0 384.863 4.034 40 0 GIABRN Cn1ccnc1-c1nc(NC[C@@]2(C)CCCO2)ncc1-c1cccc(Cl)c1 ZINC000019461260 570989087 /nfs/dbraw/zinc/98/90/87/570989087.db2.gz LSCMMWCUSWWXFG-HXUWFJFHSA-N 0 0 383.883 4.179 40 0 GIABRN CCC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2)(C(=O)NCC(C)C)C1 ZINC000019498464 570990895 /nfs/dbraw/zinc/99/08/95/570990895.db2.gz XEDWHBPHDYQGHW-VWLOTQADSA-N 0 0 392.543 4.297 40 0 GIABRN CCC(=O)N1CCC[C@](Cc2ccc(-c3ccccc3)cc2)(C(=O)N(C)C)C1 ZINC000019498590 570991103 /nfs/dbraw/zinc/99/11/03/570991103.db2.gz KRPXXWYDVVKCID-XMMPIXPASA-N 0 0 378.516 4.003 40 0 GIABRN CCC(=O)N1CCC[C@](Cc2ccccc2-c2ccccc2)(C(=O)NC(C)C)C1 ZINC000019498662 570991149 /nfs/dbraw/zinc/99/11/49/570991149.db2.gz TYTBFSVCYGXDQV-RUZDIDTESA-N 0 0 392.543 4.440 40 0 GIABRN Brc1ccc2c(NC3CCOCC3)nn([C@H]3CCCCO3)c2c1 ZINC000089197424 570991197 /nfs/dbraw/zinc/99/11/97/570991197.db2.gz NQOKZLXBBXZSKQ-MRXNPFEDSA-N 0 0 380.286 4.089 40 0 GIABRN CC[C@@H](C(=O)N[C@@H](c1ccccc1)c1ccccc1OC)n1nc(C)cc1C ZINC000019499472 570992070 /nfs/dbraw/zinc/99/20/70/570992070.db2.gz JBQIXLKOOSDESP-UNMCSNQZSA-N 0 0 377.488 4.365 40 0 GIABRN CCC(CC)C(=O)N1CC[C@](Cc2ccc(-c3cccs3)cc2)(C(N)=O)C1 ZINC000019500054 570992129 /nfs/dbraw/zinc/99/21/29/570992129.db2.gz TYLWZMAHNFVHPC-JOCHJYFZSA-N 0 0 384.545 4.098 40 0 GIABRN CCCC(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N3)CC1 ZINC000019501155 570992571 /nfs/dbraw/zinc/99/25/71/570992571.db2.gz BNWGPTYZZDGMKV-GOEBONIOSA-N 0 0 386.462 4.333 40 0 GIABRN CC[C@@H](C(=O)N1CCC[C@@H](c2ccnc(-c3ccncc3)n2)C1)c1ccccc1 ZINC000019500541 570992584 /nfs/dbraw/zinc/99/25/84/570992584.db2.gz LIVMGLMNEMNWOL-NHCUHLMSSA-N 0 0 386.499 4.438 40 0 GIABRN CC[C@@H](C(=O)N1CCC[C@H](c2noc(-c3ccccn3)n2)C1)c1ccccc1 ZINC000019500547 570992685 /nfs/dbraw/zinc/99/26/85/570992685.db2.gz KRRRJNGUOUMXQT-ZWKOTPCHSA-N 0 0 376.460 4.031 40 0 GIABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3Cc3cccnc3)cc2N1 ZINC000019520779 570993887 /nfs/dbraw/zinc/99/38/87/570993887.db2.gz DHZSRFAIVMAKOQ-HYVNUMGLSA-N 0 0 379.430 4.313 40 0 GIABRN CCc1onc(C)c1-c1nc(NCc2ccccc2F)ncc1-c1cnccn1 ZINC000019521177 570994399 /nfs/dbraw/zinc/99/43/99/570994399.db2.gz SNUZRUVAYRHORL-UHFFFAOYSA-N 0 0 390.422 4.211 40 0 GIABRN Cc1nn(C)cc1/C=C1/C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O ZINC000118916085 570994426 /nfs/dbraw/zinc/99/44/26/570994426.db2.gz AWVQXSVXAYIKEY-WTXKDBHASA-N 0 0 398.591 4.486 40 0 GIABRN CCOc1ccc(CCC(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccncc2)cc1 ZINC000019533112 570999778 /nfs/dbraw/zinc/99/97/78/570999778.db2.gz ZHOASEZILKBJDT-NRFANRHFSA-N 0 0 390.487 4.167 40 0 GIABRN COc1ccc(CCC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC000019554608 571002962 /nfs/dbraw/zinc/00/29/62/571002962.db2.gz VZMUTQKYSPRQQS-QFIPXVFZSA-N 0 0 389.499 4.066 40 0 GIABRN Cc1noc(-c2cnn(C)c2[C@H]2CCCCN2C(=O)Cc2cccc(F)c2)c1C ZINC000019558707 571004414 /nfs/dbraw/zinc/00/44/14/571004414.db2.gz FILMKBHRBGEXCK-LJQANCHMSA-N 0 0 396.466 4.127 40 0 GIABRN Cc1noc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)Cc2cccc(F)c2)c1C ZINC000019558169 571004435 /nfs/dbraw/zinc/00/44/35/571004435.db2.gz ZGUIPJOYDOVTOV-LJQANCHMSA-N 0 0 396.466 4.127 40 0 GIABRN Cc1sc2nc(C(C)C)n([C@@H]3CCCN(C(=O)C(C)(C)C)C3)c(=O)c2c1C ZINC000019561136 571005336 /nfs/dbraw/zinc/00/53/36/571005336.db2.gz MHWZKWVVKNKVHR-OAHLLOKOSA-N 0 0 389.565 4.408 40 0 GIABRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000019560991 571005338 /nfs/dbraw/zinc/00/53/38/571005338.db2.gz NDAONUIKXYUCIA-NSHDSACASA-N 0 0 397.431 4.229 40 0 GIABRN Cc1ncsc1C(=O)N1CCCC[C@H]1c1ccnc2cc(C(C)(C)C)nn21 ZINC000019562166 571005805 /nfs/dbraw/zinc/00/58/05/571005805.db2.gz IMIKLKNAOUSJKL-AWEZNQCLSA-N 0 0 383.521 4.159 40 0 GIABRN COc1ccc2[nH]c3c(c2c1)CCN(Cc1ccc(O)cc1)[C@H]3c1cccnc1 ZINC000019563278 571006382 /nfs/dbraw/zinc/00/63/82/571006382.db2.gz UKVDLTXTYNYWFR-DEOSSOPVSA-N 0 0 385.467 4.425 40 0 GIABRN Cc1ncsc1C(=O)N1CCC(c2cc(C(F)F)c3c(C)noc3n2)CC1 ZINC000019564842 571006908 /nfs/dbraw/zinc/00/69/08/571006908.db2.gz VNSLEFYPPXUELS-UHFFFAOYSA-N 0 0 392.431 4.254 40 0 GIABRN COc1ccc([C@H](C)NC(=O)c2cccc(Cn3nc(C)cc3C)c2)cc1F ZINC000019574510 571011132 /nfs/dbraw/zinc/01/11/32/571011132.db2.gz BWSYDTKDMATTFV-INIZCTEOSA-N 0 0 381.451 4.187 40 0 GIABRN Cc1csc([C@@H](Cc2ccsc2)NC(=O)CCCn2nc(C)cc2C)n1 ZINC000019574155 571011166 /nfs/dbraw/zinc/01/11/66/571011166.db2.gz MJTWKGHLFGYYLN-QGZVFWFLSA-N 0 0 388.562 4.207 40 0 GIABRN Cc1nn(C(C)C)c(C)c1CN1CCc2c(nc(C(C)C)nc2N2CCCC2)C1 ZINC000019577478 571011969 /nfs/dbraw/zinc/01/19/69/571011969.db2.gz JYOQNBMJTKWYRR-UHFFFAOYSA-N 0 0 396.583 4.153 40 0 GIABRN CN1CCN(C(=O)C2CCCC2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000019589598 571017515 /nfs/dbraw/zinc/01/75/15/571017515.db2.gz VQMODHUCRKEWPJ-QFIPXVFZSA-N 0 0 390.527 4.003 40 0 GIABRN Cc1cc(C)n(Cc2cccc(CNC(=O)c3ccc4c(c3)ncn4C3CC3)c2)n1 ZINC000019663100 571026489 /nfs/dbraw/zinc/02/64/89/571026489.db2.gz PXMQEDLLWFARNN-UHFFFAOYSA-N 0 0 399.498 4.163 40 0 GIABRN Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1ccc(Cc2ccc(C)cc2)cn1 ZINC000019688551 571028567 /nfs/dbraw/zinc/02/85/67/571028567.db2.gz UCZSQSXKFWHVQF-HSZRJFAPSA-N 0 0 389.499 4.492 40 0 GIABRN CCOc1ccccc1-c1ccccc1NC(=O)c1cnc2c(C)cccn2c1=O ZINC000019714696 571036525 /nfs/dbraw/zinc/03/65/25/571036525.db2.gz ZSTPAHULSUJXTR-UHFFFAOYSA-N 0 0 399.450 4.321 40 0 GIABRN O=C(Nc1cnn(Cc2ccccc2F)c1)c1cc(-n2cccn2)ccc1Cl ZINC000019715176 571036821 /nfs/dbraw/zinc/03/68/21/571036821.db2.gz YPFXWQLSCKHOAQ-UHFFFAOYSA-N 0 0 395.825 4.162 40 0 GIABRN CN(C)c1ncccc1CNc1ccc(CCc2nc3ccccc3n2C)cc1 ZINC000019715725 571037685 /nfs/dbraw/zinc/03/76/85/571037685.db2.gz YGOYWWVUQFNQEH-UHFFFAOYSA-N 0 0 385.515 4.432 40 0 GIABRN O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(-c2cccc(F)c2)no1 ZINC000019718155 571041173 /nfs/dbraw/zinc/04/11/73/571041173.db2.gz TZCCDEVTDLZEDL-UHFFFAOYSA-N 0 0 380.354 4.117 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2ccccc2OC(F)(F)F)cc(C(F)(F)F)n1 ZINC000328962405 571047122 /nfs/dbraw/zinc/04/71/22/571047122.db2.gz BHOYIOVIQWCQDV-VIFPVBQESA-N 0 0 394.319 4.192 40 0 GIABRN CCNc1nc(Nc2ccc(Br)cc2F)cc(-c2ccccc2)n1 ZINC000328962942 571047329 /nfs/dbraw/zinc/04/73/29/571047329.db2.gz BLBVUGUOJMWEMO-UHFFFAOYSA-N 0 0 387.256 4.064 40 0 GIABRN Fc1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCC3)n2)cc1Cl ZINC000328965248 571047725 /nfs/dbraw/zinc/04/77/25/571047725.db2.gz CBQWAEMHQZNZMV-UHFFFAOYSA-N 0 0 383.858 4.273 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(C2CC2)cc(N2Cc3ccccc3CC2(C)C)n1 ZINC000328967551 571048114 /nfs/dbraw/zinc/04/81/14/571048114.db2.gz CVDAAJXPJAGCRC-FQEVSTJZSA-N 0 0 380.536 4.124 40 0 GIABRN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000016401720 571049378 /nfs/dbraw/zinc/04/93/78/571049378.db2.gz APHRIKPQAZBISP-VZJWBNGJSA-N 0 0 379.843 4.231 40 0 GIABRN Cc1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccncc5)cn43)n2)cn1 ZINC000096038090 571096902 /nfs/dbraw/zinc/09/69/02/571096902.db2.gz BNKWLJVRCRMTOT-UHFFFAOYSA-N 0 0 394.438 4.143 40 0 GIABRN O=C(Cc1ccc(Cl)cc1)N1CCC2(CN(Cc3ccc(Cl)cc3)C2)C1 ZINC000096070754 571098483 /nfs/dbraw/zinc/09/84/83/571098483.db2.gz QFBKANPJVXUQHY-UHFFFAOYSA-N 0 0 389.326 4.270 40 0 GIABRN COc1cc(C(=O)O[C@H]2CC(C)=CC[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)ccc1O ZINC000004073725 817500624 /nfs/dbraw/zinc/50/06/24/817500624.db2.gz YEQVRBJRNFLOQJ-PABCKOPISA-N 0 0 388.504 4.470 40 0 GIABRN CCCCNC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1 ZINC000005356325 817576259 /nfs/dbraw/zinc/57/62/59/817576259.db2.gz CDWUTQJNLYDIER-UHFFFAOYSA-N 0 0 398.507 4.006 40 0 GIABRN O=C1C[C@@H](c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)n2ncnc2N1 ZINC000006225055 817669016 /nfs/dbraw/zinc/66/90/16/817669016.db2.gz WBUSVTMDUOJRET-INIZCTEOSA-N 0 0 389.242 4.096 40 0 GIABRN CCCN1C(=O)S/C(=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1=O ZINC000006323960 817676093 /nfs/dbraw/zinc/67/60/93/817676093.db2.gz WRBCRMFMDLFBSB-MHWRWJLKSA-N 0 0 388.401 4.310 40 0 GIABRN CC(C)COC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O ZINC000006326818 817676892 /nfs/dbraw/zinc/67/68/92/817676892.db2.gz TYDNILGMOIIZHO-YVLHZVERSA-N 0 0 385.441 4.182 40 0 GIABRN CC(C)Oc1ccc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 ZINC000006345688 817679714 /nfs/dbraw/zinc/67/97/14/817679714.db2.gz VVPXIDYAFFLHFW-UNOMPAQXSA-N 0 0 381.453 4.393 40 0 GIABRN COc1cc(C(=S)N2CCC(C)CC2)ccc1OCC(=O)Nc1ccccc1 ZINC000006348774 817680961 /nfs/dbraw/zinc/68/09/61/817680961.db2.gz UQNHFSRUBZNIPV-UHFFFAOYSA-N 0 0 398.528 4.120 40 0 GIABRN COc1ccc(/C=C(/C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1 ZINC000006441441 817692646 /nfs/dbraw/zinc/69/26/46/817692646.db2.gz RJKLEMGKPIIWTL-FYJGNVAPSA-N 0 0 387.435 4.281 40 0 GIABRN CCOc1cc(C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC ZINC000006439493 817692681 /nfs/dbraw/zinc/69/26/81/817692681.db2.gz KLESGTKIOLKJNU-UHFFFAOYSA-N 0 0 380.238 4.204 40 0 GIABRN CCCCNC(=O)CSc1nnc(Cc2ccccc2)n1-c1cccc(C)c1 ZINC000006629009 817712143 /nfs/dbraw/zinc/71/21/43/817712143.db2.gz XEIBBYCTNYFJMI-UHFFFAOYSA-N 0 0 394.544 4.175 40 0 GIABRN CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(O[C@@H](C)CC)cc2)C1=O ZINC000006650164 817715759 /nfs/dbraw/zinc/71/57/59/817715759.db2.gz LHZZBGIJMVMXCU-VMOJBDSFSA-N 0 0 391.489 4.244 40 0 GIABRN C#CCOc1c(CC=C)cc(/C=C2/SC(=O)N(CCC)C2=O)cc1OCC ZINC000006655587 817716306 /nfs/dbraw/zinc/71/63/06/817716306.db2.gz PYVRZPVJLQUPSK-NBVRZTHBSA-N 0 0 385.485 4.272 40 0 GIABRN CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1[C@H](C)Oc1ccccc1 ZINC000006711187 817716819 /nfs/dbraw/zinc/71/68/19/817716819.db2.gz HGCLPPCHUUUJRI-HNNXBMFYSA-N 0 0 397.500 4.422 40 0 GIABRN CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1OC ZINC000006948109 817728487 /nfs/dbraw/zinc/72/84/87/817728487.db2.gz HCULMERUIAPGCC-UHFFFAOYSA-N 0 0 396.516 4.018 40 0 GIABRN CCOc1cc(C(=S)N2CCCC2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000006960856 817729152 /nfs/dbraw/zinc/72/91/52/817729152.db2.gz YFVHQRXOBMARIP-UHFFFAOYSA-N 0 0 398.528 4.183 40 0 GIABRN Cc1cccc(CN2C(=O)N/C(=C/c3cccn3-c3ccccc3F)C2=O)c1 ZINC000006967286 817730824 /nfs/dbraw/zinc/73/08/24/817730824.db2.gz CHPHKIKXBBNCPA-CPNJWEJPSA-N 0 0 375.403 4.018 40 0 GIABRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O ZINC000006971814 817732092 /nfs/dbraw/zinc/73/20/92/817732092.db2.gz PMPZJPVNTAZOHM-DEDYPNTBSA-N 0 0 389.480 4.395 40 0 GIABRN O=C(Nc1ccccc1I)c1ccc(N2CCCC2)cc1 ZINC000007382884 817828388 /nfs/dbraw/zinc/82/83/88/817828388.db2.gz ZTPGOBRYHCQPLA-UHFFFAOYSA-N 0 0 392.240 4.144 40 0 GIABRN Cc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)c(C)c1 ZINC000007881441 817948875 /nfs/dbraw/zinc/94/88/75/817948875.db2.gz VCKRAEVJKYLWEP-NVXWUHKLSA-N 0 0 399.874 4.124 40 0 GIABRN Cc1cc(C)cc(OC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 ZINC000007928828 817962261 /nfs/dbraw/zinc/96/22/61/817962261.db2.gz CXRXUZUGJCHLLQ-AWEZNQCLSA-N 0 0 388.261 4.024 40 0 GIABRN COc1ccc(N2C[C@@H](C(=O)Oc3ccc(-c4ccccc4)cc3)CC2=O)cc1 ZINC000007928980 817962350 /nfs/dbraw/zinc/96/23/50/817962350.db2.gz KPDRVEAKEBVBRG-IBGZPJMESA-N 0 0 387.435 4.321 40 0 GIABRN CC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 ZINC000007928818 817962443 /nfs/dbraw/zinc/96/24/43/817962443.db2.gz YZBATRSKNLFZSU-ZDUSSCGKSA-N 0 0 392.238 4.155 40 0 GIABRN CCOc1ccc(N2C[C@H](C(=O)Oc3cc(C)ccc3C(C)C)CC2=O)cc1 ZINC000007929185 817963021 /nfs/dbraw/zinc/96/30/21/817963021.db2.gz VKDIWJWXVOKJEC-QGZVFWFLSA-N 0 0 381.472 4.476 40 0 GIABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000008051148 817989251 /nfs/dbraw/zinc/98/92/51/817989251.db2.gz FETWDCVCRYZHOE-OUZREKFBSA-N 0 0 398.934 4.355 40 0 GIABRN Cc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1C ZINC000015396840 818321213 /nfs/dbraw/zinc/32/12/13/818321213.db2.gz BIFFBJPUIAMMQB-UHFFFAOYSA-N 0 0 394.496 4.137 40 0 GIABRN C[C@H]1CCc2c(sc(NC(=O)COc3cccc4ccccc43)c2C(N)=O)C1 ZINC000016004394 818383832 /nfs/dbraw/zinc/38/38/32/818383832.db2.gz PXKQZXYJFYPNTG-ZDUSSCGKSA-N 0 0 394.496 4.143 40 0 GIABRN CO[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3Cc2ccccc2)C1 ZINC000019461667 818593312 /nfs/dbraw/zinc/59/33/12/818593312.db2.gz RYYOHVNNKMYFDP-QKNQBKEWSA-N 0 0 395.547 4.266 40 0 GIABRN COc1cc(C)ccc1CN1CCO[C@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000019693261 818599977 /nfs/dbraw/zinc/59/99/77/818599977.db2.gz ICOWUGBTLCVPSD-NRFANRHFSA-N 0 0 393.462 4.173 40 0 GIABRN COc1cccc(C(=O)Nc2nc(-c3cn(C)nc3-c3ccccc3)cs2)c1 ZINC000019696748 818600027 /nfs/dbraw/zinc/60/00/27/818600027.db2.gz VJPGGGSFQTUBHS-UHFFFAOYSA-N 0 0 390.468 4.472 40 0 GIABRN CNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)C(C)C)CC1 ZINC000019700188 818600077 /nfs/dbraw/zinc/60/00/77/818600077.db2.gz PZMXCVKCLCUHJM-UHFFFAOYSA-N 0 0 396.506 4.046 40 0 GIABRN Cn1cc(-c2csc(NC(=O)COc3ccccc3)n2)c(-c2ccccc2)n1 ZINC000019697086 818600086 /nfs/dbraw/zinc/60/00/86/818600086.db2.gz BKJLCVLYSRCCFW-UHFFFAOYSA-N 0 0 390.468 4.228 40 0 GIABRN COc1cccc(C(=O)Nc2nc(-c3cnn(C)c3-c3ccccc3)cs2)c1 ZINC000019697045 818600206 /nfs/dbraw/zinc/60/02/06/818600206.db2.gz URFJNCMSNREZJF-UHFFFAOYSA-N 0 0 390.468 4.472 40 0 GIABRN COc1ccccc1OCc1cc([C@H]2CCN(C(=O)CCC3CCCC3)C2)[nH]n1 ZINC000019704580 818601812 /nfs/dbraw/zinc/60/18/12/818601812.db2.gz VGDAPTUZDHCNES-SFHVURJKSA-N 0 0 397.519 4.284 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2N(C(=O)c3cccnc3)[C@H](c3ccccc3)C[C@@]21C ZINC000019713496 818603245 /nfs/dbraw/zinc/60/32/45/818603245.db2.gz JRVQUXOPPWJHPO-FIXSFTCYSA-N 0 0 391.515 4.219 40 0 GIABRN Cc1[nH]c2cccc(C(=O)N3CCC[C@](C)(C(=O)NC4CCCC4)C3)c2c1C ZINC000019746679 818605324 /nfs/dbraw/zinc/60/53/24/818605324.db2.gz MHGUWOKSHCOIPZ-QHCPKHFHSA-N 0 0 381.520 4.086 40 0 GIABRN CC(C)Oc1ccc(C(=O)NC(=S)Nc2cccc3cc(O)ccc32)cc1 ZINC000033614388 821058072 /nfs/dbraw/zinc/05/80/72/821058072.db2.gz SQABJBYZTXCNRC-UHFFFAOYSA-N 0 0 380.469 4.459 40 0 GIABRN Cc1ccc(NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000033773179 821060493 /nfs/dbraw/zinc/06/04/93/821060493.db2.gz NNJHADSRLMFBTI-IBGZPJMESA-N 0 0 384.476 4.044 40 0 GIABRN O=C(CN1C(=O)SC(=Cc2cccc(F)c2)C1=O)c1ccc(Cl)cc1 ZINC000038896091 821101021 /nfs/dbraw/zinc/10/10/21/821101021.db2.gz RWZRZZSMNJMRAQ-CXUHLZMHSA-N 0 0 375.808 4.398 40 0 GIABRN Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(N3CCCC3=O)c1)CC(C)(C)O2 ZINC000219215081 222593327 /nfs/dbraw/zinc/59/33/27/222593327.db2.gz LAPHTMRBBHLCEB-LJQANCHMSA-N 0 0 378.472 4.154 40 0 GIABRN Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccc(Cl)cc1 ZINC000003512265 230830923 /nfs/dbraw/zinc/83/09/23/230830923.db2.gz BBJMSFYCBYYNGI-UHFFFAOYSA-N 0 0 382.641 4.206 40 0 GIABRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21 ZINC000040133239 230930215 /nfs/dbraw/zinc/93/02/15/230930215.db2.gz PXNNOTNHODLLFS-VTIGABEFSA-N 0 0 381.495 4.112 40 0 GIABRN Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1C ZINC000059227375 230943272 /nfs/dbraw/zinc/94/32/72/230943272.db2.gz TWLBMGMPFVNPCI-AWEZNQCLSA-N 0 0 376.378 4.314 40 0 GIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 ZINC000222886092 222617847 /nfs/dbraw/zinc/61/78/47/222617847.db2.gz REYTXUKZKUSYPZ-PMACEKPBSA-N 0 0 380.492 4.394 40 0 GIABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F ZINC000222885999 222617984 /nfs/dbraw/zinc/61/79/84/222617984.db2.gz JQHWEFHGNQOOMW-WOJBJXKFSA-N 0 0 380.492 4.394 40 0 GIABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(OC)cc1 ZINC000222887519 222618422 /nfs/dbraw/zinc/61/84/22/222618422.db2.gz IERFRDPRLQZNCN-RTWAWAEBSA-N 0 0 392.528 4.263 40 0 GIABRN COc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1Cl ZINC000106764079 231019453 /nfs/dbraw/zinc/01/94/53/231019453.db2.gz PMZLIOLVYRHAJW-ATVHPVEESA-N 0 0 389.860 4.464 40 0 GIABRN COc1cc(CO)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408554142 231059042 /nfs/dbraw/zinc/05/90/42/231059042.db2.gz ZTKVBVQPLJLETK-UHFFFAOYSA-N 0 0 390.650 4.165 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N1CCCCCC1 ZINC000408586448 231069347 /nfs/dbraw/zinc/06/93/47/231069347.db2.gz AEICOEBTMVSAHI-UHFFFAOYSA-N 0 0 391.468 4.034 40 0 GIABRN O=Cc1ccc(OCC(=O)Nc2ccc(Br)c3ccccc23)cc1 ZINC000408599403 231073809 /nfs/dbraw/zinc/07/38/09/231073809.db2.gz GXXMZCYDQVEBQL-UHFFFAOYSA-N 0 0 384.229 4.432 40 0 GIABRN Cc1ccc(-c2nnc(SC(=O)c3cc(Br)ccc3O)o2)cc1 ZINC000408600269 231073958 /nfs/dbraw/zinc/07/39/58/231073958.db2.gz XXANCTCCDGELSS-UHFFFAOYSA-N 0 0 391.246 4.446 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)cc1 ZINC000408604912 231076691 /nfs/dbraw/zinc/07/66/91/231076691.db2.gz JDEIBCMAANPFSV-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN COc1ccc(C(=O)CN(C(=O)c2ccccc2Cl)n2c(C)ccc2C)cc1 ZINC000408685116 231094531 /nfs/dbraw/zinc/09/45/31/231094531.db2.gz ORSBBXBETPFKFL-UHFFFAOYSA-N 0 0 396.874 4.428 40 0 GIABRN O=C(c1ccc(N2C(=O)CCC2=O)cc1)N(C1CCCCC1)C1CCCCC1 ZINC000408721615 231106111 /nfs/dbraw/zinc/10/61/11/231106111.db2.gz JZCPEMFFKGGAGM-UHFFFAOYSA-N 0 0 382.504 4.448 40 0 GIABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000408706335 231100304 /nfs/dbraw/zinc/10/03/04/231100304.db2.gz CIJVCEIHBGPVOD-IBGZPJMESA-N 0 0 380.532 4.096 40 0 GIABRN Cc1cccc(C)c1NC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O ZINC000408628145 231088155 /nfs/dbraw/zinc/08/81/55/231088155.db2.gz UWNSNYYGIXNTJF-UHFFFAOYSA-N 0 0 392.480 4.118 40 0 GIABRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)C(C)(C)C)cc3O)oc2c1 ZINC000408628446 231088828 /nfs/dbraw/zinc/08/88/28/231088828.db2.gz UAKGLMFMHUCHBT-UHFFFAOYSA-N 0 0 383.473 4.368 40 0 GIABRN O=C(Cc1ccccc1)Nc1ccc(NC(=S)NC(=O)c2cccs2)cc1 ZINC000408628779 231088874 /nfs/dbraw/zinc/08/88/74/231088874.db2.gz XLKUCZSRCFGEAI-UHFFFAOYSA-N 0 0 395.509 4.056 40 0 GIABRN Cc1sc(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)nc1-c1ccccc1 ZINC000408738663 231109608 /nfs/dbraw/zinc/10/96/08/231109608.db2.gz UJXMLIIKIREARY-AWEZNQCLSA-N 0 0 395.484 4.372 40 0 GIABRN Cc1cc(C)cc(CSCC(=O)Nc2ccccc2C(=O)N2CCCC2)c1 ZINC000409026076 231148692 /nfs/dbraw/zinc/14/86/92/231148692.db2.gz FMYQVRQXSYAOPG-UHFFFAOYSA-N 0 0 382.529 4.411 40 0 GIABRN COc1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc1C ZINC000409051311 231151372 /nfs/dbraw/zinc/15/13/72/231151372.db2.gz BVRAUICKAYGFAP-PDGQHHTCSA-N 0 0 387.432 4.258 40 0 GIABRN O=C1N/C(=C/c2ccc(Cl)cc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000408930027 231132354 /nfs/dbraw/zinc/13/23/54/231132354.db2.gz RBBILQHETPWQGP-OQLLNIDSSA-N 0 0 391.652 4.195 40 0 GIABRN O=C1NC(=Cc2ccc(Br)s2)C(=O)N1c1ccc(Cl)cc1 ZINC000409175038 231174674 /nfs/dbraw/zinc/17/46/74/231174674.db2.gz YKKVFZHSZMKCMR-YRNVUSSQSA-N 0 0 383.654 4.261 40 0 GIABRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(F)cc3)cc2)cc1 ZINC000409176343 231174737 /nfs/dbraw/zinc/17/47/37/231174737.db2.gz LBDFAFQXXADROG-UHFFFAOYSA-N 0 0 392.382 4.393 40 0 GIABRN Cc1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)c(C)c1 ZINC000409181611 231175713 /nfs/dbraw/zinc/17/57/13/231175713.db2.gz DOJMNXGJOIICOX-UHFFFAOYSA-N 0 0 377.396 4.171 40 0 GIABRN Cc1ccc(NC(=O)COc2ccc(C(=S)N3CCC(C)CC3)cc2)cc1 ZINC000409241687 231186865 /nfs/dbraw/zinc/18/68/65/231186865.db2.gz SXTUEWLABGTXBK-UHFFFAOYSA-N 0 0 382.529 4.420 40 0 GIABRN Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc1 ZINC000409321053 231190147 /nfs/dbraw/zinc/19/01/47/231190147.db2.gz DIBWENVVZGVMGD-WOJGMQOQSA-N 0 0 380.469 4.287 40 0 GIABRN O=C(CSc1nnc(Cc2ccccc2)[nH]1)Nc1cccc(Cl)c1Cl ZINC000409386050 231199334 /nfs/dbraw/zinc/19/93/34/231199334.db2.gz QRUWISIPKJHTEZ-UHFFFAOYSA-N 0 0 393.299 4.433 40 0 GIABRN CCc1ccc(OCC(=O)Nc2ccc(I)cc2F)cc1 ZINC000408621108 529694747 /nfs/dbraw/zinc/69/47/47/529694747.db2.gz JTCYKWFSHMDFMA-UHFFFAOYSA-N 0 0 399.203 4.010 40 0 GIABRN CCCC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223706783 222640891 /nfs/dbraw/zinc/64/08/91/222640891.db2.gz KIZVARQNBDRTEY-GCJKJVERSA-N 0 0 398.522 4.480 40 0 GIABRN CCCCOCc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1OCC ZINC000224730311 222663031 /nfs/dbraw/zinc/66/30/31/222663031.db2.gz HGTOBTCCQVPQNG-UHFFFAOYSA-N 0 0 396.531 4.364 40 0 GIABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2cccc(N3CCCC3=O)c2)c1 ZINC000225171081 222670164 /nfs/dbraw/zinc/67/01/64/222670164.db2.gz WIGKCWSEIAHSKM-SFHVURJKSA-N 0 0 394.515 4.329 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1 ZINC000225170266 222670469 /nfs/dbraw/zinc/67/04/69/222670469.db2.gz AIKVWLDPQPAMOK-SFHVURJKSA-N 0 0 384.495 4.092 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1cc(C)cc(C)c1 ZINC000225214314 222671136 /nfs/dbraw/zinc/67/11/36/222671136.db2.gz SZPHLVPMIOCBMB-IBGZPJMESA-N 0 0 398.572 4.008 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)NCc2ccccc2OC)cc1Cl ZINC000225313267 222673905 /nfs/dbraw/zinc/67/39/05/222673905.db2.gz PSZJLTPUYBQIAH-UHFFFAOYSA-N 0 0 378.881 4.012 40 0 GIABRN COCC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3c(cccc3C)[nH]2)C[C@H]1C(C)C ZINC000072320966 291137377 /nfs/dbraw/zinc/13/73/77/291137377.db2.gz JZDWLBHWCHDYNL-FHWLQOOXSA-N 0 0 383.536 4.031 40 0 biogenic,in-vitro GIABRN CCCNC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3cccnc3[nH]2)C[C@H]1C(C)C ZINC000072320812 291136397 /nfs/dbraw/zinc/13/63/97/291136397.db2.gz STMDYMDLPKJLCY-BZSNNMDCSA-N 0 0 383.540 4.064 40 0 biogenic,in-vitro GIABRN Fc1cccc(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)c1F ZINC000328964915 203766718 /nfs/dbraw/zinc/76/67/18/203766718.db2.gz BYDDNTBATWYRGJ-UHFFFAOYSA-N 0 0 381.430 4.149 40 0 GIABRN CCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2cccnc2)n1 ZINC000329005210 203768942 /nfs/dbraw/zinc/76/89/42/203768942.db2.gz KWXKYFZPNCQTDM-UHFFFAOYSA-N 0 0 391.422 4.170 40 0 GIABRN Cc1cc(C)cc(Nc2cc(-c3ccccc3)nc(N[C@H](CO)C(C)C)n2)c1 ZINC000329066325 203771924 /nfs/dbraw/zinc/77/19/24/203771924.db2.gz XZXFLDTVRMABCP-OAQYLSRUSA-N 0 0 376.504 4.355 40 0 GIABRN C[C@H]1CN(C(=O)c2ccc(Cl)cc2)[C@@H](C)CN1C(=O)c1ccc(Cl)cc1 ZINC000001575371 203914260 /nfs/dbraw/zinc/91/42/60/203914260.db2.gz LWYMDXFBQHMGLW-KBPBESRZSA-N 0 0 391.298 4.369 40 0 GIABRN C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000004287802 204036705 /nfs/dbraw/zinc/03/67/05/204036705.db2.gz JTDBKCACGGYRPG-ZENOOKHLSA-N 0 0 392.956 4.311 40 0 GIABRN O=C(COc1ccc(Cl)cc1Br)NCc1ccccc1Cl ZINC000003510418 204011600 /nfs/dbraw/zinc/01/16/00/204011600.db2.gz AWSSBTONYPBKEY-UHFFFAOYSA-N 0 0 389.076 4.451 40 0 GIABRN COc1ccc(-c2nnc(SCc3ccccc3Cl)n2C)cc1OC ZINC000004130656 204028804 /nfs/dbraw/zinc/02/88/04/204028804.db2.gz RISYSBPUYPKFIP-UHFFFAOYSA-N 0 0 375.881 4.445 40 0 GIABRN CCCNC(=S)N(Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000004216119 204033174 /nfs/dbraw/zinc/03/31/74/204033174.db2.gz OAQHSHVULIVKKG-UHFFFAOYSA-N 0 0 399.585 4.493 40 0 GIABRN Cc1ccccc1NC(=O)[C@@H]1C(=O)N(C)[C@]23CCCC[C@@H]2[C@H]1c1ccccc1O3 ZINC000004569007 204054011 /nfs/dbraw/zinc/05/40/11/204054011.db2.gz MMLUGARTGRZYLY-ONOGEGBSSA-N 0 0 390.483 4.084 40 0 GIABRN CCC[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c2C(N)=O)C1 ZINC000004628372 204059446 /nfs/dbraw/zinc/05/94/46/204059446.db2.gz MPDRYGQPUFGDCW-IAOVAPTHSA-N 0 0 382.529 4.494 40 0 GIABRN CCC[C@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)c2C(N)=O)C1 ZINC000004628375 204059679 /nfs/dbraw/zinc/05/96/79/204059679.db2.gz MPDRYGQPUFGDCW-XKQJLSEDSA-N 0 0 382.529 4.494 40 0 GIABRN COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1cccc(F)c1 ZINC000005163898 204116644 /nfs/dbraw/zinc/11/66/44/204116644.db2.gz WBMRCZDDGIOYSR-NWSQWKLXSA-N 0 0 383.463 4.343 40 0 GIABRN Cc1ccc(/C=C/C(=O)NCCCCNC(=O)/C=C\c2ccc(C)cc2)cc1 ZINC000004963704 204097183 /nfs/dbraw/zinc/09/71/83/204097183.db2.gz IERBFMHXMZZBEY-VCFJNTAESA-N 0 0 376.500 4.043 40 0 GIABRN CC(=O)c1nn(-c2cc(Cl)ccc2Cl)/c(=N/C(=O)c2ccccc2)s1 ZINC000005726496 204148408 /nfs/dbraw/zinc/14/84/08/204148408.db2.gz VRTDCTGIJNBCHW-JZJYNLBNSA-N 0 0 392.267 4.184 40 0 GIABRN CCOC(=O)C1=CN(Cc2ccccc2)[C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C1 ZINC000005828667 204152982 /nfs/dbraw/zinc/15/29/82/204152982.db2.gz IDPPECWXGYLOCA-PZJWPPBQSA-N 0 0 396.874 4.370 40 0 GIABRN S=c1nc2[nH]c(=S)[nH]c(-c3ccc(Br)s3)c-2c(=S)[nH]1 ZINC000005865095 204154052 /nfs/dbraw/zinc/15/40/52/204154052.db2.gz WZKHVMOUWOYWSO-UHFFFAOYSA-N 0 0 389.350 4.102 40 0 GIABRN Cc1cccc(NC(=S)N2CCC(NC(=O)c3ccccc3C)CC2)c1C ZINC000035291900 204157357 /nfs/dbraw/zinc/15/73/57/204157357.db2.gz NOQLZKWBUNEOOB-UHFFFAOYSA-N 0 0 381.545 4.203 40 0 GIABRN O=C(Cn1ccc2cc(Br)ccc21)Nc1ccc(F)c(F)c1F ZINC000006045378 204162589 /nfs/dbraw/zinc/16/25/89/204162589.db2.gz LULNQSOTYWWZHL-UHFFFAOYSA-N 0 0 383.167 4.460 40 0 GIABRN COc1ccc(NC(=O)c2sc3nc4cc5c(cc4cc3c2N)OCO5)cc1 ZINC000035311083 204170274 /nfs/dbraw/zinc/17/02/74/204170274.db2.gz BIHCHVAYFZRKHF-UHFFFAOYSA-N 0 0 393.424 4.021 40 0 GIABRN COc1ccc([C@H](OC(=O)c2cccs2)C(=O)NCc2ccc(C)cc2)cc1 ZINC000035312460 204166475 /nfs/dbraw/zinc/16/64/75/204166475.db2.gz CEWOWISMONHKRM-FQEVSTJZSA-N 0 0 395.480 4.280 40 0 GIABRN Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C(=O)Nc2ccccc2F)cc1 ZINC000035311798 204166515 /nfs/dbraw/zinc/16/65/15/204166515.db2.gz QWOGWSXZNYHRMU-YQQQUEKLSA-N 0 0 395.478 4.482 40 0 GIABRN CC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccccc4F)n3)ccc21 ZINC000035315332 204168966 /nfs/dbraw/zinc/16/89/66/204168966.db2.gz OXSCQLRFJBTPMB-UHFFFAOYSA-N 0 0 381.432 4.111 40 0 GIABRN COc1cc(OC)cc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000005497062 204135412 /nfs/dbraw/zinc/13/54/12/204135412.db2.gz VAOJISKQDLJEDE-UHFFFAOYSA-N 0 0 389.757 4.394 40 0 GIABRN COc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1 ZINC000005598799 204141753 /nfs/dbraw/zinc/14/17/53/204141753.db2.gz VPDPMDNANSJTNG-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN O=C(Nc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1)c1cccs1 ZINC000005590671 204141882 /nfs/dbraw/zinc/14/18/82/204141882.db2.gz FWRAGNAEIPGSEX-UHFFFAOYSA-N 0 0 399.472 4.266 40 0 GIABRN O=C(c1cccs1)c1noc(-c2ccco2)c1S(=O)(=O)c1ccccc1 ZINC000005684518 204145774 /nfs/dbraw/zinc/14/57/74/204145774.db2.gz OXRLQUGSSPDNAU-UHFFFAOYSA-N 0 0 385.422 4.060 40 0 GIABRN Fc1ccc(C=C2CCCC3C2=Nc2nnnn2[C@H]3c2ccc(F)cc2)cc1 ZINC000006241362 204172514 /nfs/dbraw/zinc/17/25/14/204172514.db2.gz NUQYSDFJBOPEQT-IURSYISVSA-N 0 0 377.398 4.488 40 0 GIABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)CC)cc3n2)cc1 ZINC000006264772 204173010 /nfs/dbraw/zinc/17/30/10/204173010.db2.gz JANKYOIUKYXIHA-UHFFFAOYSA-N 0 0 395.532 4.295 40 0 GIABRN O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1cccc(Cl)c1 ZINC000006529826 204182350 /nfs/dbraw/zinc/18/23/50/204182350.db2.gz MJDBLXKGQNLCHH-UHFFFAOYSA-N 0 0 376.799 4.393 40 0 GIABRN CCCCC(=O)Nc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1OC ZINC000006591909 204186051 /nfs/dbraw/zinc/18/60/51/204186051.db2.gz OTHUEJUEEKWEMX-UHFFFAOYSA-N 0 0 384.476 4.458 40 0 GIABRN CCCCC(=O)NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl ZINC000006634980 204187289 /nfs/dbraw/zinc/18/72/89/204187289.db2.gz YJFBWSJBWRDXSG-UHFFFAOYSA-N 0 0 387.896 4.077 40 0 GIABRN O=C(NCCSCc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000007270994 204237442 /nfs/dbraw/zinc/23/74/42/204237442.db2.gz QIZDWVXUJQYGSW-UHFFFAOYSA-N 0 0 388.920 4.130 40 0 GIABRN CCOc1ccc([C@H](C)NC(=O)CSc2ccc(OC)cc2)cc1OCC ZINC000007312845 204239283 /nfs/dbraw/zinc/23/92/83/204239283.db2.gz ACAIROWFZGULOT-HNNXBMFYSA-N 0 0 389.517 4.462 40 0 GIABRN COc1ccc(-c2noc(CN(C)C(=O)CCSCc3ccccc3)n2)cc1 ZINC000007686074 204246829 /nfs/dbraw/zinc/24/68/29/204246829.db2.gz LZETZFPANIQWEB-UHFFFAOYSA-N 0 0 397.500 4.027 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)COc3ccc4ccccc4c3)n2)cc1 ZINC000007759264 204249070 /nfs/dbraw/zinc/24/90/70/204249070.db2.gz SQDUKACKHCXXOR-UHFFFAOYSA-N 0 0 387.439 4.236 40 0 GIABRN Cc1ccc(SCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000007780675 204249679 /nfs/dbraw/zinc/24/96/79/204249679.db2.gz IGFHSAOFPHVSGB-UHFFFAOYSA-N 0 0 387.892 4.449 40 0 GIABRN CCCSc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)s1 ZINC000008792833 204291496 /nfs/dbraw/zinc/29/14/96/204291496.db2.gz TWCRFJPOPZZDQZ-UHFFFAOYSA-N 0 0 378.306 4.365 40 0 GIABRN CCCCOc1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)n[nH]2)cc1 ZINC000008904554 204292777 /nfs/dbraw/zinc/29/27/77/204292777.db2.gz DXEGTJLXTFHQPN-UHFFFAOYSA-N 0 0 393.491 4.231 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)cc1 ZINC000008195862 204266113 /nfs/dbraw/zinc/26/61/13/204266113.db2.gz GQLUEFKTFRKKRT-KRWDZBQOSA-N 0 0 394.496 4.287 40 0 GIABRN O=C(Nc1ccc(-c2nn3cnnc3s2)cc1)c1cc(Cl)ccc1Cl ZINC000008379291 204274281 /nfs/dbraw/zinc/27/42/81/204274281.db2.gz VNMHWOIMJRRVEJ-UHFFFAOYSA-N 0 0 390.255 4.412 40 0 GIABRN C[C@H](Oc1ccc(Br)cc1)C(=O)NCCSc1ccccc1 ZINC000008361155 204274973 /nfs/dbraw/zinc/27/49/73/204274973.db2.gz RDLBSMDHVHGXRP-ZDUSSCGKSA-N 0 0 380.307 4.125 40 0 GIABRN CCc1nc2sc([C@@H](c3cccc(F)c3)[NH+]3C[C@@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000036104822 204305482 /nfs/dbraw/zinc/30/54/82/204305482.db2.gz ICAMTYSXWVYUSH-GDZNZVCISA-N 0 0 388.512 4.265 40 0 GIABRN COc1cc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)cc(OC)c1OC ZINC000009887834 204326712 /nfs/dbraw/zinc/32/67/12/204326712.db2.gz PAFJTBWWAKLZJF-UHFFFAOYSA-N 0 0 391.467 4.238 40 0 GIABRN CCOc1cccc2c(C)nc(Nc3nc(-c4ccccc4C)cc(=O)[nH]3)nc12 ZINC000010157418 204331206 /nfs/dbraw/zinc/33/12/06/204331206.db2.gz ULQYYFFNODSLOZ-UHFFFAOYSA-N 0 0 387.443 4.139 40 0 GIABRN Cc1cc2nc(Nc3nc(-c4ccc(F)cc4)cc(=O)[nH]3)nc(C)c2cc1C ZINC000010157409 204331664 /nfs/dbraw/zinc/33/16/64/204331664.db2.gz ADMQVRBPHGQXDC-UHFFFAOYSA-N 0 0 375.407 4.188 40 0 GIABRN Cc1nn(-c2nc3ccccc3s2)c2c1C(=O)C[C@@H](c1ccccc1O)C2 ZINC000010157235 204332112 /nfs/dbraw/zinc/33/21/12/204332112.db2.gz OLLSDFAOOSORGI-ZDUSSCGKSA-N 0 0 375.453 4.409 40 0 GIABRN COc1ccc(CCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1OC ZINC000011560854 204347904 /nfs/dbraw/zinc/34/79/04/204347904.db2.gz DGHAVIIKJRJBMR-UHFFFAOYSA-N 0 0 376.456 4.261 40 0 GIABRN O=C(CCn1c(=O)oc2ccccc21)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 ZINC000012181023 204378045 /nfs/dbraw/zinc/37/80/45/204378045.db2.gz HJHVGMWOTCAPKS-JLYLLQBASA-N 0 0 394.446 4.061 40 0 GIABRN CCCCc1nc(Cl)c(CN2CCC[C@@H](n3c4ccccc4oc3=O)C2)[nH]1 ZINC000012087605 204370679 /nfs/dbraw/zinc/37/06/79/204370679.db2.gz GFEFUVVJEPGDJP-CQSZACIVSA-N 0 0 388.899 4.151 40 0 GIABRN COc1ccccc1CCC(=O)N1CCC(c2nc3ccccc3cc2N)CC1 ZINC000012087772 204371315 /nfs/dbraw/zinc/37/13/15/204371315.db2.gz KNXWPFSGMHEDSD-UHFFFAOYSA-N 0 0 389.499 4.164 40 0 GIABRN Cc1onc(C(C)C)c1C(=O)N1CCC[C@H](c2nc3ccccc3cc2N)C1 ZINC000012088074 204371603 /nfs/dbraw/zinc/37/16/03/204371603.db2.gz WPNPZRGQMRUCBS-INIZCTEOSA-N 0 0 378.476 4.257 40 0 GIABRN C[C@H](NC(=O)c1nccc2ccccc21)c1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000012114706 204371834 /nfs/dbraw/zinc/37/18/34/204371834.db2.gz FIFHZXPBVBVJDB-LBPRGKRZSA-N 0 0 377.835 4.164 40 0 GIABRN COc1cccc(Cn2c3cc(C)sc3c3cnn(CC4CC4)c(=O)c32)c1 ZINC000012113543 204372679 /nfs/dbraw/zinc/37/26/79/204372679.db2.gz CIINLOKXPIHZIA-UHFFFAOYSA-N 0 0 379.485 4.188 40 0 GIABRN CCOc1ccc2[nH]c(=O)c(CNc3ccc(OCC)cc3OCC)cc2c1 ZINC000012144342 204375025 /nfs/dbraw/zinc/37/50/25/204375025.db2.gz QPRWMTNWRIMCAB-UHFFFAOYSA-N 0 0 382.460 4.336 40 0 GIABRN Cc1sc2nc(C(C)C)n(C3CCN(C(=O)c4ccco4)CC3)c(=O)c2c1C ZINC000012145444 204375046 /nfs/dbraw/zinc/37/50/46/204375046.db2.gz AEOHENMOIBNZOX-UHFFFAOYSA-N 0 0 399.516 4.269 40 0 GIABRN CCOc1ccc2cc(CNc3ccc(OCC)cc3OCC)c(=O)[nH]c2c1 ZINC000012144346 204375770 /nfs/dbraw/zinc/37/57/70/204375770.db2.gz HYPRGXQZUIKKNI-UHFFFAOYSA-N 0 0 382.460 4.336 40 0 GIABRN COc1ccc(CNc2n[nH]c3nc(C)cc(C)c23)cc1Cn1nc(C)cc1C ZINC000012143050 204375900 /nfs/dbraw/zinc/37/59/00/204375900.db2.gz MTSATWYXRCPSOE-UHFFFAOYSA-N 0 0 390.491 4.057 40 0 GIABRN CCc1c(C)noc1-c1cnc(N2CCC[C@@H](C)C2)nc1-c1cnc(C)cn1 ZINC000012156396 204376295 /nfs/dbraw/zinc/37/62/95/204376295.db2.gz VCNCSMFXYWJIJR-CYBMUJFWSA-N 0 0 378.480 4.004 40 0 GIABRN Cc1ccccc1C1(O)CCN(C(=O)CSc2nccc3ccccc32)CC1 ZINC000012148714 204376433 /nfs/dbraw/zinc/37/64/33/204376433.db2.gz GVBCVKCLJRAKGF-UHFFFAOYSA-N 0 0 392.524 4.146 40 0 GIABRN COc1ccc([C@H](NC(=O)Cn2ccc3ccc(F)cc32)c2ccncc2)cc1 ZINC000012148493 204376729 /nfs/dbraw/zinc/37/67/29/204376729.db2.gz DASKBSOOBFQQRX-QHCPKHFHSA-N 0 0 389.430 4.090 40 0 GIABRN CCOc1ccccc1-c1cc(C(=O)N2CCn3cccc3[C@@H]2C(C)C)[nH]n1 ZINC000012147491 204377059 /nfs/dbraw/zinc/37/70/59/204377059.db2.gz LHFFWLRATNXSJT-NRFANRHFSA-N 0 0 378.476 4.130 40 0 GIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)CCn2nc(C)c(C)c2C)cc1 ZINC000012366631 204402110 /nfs/dbraw/zinc/40/21/10/204402110.db2.gz CTZQISWRVNXGSI-HTDNTCHWSA-N 0 0 395.547 4.296 40 0 GIABRN COc1ccc2cnc(C3CCN(C(=O)c4cc(C5CC5)on4)CC3)cc2c1C ZINC000012186579 204379796 /nfs/dbraw/zinc/37/97/96/204379796.db2.gz GDMXFJKYIQEFJZ-UHFFFAOYSA-N 0 0 391.471 4.437 40 0 GIABRN Cc1cc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccc(C)o2)on1 ZINC000012186040 204379997 /nfs/dbraw/zinc/37/99/97/204379997.db2.gz JPAVNSVAMVMPSA-UHFFFAOYSA-N 0 0 390.399 4.349 40 0 GIABRN COc1ccc(-c2nc(NC(=O)c3cnc(SC)nc3)sc2C)cc1F ZINC000012191878 204381028 /nfs/dbraw/zinc/38/10/28/204381028.db2.gz LIQRSNMEZPOOOO-UHFFFAOYSA-N 0 0 390.465 4.030 40 0 GIABRN CC[C@@H](NC(=O)c1cc(=O)c2cc(C)c(C)cc2o1)c1c(C)nn(CC)c1C ZINC000012195474 204381227 /nfs/dbraw/zinc/38/12/27/204381227.db2.gz ZPFLOENHRWCDIW-QGZVFWFLSA-N 0 0 381.476 4.124 40 0 GIABRN C[C@H](C(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21)c1ccccc1 ZINC000012220870 204383669 /nfs/dbraw/zinc/38/36/69/204383669.db2.gz YRAZIAADJLTQPK-HRAATJIYSA-N 0 0 386.499 4.472 40 0 GIABRN CC[C@@H](C)C(=O)N1CCC[C@@H]1Cn1c2ccc(C)cc2c(=O)cc1C(F)(F)F ZINC000012222078 204385429 /nfs/dbraw/zinc/38/54/29/204385429.db2.gz KWNFGKMOBZCFNW-HUUCEWRRSA-N 0 0 394.437 4.366 40 0 GIABRN CC[C@@H](CO)NC(=O)C1(Cc2ccccc2-c2ccc(C)cc2C)CCOCC1 ZINC000012231604 204386395 /nfs/dbraw/zinc/38/63/95/204386395.db2.gz QDIBTIIPWSQKDR-NRFANRHFSA-N 0 0 395.543 4.197 40 0 GIABRN CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC000012238700 204386961 /nfs/dbraw/zinc/38/69/61/204386961.db2.gz CIFAIBAZGBSBST-JOCHJYFZSA-N 0 0 398.510 4.471 40 0 GIABRN CN(C(=O)CSc1nnc(COc2ccc(Cl)cc2)o1)c1ccccc1 ZINC000012249576 204387696 /nfs/dbraw/zinc/38/76/96/204387696.db2.gz RXGOLSDBTGRXGY-UHFFFAOYSA-N 0 0 389.864 4.057 40 0 GIABRN CCOc1ccc2[nH]c(C(=O)N3CCC[C@@](O)(c4ccc(F)cc4)CC3)cc2c1 ZINC000012251693 204388035 /nfs/dbraw/zinc/38/80/35/204388035.db2.gz GFPWXSPYCJEQIT-QHCPKHFHSA-N 0 0 396.462 4.220 40 0 GIABRN Cc1ccc2n1CCN(C(=O)c1cc(=O)c3cc(C)c(C)cc3o1)[C@H]2C(C)C ZINC000012290530 204389295 /nfs/dbraw/zinc/38/92/95/204389295.db2.gz MKBSXOOWAZZGMC-QFIPXVFZSA-N 0 0 378.472 4.373 40 0 GIABRN Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H](C)NC(=O)c1cccs1 ZINC000012337271 204398877 /nfs/dbraw/zinc/39/88/77/204398877.db2.gz GBEHKJQTFRABJF-GFCCVEGCSA-N 0 0 394.418 4.209 40 0 GIABRN C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@@H]3CC=CCC3)cc2N1 ZINC000012337975 204399144 /nfs/dbraw/zinc/39/91/44/204399144.db2.gz NNLGDQHSYTXUSZ-RRCSTGOVSA-N 0 0 382.430 4.210 40 0 GIABRN CNc1ncccc1CN1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000012326638 204399231 /nfs/dbraw/zinc/39/92/31/204399231.db2.gz STMHFWZUDNLKOC-HSZRJFAPSA-N 0 0 389.499 4.288 40 0 GIABRN Cc1cc2nc([C@@H]3CCCN(C(=O)CC4CCCC4)C3)cc(C(F)(F)F)n2n1 ZINC000013226814 204484437 /nfs/dbraw/zinc/48/44/37/204484437.db2.gz IZUPIQUFYVUXLW-OAHLLOKOSA-N 0 0 394.441 4.343 40 0 GIABRN CC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 ZINC000014001103 204519322 /nfs/dbraw/zinc/51/93/22/204519322.db2.gz RLYBTIRMKKKQFR-UHFFFAOYSA-N 0 0 380.488 4.454 40 0 GIABRN C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000015197102 204564124 /nfs/dbraw/zinc/56/41/24/204564124.db2.gz TZEUCZYEEVDWMB-GCZGVDRJSA-N 0 0 398.311 4.288 40 0 GIABRN CCn1nc(C)c2c1nc(C)cc2C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000036612145 204563273 /nfs/dbraw/zinc/56/32/73/204563273.db2.gz JEJKEWWGVNHYIK-UHFFFAOYSA-N 0 0 376.504 4.163 40 0 GIABRN CCOC(=O)Cc1sc(Nc2cccc3ccccc32)nc1C(=O)OCC ZINC000016682888 204599528 /nfs/dbraw/zinc/59/95/28/204599528.db2.gz KFLGNOMBTNYRJK-UHFFFAOYSA-N 0 0 384.457 4.322 40 0 GIABRN COc1ccccc1-c1ccccc1NC(=O)c1cc(C(C)C)n2ncnc2n1 ZINC000019452633 204642999 /nfs/dbraw/zinc/64/29/99/204642999.db2.gz LWVATBNMSMOERO-UHFFFAOYSA-N 0 0 387.443 4.176 40 0 GIABRN COc1ccccc1[C@@H](C)NC(=O)c1cc(-c2cccnc2)c2cnccc2n1 ZINC000019459523 204645242 /nfs/dbraw/zinc/64/52/42/204645242.db2.gz GVOPBACABNTTFC-OAHLLOKOSA-N 0 0 384.439 4.191 40 0 GIABRN COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Cn2cnc3ccccc32)c(OC)c1 ZINC000019457715 204645273 /nfs/dbraw/zinc/64/52/73/204645273.db2.gz XEQFWPBBDUAFEL-JXFKEZNVSA-N 0 0 393.487 4.053 40 0 GIABRN COCCCN(Cc1ccc2c(c1)C[C@@H](C)O2)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000019498158 204647054 /nfs/dbraw/zinc/64/70/54/204647054.db2.gz NEDUZWPGZCGBPN-OAHLLOKOSA-N 0 0 396.462 4.309 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@H]2CCCCN2C(=O)Cc2ccccc2C)on1 ZINC000019237083 204633287 /nfs/dbraw/zinc/63/32/87/204633287.db2.gz NUFXPORULAQHSX-HXUWFJFHSA-N 0 0 390.487 4.353 40 0 GIABRN Cc1noc(C)c1C(=O)N1CCCC[C@H]1c1nc(C)ncc1-c1ccncc1C ZINC000019239733 204634464 /nfs/dbraw/zinc/63/44/64/204634464.db2.gz ZHPAICIFRNQWST-IBGZPJMESA-N 0 0 391.475 4.128 40 0 GIABRN O=C(NCc1nc(Cc2ccccc2)no1)c1cc(C2CC2)nc2ccccc21 ZINC000019663113 204667042 /nfs/dbraw/zinc/66/70/42/204667042.db2.gz WRWHPFXARZMIMS-UHFFFAOYSA-N 0 0 384.439 4.016 40 0 GIABRN O=C(NCc1cccc(N2CCCCC2)c1)C1(c2cccc(F)c2)CCOCC1 ZINC000019662073 204667242 /nfs/dbraw/zinc/66/72/42/204667242.db2.gz CBUXBAXCMIYVHB-UHFFFAOYSA-N 0 0 396.506 4.181 40 0 GIABRN Cn1cc(CCNC(=O)c2cc(-n3cccn3)ccc2Cl)c2cc(F)ccc21 ZINC000019715133 204675323 /nfs/dbraw/zinc/67/53/23/204675323.db2.gz QQSMNMVZSAEEEW-UHFFFAOYSA-N 0 0 396.853 4.129 40 0 GIABRN COc1cccc(CC[C@@H]2CCCCN2C(=O)c2ccc3c(c2)ncn3C)c1 ZINC000019718639 204677372 /nfs/dbraw/zinc/67/73/72/204677372.db2.gz DJOHIQNUIFGKLF-IBGZPJMESA-N 0 0 377.488 4.209 40 0 GIABRN Cc1noc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)c2cccc(F)c2)c1C ZINC000019558203 204654337 /nfs/dbraw/zinc/65/43/37/204654337.db2.gz FYEBNQJLYIHZDA-SFHVURJKSA-N 0 0 382.439 4.198 40 0 GIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NC(=O)CCc2cccnc2)cc1OC ZINC000019561364 204655772 /nfs/dbraw/zinc/65/57/72/204655772.db2.gz NXIMRGNMTGBKIG-GABIRTJKSA-N 0 0 394.515 4.120 40 0 GIABRN Cc1nc([C@H]2CCCN2C(=O)C2CCCC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019755053 204682998 /nfs/dbraw/zinc/68/29/98/204682998.db2.gz RVAADEZWVKJSJP-LJQANCHMSA-N 0 0 396.466 4.030 40 0 GIABRN CCc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1 ZINC000020151610 204704479 /nfs/dbraw/zinc/70/44/79/204704479.db2.gz NGSZOYUMAOBAJX-UHFFFAOYSA-N 0 0 394.496 4.437 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(OC)cc2)c(Cl)c1 ZINC000020482723 204721259 /nfs/dbraw/zinc/72/12/59/204721259.db2.gz VIXWVCVSZIHXOS-SFHVURJKSA-N 0 0 391.851 4.321 40 0 GIABRN COc1ccc(SCC(=O)NCCSCc2cccc(C)c2)cc1OC ZINC000020488994 204722520 /nfs/dbraw/zinc/72/25/20/204722520.db2.gz NIEBQNWQJYAXCG-UHFFFAOYSA-N 0 0 391.558 4.154 40 0 GIABRN CCn1cc(C(=O)NCc2ccc(F)cc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022237055 204777336 /nfs/dbraw/zinc/77/73/36/204777336.db2.gz ARZBTVOMHQYBLL-UHFFFAOYSA-N 0 0 392.352 4.109 40 0 GIABRN CCOc1ccccc1CNC(=O)CSCc1ccc(Br)cc1 ZINC000022508660 204781644 /nfs/dbraw/zinc/78/16/44/204781644.db2.gz AZLQLKHGPPUHKD-UHFFFAOYSA-N 0 0 394.334 4.397 40 0 GIABRN COc1ccc(CCC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1OC ZINC000026907821 204849701 /nfs/dbraw/zinc/84/97/01/204849701.db2.gz LGKLTJQNZMAEOZ-UHFFFAOYSA-N 0 0 385.504 4.129 40 0 GIABRN COc1ccc(S[C@@H](C)C(=O)NCCSc2ccccc2)cc1OC ZINC000030754386 204897710 /nfs/dbraw/zinc/89/77/10/204897710.db2.gz NHLSTCATILYRKJ-AWEZNQCLSA-N 0 0 377.531 4.093 40 0 GIABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2C)cc1OC ZINC000032114858 204910270 /nfs/dbraw/zinc/91/02/70/204910270.db2.gz SHMMBKRCHOMPEK-UHFFFAOYSA-N 0 0 399.516 4.259 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2C)cc1 ZINC000038862788 205040091 /nfs/dbraw/zinc/04/00/91/205040091.db2.gz HTTKIBFQVAGCNN-MRXNPFEDSA-N 0 0 390.487 4.020 40 0 GIABRN COc1ccc(CCC(=O)N2CCc3nc(-c4cccc(F)c4)sc3C2)cc1 ZINC000036752098 205022341 /nfs/dbraw/zinc/02/23/41/205022341.db2.gz IWKLLQFRUCRDCC-UHFFFAOYSA-N 0 0 396.487 4.475 40 0 GIABRN O=C1CCCN1c1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000038755309 205038613 /nfs/dbraw/zinc/03/86/13/205038613.db2.gz NIIQTSYHKBHNRC-UHFFFAOYSA-N 0 0 399.299 4.062 40 0 GIABRN Cc1nc2nc3ccn(CCC(C)C)c(=O)c3c(-c3ccccc3Cl)n2n1 ZINC000040398386 205064257 /nfs/dbraw/zinc/06/42/57/205064257.db2.gz IDBKJILQKWCWGW-UHFFFAOYSA-N 0 0 381.867 4.114 40 0 GIABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(-n2ccnc2C)cc1 ZINC000044849459 205088720 /nfs/dbraw/zinc/08/87/20/205088720.db2.gz YFWNDZBHFIXJOD-JOCHJYFZSA-N 0 0 377.488 4.271 40 0 GIABRN Cc1nccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 ZINC000044900150 205088859 /nfs/dbraw/zinc/08/88/59/205088859.db2.gz NZAWJTBBDPDURB-QGZVFWFLSA-N 0 0 385.467 4.418 40 0 GIABRN CC(C)Oc1ccc(CCCNC(=O)c2ccc(Cn3ccnc3)cc2)cc1 ZINC000044916562 205090813 /nfs/dbraw/zinc/09/08/13/205090813.db2.gz KFIBVQPKOYDJSR-UHFFFAOYSA-N 0 0 377.488 4.081 40 0 GIABRN Cc1cccc(OCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1C ZINC000059181205 205177891 /nfs/dbraw/zinc/17/78/91/205177891.db2.gz VOEJHGFXKGPOMO-UHFFFAOYSA-N 0 0 380.488 4.383 40 0 GIABRN Cc1cc(-c2cc(=O)n(CCC(=O)c3ccccc3)nc2-c2cccs2)on1 ZINC000072337065 205328690 /nfs/dbraw/zinc/32/86/90/205328690.db2.gz DUVZEHRHVQHOCZ-UHFFFAOYSA-N 0 0 391.452 4.208 40 0 GIABRN COc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)c4ccncc4)C3)n2)c1 ZINC000072349172 205330091 /nfs/dbraw/zinc/33/00/91/205330091.db2.gz JIDKILUIBZZNML-HXUWFJFHSA-N 0 0 387.483 4.096 40 0 GIABRN Cc1n[nH]cc1C(=O)N1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000072349767 205330167 /nfs/dbraw/zinc/33/01/67/205330167.db2.gz JSWCOHHASISORB-UHFFFAOYSA-N 0 0 394.906 4.377 40 0 GIABRN CCn1ccnc1CN1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072350290 205330181 /nfs/dbraw/zinc/33/01/81/205330181.db2.gz BQMWTLCDQUGFEF-IBGZPJMESA-N 0 0 378.495 4.408 40 0 GIABRN Cc1ncsc1C(=O)N1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000072349844 205330629 /nfs/dbraw/zinc/33/06/29/205330629.db2.gz YPBYYXBWHYLFJA-GOSISDBHSA-N 0 0 377.513 4.457 40 0 GIABRN O=C(Cc1ccccc1)N1CCC[C@H](c2cccc(-c3ccc(CO)cc3)n2)C1 ZINC000072348994 205330665 /nfs/dbraw/zinc/33/06/65/205330665.db2.gz JOCPBEQZMBMOHI-QFIPXVFZSA-N 0 0 386.495 4.190 40 0 GIABRN O=C(Cc1ccncc1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072349443 205330679 /nfs/dbraw/zinc/33/06/79/205330679.db2.gz YXMGUOZXOQBWDQ-HXUWFJFHSA-N 0 0 389.474 4.155 40 0 GIABRN O=C(c1cnccn1)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072349201 205330701 /nfs/dbraw/zinc/33/07/01/205330701.db2.gz KRIUIBLAFXDDMW-INIZCTEOSA-N 0 0 378.863 4.212 40 0 GIABRN O=C(c1ccncc1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072349164 205330734 /nfs/dbraw/zinc/33/07/34/205330734.db2.gz SYZFPTZGRKCWDB-IBGZPJMESA-N 0 0 375.447 4.226 40 0 GIABRN Cc1n[nH]cc1C(=O)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072349753 205330942 /nfs/dbraw/zinc/33/09/42/205330942.db2.gz UIFLOACTPGYONE-MRXNPFEDSA-N 0 0 380.879 4.453 40 0 GIABRN O=C(c1cccnc1)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072349117 205330963 /nfs/dbraw/zinc/33/09/63/205330963.db2.gz LVPNFIYRJWGAGG-IBGZPJMESA-N 0 0 375.447 4.226 40 0 GIABRN O=C(COc1ccccc1)N1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000072349065 205331294 /nfs/dbraw/zinc/33/12/94/205331294.db2.gz HIJNUIVPTYPECM-NRFANRHFSA-N 0 0 386.495 4.457 40 0 GIABRN CCc1ncc(CN2CCC[C@H]2c2nc(N)ncc2-c2ccc(Cl)cc2)cn1 ZINC000072354927 205332092 /nfs/dbraw/zinc/33/20/92/205332092.db2.gz HAWHEOWQMZIXKE-SFHVURJKSA-N 0 0 394.910 4.069 40 0 GIABRN Cc1nc2cc(C(=O)N3CCC[C@H]3c3ccnc(-c4ccccc4)n3)ccc2[nH]1 ZINC000072354375 205332201 /nfs/dbraw/zinc/33/22/01/205332201.db2.gz UELLDZLPGWKZOC-NRFANRHFSA-N 0 0 383.455 4.306 40 0 GIABRN Cc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)c3ccc(N)cc3)C2)n1 ZINC000072350698 205332462 /nfs/dbraw/zinc/33/24/62/205332462.db2.gz DHNMEZPPBXGDCL-INIZCTEOSA-N 0 0 378.501 4.116 40 0 GIABRN O=C(c1ccncc1)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358727 205333478 /nfs/dbraw/zinc/33/34/78/205333478.db2.gz WWMDMLAQUAGRER-QGZVFWFLSA-N 0 0 378.863 4.212 40 0 GIABRN Cc1ncsc1C(=O)N1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 ZINC000072359030 205333743 /nfs/dbraw/zinc/33/37/43/205333743.db2.gz OFQVQENNAOEAEF-CQSZACIVSA-N 0 0 382.464 4.067 40 0 GIABRN O=C(Cc1ccncc1)N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072357925 205334562 /nfs/dbraw/zinc/33/45/62/205334562.db2.gz UUSILRZEHNNMJV-JOCHJYFZSA-N 0 0 375.447 4.113 40 0 GIABRN O=C(c1ccc(F)cc1)N1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072358480 205334756 /nfs/dbraw/zinc/33/47/56/205334756.db2.gz XNKTUIUYFOQGDD-KRWDZBQOSA-N 0 0 379.410 4.442 40 0 GIABRN O=C(COc1ccccc1)N1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072358669 205334918 /nfs/dbraw/zinc/33/49/18/205334918.db2.gz IQKIKBWPNMVIRU-SFHVURJKSA-N 0 0 391.446 4.068 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC(c3nc(C)cc(Oc4ccccc4)n3)CC2)o1 ZINC000072362711 205335779 /nfs/dbraw/zinc/33/57/79/205335779.db2.gz XSRMLCKNLWQHQJ-UHFFFAOYSA-N 0 0 392.459 4.202 40 0 GIABRN COc1ccccc1Oc1nccnc1C1CCN(C(=O)C2CCCC2)CC1 ZINC000072362464 205335817 /nfs/dbraw/zinc/33/58/17/205335817.db2.gz IQUSAXSPPCVRJE-UHFFFAOYSA-N 0 0 381.476 4.174 40 0 GIABRN Cc1nc(Cn2nnc3ccccc32)cc(N[C@@H](C)CCc2ccc(F)cc2)n1 ZINC000072373295 205337826 /nfs/dbraw/zinc/33/78/26/205337826.db2.gz PLYBMMUBWBVGGQ-HNNXBMFYSA-N 0 0 390.466 4.150 40 0 GIABRN Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2C(=O)c2ccccc2)n1 ZINC000072376789 205338028 /nfs/dbraw/zinc/33/80/28/205338028.db2.gz FBSDRLMAVILSNP-LJQANCHMSA-N 0 0 376.435 4.232 40 0 GIABRN CCc1nc(C)c(C(=O)N2CCC[C@@H]2c2cccc(Nc3cccc(C)n3)n2)o1 ZINC000072375879 205338322 /nfs/dbraw/zinc/33/83/22/205338322.db2.gz RMOVDWSYUQRAIK-QGZVFWFLSA-N 0 0 391.475 4.365 40 0 GIABRN CC1=C(C)C[C@H](C(=O)N2CCC(c3ccc(Nc4cnccn4)cn3)CC2)CC1 ZINC000072374366 205338395 /nfs/dbraw/zinc/33/83/95/205338395.db2.gz RSMFCRKFMSOWHB-LJQANCHMSA-N 0 0 391.519 4.458 40 0 GIABRN Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCCN2C(=O)c2ccccc2)n1 ZINC000072376794 205338747 /nfs/dbraw/zinc/33/87/47/205338747.db2.gz ISFRIDHNLUPMFF-IBGZPJMESA-N 0 0 376.435 4.232 40 0 GIABRN Cc1nccn1-c1cccc([C@@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 ZINC000072378897 205338831 /nfs/dbraw/zinc/33/88/31/205338831.db2.gz QRFDJOPEAFHMRN-GOSISDBHSA-N 0 0 399.498 4.006 40 0 GIABRN CC(C)c1nccn1-c1cccc([C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 ZINC000072378890 205340001 /nfs/dbraw/zinc/34/00/01/205340001.db2.gz BCXOVXGQIUOICC-HXUWFJFHSA-N 0 0 388.515 4.339 40 0 GIABRN c1csc([N-]c2nccc([C@H]3CCC[N@H+]3Cc3ccc4[nH]ccc4c3)n2)n1 ZINC000072378111 205340298 /nfs/dbraw/zinc/34/02/98/205340298.db2.gz HFOQQJLOXARVLI-GOSISDBHSA-N 0 0 376.489 4.495 40 0 GIABRN CC(C)(C)OC(=O)N1CCC(C(=O)c2cc(Br)ccc2F)CC1 ZINC000079036080 205379467 /nfs/dbraw/zinc/37/94/67/205379467.db2.gz HYCCBTCAUAYFHF-UHFFFAOYSA-N 0 0 386.261 4.418 40 0 GIABRN COC(=O)c1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)c(Br)c1 ZINC000098210748 205602648 /nfs/dbraw/zinc/60/26/48/205602648.db2.gz MTJXMWYQYZAIFP-SECBINFHSA-N 0 0 397.065 4.039 40 0 GIABRN COc1ccc(C)cc1NC(=O)CSc1nnc2c(C)cc3ccccc3n12 ZINC000001223208 205706607 /nfs/dbraw/zinc/70/66/07/205706607.db2.gz DIISWDYFLLOZFQ-UHFFFAOYSA-N 0 0 392.484 4.239 40 0 GIABRN COc1ccc(-n2c(SCC(=O)OC(C)C)nnc2C2CCCCC2)cc1 ZINC000000876393 205699476 /nfs/dbraw/zinc/69/94/76/205699476.db2.gz CORFKMGIEGCFKY-UHFFFAOYSA-N 0 0 389.521 4.367 40 0 GIABRN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 ZINC000000875830 205700004 /nfs/dbraw/zinc/70/00/04/205700004.db2.gz GCCJTIUFPGOJMW-STQMWFEESA-N 0 0 395.912 4.184 40 0 GIABRN COc1cc(-c2nnn(Cc3ccc(C)cc3)n2)ccc1OCc1ccccc1 ZINC000000924209 205703231 /nfs/dbraw/zinc/70/32/31/205703231.db2.gz CJFFFTABPSTXNK-UHFFFAOYSA-N 0 0 386.455 4.284 40 0 GIABRN COc1ccc2cc3c(N)c(C(=O)Nc4nc(C)c(C)s4)sc3nc2c1 ZINC000004848806 205751323 /nfs/dbraw/zinc/75/13/23/205751323.db2.gz OWNXNBBXHVHGOQ-UHFFFAOYSA-N 0 0 384.486 4.366 40 0 GIABRN CCc1cc2ccccc2nc1SCC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000004849222 205751640 /nfs/dbraw/zinc/75/16/40/205751640.db2.gz RWKIWKAQOLAMDE-UHFFFAOYSA-N 0 0 379.485 4.486 40 0 GIABRN COc1ccccc1OCc1ccc(C(=O)OCC(=O)c2ccccc2)cc1 ZINC000000862382 205804134 /nfs/dbraw/zinc/80/41/34/205804134.db2.gz BITJMHPHNMLYGP-UHFFFAOYSA-N 0 0 376.408 4.314 40 0 GIABRN O=C(c1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(C3CCCCC3)ccc12 ZINC000008297940 205793509 /nfs/dbraw/zinc/79/35/09/205793509.db2.gz YSHBNPJXNGRVBI-FXAWDEMLSA-N 0 0 376.500 4.156 40 0 biogenic,in-vitro GIABRN Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1NS(C)(=O)=O ZINC000010315172 205850336 /nfs/dbraw/zinc/85/03/36/205850336.db2.gz OHFWUVKYSBQWOI-UHFFFAOYSA-N 0 0 380.469 4.286 40 0 GIABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3F)o2)cc1C ZINC000216031471 205929775 /nfs/dbraw/zinc/92/97/75/205929775.db2.gz YUPQUXDLNSRCJM-UHFFFAOYSA-N 0 0 387.436 4.135 40 0 GIABRN CCOc1ccc(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000216474021 205934371 /nfs/dbraw/zinc/93/43/71/205934371.db2.gz VJAMPGDCCACFTO-UHFFFAOYSA-N 0 0 383.469 4.356 40 0 GIABRN CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2Cl)cc1OCC ZINC000219052712 205953518 /nfs/dbraw/zinc/95/35/18/205953518.db2.gz SDTRUNTZNLWUKQ-CQSZACIVSA-N 0 0 377.868 4.221 40 0 GIABRN COc1ccc(CN(C)C(=O)CCCN2c3cccc4cccc(c34)C2=O)cc1 ZINC000219449679 205956320 /nfs/dbraw/zinc/95/63/20/205956320.db2.gz MMYOMJVNLIKCIY-UHFFFAOYSA-N 0 0 388.467 4.247 40 0 GIABRN Cc1ccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c(C)c1 ZINC000219538681 205957963 /nfs/dbraw/zinc/95/79/63/205957963.db2.gz SZCFTTZHEOLKMK-HNNXBMFYSA-N 0 0 399.878 4.433 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccc(C)c(C)c1 ZINC000219519299 205958245 /nfs/dbraw/zinc/95/82/45/205958245.db2.gz HILBJFXSBSRRMI-JXFKEZNVSA-N 0 0 383.488 4.498 40 0 GIABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCC ZINC000223406198 206000041 /nfs/dbraw/zinc/00/00/41/206000041.db2.gz ALRKWWLNCFIFQA-FQEVSTJZSA-N 0 0 386.923 4.216 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1Cc1cccnc1 ZINC000223448391 206000096 /nfs/dbraw/zinc/00/00/96/206000096.db2.gz QEMSPYDLTPPXRB-SJORKVTESA-N 0 0 386.933 4.364 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000222921400 205989063 /nfs/dbraw/zinc/98/90/63/205989063.db2.gz MTMSJWDCGKKOOG-KRWDZBQOSA-N 0 0 386.923 4.053 40 0 GIABRN CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](CC)C(=O)NC)cc1 ZINC000223097785 205991733 /nfs/dbraw/zinc/99/17/33/205991733.db2.gz ANWYLFJNUXPQRK-QFIPXVFZSA-N 0 0 380.532 4.043 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 ZINC000223096982 205992534 /nfs/dbraw/zinc/99/25/34/205992534.db2.gz UFWFCNJOOXDJKL-FQEVSTJZSA-N 0 0 380.532 4.261 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000223241471 205994612 /nfs/dbraw/zinc/99/46/12/205994612.db2.gz XIWUQYFBTCRAHF-GOSISDBHSA-N 0 0 384.495 4.092 40 0 GIABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1(c2ccccc2)CCOCC1 ZINC000223249606 205994732 /nfs/dbraw/zinc/99/47/32/205994732.db2.gz NXLNVANNEAGBBE-FQEVSTJZSA-N 0 0 379.500 4.462 40 0 GIABRN CCC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223424608 206000447 /nfs/dbraw/zinc/00/04/47/206000447.db2.gz SQZOBHNLZCFPPA-DENIHFKCSA-N 0 0 380.532 4.260 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C ZINC000222504788 205981051 /nfs/dbraw/zinc/98/10/51/205981051.db2.gz JOOFAHSHVQRDPG-JOCHJYFZSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1 ZINC000222502249 205981101 /nfs/dbraw/zinc/98/11/01/205981101.db2.gz CAAQWOADXXTCTH-JOCHJYFZSA-N 0 0 396.531 4.014 40 0 GIABRN Cc1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)n1-c1cccnc1 ZINC000222601574 205981441 /nfs/dbraw/zinc/98/14/41/205981441.db2.gz HFRFIJNDMMCRIB-YSSFQJQWSA-N 0 0 375.501 4.165 40 0 GIABRN CCOc1ccc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1OC ZINC000222655853 205982702 /nfs/dbraw/zinc/98/27/02/205982702.db2.gz UBCUKUCNNCZUGC-YSGRDPCXSA-N 0 0 383.517 4.468 40 0 GIABRN CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000222710927 205984634 /nfs/dbraw/zinc/98/46/34/205984634.db2.gz JNVQQJJNBXVOJN-BBRMVZONSA-N 0 0 375.852 4.146 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl ZINC000223632163 206002243 /nfs/dbraw/zinc/00/22/43/206002243.db2.gz UBNWSPRMJZEOMG-KRWDZBQOSA-N 0 0 386.923 4.134 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(C)c1 ZINC000223635007 206002948 /nfs/dbraw/zinc/00/29/48/206002948.db2.gz PTPYLMHPBIWEBT-LJQANCHMSA-N 0 0 398.572 4.090 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2cccc(OCCc3ccccc3)c2)cc1 ZINC000223646555 206004779 /nfs/dbraw/zinc/00/47/79/206004779.db2.gz WAYSYVNXOMZUIQ-UHFFFAOYSA-N 0 0 383.469 4.118 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccccc2F)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223807490 206005387 /nfs/dbraw/zinc/00/53/87/206005387.db2.gz QWYBHXPVVDPEER-GOSISDBHSA-N 0 0 396.506 4.153 40 0 GIABRN CC(C)c1ccccc1OCCNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000223768848 206005525 /nfs/dbraw/zinc/00/55/25/206005525.db2.gz IFQOZRGKRQRRLN-UHFFFAOYSA-N 0 0 388.316 4.474 40 0 GIABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl ZINC000223755235 206005659 /nfs/dbraw/zinc/00/56/59/206005659.db2.gz RTFZZUVREVINLF-KRWDZBQOSA-N 0 0 398.934 4.359 40 0 GIABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)[nH]c2C)cc1 ZINC000223748229 206006202 /nfs/dbraw/zinc/00/62/02/206006202.db2.gz VMXLOZHXJITYKR-UXHICEINSA-N 0 0 378.501 4.212 40 0 GIABRN O=C(OCc1ccc(Br)cc1)c1snnc1-c1ccccc1 ZINC000223833993 206006984 /nfs/dbraw/zinc/00/69/84/206006984.db2.gz JBBXQCOSBAAYQQ-UHFFFAOYSA-N 0 0 375.247 4.325 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCc2ccccc21 ZINC000223855173 206007340 /nfs/dbraw/zinc/00/73/40/206007340.db2.gz WSLAEVDFQWBPLH-XMMPIXPASA-N 0 0 392.543 4.292 40 0 GIABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)cc1 ZINC000223838797 206007419 /nfs/dbraw/zinc/00/74/19/206007419.db2.gz PNOMUCFMTPCWBK-UXHICEINSA-N 0 0 378.501 4.294 40 0 GIABRN CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C ZINC000223853544 206007595 /nfs/dbraw/zinc/00/75/95/206007595.db2.gz MVJURAIEJJPNCB-LEWJYISDSA-N 0 0 392.528 4.403 40 0 GIABRN CC(C)c1ccccc1OCCNC(=O)Cc1cccc(Br)c1 ZINC000223837736 206007859 /nfs/dbraw/zinc/00/78/59/206007859.db2.gz DTZHKFPJAHBXQU-UHFFFAOYSA-N 0 0 376.294 4.310 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC3=CCCCC3)cc2)cc1 ZINC000223929834 206008506 /nfs/dbraw/zinc/00/85/06/206008506.db2.gz DCNRSPFDRFJKTJ-UHFFFAOYSA-N 0 0 384.501 4.026 40 0 GIABRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)o1 ZINC000223882287 206008768 /nfs/dbraw/zinc/00/87/68/206008768.db2.gz CDWNWOLZYGXWRM-WOJBJXKFSA-N 0 0 378.501 4.226 40 0 GIABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC2CCCCCC2)c1 ZINC000223937633 206009342 /nfs/dbraw/zinc/00/93/42/206009342.db2.gz XQEGRWVAHOZMNB-UHFFFAOYSA-N 0 0 386.517 4.248 40 0 GIABRN CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)c1ccc(C)c(C)c1 ZINC000223904622 206009352 /nfs/dbraw/zinc/00/93/52/206009352.db2.gz LHXISOKSBAEKHB-SFHVURJKSA-N 0 0 395.908 4.173 40 0 GIABRN CCCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000224006815 206010567 /nfs/dbraw/zinc/01/05/67/206010567.db2.gz IMJXBQJOZNGSJL-UHFFFAOYSA-N 0 0 394.924 4.369 40 0 GIABRN COc1ccc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1Cl ZINC000223981575 206010767 /nfs/dbraw/zinc/01/07/67/206010767.db2.gz SQQFOKUGYOCUSG-UHFFFAOYSA-N 0 0 397.924 4.003 40 0 GIABRN CCC(CC)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000224008506 206010891 /nfs/dbraw/zinc/01/08/91/206010891.db2.gz KCZZXVSBLIQPFT-UHFFFAOYSA-N 0 0 394.924 4.368 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCOc2cccc(C)c2C)cc1C(C)C ZINC000223969459 206010956 /nfs/dbraw/zinc/01/09/56/206010956.db2.gz QGCZUWZLNHVKTD-UHFFFAOYSA-N 0 0 391.533 4.101 40 0 GIABRN Cc1ccc(SCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224076424 206011320 /nfs/dbraw/zinc/01/13/20/206011320.db2.gz RXRRLZULZXUXGY-LJQANCHMSA-N 0 0 398.572 4.277 40 0 GIABRN Cc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 ZINC000224073863 206011461 /nfs/dbraw/zinc/01/14/61/206011461.db2.gz AJTRQBSBXGLDAW-UHFFFAOYSA-N 0 0 394.496 4.068 40 0 GIABRN CCC[C@@H](C)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224053576 206011704 /nfs/dbraw/zinc/01/17/04/206011704.db2.gz DWFLUVWNDDVJOD-CQSZACIVSA-N 0 0 394.924 4.368 40 0 GIABRN C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCc1ccccc1 ZINC000224079954 206011743 /nfs/dbraw/zinc/01/17/43/206011743.db2.gz YLQNHYRXVZPMLE-HXUWFJFHSA-N 0 0 392.543 4.138 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000224087153 206012024 /nfs/dbraw/zinc/01/20/24/206012024.db2.gz WOVMDVJAWAXKDM-QGZVFWFLSA-N 0 0 384.495 4.009 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224142812 206012886 /nfs/dbraw/zinc/01/28/86/206012886.db2.gz AFGSXFIREMIZMX-FQEVSTJZSA-N 0 0 380.532 4.035 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 ZINC000224125572 206013102 /nfs/dbraw/zinc/01/31/02/206013102.db2.gz NZYPUNXBAMISTE-OAQYLSRUSA-N 0 0 398.572 4.253 40 0 GIABRN Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1 ZINC000224117479 206013123 /nfs/dbraw/zinc/01/31/23/206013123.db2.gz LTRFYHDWTXMTDU-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3C)c2)cc1 ZINC000224113953 206014070 /nfs/dbraw/zinc/01/40/70/206014070.db2.gz CSWBHGWLHJXKIP-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCOc1ccccc1Cl ZINC000224177419 206014594 /nfs/dbraw/zinc/01/45/94/206014594.db2.gz MGJPZPBNRSNUCJ-UHFFFAOYSA-N 0 0 394.707 4.145 40 0 GIABRN CC(C)(C)c1ccc(OCCNS(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000224172671 206014640 /nfs/dbraw/zinc/01/46/40/206014640.db2.gz WAMHWQMUKVHBSB-UHFFFAOYSA-N 0 0 381.925 4.136 40 0 GIABRN CCCC[C@H](CC)CNC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000224149979 206014971 /nfs/dbraw/zinc/01/49/71/206014971.db2.gz SQIQONGHXWEZLX-IBGZPJMESA-N 0 0 396.597 4.182 40 0 GIABRN Cc1cc(C(=O)Nc2ccccc2)ccc1N(C)S(=O)(=O)c1ccccc1 ZINC000224188260 206014982 /nfs/dbraw/zinc/01/49/82/206014982.db2.gz CZDRMEINSBEISV-UHFFFAOYSA-N 0 0 380.469 4.072 40 0 GIABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1C ZINC000224154446 206015114 /nfs/dbraw/zinc/01/51/14/206015114.db2.gz CDNZJINVOWDUQW-QHCPKHFHSA-N 0 0 392.543 4.404 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1 ZINC000224182282 206015170 /nfs/dbraw/zinc/01/51/70/206015170.db2.gz OZRJNWDSFUUEMO-NRFANRHFSA-N 0 0 398.572 4.172 40 0 GIABRN COc1ccc(CCC(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1OC ZINC000224179128 206015456 /nfs/dbraw/zinc/01/54/56/206015456.db2.gz SAWVFAAHOJSOPG-UHFFFAOYSA-N 0 0 383.473 4.102 40 0 GIABRN CCC(CC)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000224213504 206015825 /nfs/dbraw/zinc/01/58/25/206015825.db2.gz RTGCRCZGRYUROQ-UHFFFAOYSA-N 0 0 388.533 4.047 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224196068 206015966 /nfs/dbraw/zinc/01/59/66/206015966.db2.gz YFRBNTBAJRWPQB-NRFANRHFSA-N 0 0 394.559 4.344 40 0 GIABRN CC(C)c1ccc(OCC(=O)NCCOc2ccccc2)c(Br)c1 ZINC000224249262 206016176 /nfs/dbraw/zinc/01/61/76/206016176.db2.gz WPAOEKGNAWZXEV-UHFFFAOYSA-N 0 0 392.293 4.147 40 0 GIABRN O=S(=O)(Cc1c(Cl)cccc1Cl)NCCc1ccc(Cl)cc1 ZINC000224212731 206016240 /nfs/dbraw/zinc/01/62/40/206016240.db2.gz OPUPJTRGISFTBO-UHFFFAOYSA-N 0 0 378.708 4.309 40 0 GIABRN COc1cccc(OCc2cc(C(=O)NCc3ccccc3)ccc2OC)c1 ZINC000224250087 206016724 /nfs/dbraw/zinc/01/67/24/206016724.db2.gz HYCGUICFWWFBGR-UHFFFAOYSA-N 0 0 377.440 4.213 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 ZINC000224227006 206016753 /nfs/dbraw/zinc/01/67/53/206016753.db2.gz WOGJHNIGKAFAOD-OAQYLSRUSA-N 0 0 398.572 4.421 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 ZINC000224260576 206016888 /nfs/dbraw/zinc/01/68/88/206016888.db2.gz LARDXIBSNYOOIT-HSZRJFAPSA-N 0 0 394.559 4.434 40 0 GIABRN CSc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1NC(=O)C(C)C ZINC000224254967 206016900 /nfs/dbraw/zinc/01/69/00/206016900.db2.gz YLGABEABXJAZRJ-CQSZACIVSA-N 0 0 392.546 4.043 40 0 GIABRN COc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1cccc2ccccc21 ZINC000224299691 206018045 /nfs/dbraw/zinc/01/80/45/206018045.db2.gz FVWVITPOYYBOPP-HXUWFJFHSA-N 0 0 391.467 4.336 40 0 GIABRN CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1 ZINC000223455844 206001056 /nfs/dbraw/zinc/00/10/56/206001056.db2.gz BSQHOSNKHBMXKZ-UXHICEINSA-N 0 0 391.544 4.206 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1 ZINC000225072517 206035378 /nfs/dbraw/zinc/03/53/78/206035378.db2.gz HBQIILVPIMVDNG-NRFANRHFSA-N 0 0 398.572 4.253 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1 ZINC000225089331 206035414 /nfs/dbraw/zinc/03/54/14/206035414.db2.gz UNCGOYYSKRKBHJ-UXHICEINSA-N 0 0 396.531 4.014 40 0 GIABRN CC(C)Sc1nnc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)s1 ZINC000224359423 206019002 /nfs/dbraw/zinc/01/90/02/206019002.db2.gz ALIOOHPCELHJKF-LBPRGKRZSA-N 0 0 377.535 4.323 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000224547490 206021598 /nfs/dbraw/zinc/02/15/98/206021598.db2.gz GIZIOXSVMQAPHX-QFIPXVFZSA-N 0 0 380.532 4.117 40 0 GIABRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)[nH]c2C)c1 ZINC000224521078 206022016 /nfs/dbraw/zinc/02/20/16/206022016.db2.gz ADLJUFXOIMSTDP-WOJBJXKFSA-N 0 0 378.501 4.212 40 0 GIABRN O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000224528734 206022392 /nfs/dbraw/zinc/02/23/92/206022392.db2.gz QFOPFPSXSDDPIP-XNTDXEJSSA-N 0 0 396.443 4.278 40 0 GIABRN CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1 ZINC000224593270 206023273 /nfs/dbraw/zinc/02/32/73/206023273.db2.gz AODLFDYTFUIXRH-WOJBJXKFSA-N 0 0 378.501 4.347 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000224554543 206023439 /nfs/dbraw/zinc/02/34/39/206023439.db2.gz QMHJTJGXLBEDGF-HSZRJFAPSA-N 0 0 394.559 4.426 40 0 GIABRN CCc1ccc(OCCNC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000225074984 206035692 /nfs/dbraw/zinc/03/56/92/206035692.db2.gz QZINFDRWCBLOEA-UHFFFAOYSA-N 0 0 382.685 4.474 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1cccc(C)c1 ZINC000224664812 206025226 /nfs/dbraw/zinc/02/52/26/206025226.db2.gz HRBZSRGRVASLIA-LJQANCHMSA-N 0 0 398.572 4.172 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSc1ccccc1 ZINC000224633275 206025779 /nfs/dbraw/zinc/02/57/79/206025779.db2.gz SQYUXUPCFQNUBL-SFHVURJKSA-N 0 0 384.545 4.112 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 ZINC000224631200 206025968 /nfs/dbraw/zinc/02/59/68/206025968.db2.gz VJIIJJXFAUVRFE-JOCHJYFZSA-N 0 0 380.532 4.117 40 0 GIABRN Cc1ccccc1CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC(C)C ZINC000224644041 206026037 /nfs/dbraw/zinc/02/60/37/206026037.db2.gz MNSHJQDFKABIFU-QGZVFWFLSA-N 0 0 386.923 4.133 40 0 GIABRN CCOc1ccc(C(=O)N[C@H](C)COC)cc1COc1cc(C)cc(C)c1C ZINC000224616307 206026111 /nfs/dbraw/zinc/02/61/11/206026111.db2.gz LMKCIJVRNRTHSX-QGZVFWFLSA-N 0 0 385.504 4.354 40 0 GIABRN CCOc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1 ZINC000225091406 206035760 /nfs/dbraw/zinc/03/57/60/206035760.db2.gz ZBFUQEZRVSSYFZ-HKWRFOASSA-N 0 0 390.439 4.396 40 0 GIABRN Cc1ccccc1CN(C(=O)Cc1ccccc1)[C@H](C)C(=O)NC1CCCCC1 ZINC000224678172 206026440 /nfs/dbraw/zinc/02/64/40/206026440.db2.gz DGSBSVMWRCGGKO-HXUWFJFHSA-N 0 0 392.543 4.404 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C ZINC000224769922 206027134 /nfs/dbraw/zinc/02/71/34/206027134.db2.gz BCACPJBVTITXMO-HXUWFJFHSA-N 0 0 380.532 4.098 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000224775821 206027242 /nfs/dbraw/zinc/02/72/42/206027242.db2.gz PELYZRWIXUIFKC-KRWDZBQOSA-N 0 0 386.923 4.134 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000224765980 206027891 /nfs/dbraw/zinc/02/78/91/206027891.db2.gz QSMCEYTZDHUCNP-FQEVSTJZSA-N 0 0 380.532 4.098 40 0 GIABRN O=C(NCCSCc1ccccc1Cl)C1(c2ccccc2)CCOCC1 ZINC000224876248 206028491 /nfs/dbraw/zinc/02/84/91/206028491.db2.gz BLADMZFOUFJYCA-UHFFFAOYSA-N 0 0 389.948 4.438 40 0 GIABRN COc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccc(F)cc3)o2)c(OC)c1 ZINC000224873619 206028827 /nfs/dbraw/zinc/02/88/27/206028827.db2.gz BBSSZSFZNYLEEP-CQSZACIVSA-N 0 0 398.434 4.308 40 0 GIABRN CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000224813316 206029616 /nfs/dbraw/zinc/02/96/16/206029616.db2.gz CIOAGUAJBGBKGP-UHFFFAOYSA-N 0 0 390.288 4.226 40 0 GIABRN O=C(CCc1ncc(-c2ccc(Br)cc2)o1)NC1CCCCC1 ZINC000224874420 206029638 /nfs/dbraw/zinc/02/96/38/206029638.db2.gz JWTCMCWBILKPIG-UHFFFAOYSA-N 0 0 377.282 4.486 40 0 GIABRN CC1CCN(C(=O)CCc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000224879399 206029645 /nfs/dbraw/zinc/02/96/45/206029645.db2.gz AKXCOCNEDZFYHO-UHFFFAOYSA-N 0 0 377.282 4.295 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)CCc1ccc(OC)c(C)c1 ZINC000224891136 206030829 /nfs/dbraw/zinc/03/08/29/206030829.db2.gz BYIKDBAPEXAZLB-UHFFFAOYSA-N 0 0 385.489 4.096 40 0 GIABRN O=C(CCc1ncc(-c2cccc(Br)c2)o1)NCCc1ccccc1 ZINC000224883901 206031399 /nfs/dbraw/zinc/03/13/99/206031399.db2.gz BQVBUBVFHTVJLA-UHFFFAOYSA-N 0 0 399.288 4.396 40 0 GIABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000225004972 206031825 /nfs/dbraw/zinc/03/18/25/206031825.db2.gz BTCICVDZXMEXHP-JOCHJYFZSA-N 0 0 390.483 4.473 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1 ZINC000224975140 206031910 /nfs/dbraw/zinc/03/19/10/206031910.db2.gz DNGSUGITSKBGQL-OALUTQOASA-N 0 0 398.572 4.252 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 ZINC000224974789 206032493 /nfs/dbraw/zinc/03/24/93/206032493.db2.gz BACUZBFKPVUFHW-OALUTQOASA-N 0 0 398.572 4.419 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1C ZINC000225010034 206032733 /nfs/dbraw/zinc/03/27/33/206032733.db2.gz YTFLHKQLQQBMFF-WOJBJXKFSA-N 0 0 396.531 4.014 40 0 GIABRN CCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224986425 206032860 /nfs/dbraw/zinc/03/28/60/206032860.db2.gz LSEUNHWBGLIFHB-JOCHJYFZSA-N 0 0 396.506 4.234 40 0 GIABRN COc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)c1 ZINC000225026657 206033456 /nfs/dbraw/zinc/03/34/56/206033456.db2.gz IFXODAXGHZYRFO-ZHZULCJRSA-N 0 0 376.412 4.006 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl ZINC000225010751 206034001 /nfs/dbraw/zinc/03/40/01/206034001.db2.gz LSTHHPFYHDGHRC-IAGOWNOFSA-N 0 0 386.923 4.215 40 0 GIABRN CCOC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225042916 206034266 /nfs/dbraw/zinc/03/42/66/206034266.db2.gz CFIOWGIPLFVYKB-UHFFFAOYSA-N 0 0 397.496 4.215 40 0 GIABRN COc1cccc(C(=O)NCCSCc2c(F)cccc2Cl)c1OC ZINC000225043704 206034281 /nfs/dbraw/zinc/03/42/81/206034281.db2.gz VWKBFVRZYSLDGE-UHFFFAOYSA-N 0 0 383.872 4.160 40 0 GIABRN Cc1ccc(C(=O)NCc2ccc(Cl)cc2)c(I)c1 ZINC000225012140 206034387 /nfs/dbraw/zinc/03/43/87/206034387.db2.gz PFVLHWDGEHQABC-UHFFFAOYSA-N 0 0 385.632 4.183 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000225010930 206034430 /nfs/dbraw/zinc/03/44/30/206034430.db2.gz PPQDMRKUEHBJDG-IAGOWNOFSA-N 0 0 386.923 4.215 40 0 GIABRN COc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c1 ZINC000225046324 206034499 /nfs/dbraw/zinc/03/44/99/206034499.db2.gz IQMHNYKFDJSOKH-RGEXLXHISA-N 0 0 378.453 4.166 40 0 GIABRN COc1ccccc1OC[C@@H](C)NC(=O)CSCc1ccc(Cl)cc1F ZINC000225100471 206036883 /nfs/dbraw/zinc/03/68/83/206036883.db2.gz SNRKJXMACJZINI-CYBMUJFWSA-N 0 0 397.899 4.305 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1 ZINC000225128700 206036910 /nfs/dbraw/zinc/03/69/10/206036910.db2.gz ZHMNZOOFTNPSGY-WOJBJXKFSA-N 0 0 396.531 4.014 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)ccc1C ZINC000225094838 206037056 /nfs/dbraw/zinc/03/70/56/206037056.db2.gz CUFDUGMIJYXGBO-NRFANRHFSA-N 0 0 396.531 4.016 40 0 GIABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCC2=CCCCC2)c1 ZINC000225102619 206037505 /nfs/dbraw/zinc/03/75/05/206037505.db2.gz KFAYIOCQUUGFOZ-ZHZULCJRSA-N 0 0 380.513 4.444 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C ZINC000225093252 206037572 /nfs/dbraw/zinc/03/75/72/206037572.db2.gz YHZFVZBBJHGLRU-WOJBJXKFSA-N 0 0 396.531 4.014 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 ZINC000225132871 206039209 /nfs/dbraw/zinc/03/92/09/206039209.db2.gz MKPBTAMVSXZYGI-HSZRJFAPSA-N 0 0 394.559 4.488 40 0 GIABRN CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225531454 206054303 /nfs/dbraw/zinc/05/43/03/206054303.db2.gz UABRYOJCHBUUQX-HXUWFJFHSA-N 0 0 394.559 4.432 40 0 GIABRN CC(C)n1c2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc2sc1=O ZINC000225154440 206039516 /nfs/dbraw/zinc/03/95/16/206039516.db2.gz SKSKPTOQTCIOKY-UHFFFAOYSA-N 0 0 396.921 4.239 40 0 GIABRN CC(C)n1c(=O)sc2cc(NC(=O)COc3cccc(Cl)c3)ccc21 ZINC000225176099 206040061 /nfs/dbraw/zinc/04/00/61/206040061.db2.gz OBDWXNPSCRHLFW-UHFFFAOYSA-N 0 0 376.865 4.315 40 0 GIABRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 ZINC000225177840 206040302 /nfs/dbraw/zinc/04/03/02/206040302.db2.gz BOFDFYHEVSZHCB-UHFFFAOYSA-N 0 0 376.503 4.062 40 0 GIABRN CC(C)n1c(=O)sc2cc(NC(=O)c3ccc(Cn4ccnc4)cc3)ccc21 ZINC000225180433 206040333 /nfs/dbraw/zinc/04/03/33/206040333.db2.gz LXGJQVXMEQHEOT-UHFFFAOYSA-N 0 0 392.484 4.141 40 0 GIABRN COc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)c1 ZINC000225268954 206042334 /nfs/dbraw/zinc/04/23/34/206042334.db2.gz BEOIFAHDCMUBFT-ZHZULCJRSA-N 0 0 376.412 4.006 40 0 GIABRN COc1ccc(NC(=S)NCCSCc2ccccc2C)c(OC)c1 ZINC000225360508 206043692 /nfs/dbraw/zinc/04/36/92/206043692.db2.gz PZHGOMGPSNNSGW-UHFFFAOYSA-N 0 0 376.547 4.232 40 0 GIABRN O=C(NCC1=N[C@H](c2ccccc2)c2ccccc2-n2cccc21)c1ccco1 ZINC000225375990 206043866 /nfs/dbraw/zinc/04/38/66/206043866.db2.gz JEHWCFLCLZQONQ-HSZRJFAPSA-N 0 0 381.435 4.392 40 0 GIABRN COc1cccnc1NC(=S)NCCSCc1c(F)cccc1Cl ZINC000225370160 206044460 /nfs/dbraw/zinc/04/44/60/206044460.db2.gz SIZQFPWPAMQHHO-UHFFFAOYSA-N 0 0 385.917 4.103 40 0 GIABRN O=C(c1ccc2c(c1)OCC1(CC1)CO2)N1CCC(Cc2ccccc2)CC1 ZINC000225366702 206044528 /nfs/dbraw/zinc/04/45/28/206044528.db2.gz WHDWPDIXIBHWDA-UHFFFAOYSA-N 0 0 377.484 4.333 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)NCCSCc2cccc(C)c2)c1 ZINC000225338373 206044573 /nfs/dbraw/zinc/04/45/73/206044573.db2.gz BRCFZOCRGJCROG-UHFFFAOYSA-N 0 0 388.558 4.392 40 0 GIABRN O=C(CCc1ccc(Cl)cc1Cl)NCCCN1CCc2ccccc21 ZINC000225376990 206044647 /nfs/dbraw/zinc/04/46/47/206044647.db2.gz IGZXRVSFZGTNSG-UHFFFAOYSA-N 0 0 377.315 4.495 40 0 GIABRN CCc1cc(S(=O)(=O)N[C@@H](CC)c2ccc(OC)c(C)c2)ccc1OC ZINC000225338404 206044688 /nfs/dbraw/zinc/04/46/88/206044688.db2.gz WBLXNGZOKFVHAZ-SFHVURJKSA-N 0 0 377.506 4.004 40 0 GIABRN COC(=O)c1ccc(OC)c(NC(=O)CSCc2ccc(Cl)cc2F)c1 ZINC000225401983 206044958 /nfs/dbraw/zinc/04/49/58/206044958.db2.gz LWXPAHOGRBFLPV-UHFFFAOYSA-N 0 0 397.855 4.146 40 0 GIABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000225401403 206045881 /nfs/dbraw/zinc/04/58/81/206045881.db2.gz DKHVFFUFTJVAED-INIZCTEOSA-N 0 0 387.436 4.149 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000225430574 206047177 /nfs/dbraw/zinc/04/71/77/206047177.db2.gz NKJJIAOMPWGVLE-KRWDZBQOSA-N 0 0 398.522 4.219 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1cccc2ccccc21 ZINC000225439034 206047412 /nfs/dbraw/zinc/04/74/12/206047412.db2.gz SGBVFYGPWRTYTD-QGZVFWFLSA-N 0 0 392.474 4.075 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225444674 206049366 /nfs/dbraw/zinc/04/93/66/206049366.db2.gz JKJFWTBKHVRQOD-SFTDATJTSA-N 0 0 394.559 4.220 40 0 GIABRN FC(F)(F)c1cccc(NC(=S)NCc2ccc(-n3ccnc3)cc2)c1 ZINC000225453001 206049576 /nfs/dbraw/zinc/04/95/76/206049576.db2.gz GXJCKCAOOPPSLU-UHFFFAOYSA-N 0 0 376.407 4.378 40 0 GIABRN CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000225442450 206049609 /nfs/dbraw/zinc/04/96/09/206049609.db2.gz MXZOORDQWFKSMP-QHCPKHFHSA-N 0 0 394.559 4.304 40 0 GIABRN CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=S)Nc1ccc(F)cc1 ZINC000225461336 206050209 /nfs/dbraw/zinc/05/02/09/206050209.db2.gz NSWVHAZVWPOVTF-UHFFFAOYSA-N 0 0 376.844 4.358 40 0 GIABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C ZINC000225475333 206051593 /nfs/dbraw/zinc/05/15/93/206051593.db2.gz UEESGFIPFNBROS-LJQANCHMSA-N 0 0 396.531 4.131 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225507441 206053086 /nfs/dbraw/zinc/05/30/86/206053086.db2.gz PTABCSKXUWOUSY-FQEVSTJZSA-N 0 0 380.532 4.178 40 0 GIABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)[nH]1 ZINC000225059477 206036249 /nfs/dbraw/zinc/03/62/49/206036249.db2.gz CLEZBQYZHCNUAG-SFTDATJTSA-N 0 0 391.544 4.193 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 ZINC000225083172 206036254 /nfs/dbraw/zinc/03/62/54/206036254.db2.gz KTJYUSXPVRBOPL-VQTJNVASSA-N 0 0 380.532 4.178 40 0 GIABRN CCOc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3CC)cc1Cl ZINC000225123684 206036647 /nfs/dbraw/zinc/03/66/47/206036647.db2.gz NSUHCDWNBYDEAN-UHFFFAOYSA-N 0 0 376.865 4.387 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000225101779 206036716 /nfs/dbraw/zinc/03/67/16/206036716.db2.gz HXGSKKFMKMNLKM-FQEVSTJZSA-N 0 0 386.923 4.216 40 0 GIABRN O=C(CSCc1ccc(Br)cc1)NCCSC1CCCC1 ZINC000225711969 206068623 /nfs/dbraw/zinc/06/86/23/206068623.db2.gz BVGUNLDRUWZHRP-UHFFFAOYSA-N 0 0 388.396 4.474 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000225711853 206070000 /nfs/dbraw/zinc/07/00/00/206070000.db2.gz DXHKIXHPISJUJQ-FQEVSTJZSA-N 0 0 386.923 4.215 40 0 GIABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000225728588 206071376 /nfs/dbraw/zinc/07/13/76/206071376.db2.gz XPSROZWLYVBHJZ-MRXNPFEDSA-N 0 0 378.472 4.098 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=S)NCc2cccc(OC(C)C)c2)c1 ZINC000225524337 206055538 /nfs/dbraw/zinc/05/55/38/206055538.db2.gz NMJXDMUQEUABTF-UHFFFAOYSA-N 0 0 386.517 4.446 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1F ZINC000225526848 206055589 /nfs/dbraw/zinc/05/55/89/206055589.db2.gz UXRKXSMGVFDYQI-AVRDEDQJSA-N 0 0 398.522 4.399 40 0 GIABRN COc1ccccc1CCCNC(=S)Nc1cccc(Br)c1 ZINC000225549288 206056716 /nfs/dbraw/zinc/05/67/16/206056716.db2.gz JGRXMXKNIRCORB-UHFFFAOYSA-N 0 0 379.323 4.377 40 0 GIABRN COc1ccc(NC(=S)NCCCc2ccc(OC(C)C)cc2)c(OC)c1 ZINC000225568252 206057053 /nfs/dbraw/zinc/05/70/53/206057053.db2.gz OXMQCPOOYPKLPM-UHFFFAOYSA-N 0 0 388.533 4.410 40 0 GIABRN COC(=O)c1cc(NC(=S)NCCCc2ccc(OC)cc2)ccc1Cl ZINC000225557015 206057412 /nfs/dbraw/zinc/05/74/12/206057412.db2.gz GJOMMJCPMPXMDB-UHFFFAOYSA-N 0 0 392.908 4.054 40 0 GIABRN CCC1(CC)C[C@H](NS(=O)(=O)c2ccc(F)cc2C)c2ccccc2O1 ZINC000225591598 206058019 /nfs/dbraw/zinc/05/80/19/206058019.db2.gz UMGFUQWVZCEUOH-KRWDZBQOSA-N 0 0 377.481 4.495 40 0 GIABRN Cc1ccc(C)c(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)c1 ZINC000225738759 206072074 /nfs/dbraw/zinc/07/20/74/206072074.db2.gz SWXOXRUWQWEHTO-UHFFFAOYSA-N 0 0 385.261 4.020 40 0 GIABRN Cc1cc(F)ccc1S(=O)(=O)NCCSCc1c(F)cccc1Cl ZINC000225593172 206058661 /nfs/dbraw/zinc/05/86/61/206058661.db2.gz RNUVASCHGSFAGA-UHFFFAOYSA-N 0 0 391.892 4.138 40 0 GIABRN Cc1ccccc1CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)C ZINC000225574110 206059553 /nfs/dbraw/zinc/05/95/53/206059553.db2.gz QPCABTPSXCLVRU-KRWDZBQOSA-N 0 0 386.923 4.133 40 0 GIABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCc1ccccc1 ZINC000225577006 206059733 /nfs/dbraw/zinc/05/97/33/206059733.db2.gz LDNPFNGEQSZSCB-ZHZULCJRSA-N 0 0 376.481 4.144 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)NCCCOC2CCCCC2)c(C)c1 ZINC000225618025 206061444 /nfs/dbraw/zinc/06/14/44/206061444.db2.gz ZZNYTLMQRQFGMI-UHFFFAOYSA-N 0 0 378.538 4.198 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)COc2ccc(C)cc2)c1 ZINC000225642009 206061806 /nfs/dbraw/zinc/06/18/06/206061806.db2.gz KOTCZRDRRMNNLS-ZDUSSCGKSA-N 0 0 392.908 4.189 40 0 GIABRN CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1 ZINC000225622363 206061904 /nfs/dbraw/zinc/06/19/04/206061904.db2.gz IKOLOXWHSWSTNX-JOCHJYFZSA-N 0 0 390.524 4.002 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)COc2ccc(C)cc2)c1 ZINC000225642364 206062154 /nfs/dbraw/zinc/06/21/54/206062154.db2.gz WKNFYADBFCSYHU-INIZCTEOSA-N 0 0 386.517 4.234 40 0 GIABRN COC(=O)c1cc(NC(=S)N[C@H](C)COc2ccc(C)cc2)ccc1Cl ZINC000225641964 206063142 /nfs/dbraw/zinc/06/31/42/206063142.db2.gz GNZKQGXZGDGCEU-CYBMUJFWSA-N 0 0 392.908 4.189 40 0 GIABRN COC(=O)c1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 ZINC000225679123 206065667 /nfs/dbraw/zinc/06/56/67/206065667.db2.gz NSUHNLCJNNYFSZ-KRWDZBQOSA-N 0 0 384.501 4.370 40 0 GIABRN CSc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1NC(C)=O ZINC000225669215 206066137 /nfs/dbraw/zinc/06/61/37/206066137.db2.gz VJOOAKXVZYYGNN-UHFFFAOYSA-N 0 0 386.498 4.321 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)cc1C ZINC000225687970 206068100 /nfs/dbraw/zinc/06/81/00/206068100.db2.gz IZQPZKNJBSDBOU-LJQANCHMSA-N 0 0 398.522 4.175 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CSc1ccccc1 ZINC000225699745 206068164 /nfs/dbraw/zinc/06/81/64/206068164.db2.gz SWBUWXGXBSWZPV-HXUWFJFHSA-N 0 0 384.545 4.111 40 0 GIABRN Cc1ccc(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)cc1C ZINC000225738857 206073382 /nfs/dbraw/zinc/07/33/82/206073382.db2.gz HDAROZVRXLQNHG-UHFFFAOYSA-N 0 0 385.261 4.020 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)c2snnc2-c2ccc(Cl)cc2)cc1 ZINC000225770699 206074011 /nfs/dbraw/zinc/07/40/11/206074011.db2.gz MVJNROCODKOHHH-UHFFFAOYSA-N 0 0 387.848 4.288 40 0 GIABRN O=C(Nc1c(F)cccc1F)c1snnc1-c1ccc(Br)cc1 ZINC000225783952 206076277 /nfs/dbraw/zinc/07/62/77/206076277.db2.gz NTUZEJMBALWGPG-UHFFFAOYSA-N 0 0 396.216 4.498 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=S)NCCOc2ccccc2Cl)c1 ZINC000225780396 206076449 /nfs/dbraw/zinc/07/64/49/206076449.db2.gz MQAOTKZYDNWWCY-UHFFFAOYSA-N 0 0 392.908 4.191 40 0 GIABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCc2ccccc2)c1 ZINC000225803124 206076842 /nfs/dbraw/zinc/07/68/42/206076842.db2.gz NBFUCHIFHIRZOC-PGMHBOJBSA-N 0 0 390.508 4.186 40 0 GIABRN CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)cc1 ZINC000225798220 206078203 /nfs/dbraw/zinc/07/82/03/206078203.db2.gz KOMPBAAHFMDYAP-UHFFFAOYSA-N 0 0 386.517 4.129 40 0 GIABRN C[C@@H](CCc1ccccc1)NC(=O)CCc1nc(-c2ccccc2Cl)no1 ZINC000225811912 206078929 /nfs/dbraw/zinc/07/89/29/206078929.db2.gz LLXSWSOWSXEDCY-HNNXBMFYSA-N 0 0 383.879 4.460 40 0 GIABRN CCOc1ccc2c(c1)OC1(CCN(C(=O)Nc3ccccc3)CC1)CC2=O ZINC000225820717 206079107 /nfs/dbraw/zinc/07/91/07/206079107.db2.gz MLAVIMHNSWWKIO-UHFFFAOYSA-N 0 0 380.444 4.117 40 0 GIABRN CCCCNC(=O)c1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1 ZINC000225811528 206079115 /nfs/dbraw/zinc/07/91/15/206079115.db2.gz RNPZYFBJCPDETR-UHFFFAOYSA-N 0 0 394.393 4.253 40 0 GIABRN CCOc1cccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000225821007 206079852 /nfs/dbraw/zinc/07/98/52/206079852.db2.gz MGCJOUWCTWPZGL-UHFFFAOYSA-N 0 0 388.880 4.275 40 0 GIABRN CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC)c(C(=O)OCC)c1 ZINC000225840587 206080114 /nfs/dbraw/zinc/08/01/14/206080114.db2.gz ORTXUAZCDRPVPE-NRFANRHFSA-N 0 0 379.497 4.432 40 0 GIABRN Fc1cccc(F)c1NC(=S)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000225833292 206081162 /nfs/dbraw/zinc/08/11/62/206081162.db2.gz KMSJLJAKOGGRBL-UHFFFAOYSA-N 0 0 380.807 4.155 40 0 GIABRN O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)NCc1cccnc1 ZINC000225831144 206081232 /nfs/dbraw/zinc/08/12/32/206081232.db2.gz BITHRDGGIZPHDF-UHFFFAOYSA-N 0 0 384.439 4.048 40 0 GIABRN CCOc1ccc(-c2noc(CNC(=S)Nc3ccc(Cl)cc3)n2)cc1 ZINC000225829832 206081682 /nfs/dbraw/zinc/08/16/82/206081682.db2.gz ROVCRSKQZLMGET-UHFFFAOYSA-N 0 0 388.880 4.275 40 0 GIABRN CCOC(=O)C1(c2ccc(NC(=O)c3conc3-c3ccccc3)cc2)CC1 ZINC000225869998 206082654 /nfs/dbraw/zinc/08/26/54/206082654.db2.gz MUCUOBVXRRDLIZ-UHFFFAOYSA-N 0 0 376.412 4.189 40 0 GIABRN CCCCOc1ccc(NC(=O)[C@@](C)(OCCC)C2CC2)cc1C(=O)OC ZINC000225857776 206083075 /nfs/dbraw/zinc/08/30/75/206083075.db2.gz LMTHKAKBVXXHPC-NRFANRHFSA-N 0 0 377.481 4.186 40 0 GIABRN CCOCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c(C)n1 ZINC000225864721 206083124 /nfs/dbraw/zinc/08/31/24/206083124.db2.gz MTMRUEGGESLXCG-UHFFFAOYSA-N 0 0 398.503 4.264 40 0 GIABRN Cc1cc(S(=O)(=O)NCc2ccccc2)c(C(C)C)cc1Br ZINC000032602076 206090784 /nfs/dbraw/zinc/09/07/84/206090784.db2.gz IOJLPEVQQBRJSY-UHFFFAOYSA-N 0 0 382.323 4.359 40 0 GIABRN CCOC(CC(C)C)(CC(C)C)C(=O)Nc1cnc(OCCOC)c(C)c1 ZINC000225896123 206084507 /nfs/dbraw/zinc/08/45/07/206084507.db2.gz SXKVYUCEHHLMHG-UHFFFAOYSA-N 0 0 380.529 4.221 40 0 GIABRN CCCO[C@@]1(C(=O)Nc2ccc(OCCOCC)nc2C)CCC[C@H](C)C1 ZINC000225911316 206084749 /nfs/dbraw/zinc/08/47/49/206084749.db2.gz ZUMMCVKIZARTTB-KKSFZXQISA-N 0 0 378.513 4.119 40 0 GIABRN CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000225967660 206087015 /nfs/dbraw/zinc/08/70/15/206087015.db2.gz ZFMJWLQYHVDRIO-UHFFFAOYSA-N 0 0 387.288 4.032 40 0 GIABRN COc1ccc2oc(=O)c(C(=O)NCc3ccc(Cl)cc3Cl)cc2c1 ZINC000226038029 206087345 /nfs/dbraw/zinc/08/73/45/206087345.db2.gz WCWJSHUQDRPESJ-UHFFFAOYSA-N 0 0 378.211 4.038 40 0 GIABRN CC[C@H](C)C(=O)O[C@H]1CCC[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 ZINC000031543310 206087621 /nfs/dbraw/zinc/08/76/21/206087621.db2.gz VXDSGTRNDFHIJB-CGDGMRKMSA-N 0 0 392.536 4.029 40 0 biogenic,in-vitro GIABRN Cc1c(Cl)cccc1S(=O)(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000032416767 206089193 /nfs/dbraw/zinc/08/91/93/206089193.db2.gz RGPDWEZQJHZGDG-UHFFFAOYSA-N 0 0 389.908 4.093 40 0 GIABRN O=C(c1cc(Cl)c(I)c(Cl)c1)N1CCCCC1 ZINC000059842953 206102890 /nfs/dbraw/zinc/10/28/90/206102890.db2.gz OSJALDXKLUVPBZ-UHFFFAOYSA-N 0 0 384.044 4.224 40 0 GIABRN O=C([C@@H]1COc2ccccc2O1)N(Cc1ccco1)Cc1cccc(Cl)c1 ZINC000032594221 206091437 /nfs/dbraw/zinc/09/14/37/206091437.db2.gz VALFIICGCFATCF-FQEVSTJZSA-N 0 0 383.831 4.302 40 0 GIABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)[C@@H](O)C[C@@H]32)C1 ZINC000123278177 206111956 /nfs/dbraw/zinc/11/19/56/206111956.db2.gz WAPONCJWJZUKKE-STIVZGKQSA-N 0 0 376.537 4.137 40 0 GIABRN CC(C)c1cc(C(=O)N2C[C@@H]3CC[C@H](Oc4ccc(Cl)cc4)[C@@H]3C2)n(C)n1 ZINC000257206537 206159013 /nfs/dbraw/zinc/15/90/13/206159013.db2.gz BDXBBXBXKZHBNC-NQYLQCIDSA-N 0 0 387.911 4.127 40 0 GIABRN COc1cccc(Nc2ncccc2C(=O)N2CCCC[C@@H]2c2n[nH]cc2C)c1 ZINC000257211926 206159538 /nfs/dbraw/zinc/15/95/38/206159538.db2.gz CBCQZTQRKGVHMX-LJQANCHMSA-N 0 0 391.475 4.233 40 0 GIABRN COc1cccc2c1OC1(CCN(Cc3ncccc3F)CC1)[C@H]1CCCO[C@H]21 ZINC000257222209 206160358 /nfs/dbraw/zinc/16/03/58/206160358.db2.gz DSJRZWUZJBZXDL-LAUBAEHRSA-N 0 0 398.478 4.124 40 0 GIABRN Cc1cc(C)n(CC(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)n1 ZINC000257215726 206160440 /nfs/dbraw/zinc/16/04/40/206160440.db2.gz CRIUVFGOBZTOIU-LJQANCHMSA-N 0 0 398.894 4.096 40 0 GIABRN Cc1cc(C)n(CC(=O)N2CCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)n1 ZINC000257215725 206160912 /nfs/dbraw/zinc/16/09/12/206160912.db2.gz CRIUVFGOBZTOIU-IBGZPJMESA-N 0 0 398.894 4.096 40 0 GIABRN Cc1cnn(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)c1 ZINC000257214335 206161433 /nfs/dbraw/zinc/16/14/33/206161433.db2.gz CLPZXGVPSGQGFH-LJQANCHMSA-N 0 0 398.894 4.178 40 0 GIABRN COc1ccccc1C(=O)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257217299 206161684 /nfs/dbraw/zinc/16/16/84/206161684.db2.gz CYKMKZNXZRLXJO-IBGZPJMESA-N 0 0 380.419 4.390 40 0 GIABRN O=C(NC1CCC(NC(=O)OC[C@@H]2CC=CCC2)CC1)OC[C@H]1CC=CCC1 ZINC000255187055 206151354 /nfs/dbraw/zinc/15/13/54/206151354.db2.gz BAKATBMUFWLOAO-VCWRXUFXSA-N 0 0 390.524 4.463 40 0 GIABRN COc1ccc([C@H]2C[C@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1OC(F)F ZINC000257280421 206171328 /nfs/dbraw/zinc/17/13/28/206171328.db2.gz OKUFJQCUKOGCOV-DCAOPYJOSA-N 0 0 397.462 4.458 40 0 GIABRN Cc1n[nH]cc1C(=O)N1CCC[C@H](c2cc(-c3ccc(F)cc3)cc(C)n2)C1 ZINC000257279757 206171418 /nfs/dbraw/zinc/17/14/18/206171418.db2.gz OIBCWLGFMYEVOQ-KRWDZBQOSA-N 0 0 378.451 4.247 40 0 GIABRN CC(C)(C)c1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)[nH]n1 ZINC000257274132 206171858 /nfs/dbraw/zinc/17/18/58/206171858.db2.gz NJRNBQLEVQXNSW-GOSISDBHSA-N 0 0 396.466 4.402 40 0 GIABRN CC(C)(C)OC(=O)N1CC[C@@H]2O[C@@H]3c4cc(O)ccc4OC(C)(C)[C@H]3C[C@H]21 ZINC000257274354 206171966 /nfs/dbraw/zinc/17/19/66/206171966.db2.gz NKQQJCJAGHALJU-CIRFHOKZSA-N 0 0 375.465 4.019 40 0 GIABRN COc1cccc(C(=O)N2CCC[C@H](c3ccc(-c4c(C)noc4C)cn3)C2)c1 ZINC000257282590 206172217 /nfs/dbraw/zinc/17/22/17/206172217.db2.gz OUKINBNCERZCGL-IBGZPJMESA-N 0 0 391.471 4.382 40 0 GIABRN Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCCN2C(=O)c2ccc(O)cc2)n1 ZINC000257286782 206173267 /nfs/dbraw/zinc/17/32/67/206173267.db2.gz PNADYXCGMXMUHT-LJQANCHMSA-N 0 0 392.459 4.130 40 0 GIABRN CC(=O)NC[C@]1(c2ccccc2)CC[C@@H]2[C@@H](O)C[C@@H](c3ccccc3)O[C@H]2CC1 ZINC000257287710 206173909 /nfs/dbraw/zinc/17/39/09/206173909.db2.gz PREUHTRJUIYREI-RYWAYVEBSA-N 0 0 393.527 4.142 40 0 GIABRN O=C(c1ccc(F)cc1)N1CCC2(CC1)Oc1c(O)cccc1[C@H]1OCCC[C@@H]12 ZINC000257301141 206175246 /nfs/dbraw/zinc/17/52/46/206175246.db2.gz RXDKTESSAKNKOD-AZUAARDMSA-N 0 0 397.446 4.066 40 0 GIABRN O=C(C1CCCC1)N1CCO[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000257305855 206176166 /nfs/dbraw/zinc/17/61/66/206176166.db2.gz SRVUQYGDCSOPTL-OAQYLSRUSA-N 0 0 384.907 4.416 40 0 GIABRN Cc1nccc(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)n1 ZINC000257303033 206176479 /nfs/dbraw/zinc/17/64/79/206176479.db2.gz SFNAYOVIHKOAER-INIZCTEOSA-N 0 0 396.878 4.037 40 0 GIABRN CNc1nccnc1[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000257303072 206176791 /nfs/dbraw/zinc/17/67/91/206176791.db2.gz SFRBUVCQIDSREQ-FQEVSTJZSA-N 0 0 388.471 4.221 40 0 GIABRN CC(C)C[C@@H]1[C@H](Nc2cccc(F)c2)CCCN1C(=O)CCc1ccnn1C ZINC000257312459 206178418 /nfs/dbraw/zinc/17/84/18/206178418.db2.gz UOAUJMPMKOOYNO-NHCUHLMSSA-N 0 0 386.515 4.010 40 0 GIABRN CC(C)C(=O)N(C)[C@@H]1CCC[C@@H](Nc2cccc(Oc3ccccc3)c2)[C@@H]1O ZINC000257233034 206162434 /nfs/dbraw/zinc/16/24/34/206162434.db2.gz GNLLIKNSNLREFC-VSKRKVRLSA-N 0 0 382.504 4.287 40 0 GIABRN Cc1ccc(OCC(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)cc1 ZINC000257225487 206162900 /nfs/dbraw/zinc/16/29/00/206162900.db2.gz FGJRVXRWPOQTER-HXUWFJFHSA-N 0 0 390.483 4.359 40 0 GIABRN O=C(COc1ccccc1F)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257230914 206163510 /nfs/dbraw/zinc/16/35/10/206163510.db2.gz GEMKTVFFCFSCIC-LJQANCHMSA-N 0 0 398.409 4.286 40 0 GIABRN O=C(c1cc2ccccc2[nH]1)N1CCC[C@@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1 ZINC000257250101 206165705 /nfs/dbraw/zinc/16/57/05/206165705.db2.gz JLAXQYJZMAQING-AUSIDOKSSA-N 0 0 394.446 4.150 40 0 GIABRN CCNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(C(=O)CC)CC1 ZINC000257245259 206166432 /nfs/dbraw/zinc/16/64/32/206166432.db2.gz IORRPMKWSWJJAE-UHFFFAOYSA-N 0 0 392.543 4.359 40 0 GIABRN CC(C)(C)CC(=O)N1CC[C@H](c2ccnc3ncc(-c4ccc(F)cc4)n32)C1 ZINC000257250028 206167123 /nfs/dbraw/zinc/16/71/23/206167123.db2.gz JKSITMYUJTVVAZ-INIZCTEOSA-N 0 0 380.467 4.288 40 0 GIABRN CCC(=O)NC[C@H]1CC[C@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)CC1 ZINC000257254297 206167556 /nfs/dbraw/zinc/16/75/56/206167556.db2.gz KCNCVAMBWXNHPA-IYARVYRRSA-N 0 0 395.547 4.421 40 0 GIABRN COc1ccccc1C(=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257264519 206169012 /nfs/dbraw/zinc/16/90/12/206169012.db2.gz LUTVHLXBJTZVHY-QGZVFWFLSA-N 0 0 394.446 4.433 40 0 GIABRN Cc1nc(CN2[C@H](c3ccc(F)cc3)C[C@]3(C)NC(=O)CCCC[C@H]23)cs1 ZINC000257279946 206170705 /nfs/dbraw/zinc/17/07/05/206170705.db2.gz OIVVWAMVQZIGDQ-ZJOUEHCJSA-N 0 0 387.524 4.355 40 0 GIABRN CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CC2)CC1 ZINC000257330886 206179548 /nfs/dbraw/zinc/17/95/48/206179548.db2.gz XQKMCVBRDIMZQP-UHFFFAOYSA-N 0 0 390.527 4.051 40 0 GIABRN Cn1cc(C(=O)N2CCCC[C@@H]2c2ccc(Cc3ccccc3Cl)nc2)cn1 ZINC000257327571 206179588 /nfs/dbraw/zinc/17/95/88/206179588.db2.gz XBWJXVVQVDOIBA-OAQYLSRUSA-N 0 0 394.906 4.427 40 0 GIABRN Cc1csc(Nc2cccc(C3CCN(C(=O)c4cccnc4)CC3)n2)n1 ZINC000257322603 206179668 /nfs/dbraw/zinc/17/96/68/206179668.db2.gz WGQQSXVBNGCGNF-UHFFFAOYSA-N 0 0 379.489 4.005 40 0 GIABRN O=C([O-])C[N@H+](Cc1c(F)cccc1Cl)C1CCN(c2ccccc2F)CC1 ZINC000257330100 206180143 /nfs/dbraw/zinc/18/01/43/206180143.db2.gz XMUXLMLWMOIKCI-UHFFFAOYSA-N 0 0 394.849 4.174 40 0 GIABRN CCn1cc(CN2CCO[C@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)cn1 ZINC000257333974 206180947 /nfs/dbraw/zinc/18/09/47/206180947.db2.gz YDYQTYISYLKCNU-QFIPXVFZSA-N 0 0 396.922 4.116 40 0 GIABRN O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2CN(Cc3ccsc3)C[C@@H]21 ZINC000306141342 206206309 /nfs/dbraw/zinc/20/63/09/206206309.db2.gz VSQWMVTZFPJMOA-MJGOQNOKSA-N 0 0 387.551 4.232 40 0 GIABRN CC(C)n1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccncc2)CC1 ZINC000306143188 206206851 /nfs/dbraw/zinc/20/68/51/206206851.db2.gz XVKDPEFJNQLEOW-UHFFFAOYSA-N 0 0 388.471 4.050 40 0 GIABRN Cc1c2nc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)[nH]c2ncc1Br ZINC000071257607 206209197 /nfs/dbraw/zinc/20/91/97/206209197.db2.gz SMGZHZNZDXFAGE-NSHDSACASA-N 0 0 395.301 4.143 40 0 GIABRN Cc1c2nc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)[nH]c2ncc1Br ZINC000071257606 206209235 /nfs/dbraw/zinc/20/92/35/206209235.db2.gz SMGZHZNZDXFAGE-LLVKDONJSA-N 0 0 395.301 4.143 40 0 GIABRN O=C(c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CCCC1 ZINC000002475885 206211902 /nfs/dbraw/zinc/21/19/02/206211902.db2.gz XECRKJZXEWDTLZ-MWLCHTKSSA-N 0 0 388.777 4.026 40 0 GIABRN Cn1nc(-c2ccccc2)c2c1[C@@H](c1ccccc1)CN(C(=O)c1ccco1)C2 ZINC000306125638 206196735 /nfs/dbraw/zinc/19/67/35/206196735.db2.gz CWPKOMWQPABIHO-LJQANCHMSA-N 0 0 383.451 4.468 40 0 GIABRN c1nc([C@H]2CCCN2Cc2ccc3c(c2)OCO3)c2ccc(-c3cccnc3)cn12 ZINC000306128532 206198727 /nfs/dbraw/zinc/19/87/27/206198727.db2.gz HCYUPPBNCDHWTR-HXUWFJFHSA-N 0 0 398.466 4.462 40 0 GIABRN Cc1ccc(CN2C[C@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@@H]3C2)s1 ZINC000306129570 206200101 /nfs/dbraw/zinc/20/01/01/206200101.db2.gz IHCPDSURUBLFDO-FXAWDEMLSA-N 0 0 385.510 4.072 40 0 GIABRN Cc1ccccc1C(=O)N1CCC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 ZINC000306131343 206200918 /nfs/dbraw/zinc/20/09/18/206200918.db2.gz KCEJCFWMCIDHGN-HXUWFJFHSA-N 0 0 397.482 4.120 40 0 GIABRN COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2C)ccc1O ZINC000006925064 206220857 /nfs/dbraw/zinc/22/08/57/206220857.db2.gz JEKYBNHMSILYQO-APTRMMRNSA-N 0 0 395.499 4.218 40 0 GIABRN COc1cccc(-c2csc(N3CCN(C(=O)Nc4ccccc4)CC3)n2)c1 ZINC000001349907 220490156 /nfs/dbraw/zinc/49/01/56/220490156.db2.gz KZVGSDWQVNQWTK-UHFFFAOYSA-N 0 0 394.500 4.173 40 0 GIABRN COc1ccc([C@@H](c2c[nH]c3ccccc32)C2C(=O)OC(C)(C)OC2=O)cc1C ZINC000409111129 533137460 /nfs/dbraw/zinc/13/74/60/533137460.db2.gz BUIGOJOLFMMZPO-IBGZPJMESA-N 0 0 393.439 4.069 40 0 GIABRN COc1ccc(-c2nnc(SC(=O)c3ccc(Cl)cc3)o2)c(OC)c1 ZINC000408672678 533200970 /nfs/dbraw/zinc/20/09/70/533200970.db2.gz VUVGVUIDSJUFBZ-UHFFFAOYSA-N 0 0 376.821 4.340 40 0 GIABRN O=C(CCc1ccncc1)N(Cc1ccc2c(c1)OCO2)Cc1cccc(F)c1 ZINC000019293769 221405870 /nfs/dbraw/zinc/40/58/70/221405870.db2.gz CBLZQFKASRBPMO-UHFFFAOYSA-N 0 0 392.430 4.111 40 0 GIABRN CCc1ccc(OCC(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)cc1 ZINC000020143907 221474864 /nfs/dbraw/zinc/47/48/64/221474864.db2.gz MHTNGGDKKZQHJW-UHFFFAOYSA-N 0 0 381.428 4.027 40 0 GIABRN CCCOc1ccc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)cc1 ZINC000020141749 221475006 /nfs/dbraw/zinc/47/50/06/221475006.db2.gz IUUGMCJYNHBDLD-UHFFFAOYSA-N 0 0 381.428 4.489 40 0 GIABRN COc1ccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@]2(O)C(F)(F)F)cc1 ZINC000409088268 533318050 /nfs/dbraw/zinc/31/80/50/533318050.db2.gz KRDYZVLHEBXHJL-OHNRDTAOSA-N 0 0 398.425 4.220 40 0 GIABRN COCCN1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C1=O ZINC000409139389 533341455 /nfs/dbraw/zinc/34/14/55/533341455.db2.gz NGWGTCYKSXIPDI-LDADJPATSA-N 0 0 387.432 4.087 40 0 GIABRN COc1ccc(C(=O)Sc2nnc(-c3ccccc3Cl)o2)c(OC)c1 ZINC000408585123 533352608 /nfs/dbraw/zinc/35/26/08/533352608.db2.gz AMUPBCJCTOZRLT-UHFFFAOYSA-N 0 0 376.821 4.340 40 0 GIABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(Br)cc1C ZINC000408622332 533406405 /nfs/dbraw/zinc/40/64/05/533406405.db2.gz OYLBMCYIPQCAIW-UHFFFAOYSA-N 0 0 393.306 4.201 40 0 GIABRN COC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)cc2)C1=O ZINC000409244956 533501427 /nfs/dbraw/zinc/50/14/27/533501427.db2.gz LEWMYOPGYBSGNT-GZTJUZNOSA-N 0 0 399.493 4.356 40 0 GIABRN COc1cc(C(=S)NC[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1 ZINC000408578210 533560634 /nfs/dbraw/zinc/56/06/34/533560634.db2.gz WUPOVFJTGRZYRR-QGZVFWFLSA-N 0 0 391.920 4.372 40 0 GIABRN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)c(Cl)c2)cc1 ZINC000020973901 533607175 /nfs/dbraw/zinc/60/71/75/533607175.db2.gz OQTRQXSWZKBZGG-UHFFFAOYSA-N 0 0 399.922 4.205 40 0 GIABRN CC(C)(C)NC(=O)c1cnc(-c2noc3cc(N4CCCCC4)ccc32)s1 ZINC000096154635 136184756 /nfs/dbraw/zinc/18/47/56/136184756.db2.gz IQWKQTLXCWYBHX-UHFFFAOYSA-N 0 0 384.505 4.470 40 0 GIABRN Cc1ccc(N2CCC3(CC2)c2ccccc2N(c2ccsc2)C3=O)nn1 ZINC000096241431 136185624 /nfs/dbraw/zinc/18/56/24/136185624.db2.gz GAXPFURLQWVBGR-UHFFFAOYSA-N 0 0 376.485 4.063 40 0 GIABRN CC[C@@H]1CCCCN1c1cc(C)nc2cc(-c3cc(OC)cc(OC)c3)nn21 ZINC000001340784 136193152 /nfs/dbraw/zinc/19/31/52/136193152.db2.gz LFCFLHWHPJEYEZ-QGZVFWFLSA-N 0 0 380.492 4.491 40 0 GIABRN C[C@]12C[C@H](NC(=O)N1c1ccc(F)c(F)c1)c1cc(Br)ccc1O2 ZINC000004852801 136194092 /nfs/dbraw/zinc/19/40/92/136194092.db2.gz GUKNKGAMRPRIQK-YOEHRIQHSA-N 0 0 395.203 4.497 40 0 GIABRN Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000004968017 136194439 /nfs/dbraw/zinc/19/44/39/136194439.db2.gz BAFSIDUJJBIFGA-CYBMUJFWSA-N 0 0 379.291 4.255 40 0 GIABRN CC(C)c1ccc2[nH]c(=O)c(CNc3ccc(N4CCC[C@@H](O)C4)cc3)cc2c1 ZINC000013563053 136201315 /nfs/dbraw/zinc/20/13/15/136201315.db2.gz QYVUXAQGFPACHF-JOCHJYFZSA-N 0 0 391.515 4.225 40 0 GIABRN Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1N1CCCCS1(=O)=O ZINC000224396120 136207041 /nfs/dbraw/zinc/20/70/41/136207041.db2.gz RNMKQEWRFGMLSU-UHFFFAOYSA-N 0 0 394.496 4.331 40 0 GIABRN O=C(CN1CCCC[C@H]1c1cccnc1)Nc1nc(-c2ccccc2)cs1 ZINC000066091667 222137129 /nfs/dbraw/zinc/13/71/29/222137129.db2.gz BGOVKFTUYRMSDD-IBGZPJMESA-N 0 0 378.501 4.371 40 0 GIABRN Cc1cc(Cl)ccc1NC(=O)[C@H]1CSCN1C(=O)OCc1ccccc1 ZINC000408738648 533786615 /nfs/dbraw/zinc/78/66/15/533786615.db2.gz UAMSKTLDXKKKDB-QGZVFWFLSA-N 0 0 390.892 4.299 40 0 GIABRN Cc1ccc(-c2nnc(-n3nc(N)nc3-c3ccccc3)c3ccccc32)cc1 ZINC000408721598 534222507 /nfs/dbraw/zinc/22/25/07/534222507.db2.gz JSLFIHSAUGJAKC-UHFFFAOYSA-N 0 0 378.439 4.265 40 0 GIABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)cc1 ZINC000006761942 517393424 /nfs/dbraw/zinc/39/34/24/517393424.db2.gz GLKBGPQYWSRDPV-UHFFFAOYSA-N 0 0 377.473 4.403 40 0 GIABRN Cc1cccc(C(=O)OCC(=O)Nc2ccc(Br)c(C)c2C)c1 ZINC000408644570 534629146 /nfs/dbraw/zinc/62/91/46/534629146.db2.gz GROBCXUVEIDJNR-UHFFFAOYSA-N 0 0 376.250 4.170 40 0 GIABRN CC(C)(C)NC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)C(C)(C)O2 ZINC000004965745 534716359 /nfs/dbraw/zinc/71/63/59/534716359.db2.gz DUODFXTYKBMTBR-UHFFFAOYSA-N 0 0 384.451 4.058 40 0 GIABRN CC(C)(C)NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000408973685 526324007 /nfs/dbraw/zinc/32/40/07/526324007.db2.gz ONJWBJBOQBWEPI-OAQYLSRUSA-N 0 0 382.529 4.032 40 0 GIABRN CC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)Cc1ccccc1)N2 ZINC000409106179 526647839 /nfs/dbraw/zinc/64/78/39/526647839.db2.gz MJRZCUDYEGXCHF-SPYBWZPUSA-N 0 0 382.426 4.141 40 0 GIABRN CC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000408707786 527632750 /nfs/dbraw/zinc/63/27/50/527632750.db2.gz LYLRZHSCIJLAMW-HPUBIQBYSA-N 0 0 376.928 4.414 40 0 GIABRN CC(C)CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 ZINC000408628803 527670600 /nfs/dbraw/zinc/67/06/00/527670600.db2.gz ARADPCKYIQKHDC-UHFFFAOYSA-N 0 0 399.922 4.287 40 0 GIABRN CCCC(=O)Nc1nc2ccc(NC(=O)c3c(OC)cccc3OC)cc2s1 ZINC000017081702 527968013 /nfs/dbraw/zinc/96/80/13/527968013.db2.gz ODQXNNKHMPJOPK-UHFFFAOYSA-N 0 0 399.472 4.304 40 0 GIABRN CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000408584113 528050349 /nfs/dbraw/zinc/05/03/49/528050349.db2.gz LRMBGZXBPGKIDX-UHFFFAOYSA-N 0 0 389.521 4.388 40 0 GIABRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccccc3Cl)C(=O)[C@@H]2C1 ZINC000408687029 528122742 /nfs/dbraw/zinc/12/27/42/528122742.db2.gz TXTKMOPGUIDLFA-GOEBONIOSA-N 0 0 394.858 4.438 40 0 GIABRN CCOc1c(Cl)cc(/C=C2/SC(=O)N(CCOC)C2=O)cc1Cl ZINC000409143040 528167835 /nfs/dbraw/zinc/16/78/35/528167835.db2.gz YRBLLZJXXSXCAC-XYOKQWHBSA-N 0 0 376.261 4.075 40 0 GIABRN CCOc1cc(/C=C2\SC(Nc3cc(C)ccc3OC)NC2=O)ccc1OC ZINC000408805491 528196977 /nfs/dbraw/zinc/19/69/77/528196977.db2.gz KRRDIWWNJQGEGP-UHFFFAOYSA-N 0 0 399.492 4.174 40 0 GIABRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408820087 528197032 /nfs/dbraw/zinc/19/70/32/528197032.db2.gz TVGXFOIELZLLNF-WQRHYEAKSA-N 0 0 387.432 4.470 40 0 GIABRN CCOc1cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)ccc1O ZINC000106782080 528197569 /nfs/dbraw/zinc/19/75/69/528197569.db2.gz FIKQLAXLULUCKR-UYRXBGFRSA-N 0 0 399.468 4.215 40 0 GIABRN CC(C)c1ccccc1NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000408738275 528199205 /nfs/dbraw/zinc/19/92/05/528199205.db2.gz QZHBVELJUAGSBT-LJQANCHMSA-N 0 0 380.444 4.076 40 0 GIABRN CC1CCN(c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000408707258 528269843 /nfs/dbraw/zinc/26/98/43/528269843.db2.gz IMPUKMQIIDYKJK-QGZVFWFLSA-N 0 0 395.478 4.054 40 0 GIABRN CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC(=O)Cc1cccc2ccccc21 ZINC000408534361 528291920 /nfs/dbraw/zinc/29/19/20/528291920.db2.gz QQETWSAHSFLUGK-UHFFFAOYSA-N 0 0 388.471 4.449 40 0 GIABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccco2)cc1 ZINC000408674721 528351264 /nfs/dbraw/zinc/35/12/64/528351264.db2.gz BOVFWNJQNRXQIN-UHFFFAOYSA-N 0 0 388.423 4.097 40 0 GIABRN CCOc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl ZINC000408593267 528587227 /nfs/dbraw/zinc/58/72/27/528587227.db2.gz MEAFHZVFLPUNSH-UHFFFAOYSA-N 0 0 376.261 4.202 40 0 GIABRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1ccc(O)cc1)N2 ZINC000409350216 528595470 /nfs/dbraw/zinc/59/54/70/528595470.db2.gz RHJVAHTXHJXJQI-FRIZHTMISA-N 0 0 398.425 4.307 40 0 GIABRN CCOc1cccc(C(=O)Nc2ccc(I)cc2F)c1 ZINC000408623194 528633007 /nfs/dbraw/zinc/63/30/07/528633007.db2.gz RYAMMUKVXXEFNK-UHFFFAOYSA-N 0 0 385.176 4.081 40 0 GIABRN CCOC(=O)COc1ccccc1/C=C1\C(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000409108477 528850161 /nfs/dbraw/zinc/85/01/61/528850161.db2.gz WERBEHXSFRILGP-DHDCSXOGSA-N 0 0 391.345 4.140 40 0 GIABRN CCN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)N(C)C1=S ZINC000409031339 528944618 /nfs/dbraw/zinc/94/46/18/528944618.db2.gz ARKBZTGCLOTHEJ-MOSHPQCFSA-N 0 0 375.497 4.109 40 0 GIABRN CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C)cc1C ZINC000408988316 529102749 /nfs/dbraw/zinc/10/27/49/529102749.db2.gz HPPBTOQKFMRERZ-HXUWFJFHSA-N 0 0 379.460 4.081 40 0 GIABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1OCC ZINC000408588038 529107011 /nfs/dbraw/zinc/10/70/11/529107011.db2.gz WKOIQQKIZXWFMI-UHFFFAOYSA-N 0 0 398.868 4.108 40 0 GIABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(CC)cc2)ccc1OCC ZINC000408585347 529107024 /nfs/dbraw/zinc/10/70/24/529107024.db2.gz FGWCROCMLJXEDW-UHFFFAOYSA-N 0 0 392.477 4.017 40 0 GIABRN COC(=O)c1cc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)ccc1Cl ZINC000219857918 536530163 /nfs/dbraw/zinc/53/01/63/536530163.db2.gz FUJVQDSDMCIZHC-UHFFFAOYSA-N 0 0 386.879 4.290 40 0 GIABRN FC(F)(F)c1ccc(CNC2(Cc3cc(-c4ccccc4)on3)COC2)cc1 ZINC000067898031 560049994 /nfs/dbraw/zinc/04/99/94/560049994.db2.gz WLXNZBQFIMFRKU-UHFFFAOYSA-N 0 0 388.389 4.462 40 0 biogenic,in-vitro GIABRN Fc1ccc(-c2noc([C@@H]3CCCN3Cc3cnc4ccccc4c3)n2)nc1 ZINC000049155346 560083906 /nfs/dbraw/zinc/08/39/06/560083906.db2.gz RRVVEXLEWDDAPV-IBGZPJMESA-N 0 0 375.407 4.156 40 0 biogenic,in-vitro GIABRN O=C(NC1CCCCC1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3cccs3)c12 ZINC000005437640 560201987 /nfs/dbraw/zinc/20/19/87/560201987.db2.gz RSYPGKMHBCSQFF-JKSUJKDBSA-N 0 0 397.544 4.038 40 0 biogenic,in-vitro GIABRN O=C(C1CCCCC1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3cccs3)c12 ZINC000005437579 560202001 /nfs/dbraw/zinc/20/20/01/560202001.db2.gz YTFSITDNQSOENL-DOTOQJQBSA-N 0 0 382.529 4.103 40 0 biogenic,in-vitro GIABRN Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2cccs2)C1 ZINC000008297436 560208224 /nfs/dbraw/zinc/20/82/24/560208224.db2.gz PZBWKXDTJYVQQS-DLBZAZTESA-N 0 0 390.508 4.145 40 0 biogenic,in-vitro GIABRN CC(C)c1nc(N[C@H](CO)C(C)C)cc(N2Cc3ccccc3CC2(C)C)n1 ZINC000328971248 570210125 /nfs/dbraw/zinc/21/01/25/570210125.db2.gz DOTDMSWUBMIKBM-LJQANCHMSA-N 0 0 382.552 4.370 40 0 GIABRN CCc1cccc(NC(=O)N2CCc3c(CN4CCCC4)nn(C(C)C)c3C2)c1 ZINC000096084240 570210343 /nfs/dbraw/zinc/21/03/43/570210343.db2.gz XOYLUKNKSGNXBC-UHFFFAOYSA-N 0 0 395.551 4.212 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2ccccc2Br)cc(C(F)(F)F)n1 ZINC000328985797 570210797 /nfs/dbraw/zinc/21/07/97/570210797.db2.gz HVLRZEBMSCCQQT-VIFPVBQESA-N 0 0 389.219 4.056 40 0 GIABRN Cc1ccc(Nc2cc(-c3ccccn3)nc(N[C@@H](CO)C(C)C)n2)c(Cl)c1 ZINC000328995049 570211182 /nfs/dbraw/zinc/21/11/82/570211182.db2.gz JFQRDXQCRXVRBL-IBGZPJMESA-N 0 0 397.910 4.095 40 0 GIABRN CCNc1nc(Nc2ccc(Br)cc2C)cc(-c2ccncc2)n1 ZINC000329017489 570212549 /nfs/dbraw/zinc/21/25/49/570212549.db2.gz NMWOZJKWQMTLOK-UHFFFAOYSA-N 0 0 384.281 4.207 40 0 GIABRN Clc1ccc(CNc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)cc1 ZINC000329015944 570212561 /nfs/dbraw/zinc/21/25/61/570212561.db2.gz NEHKDYZZRCPCOG-UHFFFAOYSA-N 0 0 393.922 4.393 40 0 GIABRN Cc1ccc(Nc2cc(-c3ccncc3)nc(NC(C)C)n2)c(Br)c1 ZINC000329014371 570212643 /nfs/dbraw/zinc/21/26/43/570212643.db2.gz MVHWFROMFZPOAR-UHFFFAOYSA-N 0 0 398.308 4.017 40 0 GIABRN Cc1c(Br)cccc1Nc1cc(Cl)nc(-c2cccnc2)n1 ZINC000329030793 570213854 /nfs/dbraw/zinc/21/38/54/570213854.db2.gz QGRBOSBPJHVSJU-UHFFFAOYSA-N 0 0 375.657 4.428 40 0 GIABRN CC(C)[C@@H](CO)Nc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C2CC2)n1 ZINC000329039769 570214371 /nfs/dbraw/zinc/21/43/71/570214371.db2.gz RZWYPWGPGSHRKP-LJQANCHMSA-N 0 0 380.536 4.081 40 0 GIABRN O=C(NC1CCCC1)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1 ZINC000096147727 570214405 /nfs/dbraw/zinc/21/44/05/570214405.db2.gz ZQGKGNXPCONZFQ-UHFFFAOYSA-N 0 0 387.487 4.090 40 0 GIABRN O=C(NCc1cccnc1)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 ZINC000096147748 570214565 /nfs/dbraw/zinc/21/45/65/570214565.db2.gz UTBHNXOCSLUCCU-UHFFFAOYSA-N 0 0 396.406 4.475 40 0 GIABRN Brc1ccc2c(c1)CCN(c1cc(NC3CC3)nc(C3CC3)n1)C2 ZINC000329044251 570214831 /nfs/dbraw/zinc/21/48/31/570214831.db2.gz SVRHEYQCTBEKCF-UHFFFAOYSA-N 0 0 385.309 4.254 40 0 GIABRN Cc1ccc(Nc2cc(-c3cccnc3)nc(N[C@@H](CO)C(C)C)n2)cc1Cl ZINC000329049561 570215172 /nfs/dbraw/zinc/21/51/72/570215172.db2.gz UQDIRKIFVABJBA-IBGZPJMESA-N 0 0 397.910 4.095 40 0 GIABRN CC[C@@H](C)Nc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(C2CC2)n1 ZINC000329050611 570215298 /nfs/dbraw/zinc/21/52/98/570215298.db2.gz UTRQAQLKPFUOCD-CQSZACIVSA-N 0 0 382.508 4.144 40 0 GIABRN Cc1c(Br)cccc1Nc1cc(-c2ccccn2)nc(NC(C)C)n1 ZINC000329066911 570215939 /nfs/dbraw/zinc/21/59/39/570215939.db2.gz YERCVLSEMMFKGZ-UHFFFAOYSA-N 0 0 398.308 4.017 40 0 GIABRN CCNc1nc(-c2ccncc2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000329066351 570215973 /nfs/dbraw/zinc/21/59/73/570215973.db2.gz YALJRMUXDSJDKH-UHFFFAOYSA-N 0 0 375.263 4.138 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Cl)cc2)cc(-c2cccnc2)n1 ZINC000329067734 570216364 /nfs/dbraw/zinc/21/63/64/570216364.db2.gz YKMUEZBPUJJPBH-GOSISDBHSA-N 0 0 383.883 4.364 40 0 GIABRN CC(C)n1cnc2c1cc(C1CCN(C(=O)C3(C)CC3)CC1)nc2NCC1CC1 ZINC000096155620 570216512 /nfs/dbraw/zinc/21/65/12/570216512.db2.gz PJXGTSFBNCRDCU-UHFFFAOYSA-N 0 0 395.551 4.340 40 0 GIABRN Cc1ccc(NC(=O)[C@H]2C[C@]3(CO2)CN(Cc2ccccc2)c2ccccc23)nc1 ZINC000096262849 570226583 /nfs/dbraw/zinc/22/65/83/570226583.db2.gz WUAVNSYIZCOIHU-RCZVLFRGSA-N 0 0 399.494 4.076 40 0 GIABRN Cc1c(O)ccc2c1O[C@]1(C[C@@H]2c2ccc(F)cc2)CC(C)(C)NC(=S)N1 ZINC000000875641 570227790 /nfs/dbraw/zinc/22/77/90/570227790.db2.gz MCXGYPFDJCUCGI-IIBYNOLFSA-N 0 0 386.492 4.097 40 0 GIABRN Cc1cc2c(C)ccc(C)c2n2c(SCC(=O)N3CCC(C)CC3)nnc12 ZINC000000929723 570229850 /nfs/dbraw/zinc/22/98/50/570229850.db2.gz WTTZODMNVRQCIT-UHFFFAOYSA-N 0 0 382.533 4.158 40 0 GIABRN COc1ccccc1-c1nnc(CSc2n[nH]c(-c3ccccc3Cl)n2)o1 ZINC000019928229 570230086 /nfs/dbraw/zinc/23/00/86/570230086.db2.gz IEXFZBGCPKVKAI-UHFFFAOYSA-N 0 0 399.863 4.476 40 0 GIABRN O=C(C1CC1)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn43)n2)C1 ZINC000585263042 570230742 /nfs/dbraw/zinc/23/07/42/570230742.db2.gz WXAKCDGUGRVGIW-OAHLLOKOSA-N 0 0 380.879 4.166 40 0 GIABRN CC(=O)N1CC[C@@H](Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)C1 ZINC000585262785 570231181 /nfs/dbraw/zinc/23/11/81/570231181.db2.gz FZZFCOWRZROGTM-INIZCTEOSA-N 0 0 396.491 4.499 40 0 GIABRN O=C(CSCc1c(F)cccc1Cl)NCc1ccc(-n2ccnc2)cc1 ZINC000019932545 570231195 /nfs/dbraw/zinc/23/11/95/570231195.db2.gz QVHCFMXNPSZMKD-UHFFFAOYSA-N 0 0 389.883 4.214 40 0 GIABRN Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2cccc(Br)c2)c(C)c1 ZINC000020029792 570235937 /nfs/dbraw/zinc/23/59/37/570235937.db2.gz MTVCKOOBZULKSM-CQSZACIVSA-N 0 0 382.323 4.414 40 0 GIABRN COc1cccc(OC)c1/C=C/C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000020030240 570236245 /nfs/dbraw/zinc/23/62/45/570236245.db2.gz BRXJVAOZTAFVIO-YLSINNKHSA-N 0 0 390.277 4.357 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020036836 570236462 /nfs/dbraw/zinc/23/64/62/570236462.db2.gz MGAGILADFMERHC-ZRGXPQFDSA-N 0 0 378.516 4.010 40 0 GIABRN COc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1OC ZINC000020038164 570236639 /nfs/dbraw/zinc/23/66/39/570236639.db2.gz ZZFQIJPIXCHAEY-UHFFFAOYSA-N 0 0 385.441 4.297 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)CCc2ccc(OCC)c(OCC)c2)cc1 ZINC000020039325 570236862 /nfs/dbraw/zinc/23/68/62/570236862.db2.gz STPRLTGEBDFYPQ-UHFFFAOYSA-N 0 0 385.460 4.232 40 0 GIABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)cc(C)c1Cl ZINC000020049593 570237835 /nfs/dbraw/zinc/23/78/35/570237835.db2.gz KMKLSQAHOANTEY-HNNXBMFYSA-N 0 0 386.879 4.490 40 0 GIABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1-n1ccnc1C ZINC000020051000 570237956 /nfs/dbraw/zinc/23/79/56/570237956.db2.gz VXDSWPBMYOSSBZ-HXUWFJFHSA-N 0 0 383.879 4.308 40 0 GIABRN CCSc1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl ZINC000020104821 570239645 /nfs/dbraw/zinc/23/96/45/570239645.db2.gz FLSOICJHHYODRA-UHFFFAOYSA-N 0 0 384.910 4.076 40 0 GIABRN COc1ccc(CN(C)C(=O)CSCc2ccc(Cl)cc2)cc1OC ZINC000020456526 570259142 /nfs/dbraw/zinc/25/91/42/570259142.db2.gz RNEAHRANCCUVKO-UHFFFAOYSA-N 0 0 379.909 4.249 40 0 GIABRN CCc1cc(I)ccc1NC(=O)COc1ccc(C)cc1 ZINC000001262701 570259706 /nfs/dbraw/zinc/25/97/06/570259706.db2.gz ZYPZIZLFOLAMFF-UHFFFAOYSA-N 0 0 395.240 4.180 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc(OC)c2)cc1Cl ZINC000020458408 570260027 /nfs/dbraw/zinc/26/00/27/570260027.db2.gz GUUMTMWHIKDASR-SFHVURJKSA-N 0 0 391.851 4.321 40 0 GIABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1nc2ccc(F)cc2s1 ZINC000001263828 570260134 /nfs/dbraw/zinc/26/01/34/570260134.db2.gz XTLUQKYESGPRAG-UHFFFAOYSA-N 0 0 395.868 4.224 40 0 GIABRN COc1ccc(/C=C/C(=O)N(C)Cc2ccc(Cl)cc2)c(OC)c1OC ZINC000020461705 570260740 /nfs/dbraw/zinc/26/07/40/570260740.db2.gz UTPGOUGLFHAGEK-XYOKQWHBSA-N 0 0 375.852 4.038 40 0 GIABRN C[C@H]1C[C@H](C)CN(C(=O)CSc2ncccc2-c2nc3ccccc3[nH]2)C1 ZINC000001329569 570260845 /nfs/dbraw/zinc/26/08/45/570260845.db2.gz JBBAIMLFVVRRNJ-GJZGRUSLSA-N 0 0 380.517 4.222 40 0 GIABRN CC(=O)c1ccc(NC(=O)C2(NC(=O)Nc3ccccc3)CCCCC2)cc1 ZINC000001346980 570260907 /nfs/dbraw/zinc/26/09/07/570260907.db2.gz MCUXHYGRTAMJDG-UHFFFAOYSA-N 0 0 379.460 4.352 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2ccc(F)cc2)ccc1Cl ZINC000020485634 570262098 /nfs/dbraw/zinc/26/20/98/570262098.db2.gz NZLFUSNYSKFTIV-QGZVFWFLSA-N 0 0 379.815 4.452 40 0 GIABRN CCOc1ccc2nc(SCCN3C(=O)c4ccccc4C3=O)sc2c1 ZINC000001469867 570263715 /nfs/dbraw/zinc/26/37/15/570263715.db2.gz XUDUNBZYTIZGOL-UHFFFAOYSA-N 0 0 384.482 4.083 40 0 GIABRN O=C(NC1CCCCC1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020495379 570264312 /nfs/dbraw/zinc/26/43/12/570264312.db2.gz ACORQWSWZWDKBQ-UHFFFAOYSA-N 0 0 392.908 4.203 40 0 GIABRN O=C(CNC(=O)OCc1ccccc1)OC(c1ccccc1)c1ccccc1 ZINC000001604024 570265662 /nfs/dbraw/zinc/26/56/62/570265662.db2.gz CKORFFGTYWIWLM-UHFFFAOYSA-N 0 0 375.424 4.246 40 0 GIABRN CCCc1nnc2sc(-c3ccc(NC(=O)c4cccc(OC)c4)cc3)nn12 ZINC000020609770 570271796 /nfs/dbraw/zinc/27/17/96/570271796.db2.gz TVLKCTBPZSZJMM-UHFFFAOYSA-N 0 0 393.472 4.066 40 0 GIABRN CCCc1nnc2sc(-c3ccc(NC(=O)c4ccc(C)cc4)cc3)nn12 ZINC000020609710 570271869 /nfs/dbraw/zinc/27/18/69/570271869.db2.gz INPXIPJDXGPIOT-UHFFFAOYSA-N 0 0 377.473 4.366 40 0 GIABRN Cc1ccc([C@H]2CC(=O)c3cn4nc(SCCC(C)C)nc4nc3C2)cc1 ZINC000020632501 570273109 /nfs/dbraw/zinc/27/31/09/570273109.db2.gz NGVWDEXHLJFUAA-MRXNPFEDSA-N 0 0 380.517 4.484 40 0 GIABRN COc1ccc([C@@H]2Cc3c(c(C)nn3-c3cccc(C)c3)C(=O)C2)cc1OC ZINC000020632908 570273227 /nfs/dbraw/zinc/27/32/27/570273227.db2.gz SXTRCRMLFXEGCK-QGZVFWFLSA-N 0 0 376.456 4.419 40 0 GIABRN CCCN1c2ccccc2[C@@]2(Nc3ccccc3C(=O)N2c2ccccc2)C1=O ZINC000020636567 570273424 /nfs/dbraw/zinc/27/34/24/570273424.db2.gz HDCCNIJEZHBGDA-DEOSSOPVSA-N 0 0 383.451 4.369 40 0 GIABRN Cc1cc(-c2cnc(NC3CC3)nc2[C@H]2CC[C@H](CNC(=O)C(C)C)CC2)on1 ZINC000100744278 570276284 /nfs/dbraw/zinc/27/62/84/570276284.db2.gz ATQNHZMCMLMMRL-IYBDPMFKSA-N 0 0 397.523 4.060 40 0 GIABRN COc1ccc([C@@H]2NC(=S)N(C)C(C)=C2C(=S)Nc2ccccc2)cc1 ZINC000100857973 570278655 /nfs/dbraw/zinc/27/86/55/570278655.db2.gz QDVIZXBWRULTFU-SFHVURJKSA-N 0 0 383.542 4.270 40 0 GIABRN Cc1cc(C)c(N[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c(C)c1 ZINC000101276979 570282249 /nfs/dbraw/zinc/28/22/49/570282249.db2.gz KHLJYHMNZYZWDQ-MRXNPFEDSA-N 0 0 387.277 4.118 40 0 GIABRN CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1CC ZINC000014081562 570287831 /nfs/dbraw/zinc/28/78/31/570287831.db2.gz OBRDNIXHUCWWIX-UHFFFAOYSA-N 0 0 384.480 4.397 40 0 GIABRN O=C1C[C@H](N2CCc3c4ccccc4[nH]c3C2)C(=O)N1c1cccc2ccccc21 ZINC000102330851 570288514 /nfs/dbraw/zinc/28/85/14/570288514.db2.gz QAFFQWOMFBUVQA-QHCPKHFHSA-N 0 0 395.462 4.011 40 0 GIABRN COc1ccc(CCNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 ZINC000021331174 570290372 /nfs/dbraw/zinc/29/03/72/570290372.db2.gz MAEOUYDBJAOTRY-UHFFFAOYSA-N 0 0 384.863 4.295 40 0 GIABRN CC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000002557315 570290624 /nfs/dbraw/zinc/29/06/24/570290624.db2.gz DCPCOYRRYCABSA-DVWPCDKSSA-N 0 0 376.537 4.283 40 0 GIABRN O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000021467244 570295873 /nfs/dbraw/zinc/29/58/73/570295873.db2.gz UWLGWJGVHCNACG-XHSDSOJGSA-N 0 0 385.460 4.036 40 0 GIABRN Clc1ccc2oc(-c3ccccc3)cc(=NCCCN3CCOCC3)c2c1 ZINC000001916719 570298250 /nfs/dbraw/zinc/29/82/50/570298250.db2.gz ZLEGKVYSTRWXKB-UHFFFAOYSA-N 0 0 382.891 4.376 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2CC)c(Cl)c1 ZINC000216309354 570298685 /nfs/dbraw/zinc/29/86/85/570298685.db2.gz BUZWXCOHVYUQFM-CYBMUJFWSA-N 0 0 375.852 4.485 40 0 GIABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1Cl ZINC000216442671 570302031 /nfs/dbraw/zinc/30/20/31/570302031.db2.gz SHHVNNDDPLRWOJ-UHFFFAOYSA-N 0 0 393.679 4.271 40 0 GIABRN CCCCCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)CCC)CC1 ZINC000021578170 570304859 /nfs/dbraw/zinc/30/48/59/570304859.db2.gz MYULSHAYXKBMLI-UHFFFAOYSA-N 0 0 379.932 4.308 40 0 GIABRN CCN(CC)c1ncccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072212934 570313706 /nfs/dbraw/zinc/31/37/06/570313706.db2.gz PTWCOXIZRVEFJG-FQEVSTJZSA-N 0 0 387.549 4.152 40 0 GIABRN CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072214446 570314513 /nfs/dbraw/zinc/31/45/13/570314513.db2.gz FOILFWRDDLXQAT-GOSISDBHSA-N 0 0 381.476 4.430 40 0 GIABRN Cc1nc(N2CCOCC2)ccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072219655 570318119 /nfs/dbraw/zinc/31/81/19/570318119.db2.gz KDPAIVUEDGTAAK-NRFANRHFSA-N 0 0 395.503 4.090 40 0 GIABRN C[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(F)cc1 ZINC000022622552 570323956 /nfs/dbraw/zinc/32/39/56/570323956.db2.gz MIVIKPYLEAHJPO-SNVBAGLBSA-N 0 0 386.648 4.498 40 0 GIABRN O[C@@H](CCCN1CCN2CCc3[nH]c4ccccc4c3[C@@H]2C1)c1ccc(F)cc1 ZINC000022858947 570331329 /nfs/dbraw/zinc/33/13/29/570331329.db2.gz GGLXFWQANMJCNR-GOTSBHOMSA-N 0 0 393.506 4.036 40 0 GIABRN CCc1ccc(OCC(=O)NCCCc2cccc(C)c2)c(Br)c1 ZINC000218864988 570342486 /nfs/dbraw/zinc/34/24/86/570342486.db2.gz OBAYLXVLVRQXSL-UHFFFAOYSA-N 0 0 390.321 4.448 40 0 GIABRN COc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(Cl)c(C)c1)CC(C)(C)O2 ZINC000218941083 570344146 /nfs/dbraw/zinc/34/41/46/570344146.db2.gz GLGBZDNZPBRDFF-SFHVURJKSA-N 0 0 389.879 4.454 40 0 GIABRN CCOc1ccc(CNC(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000218946101 570344343 /nfs/dbraw/zinc/34/43/43/570344343.db2.gz SMKKABGDJDQUNL-UHFFFAOYSA-N 0 0 398.684 4.196 40 0 GIABRN Cc1ccc(C)c(O[C@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000219076132 570347517 /nfs/dbraw/zinc/34/75/17/570347517.db2.gz PXPFBJKVPFGRLV-CQSZACIVSA-N 0 0 385.851 4.091 40 0 GIABRN CC[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000219292927 570351690 /nfs/dbraw/zinc/35/16/90/570351690.db2.gz LRTZBNWXKCHSPK-DYVFJYSZSA-N 0 0 377.868 4.392 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000219319140 570354488 /nfs/dbraw/zinc/35/44/88/570354488.db2.gz YFIUTBIBVXUXQW-QGZVFWFLSA-N 0 0 385.851 4.172 40 0 GIABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219327984 570355043 /nfs/dbraw/zinc/35/50/43/570355043.db2.gz MBNIIVCNQULZRR-RTBURBONSA-N 0 0 387.451 4.410 40 0 GIABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219327916 570355071 /nfs/dbraw/zinc/35/50/71/570355071.db2.gz KHHGJNMYTPGXJN-RBUKOAKNSA-N 0 0 387.451 4.410 40 0 GIABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 ZINC000219333244 570355517 /nfs/dbraw/zinc/35/55/17/570355517.db2.gz PLLWCOHOLKTEBA-IBGZPJMESA-N 0 0 379.460 4.136 40 0 GIABRN CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O ZINC000006326937 570358419 /nfs/dbraw/zinc/35/84/19/570358419.db2.gz XHOBWLSCOFYDKX-WUXMJOGZSA-N 0 0 388.272 4.229 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 ZINC000219519163 570365293 /nfs/dbraw/zinc/36/52/93/570365293.db2.gz HILBJFXSBSRRMI-UZLBHIALSA-N 0 0 383.488 4.498 40 0 GIABRN COc1cccc(CN(Cc2ccco2)[C@@H](c2nnnn2C(C)(C)C)C(C)C)c1 ZINC000057614199 570365888 /nfs/dbraw/zinc/36/58/88/570365888.db2.gz UXNXJUGKJHEUCT-HXUWFJFHSA-N 0 0 397.523 4.429 40 0 GIABRN Cc1ccc(O[C@@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)c(C)c1 ZINC000219536950 570366020 /nfs/dbraw/zinc/36/60/20/570366020.db2.gz YQPGZLOXTYZELI-AWEZNQCLSA-N 0 0 385.851 4.091 40 0 GIABRN Cc1ccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c(C)c1 ZINC000219538503 570366254 /nfs/dbraw/zinc/36/62/54/570366254.db2.gz OCUITOAVVWRHOA-HNNXBMFYSA-N 0 0 399.878 4.433 40 0 GIABRN CCC[C@H](c1nnnn1C1CCCC1)N1CCN(c2cccc(C)c2C)CC1 ZINC000057669566 570366579 /nfs/dbraw/zinc/36/65/79/570366579.db2.gz BNXVVCICDZOYHA-OAQYLSRUSA-N 0 0 382.556 4.068 40 0 GIABRN Cc1cc(C)cc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000219554426 570366679 /nfs/dbraw/zinc/36/66/79/570366679.db2.gz RVKZNEMXTKMCJP-HNNXBMFYSA-N 0 0 399.878 4.433 40 0 GIABRN CC[C@@H](c1nnnn1C1CCCCC1)N1CCN(c2cccc(C)c2C)CC1 ZINC000057669446 570366845 /nfs/dbraw/zinc/36/68/45/570366845.db2.gz OVHIYDBBXMTWOK-FQEVSTJZSA-N 0 0 382.556 4.068 40 0 GIABRN CCCC[C@@H](c1nnnn1C(C)(C)CC)N1CCN(c2ccccc2F)CC1 ZINC000057669924 570367416 /nfs/dbraw/zinc/36/74/16/570367416.db2.gz CKRACWACEKFQES-IBGZPJMESA-N 0 0 388.535 4.011 40 0 GIABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000219610327 570370980 /nfs/dbraw/zinc/37/09/80/570370980.db2.gz DRPQISDJJXNUJC-SFHVURJKSA-N 0 0 391.895 4.264 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2cccc(C)c2)no1 ZINC000219614672 570371351 /nfs/dbraw/zinc/37/13/51/570371351.db2.gz AVTPPQRFRCLCPG-QGZVFWFLSA-N 0 0 385.851 4.172 40 0 GIABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccccc1F ZINC000408621775 570371867 /nfs/dbraw/zinc/37/18/67/570371867.db2.gz NUUODMHWROJCLN-UHFFFAOYSA-N 0 0 397.269 4.032 40 0 GIABRN Cc1cccc(CCCNC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 ZINC000219682955 570372766 /nfs/dbraw/zinc/37/27/66/570372766.db2.gz YQZZTZQKLSDLGY-HNNXBMFYSA-N 0 0 376.294 4.274 40 0 GIABRN C[C@@H]1CCC[C@H](C)N1C(=O)NCCCCCCNC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000035196457 570374035 /nfs/dbraw/zinc/37/40/35/570374035.db2.gz HZMQHKCUGXITEE-FGYAAKKASA-N 0 0 394.604 4.492 40 0 GIABRN CC(C)(C)C(=O)NC(=S)Nc1cc(-c2nc3ncccc3o2)ccc1Cl ZINC000408626929 570379062 /nfs/dbraw/zinc/37/90/62/570379062.db2.gz JMXRLLZPLDYDJP-UHFFFAOYSA-N 0 0 388.880 4.402 40 0 GIABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)C(C)C ZINC000408627156 570379384 /nfs/dbraw/zinc/37/93/84/570379384.db2.gz KVALZFBFAKMWSW-UHFFFAOYSA-N 0 0 395.532 4.321 40 0 GIABRN CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC000006654540 570379824 /nfs/dbraw/zinc/37/98/24/570379824.db2.gz YZMYQUISSPUOEW-PTNGSMBKSA-N 0 0 380.897 4.025 40 0 GIABRN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O ZINC000220307551 570384847 /nfs/dbraw/zinc/38/48/47/570384847.db2.gz FNBKTTFBDNZLJG-OAHLLOKOSA-N 0 0 392.496 4.051 40 0 GIABRN CCc1cccc(C)c1NC(=O)[C@@H](CC)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220508363 570387414 /nfs/dbraw/zinc/38/74/14/570387414.db2.gz VJZSUDRCAPYBAX-LJQANCHMSA-N 0 0 388.533 4.049 40 0 GIABRN Cc1ccc(NC(=O)C[C@@H](c2cccs2)N2Cc3ccccc3C2=O)nc1 ZINC000032933577 570397287 /nfs/dbraw/zinc/39/72/87/570397287.db2.gz VKZUAHUELPDIPW-KRWDZBQOSA-N 0 0 377.469 4.177 40 0 GIABRN CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OC(C)C ZINC000006959038 570403029 /nfs/dbraw/zinc/40/30/29/570403029.db2.gz NJCVEOOFLCGTKH-DHDCSXOGSA-N 0 0 376.884 4.492 40 0 GIABRN Cc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000121300414 570405647 /nfs/dbraw/zinc/40/56/47/570405647.db2.gz ZXITYKCLNHQNTA-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 ZINC000222397215 570409642 /nfs/dbraw/zinc/40/96/42/570409642.db2.gz ZSECIUFWMDVDAQ-QHCPKHFHSA-N 0 0 394.559 4.486 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C ZINC000222402473 570409890 /nfs/dbraw/zinc/40/98/90/570409890.db2.gz RSHYFMWZIVYOCO-QHCPKHFHSA-N 0 0 394.559 4.486 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222488770 570412285 /nfs/dbraw/zinc/41/22/85/570412285.db2.gz PIOPBSWZLUHOPF-CQSZACIVSA-N 0 0 393.314 4.008 40 0 GIABRN C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(O)c(Br)c2)S1 ZINC000222582015 570415330 /nfs/dbraw/zinc/41/53/30/570415330.db2.gz BIWQGFPRHSJLBX-JQAFLVLXSA-N 0 0 390.306 4.139 40 0 GIABRN COc1cc(Cl)c([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC ZINC000222603461 570416414 /nfs/dbraw/zinc/41/64/14/570416414.db2.gz OEGBNFGSZGMKFW-PDSMFRHLSA-N 0 0 389.908 4.342 40 0 GIABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000222636449 570417800 /nfs/dbraw/zinc/41/78/00/570417800.db2.gz HUMRUWYPOZUKEB-KRWDZBQOSA-N 0 0 392.499 4.207 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1C ZINC000222660820 570419387 /nfs/dbraw/zinc/41/93/87/570419387.db2.gz ZWVIZWVXDJWTMH-LJQANCHMSA-N 0 0 380.532 4.178 40 0 GIABRN Cc1ccccc1CN(C(=O)CSc1ccccc1)[C@H](C)C(=O)NC(C)(C)C ZINC000222676331 570420088 /nfs/dbraw/zinc/42/00/88/570420088.db2.gz CRWMHQHZYXOJQH-GOSISDBHSA-N 0 0 398.572 4.419 40 0 GIABRN COc1cccc(-c2noc(CNC(=O)CCc3cccc4ccccc43)n2)c1 ZINC000222679226 570420423 /nfs/dbraw/zinc/42/04/23/570420423.db2.gz FVYPXJOTHFIBBR-UHFFFAOYSA-N 0 0 387.439 4.147 40 0 GIABRN CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000222744726 570423409 /nfs/dbraw/zinc/42/34/09/570423409.db2.gz WJGDIIIVWIXRIW-CYBMUJFWSA-N 0 0 379.287 4.047 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 ZINC000222777591 570425226 /nfs/dbraw/zinc/42/52/26/570425226.db2.gz GTNCPPKTHRKVIG-AWEZNQCLSA-N 0 0 393.314 4.008 40 0 GIABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)c(C)c1 ZINC000222799543 570426474 /nfs/dbraw/zinc/42/64/74/570426474.db2.gz CMVNWZUOGGLYCH-SFTDATJTSA-N 0 0 376.529 4.482 40 0 GIABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000222824805 570427951 /nfs/dbraw/zinc/42/79/51/570427951.db2.gz BMVOCBIQZCNSQM-MRXNPFEDSA-N 0 0 376.928 4.474 40 0 GIABRN O=C(Nc1ccc(O)cc1)C1=CC[C@@H](OC(F)(F)[C@@H](F)C(F)(F)F)C=C1 ZINC000026787324 570428896 /nfs/dbraw/zinc/42/88/96/570428896.db2.gz CKDGHWXCDBMQOS-JSGCOSHPSA-N 0 0 381.272 4.095 40 0 GIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2nccs2)c1C ZINC000222862806 570429388 /nfs/dbraw/zinc/42/93/88/570429388.db2.gz HYIUVRCFBVZZOZ-ROUUACIJSA-N 0 0 397.573 4.328 40 0 GIABRN CC(C)CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000222922590 570431451 /nfs/dbraw/zinc/43/14/51/570431451.db2.gz LCRQWQSPRVDBKU-LJQANCHMSA-N 0 0 398.522 4.338 40 0 GIABRN COc1ccc(C(=O)NCCCNc2ccnc3cc(Cl)ccc32)cc1OC ZINC000222934505 570432071 /nfs/dbraw/zinc/43/20/71/570432071.db2.gz IULXKMWYZNZNOO-UHFFFAOYSA-N 0 0 399.878 4.137 40 0 GIABRN Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccccc3)N(c3ccccc3)O[C@@H]2C1=O ZINC000101178825 570433077 /nfs/dbraw/zinc/43/30/77/570433077.db2.gz GKRZWPGGLFLQQA-FSSWDIPSSA-N 0 0 384.435 4.046 40 0 GIABRN Cc1cccc(C)c1N1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O ZINC000007928357 570433090 /nfs/dbraw/zinc/43/30/90/570433090.db2.gz LFUMJQIWNDUIHK-CQSZACIVSA-N 0 0 376.378 4.314 40 0 GIABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1cccnc1 ZINC000222957659 570433117 /nfs/dbraw/zinc/43/31/17/570433117.db2.gz XCLRTNOWMQMTID-RTWAWAEBSA-N 0 0 391.544 4.348 40 0 GIABRN Cc1cc(C)cc(N2C[C@@H](C(=O)Oc3ccc(Br)cc3)CC2=O)c1 ZINC000007929132 570433141 /nfs/dbraw/zinc/43/31/41/570433141.db2.gz YADPIFYCJFONFJ-AWEZNQCLSA-N 0 0 388.261 4.024 40 0 GIABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000222974131 570434374 /nfs/dbraw/zinc/43/43/74/570434374.db2.gz NXJBNHRJNGLYLL-GOSISDBHSA-N 0 0 379.460 4.169 40 0 GIABRN CC(C)c1nc(Cc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)no1 ZINC000222985981 570435054 /nfs/dbraw/zinc/43/50/54/570435054.db2.gz VDGWUPHNVVKTSY-UHFFFAOYSA-N 0 0 391.880 4.238 40 0 GIABRN C[C@@H](OC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000005359249 570435141 /nfs/dbraw/zinc/43/51/41/570435141.db2.gz HWBFZRFLNVYRDS-FXPVBKGRSA-N 0 0 393.698 4.282 40 0 GIABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000222990081 570435468 /nfs/dbraw/zinc/43/54/68/570435468.db2.gz DUJFWCROBQXUBM-OAQYLSRUSA-N 0 0 381.516 4.325 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000222995095 570435770 /nfs/dbraw/zinc/43/57/70/570435770.db2.gz NJNPHVWOYWZXFC-HXUWFJFHSA-N 0 0 380.532 4.180 40 0 GIABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000222998660 570436054 /nfs/dbraw/zinc/43/60/54/570436054.db2.gz PXSCFYPXXCVKRQ-HXUWFJFHSA-N 0 0 385.504 4.227 40 0 GIABRN Cc1cccc(C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2)c1 ZINC000007940000 570437247 /nfs/dbraw/zinc/43/72/47/570437247.db2.gz MNLKMZMEXBMHMA-UHFFFAOYSA-N 0 0 382.641 4.206 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1C ZINC000223014989 570437252 /nfs/dbraw/zinc/43/72/52/570437252.db2.gz LASUDGQISJWLLW-OAQYLSRUSA-N 0 0 398.572 4.090 40 0 GIABRN CSc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)C(C)C ZINC000223067775 570441182 /nfs/dbraw/zinc/44/11/82/570441182.db2.gz UYLWWYRQJBVQMB-UHFFFAOYSA-N 0 0 398.937 4.457 40 0 GIABRN COc1ccc(OCCCC(=O)Nc2nnc(SCC(C)C)s2)cc1 ZINC000223085071 570442094 /nfs/dbraw/zinc/44/20/94/570442094.db2.gz GOAVSXDJJDOGBU-UHFFFAOYSA-N 0 0 381.523 4.093 40 0 GIABRN CCCCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(C)(C)C ZINC000027823511 570443849 /nfs/dbraw/zinc/44/38/49/570443849.db2.gz CCDJUFMJMZTKHN-UHFFFAOYSA-N 0 0 376.522 4.037 40 0 GIABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000223118173 570444632 /nfs/dbraw/zinc/44/46/32/570444632.db2.gz FNRCDOOKFXCGQN-NRFANRHFSA-N 0 0 386.923 4.072 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 ZINC000223142908 570446731 /nfs/dbraw/zinc/44/67/31/570446731.db2.gz FUQJYBJRNYORCS-FQEVSTJZSA-N 0 0 380.532 4.180 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223178373 570448093 /nfs/dbraw/zinc/44/80/93/570448093.db2.gz IOGDKKBZUQBTPH-GOSISDBHSA-N 0 0 393.314 4.089 40 0 GIABRN COc1ccc(CCCNS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000223195379 570448988 /nfs/dbraw/zinc/44/89/88/570448988.db2.gz CTBLQYRKISFYCE-UHFFFAOYSA-N 0 0 391.533 4.047 40 0 GIABRN CC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1OC)c1ccc(OC)c(C)c1 ZINC000223193442 570449114 /nfs/dbraw/zinc/44/91/14/570449114.db2.gz FHNGRXSIRAWXSU-HGZMWJMZSA-N 0 0 399.487 4.310 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1F ZINC000223224010 570451015 /nfs/dbraw/zinc/45/10/15/570451015.db2.gz PCCCUVLSLQFPDF-OAQYLSRUSA-N 0 0 398.522 4.399 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223270099 570454731 /nfs/dbraw/zinc/45/47/31/570454731.db2.gz IURJPHFIJRDICS-LJQANCHMSA-N 0 0 398.522 4.319 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccc(OC)cc1 ZINC000223293062 570456658 /nfs/dbraw/zinc/45/66/58/570456658.db2.gz PVLFMGBUEBANKC-HSZRJFAPSA-N 0 0 381.516 4.480 40 0 GIABRN CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1NC(C)=O ZINC000223318727 570458211 /nfs/dbraw/zinc/45/82/11/570458211.db2.gz BPHNPQXLBTURBB-AWEZNQCLSA-N 0 0 392.546 4.023 40 0 GIABRN COc1cc(C)c([C@H](C)NS(=O)(=O)Cc2ccccc2F)cc1C(C)C ZINC000223323560 570458541 /nfs/dbraw/zinc/45/85/41/570458541.db2.gz ORJXKPVSXYCVKU-HNNXBMFYSA-N 0 0 379.497 4.447 40 0 GIABRN CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C ZINC000223341175 570459976 /nfs/dbraw/zinc/45/99/76/570459976.db2.gz RESWMCREVSDNMH-VQTJNVASSA-N 0 0 380.517 4.286 40 0 GIABRN COC(=O)c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 ZINC000226361283 570460838 /nfs/dbraw/zinc/46/08/38/570460838.db2.gz JVVMUNVIRUTQCF-UHFFFAOYSA-N 0 0 385.641 4.477 40 0 GIABRN COc1cc(OC)cc(C(=O)NCCSCc2c(F)cccc2Cl)c1 ZINC000008108148 570466024 /nfs/dbraw/zinc/46/60/24/570466024.db2.gz XEXUNCWDNYRICA-UHFFFAOYSA-N 0 0 383.872 4.160 40 0 GIABRN COc1cc2c(cc1S(=O)(=O)Nc1ccccc1Br)CCCC2 ZINC000223680509 570478380 /nfs/dbraw/zinc/47/83/80/570478380.db2.gz SHLSOFHZUBDMNC-UHFFFAOYSA-N 0 0 396.306 4.137 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 ZINC000223710637 570480687 /nfs/dbraw/zinc/48/06/87/570480687.db2.gz YXXWJCOHFDFFTQ-QGZVFWFLSA-N 0 0 386.923 4.134 40 0 GIABRN COc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C ZINC000223736505 570482216 /nfs/dbraw/zinc/48/22/16/570482216.db2.gz VUXRYACDVVWEDV-ZWKOTPCHSA-N 0 0 385.504 4.478 40 0 GIABRN COc1ccccc1OC[C@H](C)NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C ZINC000223736622 570482304 /nfs/dbraw/zinc/48/23/04/570482304.db2.gz VUXRYACDVVWEDV-ROUUACIJSA-N 0 0 385.504 4.478 40 0 GIABRN Cc1nnc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)s1 ZINC000000801931 570482851 /nfs/dbraw/zinc/48/28/51/570482851.db2.gz BDZFYWSXTTUXLH-UHFFFAOYSA-N 0 0 382.923 4.354 40 0 GIABRN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccccc1N1CCCCC1 ZINC000006615719 570484950 /nfs/dbraw/zinc/48/49/50/570484950.db2.gz KYYKVJPCAMCZRN-UHFFFAOYSA-N 0 0 387.936 4.386 40 0 GIABRN O=C1c2ccc(F)cc2C(=O)N1c1ccc(Br)cc1Br ZINC000000828446 570485526 /nfs/dbraw/zinc/48/55/26/570485526.db2.gz AVYPZMJJLYXEDL-UHFFFAOYSA-N 0 0 399.013 4.151 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1C ZINC000030849194 570498201 /nfs/dbraw/zinc/49/82/01/570498201.db2.gz OMJRQMZMJATRMS-QFIPXVFZSA-N 0 0 381.497 4.380 40 0 GIABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)c(Cl)c1 ZINC000030849202 570498309 /nfs/dbraw/zinc/49/83/09/570498309.db2.gz IFXUISQXPLEHIQ-UHFFFAOYSA-N 0 0 393.679 4.271 40 0 GIABRN COC(=O)c1c(C)c(C(=O)Nc2cccc(C)c2)sc1NC(=O)c1ccco1 ZINC000000872091 570503045 /nfs/dbraw/zinc/50/30/45/570503045.db2.gz PCZBEPFFFKVTBQ-UHFFFAOYSA-N 0 0 398.440 4.249 40 0 GIABRN CCNC(=S)N(Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000878739 570505600 /nfs/dbraw/zinc/50/56/00/570505600.db2.gz YBLVQBGLOJNTCK-UHFFFAOYSA-N 0 0 379.529 4.042 40 0 GIABRN CCCCC(=O)Nc1ccc(NC(=O)COc2ccc(CC)cc2)cc1OC ZINC000032114855 570509141 /nfs/dbraw/zinc/50/91/41/570509141.db2.gz MFRURIHMJINNFN-UHFFFAOYSA-N 0 0 384.476 4.404 40 0 GIABRN CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2)nnc1-c1ccc(O)cc1 ZINC000000886722 570510932 /nfs/dbraw/zinc/51/09/32/570510932.db2.gz QHNGUWIHTAKWLD-AWEZNQCLSA-N 0 0 382.489 4.098 40 0 GIABRN COc1ccc(NC(=O)CSc2ncnc3sc(C)c(C)c32)c(OC)c1 ZINC000000888535 570511213 /nfs/dbraw/zinc/51/12/13/570511213.db2.gz VENKEJPHULQMOI-UHFFFAOYSA-N 0 0 389.502 4.056 40 0 GIABRN O=C(NCCSc1ccc(Cl)cc1)C1(c2ccccc2)CCOCC1 ZINC000032712014 570512991 /nfs/dbraw/zinc/51/29/91/570512991.db2.gz RHKCZGRNUZACMR-UHFFFAOYSA-N 0 0 375.921 4.297 40 0 GIABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCCOc1ccc(OC)cc1 ZINC000224456761 570513904 /nfs/dbraw/zinc/51/39/04/570513904.db2.gz CKHSYWHCBQGZPH-NRFANRHFSA-N 0 0 379.456 4.201 40 0 GIABRN Cc1cccc(NC(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@@H]3C2(C)C)c1C ZINC000000907386 570517427 /nfs/dbraw/zinc/51/74/27/570517427.db2.gz QNWKMDHFKUGZAL-LHSJRXKWSA-N 0 0 382.533 4.394 40 0 GIABRN COc1cc(-c2nnc(-c3ccc(OCC(C)C)cc3)o2)cc(OC)c1OC ZINC000000907864 570517465 /nfs/dbraw/zinc/51/74/65/570517465.db2.gz DAHGLUVZHUHCDH-UHFFFAOYSA-N 0 0 384.432 4.464 40 0 GIABRN CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000224698211 570525231 /nfs/dbraw/zinc/52/52/31/570525231.db2.gz OGDUUBWYZXGERX-UHFFFAOYSA-N 0 0 381.881 4.040 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(CC)cc1 ZINC000224697967 570525417 /nfs/dbraw/zinc/52/54/17/570525417.db2.gz XKUJZGVHBHLINP-FQEVSTJZSA-N 0 0 394.559 4.434 40 0 GIABRN CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000224733864 570527827 /nfs/dbraw/zinc/52/78/27/570527827.db2.gz FELNHUUSEYPBNN-UHFFFAOYSA-N 0 0 378.650 4.067 40 0 GIABRN CCc1cccc(C)c1NC(=O)CSc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000001368233 570538785 /nfs/dbraw/zinc/53/87/85/570538785.db2.gz WIFXJVCIBGDMRC-UHFFFAOYSA-N 0 0 387.530 4.203 40 0 GIABRN CCNC(=S)N(Cc1ccccc1)Cc1cc2cc(C)c(Cl)cc2[nH]c1=O ZINC000000931553 570540709 /nfs/dbraw/zinc/54/07/09/570540709.db2.gz KMCXTGMNUBOZQQ-UHFFFAOYSA-N 0 0 399.947 4.387 40 0 GIABRN Cc1cc(C)cc(NC(=O)CSc2nnc(COc3ccccc3C)n2C)c1 ZINC000000933577 570542748 /nfs/dbraw/zinc/54/27/48/570542748.db2.gz ZYZVTTHIMSTDKN-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN COc1ccccc1[C@H](OC(=O)c1cccs1)C(=O)NCc1cccs1 ZINC000035289907 570551059 /nfs/dbraw/zinc/55/10/59/570551059.db2.gz LCLHCWOOPRFDEI-KRWDZBQOSA-N 0 0 387.482 4.033 40 0 GIABRN Cc1nc(NC(=O)c2sc3nc4cc5c(cc4cc3c2N)OCO5)sc1C ZINC000035315028 570551599 /nfs/dbraw/zinc/55/15/99/570551599.db2.gz VLZIXTHSISUWRG-UHFFFAOYSA-N 0 0 398.469 4.086 40 0 GIABRN CCOc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)c1 ZINC000225202680 570555840 /nfs/dbraw/zinc/55/58/40/570555840.db2.gz FHEXJSAFSYQFQQ-QNGOZBTKSA-N 0 0 390.439 4.396 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000225213676 570556674 /nfs/dbraw/zinc/55/66/74/570556674.db2.gz UZVINFQYSTTZOF-ZWKOTPCHSA-N 0 0 384.495 4.090 40 0 GIABRN CCc1ccc([C@H](C)NC(=O)c2ccc(I)cc2)cc1 ZINC000070134358 570556891 /nfs/dbraw/zinc/55/68/91/570556891.db2.gz HEIJDZIXCRQMPY-LBPRGKRZSA-N 0 0 379.241 4.345 40 0 GIABRN O=C(Nc1c(Cl)cccc1Cl)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036171691 570556843 /nfs/dbraw/zinc/55/68/43/570556843.db2.gz HIGDDCXVYJCGQS-UHFFFAOYSA-N 0 0 377.271 4.484 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=S)NCCSCc2ccccc2)c1 ZINC000225290874 570562024 /nfs/dbraw/zinc/56/20/24/570562024.db2.gz AJBVAVCCTSTMLI-UHFFFAOYSA-N 0 0 388.558 4.392 40 0 GIABRN COC(=O)c1cccc(NC(=S)NCCSCc2ccc(C)cc2)c1C ZINC000225293188 570562634 /nfs/dbraw/zinc/56/26/34/570562634.db2.gz XHWGYUJKLRQQFO-UHFFFAOYSA-N 0 0 388.558 4.310 40 0 GIABRN COc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000225292997 570562638 /nfs/dbraw/zinc/56/26/38/570562638.db2.gz YNFVGJKGKRONOI-HSZRJFAPSA-N 0 0 389.499 4.364 40 0 GIABRN Cc1ccc2cc(CN(C(=S)NCc3ccco3)C3CCCC3)c(=O)[nH]c2c1 ZINC000001224244 570565423 /nfs/dbraw/zinc/56/54/23/570565423.db2.gz HZWSSCFKZCADJV-UHFFFAOYSA-N 0 0 395.528 4.249 40 0 GIABRN Cc1ccc(C(=O)N(CC(=O)NC2CCCC2)c2cccc(Cl)c2)s1 ZINC000001330230 570568006 /nfs/dbraw/zinc/56/80/06/570568006.db2.gz FNFZEFGCSUWSHW-UHFFFAOYSA-N 0 0 376.909 4.416 40 0 GIABRN CN(CCO)c1cc(-c2ccccc2)nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000001341287 570571032 /nfs/dbraw/zinc/57/10/32/570571032.db2.gz ULKSGBPGOCZVIF-UHFFFAOYSA-N 0 0 378.863 4.145 40 0 GIABRN O=C(O[C@@H](C(=O)NCc1cccs1)c1ccccc1Cl)c1ccco1 ZINC000001341806 570571099 /nfs/dbraw/zinc/57/10/99/570571099.db2.gz LPNAQQDGUDGMSF-MRXNPFEDSA-N 0 0 375.833 4.209 40 0 GIABRN CCc1ccccc1NC(=O)[C@H]1CCCN1C(=O)Nc1cccc(C(C)=O)c1 ZINC000001343600 570571828 /nfs/dbraw/zinc/57/18/28/570571828.db2.gz FPUHEIUXYVZBHJ-HXUWFJFHSA-N 0 0 379.460 4.087 40 0 GIABRN CCN(C(=O)c1cccc(OC)c1OC)c1nnc(-c2cccc(C)c2)s1 ZINC000001345404 570572139 /nfs/dbraw/zinc/57/21/39/570572139.db2.gz SFBUKZTUIWVKGT-UHFFFAOYSA-N 0 0 383.473 4.197 40 0 GIABRN COc1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1 ZINC000001354083 570573758 /nfs/dbraw/zinc/57/37/58/570573758.db2.gz XGDHNEVUENAYQY-UHFFFAOYSA-N 0 0 383.835 4.203 40 0 GIABRN Cc1occc1-c1nnc(SCC(=O)NC(C)(C)C)n1-c1cccc(C)c1 ZINC000001361166 570576152 /nfs/dbraw/zinc/57/61/52/570576152.db2.gz WFYGLKLQITZLJL-UHFFFAOYSA-N 0 0 384.505 4.151 40 0 GIABRN COc1ccc(-c2noc([C@H]3CCCN(C(=O)c4cccc(C)c4)C3)n2)cc1 ZINC000001362696 570576770 /nfs/dbraw/zinc/57/67/70/570576770.db2.gz BBGVOQGSYYDXPE-SFHVURJKSA-N 0 0 377.444 4.073 40 0 GIABRN COc1ccc(-c2noc([C@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)n2)cc1 ZINC000001362725 570576893 /nfs/dbraw/zinc/57/68/93/570576893.db2.gz OFWTUYXRKZHIJN-INIZCTEOSA-N 0 0 397.862 4.418 40 0 GIABRN Cc1nc2ccc(NC(=O)C(C)(C)C)cc2c(=O)n1Cc1ccc(Cl)cc1 ZINC000001363166 570577281 /nfs/dbraw/zinc/57/72/81/570577281.db2.gz VOGLSLWFOWLQAH-UHFFFAOYSA-N 0 0 383.879 4.391 40 0 GIABRN CC(C)[C@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC1CCCCC1 ZINC000001381296 570583879 /nfs/dbraw/zinc/58/38/79/570583879.db2.gz PMPFVFAVUHMQAY-LBPRGKRZSA-N 0 0 379.309 4.080 40 0 GIABRN COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccc(F)cc1 ZINC000002410624 570589224 /nfs/dbraw/zinc/58/92/24/570589224.db2.gz PQNBYCABHFNLBR-UNWVZKJWSA-N 0 0 383.463 4.343 40 0 GIABRN COc1ccc2c(c1)CC[C@@H]1[C@H]3CCC(OC(C)=O)(OC(C)=O)[C@@]3(C)CC[C@H]21 ZINC000004026637 570613451 /nfs/dbraw/zinc/61/34/51/570613451.db2.gz LMOAKIHOZGZJJD-MBDNFAEBSA-N 0 0 386.488 4.374 40 0 GIABRN CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)NC(C)(C)C ZINC000004161345 570619901 /nfs/dbraw/zinc/61/99/01/570619901.db2.gz XKOLSXSQSFVCRJ-UHFFFAOYSA-N 0 0 398.532 4.037 40 0 GIABRN Cc1nnc(SCC(=O)Nc2cccc(C)c2C)n1CCc1ccccc1 ZINC000004165577 570621155 /nfs/dbraw/zinc/62/11/55/570621155.db2.gz VILZJDOISCAMDN-UHFFFAOYSA-N 0 0 380.517 4.177 40 0 GIABRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)COC(=O)/C=C/c1ccc(C(F)(F)F)cc1 ZINC000004779051 570633085 /nfs/dbraw/zinc/63/30/85/570633085.db2.gz CNIVVOBIMPWAMH-UHAUDPEFSA-N 0 0 383.410 4.203 40 0 GIABRN O=C(CCc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2F)CC1 ZINC000044596448 570633585 /nfs/dbraw/zinc/63/35/85/570633585.db2.gz UTGKPISNZOYQNT-UHFFFAOYSA-N 0 0 381.278 4.414 40 0 GIABRN Cc1cccc(C(=O)NCCNc2nc(C)nc3sc4c(c32)CCCC4)c1 ZINC000004848564 570634887 /nfs/dbraw/zinc/63/48/87/570634887.db2.gz CQQWPMZAJDXMNU-UHFFFAOYSA-N 0 0 380.517 4.029 40 0 GIABRN COCCN(C(=O)CCC1CCCC1)c1nnc(-c2ccc(F)cc2)s1 ZINC000004880394 570642128 /nfs/dbraw/zinc/64/21/28/570642128.db2.gz HOHCXSWNASDKQG-UHFFFAOYSA-N 0 0 377.485 4.294 40 0 GIABRN COC(=O)c1ccc(/C=C2/SC(=O)N(CNc3cc(C)ccc3C)C2=O)cc1 ZINC000059379342 570655752 /nfs/dbraw/zinc/65/57/52/570655752.db2.gz LJOCJEYRXXJSIG-WOJGMQOQSA-N 0 0 396.468 4.196 40 0 GIABRN C[C@@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)[C@H](C)C1 ZINC000005043619 570658186 /nfs/dbraw/zinc/65/81/86/570658186.db2.gz XYFJGNDRIGZIKX-JXFSHQFZSA-N 0 0 396.413 4.397 40 0 GIABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(I)cc2C)c1 ZINC000064981751 570664552 /nfs/dbraw/zinc/66/45/52/570664552.db2.gz OKIZCTVITJWJLO-CYBMUJFWSA-N 0 0 395.240 4.314 40 0 GIABRN COc1ccc(NC(=O)CN2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000005625625 570665389 /nfs/dbraw/zinc/66/53/89/570665389.db2.gz BYTVTODOCFSATD-UHFFFAOYSA-N 0 0 398.894 4.043 40 0 GIABRN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)cs2)c(C)c1 ZINC000006680750 570674779 /nfs/dbraw/zinc/67/47/79/570674779.db2.gz RUJOPEVDSKQSFD-UHFFFAOYSA-N 0 0 392.546 4.182 40 0 GIABRN O=C(Nc1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCCCCC2)cs1 ZINC000006680762 570674935 /nfs/dbraw/zinc/67/49/35/570674935.db2.gz JSYXKYLDXGHVCG-UHFFFAOYSA-N 0 0 398.937 4.219 40 0 GIABRN Cc1cccc(NC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C2CCCC2)c1 ZINC000008577818 570681009 /nfs/dbraw/zinc/68/10/09/570681009.db2.gz SUJQLRSDTLZSLQ-UHFFFAOYSA-N 0 0 376.460 4.208 40 0 GIABRN CCNC(=S)Nc1cc(OCC)c(NC(=O)c2cccs2)cc1OCC ZINC000008685865 570681465 /nfs/dbraw/zinc/68/14/65/570681465.db2.gz LFCOEQGAPUUBFT-UHFFFAOYSA-N 0 0 393.534 4.104 40 0 GIABRN O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)N1CCCCC1 ZINC000408772579 570682400 /nfs/dbraw/zinc/68/24/00/570682400.db2.gz DBGRSRFZTASENL-JOCHJYFZSA-N 0 0 380.513 4.087 40 0 GIABRN COc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c(OC)c1C ZINC000409053045 570695655 /nfs/dbraw/zinc/69/56/55/570695655.db2.gz WPNQLLRQVDIYLY-AQTBWJFISA-N 0 0 399.468 4.128 40 0 GIABRN Cc1cc(N2CCCC[C@H]2C)nc(NC(=S)NCc2ccc(Cl)cc2)n1 ZINC000260707763 570699716 /nfs/dbraw/zinc/69/97/16/570699716.db2.gz BSEGTKPJHPPMQO-CQSZACIVSA-N 0 0 389.956 4.304 40 0 GIABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1c2ccccc2C[C@H]1C ZINC000260743598 570701488 /nfs/dbraw/zinc/70/14/88/570701488.db2.gz MMNUGYOSXMYOAB-RTBURBONSA-N 0 0 392.543 4.290 40 0 GIABRN Cc1occc1-c1nc(NCCc2ccc(F)cc2)ncc1-c1cnccn1 ZINC000012739443 570707145 /nfs/dbraw/zinc/70/71/45/570707145.db2.gz AFSOPMGXKQDROU-UHFFFAOYSA-N 0 0 375.407 4.296 40 0 GIABRN O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1CNc1ccccc1Cl ZINC000001514222 570715838 /nfs/dbraw/zinc/71/58/38/570715838.db2.gz ASLRWTOJYKHNPD-LZYBPNLTSA-N 0 0 388.832 4.175 40 0 GIABRN Cc1ccc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 ZINC000005204093 570731771 /nfs/dbraw/zinc/73/17/71/570731771.db2.gz LSGFERGDAPQUKS-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3Cl)o2)c1 ZINC000005294563 570732538 /nfs/dbraw/zinc/73/25/38/570732538.db2.gz NVRDFJKIMFJJKN-UHFFFAOYSA-N 0 0 389.864 4.341 40 0 GIABRN CC(C)N(C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1)C(C)C ZINC000005887876 570735786 /nfs/dbraw/zinc/73/57/86/570735786.db2.gz BXYLCTSUKWBTCY-UHFFFAOYSA-N 0 0 395.532 4.067 40 0 GIABRN O=C(Cc1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000005936445 570736725 /nfs/dbraw/zinc/73/67/25/570736725.db2.gz AZWZIEDTUSTRDA-UHFFFAOYSA-N 0 0 382.813 4.250 40 0 GIABRN Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)s1 ZINC000006473029 570743716 /nfs/dbraw/zinc/74/37/16/570743716.db2.gz MCBBZZCVZZKSAQ-CXUHLZMHSA-N 0 0 386.498 4.348 40 0 GIABRN Cc1c(C=O)c2ccccc2n1CC(=O)Nc1ccc(Br)c(C)c1 ZINC000006545932 570746832 /nfs/dbraw/zinc/74/68/32/570746832.db2.gz DTSCYULPMFYZCX-UHFFFAOYSA-N 0 0 385.261 4.472 40 0 GIABRN CCCC1=Nc2ncnn2[C@H](c2ccc(Cl)cc2Cl)C1C(=O)OCC ZINC000006634935 570748632 /nfs/dbraw/zinc/74/86/32/570748632.db2.gz TZJFZJQTNPTJCA-OAHLLOKOSA-N 0 0 381.263 4.217 40 0 GIABRN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000006707098 570749379 /nfs/dbraw/zinc/74/93/79/570749379.db2.gz QXAHVLRPVQMENO-JOCHJYFZSA-N 0 0 388.467 4.413 40 0 GIABRN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)[C@H]4CC=CCC4)C3)cc2n1 ZINC000013225509 570750556 /nfs/dbraw/zinc/75/05/56/570750556.db2.gz YGCSCBLIDJCXOY-LSDHHAIUSA-N 0 0 392.425 4.119 40 0 GIABRN COc1cc(Cc2nccc3cc(OC)c(OC)cc32)c(C(C)=O)c(OC)c1 ZINC000013281560 570752597 /nfs/dbraw/zinc/75/25/97/570752597.db2.gz FQKFQKKIOVMQHG-UHFFFAOYSA-N 0 0 381.428 4.063 40 0 GIABRN CCCCn1nnnc1NCc1cccc(OCC)c1OCc1ccccc1 ZINC000007262210 570757319 /nfs/dbraw/zinc/75/73/19/570757319.db2.gz TYTWECUJWPGCGD-UHFFFAOYSA-N 0 0 381.480 4.063 40 0 GIABRN CCCCn1nnnc1NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000007262182 570757337 /nfs/dbraw/zinc/75/73/37/570757337.db2.gz PKSFISYLTROAQY-UHFFFAOYSA-N 0 0 376.258 4.108 40 0 GIABRN Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000007399645 570758732 /nfs/dbraw/zinc/75/87/32/570758732.db2.gz UNOSPLOUICFREN-AWEZNQCLSA-N 0 0 376.378 4.314 40 0 GIABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000007504804 570759920 /nfs/dbraw/zinc/75/99/20/570759920.db2.gz YCKZACNLUHJDOI-CQSZACIVSA-N 0 0 379.287 4.110 40 0 GIABRN COc1cc(CNn2c(C)n[nH]c2=S)ccc1OCc1ccc(Cl)cc1 ZINC000007602668 570761336 /nfs/dbraw/zinc/76/13/36/570761336.db2.gz WTSJGHDMEHHJKM-UHFFFAOYSA-N 0 0 390.896 4.234 40 0 GIABRN COc1ccccc1N1CCN(C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000013610638 570762420 /nfs/dbraw/zinc/76/24/20/570762420.db2.gz XHKPNVBTQFVKSW-UHFFFAOYSA-N 0 0 395.450 4.233 40 0 GIABRN Cc1[nH]c2nn(-c3ccccc3)c(=O)c-2c(O)c1Cc1ccc(C(C)(C)C)cc1 ZINC000008020740 570764910 /nfs/dbraw/zinc/76/49/10/570764910.db2.gz IJDKWRYIGOGGAW-UHFFFAOYSA-N 0 0 387.483 4.204 40 0 GIABRN O=C(Nc1ccc(Br)cc1Cl)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000008216670 570765374 /nfs/dbraw/zinc/76/53/74/570765374.db2.gz QEHCBUWPTFPSAO-LLVKDONJSA-N 0 0 393.668 4.094 40 0 GIABRN Cc1ccc(S(=O)(=O)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000008318132 570767676 /nfs/dbraw/zinc/76/76/76/570767676.db2.gz IVBXVBFFRRQQTG-UHFFFAOYSA-N 0 0 391.798 4.080 40 0 GIABRN O=S(=O)(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(F)cc1 ZINC000013669123 570769812 /nfs/dbraw/zinc/76/98/12/570769812.db2.gz IZUXBPMXPPAXFT-UHFFFAOYSA-N 0 0 389.423 4.022 40 0 GIABRN O=S(=O)(NCCCc1ccccc1Cl)c1ccc(Br)s1 ZINC000013668947 570770034 /nfs/dbraw/zinc/77/00/34/570770034.db2.gz OGCQATIIMLZMNV-UHFFFAOYSA-N 0 0 394.743 4.075 40 0 GIABRN COc1ccc(Cc2nnc(SCCCOc3ccc(C=O)cc3)o2)cc1 ZINC000008731664 570771664 /nfs/dbraw/zinc/77/16/64/570771664.db2.gz KVFZGDSHWTULKJ-UHFFFAOYSA-N 0 0 384.457 4.043 40 0 GIABRN Cc1cccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c1 ZINC000013675150 570771759 /nfs/dbraw/zinc/77/17/59/570771759.db2.gz TZLRGZPEHDKXKF-UHFFFAOYSA-N 0 0 394.496 4.034 40 0 GIABRN CC(C)OC(=O)c1ccc2nc(NC(=O)COc3ccccc3F)sc2c1 ZINC000008903759 570773374 /nfs/dbraw/zinc/77/33/74/570773374.db2.gz RQVQLVGTLAWXCN-UHFFFAOYSA-N 0 0 388.420 4.018 40 0 GIABRN O=S(=O)(Cc1c(Cl)cccc1Cl)NCCSCc1ccccc1 ZINC000013682062 570773472 /nfs/dbraw/zinc/77/34/72/570773472.db2.gz FILYOFGHMSDEEG-UHFFFAOYSA-N 0 0 390.357 4.346 40 0 GIABRN CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2ccccc21 ZINC000013685474 570774236 /nfs/dbraw/zinc/77/42/36/570774236.db2.gz IQFNVAVRVOZJCI-MRXNPFEDSA-N 0 0 376.456 4.386 40 0 GIABRN COCc1ccnc(SCc2nc3cc(OC(F)F)ccc3[nH]2)c1COC ZINC000021986055 570776589 /nfs/dbraw/zinc/77/65/89/570776589.db2.gz AGBBFXSZYHUQGM-UHFFFAOYSA-N 0 0 395.431 4.144 40 0 GIABRN CC[C@H](C(=O)Nc1cc(C)cc(C)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711953 570777873 /nfs/dbraw/zinc/77/78/73/570777873.db2.gz HOSGQTCFGKANTG-GOSISDBHSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@H](C(=O)Nc1ccc(C)cc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714112 570778407 /nfs/dbraw/zinc/77/84/07/570778407.db2.gz JEBGZRYLBLDDCN-GOSISDBHSA-N 0 0 394.924 4.140 40 0 GIABRN CCc1ccc(NC(=O)[C@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000013714267 570778749 /nfs/dbraw/zinc/77/87/49/570778749.db2.gz CZUVPKDFBXSMJM-SFHVURJKSA-N 0 0 394.924 4.086 40 0 GIABRN CCc1ccccc1NC(=O)[C@@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716110 570779263 /nfs/dbraw/zinc/77/92/63/570779263.db2.gz IQTRHJIJUFNYCR-HXUWFJFHSA-N 0 0 388.533 4.049 40 0 GIABRN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(C(C)C)cc2)CC1 ZINC000010010364 570780229 /nfs/dbraw/zinc/78/02/29/570780229.db2.gz WACAOPHXEXGESZ-UHFFFAOYSA-N 0 0 399.922 4.384 40 0 GIABRN COc1ccc(OC)c(NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)c1 ZINC000170564508 570787839 /nfs/dbraw/zinc/78/78/39/570787839.db2.gz FBZLNXUFSALGLE-UHFFFAOYSA-N 0 0 378.432 4.107 40 0 GIABRN Cc1cc(C)c(S(=O)(=O)NCCCc2cccc(OC(C)C)c2)c(C)c1 ZINC000010543253 570791796 /nfs/dbraw/zinc/79/17/96/570791796.db2.gz WMWOIMSIBCBJJS-UHFFFAOYSA-N 0 0 375.534 4.310 40 0 GIABRN COc1ccc(S(=O)(=O)NCCCc2cccc(OC(C)C)c2)cc1Cl ZINC000010543268 570791945 /nfs/dbraw/zinc/79/19/45/570791945.db2.gz GHHJYNYNGPROKK-UHFFFAOYSA-N 0 0 397.924 4.047 40 0 GIABRN CCOc1ccc(N[C@@H](NC(=O)c2ccccc2)C(=O)c2cccs2)cc1 ZINC000026688641 570803063 /nfs/dbraw/zinc/80/30/63/570803063.db2.gz GYTAVTNHEVRCMO-FQEVSTJZSA-N 0 0 380.469 4.198 40 0 GIABRN CCOc1ccc(N[C@H](NC(=O)c2ccccc2)C(=O)c2cccs2)cc1 ZINC000026688647 570803231 /nfs/dbraw/zinc/80/32/31/570803231.db2.gz GYTAVTNHEVRCMO-HXUWFJFHSA-N 0 0 380.469 4.198 40 0 GIABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(I)cc1 ZINC000013994574 570813281 /nfs/dbraw/zinc/81/32/81/570813281.db2.gz NWYXXTYPBWZYSN-HNNXBMFYSA-N 0 0 395.240 4.396 40 0 GIABRN CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000014003360 570814398 /nfs/dbraw/zinc/81/43/98/570814398.db2.gz VXGLMTIGHOIMBQ-HXUWFJFHSA-N 0 0 392.455 4.314 40 0 GIABRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 ZINC000195529257 570842951 /nfs/dbraw/zinc/84/29/51/570842951.db2.gz PXNNOTNHODLLFS-AEEUIGNNSA-N 0 0 381.495 4.112 40 0 GIABRN Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000013583044 570851222 /nfs/dbraw/zinc/85/12/22/570851222.db2.gz HTSOFXDEAGYTJR-UHFFFAOYSA-N 0 0 386.517 4.155 40 0 GIABRN Cc1ccc(OCC(=O)Nc2nnc(SCc3ccccc3)s2)c(C)c1 ZINC000014582554 570851985 /nfs/dbraw/zinc/85/19/85/570851985.db2.gz KOXKUGSCPDSZRE-UHFFFAOYSA-N 0 0 385.514 4.465 40 0 GIABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000013991606 570869014 /nfs/dbraw/zinc/86/90/14/570869014.db2.gz DNHZIPGITQBCTL-GOSISDBHSA-N 0 0 388.467 4.331 40 0 GIABRN CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(I)cc1 ZINC000014013279 570875127 /nfs/dbraw/zinc/87/51/27/570875127.db2.gz XCWOOQFOUDWMDS-INIZCTEOSA-N 0 0 395.240 4.396 40 0 GIABRN CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1Cl ZINC000014068112 570876776 /nfs/dbraw/zinc/87/67/76/570876776.db2.gz YKWUODLQXVBXAT-UHFFFAOYSA-N 0 0 378.929 4.159 40 0 GIABRN Nc1nn(C(=O)CCc2ccc(F)cc2)c2nc(C(F)(F)F)cc(C3CC3)c12 ZINC000036614600 570885544 /nfs/dbraw/zinc/88/55/44/570885544.db2.gz YSJBYGGAIAUYRC-UHFFFAOYSA-N 0 0 392.356 4.322 40 0 GIABRN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 ZINC000015243167 570886261 /nfs/dbraw/zinc/88/62/61/570886261.db2.gz MBIZWNDDSONRJW-UHFFFAOYSA-N 0 0 399.299 4.093 40 0 GIABRN Cc1nn2c(nnc(C(=O)N3CCCCC3)c2C)c1-c1cccc2ccccc21 ZINC000014607673 570893711 /nfs/dbraw/zinc/89/37/11/570893711.db2.gz ILKHJHDXMXNXFC-UHFFFAOYSA-N 0 0 385.471 4.187 40 0 GIABRN COc1ccccc1-c1c(C)nn2c1nnc1c2C[C@@H](c2cccs2)CC1=O ZINC000014607719 570893784 /nfs/dbraw/zinc/89/37/84/570893784.db2.gz RGNJUMDCINOJFL-CYBMUJFWSA-N 0 0 390.468 4.083 40 0 GIABRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000015505084 570895602 /nfs/dbraw/zinc/89/56/02/570895602.db2.gz KNEPNGHQEURYII-CQSZACIVSA-N 0 0 376.909 4.296 40 0 GIABRN CC(C)(C)C(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)C2CCC2)c2nccs2)CC1 ZINC000257306408 570905411 /nfs/dbraw/zinc/90/54/11/570905411.db2.gz SUEPABAYXIJJMJ-BFYDXBDKSA-N 0 0 391.581 4.069 40 0 GIABRN Cc1cccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c1 ZINC000015398060 570905615 /nfs/dbraw/zinc/90/56/15/570905615.db2.gz VGLQLDQWKPQNMD-UHFFFAOYSA-N 0 0 394.496 4.137 40 0 GIABRN CCOC(=O)C1=C(C)NC(SCC(C)C)=N[C@H]1c1ccccc1OCC ZINC000033698930 570910729 /nfs/dbraw/zinc/91/07/29/570910729.db2.gz ZOGLCKPMGUHFIM-SFHVURJKSA-N 0 0 376.522 4.312 40 0 GIABRN O=C(NC[C@H]1CCC[C@H](CNC(=O)NC2CCCCC2)C1)NC1CCCCC1 ZINC000016137839 570915121 /nfs/dbraw/zinc/91/51/21/570915121.db2.gz CIQGCJUDSYLVNW-ROUUACIJSA-N 0 0 392.588 4.057 40 0 GIABRN Fc1ccc(N2CCN(C(=S)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000017078270 570917142 /nfs/dbraw/zinc/91/71/42/570917142.db2.gz GCAJBBMFYMNCHI-UHFFFAOYSA-N 0 0 383.414 4.364 40 0 GIABRN C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1nc(-c2cccs2)no1 ZINC000194167791 570943066 /nfs/dbraw/zinc/94/30/66/570943066.db2.gz NLBRINZLJSCOPT-CYBMUJFWSA-N 0 0 379.441 4.035 40 0 GIABRN CCC(CC)COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1Br ZINC000000828450 570946748 /nfs/dbraw/zinc/94/67/48/570946748.db2.gz UXAKHQIRYFHHFR-INIZCTEOSA-N 0 0 395.297 4.056 40 0 GIABRN CC1(C)CC(=O)C2=C(c3cc(C(F)(F)F)ccc3C(F)(F)F)NN[C@H]2C1 ZINC000228934930 570952041 /nfs/dbraw/zinc/95/20/41/570952041.db2.gz HKFUEVHXFSMLSS-WCQYABFASA-N 0 0 378.316 4.405 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)Cc1ccccc1 ZINC000019017500 570954458 /nfs/dbraw/zinc/95/44/58/570954458.db2.gz UJIJKCOGHOJLPU-ARNLJNQMSA-N 0 0 390.527 4.015 40 0 GIABRN C[C@@H](C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1)n1ccnc1 ZINC000019080731 570956328 /nfs/dbraw/zinc/95/63/28/570956328.db2.gz FZQZXEIBAFWSFV-JTQLQIEISA-N 0 0 381.288 4.437 40 0 GIABRN Cc1ccc2nc3sc(C(=O)Nc4ccc5c(c4)OCCO5)c(N)c3cc2c1 ZINC000001342757 570959235 /nfs/dbraw/zinc/95/92/35/570959235.db2.gz BHHZXDJROQZGEH-UHFFFAOYSA-N 0 0 391.452 4.364 40 0 GIABRN COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)c2ccc(C)nc2)cc1OC ZINC000019214955 570961355 /nfs/dbraw/zinc/96/13/55/570961355.db2.gz HXDSWIDFZHECAD-GPHNJDIKSA-N 0 0 380.488 4.109 40 0 GIABRN Cc1ccc([C@H](NC(=O)Cc2ccc3c(c2)C[C@@H](C)O3)c2ccncc2)cc1C ZINC000019213561 570961383 /nfs/dbraw/zinc/96/13/83/570961383.db2.gz CQXPBJNPMFMKOY-IQGLISFBSA-N 0 0 386.495 4.470 40 0 GIABRN Cc1ccc(-c2nnc(CNC(=O)C3(c4cccc(F)c4)CCCC3)o2)s1 ZINC000019217891 570962228 /nfs/dbraw/zinc/96/22/28/570962228.db2.gz HTBDUAFZVLFJTK-UHFFFAOYSA-N 0 0 385.464 4.374 40 0 GIABRN COc1ccc(CCN2Cc3cc4ccc(C)cc4nc3OC2=O)cc1OC ZINC000019234305 570965173 /nfs/dbraw/zinc/96/51/73/570965173.db2.gz RJRRLXUETCQZRM-UHFFFAOYSA-N 0 0 378.428 4.118 40 0 GIABRN Cc1noc(C)c1CC(=O)Nc1nnc([C@H](C)Oc2cccc(C)c2C)s1 ZINC000019235693 570966057 /nfs/dbraw/zinc/96/60/57/570966057.db2.gz AVGYDGHWYVJPET-AWEZNQCLSA-N 0 0 386.477 4.081 40 0 GIABRN Cc1nccn1Cc1ccccc1C(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1C ZINC000019288235 570970436 /nfs/dbraw/zinc/97/04/36/570970436.db2.gz QJCBKKCPIVIYAH-INIZCTEOSA-N 0 0 384.483 4.481 40 0 GIABRN NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)C2CCCCC2)C1 ZINC000019333494 570975487 /nfs/dbraw/zinc/97/54/87/570975487.db2.gz RQWHGJLWRHTZER-QHCPKHFHSA-N 0 0 396.556 4.242 40 0 GIABRN O=C(C[C@H]1CCCCO1)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 ZINC000019341746 570977303 /nfs/dbraw/zinc/97/73/03/570977303.db2.gz DITFZAMMVBQQON-CQSZACIVSA-N 0 0 395.425 4.247 40 0 GIABRN O=C(C1CCCCC1)N1CCNC(=O)[C@@H](Cc2ccccc2-c2cccs2)C1 ZINC000019348553 570978788 /nfs/dbraw/zinc/97/87/88/570978788.db2.gz HFJBDYRLUFDFOQ-IBGZPJMESA-N 0 0 396.556 4.113 40 0 GIABRN O=C(C1CC1)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 ZINC000019373061 570980951 /nfs/dbraw/zinc/98/09/51/570980951.db2.gz YPMSYNHLOVHUGY-LJQANCHMSA-N 0 0 399.498 4.398 40 0 GIABRN CC(C)CC(=O)N1CC[C@@](Cc2ccc(-c3ccsc3)cc2)(C(=O)N(C)C)C1 ZINC000019446196 570983724 /nfs/dbraw/zinc/98/37/24/570983724.db2.gz LPRPZEHSMBKWCT-QHCPKHFHSA-N 0 0 398.572 4.311 40 0 GIABRN CC(C)Oc1cccc(CNC(=O)c2cc(-c3ccncc3)c3cnccc3n2)c1 ZINC000019450941 570985510 /nfs/dbraw/zinc/98/55/10/570985510.db2.gz QHJGLXPJWCPSID-UHFFFAOYSA-N 0 0 398.466 4.409 40 0 GIABRN CC(C)c1ccc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)c(=O)[nH]1 ZINC000019453143 570986145 /nfs/dbraw/zinc/98/61/45/570986145.db2.gz WHSZBRYDVOTDLK-UHFFFAOYSA-N 0 0 387.892 4.451 40 0 GIABRN C[C@H](CC(=O)N1CCC(c2onc3c2C[C@@H](C(C)(C)C)CC3)CC1)n1ccnc1 ZINC000019455122 570987149 /nfs/dbraw/zinc/98/71/49/570987149.db2.gz CDHIAGYAFZYRON-AEFFLSMTSA-N 0 0 398.551 4.379 40 0 GIABRN COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Cn2cnc3ccccc32)c(OC)c1 ZINC000019457721 570987566 /nfs/dbraw/zinc/98/75/66/570987566.db2.gz XEQFWPBBDUAFEL-OXQOHEQNSA-N 0 0 393.487 4.053 40 0 GIABRN COc1cccc(NC(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c1 ZINC000243893907 570988459 /nfs/dbraw/zinc/98/84/59/570988459.db2.gz RQYCHWJCPSJWTC-UHFFFAOYSA-N 0 0 394.515 4.484 40 0 GIABRN C[C@H]1Cc2cc(CCC(=O)N3CCC[C@@H](COc4ccccc4F)C3)ccc2O1 ZINC000019498114 570990771 /nfs/dbraw/zinc/99/07/71/570990771.db2.gz MAASJQQDZZNDRB-PKOBYXMFSA-N 0 0 397.490 4.399 40 0 GIABRN Cc1cccc(C(=O)Nc2cc(Br)c(N)c(Br)c2)c1 ZINC000008702099 570990865 /nfs/dbraw/zinc/99/08/65/570990865.db2.gz FDJKPCDQVSDUOQ-UHFFFAOYSA-N 0 0 384.071 4.355 40 0 GIABRN C[C@@H]1Cc2cc(CC(=O)N3CCC[C@@H](COc4ccccc4F)C3)ccc2O1 ZINC000019498077 570990984 /nfs/dbraw/zinc/99/09/84/570990984.db2.gz INJNXKHWKBLGOA-SJLPKXTDSA-N 0 0 383.463 4.009 40 0 GIABRN COCCCN(Cc1ccc2c(c1)C[C@H](C)O2)C(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000019498163 570990985 /nfs/dbraw/zinc/99/09/85/570990985.db2.gz SWECQDXMSSQVGG-DLBZAZTESA-N 0 0 395.499 4.012 40 0 GIABRN CC[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@H](c2cc3ncccc3cn2)C1 ZINC000019499384 570991828 /nfs/dbraw/zinc/99/18/28/570991828.db2.gz PHMACDUSMQPJLY-LAUBAEHRSA-N 0 0 393.462 4.333 40 0 GIABRN CCCCCCOc1ccc([C@@H]2C(C(=O)OC(C)C)C(C)=Nc3ncnn32)cc1 ZINC000004071197 570992046 /nfs/dbraw/zinc/99/20/46/570992046.db2.gz AECDFRHMBYASDY-HXUWFJFHSA-N 0 0 398.507 4.478 40 0 GIABRN CCC(CC)C(=O)N1Cc2ccccc2OC2(CCC(N(C)C(C)=O)CC2)C1 ZINC000019500238 570991992 /nfs/dbraw/zinc/99/19/92/570991992.db2.gz KECMJQVXJMUMMQ-UHFFFAOYSA-N 0 0 386.536 4.004 40 0 GIABRN CC[C@@H](C(=O)N1CCC[C@@H](c2noc(-c3ccccn3)n2)C1)c1ccccc1 ZINC000019500545 570992479 /nfs/dbraw/zinc/99/24/79/570992479.db2.gz KRRRJNGUOUMXQT-QZTJIDSGSA-N 0 0 376.460 4.031 40 0 GIABRN CCCC(=O)N1CCC[C@](Cc2cccc(-c3cccs3)c2)(C(=O)N(C)C)C1 ZINC000019501219 570992576 /nfs/dbraw/zinc/99/25/76/570992576.db2.gz RNVUHJUFHQJBQX-HSZRJFAPSA-N 0 0 398.572 4.455 40 0 GIABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3cscn3)cc2N1 ZINC000019520772 570994124 /nfs/dbraw/zinc/99/41/24/570994124.db2.gz BYJUCLCKSFGQKI-LERXQTSPSA-N 0 0 399.442 4.015 40 0 GIABRN CCc1[nH]c(=O)c(C(=O)Nc2nc(-c3c(C)[nH]c4ccccc43)cs2)cc1C ZINC000019521486 570994570 /nfs/dbraw/zinc/99/45/70/570994570.db2.gz IUPQEKVZYDPKNH-UHFFFAOYSA-N 0 0 392.484 4.411 40 0 GIABRN CCc1onc(C)c1C(=O)N1CCC[C@@H](c2nc(C)cc(-c3cccs3)n2)C1 ZINC000019521114 570994617 /nfs/dbraw/zinc/99/46/17/570994617.db2.gz JSXZQGXESMGQSP-OAHLLOKOSA-N 0 0 396.516 4.392 40 0 GIABRN CCCc1ncc(-c2cc(C)no2)c([C@H]2CCCCN2C(=O)c2ccncc2)n1 ZINC000019525599 570997329 /nfs/dbraw/zinc/99/73/29/570997329.db2.gz CIQORXMVQLTXBR-GOSISDBHSA-N 0 0 391.475 4.155 40 0 GIABRN CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)C2CC2)C1 ZINC000019528376 570998152 /nfs/dbraw/zinc/99/81/52/570998152.db2.gz RGBFCQUMKXXQJA-HSZRJFAPSA-N 0 0 396.556 4.113 40 0 GIABRN Cc1sc2nc(C(C)C)n([C@@H]3CCCN(Cc4ccccn4)C3)c(=O)c2c1C ZINC000019561160 571005382 /nfs/dbraw/zinc/00/53/82/571005382.db2.gz DWVUJEFPGJTZQF-GOSISDBHSA-N 0 0 396.560 4.430 40 0 GIABRN Cc1nc(C2CCN(C(=O)c3cccc(F)c3)CC2)sc1-c1ccncn1 ZINC000019560725 571005557 /nfs/dbraw/zinc/00/55/57/571005557.db2.gz DFEXPMYGEYAREK-UHFFFAOYSA-N 0 0 382.464 4.067 40 0 GIABRN COc1ccccc1-c1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1 ZINC000019655405 571023355 /nfs/dbraw/zinc/02/33/55/571023355.db2.gz AAPXVHBQTAAZDE-UHFFFAOYSA-N 0 0 399.450 4.101 40 0 GIABRN Cc1cc2ncn(CCC(=O)NCCc3nc(C(C)(C)C)cs3)c2cc1C ZINC000019661149 571025795 /nfs/dbraw/zinc/02/57/95/571025795.db2.gz BGVYIYPLFZRELS-UHFFFAOYSA-N 0 0 384.549 4.156 40 0 GIABRN CNc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)ccn1 ZINC000019662503 571026674 /nfs/dbraw/zinc/02/66/74/571026674.db2.gz GIICSWUDDTZFLM-QGZVFWFLSA-N 0 0 377.492 4.074 40 0 GIABRN O=C(c1cc(C2CC2)nc2ccccc21)N(Cc1ccccn1)C[C@H]1CCCO1 ZINC000019663505 571026904 /nfs/dbraw/zinc/02/69/04/571026904.db2.gz SHJQOMWJRKASRR-LJQANCHMSA-N 0 0 387.483 4.329 40 0 GIABRN CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 ZINC000019664324 571027034 /nfs/dbraw/zinc/02/70/34/571027034.db2.gz HUMLWANVJQDCQH-OAHLLOKOSA-N 0 0 394.475 4.148 40 0 GIABRN Cn1cc(-c2cc(C(=O)Nc3ccc4c(c3)ncn4C3CCCCC3)on2)cn1 ZINC000019664684 571027121 /nfs/dbraw/zinc/02/71/21/571027121.db2.gz LOGLYWQFLNUTQZ-UHFFFAOYSA-N 0 0 390.447 4.182 40 0 GIABRN Cc1c(-c2csc(NC(=O)Cc3csc(-c4ccccc4)n3)n2)cnn1C ZINC000019665406 571027283 /nfs/dbraw/zinc/02/72/83/571027283.db2.gz QFDBQFDQXJGPBB-UHFFFAOYSA-N 0 0 395.513 4.157 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2ccc(Cc3cccc(F)c3)cn2)o1 ZINC000019688449 571028722 /nfs/dbraw/zinc/02/87/22/571028722.db2.gz YNHZQQFJCMVNBS-HXUWFJFHSA-N 0 0 379.435 4.394 40 0 GIABRN COC(C)(C)C(=O)N1CCC(c2cc(Cc3ccccc3F)cc(C)n2)CC1 ZINC000019691713 571029713 /nfs/dbraw/zinc/02/97/13/571029713.db2.gz SLWOCOCROVPZTD-UHFFFAOYSA-N 0 0 384.495 4.251 40 0 GIABRN CCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)CCC2 ZINC000019706198 571032499 /nfs/dbraw/zinc/03/24/99/571032499.db2.gz RJKYEUBSDBTWBV-HXUWFJFHSA-N 0 0 378.520 4.201 40 0 GIABRN COc1cccc2cc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)c(C)nc21 ZINC000019714384 571035953 /nfs/dbraw/zinc/03/59/53/571035953.db2.gz GLMHVVOGXOMTTG-UHFFFAOYSA-N 0 0 390.418 4.188 40 0 GIABRN COc1cccc([C@H]2CCCN2C(=O)c2cc(COc3ccccc3F)on2)c1 ZINC000019714680 571036406 /nfs/dbraw/zinc/03/64/06/571036406.db2.gz ZYSRNGIGTHHQAS-HXUWFJFHSA-N 0 0 396.418 4.379 40 0 GIABRN COc1ccc([C@@H](NC(=O)c2cc(-n3cccn3)ccc2Cl)C2CC2)cc1 ZINC000019715128 571036803 /nfs/dbraw/zinc/03/68/03/571036803.db2.gz UBVJXRDMWJTFAU-FQEVSTJZSA-N 0 0 381.863 4.415 40 0 GIABRN Cc1ccc2c(n[nH]c2NC(=O)c2ccc(Cl)c(NCc3ccccn3)c2)n1 ZINC000019714952 571036918 /nfs/dbraw/zinc/03/69/18/571036918.db2.gz QAWIDKIYMSSDCQ-UHFFFAOYSA-N 0 0 392.850 4.179 40 0 GIABRN CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cnn(Cc4ccccc4F)c3)c2C1 ZINC000019715667 571037258 /nfs/dbraw/zinc/03/72/58/571037258.db2.gz NNKMJHDYEGYMPR-OAHLLOKOSA-N 0 0 396.466 4.462 40 0 GIABRN COc1cccc([C@@H]2CCCN2C(=O)c2cnn3c2nccc3-c2ccccc2)c1 ZINC000019717285 571039624 /nfs/dbraw/zinc/03/96/24/571039624.db2.gz OSQSTUAQAIFZQW-NRFANRHFSA-N 0 0 398.466 4.382 40 0 GIABRN COc1cccc(CCNc2cc([C@@H](C)Cn3nc(C)c(C)c3C)nc(C)n2)c1 ZINC000019717905 571040778 /nfs/dbraw/zinc/04/07/78/571040778.db2.gz SFSJHAMIKOMDQZ-HNNXBMFYSA-N 0 0 393.535 4.374 40 0 GIABRN O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000019717775 571040877 /nfs/dbraw/zinc/04/08/77/571040877.db2.gz PWAZSTCMQHBGOB-IBGZPJMESA-N 0 0 391.471 4.021 40 0 GIABRN Fc1ccc(F)c(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)c1 ZINC000328957956 571046815 /nfs/dbraw/zinc/04/68/15/571046815.db2.gz AMVVLSYLECXTIZ-UHFFFAOYSA-N 0 0 381.430 4.149 40 0 GIABRN CCOc1ccc(/C=C2/SC(=O)N(CNc3ccc(OC)cc3)C2=O)cc1 ZINC000003109181 817417674 /nfs/dbraw/zinc/41/76/74/817417674.db2.gz SFQOLCTVEZEQHJ-LDADJPATSA-N 0 0 384.457 4.200 40 0 GIABRN CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1cccc(Cl)c1 ZINC000004492039 817527932 /nfs/dbraw/zinc/52/79/32/817527932.db2.gz AGCJZPRQZRFQRH-UHFFFAOYSA-N 0 0 397.891 4.147 40 0 GIABRN C#CCn1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c2ccccc21 ZINC000006295448 817673949 /nfs/dbraw/zinc/67/39/49/817673949.db2.gz IDUYIINZLSLOET-CIAFOILYSA-N 0 0 397.459 4.383 40 0 GIABRN COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000006307879 817674690 /nfs/dbraw/zinc/67/46/90/817674690.db2.gz KQEMCUVSPZRNFC-DHDCSXOGSA-N 0 0 387.794 4.062 40 0 GIABRN CC(C)N(C(=O)CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)C(C)C ZINC000006327464 817676874 /nfs/dbraw/zinc/67/68/74/817676874.db2.gz BBECFMBMLJKPSO-DHDCSXOGSA-N 0 0 380.897 4.022 40 0 GIABRN CC(C)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc1 ZINC000006346355 817680283 /nfs/dbraw/zinc/68/02/83/817680283.db2.gz FSVNYSNEXDFOBQ-AQTBWJFISA-N 0 0 386.517 4.249 40 0 GIABRN O=C1c2cccc3cccc(c32)C(=O)N1c1cccc(I)c1 ZINC000006495612 817697965 /nfs/dbraw/zinc/69/79/65/817697965.db2.gz NMJMERFJUXSNIB-UHFFFAOYSA-N 0 0 399.187 4.245 40 0 GIABRN CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O ZINC000006650654 817715786 /nfs/dbraw/zinc/71/57/86/817715786.db2.gz NVLCDLZPVFUHAX-GFCCVEGCSA-N 0 0 393.270 4.384 40 0 GIABRN CCCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)C(C(=O)OC)=C1C ZINC000006654698 817716190 /nfs/dbraw/zinc/71/61/90/817716190.db2.gz BHEUWITZHUKYLW-HKWRFOASSA-N 0 0 391.467 4.348 40 0 GIABRN Cc1c(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)c2ccccc2n1C ZINC000006959670 817729044 /nfs/dbraw/zinc/72/90/44/817729044.db2.gz QVNLAYSIXQIUDZ-NDENLUEZSA-N 0 0 390.464 4.406 40 0 GIABRN Cc1cc(O[C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)cc(C)c1Cl ZINC000007504606 817856935 /nfs/dbraw/zinc/85/69/35/817856935.db2.gz CTTRMSRMQKDUHW-MRXNPFEDSA-N 0 0 390.886 4.212 40 0 GIABRN Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc(C)c1Br ZINC000007881846 817949631 /nfs/dbraw/zinc/94/96/31/817949631.db2.gz CNUZYWJQOPVOKE-AWEZNQCLSA-N 0 0 387.277 4.058 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1OC ZINC000008050432 817989285 /nfs/dbraw/zinc/98/92/85/817989285.db2.gz CKRHZDFAANHEAC-CRAIPNDOSA-N 0 0 384.476 4.020 40 0 GIABRN CN1C(=O)N/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O ZINC000008091642 817998923 /nfs/dbraw/zinc/99/89/23/817998923.db2.gz YGPJUWYSTLRJEA-OQLLNIDSSA-N 0 0 377.227 4.095 40 0 GIABRN COc1cccc(C2=N/C(=C\c3ccccc3OC(=O)c3ccccc3)C(=O)O2)c1 ZINC000008167221 818010324 /nfs/dbraw/zinc/01/03/24/818010324.db2.gz WJWBQULCCNTCKG-HKWRFOASSA-N 0 0 399.402 4.259 40 0 GIABRN N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)Nc1ccccc1 ZINC000016411186 818438241 /nfs/dbraw/zinc/43/82/41/818438241.db2.gz SKESHCPUDUNEHN-GHRIWEEISA-N 0 0 376.416 4.131 40 0 GIABRN CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCC(C)C ZINC000016411677 818438339 /nfs/dbraw/zinc/43/83/39/818438339.db2.gz AOGHQOAHQHFTJS-KGENOOAVSA-N 0 0 392.499 4.386 40 0 GIABRN CC(C)(C)c1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc(C(C)(C)C)c1O ZINC000016437584 818442214 /nfs/dbraw/zinc/44/22/14/818442214.db2.gz QAXGXSQRBHFIKI-KGZWWPETSA-N 0 0 384.520 4.189 40 0 GIABRN Cc1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018030540 818540503 /nfs/dbraw/zinc/54/05/03/818540503.db2.gz HMGLOWXPANVKNZ-VJBWXMMDSA-N 0 0 398.462 4.042 40 0 GIABRN CC(C)C(=O)N1CCO[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 ZINC000019692870 818599363 /nfs/dbraw/zinc/59/93/63/818599363.db2.gz AHBYSOADLHRSKN-LJQANCHMSA-N 0 0 392.421 4.247 40 0 GIABRN COc1cccc(CN2CCO[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)c1 ZINC000019692877 818599391 /nfs/dbraw/zinc/59/93/91/818599391.db2.gz STITWENQCRBODL-DEOSSOPVSA-N 0 0 392.474 4.394 40 0 GIABRN Cn1ncc(-c2csc(NC(=O)COc3ccccc3)n2)c1-c1ccccc1 ZINC000019697070 818599933 /nfs/dbraw/zinc/59/99/33/818599933.db2.gz ZQVXEAOBLYDUML-UHFFFAOYSA-N 0 0 390.468 4.228 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)N2C(=O)c1ccccc1 ZINC000019712879 818602448 /nfs/dbraw/zinc/60/24/48/818602448.db2.gz QFZDABGUJFGHEW-SMIHKQSGSA-N 0 0 390.527 4.304 40 0 GIABRN CC(=O)N1CC[C@H]2[C@H]1CCCCCN2C(=O)c1ccc(-c2csc(C)n2)cc1 ZINC000019712320 818602506 /nfs/dbraw/zinc/60/25/06/818602506.db2.gz WAOVLNZUKFMNSE-RTWAWAEBSA-N 0 0 397.544 4.124 40 0 GIABRN O=C(CSCc1cccc(Br)c1)Nc1ccc2c(c1)OCO2 ZINC000020238311 818617733 /nfs/dbraw/zinc/61/77/33/818617733.db2.gz AUJBIWNTYWTJFF-UHFFFAOYSA-N 0 0 380.263 4.050 40 0 GIABRN Cc1cccc(NC(=O)CSc2n[nH]c(COc3ccc(Cl)cc3)n2)c1 ZINC000021112389 818654697 /nfs/dbraw/zinc/65/46/97/818654697.db2.gz MJMNNOWKYYBJKF-UHFFFAOYSA-N 0 0 388.880 4.076 40 0 GIABRN COc1ccccc1NC(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 ZINC000027753021 820282675 /nfs/dbraw/zinc/28/26/75/820282675.db2.gz GAWIXFCDJGKQOU-UHFFFAOYSA-N 0 0 385.445 4.480 40 0 GIABRN O=C(CSc1noc(-c2ccc(Cl)cc2)n1)N1CCCc2ccccc21 ZINC000028527289 820343931 /nfs/dbraw/zinc/34/39/31/820343931.db2.gz AVCHFYAAWNZENJ-UHFFFAOYSA-N 0 0 385.876 4.462 40 0 GIABRN CCOC(=O)C1=C(C)NC(SCC#N)=N[C@@H]1c1cccc(Cl)c1Cl ZINC000033771959 821059869 /nfs/dbraw/zinc/05/98/69/821059869.db2.gz YKFRYEROJFWKHH-CQSZACIVSA-N 0 0 384.288 4.088 40 0 GIABRN C[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(C(C)(C)C)cc1 ZINC000219135582 222592406 /nfs/dbraw/zinc/59/24/06/222592406.db2.gz GPKXLVQMSKXBLV-MRXNPFEDSA-N 0 0 392.499 4.238 40 0 GIABRN CCc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccccc4)c3)nn12 ZINC000008071436 230860173 /nfs/dbraw/zinc/86/01/73/230860173.db2.gz VREAPVCDUCVQRW-VAWYXSNFSA-N 0 0 375.457 4.067 40 0 GIABRN Cc1cc(C)cc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000008497440 230865079 /nfs/dbraw/zinc/86/50/79/230865079.db2.gz MWVJRFVCLHXZED-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1cc(Cl)cc(Cl)c1 ZINC000019983185 230902832 /nfs/dbraw/zinc/90/28/32/230902832.db2.gz JPQHIMKRYHTTHE-UHFFFAOYSA-N 0 0 385.634 4.011 40 0 GIABRN Cc1cccc(NC(=O)CSc2nnc(COc3cccc(C)c3C)o2)c1 ZINC000059176063 230942572 /nfs/dbraw/zinc/94/25/72/230942572.db2.gz KMCXKYXTFFADAG-UHFFFAOYSA-N 0 0 383.473 4.305 40 0 GIABRN Cc1ccc(NC(=O)C(=O)NCCOc2ccccc2-c2ccccc2)c(C)c1 ZINC000059417416 230943678 /nfs/dbraw/zinc/94/36/78/230943678.db2.gz BEEKMVVSUIVKDP-UHFFFAOYSA-N 0 0 388.467 4.104 40 0 GIABRN COc1cccc2cc(C(=O)Nc3ccccc3I)oc21 ZINC000122791368 231025175 /nfs/dbraw/zinc/02/51/75/231025175.db2.gz HETKHHSVOYPKAH-UHFFFAOYSA-N 0 0 393.180 4.298 40 0 GIABRN O=C(NC1CCCCC1)c1c2c(sc1NC(=O)c1cccnc1)CCCC2 ZINC000109086682 231020973 /nfs/dbraw/zinc/02/09/73/231020973.db2.gz SUDLDNBCVNIDCA-UHFFFAOYSA-N 0 0 383.517 4.337 40 0 GIABRN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1 ZINC000113942334 231023800 /nfs/dbraw/zinc/02/38/00/231023800.db2.gz BPZFIZURYANMBQ-UHFFFAOYSA-N 0 0 386.517 4.120 40 0 GIABRN CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccc(OC)c(OC)c1 ZINC000408561917 231061786 /nfs/dbraw/zinc/06/17/86/231061786.db2.gz LPDKNRQIGBUBLA-DQRAZIAOSA-N 0 0 382.485 4.303 40 0 GIABRN Cc1ccc(C2=NN(C(=O)c3ccc(C)cc3Cl)[C@](O)(C(F)(F)F)C2)cc1 ZINC000408563050 231062573 /nfs/dbraw/zinc/06/25/73/231062573.db2.gz IAVMSSWYAXUFTP-GOSISDBHSA-N 0 0 396.796 4.458 40 0 GIABRN Cc1ccc(C2=NN(C(=O)c3ccc(C)cc3Cl)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000408563056 231062638 /nfs/dbraw/zinc/06/26/38/231062638.db2.gz IAVMSSWYAXUFTP-SFHVURJKSA-N 0 0 396.796 4.458 40 0 GIABRN COc1cccc(C(=O)Sc2nnc(-c3ccc(Br)cc3)o2)c1 ZINC000408691860 231095791 /nfs/dbraw/zinc/09/57/91/231095791.db2.gz UTUVZFCZERTPKO-UHFFFAOYSA-N 0 0 391.246 4.440 40 0 GIABRN O=C(Nc1cccc(F)c1)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000408696365 231096331 /nfs/dbraw/zinc/09/63/31/231096331.db2.gz AKSPVQUVEGCPIT-UHFFFAOYSA-N 0 0 376.366 4.465 40 0 GIABRN N=C1NC(=O)/C(=C/c2cc(Cl)c(OC(=O)c3ccccc3)c(Cl)c2)S1 ZINC000408894377 231125568 /nfs/dbraw/zinc/12/55/68/231125568.db2.gz HYROQRXRRIWDGY-JYRVWZFOSA-N 0 0 393.251 4.351 40 0 GIABRN Cc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)c1 ZINC000408736842 231108631 /nfs/dbraw/zinc/10/86/31/231108631.db2.gz JBBNWIPWJGUTSY-NRFANRHFSA-N 0 0 393.487 4.408 40 0 GIABRN O=S(=O)(NCCSCc1ccccc1)c1cc(Cl)ccc1Cl ZINC000409029105 231149236 /nfs/dbraw/zinc/14/92/36/231149236.db2.gz WBXHHEZAAILVQY-UHFFFAOYSA-N 0 0 376.330 4.205 40 0 GIABRN COc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000408939789 231133755 /nfs/dbraw/zinc/13/37/55/231133755.db2.gz UJNHAMFRBIDALR-DHDCSXOGSA-N 0 0 377.227 4.095 40 0 GIABRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c(C)n1C ZINC000409148828 231172047 /nfs/dbraw/zinc/17/20/47/231172047.db2.gz SISYCSQEQBNBLP-MFOYZWKCSA-N 0 0 388.876 4.215 40 0 GIABRN Cc1cc(=O)n2nc(-c3cccc(Br)c3)c(-c3ccccc3)c2[nH]1 ZINC000409065048 231154329 /nfs/dbraw/zinc/15/43/29/231154329.db2.gz FWAGKXIECVGRNZ-UHFFFAOYSA-N 0 0 380.245 4.428 40 0 GIABRN Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccc(F)cc2)o1 ZINC000409169890 231174906 /nfs/dbraw/zinc/17/49/06/231174906.db2.gz SRNWKHJVWGNDBT-UHFFFAOYSA-N 0 0 387.436 4.135 40 0 GIABRN Cc1s/c(=N\S(=O)(=O)c2ccc(Cl)cc2)n(C)c1-c1ccc(C)cc1 ZINC000409205290 231180537 /nfs/dbraw/zinc/18/05/37/231180537.db2.gz BDHVWORFRSWERF-ZZEZOPTASA-N 0 0 392.933 4.313 40 0 GIABRN O=C1N/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 ZINC000409235179 231185544 /nfs/dbraw/zinc/18/55/44/231185544.db2.gz YUSUFXABFUHGHW-CPNJWEJPSA-N 0 0 377.831 4.224 40 0 GIABRN COCCCN1C(=O)S/C(=C/c2cc(Cl)c(OC)c(Cl)c2)C1=O ZINC000409242460 231186852 /nfs/dbraw/zinc/18/68/52/231186852.db2.gz NSMDCXPIQZTBQH-XYOKQWHBSA-N 0 0 376.261 4.075 40 0 GIABRN COCCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409255854 231188644 /nfs/dbraw/zinc/18/86/44/231188644.db2.gz ZWOVHRVYDGDSHF-XMHGGMMESA-N 0 0 383.469 4.338 40 0 GIABRN COc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccccc3OC)n2)cc1 ZINC000409387064 231199835 /nfs/dbraw/zinc/19/98/35/231199835.db2.gz ZFVONLZEQUHDPZ-UHFFFAOYSA-N 0 0 395.484 4.200 40 0 GIABRN CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccccc1O ZINC000409411119 231201802 /nfs/dbraw/zinc/20/18/02/231201802.db2.gz CMOPSLBWSNVEKN-UHFFFAOYSA-N 0 0 382.489 4.018 40 0 GIABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1nc(-c2cccs2)no1 ZINC000223034706 222624790 /nfs/dbraw/zinc/62/47/90/222624790.db2.gz KZYNTMBFEZOCEZ-AWEZNQCLSA-N 0 0 391.880 4.234 40 0 GIABRN CCc1ccccc1NC(=O)CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000004285924 529595301 /nfs/dbraw/zinc/59/53/01/529595301.db2.gz ITLOBCXEIJFLQN-UHFFFAOYSA-N 0 0 399.541 4.157 40 0 GIABRN CCc1ccccc1NC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)c1 ZINC000408673938 529600139 /nfs/dbraw/zinc/60/01/39/529600139.db2.gz WFOBGNKUQATBFL-CWFSZBLJSA-N 0 0 390.483 4.427 40 0 GIABRN CCc1ccccc1NC(=O)c1cccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)c1 ZINC000408672250 529600368 /nfs/dbraw/zinc/60/03/68/529600368.db2.gz MQHVOSNFZZSTMX-NYSBEXSLSA-N 0 0 388.467 4.203 40 0 GIABRN CCc1ccccc1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC=C(C)C[C@@H]2C1=O ZINC000408683639 529600468 /nfs/dbraw/zinc/60/04/68/529600468.db2.gz NCWPXIRSSJBXCK-MJGOQNOKSA-N 0 0 388.467 4.347 40 0 GIABRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C)s3)C2=O)cc1 ZINC000409179812 529675254 /nfs/dbraw/zinc/67/52/54/529675254.db2.gz NSFLPXAZLFPVKQ-MHWRWJLKSA-N 0 0 386.498 4.294 40 0 GIABRN CCc1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)cc1 ZINC000409204380 529693219 /nfs/dbraw/zinc/69/32/19/529693219.db2.gz GGKXBOITUUSJHC-PMACEKPBSA-N 0 0 377.440 4.148 40 0 GIABRN CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CC ZINC000223544502 222635219 /nfs/dbraw/zinc/63/52/19/222635219.db2.gz WOXSMWGBUCNZRF-JOCHJYFZSA-N 0 0 382.504 4.091 40 0 GIABRN CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NCCC(C)C)c1ccccc1 ZINC000223548195 222635343 /nfs/dbraw/zinc/63/53/43/222635343.db2.gz OQSJBZFYAXGHLD-HSZRJFAPSA-N 0 0 396.531 4.337 40 0 GIABRN Cc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3cccc4c3CCCC4)n2)c1 ZINC000223581207 222636184 /nfs/dbraw/zinc/63/61/84/222636184.db2.gz LBHZEAKMUCBDFX-INIZCTEOSA-N 0 0 391.471 4.008 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F ZINC000223702009 222640725 /nfs/dbraw/zinc/64/07/25/222640725.db2.gz OJJPKNYTTXSFCJ-JOCHJYFZSA-N 0 0 398.522 4.400 40 0 GIABRN CCC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223706483 222640846 /nfs/dbraw/zinc/64/08/46/222640846.db2.gz UOWWSPJCGGXUEC-LAUBAEHRSA-N 0 0 384.495 4.090 40 0 GIABRN CC(C)(C)c1ccccc1OCCNC(=O)C1(c2ccccc2)CCOCC1 ZINC000223737014 222642741 /nfs/dbraw/zinc/64/27/41/222642741.db2.gz RUUQSHXZDAPUDK-UHFFFAOYSA-N 0 0 381.516 4.228 40 0 GIABRN CN1CCN(C(=S)c2ccccc2OCc2ccc(Cl)cc2Cl)CC1 ZINC000408578307 530070033 /nfs/dbraw/zinc/07/00/33/530070033.db2.gz XITJPMGTVXXUAU-UHFFFAOYSA-N 0 0 395.355 4.495 40 0 GIABRN COC(=O)c1ccc(Nc2cc(-c3ccccn3)nc(NC(C)(C)C)n2)cc1 ZINC000328995899 203769499 /nfs/dbraw/zinc/76/94/99/203769499.db2.gz JIZUGGQQSVZMLO-UHFFFAOYSA-N 0 0 377.448 4.279 40 0 GIABRN Cc1cc(Br)ccc1Nc1cc(-c2ccncc2)nc(NC2CC2)n1 ZINC000329057250 203772247 /nfs/dbraw/zinc/77/22/47/203772247.db2.gz VWODOIKHOSOZID-UHFFFAOYSA-N 0 0 396.292 4.349 40 0 GIABRN COc1ccc2[nH]c(=O)c(CN(C(=O)NC3CCCCC3)C3CCCC3)cc2c1 ZINC000008681757 203794207 /nfs/dbraw/zinc/79/42/07/203794207.db2.gz QMXKKFNOGXOGGA-UHFFFAOYSA-N 0 0 397.519 4.324 40 0 GIABRN O=C(Cc1noc(COc2ccc(Cl)cc2Cl)n1)Nc1ccccc1 ZINC000034791740 203839407 /nfs/dbraw/zinc/83/94/07/203839407.db2.gz LYCCKTXLFOTOFM-UHFFFAOYSA-N 0 0 378.215 4.137 40 0 GIABRN O=C(c1ccco1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc2c(c1)OCO2 ZINC000004360806 204040701 /nfs/dbraw/zinc/04/07/01/204040701.db2.gz GGAATWIJQNYUBI-QFIPXVFZSA-N 0 0 386.407 4.278 40 0 GIABRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)cc1 ZINC000003481077 204009036 /nfs/dbraw/zinc/00/90/36/204009036.db2.gz FYQCVMQFFFCUOU-UHFFFAOYSA-N 0 0 380.469 4.072 40 0 GIABRN O=c1c2ccccc2n2c(-c3cccc(Cl)c3)nnc2n1Cc1ccccc1 ZINC000004193492 204032992 /nfs/dbraw/zinc/03/29/92/204032992.db2.gz AJGGHJDEMDXYEJ-UHFFFAOYSA-N 0 0 386.842 4.413 40 0 aggregator GIABRN O=C1[C@H]2[C@H](C(=O)N1c1ccccn1)[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000004697582 204065168 /nfs/dbraw/zinc/06/51/68/204065168.db2.gz VFVLWHDKTBYUNI-OHUMZHCVSA-N 0 0 380.447 4.325 40 0 GIABRN CCc1cc2ccc(OC)cc2nc1SCC(=O)NCc1ccc(OC)cc1 ZINC000004849402 204082461 /nfs/dbraw/zinc/08/24/61/204082461.db2.gz BCHYIFJKACVXPG-UHFFFAOYSA-N 0 0 396.512 4.223 40 0 GIABRN CCc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000004889079 204086451 /nfs/dbraw/zinc/08/64/51/204086451.db2.gz HQCAZEOSSBVLQO-VJBWXMMDSA-N 0 0 398.462 4.300 40 0 GIABRN COc1cc(C(c2ccc(O)c(OC)c2)c2ccc(O)c(OC)c2)ccc1O ZINC000004692031 204064346 /nfs/dbraw/zinc/06/43/46/204064346.db2.gz XMVXWHXQTGZPMH-UHFFFAOYSA-N 0 0 382.412 4.009 40 0 GIABRN O=C(c1cccc(F)c1)N1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000005158541 204116969 /nfs/dbraw/zinc/11/69/69/204116969.db2.gz VNFACUMJHRYIQV-HARLFGEKSA-N 0 0 397.446 4.063 40 0 GIABRN COc1ccc(-c2noc(CCC(=O)Nc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000004933072 204093573 /nfs/dbraw/zinc/09/35/73/204093573.db2.gz IYNMYGRSSOWYHJ-UHFFFAOYSA-N 0 0 391.349 4.335 40 0 aggregator GIABRN CC(=O)O[C@H]1CC[C@H]2[C@H]3CC[C@H]4O[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004946286 204096067 /nfs/dbraw/zinc/09/60/67/204096067.db2.gz WNFQIRIRYYIJSG-PHGHRUFFSA-N 0 0 378.509 4.229 40 0 GIABRN COc1ccc(C2=C(C)C[C@H]3c4cc(OC)c(OC)cc4CCN3C2)cc1OC ZINC000004972679 204098566 /nfs/dbraw/zinc/09/85/66/204098566.db2.gz WMNVBKJMCIEITE-FQEVSTJZSA-N 0 0 395.499 4.498 40 0 GIABRN O=C1C[C@@]2(Cl)CN3c4ccccc4C(=O)C[C@@]3(Cl)CN2c2ccccc21 ZINC000005371579 204128501 /nfs/dbraw/zinc/12/85/01/204128501.db2.gz ZINWVQKEVWANBS-PMACEKPBSA-N 0 0 387.266 4.056 40 0 GIABRN O=c1[nH]c2c(s1)[C@@H]1c3ccccc3OC(=O)[C@H]1[C@H](c1ccc(F)cc1)S2 ZINC000004995847 204100513 /nfs/dbraw/zinc/10/05/13/204100513.db2.gz KLWJRRIGFKCMML-KFWWJZLASA-N 0 0 385.441 4.090 40 0 GIABRN COc1ccccc1NC(=O)N1CCC[C@H]1C(=O)Nc1cccc2c1CCCC2 ZINC000035289565 204150696 /nfs/dbraw/zinc/15/06/96/204150696.db2.gz NCCPSASNGKEAAU-FQEVSTJZSA-N 0 0 393.487 4.209 40 0 GIABRN CCOC(=O)C1=CN(Cc2ccccc2)[C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C1 ZINC000005828665 204153325 /nfs/dbraw/zinc/15/33/25/204153325.db2.gz IDPPECWXGYLOCA-FPOVZHCZSA-N 0 0 396.874 4.370 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccccc2[C@@H]2Nc3ccccc3C(=O)O2)cc1 ZINC000005889170 204155993 /nfs/dbraw/zinc/15/59/93/204155993.db2.gz IWNWIXKCLATLEJ-HXUWFJFHSA-N 0 0 394.452 4.077 40 0 GIABRN Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C(=O)Nc2ccc(F)cc2)cc1 ZINC000035314034 204166772 /nfs/dbraw/zinc/16/67/72/204166772.db2.gz RCKCRFYAYVMSQL-SEJPIABJSA-N 0 0 395.478 4.482 40 0 GIABRN O=C(NC1C[C@H]2CCC[C@@H](C1)N2C(=S)Nc1ccccc1)c1cccc(F)c1 ZINC000035312805 204166852 /nfs/dbraw/zinc/16/68/52/204166852.db2.gz FUADNMPSOYNELF-IHWFROFDSA-N 0 0 397.519 4.338 40 0 GIABRN Cc1ccc2nc(-c3cc4cccc(C)c4[nH]c3=O)c(NC[C@@H]3CCCO3)n2c1 ZINC000035312114 204166907 /nfs/dbraw/zinc/16/69/07/204166907.db2.gz UVVDFUKZZNNZBG-KRWDZBQOSA-N 0 0 388.471 4.051 40 0 GIABRN Cc1ccc(C(=O)N(Cc2cccs2)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000035312575 204167636 /nfs/dbraw/zinc/16/76/36/204167636.db2.gz UDMZRMFMDPWILI-UHFFFAOYSA-N 0 0 389.480 4.136 40 0 GIABRN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005438626 204132268 /nfs/dbraw/zinc/13/22/68/204132268.db2.gz LSCPHVVJTOFUDM-UHFFFAOYSA-N 0 0 399.299 4.176 40 0 GIABRN COc1ccc(CCN(C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000005525289 204137454 /nfs/dbraw/zinc/13/74/54/204137454.db2.gz BAWODBYWNIKHHC-UHFFFAOYSA-N 0 0 382.382 4.429 40 0 GIABRN O=C(CCCCC(=O)NCc1ccccc1Cl)NCc1ccccc1Cl ZINC000006227049 204171889 /nfs/dbraw/zinc/17/18/89/204171889.db2.gz GOZGUYHKBYVJQM-UHFFFAOYSA-N 0 0 393.314 4.486 40 0 GIABRN COc1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1Br ZINC000006275162 204173532 /nfs/dbraw/zinc/17/35/32/204173532.db2.gz MZJXJGXRJFEKNZ-UHFFFAOYSA-N 0 0 399.697 4.238 40 0 GIABRN CC[C@H](C)c1ccc(OCC(=O)Nc2nc3ccc(NC(C)=O)cc3o2)cc1 ZINC000006356048 204175866 /nfs/dbraw/zinc/17/58/66/204175866.db2.gz ULKMGNZBRGNDGR-ZDUSSCGKSA-N 0 0 381.432 4.317 40 0 GIABRN COc1cc(NC(=S)NC(=O)c2ccc(C)cc2C)c(OC)cc1Cl ZINC000006501517 204181569 /nfs/dbraw/zinc/18/15/69/204181569.db2.gz LQHXMWJJKAJCMT-UHFFFAOYSA-N 0 0 378.881 4.101 40 0 GIABRN Nc1nc(/C=C/c2ccccc2)cc(-c2cc(/C=C/c3ccccc3)nc(N)n2)n1 ZINC000006514330 204181965 /nfs/dbraw/zinc/18/19/65/204181965.db2.gz RAZLWQPTMTYSMG-PHEQNACWSA-N 0 0 392.466 4.439 40 0 GIABRN CCOc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1 ZINC000006595722 204185739 /nfs/dbraw/zinc/18/57/39/204185739.db2.gz WIDXBTCOBBHDRU-HKWRFOASSA-N 0 0 376.412 4.088 40 0 GIABRN CCCCC(=O)Nc1ccc(NC(=O)c2c(OC)cccc2OC)cc1OC ZINC000006594853 204185827 /nfs/dbraw/zinc/18/58/27/204185827.db2.gz MJBJXLHUNVMURK-UHFFFAOYSA-N 0 0 386.448 4.093 40 0 GIABRN COc1cccc(-n2cc(C(=O)N3CCc4ccccc43)c3ccccc3c2=O)c1 ZINC000006892623 204220572 /nfs/dbraw/zinc/22/05/72/204220572.db2.gz WSOWYURFTYKWFZ-UHFFFAOYSA-N 0 0 396.446 4.202 40 0 GIABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(NC(N)=S)cc1 ZINC000006911555 204222780 /nfs/dbraw/zinc/22/27/80/204222780.db2.gz DNFCHNPCKCWREO-VIFPVBQESA-N 0 0 384.288 4.055 40 0 GIABRN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C ZINC000006913894 204224114 /nfs/dbraw/zinc/22/41/14/204224114.db2.gz MAVQWMVZOSMYTO-UHFFFAOYSA-N 0 0 390.871 4.314 40 0 GIABRN O=C([O-])c1ccc(C[N@@H+]2CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)C2)cc1 ZINC000035446671 204226867 /nfs/dbraw/zinc/22/68/67/204226867.db2.gz FLTUKLWFAMDSTP-AWEZNQCLSA-N 0 0 389.377 4.269 40 0 biogenic,in-vitro GIABRN Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)n2)cc1 ZINC000007781000 204250199 /nfs/dbraw/zinc/25/01/99/204250199.db2.gz XQQBBPXEMRAMQX-HNNXBMFYSA-N 0 0 399.878 4.433 40 0 GIABRN Cc1csc(NC(=O)CSc2ccc(-c3nc4cc(C)ccc4[nH]3)cn2)n1 ZINC000008690210 204283231 /nfs/dbraw/zinc/28/32/31/204283231.db2.gz VCCOMOCJKDPJCU-UHFFFAOYSA-N 0 0 395.513 4.429 40 0 GIABRN CC1(C)[C@H](Cc2cc(-c3ccccc3)on2)C[C@@H]1NC(=O)COc1ccccc1 ZINC000067890253 204269473 /nfs/dbraw/zinc/26/94/73/204269473.db2.gz SVWLZNNQGKAYMY-GCJKJVERSA-N 0 0 390.483 4.494 40 0 biogenic,in-vitro GIABRN Cc1ccc(C(=O)CN2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1 ZINC000036234999 204311206 /nfs/dbraw/zinc/31/12/06/204311206.db2.gz YRDUBNVKRQFKPL-UHFFFAOYSA-N 0 0 377.513 4.123 40 0 GIABRN CC(C)c1ccc([C@H]2[C@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)cc1 ZINC000036701617 204325204 /nfs/dbraw/zinc/32/52/04/204325204.db2.gz FEPAYXGJEZOWOQ-BEVDRBHNSA-N 0 0 375.476 4.060 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc2ccccc2o1 ZINC000009903769 204327449 /nfs/dbraw/zinc/32/74/49/204327449.db2.gz YAQBJCLTNSZRAG-UHFFFAOYSA-N 0 0 392.436 4.486 40 0 GIABRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000012017408 204367045 /nfs/dbraw/zinc/36/70/45/204367045.db2.gz QKTVQSXOOWUXFK-UFYCRDLUSA-N 0 0 390.464 4.108 40 0 GIABRN COc1ccc(-c2nc3cnccn3c2NCc2ccc(F)cc2)c(OC)c1 ZINC000012113798 204372247 /nfs/dbraw/zinc/37/22/47/204372247.db2.gz PORQJJQBWMDWFO-UHFFFAOYSA-N 0 0 378.407 4.165 40 0 GIABRN CCn1c2ccccc2nc1N1CCC(C(=O)N[C@H]2CCc3ccccc32)CC1 ZINC000012116397 204372379 /nfs/dbraw/zinc/37/23/79/204372379.db2.gz YBKOOVWRTBYIKD-FQEVSTJZSA-N 0 0 388.515 4.076 40 0 GIABRN COc1cc(C)c(CNC(=O)c2ccc(-n3cnnc3)cc2Cl)cc1C(C)C ZINC000012148324 204377504 /nfs/dbraw/zinc/37/75/04/204377504.db2.gz CBSRLVDLKYMFBP-UHFFFAOYSA-N 0 0 398.894 4.291 40 0 GIABRN C[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000010969561 204341873 /nfs/dbraw/zinc/34/18/73/204341873.db2.gz NHYWEMBKAOUHCR-OLZOCXBDSA-N 0 0 397.949 4.102 40 0 GIABRN CCOc1ccc([C@H](C)NC(=O)COc2ccc(Br)cc2)cc1 ZINC000011170512 204343042 /nfs/dbraw/zinc/34/30/42/204343042.db2.gz GGOVNEZOTZRHFI-ZDUSSCGKSA-N 0 0 378.266 4.104 40 0 GIABRN Cn1ncc2c1CCc1sc(NC(=O)Cc3c(Cl)cccc3Cl)nc1-2 ZINC000012327229 204399487 /nfs/dbraw/zinc/39/94/87/204399487.db2.gz FJFNCKAGJADNIR-UHFFFAOYSA-N 0 0 393.299 4.130 40 0 GIABRN COc1ccc2cnc([C@@H]3CCCN(C(=O)c4cc(C5CC5)on4)C3)cc2c1C ZINC000012187950 204379316 /nfs/dbraw/zinc/37/93/16/204379316.db2.gz UHNOAMLDQRGROK-QGZVFWFLSA-N 0 0 391.471 4.437 40 0 GIABRN CC(C)Oc1cc(CCC(=O)N2CCc3c([nH]c4ccc(Cl)cc43)C2)on1 ZINC000012220272 204383649 /nfs/dbraw/zinc/38/36/49/204383649.db2.gz GLRKBHLSYCMBJL-UHFFFAOYSA-N 0 0 387.867 4.114 40 0 GIABRN C[C@H]1C[C@H]1C(=O)NCc1ccc(-c2nc(C3CC3)ncc2-c2ccccn2)cc1 ZINC000012221990 204384777 /nfs/dbraw/zinc/38/47/77/204384777.db2.gz ILYIFSYCOMJADB-HNAYVOBHSA-N 0 0 384.483 4.355 40 0 GIABRN C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@H]3CC=CCC3)cc2N1 ZINC000012337972 204398934 /nfs/dbraw/zinc/39/89/34/204398934.db2.gz NNLGDQHSYTXUSZ-BFJAYTPKSA-N 0 0 382.430 4.210 40 0 GIABRN COc1ccc(-c2ccccc2CC2(C(=O)NCC3CC3)CCOCC2)cc1 ZINC000012328969 204398961 /nfs/dbraw/zinc/39/89/61/204398961.db2.gz SRPVRCXSGKXDRE-UHFFFAOYSA-N 0 0 379.500 4.228 40 0 GIABRN O=C(CCc1ccc(Cl)cc1)N1CCC[C@H](c2noc(-c3ccccn3)n2)C1 ZINC000012327596 204399183 /nfs/dbraw/zinc/39/91/83/204399183.db2.gz WCLHDSYQYZGZMC-INIZCTEOSA-N 0 0 396.878 4.124 40 0 GIABRN Cc1ccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccco2)C4)cc1 ZINC000013634272 204500327 /nfs/dbraw/zinc/50/03/27/204500327.db2.gz XYHCUNFCUHELLO-HNNXBMFYSA-N 0 0 390.468 4.231 40 0 GIABRN CC[C@H](C(=O)Nc1ccc(C)c(C)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716106 204506882 /nfs/dbraw/zinc/50/68/82/204506882.db2.gz MKWKAPXJDIYESU-HXUWFJFHSA-N 0 0 388.533 4.104 40 0 GIABRN CCc1cccc(C)c1NC(=O)[C@@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713587 204507645 /nfs/dbraw/zinc/50/76/45/204507645.db2.gz NZXCXDJWILPYAT-LJQANCHMSA-N 0 0 388.533 4.049 40 0 GIABRN COc1ccccc1[C@@H](C)NC(=O)COc1ccc(Cl)cc1Br ZINC000014316218 204531851 /nfs/dbraw/zinc/53/18/51/204531851.db2.gz KBCVRDRNMMALNY-LLVKDONJSA-N 0 0 398.684 4.367 40 0 GIABRN CCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 ZINC000015593042 204569253 /nfs/dbraw/zinc/56/92/53/204569253.db2.gz YAJJICBMPRPSHI-UHFFFAOYSA-N 0 0 398.459 4.441 40 0 GIABRN O=C(NC/C(Br)=C\Br)Nc1cccc2c1CCCC2 ZINC000017002901 204604077 /nfs/dbraw/zinc/60/40/77/204604077.db2.gz NJNSVRZJJCYTBL-DHZHZOJOSA-N 0 0 388.103 4.318 40 0 GIABRN CC[C@H](C(=O)N1CCC[C@@H](c2noc(-c3ccccn3)n2)C1)c1ccccc1 ZINC000019500546 204646567 /nfs/dbraw/zinc/64/65/67/204646567.db2.gz KRRRJNGUOUMXQT-MSOLQXFVSA-N 0 0 376.460 4.031 40 0 GIABRN O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@H](c2cc3ncccc3[nH]2)C1 ZINC000019345297 204637623 /nfs/dbraw/zinc/63/76/23/204637623.db2.gz ARWVJYQNHMNLTM-HNNXBMFYSA-N 0 0 390.418 4.377 40 0 GIABRN COc1ccc(-c2cc(C(=O)Nc3ccccc3Cn3ccnc3C)on2)cc1 ZINC000019718255 204676786 /nfs/dbraw/zinc/67/67/86/204676786.db2.gz LQRAPNPNZPKJCB-UHFFFAOYSA-N 0 0 388.427 4.156 40 0 GIABRN Cn1c2ccccc2nc1[C@@H]1CCCN(C(=O)C(C)(C)c2cccc(F)c2)C1 ZINC000019718516 204677395 /nfs/dbraw/zinc/67/73/95/204677395.db2.gz WFEXVMNIZBMLFI-MRXNPFEDSA-N 0 0 379.479 4.396 40 0 GIABRN CCc1ccccc1Nc1noc2c1CN(C(=O)CCc1c(C)noc1C)CC2 ZINC000019523056 204649672 /nfs/dbraw/zinc/64/96/72/204649672.db2.gz YOBYKRDJKXAACB-UHFFFAOYSA-N 0 0 394.475 4.103 40 0 GIABRN CCC[C@H](C(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)n1nc(C)cc1C ZINC000019501789 204649737 /nfs/dbraw/zinc/64/97/37/204649737.db2.gz MWXUIOYZGIJGBB-VQTJNVASSA-N 0 0 385.508 4.222 40 0 GIABRN COc1ccc(OC)c(CNc2ncc(-c3ccncc3)c(-c3ccco3)n2)c1 ZINC000019551727 204652190 /nfs/dbraw/zinc/65/21/90/204652190.db2.gz AFKWQCWSQITTCA-UHFFFAOYSA-N 0 0 388.427 4.428 40 0 GIABRN CCOc1ccc(CC(=O)N2CCCC[C@H]2c2n[nH]cc2-c2ccncc2)cc1 ZINC000019532949 204653125 /nfs/dbraw/zinc/65/31/25/204653125.db2.gz FDEUHMRBCJTWMW-NRFANRHFSA-N 0 0 390.487 4.167 40 0 GIABRN CCCc1nnc2sc(-c3cccc(NC(=O)c4ccc(C)cc4)c3)nn12 ZINC000020609615 204731263 /nfs/dbraw/zinc/73/12/63/204731263.db2.gz XWNSMRPZPHUSRN-UHFFFAOYSA-N 0 0 377.473 4.366 40 0 GIABRN COc1cc(C=O)ccc1OCc1nc(-c2ccc(Cl)cc2Cl)no1 ZINC000022120950 204775098 /nfs/dbraw/zinc/77/50/98/204775098.db2.gz YXQNYWCPLKEVFT-UHFFFAOYSA-N 0 0 379.199 4.444 40 0 GIABRN O=c1nc2n(c3ccccc13)[C@H](CSc1nc3ccccc3s1)CS2 ZINC000027586423 204857871 /nfs/dbraw/zinc/85/78/71/204857871.db2.gz UXFCQXYAEBLTMS-NSHDSACASA-N 0 0 383.523 4.445 40 0 GIABRN CCCCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2C)cc1 ZINC000030939747 204899887 /nfs/dbraw/zinc/89/98/87/204899887.db2.gz BZRCJVYNBNULBB-UHFFFAOYSA-N 0 0 390.487 4.022 40 0 GIABRN COc1ccc(-c2nnc3sc(/C=C/c4ccc(C)cc4)nn32)cc1OC ZINC000035324125 204985739 /nfs/dbraw/zinc/98/57/39/204985739.db2.gz OFNLLZVDOUKEKM-DHZHZOJOSA-N 0 0 378.457 4.349 40 0 GIABRN CCCCCn1ccc2nc3nc(C)nn3c(-c3ccc(Cl)cc3)c2c1=O ZINC000038828859 205039386 /nfs/dbraw/zinc/03/93/86/205039386.db2.gz USERVDRPXVXKBE-UHFFFAOYSA-N 0 0 381.867 4.258 40 0 GIABRN CC(C)Oc1ccc(CNC(=O)c2ccccc2I)cc1 ZINC000036559410 205017431 /nfs/dbraw/zinc/01/74/31/205017431.db2.gz NLGBJQZYJRAYMI-UHFFFAOYSA-N 0 0 395.240 4.008 40 0 GIABRN COc1ccccc1-c1cc2nc(C)cc(Nc3ccc(NC(C)=O)cc3)n2n1 ZINC000036631421 205020332 /nfs/dbraw/zinc/02/03/32/205020332.db2.gz RFDRAKVVWLBNCA-UHFFFAOYSA-N 0 0 387.443 4.415 40 0 GIABRN Cc1cc(C)c(N[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c(C)c1 ZINC000036635834 205020378 /nfs/dbraw/zinc/02/03/78/205020378.db2.gz KHLJYHMNZYZWDQ-INIZCTEOSA-N 0 0 387.277 4.118 40 0 GIABRN CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(I)cc1 ZINC000038753659 205036867 /nfs/dbraw/zinc/03/68/67/205036867.db2.gz DWPBLDASDIEIQA-UHFFFAOYSA-N 0 0 385.632 4.217 40 0 GIABRN Cc1nccn1-c1ccccc1CNC(=O)CSCc1ccccc1Cl ZINC000038757112 205038542 /nfs/dbraw/zinc/03/85/42/205038542.db2.gz CHKHSXMAUXQATL-UHFFFAOYSA-N 0 0 385.920 4.384 40 0 GIABRN COC(=O)c1c2c(sc1NC(=O)[C@@H](C)Oc1cccc(C)c1C)CCCC2 ZINC000038772300 205038902 /nfs/dbraw/zinc/03/89/02/205038902.db2.gz MTTOTKDBGZHJOF-CQSZACIVSA-N 0 0 387.501 4.436 40 0 GIABRN C[C@@H]1[C@@H](C)CCC[C@@H]1n1ccc2nc3ncnn3c(-c3ccc(F)cc3)c2c1=O ZINC000040398305 205064585 /nfs/dbraw/zinc/06/45/85/205064585.db2.gz AFQMUSZSSYRGRH-IYOUNJFTSA-N 0 0 391.450 4.243 40 0 GIABRN CC(C)(C)OC(=O)N1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000043220452 205082278 /nfs/dbraw/zinc/08/22/78/205082278.db2.gz LNJRJRMSJWSWSJ-UHFFFAOYSA-N 0 0 388.508 4.091 40 0 GIABRN Cc1ccc(CN(CCCn2ccnc2)Cc2cnn(-c3ccccc3)c2)o1 ZINC000043277769 205083646 /nfs/dbraw/zinc/08/36/46/205083646.db2.gz FYJGSCBPGGSZED-UHFFFAOYSA-N 0 0 375.476 4.063 40 0 GIABRN O=C(c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)N1CCCCCC1 ZINC000044847922 205087758 /nfs/dbraw/zinc/08/77/58/205087758.db2.gz QLWILSFOVYCKCO-UHFFFAOYSA-N 0 0 392.908 4.157 40 0 GIABRN Cc1cc(S(=O)(=O)Nc2c(Cl)cccc2Cl)ccc1N1CCCC1=O ZINC000044884730 205087938 /nfs/dbraw/zinc/08/79/38/205087938.db2.gz BHBBAUOJPJGPLH-UHFFFAOYSA-N 0 0 399.299 4.229 40 0 GIABRN COc1cccc(O[C@@H](C)C(=O)NCCSCc2ccccc2Cl)c1 ZINC000044885469 205087962 /nfs/dbraw/zinc/08/79/62/205087962.db2.gz IYVXSNGVQDAHJU-AWEZNQCLSA-N 0 0 379.909 4.166 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccccc1-n1ccnc1C ZINC000044900716 205089312 /nfs/dbraw/zinc/08/93/12/205089312.db2.gz ZTSQWURLQSMQTL-OAQYLSRUSA-N 0 0 377.488 4.271 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1Cl ZINC000044939937 205090581 /nfs/dbraw/zinc/09/05/81/205090581.db2.gz YQKITKYYEKKZGZ-UHFFFAOYSA-N 0 0 397.862 4.322 40 0 GIABRN Cc1nc(-c2ccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)s2)cs1 ZINC000054362813 205140307 /nfs/dbraw/zinc/14/03/07/205140307.db2.gz MCHMCAHISDEIMX-LLVKDONJSA-N 0 0 376.528 4.320 40 0 GIABRN COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 ZINC000059351927 205178222 /nfs/dbraw/zinc/17/82/22/205178222.db2.gz OVDWQTLNIRPHOI-STQMWFEESA-N 0 0 378.266 4.102 40 0 GIABRN COc1ccc(CCCNC(=O)COc2cc(C)ccc2C(C)C)cc1OC ZINC000065086579 205209642 /nfs/dbraw/zinc/20/96/42/205209642.db2.gz NTSIYYVROVGHMH-UHFFFAOYSA-N 0 0 385.504 4.263 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=O)COc2cccc(C(F)(F)F)c2)c1 ZINC000071806519 205298390 /nfs/dbraw/zinc/29/83/90/205298390.db2.gz MDCCRUJKUFWMGQ-UHFFFAOYSA-N 0 0 387.741 4.163 40 0 GIABRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(Br)c(Br)[nH]1 ZINC000071973769 205300663 /nfs/dbraw/zinc/30/06/63/205300663.db2.gz OMPRRUIFFXCQAQ-ZETCQYMHSA-N 0 0 395.095 4.007 40 0 GIABRN Ic1ccc2ccc(I)cc2c1 ZINC000071256701 205278825 /nfs/dbraw/zinc/27/88/25/205278825.db2.gz VKWGMCDDHNYOBD-UHFFFAOYSA-N 0 0 379.966 4.049 40 0 GIABRN CCN(CC)c1ccc(-c2nc3cnccn3c2NCc2ccco2)c(OC)c1 ZINC000072341986 205327224 /nfs/dbraw/zinc/32/72/24/205327224.db2.gz AYHZQEAGMRZYGG-UHFFFAOYSA-N 0 0 391.475 4.456 40 0 GIABRN Cc1cc2nc([C@H]3CCCN(C(=O)c4cccs4)C3)cc(C(F)(F)F)n2n1 ZINC000072340893 205327681 /nfs/dbraw/zinc/32/76/81/205327681.db2.gz XSFQDSRXEXVALZ-LBPRGKRZSA-N 0 0 394.422 4.138 40 0 GIABRN Cc1cc2nc([C@@H]3CCCN(C(=O)c4cccs4)C3)cc(C(F)(F)F)n2n1 ZINC000072340892 205328266 /nfs/dbraw/zinc/32/82/66/205328266.db2.gz XSFQDSRXEXVALZ-GFCCVEGCSA-N 0 0 394.422 4.138 40 0 GIABRN O=C(COc1ccccc1)N1CCC(c2cccc(Cc3ccccc3)n2)CC1 ZINC000072349063 205330195 /nfs/dbraw/zinc/33/01/95/205330195.db2.gz IHVXRBYHDTYCGS-UHFFFAOYSA-N 0 0 386.495 4.457 40 0 GIABRN O=C(c1ccc(=O)[nH]c1)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072349906 205330368 /nfs/dbraw/zinc/33/03/68/205330368.db2.gz MSSLYMMIFMMRMU-QGZVFWFLSA-N 0 0 393.874 4.110 40 0 GIABRN O=C(Cc1ccncc1)N1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000072349424 205331026 /nfs/dbraw/zinc/33/10/26/205331026.db2.gz GNXDWJXRTUFJIV-LJQANCHMSA-N 0 0 375.447 4.231 40 0 GIABRN COc1ccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4ccncc4)C3)n2)cc1 ZINC000072349430 205331139 /nfs/dbraw/zinc/33/11/39/205331139.db2.gz SLTODWHIUFXQLK-HXUWFJFHSA-N 0 0 387.483 4.101 40 0 GIABRN COCC(=O)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072349254 205331167 /nfs/dbraw/zinc/33/11/67/205331167.db2.gz MFGBSMQJAMEUNQ-HNNXBMFYSA-N 0 0 378.394 4.120 40 0 GIABRN Cn1ccnc1CN1CCC(c2cccc(Cc3ccccc3Cl)n2)CC1 ZINC000072350018 205331211 /nfs/dbraw/zinc/33/12/11/205331211.db2.gz VJZSEXZMHVBBAP-UHFFFAOYSA-N 0 0 380.923 4.439 40 0 GIABRN O=C(Cc1ccccn1)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072349489 205331383 /nfs/dbraw/zinc/33/13/83/205331383.db2.gz QVQNUNGSYBGQPB-IBGZPJMESA-N 0 0 389.474 4.155 40 0 GIABRN CC(C)(C)OC(=O)N1CCC(COc2nc3ccccc3nc2Cl)CC1 ZINC000072202974 205318852 /nfs/dbraw/zinc/31/88/52/205318852.db2.gz SAWNVLSLIJPFHA-UHFFFAOYSA-N 0 0 377.872 4.309 40 0 GIABRN COc1ccccc1-c1nccnc1[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000072358482 205334547 /nfs/dbraw/zinc/33/45/47/205334547.db2.gz CENZEOXVUVXORD-KRWDZBQOSA-N 0 0 391.446 4.311 40 0 GIABRN O=C(Cc1cccnc1)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358824 205334581 /nfs/dbraw/zinc/33/45/81/205334581.db2.gz BLLKKAYVCXBCIP-SFHVURJKSA-N 0 0 392.890 4.141 40 0 GIABRN O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072358475 205334731 /nfs/dbraw/zinc/33/47/31/205334731.db2.gz LHQAYNPFASAETE-QGZVFWFLSA-N 0 0 379.410 4.442 40 0 GIABRN O=C(Cc1ccccn1)N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072357938 205334860 /nfs/dbraw/zinc/33/48/60/205334860.db2.gz PNSFJDPSNBHCPY-JOCHJYFZSA-N 0 0 375.447 4.113 40 0 GIABRN O=C(C1CCCC1)N1CC[C@@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371375 205335430 /nfs/dbraw/zinc/33/54/30/205335430.db2.gz OKTNYKVICAGALH-MRXNPFEDSA-N 0 0 387.911 4.191 40 0 GIABRN CCc1nnc([N-]c2cncc([C@H]3CCC[N@@H+]3Cc3cccc(C)c3)n2)s1 ZINC000072376318 205336857 /nfs/dbraw/zinc/33/68/57/205336857.db2.gz QJBIRERNUMAXPL-QGZVFWFLSA-N 0 0 380.521 4.280 40 0 GIABRN Cc1cccnc1Nc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2)n1 ZINC000072375195 205337029 /nfs/dbraw/zinc/33/70/29/205337029.db2.gz GTLDHQRNPPHAFH-IBGZPJMESA-N 0 0 394.500 4.054 40 0 GIABRN Cc1cc(-c2cncnc2)cc([C@H]2CCN(C(=O)c3cccc4cccnc43)C2)n1 ZINC000072374664 205337982 /nfs/dbraw/zinc/33/79/82/205337982.db2.gz ZXSBGGNVMCMOFD-SFHVURJKSA-N 0 0 395.466 4.025 40 0 GIABRN Nc1ncc(-c2ccccc2F)c([C@H]2CCCCN2C(=O)Cc2ccccc2)n1 ZINC000072376889 205338462 /nfs/dbraw/zinc/33/84/62/205338462.db2.gz NRNYUZAHFNVIML-HXUWFJFHSA-N 0 0 390.462 4.161 40 0 GIABRN Cc1ccc(C(=O)N2CCC[C@@H]2c2cncc(Oc3ccc(F)cc3)n2)cn1 ZINC000072384107 205338992 /nfs/dbraw/zinc/33/89/92/205338992.db2.gz WCWHSIURQUGXBT-LJQANCHMSA-N 0 0 378.407 4.089 40 0 GIABRN O=C(NCCc1cccnc1)c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12 ZINC000096154731 205535975 /nfs/dbraw/zinc/53/59/75/205535975.db2.gz IRENLBXGTARLAC-UHFFFAOYSA-N 0 0 399.498 4.285 40 0 GIABRN CC(C)CN(C)C(=O)c1cnc(-c2noc3cc(N4CCCC4)ccc32)s1 ZINC000096154555 205536460 /nfs/dbraw/zinc/53/64/60/205536460.db2.gz NFDKBBYTUCPVTN-UHFFFAOYSA-N 0 0 384.505 4.280 40 0 GIABRN COCCNC(=O)c1cc2ccc(-c3cccc(Cl)c3)cn2c1-c1cocn1 ZINC000096155479 205537360 /nfs/dbraw/zinc/53/73/60/205537360.db2.gz PEQLLFKJLLCJFM-UHFFFAOYSA-N 0 0 395.846 4.291 40 0 GIABRN CC(C)(C)OC(=O)N1C=C[C@@H]2C=C[C@H]1[C@@H]1C=CC=C[C@@H]2N1C(=O)OC(C)(C)C ZINC000045069525 205663306 /nfs/dbraw/zinc/66/33/06/205663306.db2.gz FRIGDPSCLKFRAD-XSLAGTTESA-N 0 0 386.492 4.406 40 0 GIABRN O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000001330137 205709057 /nfs/dbraw/zinc/70/90/57/205709057.db2.gz JAFKCCDQMRLGCJ-KRWDZBQOSA-N 0 0 397.858 4.268 40 0 GIABRN O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1Cl)C[C@H]1CCCO1 ZINC000001330135 205709252 /nfs/dbraw/zinc/70/92/52/205709252.db2.gz JAFKCCDQMRLGCJ-QGZVFWFLSA-N 0 0 397.858 4.268 40 0 GIABRN COc1ccc(CNC(=O)c2sc3nc4c(C)cccc4cc3c2N)cc1 ZINC000001342886 205710841 /nfs/dbraw/zinc/71/08/41/205710841.db2.gz DEHISTUJNQIWPT-UHFFFAOYSA-N 0 0 377.469 4.279 40 0 GIABRN Cc1ccc(NC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1C ZINC000001367997 205711400 /nfs/dbraw/zinc/71/14/00/205711400.db2.gz ATHXCCUTFKCETL-UHFFFAOYSA-N 0 0 399.541 4.211 40 0 GIABRN CCC(=O)N(Cc1ccc(OC)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001359481 205711533 /nfs/dbraw/zinc/71/15/33/205711533.db2.gz BWVCFASORVUNNN-UHFFFAOYSA-N 0 0 378.472 4.092 40 0 GIABRN O=C(c1ccc(F)cc1F)N1CCC[C@H](c2nc(-c3cccs3)no2)C1 ZINC000001364195 205711604 /nfs/dbraw/zinc/71/16/04/205711604.db2.gz GBRSCSUKEJOUPE-NSHDSACASA-N 0 0 375.400 4.096 40 0 GIABRN CC(=O)N1CCc2cc(-c3csc(NC(=O)c4cccc(C)c4)n3)ccc21 ZINC000001365506 205711674 /nfs/dbraw/zinc/71/16/74/205711674.db2.gz HNGGDTYXAYQAOR-UHFFFAOYSA-N 0 0 377.469 4.280 40 0 GIABRN COc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccccc4Cl)C3)n2)c1 ZINC000001360518 205712284 /nfs/dbraw/zinc/71/22/84/205712284.db2.gz YKXVQCDBRNEXLA-HNNXBMFYSA-N 0 0 397.862 4.418 40 0 GIABRN COc1ccc(NC(=O)CSc2nnc3c(C)cc4ccc(C)cc4n23)cc1 ZINC000000903028 205701242 /nfs/dbraw/zinc/70/12/42/205701242.db2.gz MNIQKOCJARPORT-UHFFFAOYSA-N 0 0 392.484 4.239 40 0 GIABRN COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(C)c3ccccc3C2c2ccccc21 ZINC000003190449 205724488 /nfs/dbraw/zinc/72/44/88/205724488.db2.gz AIRPQIWHBMIGBH-QQNJPBSNSA-N 0 0 395.458 4.266 40 0 GIABRN CCc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)c1ccc(Cl)nc1 ZINC000004986473 205757791 /nfs/dbraw/zinc/75/77/91/205757791.db2.gz UMXVLQIRACVKIU-UHFFFAOYSA-N 0 0 399.922 4.393 40 0 GIABRN CCOc1c(Br)cc(C(=O)Nc2ccccc2OC)cc1OC ZINC000005558432 205817531 /nfs/dbraw/zinc/81/75/31/205817531.db2.gz GINKFIPWJOTEHH-UHFFFAOYSA-N 0 0 380.238 4.117 40 0 GIABRN COc1cc(C=O)ccc1OCCCSc1nnc(-c2ccc(C)cc2)n1C ZINC000008731739 205825141 /nfs/dbraw/zinc/82/51/41/205825141.db2.gz WSDFBWIOULJSNH-UHFFFAOYSA-N 0 0 397.500 4.173 40 0 GIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000219322606 205954700 /nfs/dbraw/zinc/95/47/00/205954700.db2.gz XDLXMQOGPHLGKW-MRXNPFEDSA-N 0 0 385.851 4.206 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000219371698 205956521 /nfs/dbraw/zinc/95/65/21/205956521.db2.gz YICALGVGPCOEJG-QGZVFWFLSA-N 0 0 399.878 4.481 40 0 GIABRN COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1)CC(C)(C)O2 ZINC000219550370 205957626 /nfs/dbraw/zinc/95/76/26/205957626.db2.gz DOMNMCNNCSZOKD-OXJNMPFZSA-N 0 0 383.488 4.498 40 0 GIABRN CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219566435 205958875 /nfs/dbraw/zinc/95/88/75/205958875.db2.gz ZVEFAMIYBUYUJR-ZWKOTPCHSA-N 0 0 399.487 4.280 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 ZINC000222449029 205978747 /nfs/dbraw/zinc/97/87/47/205978747.db2.gz SFKHPAGNFFJFMK-QFIPXVFZSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220530300 205972317 /nfs/dbraw/zinc/97/23/17/205972317.db2.gz RXMOYUQINARCGC-KRWDZBQOSA-N 0 0 394.924 4.140 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)CSCc3cccc(C)c3)n2)cc1 ZINC000222747426 205986260 /nfs/dbraw/zinc/98/62/60/205986260.db2.gz SBFXXEPICQAHTF-UHFFFAOYSA-N 0 0 381.501 4.245 40 0 GIABRN CC(C)CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000222768091 205986598 /nfs/dbraw/zinc/98/65/98/205986598.db2.gz NUNPUANWYGWFJS-FQEVSTJZSA-N 0 0 380.532 4.199 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 ZINC000222734313 205987009 /nfs/dbraw/zinc/98/70/09/205987009.db2.gz KXLGGHHZMOZIPH-AWEZNQCLSA-N 0 0 393.314 4.089 40 0 GIABRN Cc1ccc(C(C)C)c(OCC(=O)N(C)Cc2nc(-c3ccccc3)no2)c1 ZINC000223416710 206000006 /nfs/dbraw/zinc/00/00/06/206000006.db2.gz YFZISYZGDCRKPM-UHFFFAOYSA-N 0 0 379.460 4.206 40 0 GIABRN CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000222912096 205989188 /nfs/dbraw/zinc/98/91/88/205989188.db2.gz ZEIJMCRRGMNFER-HNNXBMFYSA-N 0 0 390.886 4.169 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C ZINC000223092788 205990934 /nfs/dbraw/zinc/99/09/34/205990934.db2.gz WQGRQJMSNIMPCJ-FQEVSTJZSA-N 0 0 380.532 4.180 40 0 GIABRN CC[C@@H](NS(=O)(=O)c1cc(OC)ccc1OC)c1ccc2c(c1)CCCC2 ZINC000223130869 205992123 /nfs/dbraw/zinc/99/21/23/205992123.db2.gz QZORSCOCVWNJFH-LJQANCHMSA-N 0 0 389.517 4.012 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C ZINC000223142510 205993652 /nfs/dbraw/zinc/99/36/52/205993652.db2.gz YEUJXEVOERKIHH-FQEVSTJZSA-N 0 0 386.923 4.053 40 0 GIABRN Cc1ccccc1-c1noc(CNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)n1 ZINC000223190176 205993775 /nfs/dbraw/zinc/99/37/75/205993775.db2.gz CBWNBCIKRMNJAG-MRXNPFEDSA-N 0 0 391.471 4.008 40 0 GIABRN CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccc(OC)cc1 ZINC000223442358 206000433 /nfs/dbraw/zinc/00/04/33/206000433.db2.gz UZPSHGPWRXWAGS-LEWJYISDSA-N 0 0 392.528 4.084 40 0 GIABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)o2)cc1 ZINC000223407878 206000514 /nfs/dbraw/zinc/00/05/14/206000514.db2.gz IQZASWOQDRWMBD-UXHICEINSA-N 0 0 379.485 4.164 40 0 GIABRN COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OC ZINC000222573131 205981514 /nfs/dbraw/zinc/98/15/14/205981514.db2.gz CRWYQJVFDJPHPJ-YMRXKLBXSA-N 0 0 389.908 4.342 40 0 GIABRN Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222658712 205982696 /nfs/dbraw/zinc/98/26/96/205982696.db2.gz WGGYXTDBKAELFX-LJQANCHMSA-N 0 0 396.531 4.014 40 0 GIABRN Cc1ccc(C)c(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222663342 205983183 /nfs/dbraw/zinc/98/31/83/205983183.db2.gz GGJYCTMNLHCDKA-LJQANCHMSA-N 0 0 396.531 4.014 40 0 GIABRN O=C(CCc1ccc2c(c1)OCO2)NCCSCc1cccc(Cl)c1 ZINC000222648684 205983209 /nfs/dbraw/zinc/98/32/09/205983209.db2.gz BBGYDJFYKJDGDN-UHFFFAOYSA-N 0 0 377.893 4.051 40 0 GIABRN Cc1ccc2c(c1)[C@H](NC(=O)CCc1ccc3c(c1)OCCO3)CC(C)(C)O2 ZINC000222645089 205983514 /nfs/dbraw/zinc/98/35/14/205983514.db2.gz LBUSZEISMZZPQO-GOSISDBHSA-N 0 0 381.472 4.117 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3c(C)c(C)n(CCOC)c3C)N21 ZINC000222719389 205984573 /nfs/dbraw/zinc/98/45/73/205984573.db2.gz KGEJMYFIXYTJBE-JRGCBEDISA-N 0 0 398.576 4.434 40 0 GIABRN CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000223471925 206001919 /nfs/dbraw/zinc/00/19/19/206001919.db2.gz WEOGDLMCQQQYSX-HSZRJFAPSA-N 0 0 390.458 4.232 40 0 GIABRN CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccncc1 ZINC000223505269 206001978 /nfs/dbraw/zinc/00/19/78/206001978.db2.gz ATMNTQKZVKBPQK-VQTJNVASSA-N 0 0 377.517 4.032 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 ZINC000223604792 206002510 /nfs/dbraw/zinc/00/25/10/206002510.db2.gz KAXMDHUWZARRAK-QFIPXVFZSA-N 0 0 396.531 4.098 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl ZINC000223587530 206002622 /nfs/dbraw/zinc/00/26/22/206002622.db2.gz YJEIHBIITDVZNF-KRWDZBQOSA-N 0 0 386.923 4.134 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1C ZINC000223594561 206002774 /nfs/dbraw/zinc/00/27/74/206002774.db2.gz GEOUUSZJEGLURT-IBGZPJMESA-N 0 0 398.572 4.090 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C ZINC000223635972 206003800 /nfs/dbraw/zinc/00/38/00/206003800.db2.gz QZZFMHGFSUMPPX-IBGZPJMESA-N 0 0 396.531 4.051 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl ZINC000223676847 206004051 /nfs/dbraw/zinc/00/40/51/206004051.db2.gz ZKFVPGKDSQBSAD-KRWDZBQOSA-N 0 0 386.923 4.134 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223741247 206005443 /nfs/dbraw/zinc/00/54/43/206005443.db2.gz RPJCGUCPLNOTCF-HXUWFJFHSA-N 0 0 392.543 4.404 40 0 GIABRN Cc1ccccc1CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC1CCCC1 ZINC000223791132 206005551 /nfs/dbraw/zinc/00/55/51/206005551.db2.gz ZBZLZIXLSYIBRS-FQEVSTJZSA-N 0 0 392.543 4.322 40 0 GIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223761301 206005822 /nfs/dbraw/zinc/00/58/22/206005822.db2.gz XMCWRFNIQFDZJI-PGRDOPGGSA-N 0 0 398.522 4.480 40 0 GIABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000223755420 206005960 /nfs/dbraw/zinc/00/59/60/206005960.db2.gz ONJDPFODWSRQQP-QGZVFWFLSA-N 0 0 398.934 4.359 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223807676 206005976 /nfs/dbraw/zinc/00/59/76/206005976.db2.gz UPBJTNADOMDKTJ-IBGZPJMESA-N 0 0 378.516 4.014 40 0 GIABRN CC(C)c1ccccc1OCCNS(=O)(=O)Cc1c(F)cccc1Cl ZINC000223778257 206006385 /nfs/dbraw/zinc/00/63/85/206006385.db2.gz FNKGHJVJCQBJMZ-UHFFFAOYSA-N 0 0 385.888 4.101 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223753939 206006425 /nfs/dbraw/zinc/00/64/25/206006425.db2.gz HODOYTHERLTMEM-AWEZNQCLSA-N 0 0 393.314 4.089 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1C ZINC000223842336 206007740 /nfs/dbraw/zinc/00/77/40/206007740.db2.gz SJZPQPCWOAOSCJ-KRWDZBQOSA-N 0 0 386.923 4.134 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(C)c1 ZINC000223842469 206007745 /nfs/dbraw/zinc/00/77/45/206007745.db2.gz BEOVNYGBKNYIID-KRWDZBQOSA-N 0 0 386.923 4.134 40 0 GIABRN Cc1cc(C)c(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000223854474 206007796 /nfs/dbraw/zinc/00/77/96/206007796.db2.gz CMMMLMHHQLRPEJ-UHFFFAOYSA-N 0 0 375.534 4.267 40 0 GIABRN CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 ZINC000223846458 206007841 /nfs/dbraw/zinc/00/78/41/206007841.db2.gz LCSQXRLRISNQIS-PMACEKPBSA-N 0 0 378.501 4.347 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(C(=O)OC)ccc1OC ZINC000223869242 206007852 /nfs/dbraw/zinc/00/78/52/206007852.db2.gz YGOLGNRYRGPVJT-HXUWFJFHSA-N 0 0 397.471 4.157 40 0 GIABRN Cc1ccccc1CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCC1 ZINC000223901735 206008331 /nfs/dbraw/zinc/00/83/31/206008331.db2.gz SIGYTMWZKXNVFD-SFHVURJKSA-N 0 0 396.506 4.153 40 0 GIABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)[nH]1 ZINC000223885301 206009241 /nfs/dbraw/zinc/00/92/41/206009241.db2.gz GJUKDBXWUDQHOK-SFTDATJTSA-N 0 0 391.544 4.270 40 0 GIABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)[nH]1 ZINC000223885160 206009337 /nfs/dbraw/zinc/00/93/37/206009337.db2.gz GJUKDBXWUDQHOK-NHCUHLMSSA-N 0 0 391.544 4.270 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C)cc2)cc1 ZINC000223980490 206010075 /nfs/dbraw/zinc/01/00/75/206010075.db2.gz SQDJNMGAUWOFTD-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000224055876 206011283 /nfs/dbraw/zinc/01/12/83/206011283.db2.gz APLPMMRNEMOEIP-QGZVFWFLSA-N 0 0 396.597 4.083 40 0 GIABRN CCC(CC)NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000224064026 206012393 /nfs/dbraw/zinc/01/23/93/206012393.db2.gz LGJSETPTRQEUBR-UHFFFAOYSA-N 0 0 394.924 4.368 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1F ZINC000224075214 206012639 /nfs/dbraw/zinc/01/26/39/206012639.db2.gz RZWMHPFCUBQSHX-JOCHJYFZSA-N 0 0 398.522 4.134 40 0 GIABRN COc1ccc(C(=O)N2CCOCC2)cc1COc1ccccc1C(C)(C)C ZINC000224173601 206014446 /nfs/dbraw/zinc/01/44/46/206014446.db2.gz MNPKWIOESUXTQK-UHFFFAOYSA-N 0 0 383.488 4.044 40 0 GIABRN CC[C@@H](Oc1ccccc1OC)C(=O)NCCOc1ccc(C)c(Cl)c1 ZINC000224169278 206014842 /nfs/dbraw/zinc/01/48/42/206014842.db2.gz JRJWUBUCWWUVIS-QGZVFWFLSA-N 0 0 377.868 4.010 40 0 GIABRN COC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2C(C)(C)C)c1 ZINC000224176543 206014966 /nfs/dbraw/zinc/01/49/66/206014966.db2.gz WAJDNCICOYDXKA-INIZCTEOSA-N 0 0 385.504 4.336 40 0 GIABRN CC(C)(C)c1ccc(OCCNS(=O)(=O)Cc2cccc(Cl)c2)cc1 ZINC000224174788 206015140 /nfs/dbraw/zinc/01/51/40/206015140.db2.gz WTOFDYODEKZLNF-UHFFFAOYSA-N 0 0 381.925 4.136 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 ZINC000224181880 206015219 /nfs/dbraw/zinc/01/52/19/206015219.db2.gz VGFGIELRLARLFS-FQEVSTJZSA-N 0 0 384.545 4.031 40 0 GIABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1F ZINC000224154881 206015242 /nfs/dbraw/zinc/01/52/42/206015242.db2.gz XVPWMZGJXMTKGU-JOCHJYFZSA-N 0 0 396.506 4.234 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 ZINC000224181828 206015338 /nfs/dbraw/zinc/01/53/38/206015338.db2.gz VGFGIELRLARLFS-HXUWFJFHSA-N 0 0 384.545 4.031 40 0 GIABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccc(C)c(Cl)c1 ZINC000224151001 206015345 /nfs/dbraw/zinc/01/53/45/206015345.db2.gz HFOXJAAXMNEZOE-LJQANCHMSA-N 0 0 377.868 4.010 40 0 GIABRN CCCC[C@@H](CC)CNC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000224149926 206015430 /nfs/dbraw/zinc/01/54/30/206015430.db2.gz SQIQONGHXWEZLX-LJQANCHMSA-N 0 0 396.597 4.182 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl ZINC000224179723 206015570 /nfs/dbraw/zinc/01/55/70/206015570.db2.gz MUKYWKMTNGIJPO-FQEVSTJZSA-N 0 0 386.923 4.134 40 0 GIABRN Cc1cc(C(=O)NC(C)(C)C)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224214031 206015830 /nfs/dbraw/zinc/01/58/30/206015830.db2.gz MMJAVGRNQBTBRX-UHFFFAOYSA-N 0 0 394.924 4.002 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 ZINC000224247598 206016005 /nfs/dbraw/zinc/01/60/05/206016005.db2.gz AQPASOXSSFKAMM-CYBMUJFWSA-N 0 0 387.863 4.411 40 0 GIABRN CSc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1NC(=O)C(C)C ZINC000224216417 206016089 /nfs/dbraw/zinc/01/60/89/206016089.db2.gz RHHYMJYCLHAQFA-UHFFFAOYSA-N 0 0 378.519 4.112 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 ZINC000224208442 206016170 /nfs/dbraw/zinc/01/61/70/206016170.db2.gz JCBDAFFXLPATLU-QFIPXVFZSA-N 0 0 380.532 4.180 40 0 GIABRN Cc1cc(C(=O)Nc2cccc(F)c2)ccc1N(C)S(=O)(=O)c1ccccc1 ZINC000224193263 206016317 /nfs/dbraw/zinc/01/63/17/206016317.db2.gz IBTBJRAPTCVWLG-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3)cc2C)cc1 ZINC000224204847 206016357 /nfs/dbraw/zinc/01/63/57/206016357.db2.gz KUISWJQBTPUGNE-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN CCC(C)(C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000224213031 206016410 /nfs/dbraw/zinc/01/64/10/206016410.db2.gz SHWXXMUHPRECEU-UHFFFAOYSA-N 0 0 388.533 4.047 40 0 GIABRN Cc1ccccc1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 ZINC000224252196 206016587 /nfs/dbraw/zinc/01/65/87/206016587.db2.gz UIUOGWQKHXMVSB-UHFFFAOYSA-N 0 0 380.469 4.072 40 0 GIABRN O=C(N[C@H]1CCCc2ccccc21)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000224221922 206016904 /nfs/dbraw/zinc/01/69/04/206016904.db2.gz MKAQFBDLFIBQHH-YVUGPFRESA-N 0 0 386.451 4.244 40 0 GIABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000224237501 206017032 /nfs/dbraw/zinc/01/70/32/206017032.db2.gz CGJKSBYCALUAKM-MRXNPFEDSA-N 0 0 394.515 4.500 40 0 GIABRN CCC(C)(C)NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000224312583 206017719 /nfs/dbraw/zinc/01/77/19/206017719.db2.gz LMTNEHNQUDVAOS-UHFFFAOYSA-N 0 0 388.533 4.047 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N(C)c3ccccc3)c2)cc1 ZINC000224262509 206017817 /nfs/dbraw/zinc/01/78/17/206017817.db2.gz ZZQQJKIHHNSWNV-UHFFFAOYSA-N 0 0 394.496 4.097 40 0 GIABRN CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccncc1 ZINC000223505226 206000780 /nfs/dbraw/zinc/00/07/80/206000780.db2.gz ATMNTQKZVKBPQK-UXHICEINSA-N 0 0 377.517 4.032 40 0 GIABRN CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1cccnc1 ZINC000223468955 206001210 /nfs/dbraw/zinc/00/12/10/206001210.db2.gz HXPQUBRPQSEEIO-UXHICEINSA-N 0 0 377.517 4.032 40 0 GIABRN CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1 ZINC000223491652 206001220 /nfs/dbraw/zinc/00/12/20/206001220.db2.gz QJKBLTIMMUQWFU-UXHICEINSA-N 0 0 391.544 4.206 40 0 GIABRN CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C ZINC000223492479 206001470 /nfs/dbraw/zinc/00/14/70/206001470.db2.gz VNPCHWWKZFTHMK-RTWAWAEBSA-N 0 0 391.544 4.088 40 0 GIABRN CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1cccnc1 ZINC000223468911 206001708 /nfs/dbraw/zinc/00/17/08/206001708.db2.gz HXPQUBRPQSEEIO-WOJBJXKFSA-N 0 0 377.517 4.032 40 0 GIABRN CCC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223480853 206001812 /nfs/dbraw/zinc/00/18/12/206001812.db2.gz QQXVXEBLKQTDNU-UGKGYDQZSA-N 0 0 380.532 4.260 40 0 GIABRN CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1cccnc1 ZINC000223469065 206001822 /nfs/dbraw/zinc/00/18/22/206001822.db2.gz HXPQUBRPQSEEIO-PMACEKPBSA-N 0 0 377.517 4.032 40 0 GIABRN CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1 ZINC000223455933 206001838 /nfs/dbraw/zinc/00/18/38/206001838.db2.gz BSQHOSNKHBMXKZ-PMACEKPBSA-N 0 0 391.544 4.206 40 0 GIABRN CCN(c1ccc(C(=O)Nc2ccccc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000224353662 206019533 /nfs/dbraw/zinc/01/95/33/206019533.db2.gz DFVXYYDQVPCUGS-UHFFFAOYSA-N 0 0 394.496 4.463 40 0 GIABRN COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COCc1ccccc1 ZINC000224358235 206019680 /nfs/dbraw/zinc/01/96/80/206019680.db2.gz BXWPULMGUVULBE-UHFFFAOYSA-N 0 0 379.431 4.481 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCSc2ccccc2)cc1C(C)C ZINC000224409231 206021099 /nfs/dbraw/zinc/02/10/99/206021099.db2.gz VCAROMPMADNWCD-UHFFFAOYSA-N 0 0 379.547 4.198 40 0 GIABRN Cc1ccc(CCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224502925 206021607 /nfs/dbraw/zinc/02/16/07/206021607.db2.gz RLQDQWDRLJDMRW-OAQYLSRUSA-N 0 0 394.559 4.160 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CSc1ccccc1 ZINC000224517392 206022401 /nfs/dbraw/zinc/02/24/01/206022401.db2.gz YLXZJHQCKAJLPM-OAQYLSRUSA-N 0 0 398.572 4.358 40 0 GIABRN COc1cc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c(OC)cc1Cl ZINC000027970462 206022607 /nfs/dbraw/zinc/02/26/07/206022607.db2.gz GRAKSWJAOKQYMI-UHFFFAOYSA-N 0 0 399.878 4.471 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 ZINC000225056988 206035580 /nfs/dbraw/zinc/03/55/80/206035580.db2.gz UZRRIQUOWZGWBA-UXHICEINSA-N 0 0 380.532 4.260 40 0 GIABRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C)c1C ZINC000224563044 206023259 /nfs/dbraw/zinc/02/32/59/206023259.db2.gz JRTNXSTVAQSRED-SFTDATJTSA-N 0 0 392.528 4.223 40 0 GIABRN CCOc1ccc(S(=O)(=O)N(CC)c2cccc(Br)c2)cc1 ZINC000224582614 206023342 /nfs/dbraw/zinc/02/33/42/206023342.db2.gz JPPANPWZVGRJRN-UHFFFAOYSA-N 0 0 384.295 4.063 40 0 GIABRN CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224627913 206024986 /nfs/dbraw/zinc/02/49/86/206024986.db2.gz RVNBTBGGWALUJM-UHFFFAOYSA-N 0 0 396.242 4.495 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)cc1 ZINC000224662150 206025051 /nfs/dbraw/zinc/02/50/51/206025051.db2.gz MZNIUSQPETWABZ-GOSISDBHSA-N 0 0 384.495 4.009 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C ZINC000224665607 206025248 /nfs/dbraw/zinc/02/52/48/206025248.db2.gz WYBAHTVNZOBWFK-LJQANCHMSA-N 0 0 396.531 4.132 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000224637846 206025301 /nfs/dbraw/zinc/02/53/01/206025301.db2.gz PZYMGCNFTSLSMI-QGZVFWFLSA-N 0 0 386.923 4.133 40 0 GIABRN CCOc1ccc(C(=O)N2CCN(CC)CC2)cc1COc1ccc(C)c(C)c1 ZINC000224625669 206025837 /nfs/dbraw/zinc/02/58/37/206025837.db2.gz ORLKHZLVQLZULC-UHFFFAOYSA-N 0 0 396.531 4.059 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)cc2)c(Cl)c1Cl ZINC000224614804 206025987 /nfs/dbraw/zinc/02/59/87/206025987.db2.gz CNGOOKVQUGYPGN-UHFFFAOYSA-N 0 0 380.680 4.481 40 0 GIABRN CCOc1ccc(C(=O)N2CCOCC2)cc1COc1cc(C)cc(C)c1C ZINC000224613451 206025998 /nfs/dbraw/zinc/02/59/98/206025998.db2.gz IOKFIPIVIORPOT-UHFFFAOYSA-N 0 0 383.488 4.062 40 0 GIABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1F ZINC000224677367 206026389 /nfs/dbraw/zinc/02/63/89/206026389.db2.gz DLCDGITVWWQCCH-SFHVURJKSA-N 0 0 396.506 4.234 40 0 GIABRN Cc1ccccc1CN(C(=O)Cc1ccccc1)[C@@H](C)C(=O)NC1CCCCC1 ZINC000224678127 206026580 /nfs/dbraw/zinc/02/65/80/206026580.db2.gz DGSBSVMWRCGGKO-FQEVSTJZSA-N 0 0 392.543 4.404 40 0 GIABRN COc1ccc(CCCNC(=O)CSCc2ccc(Cl)cc2F)cc1 ZINC000224778760 206027677 /nfs/dbraw/zinc/02/76/77/206027677.db2.gz GZVVDFQDMQUTRZ-UHFFFAOYSA-N 0 0 381.900 4.470 40 0 GIABRN CCCC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC1CCCC1 ZINC000224761921 206027947 /nfs/dbraw/zinc/02/79/47/206027947.db2.gz OAVLYLCTYMDWOV-AWEZNQCLSA-N 0 0 395.341 4.025 40 0 GIABRN CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000224740620 206028240 /nfs/dbraw/zinc/02/82/40/206028240.db2.gz MYOBMAMSJVBIPI-UHFFFAOYSA-N 0 0 398.322 4.452 40 0 GIABRN CCCC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224819533 206028630 /nfs/dbraw/zinc/02/86/30/206028630.db2.gz UQZPBYMJQPSCGH-JOCHJYFZSA-N 0 0 380.532 4.260 40 0 GIABRN CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000224875156 206028824 /nfs/dbraw/zinc/02/88/24/206028824.db2.gz ZWURAQIJLHLYHD-UHFFFAOYSA-N 0 0 398.322 4.290 40 0 GIABRN CCC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224867014 206028888 /nfs/dbraw/zinc/02/88/88/206028888.db2.gz JXMOEHQHVLENKR-HSZRJFAPSA-N 0 0 392.543 4.404 40 0 GIABRN CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc4c(c3)OCO4)o2)cc1 ZINC000224859328 206028960 /nfs/dbraw/zinc/02/89/60/206028960.db2.gz GSXNKZDWMWRQTQ-UHFFFAOYSA-N 0 0 380.400 4.040 40 0 GIABRN COc1ccc(-c2cnc(CCC(=O)NCCC3=CCCCC3)o2)c(OC)c1 ZINC000224865270 206029027 /nfs/dbraw/zinc/02/90/27/206029027.db2.gz YUABOHPNSHXHPA-UHFFFAOYSA-N 0 0 384.476 4.298 40 0 GIABRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)n1C ZINC000224864685 206029055 /nfs/dbraw/zinc/02/90/55/206029055.db2.gz SEXVUBVAZMLDKD-RTBURBONSA-N 0 0 398.919 4.265 40 0 GIABRN CCOc1ccc(-c2cnc(CCC(=O)Nc3cccc(NC(C)=O)c3)o2)cc1 ZINC000224862548 206029279 /nfs/dbraw/zinc/02/92/79/206029279.db2.gz IWXCQJCZFDQUHU-UHFFFAOYSA-N 0 0 393.443 4.270 40 0 GIABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000224819620 206029418 /nfs/dbraw/zinc/02/94/18/206029418.db2.gz NPGNMBLOPQAFJF-SFHVURJKSA-N 0 0 396.506 4.234 40 0 GIABRN COc1ccc2cc(S(=O)(=O)NCc3cccc(OC(C)C)c3)ccc2c1 ZINC000224886593 206030234 /nfs/dbraw/zinc/03/02/34/206030234.db2.gz SHKIFEKQSYRCIS-UHFFFAOYSA-N 0 0 385.485 4.114 40 0 GIABRN COc1cccc(OCCNC(=O)CSCc2cccc3ccccc32)c1 ZINC000224954092 206030311 /nfs/dbraw/zinc/03/03/11/206030311.db2.gz MTMGCWDVYWKBHK-UHFFFAOYSA-N 0 0 381.497 4.277 40 0 GIABRN CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224932156 206030545 /nfs/dbraw/zinc/03/05/45/206030545.db2.gz MZBUCUHQYXVFOU-UHFFFAOYSA-N 0 0 390.288 4.226 40 0 GIABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1Cl ZINC000224948701 206030570 /nfs/dbraw/zinc/03/05/70/206030570.db2.gz JRKNXNITWHJEIO-MSOLQXFVSA-N 0 0 384.892 4.249 40 0 GIABRN CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1O ZINC000224884612 206031126 /nfs/dbraw/zinc/03/11/26/206031126.db2.gz PRFDKXBRTYUCEB-OALUTQOASA-N 0 0 398.919 4.439 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 ZINC000225054118 206036073 /nfs/dbraw/zinc/03/60/73/206036073.db2.gz FAFVMGTVXLWMRV-OALUTQOASA-N 0 0 398.572 4.419 40 0 GIABRN CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000224901499 206031207 /nfs/dbraw/zinc/03/12/07/206031207.db2.gz BODYNGZZMKBIJD-UHFFFAOYSA-N 0 0 387.288 4.167 40 0 GIABRN CN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000224919393 206031622 /nfs/dbraw/zinc/03/16/22/206031622.db2.gz HNONNHBBBNSOSB-UHFFFAOYSA-N 0 0 378.650 4.067 40 0 GIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224982557 206031994 /nfs/dbraw/zinc/03/19/94/206031994.db2.gz KUCXHRYRYIBQJK-OAQYLSRUSA-N 0 0 384.495 4.090 40 0 GIABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000225004705 206032423 /nfs/dbraw/zinc/03/24/23/206032423.db2.gz HHCACZHGORYGQO-HSZRJFAPSA-N 0 0 392.543 4.485 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000224994647 206032650 /nfs/dbraw/zinc/03/26/50/206032650.db2.gz BFXLOOLDHLCGQI-WOJBJXKFSA-N 0 0 380.532 4.260 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1C ZINC000224972896 206032751 /nfs/dbraw/zinc/03/27/51/206032751.db2.gz ZGYYUTDMHQRPEN-QHCPKHFHSA-N 0 0 394.559 4.160 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1 ZINC000224995829 206033010 /nfs/dbraw/zinc/03/30/10/206033010.db2.gz JCHBDLHRFHQDDA-PMACEKPBSA-N 0 0 396.531 4.014 40 0 GIABRN CCOc1ccc(CNS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000224963830 206033162 /nfs/dbraw/zinc/03/31/62/206033162.db2.gz NQAQVEQZMUOJCR-UHFFFAOYSA-N 0 0 377.506 4.004 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccco2)N1C1CCCC1 ZINC000225011673 206033506 /nfs/dbraw/zinc/03/35/06/206033506.db2.gz JAMKMDWLNCUIBI-RTWAWAEBSA-N 0 0 392.528 4.440 40 0 GIABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C ZINC000225042710 206033513 /nfs/dbraw/zinc/03/35/13/206033513.db2.gz QEMXLZSDGSEZGH-ZDUSSCGKSA-N 0 0 384.501 4.304 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 ZINC000225052454 206033870 /nfs/dbraw/zinc/03/38/70/206033870.db2.gz XFTOHKNGULJWTG-NHCUHLMSSA-N 0 0 394.559 4.486 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C ZINC000225012771 206033901 /nfs/dbraw/zinc/03/39/01/206033901.db2.gz WKGBIYIKQFJVKB-UXHICEINSA-N 0 0 396.531 4.014 40 0 GIABRN COc1ccccc1[C@@H](C)NC(=O)c1ccc(C)cc1I ZINC000225034441 206033987 /nfs/dbraw/zinc/03/39/87/206033987.db2.gz IKYSRYSESBZIKS-GFCCVEGCSA-N 0 0 395.240 4.099 40 0 GIABRN O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(N2CCOCC2)cc1 ZINC000225018240 206034525 /nfs/dbraw/zinc/03/45/25/206034525.db2.gz YFXSCEAIOMCLDT-UHFFFAOYSA-N 0 0 379.287 4.401 40 0 GIABRN Cc1ccc(C(=O)NC[C@H](C)c2ccccc2)c(I)c1 ZINC000225029811 206034544 /nfs/dbraw/zinc/03/45/44/206034544.db2.gz ZHYVINSCCKXFBG-ZDUSSCGKSA-N 0 0 379.241 4.133 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1C ZINC000225052192 206034580 /nfs/dbraw/zinc/03/45/80/206034580.db2.gz UEDRZNRTRQNNOH-UXHICEINSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccccc1 ZINC000225017209 206034641 /nfs/dbraw/zinc/03/46/41/206034641.db2.gz HTIZTBJKXQILRY-VQTJNVASSA-N 0 0 380.532 4.260 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1C ZINC000225102650 206037449 /nfs/dbraw/zinc/03/74/49/206037449.db2.gz MIGJCODVKZYYCQ-OAQYLSRUSA-N 0 0 396.531 4.016 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 ZINC000225097332 206037609 /nfs/dbraw/zinc/03/76/09/206037609.db2.gz NLJIMARZOUZLKB-VQTJNVASSA-N 0 0 380.532 4.260 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 ZINC000225123996 206037731 /nfs/dbraw/zinc/03/77/31/206037731.db2.gz MKTGUJIHLUPXOA-HSZRJFAPSA-N 0 0 394.559 4.488 40 0 GIABRN CCn1c(=O)sc2cc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)ccc21 ZINC000225107392 206037884 /nfs/dbraw/zinc/03/78/84/206037884.db2.gz XCKJAZQLEGWFFJ-NSHDSACASA-N 0 0 376.865 4.142 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C ZINC000225132236 206038460 /nfs/dbraw/zinc/03/84/60/206038460.db2.gz CXENIQVTQUCCHO-VQTJNVASSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000225160523 206038661 /nfs/dbraw/zinc/03/86/61/206038661.db2.gz QSCBBWKVYSBCJM-FQEVSTJZSA-N 0 0 383.488 4.056 40 0 GIABRN CC(C)n1c2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc2sc1=O ZINC000225154393 206038684 /nfs/dbraw/zinc/03/86/84/206038684.db2.gz QQFGXSCKRZQZQX-UHFFFAOYSA-N 0 0 396.921 4.239 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 ZINC000225162424 206038713 /nfs/dbraw/zinc/03/87/13/206038713.db2.gz QTMMAQSFAVDJHZ-OAQYLSRUSA-N 0 0 384.495 4.010 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 ZINC000225132437 206039070 /nfs/dbraw/zinc/03/90/70/206039070.db2.gz XXYYBVSCOSHECX-UXHICEINSA-N 0 0 380.532 4.178 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c(C)c1C ZINC000225136753 206039809 /nfs/dbraw/zinc/03/98/09/206039809.db2.gz IPFQKXYWCZYNFV-QGZVFWFLSA-N 0 0 389.517 4.201 40 0 GIABRN CCCc1ccc(OCCNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 ZINC000225194063 206040186 /nfs/dbraw/zinc/04/01/86/206040186.db2.gz ZFIMVJRPPYKLIC-GOSISDBHSA-N 0 0 381.516 4.480 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225184808 206040400 /nfs/dbraw/zinc/04/04/00/206040400.db2.gz XMIWRXRRACGNKF-HSZRJFAPSA-N 0 0 394.559 4.488 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1cc(C)ccc1C ZINC000225193986 206040502 /nfs/dbraw/zinc/04/05/02/206040502.db2.gz UGZKFMCAIQDYQU-LJQANCHMSA-N 0 0 398.522 4.319 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225193889 206040721 /nfs/dbraw/zinc/04/07/21/206040721.db2.gz KHEMROMKJILOBT-HSZRJFAPSA-N 0 0 394.559 4.488 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 ZINC000225193068 206040747 /nfs/dbraw/zinc/04/07/47/206040747.db2.gz DTVQJVLVOOOAAR-NRFANRHFSA-N 0 0 384.495 4.010 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000225201445 206040807 /nfs/dbraw/zinc/04/08/07/206040807.db2.gz SBRCWMFUZALGNO-GOSISDBHSA-N 0 0 380.532 4.080 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C ZINC000225188143 206040966 /nfs/dbraw/zinc/04/09/66/206040966.db2.gz OFOAOLSXAYIFKD-QHCPKHFHSA-N 0 0 394.559 4.488 40 0 GIABRN O=C(N1CCS/C1=C\c1csc(NCc2ccccc2)n1)C(F)(F)F ZINC000225257255 206041326 /nfs/dbraw/zinc/04/13/26/206041326.db2.gz RDZIHYGSVVRLEQ-MDWZMJQESA-N 0 0 385.436 4.191 40 0 GIABRN COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000225243704 206042087 /nfs/dbraw/zinc/04/20/87/206042087.db2.gz ZESHEKNNVOLVPA-KRWDZBQOSA-N 0 0 397.924 4.423 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C ZINC000225246800 206042094 /nfs/dbraw/zinc/04/20/94/206042094.db2.gz JBGUTBJWVPOJEA-QZTJIDSGSA-N 0 0 384.495 4.009 40 0 GIABRN CC[C@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000225223013 206042400 /nfs/dbraw/zinc/04/24/00/206042400.db2.gz XCFUYYPMPWBPEF-FQEVSTJZSA-N 0 0 385.529 4.169 40 0 GIABRN CCc1cc(S(=O)(=O)N[C@H](CC)c2ccc(OC)c(C)c2)ccc1OC ZINC000225338437 206043760 /nfs/dbraw/zinc/04/37/60/206043760.db2.gz WBLXNGZOKFVHAZ-GOSISDBHSA-N 0 0 377.506 4.004 40 0 GIABRN O=C(N[C@H]1CC2(CCCCC2)Oc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000225398436 206045683 /nfs/dbraw/zinc/04/56/83/206045683.db2.gz MRPYJVDSEQHVKS-SFHVURJKSA-N 0 0 379.456 4.414 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000225441945 206046624 /nfs/dbraw/zinc/04/66/24/206046624.db2.gz MLMRIGYYZFZCTF-LEWJYISDSA-N 0 0 394.559 4.302 40 0 GIABRN COc1ccc2c(c1)[C@@H](NC(=O)C1(c3ccccc3)CCOCC1)CC(C)(C)O2 ZINC000225428947 206048005 /nfs/dbraw/zinc/04/80/05/206048005.db2.gz XTTIAJMIXUMPKJ-FQEVSTJZSA-N 0 0 395.499 4.162 40 0 GIABRN CCOc1cccc(CNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 ZINC000225440845 206048049 /nfs/dbraw/zinc/04/80/49/206048049.db2.gz ZHBCVJFXJVXGJE-UHFFFAOYSA-N 0 0 397.544 4.198 40 0 GIABRN Cc1nccn1-c1ccc(CNC(=S)Nc2cccc(OC(C)C)c2)cc1 ZINC000225458410 206048907 /nfs/dbraw/zinc/04/89/07/206048907.db2.gz NIXGXAQGHAAGAK-UHFFFAOYSA-N 0 0 380.517 4.455 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)COc3ccccc3C(C)C)s2)cc1 ZINC000225465244 206049376 /nfs/dbraw/zinc/04/93/76/206049376.db2.gz PXYLSQYFFFSNGE-UHFFFAOYSA-N 0 0 383.473 4.355 40 0 GIABRN CC[C@@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccc(OC)c(C)c1 ZINC000225460463 206049473 /nfs/dbraw/zinc/04/94/73/206049473.db2.gz GCSJIZJFGUIZQH-QGZVFWFLSA-N 0 0 385.888 4.367 40 0 GIABRN Cc1ccc(SCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225453696 206049715 /nfs/dbraw/zinc/04/97/15/206049715.db2.gz RBIJCCSCAAOOHE-SFHVURJKSA-N 0 0 384.545 4.029 40 0 GIABRN CCOc1ccc(-c2noc(CN(C)C(=S)Nc3ccc(C)cc3)n2)cc1 ZINC000225456517 206049916 /nfs/dbraw/zinc/04/99/16/206049916.db2.gz COEQDELKJLRVTA-UHFFFAOYSA-N 0 0 382.489 4.273 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000225461143 206050398 /nfs/dbraw/zinc/05/03/98/206050398.db2.gz AVYIGGLKZIEGBR-SIKLNZKXSA-N 0 0 380.532 4.341 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1 ZINC000225493531 206050807 /nfs/dbraw/zinc/05/08/07/206050807.db2.gz GXZFJFNLCYBCFW-UGKGYDQZSA-N 0 0 380.532 4.260 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1F ZINC000225492648 206051667 /nfs/dbraw/zinc/05/16/67/206051667.db2.gz MQKCOHDVDBAQLW-UWJYYQICSA-N 0 0 384.495 4.090 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1 ZINC000225492759 206051928 /nfs/dbraw/zinc/05/19/28/206051928.db2.gz YROUDXQTOGSBGY-KNQAVFIVSA-N 0 0 396.531 4.096 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1F ZINC000225492554 206051972 /nfs/dbraw/zinc/05/19/72/206051972.db2.gz MQKCOHDVDBAQLW-DYESRHJHSA-N 0 0 384.495 4.090 40 0 GIABRN CC[C@@H](NC(=S)Nc1cc(C)ccc1C)c1ccc(S(C)(=O)=O)cc1 ZINC000225722087 206068905 /nfs/dbraw/zinc/06/89/05/206068905.db2.gz LISRTZDEBHLYFF-QGZVFWFLSA-N 0 0 376.547 4.145 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1 ZINC000225712500 206069629 /nfs/dbraw/zinc/06/96/29/206069629.db2.gz FNLVQFQDJSYYCA-JOCHJYFZSA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000225715890 206069888 /nfs/dbraw/zinc/06/98/88/206069888.db2.gz RFOAWQLQPUJHBG-JOCHJYFZSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CSc1ccccc1 ZINC000225720171 206069961 /nfs/dbraw/zinc/06/99/61/206069961.db2.gz VRNBJROHFSFWBX-NRFANRHFSA-N 0 0 398.572 4.419 40 0 GIABRN O=C(Cn1ccc(=O)c2ccc(Cl)cc21)NCc1ccc(Cl)cc1Cl ZINC000225732698 206070469 /nfs/dbraw/zinc/07/04/69/206070469.db2.gz CCKDPJKVCFVHEH-UHFFFAOYSA-N 0 0 395.673 4.278 40 0 GIABRN CCOc1ccc(-c2noc(CNC(=O)CCc3ccc(C)c(C)c3)n2)cc1 ZINC000225732191 206070947 /nfs/dbraw/zinc/07/09/47/206070947.db2.gz YLNWEQDNRWFGLH-UHFFFAOYSA-N 0 0 379.460 4.001 40 0 GIABRN Cc1cc(C)cc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)c1 ZINC000225727482 206071565 /nfs/dbraw/zinc/07/15/65/206071565.db2.gz TXVIPXWNEPHXAV-UHFFFAOYSA-N 0 0 385.261 4.020 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225528750 206054906 /nfs/dbraw/zinc/05/49/06/206054906.db2.gz IGEYWKFRMKCYBK-FQEVSTJZSA-N 0 0 380.532 4.096 40 0 GIABRN Cc1ccc(-c2nnc(NC(=O)c3ccc(Cn4ccnc4)cc3)s2)cc1 ZINC000225566571 206056281 /nfs/dbraw/zinc/05/62/81/206056281.db2.gz PYNXHTGNUBBWRZ-UHFFFAOYSA-N 0 0 375.457 4.011 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)NCCCc2cccc(OC)c2)c1C ZINC000225554176 206057258 /nfs/dbraw/zinc/05/72/58/206057258.db2.gz AKCBNSFAMLBBNW-UHFFFAOYSA-N 0 0 386.517 4.100 40 0 GIABRN COC(=O)c1cccc(NC(=S)NCCCc2cccc(OC(C)C)c2)c1 ZINC000225565790 206057384 /nfs/dbraw/zinc/05/73/84/206057384.db2.gz SOUYQRXRBFJZRQ-UHFFFAOYSA-N 0 0 386.517 4.180 40 0 GIABRN COc1cc2c(cc1S(=O)(=O)NCCCc1ccccc1Cl)CCCC2 ZINC000225553320 206057781 /nfs/dbraw/zinc/05/77/81/206057781.db2.gz QALUIRDRLTUABR-UHFFFAOYSA-N 0 0 393.936 4.139 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)c1 ZINC000225574198 206058458 /nfs/dbraw/zinc/05/84/58/206058458.db2.gz WNKQNRTVUANXOO-QGZVFWFLSA-N 0 0 386.923 4.133 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 ZINC000225584833 206058464 /nfs/dbraw/zinc/05/84/64/206058464.db2.gz AIFWCVUYYAFFIS-XMSQKQJNSA-N 0 0 398.522 4.399 40 0 GIABRN COc1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225576648 206058685 /nfs/dbraw/zinc/05/86/85/206058685.db2.gz PNAGKKWOKRSXTG-UHFFFAOYSA-N 0 0 390.886 4.016 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)N[C@H](C)COc2ccc(C)cc2)c1C ZINC000225642322 206062259 /nfs/dbraw/zinc/06/22/59/206062259.db2.gz QZLYEDVZIVPHCX-OAHLLOKOSA-N 0 0 386.517 4.234 40 0 GIABRN CC[C@H](CNC(=S)Nc1cccc(N2CCCC2=O)c1)Cc1ccccc1 ZINC000225633507 206062377 /nfs/dbraw/zinc/06/23/77/206062377.db2.gz HLYDYJBJBKOQTM-KRWDZBQOSA-N 0 0 381.545 4.369 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000225644905 206062521 /nfs/dbraw/zinc/06/25/21/206062521.db2.gz CCSLPHGYWRQOPE-PGRDOPGGSA-N 0 0 398.522 4.480 40 0 GIABRN CC[C@@H](CNC(=S)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1 ZINC000225632649 206062717 /nfs/dbraw/zinc/06/27/17/206062717.db2.gz XKHVCNBYZZXJMJ-QGZVFWFLSA-N 0 0 381.545 4.369 40 0 GIABRN CCCOc1ccccc1CCCNC(=S)Nc1ccc(C(=O)N(C)C)cc1 ZINC000225626471 206062745 /nfs/dbraw/zinc/06/27/45/206062745.db2.gz MNIKNSBEMUQSEQ-UHFFFAOYSA-N 0 0 399.560 4.096 40 0 GIABRN COc1ccc(CCCNC(=S)Nc2ccc(OC(C)C)cc2)cc1OC ZINC000225628281 206062979 /nfs/dbraw/zinc/06/29/79/206062979.db2.gz AZEMYXLLMCNQRU-UHFFFAOYSA-N 0 0 388.533 4.410 40 0 GIABRN Cc1ccc(NC(=S)NCc2ccc(CN3CCCC3=O)cc2)cc1Cl ZINC000225648696 206063862 /nfs/dbraw/zinc/06/38/62/206063862.db2.gz CYECHGZMMFTOGO-UHFFFAOYSA-N 0 0 387.936 4.257 40 0 GIABRN Cc1cccc(N2CCN(C(=O)[C@@H](C)Oc3ccc4c(c3)CCCC4)CC2)c1C ZINC000225661761 206063964 /nfs/dbraw/zinc/06/39/64/206063964.db2.gz HHBZAWKEEDKZNN-HXUWFJFHSA-N 0 0 392.543 4.298 40 0 GIABRN CC(C)Oc1ccc(NC(=S)NCc2ccccc2CN2CCCC2=O)cc1 ZINC000225652812 206064412 /nfs/dbraw/zinc/06/44/12/206064412.db2.gz RVSDOYHGILCEQR-UHFFFAOYSA-N 0 0 397.544 4.083 40 0 GIABRN CC[C@@H](Oc1ccccc1OC)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000225669531 206065230 /nfs/dbraw/zinc/06/52/30/206065230.db2.gz QSCVEIHEVOATCW-OAHLLOKOSA-N 0 0 399.472 4.018 40 0 GIABRN CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)cc1 ZINC000225691579 206067429 /nfs/dbraw/zinc/06/74/29/206067429.db2.gz UIBNMFYKJUWODP-UHFFFAOYSA-N 0 0 390.530 4.226 40 0 GIABRN COc1cccc(-c2nnsc2C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000225766326 206074272 /nfs/dbraw/zinc/07/42/72/206074272.db2.gz CEBKEWZLYIOXBE-UHFFFAOYSA-N 0 0 379.363 4.485 40 0 GIABRN COc1ccc(-c2nnsc2C(=O)Nc2ccccc2Br)cc1 ZINC000225762044 206074880 /nfs/dbraw/zinc/07/48/80/206074880.db2.gz KFVYYVXMNBUNOH-UHFFFAOYSA-N 0 0 390.262 4.229 40 0 GIABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000225786613 206075167 /nfs/dbraw/zinc/07/51/67/206075167.db2.gz HKVAIRWJNHMCQL-AWEZNQCLSA-N 0 0 379.485 4.490 40 0 GIABRN CCCCOc1ccc(NC(=O)C(C)(C)Br)cc1C(=O)OCC ZINC000225786454 206075961 /nfs/dbraw/zinc/07/59/61/206075961.db2.gz VWLCBZVQQYMAME-UHFFFAOYSA-N 0 0 386.286 4.154 40 0 GIABRN C[C@@H](COc1ccccc1)NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000225784293 206076433 /nfs/dbraw/zinc/07/64/33/206076433.db2.gz PEOPJHMSTDQTJC-KRWDZBQOSA-N 0 0 397.544 4.067 40 0 GIABRN COc1ccc([C@H](C)NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000225807331 206076785 /nfs/dbraw/zinc/07/67/85/206076785.db2.gz YVLLHQFOQLPNQI-ZDUSSCGKSA-N 0 0 385.851 4.209 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)ccc1OCC(C)C ZINC000225808353 206077273 /nfs/dbraw/zinc/07/72/73/206077273.db2.gz AHAKQVSPKQIDGJ-OPAMFIHVSA-N 0 0 391.508 4.432 40 0 GIABRN CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 ZINC000225801819 206077691 /nfs/dbraw/zinc/07/76/91/206077691.db2.gz HTHJLPGZMDHPCU-NRFANRHFSA-N 0 0 379.497 4.432 40 0 GIABRN COC(=O)c1cc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)ccc1OCC(C)C ZINC000225807674 206077745 /nfs/dbraw/zinc/07/77/45/206077745.db2.gz GXSMBPXWKGCPMQ-BTYIYWSLSA-N 0 0 377.481 4.042 40 0 GIABRN CCOc1ccc(CNC(=O)COc2cccc(C(F)(F)F)c2)cc1OCC ZINC000225813087 206078856 /nfs/dbraw/zinc/07/88/56/206078856.db2.gz ULUDOIXIVXCQOG-UHFFFAOYSA-N 0 0 397.393 4.198 40 0 GIABRN COc1ccc(-c2noc(CNC(=S)Nc3cccc(OC(C)C)c3)n2)cc1 ZINC000225824444 206078897 /nfs/dbraw/zinc/07/88/97/206078897.db2.gz RSCVSFOKNHRGEQ-UHFFFAOYSA-N 0 0 398.488 4.019 40 0 GIABRN O=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1cccc(F)c1 ZINC000225818731 206079729 /nfs/dbraw/zinc/07/97/29/206079729.db2.gz PHTWIGQNWXCLCG-UHFFFAOYSA-N 0 0 390.212 4.210 40 0 GIABRN CCCOc1ccc(NC(=O)C2(OCC)CCCCCC2)cc1C(=O)OC ZINC000225830444 206080344 /nfs/dbraw/zinc/08/03/44/206080344.db2.gz USPDRTXWXSIPQE-UHFFFAOYSA-N 0 0 377.481 4.330 40 0 GIABRN CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 ZINC000225842112 206080892 /nfs/dbraw/zinc/08/08/92/206080892.db2.gz PMRFGSPNQYKRQO-OAQYLSRUSA-N 0 0 379.497 4.432 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@@](C)(OCC)C2CC2)ccc1O[C@H](C)CC ZINC000225836093 206081733 /nfs/dbraw/zinc/08/17/33/206081733.db2.gz PUBQDOZUQUARQV-SZNDQCEHSA-N 0 0 377.481 4.184 40 0 GIABRN Fc1ccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)c(F)c1 ZINC000225833129 206081760 /nfs/dbraw/zinc/08/17/60/206081760.db2.gz ATVGHQNFXMDXNO-UHFFFAOYSA-N 0 0 380.807 4.155 40 0 GIABRN Cc1ccc(NC(=S)NC2(c3cccnc3)CCCC2)cc1N1CCCC1=O ZINC000225870099 206082095 /nfs/dbraw/zinc/08/20/95/206082095.db2.gz PLLDVNZBIYCPNV-UHFFFAOYSA-N 0 0 394.544 4.273 40 0 GIABRN CCCO[C@@](C)(C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1)C1CC1 ZINC000225857650 206082194 /nfs/dbraw/zinc/08/21/94/206082194.db2.gz NWOSRUWLBNZJFL-LHSJRXKWSA-N 0 0 377.481 4.184 40 0 GIABRN CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cn1 ZINC000225877053 206082384 /nfs/dbraw/zinc/08/23/84/206082384.db2.gz ZFMULHLLIYVUSU-UHFFFAOYSA-N 0 0 395.286 4.474 40 0 GIABRN COC(=O)c1cc(NC(=S)NC2(c3ccccn3)CCCC2)ccc1Cl ZINC000225861458 206082766 /nfs/dbraw/zinc/08/27/66/206082766.db2.gz DPPMZBVYAWLLGS-UHFFFAOYSA-N 0 0 389.908 4.278 40 0 GIABRN CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2C)cc1NC(C)=O ZINC000225882632 206082815 /nfs/dbraw/zinc/08/28/15/206082815.db2.gz PBIIXJSVHKLGJK-AWEZNQCLSA-N 0 0 392.546 4.023 40 0 GIABRN Cc1nc2cc(C(=O)N3c4ccc(Br)cc4C[C@H]3C)ccc2n1C ZINC000225892677 206084497 /nfs/dbraw/zinc/08/44/97/206084497.db2.gz ZTUFQXDCRKSOTN-LLVKDONJSA-N 0 0 384.277 4.236 40 0 GIABRN CC(C)(NC(=O)OCc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000225924997 206085060 /nfs/dbraw/zinc/08/50/60/206085060.db2.gz JMWOALHZZLAACZ-UHFFFAOYSA-N 0 0 396.365 4.229 40 0 GIABRN COCCOc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cn1 ZINC000225934694 206085426 /nfs/dbraw/zinc/08/54/26/206085426.db2.gz CYACHGBFUHTECU-UHFFFAOYSA-N 0 0 376.456 4.052 40 0 GIABRN COc1cc(Oc2ccccc2)nc(NC(=S)NCc2ccc(C)cc2)n1 ZINC000225942688 206085616 /nfs/dbraw/zinc/08/56/16/206085616.db2.gz RUAZKBDKUXYZMP-UHFFFAOYSA-N 0 0 380.473 4.073 40 0 GIABRN Cc1cc(N2Cc3ccccc3C2)nc(NC(=S)N[C@H](C)c2ccccc2)n1 ZINC000225963109 206085877 /nfs/dbraw/zinc/08/58/77/206085877.db2.gz ZUZLUBPPVDQZAF-MRXNPFEDSA-N 0 0 389.528 4.353 40 0 GIABRN O=C(Nc1ccccc1Br)c1cc2cccc(Cl)c2oc1=O ZINC000226039472 206086901 /nfs/dbraw/zinc/08/69/01/206086901.db2.gz KHRYPNLQKKLYJF-UHFFFAOYSA-N 0 0 378.609 4.461 40 0 GIABRN C[C@@H]1CCCCN1c1cc(Oc2ccccc2)nc(NC(=S)NC2CC2)n1 ZINC000226003830 206087614 /nfs/dbraw/zinc/08/76/14/206087614.db2.gz LBOSOQJTVDLLKC-CQSZACIVSA-N 0 0 383.521 4.097 40 0 GIABRN COc1ccc(F)cc1-c1cccc(CC2(C(=O)NC3CC3)CCOCC2)c1 ZINC000257198064 206158248 /nfs/dbraw/zinc/15/82/48/206158248.db2.gz RLKNVISFTGKRQU-UHFFFAOYSA-N 0 0 383.463 4.119 40 0 GIABRN Cc1ncc(CN2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)cn1 ZINC000257211029 206160240 /nfs/dbraw/zinc/16/02/40/206160240.db2.gz BXFUSSYYRIFIOX-PZJWPPBQSA-N 0 0 399.922 4.333 40 0 GIABRN COc1ccccc1Cc1cnc([C@@H]2CCCN2C(=O)c2ccccc2F)o1 ZINC000257217912 206160421 /nfs/dbraw/zinc/16/04/21/206160421.db2.gz DBCDOPGARSZPIA-IBGZPJMESA-N 0 0 380.419 4.390 40 0 GIABRN CCCCc1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4)o3)C2)[nH]n1 ZINC000257219046 206160777 /nfs/dbraw/zinc/16/07/77/206160777.db2.gz DFKWBAZTXBBGHU-SFHVURJKSA-N 0 0 392.503 4.351 40 0 GIABRN CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)c3ccc(C)cc3)CCO2)n1 ZINC000257221825 206160787 /nfs/dbraw/zinc/16/07/87/206160787.db2.gz DQRHSHPSGFGUTM-OAQYLSRUSA-N 0 0 391.471 4.130 40 0 GIABRN CC(C)C(=O)N1[C@H](c2cccc(C(F)(F)F)c2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257221743 206161231 /nfs/dbraw/zinc/16/12/31/206161231.db2.gz DQIMCNWEJCCMPL-ZWOKBUDYSA-N 0 0 396.453 4.452 40 0 GIABRN O=C(NC1CCC(NC(=O)OC[C@@H]2CC=CCC2)CC1)OC[C@@H]1CC=CCC1 ZINC000255187053 206151197 /nfs/dbraw/zinc/15/11/97/206151197.db2.gz BAKATBMUFWLOAO-UVHRUJRTSA-N 0 0 390.524 4.463 40 0 GIABRN Cn1ccnc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257278705 206171241 /nfs/dbraw/zinc/17/12/41/206171241.db2.gz ODHRQDZUFFOWSX-QGZVFWFLSA-N 0 0 384.867 4.020 40 0 GIABRN Cc1ccnc(Nc2cccc([C@@H]3CN(C(=O)C4CCCCC4)CCO3)n2)c1 ZINC000257288412 206173260 /nfs/dbraw/zinc/17/32/60/206173260.db2.gz PUBUPXAVHXHINJ-IBGZPJMESA-N 0 0 380.492 4.009 40 0 GIABRN O=C(c1ccccc1)N1CCO[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000257287083 206173299 /nfs/dbraw/zinc/17/32/99/206173299.db2.gz POLGRNQIZTUCSG-QFIPXVFZSA-N 0 0 376.431 4.025 40 0 GIABRN Cc1noc(C)c1-c1cnc(CC[C@H]2CCCN2C(=O)c2cccc(F)c2)cn1 ZINC000257297268 206174623 /nfs/dbraw/zinc/17/46/23/206174623.db2.gz RGNVTSZXLVLWKB-LJQANCHMSA-N 0 0 394.450 4.125 40 0 GIABRN Cc1noc(C)c1-c1cncc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1 ZINC000257294957 206174627 /nfs/dbraw/zinc/17/46/27/206174627.db2.gz QWKLYVVUEGLFFA-FQEVSTJZSA-N 0 0 376.460 4.045 40 0 GIABRN CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)CC3CCCCC3)CCO2)n1 ZINC000257307853 206176681 /nfs/dbraw/zinc/17/66/81/206176681.db2.gz TUJWXHMGEKCHDW-OAQYLSRUSA-N 0 0 397.519 4.478 40 0 GIABRN COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2cccc(C)n2)o1 ZINC000257227840 206163164 /nfs/dbraw/zinc/16/31/64/206163164.db2.gz FREMOGHIAUXKDL-HXUWFJFHSA-N 0 0 391.471 4.345 40 0 GIABRN COC(C)(C)C(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257227163 206163567 /nfs/dbraw/zinc/16/35/67/206163567.db2.gz FNYVNIRUFBSZIA-QGZVFWFLSA-N 0 0 376.884 4.397 40 0 GIABRN O=C(c1n[nH]c2ccccc21)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257240739 206164446 /nfs/dbraw/zinc/16/44/46/206164446.db2.gz HUYHMCFHNDPZNF-QGZVFWFLSA-N 0 0 386.455 4.162 40 0 GIABRN CC(C)(C)CC(=O)N1CC[C@@H](c2ccnc3ncc(-c4ccc(F)cc4)n32)C1 ZINC000257250029 206166831 /nfs/dbraw/zinc/16/68/31/206166831.db2.gz JKSITMYUJTVVAZ-MRXNPFEDSA-N 0 0 380.467 4.288 40 0 GIABRN CC(C)(C)C(=O)N1CCC(Cc2cccc(-c3ccccc3)c2)(C(N)=O)CC1 ZINC000257244328 206167014 /nfs/dbraw/zinc/16/70/14/206167014.db2.gz IKUQDNFWIBCIMS-UHFFFAOYSA-N 0 0 378.516 4.036 40 0 GIABRN CC(C)(C)C(=O)N1CCC[C@H]1c1ccnc(N2CC3(CCCCC3)OC2=O)c1 ZINC000257260806 206168589 /nfs/dbraw/zinc/16/85/89/206168589.db2.gz LELLNLVKAJHBSP-KRWDZBQOSA-N 0 0 385.508 4.451 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)s1 ZINC000257333185 206181516 /nfs/dbraw/zinc/18/15/16/206181516.db2.gz YANXADBIOVCJKK-INIZCTEOSA-N 0 0 399.491 4.498 40 0 GIABRN O=C(COc1ccccc1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257343032 206181878 /nfs/dbraw/zinc/18/18/78/206181878.db2.gz ZRDVRAHASOSKAO-SFHVURJKSA-N 0 0 394.446 4.190 40 0 GIABRN Nc1c(Br)cc(NC(=O)c2ccco2)c(Cl)c1Br ZINC000020134722 206184421 /nfs/dbraw/zinc/18/44/21/206184421.db2.gz JFGYZGQYDCPDJW-UHFFFAOYSA-N 0 0 394.450 4.293 40 0 GIABRN O=C(c1cccnn1)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257328197 206179764 /nfs/dbraw/zinc/17/97/64/206179764.db2.gz XEPALMTVWVKWTH-SFHVURJKSA-N 0 0 382.851 4.076 40 0 GIABRN CC(C)(C)CC(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(N)=O)CC1 ZINC000257324646 206179988 /nfs/dbraw/zinc/17/99/88/206179988.db2.gz WPPBGBLUCCHCPP-UHFFFAOYSA-N 0 0 398.572 4.488 40 0 GIABRN O=C(CCc1ccccc1)N1CCO[C@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000257328892 206180256 /nfs/dbraw/zinc/18/02/56/206180256.db2.gz XHMRPWRRVGRYMV-DEOSSOPVSA-N 0 0 386.495 4.205 40 0 GIABRN Fc1ccc(-c2cnc3nccc([C@@H]4CCCN4Cc4cncs4)n23)cc1 ZINC000257334964 206181088 /nfs/dbraw/zinc/18/10/88/206181088.db2.gz YIAROEYGKBNDGC-KRWDZBQOSA-N 0 0 379.464 4.329 40 0 GIABRN COc1ncccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257341983 206181288 /nfs/dbraw/zinc/18/12/88/206181288.db2.gz ZMPQJOHQTKFREV-IBGZPJMESA-N 0 0 395.434 4.176 40 0 GIABRN Fc1ccc(CN2CCO[C@@H](c3nnn4cc(-c5cccs5)ccc34)C2)cc1 ZINC000306140571 206205415 /nfs/dbraw/zinc/20/54/15/206205415.db2.gz UXNQDODINLIVCF-LJQANCHMSA-N 0 0 394.475 4.170 40 0 GIABRN O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000306143939 206207188 /nfs/dbraw/zinc/20/71/88/206207188.db2.gz YRGKKANZQLVBBM-VQIMIIECSA-N 0 0 387.551 4.232 40 0 GIABRN Fc1cccc(-c2ccc3nc([C@H]4CCCN(Cc5nccs5)C4)nn3c2)c1 ZINC000306125644 206196439 /nfs/dbraw/zinc/19/64/39/206196439.db2.gz CWUKYZAUDKZRIX-KRWDZBQOSA-N 0 0 393.491 4.372 40 0 GIABRN CC(C)Cn1cnc2c1C1(CCN(C(=O)C3CC=CC3)CC1)Oc1ccccc1-2 ZINC000306137103 206203533 /nfs/dbraw/zinc/20/35/33/206203533.db2.gz QLNYKCCEWFJRKE-UHFFFAOYSA-N 0 0 391.515 4.382 40 0 GIABRN O=C(OCc1ccc(Cl)cc1)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 ZINC000096836818 206224276 /nfs/dbraw/zinc/22/42/76/206224276.db2.gz UKKBXVBEANEENW-OALUTQOASA-N 0 0 397.858 4.377 40 0 GIABRN O=C(NCc1ccc(Cl)cc1)c1c(F)cccc1NCC[NH+]1CCCCC1 ZINC000066089365 206225878 /nfs/dbraw/zinc/22/58/78/206225878.db2.gz YOOKYPLWKCGGNI-UHFFFAOYSA-N 0 0 389.902 4.307 40 0 GIABRN C[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N21 ZINC000002801609 206212884 /nfs/dbraw/zinc/21/28/84/206212884.db2.gz LOXDNFDQUOVHBE-PIGZYNQJSA-N 0 0 381.888 4.441 40 0 GIABRN Cc1ccc(C(=O)Oc2ccc(CCN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000004367888 206214173 /nfs/dbraw/zinc/21/41/73/206214173.db2.gz SNJMDGOLFATTGF-UHFFFAOYSA-N 0 0 385.419 4.053 40 0 GIABRN COc1ccc(S(=O)(=O)NCCSCc2cccc(C)c2)cc1C(C)C ZINC000408679763 533059348 /nfs/dbraw/zinc/05/93/48/533059348.db2.gz KYDUFIRLOBYNNO-UHFFFAOYSA-N 0 0 393.574 4.339 40 0 GIABRN CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2Cl)c1 ZINC000001343651 220487286 /nfs/dbraw/zinc/48/72/86/220487286.db2.gz HYBJQQKRUSSXCX-GOSISDBHSA-N 0 0 385.851 4.178 40 0 GIABRN CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000005027430 220814307 /nfs/dbraw/zinc/81/43/07/220814307.db2.gz SCSOPZVYKPZNAJ-YVLHZVERSA-N 0 0 388.876 4.456 40 0 GIABRN CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCC(=O)c3ccc(F)cc3F)nnc12 ZINC000005060056 220821947 /nfs/dbraw/zinc/82/19/47/220821947.db2.gz JPHCLDPFNGAHHU-BLVKFPJESA-N 0 0 375.444 4.300 40 0 GIABRN O=c1oc2ccccc2n1[C@H]1CCCN(Cc2ccc(Br)s2)C1 ZINC000012119219 221153468 /nfs/dbraw/zinc/15/34/68/221153468.db2.gz NYEHTWRMLIFJCX-LBPRGKRZSA-N 0 0 393.306 4.256 40 0 GIABRN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 ZINC000408623976 533319490 /nfs/dbraw/zinc/31/94/90/533319490.db2.gz ABXILWCOLQIFTP-HNNXBMFYSA-N 0 0 383.517 4.201 40 0 GIABRN COc1cccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)c1 ZINC000408628385 533404825 /nfs/dbraw/zinc/40/48/25/533404825.db2.gz SEOOLVCTBIIDSP-UHFFFAOYSA-N 0 0 399.697 4.238 40 0 GIABRN COc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1Cl ZINC000409246433 533422374 /nfs/dbraw/zinc/42/23/74/533422374.db2.gz IHYZULIQUUMMEC-OQLLNIDSSA-N 0 0 377.227 4.095 40 0 GIABRN COc1cc(Br)c(-c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1OC ZINC000408735776 533485672 /nfs/dbraw/zinc/48/56/72/533485672.db2.gz XKTOPCRWYJOSPY-UHFFFAOYSA-N 0 0 395.278 4.460 40 0 GIABRN COc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3)n2)c1 ZINC000408699053 533616872 /nfs/dbraw/zinc/61/68/72/533616872.db2.gz RECUCWVCAOMYPW-UHFFFAOYSA-N 0 0 388.402 4.334 40 0 GIABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(N3CCOCC3)cc2)cc1 ZINC000044900796 132420454 /nfs/dbraw/zinc/42/04/54/132420454.db2.gz DLFJHJSBULRBPI-JOCHJYFZSA-N 0 0 382.504 4.049 40 0 GIABRN CCCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccco1 ZINC000001364333 136193192 /nfs/dbraw/zinc/19/31/92/136193192.db2.gz NRADWCGVGGDBMR-UHFFFAOYSA-N 0 0 382.489 4.020 40 0 GIABRN CCCC(=O)N1c2ccccc2[C@@H](N(c2ccccc2)S(C)(=O)=O)C[C@@H]1C ZINC000010153301 136197358 /nfs/dbraw/zinc/19/73/58/136197358.db2.gz MMUMPUHFERDLDN-JXFKEZNVSA-N 0 0 386.517 4.119 40 0 GIABRN COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccc(C)cc2)o1 ZINC000408638902 533831205 /nfs/dbraw/zinc/83/12/05/533831205.db2.gz UXEKFKAAJFASTM-UHFFFAOYSA-N 0 0 389.864 4.438 40 0 GIABRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(C)c(OC)c2)S1 ZINC000408812364 533882435 /nfs/dbraw/zinc/88/24/35/533882435.db2.gz SJKAAONMFHBPSR-UHFFFAOYSA-N 0 0 389.884 4.429 40 0 GIABRN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Br)cc1F ZINC000408602671 533885296 /nfs/dbraw/zinc/88/52/96/533885296.db2.gz AKFUADLTLFAPGW-UHFFFAOYSA-N 0 0 394.649 4.051 40 0 GIABRN Cc1ccc(NC(=O)CNC(=O)c2ccc(COc3ccc(Cl)cc3)o2)cc1 ZINC000408559660 534174882 /nfs/dbraw/zinc/17/48/82/534174882.db2.gz ASMKROPAXPTBHF-UHFFFAOYSA-N 0 0 398.846 4.189 40 0 GIABRN Cc1ccc(-c2nnc(CN(C)C(=O)c3cccc(Br)c3)o2)cc1 ZINC000408714030 534222457 /nfs/dbraw/zinc/22/24/57/534222457.db2.gz GXEWCHKPDVGDRO-UHFFFAOYSA-N 0 0 386.249 4.080 40 0 GIABRN Cc1ccsc1/C=C1/SC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O ZINC000409324890 534456153 /nfs/dbraw/zinc/45/61/53/534456153.db2.gz VZPBYQRWTIKRIS-CXUHLZMHSA-N 0 0 386.498 4.348 40 0 GIABRN O=C(Oc1ccc2cc(C(=O)Oc3ccccc3)c(=O)oc2c1)c1ccccc1 ZINC000408719828 534568522 /nfs/dbraw/zinc/56/85/22/534568522.db2.gz GDFHHEQGMQMBOT-UHFFFAOYSA-N 0 0 386.359 4.231 40 0 GIABRN CCc1cccc2cc([C@H]3n4c5ccccc5nc4[C@@H]4CCCN3C4)c(=O)[nH]c21 ZINC000072389370 521801960 /nfs/dbraw/zinc/80/19/60/521801960.db2.gz SOQNXZHHPATRIV-MZNJEOGPSA-N 0 0 384.483 4.180 40 0 GIABRN O=C1Nc2ccccc2/C1=C1/SC(=O)N(Cc2c(F)cccc2Cl)C1=O ZINC000409322670 534802180 /nfs/dbraw/zinc/80/21/80/534802180.db2.gz KJTGCWQZEZHPEU-PFONDFGASA-N 0 0 388.807 4.038 40 0 GIABRN CC(=O)Nc1ccc(OCC(=O)Nc2c(C)cc(Br)cc2C)cc1 ZINC000409124577 527018275 /nfs/dbraw/zinc/01/82/75/527018275.db2.gz IHFHQYNVKQDIKG-UHFFFAOYSA-N 0 0 391.265 4.042 40 0 GIABRN CC(=O)O[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118926627 527118065 /nfs/dbraw/zinc/11/80/65/527118065.db2.gz FXIBWMJBQIDNKR-SIKLISJLSA-N 0 0 390.520 4.072 40 0 GIABRN O=S(=O)(Nc1cc(C(F)(F)F)ccc1F)c1ccccc1Br ZINC000067946112 527245558 /nfs/dbraw/zinc/24/55/58/527245558.db2.gz JFAKVOMZNLHRSA-UHFFFAOYSA-N 0 0 398.175 4.408 40 0 GIABRN CC(=O)c1ccc(N2C(=O)c3cccc4c(N5CCCC5)ccc(c43)C2=O)cc1 ZINC000408535555 527288058 /nfs/dbraw/zinc/28/80/58/527288058.db2.gz TXVPGUKGBQCTPX-UHFFFAOYSA-N 0 0 384.435 4.443 40 0 GIABRN CC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 ZINC000408707618 527631933 /nfs/dbraw/zinc/63/19/33/527631933.db2.gz KZHUBNUKGUPLKR-HPUBIQBYSA-N 0 0 376.928 4.414 40 0 GIABRN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(C(=O)Nc3ccc(F)cc3)c1)C2=O ZINC000408721093 527895314 /nfs/dbraw/zinc/89/53/14/527895314.db2.gz CSNFYRNQDVBONH-FDDCHVKYSA-N 0 0 394.446 4.394 40 0 GIABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000408562496 528047174 /nfs/dbraw/zinc/04/71/74/528047174.db2.gz QFGNSULEGMRXHV-UHFFFAOYSA-N 0 0 395.912 4.323 40 0 GIABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000408591956 528047263 /nfs/dbraw/zinc/04/72/63/528047263.db2.gz MPKPDWIEZPAQIO-UHFFFAOYSA-N 0 0 399.875 4.154 40 0 GIABRN CC(C)COC(=O)c1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1 ZINC000408732354 528077401 /nfs/dbraw/zinc/07/74/01/528077401.db2.gz UZHAZSZCNMSUDM-WQRHYEAKSA-N 0 0 383.831 4.497 40 0 GIABRN CCCCC(=O)NC(=S)Nc1ccc(NC(=O)c2cccs2)c(OC)c1 ZINC000408628390 528089088 /nfs/dbraw/zinc/08/90/88/528089088.db2.gz SGLBWORVHNTVLE-UHFFFAOYSA-N 0 0 391.518 4.012 40 0 GIABRN CCCCC(=O)Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000020528683 528092232 /nfs/dbraw/zinc/09/22/32/528092232.db2.gz OZTYWJWHTOBMBZ-XNTDXEJSSA-N 0 0 391.515 4.177 40 0 GIABRN CCCCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)CSCc2ccccc2)N1 ZINC000409358420 528113287 /nfs/dbraw/zinc/11/32/87/528113287.db2.gz SXHILIASSJLZQP-QGZVFWFLSA-N 0 0 388.455 4.339 40 0 GIABRN CCCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)COc2ccc(C)c(C)c2)N1 ZINC000408956306 528113352 /nfs/dbraw/zinc/11/33/52/528113352.db2.gz QNDXZNGQGIBIFN-SFHVURJKSA-N 0 0 386.414 4.102 40 0 GIABRN CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(Cl)c3)C(=O)[C@@H]2C1 ZINC000408681948 528123375 /nfs/dbraw/zinc/12/33/75/528123375.db2.gz JVZRRHYUVAIPJM-SJLPKXTDSA-N 0 0 394.858 4.438 40 0 GIABRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)N[C@H](C)c3ccccc3)C(=O)[C@H]2C1 ZINC000408680355 528123542 /nfs/dbraw/zinc/12/35/42/528123542.db2.gz HQPZKVTWXIPYIH-KPFFTGBYSA-N 0 0 388.467 4.023 40 0 GIABRN CCCN1C(=O)N/C(=C/c2cc(Cl)c(O[C@@H](C)CC)c(OCC)c2)C1=O ZINC000409243429 528175035 /nfs/dbraw/zinc/17/50/35/528175035.db2.gz WIUFBKDHSGQLGB-XBUHWIKASA-N 0 0 380.872 4.219 40 0 GIABRN CCCCCNC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000409340937 528191376 /nfs/dbraw/zinc/19/13/76/528191376.db2.gz BLWSQBSXZPYPHN-UHFFFAOYSA-N 0 0 388.533 4.035 40 0 GIABRN CCOc1cc2c(cc1/C=C1/SC(=O)N(Cc3cccc(C)c3)C1=O)OCO2 ZINC000409099931 528337647 /nfs/dbraw/zinc/33/76/47/528337647.db2.gz RVONVBQUDGQNNT-DJKKODMXSA-N 0 0 397.452 4.359 40 0 GIABRN CCOc1ccc(N2C[C@@H](C(=O)NC3CCC(C(C)(C)C)CC3)CC2=O)cc1 ZINC000408709335 528483803 /nfs/dbraw/zinc/48/38/03/528483803.db2.gz ZUGQFGPHMUSZTA-AOCRQIFASA-N 0 0 386.536 4.159 40 0 GIABRN CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2CC)cc1NC(=O)CC ZINC000408696895 528587500 /nfs/dbraw/zinc/58/75/00/528587500.db2.gz FVTMWVMHCSLSBW-UHFFFAOYSA-N 0 0 390.505 4.105 40 0 GIABRN CCCCSC1=N[C@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N1 ZINC000408988397 528729859 /nfs/dbraw/zinc/72/98/59/528729859.db2.gz HVNJQULMDYMDPN-GOSISDBHSA-N 0 0 392.521 4.075 40 0 GIABRN CCN1C(=O)S/C(=C/c2cccn2-c2ccc(Br)cc2)C1=O ZINC000409068529 528953923 /nfs/dbraw/zinc/95/39/23/528953923.db2.gz AYQXXXKEVFVILZ-GXDHUFHOSA-N 0 0 377.263 4.296 40 0 GIABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCCc2ccccc21 ZINC000219326588 535818208 /nfs/dbraw/zinc/81/82/08/535818208.db2.gz PEMSSIMAJNBCOK-OAQYLSRUSA-N 0 0 386.923 4.457 40 0 GIABRN CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCN1CCCc2ccccc21 ZINC000219374220 536048060 /nfs/dbraw/zinc/04/80/60/536048060.db2.gz DODWENUQNSEZJG-QFIPXVFZSA-N 0 0 380.532 4.420 40 0 GIABRN Fc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c4ccccc34)n2)cc1 ZINC000514290453 560029256 /nfs/dbraw/zinc/02/92/56/560029256.db2.gz ALXXLBQJLHYARQ-NRFANRHFSA-N 0 0 376.435 4.271 40 0 biogenic,in-vitro GIABRN C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCc2ccccc2C1 ZINC000253402951 560040407 /nfs/dbraw/zinc/04/04/07/560040407.db2.gz PDANKNOOEWCRBR-ZDUSSCGKSA-N 0 0 382.847 4.247 40 0 biogenic,in-vitro GIABRN O=C(c1cccs1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(C3CCCCC3)ccc12 ZINC000008297485 560208227 /nfs/dbraw/zinc/20/82/27/560208227.db2.gz AGCZMVUOOSVURC-DOTOQJQBSA-N 0 0 382.529 4.217 40 0 biogenic,in-vitro GIABRN Cc1nc(CN2CCC3(CC2)c2ccccc2N(c2ccoc2)C3=O)cs1 ZINC000096078946 570210064 /nfs/dbraw/zinc/21/00/64/570210064.db2.gz RHGWJTBSMRQKTJ-UHFFFAOYSA-N 0 0 379.485 4.257 40 0 GIABRN Fc1cccc(F)c1Nc1cc(-c2ccncc2)nc(NC2CCCCC2)n1 ZINC000328972656 570210101 /nfs/dbraw/zinc/21/01/01/570210101.db2.gz DXAHDRXNSTWGCR-UHFFFAOYSA-N 0 0 381.430 4.149 40 0 GIABRN Cc1ccc(Nc2cc(-c3ccccn3)nc(N[C@H](CO)C(C)C)n2)c(Cl)c1 ZINC000328995051 570211013 /nfs/dbraw/zinc/21/10/13/570211013.db2.gz JFQRDXQCRXVRBL-LJQANCHMSA-N 0 0 397.910 4.095 40 0 GIABRN Fc1cc(F)cc(CNc2cc(-c3ccccc3)nc(NC3CCCC3)n2)c1 ZINC000328990327 570211061 /nfs/dbraw/zinc/21/10/61/570211061.db2.gz INKNRONKECTWHH-UHFFFAOYSA-N 0 0 380.442 4.232 40 0 GIABRN Cc1cc(Nc2cc(-c3ccncc3)nc(NC3CC3)n2)ccc1Br ZINC000329000644 570211405 /nfs/dbraw/zinc/21/14/05/570211405.db2.gz KALZFBNJFJEUDH-UHFFFAOYSA-N 0 0 396.292 4.349 40 0 GIABRN CCNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2cccnc2)n1 ZINC000329000121 570211576 /nfs/dbraw/zinc/21/15/76/570211576.db2.gz JZWVSXPVXVHTND-UHFFFAOYSA-N 0 0 393.800 4.230 40 0 GIABRN COc1ccc(N(C)c2ccc3ccc(C(=O)NCc4ccccn4)cn32)cc1 ZINC000096146211 570213807 /nfs/dbraw/zinc/21/38/07/570213807.db2.gz KRMOPNUYCXILLU-UHFFFAOYSA-N 0 0 386.455 4.041 40 0 GIABRN Cc1c(Nc2cc(-c3ccccn3)nc(NC3CC3)n2)cccc1C(F)(F)F ZINC000329034828 570214128 /nfs/dbraw/zinc/21/41/28/570214128.db2.gz RAPGEQIZZRASKF-UHFFFAOYSA-N 0 0 385.393 4.028 40 0 GIABRN Oc1ccc(Nc2cc(-c3ccccc3)nc(NC3CCCC3)n2)c(Cl)c1 ZINC000329044829 570214748 /nfs/dbraw/zinc/21/47/48/570214748.db2.gz SYBYKWZEOQWWIF-UHFFFAOYSA-N 0 0 380.879 4.445 40 0 GIABRN Fc1ccc(Nc2cc(Cl)nc(-c3ccccn3)n2)c(Br)c1 ZINC000329044988 570214846 /nfs/dbraw/zinc/21/48/46/570214846.db2.gz SZRGERRDKVNOIH-UHFFFAOYSA-N 0 0 379.620 4.259 40 0 GIABRN Cc1c(Br)cccc1Nc1cc(Cl)nc(-c2ccncc2)n1 ZINC000329051436 570215189 /nfs/dbraw/zinc/21/51/89/570215189.db2.gz UXFIQWFOVDDTFE-UHFFFAOYSA-N 0 0 375.657 4.428 40 0 GIABRN Fc1ccc(CNc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)cc1F ZINC000329057298 570215597 /nfs/dbraw/zinc/21/55/97/570215597.db2.gz VXGSEJTUCOIYPA-UHFFFAOYSA-N 0 0 395.457 4.017 40 0 GIABRN COCCNC(=O)c1cnc(-c2noc3cc(-c4ccc(F)cc4)ccc32)s1 ZINC000096154662 570216141 /nfs/dbraw/zinc/21/61/41/570216141.db2.gz YTLIFDJNBWEYQD-UHFFFAOYSA-N 0 0 397.431 4.134 40 0 GIABRN O=C(NCc1ccccn1)c1cc(-c2ccn(-c3ccccc3)n2)n2ccccc12 ZINC000096154753 570216178 /nfs/dbraw/zinc/21/61/78/570216178.db2.gz PFCBCSPHTIURAP-UHFFFAOYSA-N 0 0 393.450 4.117 40 0 GIABRN CCCCN(C)C(=O)c1cnc(-c2noc3cc(N4CCCC4)ccc32)s1 ZINC000096154558 570216195 /nfs/dbraw/zinc/21/61/95/570216195.db2.gz YELJUDPRDQFUBB-UHFFFAOYSA-N 0 0 384.505 4.424 40 0 GIABRN Cc1cnc(CNC(=O)c2cc(-c3csc(C(C)C)n3)n3ccccc23)cn1 ZINC000096154831 570216505 /nfs/dbraw/zinc/21/65/05/570216505.db2.gz RTYMTSLMJRVVTL-UHFFFAOYSA-N 0 0 391.500 4.215 40 0 GIABRN CN(C)C(=O)c1cc([C@H]2CCN(C(=O)CC3CCCCC3)C2)nc2ccccc21 ZINC000019761628 570216973 /nfs/dbraw/zinc/21/69/73/570216973.db2.gz MJLFLZBKHAHINT-SFHVURJKSA-N 0 0 393.531 4.223 40 0 GIABRN CCc1cccc(NC(=O)N2CC[C@]3(C[C@H]3C(=O)Nc3cccc(F)c3)C2)c1 ZINC000096227280 570220889 /nfs/dbraw/zinc/22/08/89/570220889.db2.gz PGDJIFZZRJJXMP-UGKGYDQZSA-N 0 0 381.451 4.271 40 0 GIABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 ZINC000096237525 570221735 /nfs/dbraw/zinc/22/17/35/570221735.db2.gz YXZTUAKWIUSOQV-MRXNPFEDSA-N 0 0 385.489 4.313 40 0 GIABRN CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)CC3CC3)CC2)c2ccccc21 ZINC000096242355 570222788 /nfs/dbraw/zinc/22/27/88/570222788.db2.gz NJOQNSSGDLNJNN-LJQANCHMSA-N 0 0 382.548 4.093 40 0 GIABRN Cc1cccc(NC(=O)N2CCO[C@H](c3ncn4c3cccc4C3CC3)C2)c1 ZINC000096267330 570227225 /nfs/dbraw/zinc/22/72/25/570227225.db2.gz WGOXDFIDCFPTHP-FQEVSTJZSA-N 0 0 376.460 4.126 40 0 GIABRN CC(=O)N[C@@H]1C[C@H](c2ccc(-n3cnc4ccccc43)cc2)O[C@@H]2CCC[C@H]21 ZINC000585262207 570229554 /nfs/dbraw/zinc/22/95/54/570229554.db2.gz VGTGHFOQXASQLP-CVNLYIMZSA-N 0 0 375.472 4.160 40 0 GIABRN C[C@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1Oc1cccc(Cl)c1 ZINC000585262213 570229815 /nfs/dbraw/zinc/22/98/15/570229815.db2.gz CDTHZLFTAQBTDP-HKUYNNGSSA-N 0 0 380.271 4.038 40 0 GIABRN COc1ccc(OC)c(C(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@H]3C2(C)C)c1 ZINC000000929301 570229882 /nfs/dbraw/zinc/22/98/82/570229882.db2.gz FJVRJHBPXFUZIF-SZNDQCEHSA-N 0 0 399.516 4.039 40 0 GIABRN COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(C)cc2C)o1 ZINC000019928480 570230534 /nfs/dbraw/zinc/23/05/34/570230534.db2.gz OSQWKHJQWYCUTC-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN c1ccc(Nc2cccc(C3CCN(Cc4nc5ccccc5[nH]4)CC3)n2)nc1 ZINC000585263367 570231774 /nfs/dbraw/zinc/23/17/74/570231774.db2.gz XFQMQSPAUCCDJG-UHFFFAOYSA-N 0 0 384.487 4.476 40 0 GIABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cnc(-c2ccccc2)[nH]c1=O ZINC000019937246 570231897 /nfs/dbraw/zinc/23/18/97/570231897.db2.gz IOJJFBJXBMQGJJ-UHFFFAOYSA-N 0 0 393.752 4.361 40 0 GIABRN O=C(c1cnc(-c2ccccc2)[nH]c1=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000019937273 570231948 /nfs/dbraw/zinc/23/19/48/570231948.db2.gz SNAJZBGYHXKRJZ-UHFFFAOYSA-N 0 0 395.462 4.280 40 0 GIABRN Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Br)cc2)c(C)c1 ZINC000020038671 570236473 /nfs/dbraw/zinc/23/64/73/570236473.db2.gz KESDXNACFPXJCD-CQSZACIVSA-N 0 0 382.323 4.247 40 0 GIABRN CCCCc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 ZINC000020041124 570236872 /nfs/dbraw/zinc/23/68/72/570236872.db2.gz JDMNUHUWVRUMBW-UHFFFAOYSA-N 0 0 380.897 4.306 40 0 GIABRN COc1ccc(SCC(=O)NCCSCc2ccc(Cl)cc2)cc1 ZINC000020047996 570237684 /nfs/dbraw/zinc/23/76/84/570237684.db2.gz ZVJPIBFEVFDARB-UHFFFAOYSA-N 0 0 381.950 4.490 40 0 GIABRN COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 ZINC000020112792 570241318 /nfs/dbraw/zinc/24/13/18/570241318.db2.gz JWBATPMNYOQAST-SNVBAGLBSA-N 0 0 390.288 4.050 40 0 GIABRN O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1cccc(Cl)c1 ZINC000020437123 570255937 /nfs/dbraw/zinc/25/59/37/570255937.db2.gz FAGAQCQSYADSFD-UHFFFAOYSA-N 0 0 386.860 4.219 40 0 GIABRN CCS(=O)(=O)N1c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2C[C@H]1C ZINC000020449060 570256245 /nfs/dbraw/zinc/25/62/45/570256245.db2.gz XUUHHJZVBWUCAF-GFCCVEGCSA-N 0 0 392.908 4.001 40 0 GIABRN CCS(=O)(=O)N1c2ccc(C(=O)Nc3cccc4ccccc43)cc2C[C@@H]1C ZINC000020449008 570256248 /nfs/dbraw/zinc/25/62/48/570256248.db2.gz MDUYNVNDWRLXOQ-HNNXBMFYSA-N 0 0 394.496 4.193 40 0 GIABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1Cl ZINC000020454090 570258196 /nfs/dbraw/zinc/25/81/96/570258196.db2.gz NSGWNQLJJIKLED-UHFFFAOYSA-N 0 0 393.679 4.271 40 0 GIABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000020459494 570260281 /nfs/dbraw/zinc/26/02/81/570260281.db2.gz GTRPKRXKRXCYAL-XMMPIXPASA-N 0 0 388.511 4.342 40 0 GIABRN COC(=O)c1cccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 ZINC000020460859 570260634 /nfs/dbraw/zinc/26/06/34/570260634.db2.gz ATJQIOYAMXCNQC-UHFFFAOYSA-N 0 0 386.451 4.288 40 0 GIABRN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2ncccc2-c2nc3ccccc3[nH]2)C1 ZINC000001329564 570260875 /nfs/dbraw/zinc/26/08/75/570260875.db2.gz JBBAIMLFVVRRNJ-HUUCEWRRSA-N 0 0 380.517 4.222 40 0 GIABRN O=C(/C=C/c1ccco1)N1CCC[C@@H](Cc2ccnc(Nc3ccccn3)c2)C1 ZINC000585291977 570261180 /nfs/dbraw/zinc/26/11/80/570261180.db2.gz HRUHXVULYXCTBP-SGQUHAKNSA-N 0 0 388.471 4.308 40 0 GIABRN CC[C@@H](NC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1)c1ccc(OC)cc1 ZINC000020488730 570262717 /nfs/dbraw/zinc/26/27/17/570262717.db2.gz MQKSOGCKCGNULJ-KBXCAEBGSA-N 0 0 389.517 4.461 40 0 GIABRN COC(=O)c1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)c(Br)c1 ZINC000098210749 570263961 /nfs/dbraw/zinc/26/39/61/570263961.db2.gz MTJXMWYQYZAIFP-VIFPVBQESA-N 0 0 397.065 4.039 40 0 GIABRN Cc1[nH]c2ccccc2c1C(=O)C[C@]1(O)C(=O)Nc2c1cc(Cl)cc2Cl ZINC000001624393 570266074 /nfs/dbraw/zinc/26/60/74/570266074.db2.gz CEIIMNABGZPOEZ-LJQANCHMSA-N 0 0 389.238 4.196 40 0 GIABRN COC(=O)c1cccc2c1Cc1c-2cc(Br)c(N)c1Br ZINC000001638399 570266388 /nfs/dbraw/zinc/26/63/88/570266388.db2.gz WMNBAWSTAQCPOD-UHFFFAOYSA-N 0 0 397.066 4.152 40 0 GIABRN O=C(c1ccco1)N(C(=S)N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000001635191 570266414 /nfs/dbraw/zinc/26/64/14/570266414.db2.gz KQACBVYEFJNKBG-UHFFFAOYSA-N 0 0 391.496 4.034 40 0 GIABRN CCOc1cc(OCC)c(OCC)cc1/C=C1/N=C(c2ccccc2)OC1=O ZINC000001735325 570267489 /nfs/dbraw/zinc/26/74/89/570267489.db2.gz OMXIBTONJJLOBL-SFQUDFHCSA-N 0 0 381.428 4.227 40 0 GIABRN CC(C)(C)C(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)C2CCC2)c2nccs2)CC1 ZINC000100223398 570269506 /nfs/dbraw/zinc/26/95/06/570269506.db2.gz SUEPABAYXIJJMJ-UXLLHSPISA-N 0 0 391.581 4.069 40 0 GIABRN Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(C)c(Cl)c4)cc3)nn12 ZINC000020609723 570271893 /nfs/dbraw/zinc/27/18/93/570271893.db2.gz KFPAKWHMTWQLPQ-UHFFFAOYSA-N 0 0 383.864 4.375 40 0 GIABRN CCCc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccco4)c3)nn12 ZINC000020609682 570271899 /nfs/dbraw/zinc/27/18/99/570271899.db2.gz BKBWVQHFWCIHLN-MDZDMXLPSA-N 0 0 379.445 4.050 40 0 GIABRN CCc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Br)c2)cc1 ZINC000020611470 570272054 /nfs/dbraw/zinc/27/20/54/570272054.db2.gz ARCNWZJQUSLUMS-UHFFFAOYSA-N 0 0 389.293 4.100 40 0 GIABRN Clc1ccc(NC=Cc2nnnn2-c2ccc(Br)cc2)cc1 ZINC000100662179 570274338 /nfs/dbraw/zinc/27/43/38/570274338.db2.gz YVUJHRVDCMWTIL-KTKRTIGZSA-N 0 0 376.645 4.161 40 0 GIABRN Cc1ccc(-c2c3c(N)nc(N4CCCCC4)nc3nc3c2C(=O)CCC3)cc1 ZINC000020673560 570274736 /nfs/dbraw/zinc/27/47/36/570274736.db2.gz GTCWAEHCHALEIZ-UHFFFAOYSA-N 0 0 387.487 4.092 40 0 GIABRN Cc1c(C=O)c2ccccc2n1Cc1ccc(I)cc1 ZINC000005986555 570275337 /nfs/dbraw/zinc/27/53/37/570275337.db2.gz GDBBEGVKGVHZQW-UHFFFAOYSA-N 0 0 375.209 4.415 40 0 GIABRN Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)C3CCCCC3)CC2)on1 ZINC000100744012 570275947 /nfs/dbraw/zinc/27/59/47/570275947.db2.gz WHOCIPDMXUKCAF-CALCHBBNSA-N 0 0 384.524 4.354 40 0 GIABRN CCOC(=O)COc1ccc2cc(Br)ccc2c1Br ZINC000000626449 570277648 /nfs/dbraw/zinc/27/76/48/570277648.db2.gz VUHZWVRIPSGTRG-UHFFFAOYSA-N 0 0 388.055 4.307 40 0 GIABRN Cc1nc(C)n([C@@H](C)Cc2cc(=O)n3nc(-c4ccc5ccccc5c4)cc3[nH]2)n1 ZINC000100776260 570277803 /nfs/dbraw/zinc/27/78/03/570277803.db2.gz FQLSYSBXFSFMMX-AWEZNQCLSA-N 0 0 398.470 4.267 40 0 GIABRN CCc1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3ccn(C)n3)cs2)cc1 ZINC000585295407 570279789 /nfs/dbraw/zinc/27/97/89/570279789.db2.gz YLCQYQJOFWJKPC-IBGZPJMESA-N 0 0 395.532 4.028 40 0 GIABRN Brc1[nH]c(Br)c(Br)c1Br ZINC000002519501 570289768 /nfs/dbraw/zinc/28/97/68/570289768.db2.gz MIIWISWSCMVZHG-UHFFFAOYSA-N 0 0 382.675 4.065 40 0 GIABRN 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[C@@H]32)C1 ZINC000002563197 570290929 /nfs/dbraw/zinc/29/09/29/570290929.db2.gz TVQDBRRFOFGWDS-TZXQKUFUSA-N 0 0 376.537 4.281 40 0 GIABRN COc1ccc(NC(=O)CSc2nnc(COc3cc(C)cc(C)c3)o2)cc1 ZINC000216033274 570295009 /nfs/dbraw/zinc/29/50/09/570295009.db2.gz NSAKOCMOKVZANS-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN COc1cccc(NC(=O)CSc2nnc(COc3cc(C)cc(C)c3)o2)c1 ZINC000216033131 570295049 /nfs/dbraw/zinc/29/50/49/570295049.db2.gz CNEMXUISNJTJFO-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN O=C1S/C(=C/c2cc3ccccc3oc2=O)C(=O)N1Cc1ccccc1F ZINC000001105321 570295489 /nfs/dbraw/zinc/29/54/89/570295489.db2.gz NKFQTJDDJBPOIY-LICLKQGHSA-N 0 0 381.384 4.169 40 0 GIABRN CCCCN1c2nc3ccccc3n2[C@@H]([C@@H]2CC=CCC2)[C@@H](C(=O)OCC)C1=O ZINC000216106640 570295868 /nfs/dbraw/zinc/29/58/68/570295868.db2.gz IXIAVJMBTOLWCN-AHRSYUTCSA-N 0 0 395.503 4.260 40 0 GIABRN CC[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccc(C)cc1 ZINC000216256830 570298014 /nfs/dbraw/zinc/29/80/14/570298014.db2.gz SFPSWFVFQXSXLM-QGZVFWFLSA-N 0 0 382.323 4.328 40 0 GIABRN CCCCc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000216277114 570298143 /nfs/dbraw/zinc/29/81/43/570298143.db2.gz VXXQWZOSIHWDEO-UHFFFAOYSA-N 0 0 386.517 4.265 40 0 GIABRN CC(C)Oc1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000042645950 570303128 /nfs/dbraw/zinc/30/31/28/570303128.db2.gz WUFDNIPWTQQKAK-UHFFFAOYSA-N 0 0 381.259 4.036 40 0 GIABRN COc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c(OC)c1 ZINC000021595293 570306573 /nfs/dbraw/zinc/30/65/73/570306573.db2.gz XKQRDFJWSNOUGR-UHFFFAOYSA-N 0 0 375.384 4.159 40 0 GIABRN CC(=O)Nc1ccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1 ZINC000022245375 570310213 /nfs/dbraw/zinc/31/02/13/570310213.db2.gz FLTOVEMHYYPHLS-UHFFFAOYSA-N 0 0 380.473 4.430 40 0 GIABRN CCN(Cc1nc(-c2ccc(C)cc2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000022256922 570311153 /nfs/dbraw/zinc/31/11/53/570311153.db2.gz FCAAHKJVTKHBCT-UHFFFAOYSA-N 0 0 399.516 4.379 40 0 GIABRN NC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258163 570311219 /nfs/dbraw/zinc/31/12/19/570311219.db2.gz XLEYBMGBBRVKMJ-UHFFFAOYSA-N 0 0 380.831 4.270 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2NCC(C)C)cc1 ZINC000072213293 570314024 /nfs/dbraw/zinc/31/40/24/570314024.db2.gz IMBNXMWQBBTZNB-FQEVSTJZSA-N 0 0 387.549 4.374 40 0 GIABRN Cc1cc(C)c(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c(C)c1 ZINC000022390906 570315620 /nfs/dbraw/zinc/31/56/20/570315620.db2.gz JQAVZPFCQABYKC-UHFFFAOYSA-N 0 0 388.533 4.140 40 0 GIABRN CCn1cc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)c(=O)c2cc(OC)ccc21 ZINC000022606056 570322588 /nfs/dbraw/zinc/32/25/88/570322588.db2.gz HWKAVAGUOCHNNR-QGZVFWFLSA-N 0 0 392.499 4.446 40 0 GIABRN CSc1ccccc1NC(=O)COc1ccc(I)cc1 ZINC000022740251 570325885 /nfs/dbraw/zinc/32/58/85/570325885.db2.gz RAQQEYMYQMQBIM-UHFFFAOYSA-N 0 0 399.253 4.031 40 0 GIABRN COC(=O)[C@@H](NC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12)C(C)(C)C ZINC000575598554 570327702 /nfs/dbraw/zinc/32/77/02/570327702.db2.gz RVAWIZIGOSKPBP-HXUWFJFHSA-N 0 0 396.462 4.146 40 0 in-vitro GIABRN CC(C)c1ccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000113965181 570337011 /nfs/dbraw/zinc/33/70/11/570337011.db2.gz PXXNYORBNNECDM-UHFFFAOYSA-N 0 0 392.496 4.134 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)c1 ZINC000408573361 570340732 /nfs/dbraw/zinc/34/07/32/570340732.db2.gz CPOVTZGRCVHURW-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN Cc1ccc2nsnc2c1NC(=S)NC(=O)c1ccc2ccccc2c1 ZINC000408573827 570341358 /nfs/dbraw/zinc/34/13/58/570341358.db2.gz OPPGQUJPKJXLKJ-UHFFFAOYSA-N 0 0 378.482 4.280 40 0 GIABRN CCOc1ccc(CNC(=O)COc2ccc(CC)cc2Br)cc1 ZINC000218865737 570342350 /nfs/dbraw/zinc/34/23/50/570342350.db2.gz AYOQMDNGEVXTFJ-UHFFFAOYSA-N 0 0 392.293 4.105 40 0 GIABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000219204599 570349405 /nfs/dbraw/zinc/34/94/05/570349405.db2.gz UTODKIVOTNPUBT-LJQANCHMSA-N 0 0 378.472 4.154 40 0 GIABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000219215264 570349547 /nfs/dbraw/zinc/34/95/47/570349547.db2.gz NGWZBJISMQKLHR-LJQANCHMSA-N 0 0 378.472 4.154 40 0 GIABRN Cc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)c1 ZINC000219300024 570351884 /nfs/dbraw/zinc/35/18/84/570351884.db2.gz JBSRHDCBIWSYQA-MRXNPFEDSA-N 0 0 379.460 4.252 40 0 GIABRN CCc1ccccc1O[C@@H](C)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000219296841 570352009 /nfs/dbraw/zinc/35/20/09/570352009.db2.gz DXOARJHCWWBKCK-INIZCTEOSA-N 0 0 379.460 4.033 40 0 GIABRN CC(=O)Nc1ccccc1SCC(=O)Nc1ccc(Br)cc1 ZINC000006296159 570353149 /nfs/dbraw/zinc/35/31/49/570353149.db2.gz BRBLJQMZCAIEOX-UHFFFAOYSA-N 0 0 379.279 4.138 40 0 GIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219359861 570357024 /nfs/dbraw/zinc/35/70/24/570357024.db2.gz AIBMBKLWVWPNIG-VQTJNVASSA-N 0 0 399.487 4.280 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000219372612 570357164 /nfs/dbraw/zinc/35/71/64/570357164.db2.gz QQXSPGUGFWMXBJ-LJQANCHMSA-N 0 0 393.487 4.478 40 0 GIABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000219375911 570357574 /nfs/dbraw/zinc/35/75/74/570357574.db2.gz PEYPIRGCZVJNBC-LJQANCHMSA-N 0 0 385.504 4.227 40 0 GIABRN O=C(Sc1nnc(COc2ccccc2)o1)c1ccc(Br)cc1 ZINC000408618568 570365010 /nfs/dbraw/zinc/36/50/10/570365010.db2.gz DKMAPISJHVRKFV-UHFFFAOYSA-N 0 0 391.246 4.344 40 0 GIABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](N5CC5)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118924041 570368085 /nfs/dbraw/zinc/36/80/85/570368085.db2.gz LEWNLHKUUYCCDG-DMQFDWFSSA-N 0 0 399.575 4.380 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2ccccc2F)ccc1Cl ZINC000219578816 570369361 /nfs/dbraw/zinc/36/93/61/570369361.db2.gz OTRQKLGSYMBPKY-MRXNPFEDSA-N 0 0 379.815 4.452 40 0 GIABRN CC(C)C(=O)NC(=S)Nc1ccc2nn(-c3cccc4ccccc43)nc2c1 ZINC000408621696 570371481 /nfs/dbraw/zinc/37/14/81/570371481.db2.gz NHUHWHRPORDRLY-UHFFFAOYSA-N 0 0 389.484 4.043 40 0 GIABRN CCOc1cccc(C(=O)NC(=S)Nc2ccc(Br)cc2F)c1 ZINC000408625584 570377105 /nfs/dbraw/zinc/37/71/05/570377105.db2.gz DYKJPJDKZLACJN-UHFFFAOYSA-N 0 0 397.269 4.114 40 0 GIABRN Cc1cc(NC(=S)NC(=O)C(C)C)ccc1-c1cc2ccccc2oc1=O ZINC000408626513 570378777 /nfs/dbraw/zinc/37/87/77/570378777.db2.gz HTELFKMQMDYFFU-UHFFFAOYSA-N 0 0 380.469 4.237 40 0 GIABRN Cc1ccc(NC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c(C)c1 ZINC000220351263 570385459 /nfs/dbraw/zinc/38/54/59/570385459.db2.gz QZUGEBYINWWDBI-OAHLLOKOSA-N 0 0 394.924 4.058 40 0 GIABRN CCSc1ncccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072217220 570390624 /nfs/dbraw/zinc/39/06/24/570390624.db2.gz PPDAVNCNVGJIJM-GOSISDBHSA-N 0 0 376.547 4.418 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1 ZINC000222502185 570412921 /nfs/dbraw/zinc/41/29/21/570412921.db2.gz CAAQWOADXXTCTH-QFIPXVFZSA-N 0 0 396.531 4.014 40 0 GIABRN Cc1ccc(C)c(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c1 ZINC000222526469 570413719 /nfs/dbraw/zinc/41/37/19/570413719.db2.gz DXXVQQGQCOVNEY-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN Cn1cccc1CN(Cc1ccccc1)C(=O)c1ccc2nc(Cl)n(C)c2c1 ZINC000222556003 570414563 /nfs/dbraw/zinc/41/45/63/570414563.db2.gz FMTBATDJLAQVAP-UHFFFAOYSA-N 0 0 392.890 4.408 40 0 GIABRN CCCOc1cc2c(cc1[C@H]1[C@H](c3ccccn3)N=C3S[C@@H](C)CN31)OCO2 ZINC000222567396 570414741 /nfs/dbraw/zinc/41/47/41/570414741.db2.gz IKIPGGZFXIEIDM-MRFFXTKBSA-N 0 0 397.500 4.188 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000222610894 570416672 /nfs/dbraw/zinc/41/66/72/570416672.db2.gz JCIDOOAQQSHHTO-REWPJTCUSA-N 0 0 394.559 4.302 40 0 GIABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000222636397 570418013 /nfs/dbraw/zinc/41/80/13/570418013.db2.gz HUMRUWYPOZUKEB-QGZVFWFLSA-N 0 0 392.499 4.207 40 0 GIABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccccc2)c1 ZINC000222671885 570419797 /nfs/dbraw/zinc/41/97/97/570419797.db2.gz KEZHKRYZDKFMEB-ZHZULCJRSA-N 0 0 376.481 4.144 40 0 GIABRN Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc(C)c1Cl ZINC000222693318 570420993 /nfs/dbraw/zinc/42/09/93/570420993.db2.gz UZOMHCJBXZSZGJ-HUUCEWRRSA-N 0 0 389.879 4.373 40 0 GIABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3Cc3ccccn3)N21 ZINC000222710892 570421849 /nfs/dbraw/zinc/42/18/49/570421849.db2.gz RJUSZUDLJUIPMG-DZFGPLHGSA-N 0 0 389.528 4.306 40 0 GIABRN CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 ZINC000222728367 570422666 /nfs/dbraw/zinc/42/26/66/570422666.db2.gz MHKBTBMRZFYGPB-ZWKOTPCHSA-N 0 0 391.525 4.084 40 0 GIABRN COc1ccc(OC)c([C@H](C)NC(=O)CCCOc2ccc(Cl)cc2)c1 ZINC000222732801 570423032 /nfs/dbraw/zinc/42/30/32/570423032.db2.gz OBQFQXJBNWWEJU-AWEZNQCLSA-N 0 0 377.868 4.394 40 0 GIABRN CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000222744669 570423431 /nfs/dbraw/zinc/42/34/31/570423431.db2.gz WJGDIIIVWIXRIW-ZDUSSCGKSA-N 0 0 379.287 4.047 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000222768846 570424942 /nfs/dbraw/zinc/42/49/42/570424942.db2.gz ZXPXOSFUOSJUNR-CQSZACIVSA-N 0 0 393.314 4.008 40 0 GIABRN CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC)cc1 ZINC000222798373 570426415 /nfs/dbraw/zinc/42/64/15/570426415.db2.gz WZPLLBSSORUPQZ-SFTDATJTSA-N 0 0 392.528 4.263 40 0 GIABRN C[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000026556216 570426949 /nfs/dbraw/zinc/42/69/49/570426949.db2.gz YZWDTPSFPOPNQD-AHQMPEJBSA-N 0 0 385.529 4.278 40 0 GIABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1nccs1 ZINC000222817899 570427312 /nfs/dbraw/zinc/42/73/12/570427312.db2.gz JEZNVZWPDAZIPN-MSOLQXFVSA-N 0 0 397.573 4.327 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)COc3ccccc3C(C)C)n2)c1 ZINC000222814563 570427342 /nfs/dbraw/zinc/42/73/42/570427342.db2.gz YYFZVHMRPZGRIG-UHFFFAOYSA-N 0 0 379.460 4.206 40 0 GIABRN COc1cc2c(cc1S(=O)(=O)NCc1ccc3ccccc3c1)CCCC2 ZINC000222820772 570427636 /nfs/dbraw/zinc/42/76/36/570427636.db2.gz RSXRRWCVQLJGLM-UHFFFAOYSA-N 0 0 381.497 4.206 40 0 GIABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 ZINC000222840824 570428454 /nfs/dbraw/zinc/42/84/54/570428454.db2.gz VTDNVYYKXONWTG-VQTJNVASSA-N 0 0 380.492 4.392 40 0 GIABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000026805303 570428866 /nfs/dbraw/zinc/42/88/66/570428866.db2.gz RKFHGFMMWIDSMW-STZFKDTASA-N 0 0 390.439 4.315 40 0 GIABRN CCc1ccc(O[C@@H](CC)C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1 ZINC000222902886 570430716 /nfs/dbraw/zinc/43/07/16/570430716.db2.gz AHHHTSOBKDLKFZ-INIZCTEOSA-N 0 0 385.489 4.177 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)ccc1C ZINC000222926689 570431680 /nfs/dbraw/zinc/43/16/80/570431680.db2.gz MIHBQQUUQHSSGM-QGZVFWFLSA-N 0 0 386.923 4.053 40 0 GIABRN COc1ccc(C(=O)N2CCc3ccc(NC(=O)Cc4cccs4)cc32)cc1 ZINC000222958732 570433376 /nfs/dbraw/zinc/43/33/76/570433376.db2.gz AEVTVYYOCXVVPL-UHFFFAOYSA-N 0 0 392.480 4.141 40 0 GIABRN CC(=O)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000007929489 570433744 /nfs/dbraw/zinc/43/37/44/570433744.db2.gz HYIRHUIZBDBJCE-GFCCVEGCSA-N 0 0 392.238 4.155 40 0 GIABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000222979312 570434896 /nfs/dbraw/zinc/43/48/96/570434896.db2.gz NMHQFWUBZFHHCH-GOSISDBHSA-N 0 0 386.536 4.219 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)COc1ccc(OC)cc1 ZINC000223026169 570438183 /nfs/dbraw/zinc/43/81/83/570438183.db2.gz GHJZNFZSJPTLIQ-FOIQADDNSA-N 0 0 391.895 4.398 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1 ZINC000223027707 570438351 /nfs/dbraw/zinc/43/83/51/570438351.db2.gz QMRGKEXHELYISL-SJORKVTESA-N 0 0 386.923 4.215 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1 ZINC000223041052 570438941 /nfs/dbraw/zinc/43/89/41/570438941.db2.gz XLPIILATABQOAD-HXUWFJFHSA-N 0 0 396.531 4.016 40 0 GIABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C(C)C)c1C ZINC000223049253 570439858 /nfs/dbraw/zinc/43/98/58/570439858.db2.gz VKYASIMXSPCVRD-WOJBJXKFSA-N 0 0 386.565 4.090 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl ZINC000223053286 570440387 /nfs/dbraw/zinc/44/03/87/570440387.db2.gz NNVWFMCBVCJFPG-FQEVSTJZSA-N 0 0 386.923 4.134 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1C ZINC000223061435 570441206 /nfs/dbraw/zinc/44/12/06/570441206.db2.gz VGILZQVHWJWRQV-OAQYLSRUSA-N 0 0 398.572 4.090 40 0 GIABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 ZINC000223069553 570441553 /nfs/dbraw/zinc/44/15/53/570441553.db2.gz PPXRONSWEHAZCE-NHCUHLMSSA-N 0 0 393.512 4.351 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 ZINC000223091807 570442791 /nfs/dbraw/zinc/44/27/91/570442791.db2.gz KTQNLHKLYQNBCU-GOSISDBHSA-N 0 0 384.495 4.010 40 0 GIABRN Cc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)C[C@@H]3C)c(Br)c1 ZINC000223098285 570443184 /nfs/dbraw/zinc/44/31/84/570443184.db2.gz BENOCFZOBLEYSP-LBPRGKRZSA-N 0 0 397.272 4.442 40 0 GIABRN CCc1ccc(CC)c(CNS(=O)(=O)c2ccc3cc(OC)ccc3c2)c1 ZINC000223181927 570448558 /nfs/dbraw/zinc/44/85/58/570448558.db2.gz PPABCBZQLUFROI-UHFFFAOYSA-N 0 0 383.513 4.452 40 0 GIABRN CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(C)=O ZINC000223192239 570449069 /nfs/dbraw/zinc/44/90/69/570449069.db2.gz BJDXOBGAXJQOOZ-JOCHJYFZSA-N 0 0 384.495 4.092 40 0 GIABRN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1 ZINC000223199323 570449399 /nfs/dbraw/zinc/44/93/99/570449399.db2.gz JQSOSAYKQJKEDC-UONOGXRCSA-N 0 0 377.868 4.310 40 0 GIABRN C[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccc2c(c1)CCC2 ZINC000223201663 570449801 /nfs/dbraw/zinc/44/98/01/570449801.db2.gz WOECLCAEAAASNW-CYBMUJFWSA-N 0 0 394.334 4.118 40 0 GIABRN C[C@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccc2c(c1)CCC2 ZINC000223201713 570449840 /nfs/dbraw/zinc/44/98/40/570449840.db2.gz WOECLCAEAAASNW-ZDUSSCGKSA-N 0 0 394.334 4.118 40 0 GIABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCc2ccco2)c1 ZINC000223209918 570450353 /nfs/dbraw/zinc/45/03/53/570450353.db2.gz HCNMFEAMRNRLJF-HKWRFOASSA-N 0 0 394.496 4.169 40 0 GIABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1C(C)C ZINC000223305388 570457237 /nfs/dbraw/zinc/45/72/37/570457237.db2.gz KRIVJEHMIOMHNS-WMQCIHAUSA-N 0 0 398.576 4.232 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1C[C@@H]1CCCO1 ZINC000223326789 570458544 /nfs/dbraw/zinc/45/85/44/570458544.db2.gz QBWXCYYFNXVURZ-TYPHKJRUSA-N 0 0 396.560 4.150 40 0 GIABRN CCCC(=O)Nc1c(C)c(Br)c(N)c(Br)c1CC ZINC000045890759 570459290 /nfs/dbraw/zinc/45/92/90/570459290.db2.gz KROXHEVNSUEQEW-UHFFFAOYSA-N 0 0 378.108 4.403 40 0 GIABRN CCCC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NCC ZINC000223361490 570461766 /nfs/dbraw/zinc/46/17/66/570461766.db2.gz GMIKWOOBAXXNCS-HXUWFJFHSA-N 0 0 386.923 4.216 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000223407850 570464420 /nfs/dbraw/zinc/46/44/20/570464420.db2.gz OXLFNQFDFIQROG-NRFANRHFSA-N 0 0 398.522 4.480 40 0 GIABRN CCC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223424492 570465455 /nfs/dbraw/zinc/46/54/55/570465455.db2.gz SQZOBHNLZCFPPA-SIKLNZKXSA-N 0 0 380.532 4.260 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 ZINC000223448437 570466615 /nfs/dbraw/zinc/46/66/15/570466615.db2.gz IEBNVAKPXDYVFR-NRFANRHFSA-N 0 0 398.522 4.399 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223546867 570470791 /nfs/dbraw/zinc/47/07/91/570470791.db2.gz PQSMNBYRPFDSAG-AWEZNQCLSA-N 0 0 393.314 4.089 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 ZINC000223582643 570472783 /nfs/dbraw/zinc/47/27/83/570472783.db2.gz RYXQXOCDXBKVLJ-LJQANCHMSA-N 0 0 396.531 4.051 40 0 GIABRN CC(=O)Nc1ccc2nc(NC(=O)CSc3ccc(Cl)cc3)oc2c1 ZINC000006296101 570476076 /nfs/dbraw/zinc/47/60/76/570476076.db2.gz PCDNERGQHVTKRZ-UHFFFAOYSA-N 0 0 375.837 4.170 40 0 GIABRN CC(C)Oc1ccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1 ZINC000006307263 570476431 /nfs/dbraw/zinc/47/64/31/570476431.db2.gz RNZSVVBDBPSQLX-UHFFFAOYSA-N 0 0 397.500 4.172 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 ZINC000223702201 570479832 /nfs/dbraw/zinc/47/98/32/570479832.db2.gz IWWVREQYOXAINN-QFIPXVFZSA-N 0 0 396.531 4.098 40 0 GIABRN COc1ccc(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)cc1C ZINC000223721358 570481389 /nfs/dbraw/zinc/48/13/89/570481389.db2.gz DJLZKLPHBGJYRX-UHFFFAOYSA-N 0 0 383.469 4.274 40 0 GIABRN CCOC(=O)c1c(NC(=O)CC)sc(C)c1-c1ccc(OC)c(OC)c1 ZINC000000798322 570482243 /nfs/dbraw/zinc/48/22/43/570482243.db2.gz JHNFMSCDMSNORN-UHFFFAOYSA-N 0 0 377.462 4.266 40 0 GIABRN CCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(=O)CC ZINC000000817999 570484674 /nfs/dbraw/zinc/48/46/74/570484674.db2.gz PGPTVORTDLDLSF-WJDWOHSUSA-N 0 0 399.830 4.399 40 0 GIABRN COC(=O)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3Cc4ccccc4[C@@H]32)cc1 ZINC000006606396 570484745 /nfs/dbraw/zinc/48/47/45/570484745.db2.gz DBNZSTWAWLVZQS-ZACQAIPSSA-N 0 0 395.505 4.169 40 0 GIABRN Cc1cc(NC(=S)NC(=O)CC(C)C)cc(-c2nc3ccccc3o2)c1O ZINC000006613129 570484925 /nfs/dbraw/zinc/48/49/25/570484925.db2.gz AHGFRAPUDZODJS-UHFFFAOYSA-N 0 0 383.473 4.368 40 0 GIABRN COc1ccccc1C(=O)NC(=S)Nc1nc2cc(Cl)c(C)cc2s1 ZINC000006826415 570496135 /nfs/dbraw/zinc/49/61/35/570496135.db2.gz OKOMBFXIIGOZPO-UHFFFAOYSA-N 0 0 391.905 4.394 40 0 GIABRN COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 ZINC000030847273 570497895 /nfs/dbraw/zinc/49/78/95/570497895.db2.gz RUSPJHMOSLLXQV-CQSZACIVSA-N 0 0 386.517 4.343 40 0 GIABRN COC(=O)c1c(C)c(C(=O)Nc2ccc(Cl)cc2)sc1NC(=O)C(C)C ZINC000000871514 570502577 /nfs/dbraw/zinc/50/25/77/570502577.db2.gz QGYRTKUKKBGPFL-UHFFFAOYSA-N 0 0 394.880 4.343 40 0 GIABRN Cc1cc(C)cc(OCc2nnc(SCC(=O)N3[C@H](C)CCC[C@@H]3C)o2)c1 ZINC000000876043 570504203 /nfs/dbraw/zinc/50/42/03/570504203.db2.gz XLKCOBDLYFYTGJ-IYBDPMFKSA-N 0 0 389.521 4.147 40 0 GIABRN Cc1cc2c3nnc(SCC(=O)Nc4cccc(C)c4C)nc3[nH]c2c(C)c1 ZINC000000877603 570505285 /nfs/dbraw/zinc/50/52/85/570505285.db2.gz SODSOXCWFUMRGA-UHFFFAOYSA-N 0 0 391.500 4.471 40 0 GIABRN COc1cccc([C@@H]2c3cc4c(cc3O[C@H](N3CCCC3)[C@@H]2C)OCO4)c1OC ZINC000031860787 570506850 /nfs/dbraw/zinc/50/68/50/570506850.db2.gz GWPIAAOPZQZVTR-NZCIYTFRSA-N 0 0 397.471 4.015 40 0 GIABRN Cc1cccc(C(=O)NC(=S)Nc2nc3c(ccc(Cl)c3Cl)s2)c1 ZINC000032127674 570509904 /nfs/dbraw/zinc/50/99/04/570509904.db2.gz XGNJSGILAKTSNU-UHFFFAOYSA-N 0 0 396.324 4.460 40 0 GIABRN CCOc1ccc([C@@H](NC(=O)c2ccc(C)cc2)n2nnc3ccccc32)cc1 ZINC000000885413 570510138 /nfs/dbraw/zinc/51/01/38/570510138.db2.gz RSWBPXUDQTYMGF-QFIPXVFZSA-N 0 0 386.455 4.115 40 0 GIABRN Cc1cccc(NC(=O)CSc2nnc(COc3ccccc3C)n2C)c1C ZINC000000894688 570512919 /nfs/dbraw/zinc/51/29/19/570512919.db2.gz IIMROFQRQSNYCJ-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN CCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000224456986 570513923 /nfs/dbraw/zinc/51/39/23/570513923.db2.gz UNTRCEQLNHILIL-HXUWFJFHSA-N 0 0 384.495 4.090 40 0 GIABRN CC[C@H](C)NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000000901500 570514276 /nfs/dbraw/zinc/51/42/76/570514276.db2.gz SWMOBUHHGCQSJK-VIFPVBQESA-N 0 0 375.441 4.231 40 0 GIABRN Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)N3CCC[C@@H](C)C3)n12 ZINC000000902996 570514760 /nfs/dbraw/zinc/51/47/60/570514760.db2.gz UBXDSAYCPXDFCS-CYBMUJFWSA-N 0 0 382.533 4.158 40 0 GIABRN CCOc1ccc(N2C(=S)N[C@@H]3C[C@@]2(C)Oc2c(OCC)cccc23)cc1 ZINC000002963423 570518111 /nfs/dbraw/zinc/51/81/11/570518111.db2.gz HKNUCODTQWPLTH-DYESRHJHSA-N 0 0 384.501 4.419 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C ZINC000224697360 570525159 /nfs/dbraw/zinc/52/51/59/570525159.db2.gz LPTOLHJBDAWVBP-HXUWFJFHSA-N 0 0 380.532 4.098 40 0 GIABRN C[C@@H]1CC[C@H](C)CN1C(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000000918192 570534213 /nfs/dbraw/zinc/53/42/13/570534213.db2.gz XSNOFYJMPPDSQK-NWDGAFQWSA-N 0 0 392.381 4.269 40 0 GIABRN COc1ccc2nc(-c3ccc(NC(=O)CN4CCCCC4)cc3)sc2c1 ZINC000001083933 570537189 /nfs/dbraw/zinc/53/71/89/570537189.db2.gz DRZKPLJFBNKIRZ-UHFFFAOYSA-N 0 0 381.501 4.396 40 0 GIABRN COc1cc2cc(C)c(SCC(=O)Nc3ccccc3F)nc2cc1OC ZINC000000928269 570538726 /nfs/dbraw/zinc/53/87/26/570538726.db2.gz VXJFMEUFOOYDOE-UHFFFAOYSA-N 0 0 386.448 4.430 40 0 GIABRN COc1cc2cc(C)c(SCC(=O)N3CCc4ccccc43)nc2cc1OC ZINC000000928271 570538932 /nfs/dbraw/zinc/53/89/32/570538932.db2.gz FIDRCASOAHFVMV-UHFFFAOYSA-N 0 0 394.496 4.242 40 0 GIABRN COc1ccc(C)cc1NC(=O)CSc1nc2cc3c(cc2cc1C)OCO3 ZINC000000930034 570540346 /nfs/dbraw/zinc/54/03/46/570540346.db2.gz BWFGXNZYASGZPE-UHFFFAOYSA-N 0 0 396.468 4.320 40 0 GIABRN Cc1cc(C)c2[nH]c(=O)c(CN(C(=S)NCC(C)C)C3CCCC3)cc2c1 ZINC000000931500 570540760 /nfs/dbraw/zinc/54/07/60/570540760.db2.gz JVDNQGRHWRHCQL-UHFFFAOYSA-N 0 0 385.577 4.420 40 0 GIABRN Cc1ccc2cc(CN(Cc3ccco3)C(=S)NCC(C)C)c(=O)[nH]c2c1C ZINC000000931846 570541151 /nfs/dbraw/zinc/54/11/51/570541151.db2.gz VBCFPRGJHYOGRU-UHFFFAOYSA-N 0 0 397.544 4.271 40 0 GIABRN COC(=O)c1ccc(NC(=O)CSc2nc3ccc(C)cc3cc2C)cc1 ZINC000000932920 570542461 /nfs/dbraw/zinc/54/24/61/570542461.db2.gz GZEXWWXWQZNDAE-UHFFFAOYSA-N 0 0 380.469 4.369 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1cccc(C)c1 ZINC000225200077 570555095 /nfs/dbraw/zinc/55/50/95/570555095.db2.gz DUAVFUYOPMXLFH-GOSISDBHSA-N 0 0 384.495 4.010 40 0 GIABRN Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1N1CCCC1=O ZINC000225207909 570556200 /nfs/dbraw/zinc/55/62/00/570556200.db2.gz BZWQPUFLLISCMM-KRWDZBQOSA-N 0 0 392.499 4.407 40 0 GIABRN CCOC(=O)c1cccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1C ZINC000225288768 570562241 /nfs/dbraw/zinc/56/22/41/570562241.db2.gz JTQMHYLYNQGXLW-UHFFFAOYSA-N 0 0 391.471 4.286 40 0 GIABRN Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C)COc3ccc(C)cc3)cc2)n1 ZINC000225291966 570562615 /nfs/dbraw/zinc/56/26/15/570562615.db2.gz KBDQZSIXPVLDPM-GOSISDBHSA-N 0 0 377.488 4.054 40 0 GIABRN Cc1ccc(C(=O)N(CC(=O)NC2CCCC2)c2ccc(Cl)cc2)s1 ZINC000001330229 570568004 /nfs/dbraw/zinc/56/80/04/570568004.db2.gz QBHYFZFNXVAMEW-UHFFFAOYSA-N 0 0 376.909 4.416 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3F)cc2C)cc1 ZINC000010333637 570569330 /nfs/dbraw/zinc/56/93/30/570569330.db2.gz HBNLTKSXVYHLQG-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN O=C(CSc1nc(Cc2ccccc2)nc2ccccc21)NC1CCCC1 ZINC000001342592 570570987 /nfs/dbraw/zinc/57/09/87/570570987.db2.gz UMROEFOQXBKQNR-UHFFFAOYSA-N 0 0 377.513 4.372 40 0 GIABRN CCN(C(=O)CSc1nnc(-c2ccccc2Cl)o1)c1nc(C)cs1 ZINC000001350557 570573048 /nfs/dbraw/zinc/57/30/48/570573048.db2.gz XNVTXOVFGCEELS-UHFFFAOYSA-N 0 0 394.909 4.300 40 0 GIABRN Cc1ccc2cc(CN(Cc3ccc(F)cc3)C(=O)c3ccco3)c(=O)[nH]c2c1 ZINC000001358621 570575301 /nfs/dbraw/zinc/57/53/01/570575301.db2.gz BOBIXKFHPKKBLN-UHFFFAOYSA-N 0 0 390.414 4.411 40 0 GIABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)C(F)(F)F)cc2c1 ZINC000001359612 570575622 /nfs/dbraw/zinc/57/56/22/570575622.db2.gz AEQLSHIDCDELKS-UHFFFAOYSA-N 0 0 388.389 4.236 40 0 GIABRN CSc1ccc(NC(=O)N2CCC(c3nc(-c4ccncc4)no3)CC2)cc1 ZINC000001359355 570575719 /nfs/dbraw/zinc/57/57/19/570575719.db2.gz UADBZYVCZHNGRL-UHFFFAOYSA-N 0 0 395.488 4.265 40 0 GIABRN COc1ccc(-c2noc([C@@H]3CCCN(C(=O)Nc4cccc(F)c4)C3)n2)cc1 ZINC000001362888 570577191 /nfs/dbraw/zinc/57/71/91/570577191.db2.gz LHAYUVGROSEIGY-OAHLLOKOSA-N 0 0 396.422 4.296 40 0 GIABRN Cc1ccc(C(=O)CSc2nnc(-c3ccco3)n2C[C@H]2CCCO2)cc1 ZINC000001364292 570578105 /nfs/dbraw/zinc/57/81/05/570578105.db2.gz KVAIAMNZCWLCRB-MRXNPFEDSA-N 0 0 383.473 4.001 40 0 GIABRN COc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2(C)c2ccccc21 ZINC000003190443 570596040 /nfs/dbraw/zinc/59/60/40/570596040.db2.gz AIRPQIWHBMIGBH-ZQFKLAOWSA-N 0 0 395.458 4.266 40 0 GIABRN Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 ZINC000225643225 570597832 /nfs/dbraw/zinc/59/78/32/570597832.db2.gz LTELCAZONIEMQS-KRWDZBQOSA-N 0 0 397.544 4.184 40 0 GIABRN Cc1cccc(C)c1N1C(=O)[C@@H]2[C@H](c3ccccc3)N(c3ccccc3)O[C@@H]2C1=O ZINC000101026375 570603361 /nfs/dbraw/zinc/60/33/61/570603361.db2.gz SYBDVGVMJKJPBQ-PUHATCMVSA-N 0 0 398.462 4.355 40 0 GIABRN CCCCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccncc1 ZINC000004169771 570621431 /nfs/dbraw/zinc/62/14/31/570621431.db2.gz IXEVSIKZYQBMJQ-UHFFFAOYSA-N 0 0 382.489 4.124 40 0 GIABRN CCCn1ccc(=Nc2ccc(OC)cc2)c(C(=O)Nc2ccc(OC)cc2)c1 ZINC000584906157 570628967 /nfs/dbraw/zinc/62/89/67/570628967.db2.gz PDKJZGVBYBYMOU-UHFFFAOYSA-N 0 0 391.471 4.400 40 0 GIABRN CCCCNC(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000004539076 570629778 /nfs/dbraw/zinc/62/97/78/570629778.db2.gz WMDBAXSIDRCBOP-UHFFFAOYSA-N 0 0 388.393 4.044 40 0 GIABRN CCCCCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)COc2ccccc2C)N1 ZINC000004565440 570630350 /nfs/dbraw/zinc/63/03/50/570630350.db2.gz OOZCZCWPOOAEQW-GOSISDBHSA-N 0 0 386.414 4.183 40 0 GIABRN Cc1ccccc1-n1c(C)nc2cc(NCC(=O)c3ccccc3)ccc2c1=O ZINC000001718146 570631330 /nfs/dbraw/zinc/63/13/30/570631330.db2.gz LJRASRSYADHMBM-UHFFFAOYSA-N 0 0 383.451 4.297 40 0 GIABRN COc1cc2cc3c(N)c(C(=O)NCc4cccs4)sc3nc2cc1OC ZINC000004848869 570635223 /nfs/dbraw/zinc/63/52/23/570635223.db2.gz WJBPCDGMZJGRGJ-UHFFFAOYSA-N 0 0 399.497 4.040 40 0 GIABRN CCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1OC)OCO3 ZINC000004849557 570635966 /nfs/dbraw/zinc/63/59/66/570635966.db2.gz UHKPCGPEDHAVAU-UHFFFAOYSA-N 0 0 396.468 4.265 40 0 GIABRN CCn1c(SCc2ccc(C)cc2)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000033534992 570645652 /nfs/dbraw/zinc/64/56/52/570645652.db2.gz GEAUNAMSKJRFNB-INIZCTEOSA-N 0 0 380.517 4.390 40 0 GIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NC(=O)CCn2nc(C)c(C)c2C)cc1 ZINC000012366629 570647227 /nfs/dbraw/zinc/64/72/27/570647227.db2.gz CTZQISWRVNXGSI-KJBBBAAKSA-N 0 0 395.547 4.296 40 0 GIABRN CCSc1nnc(CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)n1C ZINC000005001724 570651836 /nfs/dbraw/zinc/65/18/36/570651836.db2.gz QOHMDXOLFRYUAQ-UHFFFAOYSA-N 0 0 392.956 4.099 40 0 GIABRN Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccccc3C(F)(F)F)CC2=O)c1 ZINC000059227251 570652104 /nfs/dbraw/zinc/65/21/04/570652104.db2.gz BXSMMQUJNGRBGI-AWEZNQCLSA-N 0 0 376.378 4.314 40 0 GIABRN O=C(NCc1ccccc1Cl)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000005003474 570652548 /nfs/dbraw/zinc/65/25/48/570652548.db2.gz WSCMMJDKBWCVDZ-UYRXBGFRSA-N 0 0 380.831 4.020 40 0 GIABRN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1nccs1 ZINC000059271814 570652960 /nfs/dbraw/zinc/65/29/60/570652960.db2.gz KGBOJMYYGVNJKJ-UHFFFAOYSA-N 0 0 387.273 4.231 40 0 GIABRN COc1ccc(NC(=S)N2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)cc1 ZINC000005988492 570666472 /nfs/dbraw/zinc/66/64/72/570666472.db2.gz SRASRZNSYKICLD-OAHLLOKOSA-N 0 0 380.517 4.456 40 0 GIABRN CCc1nc2sc3c(c2c(NCCNC(=O)C2CCCCC2)n1)CCCC3 ZINC000005985358 570666497 /nfs/dbraw/zinc/66/64/97/570666497.db2.gz PDVCRMBKTBOWEB-UHFFFAOYSA-N 0 0 386.565 4.241 40 0 GIABRN Cc1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000013714128 570671073 /nfs/dbraw/zinc/67/10/73/570671073.db2.gz PCNQEOOTUOHJID-FSSWDIPSSA-N 0 0 384.435 4.046 40 0 GIABRN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc3c(c1)OCO3)S[C@H](C)C(=O)N2 ZINC000006678947 570673188 /nfs/dbraw/zinc/67/31/88/570673188.db2.gz KNRJRGUBWSQPDO-YJYMSZOUSA-N 0 0 393.468 4.073 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@@H]3c2cccs2)cc1 ZINC000006679334 570673482 /nfs/dbraw/zinc/67/34/82/570673482.db2.gz HRSVYKNZVOISHP-YVEFUNNKSA-N 0 0 385.514 4.414 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@H]3c2cccc(O)c2)cc1 ZINC000006679330 570673505 /nfs/dbraw/zinc/67/35/05/570673505.db2.gz RQUICTHKSDNAPA-DJJJIMSYSA-N 0 0 395.484 4.058 40 0 GIABRN COc1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1OC ZINC000409026609 570694467 /nfs/dbraw/zinc/69/44/67/570694467.db2.gz UKGAOKIJKTXBDL-UHFFFAOYSA-N 0 0 383.872 4.160 40 0 GIABRN CC(C)NC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC[C@H]2C)n1 ZINC000260737610 570700707 /nfs/dbraw/zinc/70/07/07/570700707.db2.gz MDQJSGWEGRVRHV-OAHLLOKOSA-N 0 0 385.537 4.343 40 0 GIABRN CCOc1ccc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc1OC ZINC000260781616 570705934 /nfs/dbraw/zinc/70/59/34/570705934.db2.gz UBCUKUCNNCZUGC-RYGJVYDSSA-N 0 0 383.517 4.468 40 0 GIABRN Cc1nn(-c2ccccc2)c2nc3c(cc12)CN(Cc1cccs1)C(=O)O3 ZINC000012755403 570710155 /nfs/dbraw/zinc/71/01/55/570710155.db2.gz VTWYHNJYUIMXKQ-UHFFFAOYSA-N 0 0 376.441 4.305 40 0 GIABRN O=C(c1cccc2c1OCCO2)N1CCS[C@@H](c2cc(F)ccc2F)CC1 ZINC000219329576 570711131 /nfs/dbraw/zinc/71/11/31/570711131.db2.gz VXPRPGVPAABYDY-GOSISDBHSA-N 0 0 391.439 4.056 40 0 GIABRN COc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1F ZINC000008558322 570717646 /nfs/dbraw/zinc/71/76/46/570717646.db2.gz BHPCTLHYJLOCSS-UHFFFAOYSA-N 0 0 383.750 4.307 40 0 GIABRN Cc1ccc([C@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000102715448 570721072 /nfs/dbraw/zinc/72/10/72/570721072.db2.gz QAVZKQOYKJVIKK-XPWALMASSA-N 0 0 398.462 4.355 40 0 GIABRN CCn1c(SCC(=O)N2CCCC[C@H]2C)nnc1-c1ccc(Cl)cc1 ZINC000003498951 570725578 /nfs/dbraw/zinc/72/55/78/570725578.db2.gz QFZABDOMZWCBEP-CYBMUJFWSA-N 0 0 378.929 4.112 40 0 GIABRN C[C@@]12C(=O)N(c3ccccc3O)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 ZINC000005677118 570735380 /nfs/dbraw/zinc/73/53/80/570735380.db2.gz XTKSKFBQGXFLTL-YQDNHFOKSA-N 0 0 381.431 4.179 40 0 GIABRN C[C@@H](NC(=O)Cn1cc(C=O)c2cc(Br)ccc21)c1ccccc1 ZINC000006043844 570737625 /nfs/dbraw/zinc/73/76/25/570737625.db2.gz AIPLIAMPXVYGBP-CYBMUJFWSA-N 0 0 385.261 4.094 40 0 GIABRN Cc1ccc(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)cc1C ZINC000006613861 570747632 /nfs/dbraw/zinc/74/76/32/570747632.db2.gz QIJSSEYSMJVDFH-UHFFFAOYSA-N 0 0 385.261 4.472 40 0 GIABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(OC)cc2)cc1 ZINC000006630402 570748038 /nfs/dbraw/zinc/74/80/38/570748038.db2.gz QGYYJLOVQOOKCH-UHFFFAOYSA-N 0 0 390.439 4.114 40 0 GIABRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc(C)cc(C)c3)cc2)CC1 ZINC000006592628 570748970 /nfs/dbraw/zinc/74/89/70/570748970.db2.gz CZSYSJOXXDOUGK-UHFFFAOYSA-N 0 0 379.504 4.004 40 0 GIABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000006709360 570749820 /nfs/dbraw/zinc/74/98/20/570749820.db2.gz PWFONHNUXKGMOZ-UHFFFAOYSA-N 0 0 399.516 4.197 40 0 GIABRN Cc1cc2nc([C@H]3CCCN(C(=O)CC4CCCC4)C3)cc(C(F)(F)F)n2n1 ZINC000013226815 570750631 /nfs/dbraw/zinc/75/06/31/570750631.db2.gz IZUPIQUFYVUXLW-HNNXBMFYSA-N 0 0 394.441 4.343 40 0 GIABRN CC[C@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000007079950 570756497 /nfs/dbraw/zinc/75/64/97/570756497.db2.gz FWEFNUCTUQYSBZ-ZDUSSCGKSA-N 0 0 386.517 4.257 40 0 GIABRN CCCCn1nnnc1NCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000007262135 570757308 /nfs/dbraw/zinc/75/73/08/570757308.db2.gz GHHMVBLNPCWLMM-UHFFFAOYSA-N 0 0 389.862 4.457 40 0 GIABRN CCc1c(C)nn(-c2nc3ccccc3[nH]2)c1OC(=O)c1ccc(Cl)cc1 ZINC000013611055 570762607 /nfs/dbraw/zinc/76/26/07/570762607.db2.gz GOMPOEPCBKVZQN-UHFFFAOYSA-N 0 0 380.835 4.492 40 0 GIABRN CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(Br)cc2)CC1=O ZINC000007881949 570762902 /nfs/dbraw/zinc/76/29/02/570762902.db2.gz DWFDBLBWEYCSNE-CQSZACIVSA-N 0 0 387.277 4.003 40 0 GIABRN Cc1cccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1C ZINC000008040966 570763663 /nfs/dbraw/zinc/76/36/63/570763663.db2.gz KALYHLRVARUFCU-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN CCc1ccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000008051034 570764160 /nfs/dbraw/zinc/76/41/60/570764160.db2.gz OOYQRFBQEXSPRW-UHFFFAOYSA-N 0 0 394.924 4.087 40 0 GIABRN CCOc1cccc(C(=O)Nc2cccc(-c3nn4c(CC)nnc4s3)c2)c1 ZINC000008071531 570764541 /nfs/dbraw/zinc/76/45/41/570764541.db2.gz KAJRYRAFTBCVIV-UHFFFAOYSA-N 0 0 393.472 4.066 40 0 GIABRN CCc1ccc(OCC(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1 ZINC000008086965 570764952 /nfs/dbraw/zinc/76/49/52/570764952.db2.gz AADQRKLYASCYPL-UHFFFAOYSA-N 0 0 377.488 4.208 40 0 GIABRN COc1cccc(C(=O)Nc2cc(C)c(I)cc2C)c1 ZINC000008333955 570767709 /nfs/dbraw/zinc/76/77/09/570767709.db2.gz GYXGSFQCPGFCOF-UHFFFAOYSA-N 0 0 381.213 4.169 40 0 GIABRN CCc1n[nH]c(=S)n1NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000008339271 570768197 /nfs/dbraw/zinc/76/81/97/570768197.db2.gz SGSDGMSUEMVPEH-UHFFFAOYSA-N 0 0 379.283 4.269 40 0 GIABRN Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000008371553 570768655 /nfs/dbraw/zinc/76/86/55/570768655.db2.gz JPARDDFZJFCWHB-MHWRWJLKSA-N 0 0 386.860 4.323 40 0 GIABRN O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000008471853 570768879 /nfs/dbraw/zinc/76/88/79/570768879.db2.gz YGOIUFFXXOIHCB-OAHLLOKOSA-N 0 0 393.270 4.155 40 0 GIABRN Cc1nnc(SCC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)s1 ZINC000008504961 570769446 /nfs/dbraw/zinc/76/94/46/570769446.db2.gz QUMQZVRRNUTJOO-UHFFFAOYSA-N 0 0 398.513 4.138 40 0 GIABRN COc1cc(CNS(=O)(=O)c2ccc3ccccc3c2)ccc1OC(C)C ZINC000013671604 570770783 /nfs/dbraw/zinc/77/07/83/570770783.db2.gz WSWLLZMBYPKSSC-UHFFFAOYSA-N 0 0 385.485 4.114 40 0 GIABRN C[C@@H]1CCCN(C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)C1 ZINC000013672484 570770859 /nfs/dbraw/zinc/77/08/59/570770859.db2.gz YSPPMNMYRIVHOW-HXOBKFHXSA-N 0 0 394.540 4.333 40 0 GIABRN CCCCc1nnc(SCCCOc2ccc(C=O)cc2OCC)n1CC ZINC000008731779 570772085 /nfs/dbraw/zinc/77/20/85/570772085.db2.gz QFYKWJBDSVQGBR-UHFFFAOYSA-N 0 0 391.537 4.413 40 0 GIABRN CCC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 ZINC000008810135 570772628 /nfs/dbraw/zinc/77/26/28/570772628.db2.gz JQUSFXGFKADHOY-GFCCVEGCSA-N 0 0 398.887 4.198 40 0 GIABRN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 ZINC000013685715 570774271 /nfs/dbraw/zinc/77/42/71/570774271.db2.gz WWHIEMBNNSRAAM-QGZVFWFLSA-N 0 0 392.455 4.232 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc(Cl)c1 ZINC000009903418 570777067 /nfs/dbraw/zinc/77/70/67/570777067.db2.gz PVIWYUKMQFYTLH-UHFFFAOYSA-N 0 0 386.860 4.393 40 0 GIABRN COC(=O)c1c2c(sc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C)CCCC2 ZINC000013710642 570777452 /nfs/dbraw/zinc/77/74/52/570777452.db2.gz TVILXSDOWGRKEE-CQSZACIVSA-N 0 0 387.501 4.436 40 0 GIABRN C=COCCSc1nc2ccccc2c2nc(-c3ccccc3OC)nn21 ZINC000009939932 570777957 /nfs/dbraw/zinc/77/79/57/570777957.db2.gz UDYNUABICWHLRR-UHFFFAOYSA-N 0 0 378.457 4.205 40 0 GIABRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc2c(c1)OCCO2 ZINC000010120074 570782916 /nfs/dbraw/zinc/78/29/16/570782916.db2.gz SXNZRUSCDHRCPQ-UHFFFAOYSA-N 0 0 386.407 4.442 40 0 GIABRN COc1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)c(OC)c1OC ZINC000010127855 570783138 /nfs/dbraw/zinc/78/31/38/570783138.db2.gz MBQDPMHCBBDPEA-PKNBQFBNSA-N 0 0 381.350 4.383 40 0 GIABRN Cc1cc(C(=O)N(C)Cc2ccccc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000010314269 570787289 /nfs/dbraw/zinc/78/72/89/570787289.db2.gz ATVQWLUGVYMABJ-UHFFFAOYSA-N 0 0 394.496 4.068 40 0 GIABRN Cc1cc(C)c2nc(Nc3nc(C)c(Cc4ccccc4)c(=O)[nH]3)nc(C)c2c1 ZINC000010325343 570789278 /nfs/dbraw/zinc/78/92/78/570789278.db2.gz FKAUJHLHKBHFFV-UHFFFAOYSA-N 0 0 385.471 4.281 40 0 GIABRN Cc1ccc(CCC(=O)Nc2ccc(I)cc2C)cc1 ZINC000010338782 570789294 /nfs/dbraw/zinc/78/92/94/570789294.db2.gz HGZIYRHZHONMGW-UHFFFAOYSA-N 0 0 379.241 4.479 40 0 GIABRN Cc1cccc(Cn2c3ccccc3c(=O)n(-c3cccc(Cl)c3)c2=O)c1 ZINC000010338787 570789305 /nfs/dbraw/zinc/78/93/05/570789305.db2.gz KEARTZBNLZKCJJ-UHFFFAOYSA-N 0 0 376.843 4.163 40 0 GIABRN Cc1ccc(C)c([C@H](C)NS(=O)(=O)Cc2ccc(Br)cc2)c1 ZINC000010543953 570791963 /nfs/dbraw/zinc/79/19/63/570791963.db2.gz FZFSMPYJNPHLSD-AWEZNQCLSA-N 0 0 382.323 4.247 40 0 GIABRN COc1ccccc1[C@H](C)NC(=O)COc1ccc(Cl)cc1Br ZINC000014316219 570841908 /nfs/dbraw/zinc/84/19/08/570841908.db2.gz KBCVRDRNMMALNY-NSHDSACASA-N 0 0 398.684 4.367 40 0 GIABRN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000014024297 570876555 /nfs/dbraw/zinc/87/65/55/570876555.db2.gz ZIPNQYIKZLTHAH-HXUWFJFHSA-N 0 0 378.428 4.006 40 0 GIABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3cc(C)ccc3C)n2C)c1 ZINC000014122061 570876934 /nfs/dbraw/zinc/87/69/34/570876934.db2.gz GXIRVPPHELFOTO-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2nccs2)n1 ZINC000014152820 570877885 /nfs/dbraw/zinc/87/78/85/570877885.db2.gz FSYGUDSMQDKUFH-UHFFFAOYSA-N 0 0 376.894 4.293 40 0 GIABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000014397762 570883153 /nfs/dbraw/zinc/88/31/53/570883153.db2.gz ZKBXESPTYQOLFY-KRWDZBQOSA-N 0 0 379.504 4.458 40 0 GIABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000014397654 570883218 /nfs/dbraw/zinc/88/32/18/570883218.db2.gz KWCWILIWKZMHSJ-LJQANCHMSA-N 0 0 384.476 4.020 40 0 GIABRN CCCOc1c(Cl)cc(C(=O)Nc2ccc(OC)cc2OC)cc1OC ZINC000015654268 570885668 /nfs/dbraw/zinc/88/56/68/570885668.db2.gz GMFFFPUNEUNUBJ-UHFFFAOYSA-N 0 0 379.840 4.407 40 0 GIABRN CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCCC2)CC1 ZINC000257220773 570890099 /nfs/dbraw/zinc/89/00/99/570890099.db2.gz DMBRYQRGCICZOI-TXTKFYIRSA-N 0 0 385.552 4.152 40 0 GIABRN Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000015352474 570892420 /nfs/dbraw/zinc/89/24/20/570892420.db2.gz BCRNSFFXRUOXHN-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN Cc1noc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)N[C@@H]3CCCC[C@@H]3C)c12 ZINC000036618348 570892775 /nfs/dbraw/zinc/89/27/75/570892775.db2.gz RSGJQYWYBOTDGA-BLLLJJGKSA-N 0 0 393.443 4.235 40 0 GIABRN CC[C@H](C)n1c2nc(-c3cnn(C)c3C)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000036617096 570892812 /nfs/dbraw/zinc/89/28/12/570892812.db2.gz AZQJVMMMSSFTGC-QMMMGPOBSA-N 0 0 397.426 4.153 40 0 GIABRN Cc1nn2c(nnc3c2C[C@@H](c2cccs2)CC3=O)c1-c1ccc(F)cc1 ZINC000014607731 570893614 /nfs/dbraw/zinc/89/36/14/570893614.db2.gz YDWLNAMUSSRKIT-CYBMUJFWSA-N 0 0 378.432 4.213 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1 ZINC000015438752 570894063 /nfs/dbraw/zinc/89/40/63/570894063.db2.gz PEUPSBWEWPJCLS-UHFFFAOYSA-N 0 0 386.860 4.393 40 0 GIABRN COc1cc(CN=Nc2ccccn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000136368907 570905479 /nfs/dbraw/zinc/90/54/79/570905479.db2.gz IHKCWUVVZIESSW-XKZIYDEJSA-N 0 0 378.388 4.023 40 0 GIABRN Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C3CCCC3)CC2)n1 ZINC000257323273 570907756 /nfs/dbraw/zinc/90/77/56/570907756.db2.gz WJLPDSHKYXPTKX-UAPYVXQJSA-N 0 0 378.520 4.427 40 0 GIABRN Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)CCc4ccccc4)CC3)n2n1 ZINC000257320076 570907837 /nfs/dbraw/zinc/90/78/37/570907837.db2.gz VVGVIQLDMJLSLU-MXVIHJGJSA-N 0 0 376.504 4.061 40 0 GIABRN O=C(CCc1ccccc1)NC[C@H]1CC[C@H](c2nnc(-c3cccnc3)o2)CC1 ZINC000257334416 570909084 /nfs/dbraw/zinc/90/90/84/570909084.db2.gz YFUHEOOIGJDURP-WGSAOQKQSA-N 0 0 390.487 4.154 40 0 GIABRN CCC(=O)n1cnc2c1SC(c1ccc(C(C)(C)C)cc1)=NN2C(=O)CC ZINC000016777723 570910156 /nfs/dbraw/zinc/91/01/56/570910156.db2.gz HRGKOQPFOBVFER-UHFFFAOYSA-N 0 0 384.505 4.441 40 0 GIABRN COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1cc(C)ccc1C ZINC000016087818 570910197 /nfs/dbraw/zinc/91/01/97/570910197.db2.gz KBMGNHYDCPWBAP-CYBMUJFWSA-N 0 0 398.322 4.114 40 0 GIABRN O=C(NCCCc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000042646438 570914576 /nfs/dbraw/zinc/91/45/76/570914576.db2.gz HYTCZHNIUWCURM-UHFFFAOYSA-N 0 0 384.785 4.046 40 0 GIABRN CCCC(=O)Nc1nc2ccc(NC(=O)COc3cccc(C)c3)cc2s1 ZINC000017078310 570917226 /nfs/dbraw/zinc/91/72/26/570917226.db2.gz ZUEGRZVPEGIQEA-UHFFFAOYSA-N 0 0 383.473 4.361 40 0 GIABRN CCCCCC(=O)NC(=S)Nc1ccc2nc(NC(=O)CCC)sc2c1 ZINC000017080272 570918492 /nfs/dbraw/zinc/91/84/92/570918492.db2.gz OUTDEAZXHSIPCU-UHFFFAOYSA-N 0 0 392.550 4.428 40 0 GIABRN Cc1ccc(C(=O)NC[C@@H]2CCC[C@H](CNC(=O)c3ccc(C)cc3)C2)cc1 ZINC000016291997 570921069 /nfs/dbraw/zinc/92/10/69/570921069.db2.gz CVOMZMRLIXSBKE-BGYRXZFFSA-N 0 0 378.516 4.270 40 0 GIABRN CC[C@@H](NC(=O)c1ccc(I)cc1)c1ccc(OC)cc1 ZINC000018131722 570922696 /nfs/dbraw/zinc/92/26/96/570922696.db2.gz CQIYMRMOURAHES-MRXNPFEDSA-N 0 0 395.240 4.181 40 0 GIABRN Cc1ccc(C(=O)N2CCC[C@]3(CCCN3c3ncnc4ccccc43)CC2)o1 ZINC000585100755 570926262 /nfs/dbraw/zinc/92/62/62/570926262.db2.gz VOSOUSYHXKNBRU-QHCPKHFHSA-N 0 0 390.487 4.197 40 0 GIABRN Cc1cc(C)cc(C(=O)N2CCC3(CC2)c2ccccc2N(C(C)C)C3=O)c1 ZINC000585103785 570929257 /nfs/dbraw/zinc/92/92/57/570929257.db2.gz JTBMBVNAJOMWLQ-UHFFFAOYSA-N 0 0 376.500 4.232 40 0 GIABRN CN(C)c1ccc(-c2ncn3c2[C@H](NC(=O)c2cccc(F)c2)CCC3)cc1 ZINC000585110691 570944032 /nfs/dbraw/zinc/94/40/32/570944032.db2.gz SDYQULGXOJSVCS-LJQANCHMSA-N 0 0 378.451 4.020 40 0 GIABRN COc1ccc(NC(=O)CSCc2ccccc2Br)cc1OC ZINC000020238199 570944945 /nfs/dbraw/zinc/94/49/45/570944945.db2.gz DWTJMKJCMKDRLB-UHFFFAOYSA-N 0 0 396.306 4.338 40 0 GIABRN O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000018177494 570951098 /nfs/dbraw/zinc/95/10/98/570951098.db2.gz VNDUOIHLXRKNGB-UHFFFAOYSA-N 0 0 392.286 4.420 40 0 GIABRN CC(=O)N(C)C1CCC2(CC1)CN(C(=O)CC1CCCC1)Cc1ccccc1O2 ZINC000019016317 570954157 /nfs/dbraw/zinc/95/41/57/570954157.db2.gz QKXWZMIQEMMYQN-UHFFFAOYSA-N 0 0 398.547 4.148 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1ccccc1 ZINC000019017515 570954582 /nfs/dbraw/zinc/95/45/82/570954582.db2.gz VIMLSIVCGNYMHA-ZRBLBEILSA-N 0 0 376.500 4.086 40 0 GIABRN CC(=O)N[C@H](c1ccccn1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000019020488 570955166 /nfs/dbraw/zinc/95/51/66/570955166.db2.gz QTNJZGDTSIYJMT-FQEVSTJZSA-N 0 0 392.330 4.478 40 0 GIABRN CN(C[C@H]1OCCc2ccccc21)C(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 ZINC000019082393 570956100 /nfs/dbraw/zinc/95/61/00/570956100.db2.gz HOZNFZOBLYWVEC-OXQOHEQNSA-N 0 0 382.504 4.212 40 0 GIABRN COc1cc(CN2CCCC[C@H]2c2[nH]ncc2-c2cc(C)no2)cc(OC)c1 ZINC000019120893 570956899 /nfs/dbraw/zinc/95/68/99/570956899.db2.gz LJVHYQDSDOYAAZ-IBGZPJMESA-N 0 0 382.464 4.118 40 0 GIABRN Cc1cc(C(F)F)nn1[C@@H](C)C(=O)N[C@@H](Cc1ccsc1)c1ccccn1 ZINC000019119064 570957033 /nfs/dbraw/zinc/95/70/33/570957033.db2.gz VJGJCCOWPDLXGT-BBRMVZONSA-N 0 0 390.459 4.247 40 0 GIABRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2cccs2)C1=O ZINC000229946709 570962179 /nfs/dbraw/zinc/96/21/79/570962179.db2.gz FPTHJVUXGIMEGX-RIYZIHGNSA-N 0 0 392.889 4.385 40 0 GIABRN COc1ccc(CC(=O)NCc2nnc(-c3ccc(C)s3)o2)c2ccccc12 ZINC000019217903 570962389 /nfs/dbraw/zinc/96/23/89/570962389.db2.gz OVSFLTPUPKZEAH-UHFFFAOYSA-N 0 0 393.468 4.127 40 0 GIABRN COc1ccc(C2(C(=O)NCc3nnc(-c4ccc(C)s4)o3)CCCC2)cc1 ZINC000019217887 570962401 /nfs/dbraw/zinc/96/24/01/570962401.db2.gz NYWUGGKXBULVSV-UHFFFAOYSA-N 0 0 397.500 4.243 40 0 GIABRN Cc1cnc2cc(C3CCN(C(=O)CCc4ccc(Cl)cc4)CC3)[nH]c2n1 ZINC000019239363 570968655 /nfs/dbraw/zinc/96/86/55/570968655.db2.gz YZRXWYGLSWTSMH-UHFFFAOYSA-N 0 0 382.895 4.259 40 0 GIABRN Cc1nc(-c2ccc(NC(=O)c3ccc(CN4CCOCC4)cc3)cc2)cs1 ZINC000019285628 570969559 /nfs/dbraw/zinc/96/95/59/570969559.db2.gz TYEACQYVBIFVRT-UHFFFAOYSA-N 0 0 393.512 4.203 40 0 GIABRN COc1ccccc1CNc1ncc(-c2ccc(F)cc2)c(-c2nccn2C)n1 ZINC000019291716 570972133 /nfs/dbraw/zinc/97/21/33/570972133.db2.gz PYIHPRBNVGNHBV-UHFFFAOYSA-N 0 0 389.434 4.304 40 0 GIABRN O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 ZINC000019331818 570975555 /nfs/dbraw/zinc/97/55/55/570975555.db2.gz SXCKMNGSTPYTGS-CYBMUJFWSA-N 0 0 396.447 4.438 40 0 GIABRN O=C(c1cc2c(cccc2F)[nH]1)N1CCC[C@H]1c1nnc(-c2ccsc2)o1 ZINC000019345275 570977688 /nfs/dbraw/zinc/97/76/88/570977688.db2.gz AOTPZPWUSWTHLU-INIZCTEOSA-N 0 0 382.420 4.396 40 0 GIABRN O=C(N[C@@H](CCc1ccccc1)c1ccc2c(c1)OCCO2)[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000019370982 570980671 /nfs/dbraw/zinc/98/06/71/570980671.db2.gz RWBIISKQZWQBNJ-KIZRIRGWSA-N 0 0 389.495 4.460 40 0 GIABRN O=C(NC1CCC2(CC1)CC(=O)c1ccccc1O2)c1ccc2ncccc2c1 ZINC000019374554 570981580 /nfs/dbraw/zinc/98/15/80/570981580.db2.gz JNIGBBPMVSFXIX-UHFFFAOYSA-N 0 0 386.451 4.311 40 0 GIABRN CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)CC(C)C)C1 ZINC000019446305 570983722 /nfs/dbraw/zinc/98/37/22/570983722.db2.gz FTLMFDCLQBXSSX-QHCPKHFHSA-N 0 0 398.572 4.359 40 0 GIABRN CC(C)OCCCNc1ncc(-c2ccc(Cl)cc2)c(-c2nccn2C)n1 ZINC000019450419 570985167 /nfs/dbraw/zinc/98/51/67/570985167.db2.gz KHSPMGNDPFLEDG-UHFFFAOYSA-N 0 0 385.899 4.425 40 0 GIABRN COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@@H](C)Cn2cnc3ccccc32)c1 ZINC000019457710 570987509 /nfs/dbraw/zinc/98/75/09/570987509.db2.gz FUTNVMGBVUQSFZ-OXJNMPFZSA-N 0 0 393.487 4.053 40 0 GIABRN C[C@H](NC(=O)[C@H](c1ccccc1)C1CCCCC1)c1nnc(-c2ccncc2)[nH]1 ZINC000019458026 570987886 /nfs/dbraw/zinc/98/78/86/570987886.db2.gz WDCBYMXYOZXSBE-OXJNMPFZSA-N 0 0 389.503 4.408 40 0 GIABRN O=C(NCc1ccccc1Cl)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000243733144 570988053 /nfs/dbraw/zinc/98/80/53/570988053.db2.gz PUQZXUDGFAXEBJ-GFCCVEGCSA-N 0 0 397.689 4.316 40 0 GIABRN CCC(=O)N1CC[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)NC(C)C)C1 ZINC000019498417 570990721 /nfs/dbraw/zinc/99/07/21/570990721.db2.gz JXVASKWABJASNP-JOCHJYFZSA-N 0 0 384.545 4.111 40 0 GIABRN CCC(=O)N1CC[C@](Cc2ccccc2-c2cccs2)(C(=O)N(CC)CC)C1 ZINC000019498478 570990949 /nfs/dbraw/zinc/99/09/49/570990949.db2.gz YPVNNZMSMJYUIK-HSZRJFAPSA-N 0 0 398.572 4.455 40 0 GIABRN CCC(CC)C(=O)N1CC[C@@](Cc2ccc(-c3ccsc3)cc2)(C(N)=O)C1 ZINC000019500057 570992067 /nfs/dbraw/zinc/99/20/67/570992067.db2.gz CQQSNDYEZKQJQE-QFIPXVFZSA-N 0 0 384.545 4.098 40 0 GIABRN CCC(CC)C(=O)N1CCC[C@](Cc2ccccc2-c2ccccc2)(C(N)=O)C1 ZINC000019500129 570992235 /nfs/dbraw/zinc/99/22/35/570992235.db2.gz OQLQTPVEKARSJK-RUZDIDTESA-N 0 0 392.543 4.426 40 0 GIABRN CCCC(=O)N1CCC[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 ZINC000019501201 570992596 /nfs/dbraw/zinc/99/25/96/570992596.db2.gz SXTSGALBCQVLLO-HSZRJFAPSA-N 0 0 398.572 4.455 40 0 GIABRN CCc1ncc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cn1 ZINC000019523453 570995700 /nfs/dbraw/zinc/99/57/00/570995700.db2.gz QMIQYCHNFOJNNX-XMMPIXPASA-N 0 0 389.499 4.204 40 0 GIABRN CCn1c2ccc(NC(=O)c3cc(-c4cnn(C)c4C)on3)cc2nc1C(C)C ZINC000019524256 570996499 /nfs/dbraw/zinc/99/64/99/570996499.db2.gz PWOCIKMUBVIZBA-UHFFFAOYSA-N 0 0 392.463 4.129 40 0 GIABRN CCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C(C)(C)C)C1 ZINC000019528768 570998104 /nfs/dbraw/zinc/99/81/04/570998104.db2.gz OCONYHNIUVYCBJ-RUZDIDTESA-N 0 0 392.543 4.297 40 0 GIABRN CCOc1cc2c(cc1CN[C@@H](Cc1ccsc1)c1nccs1)OCO2 ZINC000019532541 570998994 /nfs/dbraw/zinc/99/89/94/570998994.db2.gz NNZGVOSMDNQDQA-HNNXBMFYSA-N 0 0 388.514 4.406 40 0 GIABRN COc1cc2c(cc1OC)[C@@H](c1ccccc1F)N(CC1=CCCOC1)CC2 ZINC000019550683 571000840 /nfs/dbraw/zinc/00/08/40/571000840.db2.gz VYOLBHVGJYRKLK-HSZRJFAPSA-N 0 0 383.463 4.137 40 0 GIABRN Cc1c(-c2cc(C(=O)Nc3nc4c(s3)C[C@H](C(C)(C)C)CC4)on2)cnn1C ZINC000019554274 571002519 /nfs/dbraw/zinc/00/25/19/571002519.db2.gz KPSBVRUOVMKPEC-GFCCVEGCSA-N 0 0 399.520 4.243 40 0 GIABRN COc1ccc(N(Cc2cccnc2)C(=O)c2ccccc2Cn2ccnc2)cc1 ZINC000019556235 571003508 /nfs/dbraw/zinc/00/35/08/571003508.db2.gz KTYGUDRCSKJOJY-UHFFFAOYSA-N 0 0 398.466 4.182 40 0 GIABRN Cc1noc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)Cc2cccc(F)c2)c1C ZINC000019558166 571004440 /nfs/dbraw/zinc/00/44/40/571004440.db2.gz ZGUIPJOYDOVTOV-IBGZPJMESA-N 0 0 396.466 4.127 40 0 GIABRN COc1cc(C)c(CN2CCc3nc([C@@H]4CCCCN4C)ncc3C2)c(C)c1C ZINC000019566947 571008222 /nfs/dbraw/zinc/00/82/22/571008222.db2.gz BVBVSGRSPOITHB-QFIPXVFZSA-N 0 0 394.563 4.126 40 0 GIABRN COc1ccc(CCN2Cc3cc4cc(C)cc(C)c4nc3OC2=O)cc1OC ZINC000019568333 571009275 /nfs/dbraw/zinc/00/92/75/571009275.db2.gz DFGVNIBARCEWIP-UHFFFAOYSA-N 0 0 392.455 4.426 40 0 GIABRN Cc1cc(C(=O)N2CCC(c3nc(C)c(-c4ccncn4)s3)CC2)cs1 ZINC000019571684 571010286 /nfs/dbraw/zinc/01/02/86/571010286.db2.gz DRRSUEKXDQEMHL-UHFFFAOYSA-N 0 0 384.530 4.298 40 0 GIABRN C[C@@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)c1c(F)cccc1F ZINC000019574259 571011200 /nfs/dbraw/zinc/01/12/00/571011200.db2.gz RCKFSSJVLIPPIC-JTQLQIEISA-N 0 0 383.320 4.152 40 0 GIABRN CN(C)C(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)C2CC2)C1 ZINC000019578732 571012453 /nfs/dbraw/zinc/01/24/53/571012453.db2.gz YIBBHAUTYFFUAP-QHCPKHFHSA-N 0 0 396.556 4.065 40 0 GIABRN CN(Cc1nnc(-c2ccccc2)o1)Cc1ccccc1OCc1ccccn1 ZINC000019586539 571015667 /nfs/dbraw/zinc/01/56/67/571015667.db2.gz BLBPKCPTMBEIBE-UHFFFAOYSA-N 0 0 386.455 4.343 40 0 GIABRN CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)C2CCC2)C1 ZINC000019591032 571018751 /nfs/dbraw/zinc/01/87/51/571018751.db2.gz SJHFAAPXYCFERR-HSZRJFAPSA-N 0 0 396.556 4.113 40 0 GIABRN Cc1nc2c(C)cccn2c1C(=O)N(Cc1ccccc1)Cc1cccc(C)n1 ZINC000019660903 571025881 /nfs/dbraw/zinc/02/58/81/571025881.db2.gz GFZYICKFNVYEIA-UHFFFAOYSA-N 0 0 384.483 4.497 40 0 GIABRN O=C(C1CCCC1)N1CCC([C@@H]2CC=CCN(Cc3ccccc3)C2=O)CC1 ZINC000019695838 571030003 /nfs/dbraw/zinc/03/00/03/571030003.db2.gz ZTHRAUGCQAGKKU-QFIPXVFZSA-N 0 0 380.532 4.020 40 0 GIABRN Cc1nc(CN(C)C2CCCCC2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019696138 571030057 /nfs/dbraw/zinc/03/00/57/571030057.db2.gz CAIITPZYKQTQFN-UHFFFAOYSA-N 0 0 378.520 4.029 40 0 GIABRN C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000019714006 571035515 /nfs/dbraw/zinc/03/55/15/571035515.db2.gz JJYLWSHWISYCKS-CYBMUJFWSA-N 0 0 375.350 4.297 40 0 GIABRN CC(C)c1csc(NC(=O)c2cc3nccc(-c4ccc(F)cc4)n3n2)n1 ZINC000019715619 571037349 /nfs/dbraw/zinc/03/73/49/571037349.db2.gz MUFURIPJUSEZIW-UHFFFAOYSA-N 0 0 381.436 4.368 40 0 GIABRN COc1c(CNc2ccc(CCc3nc4ccccc4n3C)cc2)c(C)nn1C ZINC000019715558 571037432 /nfs/dbraw/zinc/03/74/32/571037432.db2.gz CKVCTKLTOXKZKM-UHFFFAOYSA-N 0 0 389.503 4.021 40 0 GIABRN CC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(-c2cccc(OC)c2)[nH]c1=O ZINC000019717217 571039578 /nfs/dbraw/zinc/03/95/78/571039578.db2.gz PAGDDEREBMIMDU-NRFANRHFSA-N 0 0 394.446 4.413 40 0 GIABRN CC[C@H](NC(=O)c1cc(-n2cccn2)ccc1Cl)c1c(C)nn(CC)c1C ZINC000019717635 571040601 /nfs/dbraw/zinc/04/06/01/571040601.db2.gz RFOKMNAHWLDKHD-SFHVURJKSA-N 0 0 385.899 4.240 40 0 GIABRN O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000019717774 571040633 /nfs/dbraw/zinc/04/06/33/571040633.db2.gz PWAZSTCMQHBGOB-LJQANCHMSA-N 0 0 391.471 4.021 40 0 GIABRN Cn1c2ccccc2nc1[C@H]1CCCN(C(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC000019718430 571041192 /nfs/dbraw/zinc/04/11/92/571041192.db2.gz RCZOPRVMJUCHDD-INIZCTEOSA-N 0 0 379.479 4.396 40 0 GIABRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc4ncn(C)c4c3)c2)n1 ZINC000019718307 571041218 /nfs/dbraw/zinc/04/12/18/571041218.db2.gz BTCWESIFJNQPCE-UHFFFAOYSA-N 0 0 379.851 4.282 40 0 GIABRN COc1ccc(Cl)cc1Nc1cc(-c2ccccn2)nc(NC2CCCC2)n1 ZINC000328955945 571046806 /nfs/dbraw/zinc/04/68/06/571046806.db2.gz AEXCBURKVKLDFP-UHFFFAOYSA-N 0 0 395.894 4.143 40 0 GIABRN FC(F)(F)Oc1ccc2c(c1)CN(c1ccnc(NC3CCCC3)n1)CC2 ZINC000328967508 571047973 /nfs/dbraw/zinc/04/79/73/571047973.db2.gz CTWGEKBMSZOEND-UHFFFAOYSA-N 0 0 378.398 4.292 40 0 GIABRN CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21 ZINC000096052640 571097563 /nfs/dbraw/zinc/09/75/63/571097563.db2.gz HRQKCWDZGTYGEN-SFHVURJKSA-N 0 0 396.556 4.324 40 0 GIABRN Cc1occc1C(=O)N1CCC2(C[C@H](CC(=O)NC(C)C)c3ccccc32)CC1 ZINC000096052637 571097660 /nfs/dbraw/zinc/09/76/60/571097660.db2.gz KDMDSVHWGXGVBY-SFHVURJKSA-N 0 0 394.515 4.164 40 0 GIABRN Cc1ccc(F)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C ZINC000004563434 817531773 /nfs/dbraw/zinc/53/17/73/817531773.db2.gz OHKUZFPCPLASKF-UHFFFAOYSA-N 0 0 390.871 4.314 40 0 GIABRN COc1cc(C(=O)OCC(=O)c2ccccc2)ccc1OCc1ccccc1 ZINC000004549738 817531827 /nfs/dbraw/zinc/53/18/27/817531827.db2.gz IKBWLPDYBZJYBO-UHFFFAOYSA-N 0 0 376.408 4.314 40 0 GIABRN Cc1ccc2[nH]c(SCC(=O)Nc3ccc(C(=O)OC(C)C)cc3)nc2c1 ZINC000005356505 817576347 /nfs/dbraw/zinc/57/63/47/817576347.db2.gz YOXQIIUOYDGRCG-UHFFFAOYSA-N 0 0 383.473 4.167 40 0 GIABRN Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1ccccc1 ZINC000005894318 817629114 /nfs/dbraw/zinc/62/91/14/817629114.db2.gz AOTQWKDJSWXQQD-UDWIEESQSA-N 0 0 399.450 4.046 40 0 GIABRN COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1=Cc1cccc(Cl)c1 ZINC000006348273 817681070 /nfs/dbraw/zinc/68/10/70/817681070.db2.gz QWIQLPSKTJVBTE-ODLFYWEKSA-N 0 0 395.842 4.420 40 0 GIABRN COc1ccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000006478724 817697408 /nfs/dbraw/zinc/69/74/08/817697408.db2.gz LPNZCWCVHXCHER-LICLKQGHSA-N 0 0 384.413 4.148 40 0 GIABRN CCOc1cc(C(=S)N2CCN(c3ccccc3F)CC2)cc(Cl)c1O ZINC000006630742 817713330 /nfs/dbraw/zinc/71/33/30/817713330.db2.gz QTFUVFKSOOPRIG-UHFFFAOYSA-N 0 0 394.899 4.081 40 0 GIABRN CCCN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)C1=O ZINC000006657162 817716336 /nfs/dbraw/zinc/71/63/36/817716336.db2.gz DRBHOEDHJJEOFN-QGOAFFKASA-N 0 0 396.468 4.150 40 0 GIABRN COC(=O)c1ccc2nc(NC(=S)N3CC[C@H](c4ccccc4)C3)sc2c1 ZINC000006735169 817717548 /nfs/dbraw/zinc/71/75/48/817717548.db2.gz OLCUEXHLWATCJX-HNNXBMFYSA-N 0 0 397.525 4.269 40 0 GIABRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O ZINC000007077910 817754767 /nfs/dbraw/zinc/75/47/67/817754767.db2.gz ZRVBMLSPVFNGKF-MFVBVHDHSA-N 0 0 385.441 4.325 40 0 GIABRN Cn1c2ccccc2nc1SCc1ccc(I)cc1 ZINC000007343461 817821318 /nfs/dbraw/zinc/82/13/18/817821318.db2.gz UAOQMXWITJMDQG-UHFFFAOYSA-N 0 0 380.254 4.470 40 0 GIABRN CCOC(=O)Cn1c(C)c(/C=C/C(=O)c2ccc(OC)cc2)c2ccccc21 ZINC000007375625 817827085 /nfs/dbraw/zinc/82/70/85/817827085.db2.gz WHESQRJNOWOPNI-BUHFOSPRSA-N 0 0 377.440 4.418 40 0 GIABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000007495475 817854797 /nfs/dbraw/zinc/85/47/97/817854797.db2.gz HXDJKNXICQKRPH-OAQYLSRUSA-N 0 0 386.923 4.463 40 0 GIABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000007505027 817857084 /nfs/dbraw/zinc/85/70/84/817857084.db2.gz VSJKLHUSVQRWPT-QGZVFWFLSA-N 0 0 384.495 4.239 40 0 GIABRN CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)o2)c1 ZINC000007605028 817878304 /nfs/dbraw/zinc/87/83/04/817878304.db2.gz AWWPWMOWFPVFAF-UHFFFAOYSA-N 0 0 396.472 4.043 40 0 GIABRN C[C@H](NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)c1ccccc1 ZINC000007881997 817949426 /nfs/dbraw/zinc/94/94/26/817949426.db2.gz VCNIUNDWEIFCFB-JSGCOSHPSA-N 0 0 377.271 4.224 40 0 GIABRN Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c(C)cc1Br ZINC000007881842 817949545 /nfs/dbraw/zinc/94/95/45/817949545.db2.gz LETWZATYVYNXMS-AWEZNQCLSA-N 0 0 387.277 4.058 40 0 GIABRN CCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000007881837 817949605 /nfs/dbraw/zinc/94/96/05/817949605.db2.gz NSJRLGNQHKZULB-CQSZACIVSA-N 0 0 387.277 4.003 40 0 GIABRN Cc1cccc(N2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)c1C ZINC000007882420 817949987 /nfs/dbraw/zinc/94/99/87/817949987.db2.gz FOEMVQPNSHVPJQ-AWEZNQCLSA-N 0 0 376.378 4.314 40 0 GIABRN COc1ccc(N2C[C@H](C(=O)Oc3ccccc3-c3ccccc3)CC2=O)cc1 ZINC000007928995 817962385 /nfs/dbraw/zinc/96/23/85/817962385.db2.gz IYWAARBDOQKHMT-GOSISDBHSA-N 0 0 387.435 4.321 40 0 GIABRN COc1cccc(-c2nnc(SC(=O)c3ccc(Br)cc3)o2)c1 ZINC000007939594 817965393 /nfs/dbraw/zinc/96/53/93/817965393.db2.gz USENSFNYLJBRIJ-UHFFFAOYSA-N 0 0 391.246 4.440 40 0 GIABRN O=C(Nc1ccccc1C(=O)NC1CCCC1)c1ccc(Br)cc1 ZINC000014423992 818244288 /nfs/dbraw/zinc/24/42/88/818244288.db2.gz REUOPMAQZTURGQ-UHFFFAOYSA-N 0 0 387.277 4.374 40 0 GIABRN CCn1cc(CN2CCO[C@@H](c3ccc(Cc4ccc(C)cc4)cn3)C2)c(C)n1 ZINC000019692375 818598810 /nfs/dbraw/zinc/59/88/10/818598810.db2.gz AGOGRYZSLAYHJJ-XMMPIXPASA-N 0 0 390.531 4.079 40 0 GIABRN CCn1ccc(C(=O)N2CCC(c3cc(-c4ccc(F)cc4)cc(C)n3)CC2)n1 ZINC000019690555 818598906 /nfs/dbraw/zinc/59/89/06/818598906.db2.gz YFPHRGHOKIMKNX-UHFFFAOYSA-N 0 0 392.478 4.432 40 0 GIABRN O=C(C1CCCCC1)N1CCC[C@]2(C1)CC=CCN(Cc1ccc(F)cc1)C2=O ZINC000019742587 818604428 /nfs/dbraw/zinc/60/44/28/818604428.db2.gz PDRUEGSJUFRBSZ-DEOSSOPVSA-N 0 0 398.522 4.303 40 0 GIABRN C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)c2ccccc21 ZINC000031903867 820872834 /nfs/dbraw/zinc/87/28/34/820872834.db2.gz ZOWSVXDFVPHNMU-MLGOLLRUSA-N 0 0 382.323 4.459 40 0 GIABRN O=C(NCc1ccco1)c1sc(=S)n2c1[nH]c(=O)c1cc(Cl)ccc12 ZINC000032946415 821021826 /nfs/dbraw/zinc/02/18/26/821021826.db2.gz AMRANZKOCHWYJF-UHFFFAOYSA-N 0 0 391.861 4.160 40 0 GIABRN CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCc1ccc(C)cc1 ZINC000033598634 821057776 /nfs/dbraw/zinc/05/77/76/821057776.db2.gz RECPXWPWTWUURR-UHFFFAOYSA-N 0 0 380.517 4.137 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CCCC3)ccc2C)c(C)c1 ZINC000033662709 821058586 /nfs/dbraw/zinc/05/85/86/821058586.db2.gz DCVKKHDCVCZTTO-UHFFFAOYSA-N 0 0 386.517 4.085 40 0 GIABRN CCOC(=O)C1=C(C)NC(SCC)=N[C@@H]1c1cccc(Br)c1 ZINC000033661092 821058788 /nfs/dbraw/zinc/05/87/88/821058788.db2.gz YJBYJJYCUMDIOD-CQSZACIVSA-N 0 0 383.311 4.040 40 0 GIABRN CCOc1ccc(N2C(=O)C(=Cc3cn(CC)c4ccccc34)NC2=S)cc1 ZINC000039556303 821114232 /nfs/dbraw/zinc/11/42/32/821114232.db2.gz DTBHIUGGMKZJDT-UYRXBGFRSA-N 0 0 391.496 4.322 40 0 GIABRN Cc1ccc(C)c(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1 ZINC000219077684 222592484 /nfs/dbraw/zinc/59/24/84/222592484.db2.gz DZHZWKLLNVIIMX-HNNXBMFYSA-N 0 0 399.878 4.433 40 0 GIABRN Cc1ccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000006056814 230843414 /nfs/dbraw/zinc/84/34/14/230843414.db2.gz SUVBZTLIBRYKHZ-GFCCVEGCSA-N 0 0 382.243 4.251 40 0 GIABRN CC[C@@H](C)Oc1ccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc1 ZINC000409393674 529382980 /nfs/dbraw/zinc/38/29/80/529382980.db2.gz RYSRFXNOWLWFIU-GEYIUBJWSA-N 0 0 378.497 4.251 40 0 GIABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3)CC2=O)cc1C ZINC000059227365 230943356 /nfs/dbraw/zinc/94/33/56/230943356.db2.gz LOMLHTJSWGEILG-AWEZNQCLSA-N 0 0 387.277 4.058 40 0 GIABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)cc1 ZINC000097074694 231002338 /nfs/dbraw/zinc/00/23/38/231002338.db2.gz VGODUDXTWRBNCY-UHFFFAOYSA-N 0 0 389.864 4.341 40 0 GIABRN CCc1ccc(O[C@@H](CC)C(=O)Nc2cc(C(=O)OC)ccc2Cl)cc1 ZINC000222886218 222618284 /nfs/dbraw/zinc/61/82/84/222618284.db2.gz MSWYWGIDRBIRLU-SFHVURJKSA-N 0 0 375.852 4.485 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)c1 ZINC000408612383 231079995 /nfs/dbraw/zinc/07/99/95/231079995.db2.gz YHJZFRBHOJVQNF-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN CCOc1ccccc1N1C[C@@H](C(=O)Oc2ccc3ccccc3c2)CC1=O ZINC000408671210 231092710 /nfs/dbraw/zinc/09/27/10/231092710.db2.gz TUILHBKERXZUPU-SFHVURJKSA-N 0 0 375.424 4.197 40 0 GIABRN Cc1c(Cl)cccc1N1C[C@@H](C(=O)NCCCCc2ccccc2)CC1=O ZINC000408708895 231102003 /nfs/dbraw/zinc/10/20/03/231102003.db2.gz VCDZKUJZJDEDCT-SFHVURJKSA-N 0 0 384.907 4.140 40 0 GIABRN Cc1cccc(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)c1C ZINC000408628064 231087766 /nfs/dbraw/zinc/08/77/66/231087766.db2.gz SLWWJCAFPUPSHC-UHFFFAOYSA-N 0 0 392.480 4.118 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000222946835 222619847 /nfs/dbraw/zinc/61/98/47/222619847.db2.gz XKKNWWXGSJHGEA-QHCPKHFHSA-N 0 0 394.559 4.220 40 0 GIABRN Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2cc3c(cc2C)OCO3)S1 ZINC000408803440 231116697 /nfs/dbraw/zinc/11/66/97/231116697.db2.gz OXZBIDGLDIPIEY-UHFFFAOYSA-N 0 0 387.868 4.449 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222958128 222620420 /nfs/dbraw/zinc/62/04/20/222620420.db2.gz LRPNARCUZUMNIK-QFIPXVFZSA-N 0 0 380.532 4.296 40 0 GIABRN O=c1cc(Cc2ccccc2)[nH]c2cc(-c3ccc(Br)cc3)nn21 ZINC000409135912 231170047 /nfs/dbraw/zinc/17/00/47/231170047.db2.gz WKYCWAGTEVVNQK-UHFFFAOYSA-N 0 0 380.245 4.043 40 0 GIABRN Cc1cccc(C)c1OCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)o1 ZINC000409153689 231172109 /nfs/dbraw/zinc/17/21/09/231172109.db2.gz DSXUQFYSIWCZQC-MRXNPFEDSA-N 0 0 397.500 4.235 40 0 GIABRN Cc1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)cc1 ZINC000409151592 231172285 /nfs/dbraw/zinc/17/22/85/231172285.db2.gz HXQNTJIUDYUBKB-UHFFFAOYSA-N 0 0 383.473 4.305 40 0 GIABRN Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)s1 ZINC000409167227 231174008 /nfs/dbraw/zinc/17/40/08/231174008.db2.gz HRXLCTPXVYHTKV-RIYZIHGNSA-N 0 0 392.889 4.385 40 0 GIABRN CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1ccc(C)cc1 ZINC000409174079 231174734 /nfs/dbraw/zinc/17/47/34/231174734.db2.gz LCIIVSXZSBFJRV-UHFFFAOYSA-N 0 0 384.480 4.452 40 0 GIABRN Cc1cccnc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)o1 ZINC000409169796 231174952 /nfs/dbraw/zinc/17/49/52/231174952.db2.gz RNCUGQQLOQSJMJ-UHFFFAOYSA-N 0 0 398.488 4.206 40 0 GIABRN Cc1c(F)cccc1NC(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 ZINC000409183460 231176017 /nfs/dbraw/zinc/17/60/17/231176017.db2.gz SKCUWPVUEIJWSW-UHFFFAOYSA-N 0 0 381.359 4.002 40 0 GIABRN CCc1ccc([C@@H](c2c[nH]c3ccccc32)C2C(=O)OC(C)(C)OC2=O)cc1 ZINC000409122563 529711920 /nfs/dbraw/zinc/71/19/20/529711920.db2.gz ZPSBDLRYWUFLPE-IBGZPJMESA-N 0 0 377.440 4.315 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223546814 222635610 /nfs/dbraw/zinc/63/56/10/222635610.db2.gz PQSMNBYRPFDSAG-CQSZACIVSA-N 0 0 393.314 4.089 40 0 GIABRN CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 ZINC000223722687 222641766 /nfs/dbraw/zinc/64/17/66/222641766.db2.gz PGELNXMIBNLUNT-QGZVFWFLSA-N 0 0 394.515 4.357 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCSC2CCCCC2)cc1C(C)C ZINC000224701653 222661291 /nfs/dbraw/zinc/66/12/91/222661291.db2.gz IZHIBYJDRHVCEI-UHFFFAOYSA-N 0 0 385.595 4.471 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1cc(C)cc(C)c1 ZINC000225214276 222671356 /nfs/dbraw/zinc/67/13/56/222671356.db2.gz SZPHLVPMIOCBMB-LJQANCHMSA-N 0 0 398.572 4.008 40 0 GIABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000225279532 222672976 /nfs/dbraw/zinc/67/29/76/222672976.db2.gz FRALHJPPHRFHIZ-RBUKOAKNSA-N 0 0 383.488 4.098 40 0 GIABRN Cc1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCC3)n2)cc1Cl ZINC000329070047 203773816 /nfs/dbraw/zinc/77/38/16/203773816.db2.gz ZDQOOLRRTWENAS-UHFFFAOYSA-N 0 0 379.895 4.442 40 0 GIABRN CC(C)(Cc1ccccc1)NC(=O)c1ccccc1I ZINC000223259833 203791781 /nfs/dbraw/zinc/79/17/81/203791781.db2.gz VZMUCTQEMJQGJF-UHFFFAOYSA-N 0 0 379.241 4.042 40 0 GIABRN COc1ccc(C(=O)COC(=O)c2cc(C(C)C)nc3ccccc32)cc1OC ZINC000004988202 203793377 /nfs/dbraw/zinc/79/33/77/203793377.db2.gz SZBDKXHCGIGQMX-UHFFFAOYSA-N 0 0 393.439 4.415 40 0 GIABRN Cc1cc(-c2ccccc2)nc(N2CCC(C(=O)NCC3CCCCC3)CC2)n1 ZINC000004966767 203793408 /nfs/dbraw/zinc/79/34/08/203793408.db2.gz HEJQQOCYQGDUHF-UHFFFAOYSA-N 0 0 392.547 4.365 40 0 GIABRN C[C@H](O)c1onc(-c2ccccc2)c1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000253401725 203814614 /nfs/dbraw/zinc/81/46/14/203814614.db2.gz NLKLLJIGIAGGGU-KRWDZBQOSA-N 0 0 390.483 4.490 40 0 biogenic,in-vitro GIABRN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nnc(CNc2ccc(Cl)cc2)o1 ZINC000000897296 203864215 /nfs/dbraw/zinc/86/42/15/203864215.db2.gz NEOJGYUOWQSXKY-BETUJISGSA-N 0 0 394.928 4.217 40 0 GIABRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCC1 ZINC000001098760 203882875 /nfs/dbraw/zinc/88/28/75/203882875.db2.gz WGENUMNWTILUBG-UHFFFAOYSA-N 0 0 393.270 4.247 40 0 GIABRN COc1cccc(-c2noc([C@@H]3CCCN(C(=O)Nc4ccccc4C)C3)n2)c1 ZINC000001362497 203902914 /nfs/dbraw/zinc/90/29/14/203902914.db2.gz YFFYRIIMOQPOLK-QGZVFWFLSA-N 0 0 392.459 4.465 40 0 GIABRN Cc1cc(Cl)cc2c1NC(=O)[C@]2(O)[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000003589592 204013725 /nfs/dbraw/zinc/01/37/25/204013725.db2.gz JMXWDYGKEGMKQH-AUSIDOKSSA-N 0 0 391.854 4.455 40 0 GIABRN CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@H]2CCC[C@H](C)C2)cc1 ZINC000004017170 204023602 /nfs/dbraw/zinc/02/36/02/204023602.db2.gz HMHGFNNDQDOWCS-ADLFWFRXSA-N 0 0 386.492 4.225 40 0 GIABRN CC1CCN([C@@H](c2nnnn2CCc2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000004847724 204082397 /nfs/dbraw/zinc/08/23/97/204082397.db2.gz WMCLCQJXJFUKEU-OAQYLSRUSA-N 0 0 395.938 4.391 40 0 GIABRN CCc1cc2cc(OC)c(OC)cc2nc1SCC(=O)N1CCCC[C@H]1C ZINC000004857763 204083123 /nfs/dbraw/zinc/08/31/23/204083123.db2.gz PRPYAZDCDNQJQP-CQSZACIVSA-N 0 0 388.533 4.308 40 0 GIABRN [NH3+][C@@H](CSC1(c2ccc(F)cc2)c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000005081021 204109472 /nfs/dbraw/zinc/10/94/72/204109472.db2.gz DCRGHKLXVWULPR-FQEVSTJZSA-N 0 0 379.456 4.243 40 0 GIABRN O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000005769755 204150650 /nfs/dbraw/zinc/15/06/50/204150650.db2.gz NVPSIOBTQXEALR-UHFFFAOYSA-N 0 0 393.896 4.159 40 0 GIABRN COc1ccc(C(=O)c2sc3nc4cc(OC)c(OC)cc4cc3c2N)cc1 ZINC000035288879 204151808 /nfs/dbraw/zinc/15/18/08/204151808.db2.gz DSRYUNPPPYVYDK-UHFFFAOYSA-N 0 0 394.452 4.289 40 0 GIABRN CCO/C=C1/N=C(C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)OC1=O ZINC000005807841 204153434 /nfs/dbraw/zinc/15/34/34/204153434.db2.gz OOLOLFNNHRKCKQ-LFIBNONCSA-N 0 0 392.238 4.063 40 0 GIABRN CCCc1nc2ccccc2c(SCC(=O)Nc2ccc(C(=O)OC)cc2)n1 ZINC000035291549 204156097 /nfs/dbraw/zinc/15/60/97/204156097.db2.gz QTQWFRWCNGSLFV-UHFFFAOYSA-N 0 0 395.484 4.100 40 0 GIABRN O=C(CSc1ccc(-c2ccccc2)nn1)NCCc1c[nH]c2ccccc12 ZINC000035314723 204166524 /nfs/dbraw/zinc/16/65/24/204166524.db2.gz YYWFAUPNHHFWJH-UHFFFAOYSA-N 0 0 388.496 4.076 40 0 GIABRN O=C(Nc1cc(Cl)ccc1Cl)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000006152117 204168709 /nfs/dbraw/zinc/16/87/09/204168709.db2.gz PHCHWPIELALOES-UHFFFAOYSA-N 0 0 399.299 4.030 40 0 GIABRN C[C@H](CNC(=O)C12CC3CC(CC(C3)C1)C2)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005463497 204134508 /nfs/dbraw/zinc/13/45/08/204134508.db2.gz UKSZEFOHGSIMLV-FCEHGGSWSA-N 0 0 398.591 4.040 40 0 GIABRN Cc1ccc(C(=O)NC(=S)Nc2c(F)cc(F)cc2Br)c(C)c1 ZINC000006203512 204169478 /nfs/dbraw/zinc/16/94/78/204169478.db2.gz XMWSFYHBHIDCDE-UHFFFAOYSA-N 0 0 399.260 4.471 40 0 GIABRN Cc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C(=O)Nc2ccc(F)cc2)c1 ZINC000035311120 204169767 /nfs/dbraw/zinc/16/97/67/204169767.db2.gz USJAZOUPZHQXJE-SEJPIABJSA-N 0 0 395.478 4.482 40 0 GIABRN O=C1C(=Cc2ccc(Cl)cc2Cl)S[C@@H]2NC(c3ccccc3)=NN12 ZINC000005682140 204146556 /nfs/dbraw/zinc/14/65/56/204146556.db2.gz AMMYNATZMJNXEO-XMCSSRMMSA-N 0 0 376.268 4.158 40 0 GIABRN O=c1c2ccccc2n2c(-c3ccccc3F)nnc2n1Cc1ccc(F)cc1 ZINC000006781197 204204193 /nfs/dbraw/zinc/20/41/93/204204193.db2.gz NETXLLDNUZKVGX-UHFFFAOYSA-N 0 0 388.377 4.038 40 0 GIABRN Cc1ccc(-c2nnc3n2c2ccccc2c(=O)n3CCc2ccccc2)cc1 ZINC000006781252 204204726 /nfs/dbraw/zinc/20/47/26/204204726.db2.gz ITYJNCAUNSRSHO-UHFFFAOYSA-N 0 0 380.451 4.262 40 0 GIABRN COc1ccc(NC(=O)c2cccc(F)c2)cc1NC(=O)c1cccc(F)c1 ZINC000006847156 204215396 /nfs/dbraw/zinc/21/53/96/204215396.db2.gz SBTOHCLBHMVUQV-UHFFFAOYSA-N 0 0 382.366 4.478 40 0 GIABRN COC(=O)C1=NC(=S)N[C@H](c2ccccc2)[C@@H]1c1nc2ccccc2s1 ZINC000006379189 204175332 /nfs/dbraw/zinc/17/53/32/204175332.db2.gz ZBRZDYNVWPWRBQ-LSDHHAIUSA-N 0 0 381.482 4.035 40 0 GIABRN COC(=O)C1=NC(=S)N[C@@H](c2ccccc2)[C@@H]1c1nc2ccccc2s1 ZINC000006379196 204176414 /nfs/dbraw/zinc/17/64/14/204176414.db2.gz ZBRZDYNVWPWRBQ-GJZGRUSLSA-N 0 0 381.482 4.035 40 0 GIABRN CCCOc1cccc(C(=O)Nc2ncc(I)cc2C)c1 ZINC000006517424 204182452 /nfs/dbraw/zinc/18/24/52/204182452.db2.gz HNHWBCONPHUIIE-UHFFFAOYSA-N 0 0 396.228 4.036 40 0 GIABRN Cc1cc(C)cc(OCC(=O)NC(=S)Nc2ccccc2N2CCCCC2)c1 ZINC000006571484 204185536 /nfs/dbraw/zinc/18/55/36/204185536.db2.gz ONFVDOFZJFCTGS-UHFFFAOYSA-N 0 0 397.544 4.186 40 0 GIABRN CC[C@H](C)Oc1cccc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)c1 ZINC000006603730 204186722 /nfs/dbraw/zinc/18/67/22/204186722.db2.gz ANLXEZWCOCKWLZ-YEVHIBAUSA-N 0 0 386.561 4.293 40 0 GIABRN O=C([O-])C1CC[NH+](Cc2c(-c3cccs3)nc3ccc(Cl)cn32)CC1 ZINC000006740900 204198836 /nfs/dbraw/zinc/19/88/36/204198836.db2.gz SCJSMWZLHYBZRI-UHFFFAOYSA-N 0 0 375.881 4.013 40 0 GIABRN COc1ccc(C2=Nc3ccccc3C(c3ccc(OC)c(OC)c3)=NN2)cc1 ZINC000006973418 204227605 /nfs/dbraw/zinc/22/76/05/204227605.db2.gz KVHUPEQWGYFXFR-UHFFFAOYSA-N 0 0 387.439 4.146 40 0 GIABRN Cc1cc2ccccc2n1CC(=O)Nc1cccc(I)c1 ZINC000006964442 204227809 /nfs/dbraw/zinc/22/78/09/204227809.db2.gz CKWNXNMCSFMSMK-UHFFFAOYSA-N 0 0 390.224 4.193 40 0 GIABRN O=C(COc1ccc2ccccc2c1)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000007759268 204249142 /nfs/dbraw/zinc/24/91/42/204249142.db2.gz PWWCUYFGOOXASP-UHFFFAOYSA-N 0 0 393.830 4.238 40 0 GIABRN C[C@@H](CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000008033498 204258912 /nfs/dbraw/zinc/25/89/12/204258912.db2.gz MDWUKWOEEPQVCD-KRWDZBQOSA-N 0 0 394.496 4.021 40 0 GIABRN Cc1cc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)ccc1Cl ZINC000008154334 204263915 /nfs/dbraw/zinc/26/39/15/204263915.db2.gz MIKOAFPESHVEIZ-UHFFFAOYSA-N 0 0 398.846 4.189 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2C)cc1 ZINC000010113028 204330151 /nfs/dbraw/zinc/33/01/51/204330151.db2.gz IZNHCEPYRLKSCE-UHFFFAOYSA-N 0 0 386.517 4.120 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1 ZINC000010684146 204338331 /nfs/dbraw/zinc/33/83/31/204338331.db2.gz JIQCFELMTGNNCR-MRXNPFEDSA-N 0 0 376.456 4.386 40 0 GIABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1 ZINC000010684147 204338472 /nfs/dbraw/zinc/33/84/72/204338472.db2.gz JIQCFELMTGNNCR-INIZCTEOSA-N 0 0 376.456 4.386 40 0 GIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)c2cc(C(C)C)nn2C)cc1 ZINC000012162421 204377993 /nfs/dbraw/zinc/37/79/93/204377993.db2.gz OLTCEPRGEMPZBB-UBBRYJJRSA-N 0 0 381.520 4.254 40 0 GIABRN CCCn1c(CN2CCC[C@@H](n3c4ccccc4oc3=O)C2)nc2ccccc21 ZINC000012087603 204370960 /nfs/dbraw/zinc/37/09/60/204370960.db2.gz YHMVDWKNXPPZHS-QGZVFWFLSA-N 0 0 390.487 4.191 40 0 GIABRN C[C@@H](Cc1ccc2c(c1)OCO2)c1nc2cnccn2c1NCc1ccccc1 ZINC000012113897 204372006 /nfs/dbraw/zinc/37/20/06/204372006.db2.gz TVTFYXUUTNIIOJ-INIZCTEOSA-N 0 0 386.455 4.416 40 0 GIABRN C[C@H](NC(=O)[C@@H](c1ccccc1)C1CCCC1)c1nc(-c2cccnc2)n[nH]1 ZINC000012114771 204373148 /nfs/dbraw/zinc/37/31/48/204373148.db2.gz PYRZRIURCQKAIK-KXBFYZLASA-N 0 0 375.476 4.018 40 0 GIABRN O=c1c2snc(-c3ccc(F)cc3)c2ncn1CCc1c[nH]c2ccccc12 ZINC000012146001 204375323 /nfs/dbraw/zinc/37/53/23/204375323.db2.gz FMZRPMIUTVBWHJ-UHFFFAOYSA-N 0 0 390.443 4.383 40 0 GIABRN O=C(NC1(c2ccc3c(c2)OCO3)CCCC1)c1ccc(OC2CSC2)cc1 ZINC000012155611 204376488 /nfs/dbraw/zinc/37/64/88/204376488.db2.gz DZKLGPBLVVQTGQ-UHFFFAOYSA-N 0 0 397.496 4.109 40 0 GIABRN Cc1ccccc1[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1)c1ccncc1 ZINC000012148511 204376499 /nfs/dbraw/zinc/37/64/99/204376499.db2.gz IEGXGXANOYSAKG-JOCHJYFZSA-N 0 0 386.430 4.234 40 0 GIABRN CCc1nc(NC(=O)CCn2c3ccccc3nc2-c2ccccn2)sc1C ZINC000012147285 204376848 /nfs/dbraw/zinc/37/68/48/204376848.db2.gz RCPQZWPDDNPWEM-UHFFFAOYSA-N 0 0 391.500 4.454 40 0 GIABRN O=C(CSc1nccc2ccccc21)Nc1cnn(Cc2ccc(F)cc2)c1 ZINC000012148317 204376913 /nfs/dbraw/zinc/37/69/13/204376913.db2.gz MBGYEBPRZQBPOJ-UHFFFAOYSA-N 0 0 392.459 4.350 40 0 GIABRN O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ncoc1-c1cccs1 ZINC000012338287 204399479 /nfs/dbraw/zinc/39/94/79/204399479.db2.gz SUANELMCDWLIHH-UHFFFAOYSA-N 0 0 389.864 4.145 40 0 GIABRN Cc1sc2nc(C3CC3)n(C3CCN(C(=O)C4CCCC4)CC3)c(=O)c2c1C ZINC000012184967 204379913 /nfs/dbraw/zinc/37/99/13/204379913.db2.gz BSTOGHIGVYJTAK-UHFFFAOYSA-N 0 0 399.560 4.306 40 0 GIABRN COc1ccc(C2(NC(=O)CCN3Cc4ccccc4C3=O)CCCCC2)cc1 ZINC000012197815 204380931 /nfs/dbraw/zinc/38/09/31/204380931.db2.gz STMBBLROJZPVST-UHFFFAOYSA-N 0 0 392.499 4.017 40 0 GIABRN COc1cccc(C2(NC(=O)c3c(C)onc3-c3ccncc3)CCCC2)c1 ZINC000012197490 204381606 /nfs/dbraw/zinc/38/16/06/204381606.db2.gz YLFGTDYJHARRQV-UHFFFAOYSA-N 0 0 377.444 4.253 40 0 GIABRN Cc1cccc2c(C(=O)Nc3nnc(Cc4cccc(F)c4)s3)cc(=O)[nH]c12 ZINC000012193406 204381696 /nfs/dbraw/zinc/38/16/96/204381696.db2.gz JQDFRXXJLWVIJO-UHFFFAOYSA-N 0 0 394.431 4.083 40 0 GIABRN Cc1nn(CCC(=O)NCc2cc(C)cc3c4c([nH]c32)CCCC4)c(C)c1C ZINC000012203596 204382633 /nfs/dbraw/zinc/38/26/33/204382633.db2.gz YAKLHBXNITXSSD-UHFFFAOYSA-N 0 0 378.520 4.183 40 0 GIABRN Cc1cc(C)n(CCCC(=O)NCc2cc(C)cc3c4c([nH]c32)CCCC4)n1 ZINC000012203601 204382868 /nfs/dbraw/zinc/38/28/68/204382868.db2.gz CGINTRQYNFGTIA-UHFFFAOYSA-N 0 0 378.520 4.265 40 0 GIABRN CCCNC(=O)C1(Cc2ccccc2-c2cc(F)ccc2OC)CCOCC1 ZINC000012231531 204386284 /nfs/dbraw/zinc/38/62/84/204386284.db2.gz AREKNGHFTOTJEL-UHFFFAOYSA-N 0 0 385.479 4.367 40 0 GIABRN CCC(=O)N1CCC(c2cc(C(F)(F)F)n3nc(C(C)(C)C)cc3n2)CC1 ZINC000012241434 204386873 /nfs/dbraw/zinc/38/68/73/204386873.db2.gz CEVXGLQHAXIYND-UHFFFAOYSA-N 0 0 382.430 4.162 40 0 GIABRN Cc1nn([C@H](C)CC(=O)N2CCc3[nH]c4c(ccc(C)c4C)c3C2)c(C)c1C ZINC000012325748 204397268 /nfs/dbraw/zinc/39/72/68/204397268.db2.gz XQLFRASZMYMASP-CQSZACIVSA-N 0 0 378.520 4.443 40 0 GIABRN Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 ZINC000013679178 204503742 /nfs/dbraw/zinc/50/37/42/204503742.db2.gz OZKBWUVMUZACBK-UHFFFAOYSA-N 0 0 386.498 4.134 40 0 GIABRN CCCC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2F)(C(=O)N(C)C)C1 ZINC000019501062 204647095 /nfs/dbraw/zinc/64/70/95/204647095.db2.gz DKDUUWNISDUAQO-DEOSSOPVSA-N 0 0 396.506 4.142 40 0 GIABRN C[C@H]1Cc2cc(CC(=O)N3CCC[C@H](COc4ccccc4F)C3)ccc2O1 ZINC000019498080 204648140 /nfs/dbraw/zinc/64/81/40/204648140.db2.gz INJNXKHWKBLGOA-WMZOPIPTSA-N 0 0 383.463 4.009 40 0 GIABRN CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1cccc(F)c1 ZINC000019017573 204622258 /nfs/dbraw/zinc/62/22/58/204622258.db2.gz CURMUWQDNHLVPX-DNVJHFABSA-N 0 0 394.490 4.225 40 0 GIABRN CC(C)(C)c1ccc(C(=O)Nc2ncc(Cc3ccccc3F)s2)c(=O)[nH]1 ZINC000019084416 204624268 /nfs/dbraw/zinc/62/42/68/204624268.db2.gz GMXPUROUZAYYMJ-UHFFFAOYSA-N 0 0 385.464 4.111 40 0 GIABRN Cc1cccc(C)c1OCC(=O)N1CCC[C@@H]1c1nnc(-c2ccsc2)o1 ZINC000019236053 204633067 /nfs/dbraw/zinc/63/30/67/204633067.db2.gz GFIOTYMKFSBOGM-MRXNPFEDSA-N 0 0 383.473 4.157 40 0 GIABRN Cc1cnccc1-c1c[nH]nc1[C@H]1CCCCN1C(=O)Cc1ccccc1F ZINC000019239588 204634517 /nfs/dbraw/zinc/63/45/17/204634517.db2.gz CRRGSYKTKVLBMF-HXUWFJFHSA-N 0 0 378.451 4.216 40 0 GIABRN O=C(c1cccc2cccnc21)N1CCC(c2ccc(-c3cncnc3)cn2)CC1 ZINC000019689114 204670122 /nfs/dbraw/zinc/67/01/22/204670122.db2.gz YFOJXOUJEHWRLK-UHFFFAOYSA-N 0 0 395.466 4.107 40 0 GIABRN O=C(c1ccccc1)N1CCC[C@@H]1c1cc(CCOc2ccc(F)cc2)n[nH]1 ZINC000019703660 204671073 /nfs/dbraw/zinc/67/10/73/204671073.db2.gz UAZTXUASZFQPIR-OAQYLSRUSA-N 0 0 379.435 4.148 40 0 GIABRN CC(=O)N1CCC[C@@H](c2cc(Oc3cccc(F)c3)nc(-c3cccnc3)n2)C1 ZINC000019717408 204677619 /nfs/dbraw/zinc/67/76/19/204677619.db2.gz XURVTVFSOXYOFK-QGZVFWFLSA-N 0 0 392.434 4.196 40 0 GIABRN Cc1nn(C)c(C)c1CN(C(=O)[C@H](C)Oc1cccc(C(F)(F)F)c1)C1CC1 ZINC000019577762 204658875 /nfs/dbraw/zinc/65/88/75/204658875.db2.gz CYMACNQWKCMSFV-AWEZNQCLSA-N 0 0 395.425 4.014 40 0 GIABRN Cc1cc(C)n(CCCC(=O)Nc2ccccc2Oc2ccc(F)cc2)c(=O)n1 ZINC000019572617 204659359 /nfs/dbraw/zinc/65/93/59/204659359.db2.gz MFCXJRJKRQJNDC-UHFFFAOYSA-N 0 0 395.434 4.210 40 0 GIABRN COc1ccc(CN(C)C(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1OC ZINC000020484659 204720326 /nfs/dbraw/zinc/72/03/26/204720326.db2.gz FYSGIRUAAYWXMA-ZDUSSCGKSA-N 0 0 379.909 4.496 40 0 GIABRN Cn1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(=O)c2ccccc21 ZINC000022234171 204777947 /nfs/dbraw/zinc/77/79/47/204777947.db2.gz WRVJTWJBBXXKDW-UHFFFAOYSA-N 0 0 380.753 4.463 40 0 GIABRN COc1ccc([C@@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1OC ZINC000022523545 204782956 /nfs/dbraw/zinc/78/29/56/204782956.db2.gz SMOFKCUYIBUIAT-CYBMUJFWSA-N 0 0 379.909 4.468 40 0 GIABRN CN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000028188774 204866978 /nfs/dbraw/zinc/86/69/78/204866978.db2.gz UQJSLHWFCBGHIV-UHFFFAOYSA-N 0 0 385.489 4.133 40 0 GIABRN COCCn1c(-c2nc(C(=O)Nc3ccccn3)cs2)cc2ccccc21 ZINC000038911559 204850556 /nfs/dbraw/zinc/85/05/56/204850556.db2.gz WDURJLUKMCNGJU-UHFFFAOYSA-N 0 0 378.457 4.059 40 0 GIABRN Cc1cc(C(=O)c2ccccc2)c(NC(=O)CN2CCc3ccccc3C2)s1 ZINC000036347736 205012361 /nfs/dbraw/zinc/01/23/61/205012361.db2.gz YTNJKEYSGNIWLE-UHFFFAOYSA-N 0 0 390.508 4.284 40 0 GIABRN CCOC(=O)c1ccc(NC=C2SC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000036636264 205020204 /nfs/dbraw/zinc/02/02/04/205020204.db2.gz FBRMTIROALRLNJ-ATVHPVEESA-N 0 0 382.441 4.012 40 0 GIABRN Cc1cc2c(c(=O)o1)C(c1ccc(OC(C)C)cc1)c1c(cc(C)oc1=O)O2 ZINC000036633739 205020572 /nfs/dbraw/zinc/02/05/72/205020572.db2.gz JDZSOAAHTMFSIK-UHFFFAOYSA-N 0 0 380.396 4.283 40 0 GIABRN COc1cc(CO)cc(Br)c1OCc1ccc(F)cc1Cl ZINC000036815372 205021720 /nfs/dbraw/zinc/02/17/20/205021720.db2.gz ASXFVHHBMGUHMR-UHFFFAOYSA-N 0 0 375.621 4.322 40 0 GIABRN COCC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3cc(C)ccc3[nH]2)C[C@H]1C(C)C ZINC000072320845 205031069 /nfs/dbraw/zinc/03/10/69/205031069.db2.gz KPCXGZRWVBHPGU-FHWLQOOXSA-N 0 0 383.536 4.031 40 0 biogenic,in-vitro GIABRN CCOc1ccc([C@H](C)NC(=O)CSc2ccc(OC)c(OC)c2)cc1 ZINC000038753349 205037238 /nfs/dbraw/zinc/03/72/38/205037238.db2.gz DHMJJBFDZUIKJV-AWEZNQCLSA-N 0 0 375.490 4.072 40 0 GIABRN O=C(NC(c1ccccc1)c1ccccc1)c1cccc(CN2CCOCC2)c1 ZINC000038753569 205037370 /nfs/dbraw/zinc/03/73/70/205037370.db2.gz RDOKWDLCWSFFPN-UHFFFAOYSA-N 0 0 386.495 4.038 40 0 GIABRN Cc1ccccc1[C@@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000038755337 205039014 /nfs/dbraw/zinc/03/90/14/205039014.db2.gz TYGVHZGCYIUBJR-DEOSSOPVSA-N 0 0 386.495 4.351 40 0 GIABRN O=C(Cn1ccc(=O)c2cc(Cl)ccc21)Nc1cccc(Br)c1 ZINC000039963247 205044582 /nfs/dbraw/zinc/04/45/82/205044582.db2.gz HVRDAXXVZWOKEA-UHFFFAOYSA-N 0 0 391.652 4.056 40 0 GIABRN O=c1c2c(ccn1C1CCCCC1)nc1ncnn1c2-c1cccc(Cl)c1 ZINC000040397967 205063348 /nfs/dbraw/zinc/06/33/48/205063348.db2.gz KYCHSTOWKOKVIE-UHFFFAOYSA-N 0 0 379.851 4.265 40 0 GIABRN COc1ccccc1-c1c2c(ccn(C3CCCCCC3)c2=O)nc2ncnn21 ZINC000040398143 205063527 /nfs/dbraw/zinc/06/35/27/205063527.db2.gz APKGYFUQVDCGHA-UHFFFAOYSA-N 0 0 389.459 4.010 40 0 GIABRN C[C@H]1[C@H](n2ccc3nc4ncnn4c(-c4ccc(F)cc4)c3c2=O)CCC[C@@H]1C ZINC000040398307 205063666 /nfs/dbraw/zinc/06/36/66/205063666.db2.gz AFQMUSZSSYRGRH-PMUMKWKESA-N 0 0 391.450 4.243 40 0 GIABRN Cc1nc2nc3ccn(C4CCCCCC4)c(=O)c3c(-c3ccc(F)cc3)n2n1 ZINC000040398546 205064303 /nfs/dbraw/zinc/06/43/03/205064303.db2.gz SFILYSKRPRLLPM-UHFFFAOYSA-N 0 0 391.450 4.449 40 0 GIABRN C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@]12Cc1c(c3c(cc1O)C(=O)NC3)O2 ZINC000043509655 205082974 /nfs/dbraw/zinc/08/29/74/205082974.db2.gz ZSVLMDBFFSSVAK-QSNYVGRISA-N 0 0 385.504 4.117 40 0 biogenic,in-vitro GIABRN O=C1CCCN1c1cccc(CNC(=S)Nc2ccc(F)c(Cl)c2)c1 ZINC000044077895 205085221 /nfs/dbraw/zinc/08/52/21/205085221.db2.gz VTEZGBIHVVQAQK-UHFFFAOYSA-N 0 0 377.872 4.093 40 0 GIABRN CCOC(=O)c1cc(NS(=O)(=O)Cc2ccccc2Cl)ccc1Cl ZINC000044886533 205087541 /nfs/dbraw/zinc/08/75/41/205087541.db2.gz OPEXCXPDNZNEGU-UHFFFAOYSA-N 0 0 388.272 4.112 40 0 GIABRN CCOC(=O)c1cc(NC(=O)CCCOc2ccc(OC)cc2)ccc1Cl ZINC000044845221 205088623 /nfs/dbraw/zinc/08/86/23/205088623.db2.gz TYBOYQDMOFXEPW-UHFFFAOYSA-N 0 0 391.851 4.323 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1Cl ZINC000044939933 205090538 /nfs/dbraw/zinc/09/05/38/205090538.db2.gz CCAZMMWOSWNCBU-UHFFFAOYSA-N 0 0 383.835 4.014 40 0 GIABRN CCOC(=O)c1cc(NC(=O)c2ccc(Cn3ccnc3)cc2)ccc1Cl ZINC000044939700 205090937 /nfs/dbraw/zinc/09/09/37/205090937.db2.gz YFXXSMFLZOMQNI-UHFFFAOYSA-N 0 0 383.835 4.014 40 0 GIABRN COC[C@H](C)NC(=O)C1(Cc2ccccc2-c2ccc(C)cc2C)CCOCC1 ZINC000060016486 205180621 /nfs/dbraw/zinc/18/06/21/205180621.db2.gz JPMLGQVOOLMXAW-FQEVSTJZSA-N 0 0 395.543 4.461 40 0 GIABRN COc1ccc(CCCNC(=O)CSCc2cccc(Cl)c2)cc1OC ZINC000065087085 205210471 /nfs/dbraw/zinc/21/04/71/205210471.db2.gz JCONWGCHPJWUQK-UHFFFAOYSA-N 0 0 393.936 4.339 40 0 GIABRN CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000064477504 205190790 /nfs/dbraw/zinc/19/07/90/205190790.db2.gz POGWUEZETIOOJI-UHFFFAOYSA-N 0 0 398.509 4.462 40 0 GIABRN CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)cc1OCC ZINC000070748291 205278103 /nfs/dbraw/zinc/27/81/03/205278103.db2.gz NMKUNNNCFRVNEK-UHFFFAOYSA-N 0 0 377.824 4.176 40 0 GIABRN Cc1cc2nc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)cc(C(F)(F)F)n2n1 ZINC000072340894 205327474 /nfs/dbraw/zinc/32/74/74/205327474.db2.gz AGYFDXMHZUIXON-OAHLLOKOSA-N 0 0 394.441 4.343 40 0 GIABRN c1csc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2-c2cnccn2)c1 ZINC000072338741 205328256 /nfs/dbraw/zinc/32/82/56/205328256.db2.gz IVHVREMGRKZPFF-UHFFFAOYSA-N 0 0 389.440 4.003 40 0 GIABRN COc1cc2c(cc1OC)[C@@H](c1cc(C)no1)N(C(=O)CCC1CCCC1)CC2 ZINC000072342730 205329204 /nfs/dbraw/zinc/32/92/04/205329204.db2.gz JWXWFXOPHIIKNY-QHCPKHFHSA-N 0 0 398.503 4.445 40 0 GIABRN COc1ccc2c(c1)NC1(CCN(C(=O)[C@@H]3CC=CCC3)CC1)c1cccn1-2 ZINC000072346494 205329243 /nfs/dbraw/zinc/32/92/43/205329243.db2.gz BLQAATVUROFTGF-QGZVFWFLSA-N 0 0 377.488 4.085 40 0 GIABRN CNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)CC(C)C)CC1 ZINC000072345093 205329742 /nfs/dbraw/zinc/32/97/42/205329742.db2.gz BCGCPQKVENISLZ-UHFFFAOYSA-N 0 0 392.543 4.297 40 0 GIABRN O=C(c1ccncc1)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072349168 205330141 /nfs/dbraw/zinc/33/01/41/205330141.db2.gz MPSNKIZVZJHLND-LJQANCHMSA-N 0 0 375.447 4.226 40 0 GIABRN COc1ccccc1Cc1cccc(C2CCN(C(=O)c3cccnc3)CC2)n1 ZINC000072349122 205330951 /nfs/dbraw/zinc/33/09/51/205330951.db2.gz WOLDWHMLCOASOI-UHFFFAOYSA-N 0 0 387.483 4.096 40 0 GIABRN O=C(c1cccnc1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072349114 205331366 /nfs/dbraw/zinc/33/13/66/205331366.db2.gz KBDKESLQIOHFKN-IBGZPJMESA-N 0 0 375.447 4.226 40 0 GIABRN Cc1ccc(Cc2cccc([C@@H]3CCCN3CC(=O)N3CCCCC3)n2)cc1 ZINC000072357623 205332643 /nfs/dbraw/zinc/33/26/43/205332643.db2.gz IHBDUYYFPNONLL-QHCPKHFHSA-N 0 0 377.532 4.130 40 0 GIABRN Cc1cnc(C(=O)N2CCC[C@H](c3cc(Cc4ccccc4)cc(C)n3)C2)cn1 ZINC000072353937 205332866 /nfs/dbraw/zinc/33/28/66/205332866.db2.gz YTKREEXKLINGKT-NRFANRHFSA-N 0 0 386.499 4.099 40 0 GIABRN O=C(Nc1ccccn1)c1cccc([C@H]2CCCN(C(=O)C3CCCCC3)C2)n1 ZINC000072357440 205332919 /nfs/dbraw/zinc/33/29/19/205332919.db2.gz FMYATIVHNNDBBQ-SFHVURJKSA-N 0 0 392.503 4.015 40 0 GIABRN Cc1cc(N2CC[C@@H](c3c4ccccc4sc3C(=O)NC(C)C)C2)nc(C)n1 ZINC000072352435 205333176 /nfs/dbraw/zinc/33/31/76/205333176.db2.gz PZLHSUKOWKRFLX-MRXNPFEDSA-N 0 0 394.544 4.440 40 0 GIABRN O=C(Cc1cccnc1)N1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1 ZINC000072357907 205333213 /nfs/dbraw/zinc/33/32/13/205333213.db2.gz VKVRGRMXARBBKU-JOCHJYFZSA-N 0 0 375.447 4.113 40 0 GIABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)c2ccc(F)cc2)n1 ZINC000072354628 205333239 /nfs/dbraw/zinc/33/32/39/205333239.db2.gz FYRFGCRYEOUETE-SFHVURJKSA-N 0 0 396.853 4.496 40 0 GIABRN Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2cc(Cc3ccccc3)cc(C)n2)C1 ZINC000072353984 205333299 /nfs/dbraw/zinc/33/32/99/205333299.db2.gz SNTLYCXIAIHBCP-OAQYLSRUSA-N 0 0 388.515 4.043 40 0 GIABRN O=C(COc1ccccc1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072358665 205333703 /nfs/dbraw/zinc/33/37/03/205333703.db2.gz FUXZQAPHEVKPQW-SFHVURJKSA-N 0 0 391.446 4.068 40 0 GIABRN Cc1ncsc1C(=O)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072359027 205334361 /nfs/dbraw/zinc/33/43/61/205334361.db2.gz PAIJGSMSOOPVOD-HNNXBMFYSA-N 0 0 382.464 4.067 40 0 GIABRN CCn1ccnc1CN1CCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NC ZINC000072370495 205335577 /nfs/dbraw/zinc/33/55/77/205335577.db2.gz VGBXSTUSVVVWST-MRXNPFEDSA-N 0 0 396.560 4.075 40 0 GIABRN CCc1nnc(Nc2cccc([C@@H]3CCCN3C(=O)C3CCCCC3)n2)s1 ZINC000072375187 205336887 /nfs/dbraw/zinc/33/68/87/205336887.db2.gz QFNJTHLNLYGPRN-INIZCTEOSA-N 0 0 385.537 4.483 40 0 GIABRN COc1ccc(OC)c(-c2cn3nc(-c4ccco4)c(-c4ccco4)nc3n2)c1 ZINC000072373383 205338154 /nfs/dbraw/zinc/33/81/54/205338154.db2.gz QMXNXBMVGOYANY-UHFFFAOYSA-N 0 0 388.383 4.329 40 0 GIABRN Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCCN2C(=O)c2ccc(F)cc2)n1 ZINC000072376807 205338249 /nfs/dbraw/zinc/33/82/49/205338249.db2.gz JEZZWJBLMDOJCN-IBGZPJMESA-N 0 0 394.425 4.371 40 0 GIABRN O=C(c1cscn1)N1CCC[C@@H]1c1cncc(Oc2ccc(Cl)cc2)n1 ZINC000072384079 205339027 /nfs/dbraw/zinc/33/90/27/205339027.db2.gz GYBKYBNASCDQAD-MRXNPFEDSA-N 0 0 386.864 4.356 40 0 GIABRN O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2ccnc(Nc3ccccn3)n2)C1 ZINC000072377536 205339136 /nfs/dbraw/zinc/33/91/36/205339136.db2.gz OWDQZUMVEYWJDN-MRXNPFEDSA-N 0 0 393.878 4.288 40 0 GIABRN Cc1ncsc1C(=O)N1CCC[C@H](c2cccc(-n3ccnc3C(C)C)n2)C1 ZINC000072379046 205339165 /nfs/dbraw/zinc/33/91/65/205339165.db2.gz SGVQTCGONCUHCW-INIZCTEOSA-N 0 0 395.532 4.175 40 0 GIABRN O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1c1ccnc(Nc2ccccn2)n1 ZINC000072377535 205339505 /nfs/dbraw/zinc/33/95/05/205339505.db2.gz OTQGRJINZTXSQC-QGZVFWFLSA-N 0 0 379.851 4.246 40 0 GIABRN Cc1cc(Oc2ccccc2)nc([C@@H]2CCCCN2C(=O)C2CCOCC2)n1 ZINC000072384273 205340153 /nfs/dbraw/zinc/34/01/53/205340153.db2.gz ADODXAPSAUWWLB-IBGZPJMESA-N 0 0 381.476 4.058 40 0 GIABRN O=C(C1CCCCC1)N1CCC[C@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000072383438 205340410 /nfs/dbraw/zinc/34/04/10/205340410.db2.gz FENUMOPMKGWCEP-OAHLLOKOSA-N 0 0 385.537 4.038 40 0 GIABRN C[C@@H](Cn1cnc2ccccc21)C(=O)N1CCC[C@H](COc2ccccc2F)C1 ZINC000072390421 205341539 /nfs/dbraw/zinc/34/15/39/205341539.db2.gz HFOBRZXSJFVXOR-ROUUACIJSA-N 0 0 395.478 4.129 40 0 GIABRN O=C(Cc1ccc2c(c1)CCCO2)Nc1ccccc1OCCc1ccccn1 ZINC000072392117 205341930 /nfs/dbraw/zinc/34/19/30/205341930.db2.gz PCORBNNGDSHIHC-UHFFFAOYSA-N 0 0 388.467 4.209 40 0 GIABRN Cc1nn(-c2ccccc2)c2nc3c(cc12)CN(Cc1ccccc1F)C(=O)O3 ZINC000072396590 205343773 /nfs/dbraw/zinc/34/37/73/205343773.db2.gz UHVMBDYVFSNWAD-UHFFFAOYSA-N 0 0 388.402 4.383 40 0 GIABRN C[C@@H]1Cc2cc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)ccc2N1 ZINC000078404145 205374085 /nfs/dbraw/zinc/37/40/85/205374085.db2.gz RBLFPEDXPWMQPG-MRXNPFEDSA-N 0 0 378.497 4.111 40 0 GIABRN CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1ccccc1C ZINC000082086739 205385339 /nfs/dbraw/zinc/38/53/39/205385339.db2.gz VRFLGUPWALIDKC-NRFANRHFSA-N 0 0 377.488 4.497 40 0 GIABRN CC1(C)NC(=O)c2ccc(Nc3nc4c(-c5cccc(F)c5)cccn4n3)cc21 ZINC000095616928 205504198 /nfs/dbraw/zinc/50/41/98/205504198.db2.gz KRZGYOQJCVKWHG-UHFFFAOYSA-N 0 0 387.418 4.258 40 0 GIABRN Cn1cnc2c1cc(C1CCN(C(=O)c3ccco3)CC1)nc2-c1ccccc1 ZINC000096099932 205524345 /nfs/dbraw/zinc/52/43/45/205524345.db2.gz FUPSIEYPNOZRCL-UHFFFAOYSA-N 0 0 386.455 4.248 40 0 GIABRN Cc1nc2nnc3ccc(C(=O)Nc4ccc(C)nc4)cc3c2n1C1CCCC1 ZINC000096146622 205531502 /nfs/dbraw/zinc/53/15/02/205531502.db2.gz YMTGHRBQCOFKFO-UHFFFAOYSA-N 0 0 386.459 4.359 40 0 GIABRN O=C(NCc1cccnc1)c1cc(-c2ccn(-c3ccccc3)n2)n2ccccc12 ZINC000096154754 205536028 /nfs/dbraw/zinc/53/60/28/205536028.db2.gz PYPDEIKLKNNMQZ-UHFFFAOYSA-N 0 0 393.450 4.117 40 0 GIABRN C[C@@H]1CCCCN1C(=O)c1ccn(-c2ccc3ccc(-c4ccncc4)cn32)n1 ZINC000096155373 205536942 /nfs/dbraw/zinc/53/69/42/205536942.db2.gz NNAXIVXIGPDAJK-QGZVFWFLSA-N 0 0 385.471 4.202 40 0 GIABRN COc1cc(S(=O)(=O)Oc2ccnc3ccc(Cl)cc32)ccc1Cl ZINC000096305754 205557580 /nfs/dbraw/zinc/55/75/80/205557580.db2.gz RJGXGLLOWLAWBP-UHFFFAOYSA-N 0 0 384.240 4.318 40 0 GIABRN CCCc1nnc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)s1 ZINC000018890147 205674582 /nfs/dbraw/zinc/67/45/82/205674582.db2.gz QEJOFOIRCPCYIK-UHFFFAOYSA-N 0 0 378.910 4.449 40 0 GIABRN Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(N(C)C)cc1)OCO3 ZINC000000930057 205705205 /nfs/dbraw/zinc/70/52/05/205705205.db2.gz MMNSTCUCPCKBJU-UHFFFAOYSA-N 0 0 395.484 4.069 40 0 GIABRN Cc1ccc2[nH]c(=O)c(CN(C(=S)NCc3ccco3)C3CCCC3)cc2c1 ZINC000001224161 205707222 /nfs/dbraw/zinc/70/72/22/205707222.db2.gz YCGNJOKLFHQRAX-UHFFFAOYSA-N 0 0 395.528 4.249 40 0 GIABRN CCc1cccc(C)c1NC(=O)[C@H]1CCCN1C(=O)Nc1cccc(C(C)=O)c1 ZINC000001343674 205709623 /nfs/dbraw/zinc/70/96/23/205709623.db2.gz MFAPLIAUKDTMJP-HXUWFJFHSA-N 0 0 393.487 4.395 40 0 GIABRN CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C)c2C)c1 ZINC000001343584 205709664 /nfs/dbraw/zinc/70/96/64/205709664.db2.gz ROKOHWWCELWJJC-HXUWFJFHSA-N 0 0 379.460 4.141 40 0 GIABRN CCCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccccn1 ZINC000001362621 205711286 /nfs/dbraw/zinc/71/12/86/205711286.db2.gz OEUIDEXUYIWVMJ-UHFFFAOYSA-N 0 0 387.896 4.134 40 0 GIABRN COc1cccc(-c2noc([C@H]3CCCN(C(=O)CC4CCCCC4)C3)n2)c1 ZINC000001362463 205711900 /nfs/dbraw/zinc/71/19/00/205711900.db2.gz XIGYBARYJAZUKF-SFHVURJKSA-N 0 0 383.492 4.422 40 0 GIABRN O[C@@H]1[C@H](Cc2ccc(OC(F)F)cc2)SC(=S)N1Cc1ccccc1 ZINC000225392857 205689091 /nfs/dbraw/zinc/68/90/91/205689091.db2.gz GIQPGEWJDFGHGH-JKSUJKDBSA-N 0 0 381.469 4.051 40 0 GIABRN CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1F ZINC000000905065 205700450 /nfs/dbraw/zinc/70/04/50/205700450.db2.gz KDCLIECTFCRXQB-UHFFFAOYSA-N 0 0 399.495 4.088 40 0 GIABRN Cc1cc(OCc2nnc(SCC(=O)N3CCCC[C@@H]3C)o2)ccc1Cl ZINC000000905460 205701249 /nfs/dbraw/zinc/70/12/49/205701249.db2.gz SRCAWTJGRXKITO-ZDUSSCGKSA-N 0 0 395.912 4.104 40 0 GIABRN COc1ccc2cc(C)c3nnc(SCC(=O)N4[C@@H](C)CCC[C@@H]4C)n3c2c1 ZINC000000928423 205702481 /nfs/dbraw/zinc/70/24/81/205702481.db2.gz RWLLJJUGIQNWIN-GJZGRUSLSA-N 0 0 398.532 4.081 40 0 GIABRN CCCCN(C(=O)C(F)(F)F)[C@@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000004889936 205755096 /nfs/dbraw/zinc/75/50/96/205755096.db2.gz YVRTUICZPRYFSW-OAHLLOKOSA-N 0 0 390.471 4.429 40 0 GIABRN Cc1cccc(C(=O)N(Cc2cc3cc(C)ccc3n3nnnc23)C2CCCC2)c1 ZINC000004878408 205755587 /nfs/dbraw/zinc/75/55/87/205755587.db2.gz ALTYTSOSRRHBID-UHFFFAOYSA-N 0 0 399.498 4.479 40 0 GIABRN CCOc1ccc(-c2nnc(N(CCOC)C(=O)c3cccc(C)c3)s2)cc1 ZINC000004982643 205760503 /nfs/dbraw/zinc/76/05/03/205760503.db2.gz FHOQRJLPVNEYKU-UHFFFAOYSA-N 0 0 397.500 4.205 40 0 GIABRN O=C1CN=C(c2ccc(Br)cc2)c2c3c(sc2N1)CCCC3 ZINC000005522094 205768915 /nfs/dbraw/zinc/76/89/15/205768915.db2.gz HECQNGBFTJRANJ-UHFFFAOYSA-N 0 0 375.291 4.179 40 0 GIABRN Brc1ccc(C2=Nc3ccccc3C(c3cccnc3)=NN2)cc1 ZINC000006474940 205776819 /nfs/dbraw/zinc/77/68/19/205776819.db2.gz YVVCALJZBPJJGA-UHFFFAOYSA-N 0 0 377.245 4.278 40 0 GIABRN Cc1cccc(C)c1NC(=O)CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000008640486 205794764 /nfs/dbraw/zinc/79/47/64/205794764.db2.gz SLLIYMFMUXKVAU-UHFFFAOYSA-N 0 0 399.541 4.211 40 0 GIABRN Cc1ccc(Br)cc1N1C(=O)c2ccc(Br)cc2C1=O ZINC000000778009 205803873 /nfs/dbraw/zinc/80/38/73/205803873.db2.gz WBGANFCWHGKFRD-UHFFFAOYSA-N 0 0 395.050 4.321 40 0 GIABRN CCOC(=O)Cc1csc(NC(=O)/C=C/c2c(Cl)cccc2Cl)n1 ZINC000000957067 205806307 /nfs/dbraw/zinc/80/63/07/205806307.db2.gz JOXYTUOAZQZMPF-VOTSOKGWSA-N 0 0 385.272 4.207 40 0 GIABRN CN(C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2)c1ccccc1 ZINC000018209760 205913145 /nfs/dbraw/zinc/91/31/45/205913145.db2.gz HSNNGRZIBLGUMY-CZUORRHYSA-N 0 0 390.365 4.413 40 0 GIABRN Cc1ccc(SCCNC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 ZINC000219674586 205960704 /nfs/dbraw/zinc/96/07/04/205960704.db2.gz MYDVNVOATZXKRB-AWEZNQCLSA-N 0 0 394.334 4.433 40 0 GIABRN C[C@@H](Oc1cccc2ccccc21)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000219051092 205953273 /nfs/dbraw/zinc/95/32/73/205953273.db2.gz XULFKCBTPVPTGT-CQSZACIVSA-N 0 0 393.468 4.377 40 0 GIABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)c1 ZINC000219304178 205955305 /nfs/dbraw/zinc/95/53/05/205955305.db2.gz OTASGUIQWJJXCR-OAHLLOKOSA-N 0 0 399.878 4.399 40 0 GIABRN Cc1cc(NC[C@@H](O)c2cccc(O)c2)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000057710134 205958192 /nfs/dbraw/zinc/95/81/92/205958192.db2.gz RSVJOBREQBRMEE-LJQANCHMSA-N 0 0 394.862 4.209 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(C)c(C)c3)n2)cc1 ZINC000219522489 205958677 /nfs/dbraw/zinc/95/86/77/205958677.db2.gz GVILDUDRKFCTHK-KRWDZBQOSA-N 0 0 379.460 4.088 40 0 GIABRN O=C(Cc1ccc(Cl)cc1F)Nc1ccc(I)cc1 ZINC000222772056 205986677 /nfs/dbraw/zinc/98/66/77/205986677.db2.gz VBCYARFNPYNLTQ-UHFFFAOYSA-N 0 0 389.595 4.265 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222783897 205988400 /nfs/dbraw/zinc/98/84/00/205988400.db2.gz XQNCBGSANZNKNB-FQEVSTJZSA-N 0 0 394.559 4.486 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000222917886 205988693 /nfs/dbraw/zinc/98/86/93/205988693.db2.gz CWCTZLPKNBHONO-AWEZNQCLSA-N 0 0 393.314 4.089 40 0 GIABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)nc1 ZINC000222908589 205988957 /nfs/dbraw/zinc/98/89/57/205988957.db2.gz QEECSACFGIURKG-RTWAWAEBSA-N 0 0 391.544 4.204 40 0 GIABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 ZINC000222932433 205989355 /nfs/dbraw/zinc/98/93/55/205989355.db2.gz GSKOHPTUSOMOBP-SFTDATJTSA-N 0 0 392.528 4.206 40 0 GIABRN COc1cc(CNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)ccc1OC(C)C ZINC000223059059 205990527 /nfs/dbraw/zinc/99/05/27/205990527.db2.gz AHYVILFRAKIEIW-KRWDZBQOSA-N 0 0 397.515 4.445 40 0 GIABRN Cc1cccc(C)c1NC(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1 ZINC000223071631 205990811 /nfs/dbraw/zinc/99/08/11/205990811.db2.gz BIBDTAVXPQOIEV-UHFFFAOYSA-N 0 0 388.514 4.166 40 0 GIABRN C[C@H](NC(=O)c1ccc(I)cc1)c1ccc2c(c1)CCC2 ZINC000223158199 205993664 /nfs/dbraw/zinc/99/36/64/205993664.db2.gz RWUUEUXFXVKYPO-LBPRGKRZSA-N 0 0 391.252 4.271 40 0 GIABRN CC[C@@H](NC(=O)COc1cccc2c1CCCC2)c1ccc(OC)c(OC)c1 ZINC000223192895 205993978 /nfs/dbraw/zinc/99/39/78/205993978.db2.gz HFVVFGGQLXANGT-LJQANCHMSA-N 0 0 383.488 4.229 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)CSCc3ccccc3F)s2)cc1 ZINC000223225594 205995926 /nfs/dbraw/zinc/99/59/26/205995926.db2.gz GHWVUVYYMXBZFG-UHFFFAOYSA-N 0 0 389.477 4.225 40 0 GIABRN CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 ZINC000223340192 205996447 /nfs/dbraw/zinc/99/64/47/205996447.db2.gz KQTAYDFZWDVVRD-OALUTQOASA-N 0 0 380.517 4.404 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1C[C@@H]1CCCO1 ZINC000223326746 205996827 /nfs/dbraw/zinc/99/68/27/205996827.db2.gz QBWXCYYFNXVURZ-JBACZVJFSA-N 0 0 396.560 4.150 40 0 GIABRN CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCc1ccccc1)c1ccccc1 ZINC000223334930 205996918 /nfs/dbraw/zinc/99/69/18/205996918.db2.gz CWASNOIXUMFTMT-XMMPIXPASA-N 0 0 386.495 4.135 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000223405436 205999417 /nfs/dbraw/zinc/99/94/17/205999417.db2.gz NQSBVKRFGJCISJ-HXUWFJFHSA-N 0 0 384.495 4.090 40 0 GIABRN CCCOc1cc2c(cc1[C@@H]1[C@H](c3ccccn3)N=C3S[C@@H](C)CN31)OCO2 ZINC000222567339 205981427 /nfs/dbraw/zinc/98/14/27/205981427.db2.gz IKIPGGZFXIEIDM-QTJFZDIUSA-N 0 0 397.500 4.188 40 0 GIABRN CN(Cc1cccn1-c1ccccc1)C(=O)c1ccc2c(c1)nc(Cl)n2C ZINC000222559141 205981436 /nfs/dbraw/zinc/98/14/36/205981436.db2.gz USGWCQDJNVEXGB-UHFFFAOYSA-N 0 0 378.863 4.290 40 0 GIABRN Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccnc1 ZINC000222598209 205981598 /nfs/dbraw/zinc/98/15/98/205981598.db2.gz JOLBTLIYHUYHCJ-RVHYNSKXSA-N 0 0 389.528 4.473 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222625925 205982966 /nfs/dbraw/zinc/98/29/66/205982966.db2.gz USWLQCZRPDZENB-KRWDZBQOSA-N 0 0 384.495 4.045 40 0 GIABRN O=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000222649618 205983871 /nfs/dbraw/zinc/98/38/71/205983871.db2.gz ZOPAHFDLJAOKGE-UHFFFAOYSA-N 0 0 394.471 4.049 40 0 GIABRN CC(C)Sc1nnc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)s1 ZINC000222697994 205984482 /nfs/dbraw/zinc/98/44/82/205984482.db2.gz SPEDEVGAGBULET-LBPRGKRZSA-N 0 0 377.535 4.323 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1nc(-c2cccs2)no1 ZINC000223630943 206002899 /nfs/dbraw/zinc/00/28/99/206002899.db2.gz YIMHBSXUBRRXBJ-QGZVFWFLSA-N 0 0 397.500 4.151 40 0 GIABRN CCOc1ccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1Cl ZINC000223591070 206003112 /nfs/dbraw/zinc/00/31/12/206003112.db2.gz JXUWFUPWUXBIIP-UHFFFAOYSA-N 0 0 392.242 4.372 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1 ZINC000223609236 206003181 /nfs/dbraw/zinc/00/31/81/206003181.db2.gz WXUZRRJIEYNOJL-JOCHJYFZSA-N 0 0 380.532 4.261 40 0 GIABRN CC(C)(C)c1ccc(OCCNC(=O)Cc2cccc(Br)c2)cc1 ZINC000223662064 206004000 /nfs/dbraw/zinc/00/40/00/206004000.db2.gz QBHPDJCSCOWPQX-UHFFFAOYSA-N 0 0 390.321 4.484 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 ZINC000223655925 206004133 /nfs/dbraw/zinc/00/41/33/206004133.db2.gz VQVVRRKQQXSSLK-JOCHJYFZSA-N 0 0 380.532 4.261 40 0 GIABRN COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2c(C)cc(OC)cc2C)cc1 ZINC000223670219 206004718 /nfs/dbraw/zinc/00/47/18/206004718.db2.gz PDQNPYIQNXGECH-FQEVSTJZSA-N 0 0 391.533 4.386 40 0 GIABRN CC(C)c1ccccc1OCCNC(=O)COc1ccc(Br)cc1 ZINC000223780611 206005262 /nfs/dbraw/zinc/00/52/62/206005262.db2.gz NGSADEDWBXBUGG-UHFFFAOYSA-N 0 0 392.293 4.147 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C ZINC000223818062 206005292 /nfs/dbraw/zinc/00/52/92/206005292.db2.gz GAYAXCSNCIHNGX-QFIPXVFZSA-N 0 0 398.522 4.400 40 0 GIABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)cc1 ZINC000223755451 206005779 /nfs/dbraw/zinc/00/57/79/206005779.db2.gz YEXDAJDECYSEQZ-SFTDATJTSA-N 0 0 392.528 4.223 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C ZINC000223762244 206005788 /nfs/dbraw/zinc/00/57/88/206005788.db2.gz LMCKSSSIOXBTIE-KRWDZBQOSA-N 0 0 386.923 4.053 40 0 GIABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C)c2C)cc1 ZINC000223755584 206005989 /nfs/dbraw/zinc/00/59/89/206005989.db2.gz YEXDAJDECYSEQZ-NHCUHLMSSA-N 0 0 392.528 4.223 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 ZINC000223754020 206006026 /nfs/dbraw/zinc/00/60/26/206006026.db2.gz LTIRDFOATUGJRK-QGZVFWFLSA-N 0 0 386.923 4.134 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C ZINC000223762181 206006222 /nfs/dbraw/zinc/00/62/22/206006222.db2.gz LMCKSSSIOXBTIE-QGZVFWFLSA-N 0 0 386.923 4.053 40 0 GIABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl ZINC000223755300 206006410 /nfs/dbraw/zinc/00/64/10/206006410.db2.gz RTFZZUVREVINLF-QGZVFWFLSA-N 0 0 398.934 4.359 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1(c2ccccc2)CCOCC1 ZINC000224319339 206018537 /nfs/dbraw/zinc/01/85/37/206018537.db2.gz WZLATCIAIGFFGO-HXUWFJFHSA-N 0 0 395.499 4.162 40 0 GIABRN COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1Cl ZINC000223827791 206006913 /nfs/dbraw/zinc/00/69/13/206006913.db2.gz GHXNKDBDALYVAI-UHFFFAOYSA-N 0 0 394.663 4.234 40 0 GIABRN CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C ZINC000223853434 206007678 /nfs/dbraw/zinc/00/76/78/206007678.db2.gz MVJURAIEJJPNCB-NHCUHLMSSA-N 0 0 392.528 4.403 40 0 GIABRN O=C(Nc1ccc(F)cc1F)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223920089 206008644 /nfs/dbraw/zinc/00/86/44/206008644.db2.gz COHXZLILJDHONA-UHFFFAOYSA-N 0 0 388.395 4.018 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCC3=CCCCC3)c2)cc1 ZINC000223955365 206009553 /nfs/dbraw/zinc/00/95/53/206009553.db2.gz ZUFJCHKRZIGBID-UHFFFAOYSA-N 0 0 398.528 4.416 40 0 GIABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccs2)cc1 ZINC000223882641 206009600 /nfs/dbraw/zinc/00/96/00/206009600.db2.gz WEVOANVJZFDUAO-RBUKOAKNSA-N 0 0 380.542 4.386 40 0 GIABRN CCC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000224007019 206010036 /nfs/dbraw/zinc/01/00/36/206010036.db2.gz SHNQGPMAHGGLGO-AWEZNQCLSA-N 0 0 394.924 4.368 40 0 GIABRN CCC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000223996675 206010506 /nfs/dbraw/zinc/01/05/06/206010506.db2.gz YEMJKQZSJIWBIY-CQSZACIVSA-N 0 0 392.546 4.128 40 0 GIABRN CCC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223976141 206010823 /nfs/dbraw/zinc/01/08/23/206010823.db2.gz CXVNUJPHFKWQHW-ZDUSSCGKSA-N 0 0 380.897 4.059 40 0 GIABRN CCC(C)(C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224035209 206012141 /nfs/dbraw/zinc/01/21/41/206012141.db2.gz ORIOKAILPNIDEI-UHFFFAOYSA-N 0 0 380.897 4.059 40 0 GIABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSc1ccccc1 ZINC000224077573 206012211 /nfs/dbraw/zinc/01/22/11/206012211.db2.gz HBRIELWULBDZMD-LJQANCHMSA-N 0 0 398.572 4.358 40 0 GIABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000224110078 206013000 /nfs/dbraw/zinc/01/30/00/206013000.db2.gz LUJABLMXJNSHGD-QGZVFWFLSA-N 0 0 386.923 4.072 40 0 GIABRN COc1ccccc1CNC(=O)c1ccc(OC)c(COc2ccccc2)c1 ZINC000224091562 206013094 /nfs/dbraw/zinc/01/30/94/206013094.db2.gz WTMSCCUVXPBLSY-UHFFFAOYSA-N 0 0 377.440 4.213 40 0 GIABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000224115766 206013691 /nfs/dbraw/zinc/01/36/91/206013691.db2.gz NJIXDJBZZYYDPH-HSZRJFAPSA-N 0 0 392.543 4.485 40 0 GIABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000224092903 206014033 /nfs/dbraw/zinc/01/40/33/206014033.db2.gz GPQPEZMQJWITLO-AWEZNQCLSA-N 0 0 397.500 4.103 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224163668 206014516 /nfs/dbraw/zinc/01/45/16/206014516.db2.gz FJCBNMGTFQHEPR-NRFANRHFSA-N 0 0 394.559 4.344 40 0 GIABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000224146909 206015109 /nfs/dbraw/zinc/01/51/09/206015109.db2.gz LBLFNZMMELAIKW-QHCPKHFHSA-N 0 0 392.543 4.404 40 0 GIABRN Cc1ccc(OCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1C ZINC000224178604 206015182 /nfs/dbraw/zinc/01/51/82/206015182.db2.gz UJIYFOBWDBMSRZ-UHFFFAOYSA-N 0 0 388.316 4.109 40 0 GIABRN Cc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224178304 206015225 /nfs/dbraw/zinc/01/52/25/206015225.db2.gz VSHYHDNZQCUJFI-FQEVSTJZSA-N 0 0 380.532 4.117 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl ZINC000224179663 206015296 /nfs/dbraw/zinc/01/52/96/206015296.db2.gz MUKYWKMTNGIJPO-HXUWFJFHSA-N 0 0 386.923 4.134 40 0 GIABRN Cc1cc(C)cc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224142964 206015514 /nfs/dbraw/zinc/01/55/14/206015514.db2.gz PUAQNOXHTOHMKU-NRFANRHFSA-N 0 0 394.559 4.344 40 0 GIABRN COc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccc(Cl)c(C)c1 ZINC000224202923 206015742 /nfs/dbraw/zinc/01/57/42/206015742.db2.gz LHDOAIKSLDHHDT-GOSISDBHSA-N 0 0 389.879 4.145 40 0 GIABRN CC[C@@H](NS(=O)(=O)c1cc(Br)ccc1OC)c1ccccc1C ZINC000224221355 206016105 /nfs/dbraw/zinc/01/61/05/206016105.db2.gz PRKDNJJUELIBQU-OAHLLOKOSA-N 0 0 398.322 4.196 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C ZINC000224216863 206016201 /nfs/dbraw/zinc/01/62/01/206016201.db2.gz WZSJVZPWYUEUFJ-QFIPXVFZSA-N 0 0 380.532 4.098 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000224255069 206016210 /nfs/dbraw/zinc/01/62/10/206016210.db2.gz GLMGFCFAMHTZDW-QFIPXVFZSA-N 0 0 380.532 4.098 40 0 GIABRN COC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccc(Cl)c(C)c2)c1 ZINC000224212040 206016389 /nfs/dbraw/zinc/01/63/89/206016389.db2.gz AWWQCEJGFLLTGZ-AWEZNQCLSA-N 0 0 377.868 4.001 40 0 GIABRN CCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000224224437 206016553 /nfs/dbraw/zinc/01/65/53/206016553.db2.gz YQSNIWFDKIWKAU-OAQYLSRUSA-N 0 0 380.532 4.260 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 ZINC000224252088 206016764 /nfs/dbraw/zinc/01/67/64/206016764.db2.gz OYZXPSXSUMYGGI-JOCHJYFZSA-N 0 0 380.532 4.180 40 0 GIABRN CSc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)C(C)C ZINC000224266805 206017614 /nfs/dbraw/zinc/01/76/14/206017614.db2.gz IBTOBWXSZHZROV-UHFFFAOYSA-N 0 0 398.937 4.457 40 0 GIABRN CCC(CC)NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224275030 206017780 /nfs/dbraw/zinc/01/77/80/206017780.db2.gz LDKSBGDPZDCKLG-UHFFFAOYSA-N 0 0 394.924 4.084 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cccc(F)c3)c2)cc1 ZINC000224261039 206017944 /nfs/dbraw/zinc/01/79/44/206017944.db2.gz WSRNWBFKDIBMDA-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1 ZINC000223491697 206001247 /nfs/dbraw/zinc/00/12/47/206001247.db2.gz QJKBLTIMMUQWFU-VQTJNVASSA-N 0 0 391.544 4.206 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1Cc1ccncc1 ZINC000223483768 206001473 /nfs/dbraw/zinc/00/14/73/206001473.db2.gz ZZXSUBWLVOTKPB-DLBZAZTESA-N 0 0 386.933 4.364 40 0 GIABRN Cc1ccccc1OCCNC(=O)CSCc1ccc(Br)cc1 ZINC000223453814 206001514 /nfs/dbraw/zinc/00/15/14/206001514.db2.gz DUFARVHOJWSAKE-UHFFFAOYSA-N 0 0 394.334 4.186 40 0 GIABRN COc1ccc(C(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1Cl ZINC000223483418 206001735 /nfs/dbraw/zinc/00/17/35/206001735.db2.gz LFUISFQYBVLDSF-UHFFFAOYSA-N 0 0 392.242 4.324 40 0 GIABRN CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(CC)cc1 ZINC000225066027 206035327 /nfs/dbraw/zinc/03/53/27/206035327.db2.gz KDKANWFSIRLHCE-HXUWFJFHSA-N 0 0 394.559 4.168 40 0 GIABRN COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 ZINC000224374648 206019818 /nfs/dbraw/zinc/01/98/18/206019818.db2.gz UWWXWOJEGRADLP-ROUUACIJSA-N 0 0 385.504 4.478 40 0 GIABRN Cc1ccc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000224404943 206021171 /nfs/dbraw/zinc/02/11/71/206021171.db2.gz SQZGCIMKJVFDJC-UHFFFAOYSA-N 0 0 394.496 4.068 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000224547654 206021603 /nfs/dbraw/zinc/02/16/03/206021603.db2.gz MKQAIOARNJTRKH-HSZRJFAPSA-N 0 0 394.559 4.426 40 0 GIABRN Cc1ccc(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1C ZINC000224505119 206021956 /nfs/dbraw/zinc/02/19/56/206021956.db2.gz UFSPYAUJQNINSG-OAQYLSRUSA-N 0 0 394.559 4.078 40 0 GIABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1OC ZINC000224474534 206022912 /nfs/dbraw/zinc/02/29/12/206022912.db2.gz XGUWEHDDYMODGQ-GOSISDBHSA-N 0 0 379.909 4.415 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1 ZINC000224555495 206024001 /nfs/dbraw/zinc/02/40/01/206024001.db2.gz QXNPNURNCGHSDF-JOCHJYFZSA-N 0 0 380.532 4.117 40 0 GIABRN CCOc1ccc(C(=O)N2CCOCC2)cc1COc1ccccc1C(C)C ZINC000224569157 206024354 /nfs/dbraw/zinc/02/43/54/206024354.db2.gz FXZBITZNOJUPRK-UHFFFAOYSA-N 0 0 383.488 4.260 40 0 GIABRN Cc1cccc(OCCNC(=O)CCCN2c3cccc4cccc(c34)C2=O)c1 ZINC000224556457 206024559 /nfs/dbraw/zinc/02/45/59/206024559.db2.gz LADDPPGEESCDFK-UHFFFAOYSA-N 0 0 388.467 4.084 40 0 GIABRN CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224624561 206025132 /nfs/dbraw/zinc/02/51/32/206025132.db2.gz UQEZKCVODJYMBY-UHFFFAOYSA-N 0 0 378.252 4.356 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 ZINC000224659153 206025294 /nfs/dbraw/zinc/02/52/94/206025294.db2.gz UPQPZPPAJUZFGL-HSZRJFAPSA-N 0 0 394.559 4.426 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2ccc(F)c(F)c2)c(Cl)c1Cl ZINC000224627858 206026011 /nfs/dbraw/zinc/02/60/11/206026011.db2.gz FLGKYLSVXOITPU-UHFFFAOYSA-N 0 0 382.215 4.105 40 0 GIABRN CCOC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000224676421 206026531 /nfs/dbraw/zinc/02/65/31/206026531.db2.gz DJVYNWMERDRWLJ-UHFFFAOYSA-N 0 0 395.480 4.112 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C)c(C)c1 ZINC000225092098 206035849 /nfs/dbraw/zinc/03/58/49/206035849.db2.gz XZFKVEKQLLCTMF-QFIPXVFZSA-N 0 0 396.531 4.016 40 0 GIABRN CCCSc1nnc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)s1 ZINC000224797100 206027000 /nfs/dbraw/zinc/02/70/00/206027000.db2.gz YDJRVFKHPQXLDQ-GFCCVEGCSA-N 0 0 377.535 4.325 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl ZINC000224740017 206028025 /nfs/dbraw/zinc/02/80/25/206028025.db2.gz XQIYZCPJEYQVPI-KRWDZBQOSA-N 0 0 386.923 4.134 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)CCc2ncc(-c3cccc(OC)c3)o2)cc1 ZINC000224847843 206028993 /nfs/dbraw/zinc/02/89/93/206028993.db2.gz XTUOQGAXNBRUDF-UHFFFAOYSA-N 0 0 394.427 4.098 40 0 GIABRN CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000224812929 206029706 /nfs/dbraw/zinc/02/97/06/206029706.db2.gz RMKJINVEAHYFTG-UHFFFAOYSA-N 0 0 390.288 4.226 40 0 GIABRN CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000224879957 206031099 /nfs/dbraw/zinc/03/10/99/206031099.db2.gz WYPSLJXARGKXBA-UHFFFAOYSA-N 0 0 398.322 4.290 40 0 GIABRN C[C@@H]1Cc2ccccc2N1CCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000224991974 206031760 /nfs/dbraw/zinc/03/17/60/206031760.db2.gz QBVMVKOUSCQLNU-MRXNPFEDSA-N 0 0 386.923 4.455 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000224994583 206032097 /nfs/dbraw/zinc/03/20/97/206032097.db2.gz NBUYNQBYCQVAKI-IRXDYDNUSA-N 0 0 386.923 4.215 40 0 GIABRN CCC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224963182 206032156 /nfs/dbraw/zinc/03/21/56/206032156.db2.gz HOEVWYRXVTZUIZ-QFIPXVFZSA-N 0 0 396.506 4.234 40 0 GIABRN C[C@H]1Cc2ccccc2N1CCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000224992017 206032269 /nfs/dbraw/zinc/03/22/69/206032269.db2.gz QBVMVKOUSCQLNU-INIZCTEOSA-N 0 0 386.923 4.455 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cccc(C)c1C ZINC000225009905 206032276 /nfs/dbraw/zinc/03/22/76/206032276.db2.gz GQHYQOSEJKSJDN-AZUAARDMSA-N 0 0 396.531 4.014 40 0 GIABRN CCOC(=O)c1ccc(C)c(N(CC)S(=O)(=O)c2ccc(SC)cc2)c1 ZINC000224993759 206032327 /nfs/dbraw/zinc/03/23/27/206032327.db2.gz QVRMSLDKSXEKBB-UHFFFAOYSA-N 0 0 393.530 4.109 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000225003005 206032469 /nfs/dbraw/zinc/03/24/69/206032469.db2.gz HOFCNSZSGJOKIZ-UXHICEINSA-N 0 0 380.532 4.178 40 0 GIABRN CCc1ccc(CC)c(CNC(=O)c2cccc(I)c2)c1 ZINC000224969178 206033038 /nfs/dbraw/zinc/03/30/38/206033038.db2.gz MJIRSDWZMAVAOY-UHFFFAOYSA-N 0 0 393.268 4.346 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000224966905 206033125 /nfs/dbraw/zinc/03/31/25/206033125.db2.gz AKKMFKCUPXFBND-HSZRJFAPSA-N 0 0 394.559 4.160 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 ZINC000225052534 206033519 /nfs/dbraw/zinc/03/35/19/206033519.db2.gz XFTOHKNGULJWTG-RTWAWAEBSA-N 0 0 394.559 4.486 40 0 GIABRN Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)c(I)c1 ZINC000225029112 206033639 /nfs/dbraw/zinc/03/36/39/206033639.db2.gz LGXAXCZPDIOPFS-UHFFFAOYSA-N 0 0 399.659 4.226 40 0 GIABRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1 ZINC000225033361 206033736 /nfs/dbraw/zinc/03/37/36/206033736.db2.gz CEDLLGMBWGMOLE-NHCUHLMSSA-N 0 0 392.528 4.458 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)COc1ccc(OC)cc1 ZINC000225030464 206033919 /nfs/dbraw/zinc/03/39/19/206033919.db2.gz UJBOQQVWONFVME-UZUQRXQVSA-N 0 0 397.515 4.315 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1C ZINC000225052113 206034193 /nfs/dbraw/zinc/03/41/93/206034193.db2.gz UEDRZNRTRQNNOH-WOJBJXKFSA-N 0 0 380.532 4.178 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 ZINC000225092199 206036156 /nfs/dbraw/zinc/03/61/56/206036156.db2.gz VMNYAQIQJUFNDJ-QFIPXVFZSA-N 0 0 396.531 4.179 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C ZINC000225083338 206036187 /nfs/dbraw/zinc/03/61/87/206036187.db2.gz GUHUGXXPRZAVRT-LEWJYISDSA-N 0 0 394.559 4.486 40 0 GIABRN CCOc1ccc(C(=O)Nc2nnc(SCC(C)C)s2)cc1OCC ZINC000225067445 206034975 /nfs/dbraw/zinc/03/49/75/206034975.db2.gz ZABPJIHHTYTDSP-UHFFFAOYSA-N 0 0 381.523 4.336 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225077865 206035007 /nfs/dbraw/zinc/03/50/07/206035007.db2.gz IRTVHRIVESJOHL-SFTDATJTSA-N 0 0 394.559 4.486 40 0 GIABRN CCn1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3ccccc3Cl)ccc21 ZINC000225103093 206036929 /nfs/dbraw/zinc/03/69/29/206036929.db2.gz DUPUFRUKLPPKJI-LLVKDONJSA-N 0 0 376.865 4.142 40 0 GIABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCC2=CCCCC2)cc1 ZINC000225102736 206037225 /nfs/dbraw/zinc/03/72/25/206037225.db2.gz HCJMTBLRLLHSAB-ZHZULCJRSA-N 0 0 396.512 4.144 40 0 GIABRN CCn1c(=O)sc2cc(NC(=O)COc3cc(C)c(Cl)c(C)c3)ccc21 ZINC000225101854 206037578 /nfs/dbraw/zinc/03/75/78/206037578.db2.gz CGTCYWMPKGTDSI-UHFFFAOYSA-N 0 0 390.892 4.371 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225092822 206037931 /nfs/dbraw/zinc/03/79/31/206037931.db2.gz GRCPLLBFFLKIRV-SFTDATJTSA-N 0 0 394.559 4.486 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1 ZINC000225161509 206039503 /nfs/dbraw/zinc/03/95/03/206039503.db2.gz LMMMNVRSPBMBPY-QFIPXVFZSA-N 0 0 396.531 4.016 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1 ZINC000225161408 206039627 /nfs/dbraw/zinc/03/96/27/206039627.db2.gz XOQKIWGAANTKMF-QFIPXVFZSA-N 0 0 396.531 4.016 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1 ZINC000225192012 206040730 /nfs/dbraw/zinc/04/07/30/206040730.db2.gz PZCGCTBMCPRTGJ-JOCHJYFZSA-N 0 0 396.531 4.016 40 0 GIABRN CC(C)[C@@H](C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000225185261 206040757 /nfs/dbraw/zinc/04/07/57/206040757.db2.gz ZDTQGVVEOHHMMS-OPAMFIHVSA-N 0 0 382.529 4.235 40 0 GIABRN COc1ccc(-c2c(N)n(-c3ccc(C)cc3)nc2C(F)(F)F)cc1OC ZINC000225182486 206040836 /nfs/dbraw/zinc/04/08/36/206040836.db2.gz RUQGYIUORVYRSE-UHFFFAOYSA-N 0 0 377.366 4.466 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 ZINC000225238139 206041344 /nfs/dbraw/zinc/04/13/44/206041344.db2.gz MGXHHOOLAYBCIA-ZWKOTPCHSA-N 0 0 384.495 4.009 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C ZINC000225246835 206041500 /nfs/dbraw/zinc/04/15/00/206041500.db2.gz JBGUTBJWVPOJEA-ZWKOTPCHSA-N 0 0 384.495 4.009 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000225261418 206041571 /nfs/dbraw/zinc/04/15/71/206041571.db2.gz LFZDTKKFRQESNK-OAQYLSRUSA-N 0 0 380.488 4.063 40 0 GIABRN O=C(c1ccccc1F)N1CCS/C1=C\c1nc(-c2ccccc2F)no1 ZINC000225243141 206041634 /nfs/dbraw/zinc/04/16/34/206041634.db2.gz LLKFCHQFFREQDE-GZTJUZNOSA-N 0 0 385.395 4.202 40 0 GIABRN COc1ccccc1C(=O)N1CCS/C1=C\c1csc(-c2cccnc2)n1 ZINC000225262016 206042178 /nfs/dbraw/zinc/04/21/78/206042178.db2.gz HLJFPECJQREBNK-WOJGMQOQSA-N 0 0 395.509 4.401 40 0 GIABRN CCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1F ZINC000225231983 206042436 /nfs/dbraw/zinc/04/24/36/206042436.db2.gz KMJZEUMKGZJHCN-UHFFFAOYSA-N 0 0 394.899 4.491 40 0 GIABRN C[C@]1(c2ccc(Cl)cc2)NC(=S)N(c2ccc(Br)cc2)N1 ZINC000225341835 206043841 /nfs/dbraw/zinc/04/38/41/206043841.db2.gz AOKBOQVKWUAHGN-HNNXBMFYSA-N 0 0 382.714 4.175 40 0 GIABRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CC ZINC000225369619 206043910 /nfs/dbraw/zinc/04/39/10/206043910.db2.gz KMPZYDSFTAWTBE-QFIPXVFZSA-N 0 0 380.532 4.261 40 0 GIABRN CC1(C)COc2ccc(C(=O)Nc3ccc(Br)cc3)cc2OC1 ZINC000225359680 206044440 /nfs/dbraw/zinc/04/44/40/206044440.db2.gz VAFCRQYDWCTQAU-UHFFFAOYSA-N 0 0 376.250 4.499 40 0 GIABRN COC(=O)c1ccc(OC)c(NC(=O)CCc2ccc(Cl)cc2Cl)c1 ZINC000225379456 206044741 /nfs/dbraw/zinc/04/47/41/206044741.db2.gz AVSVPZBBYRRXTA-UHFFFAOYSA-N 0 0 382.243 4.360 40 0 GIABRN Cc1cccc(CCCNC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)c1 ZINC000225393802 206045279 /nfs/dbraw/zinc/04/52/79/206045279.db2.gz AUNKYCUKVSXRLI-UHFFFAOYSA-N 0 0 381.545 4.349 40 0 GIABRN COc1ccc(C(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1F ZINC000225397281 206045598 /nfs/dbraw/zinc/04/55/98/206045598.db2.gz QJHVSTYPKHMLIA-UHFFFAOYSA-N 0 0 383.423 4.112 40 0 GIABRN CCOc1ccc(CNC(=S)Nc2ccc(Br)cc2F)cc1 ZINC000225431108 206047185 /nfs/dbraw/zinc/04/71/85/206047185.db2.gz YGFCJEYRIODHPG-UHFFFAOYSA-N 0 0 383.286 4.474 40 0 GIABRN COc1ccc2cc(S(=O)(=O)NCCSCc3ccccc3)ccc2c1 ZINC000225428406 206047335 /nfs/dbraw/zinc/04/73/35/206047335.db2.gz CDJJBYZIBNDYDQ-UHFFFAOYSA-N 0 0 387.526 4.060 40 0 GIABRN O=C(Cc1ccccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000225438630 206047645 /nfs/dbraw/zinc/04/76/45/206047645.db2.gz LZVRWYDEPLDGFN-UHFFFAOYSA-N 0 0 382.813 4.250 40 0 GIABRN CCOc1ccccc1CNC(=S)Nc1ccc(Br)cc1F ZINC000225442656 206048652 /nfs/dbraw/zinc/04/86/52/206048652.db2.gz KIHQMOXLQXZZID-UHFFFAOYSA-N 0 0 383.286 4.474 40 0 GIABRN Cc1ccc(NC(=S)NCc2ccc(OC(C)C)cc2)cc1N1CCCC1=O ZINC000225447832 206048919 /nfs/dbraw/zinc/04/89/19/206048919.db2.gz ARRINIGSPXKLCD-UHFFFAOYSA-N 0 0 397.544 4.396 40 0 GIABRN COc1ccc([C@@H](C)NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 ZINC000225466586 206049289 /nfs/dbraw/zinc/04/92/89/206049289.db2.gz CSGQHFNXLXATLS-OAHLLOKOSA-N 0 0 383.517 4.178 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000225449659 206050043 /nfs/dbraw/zinc/05/00/43/206050043.db2.gz BRSNSUGVINLELR-SFTDATJTSA-N 0 0 394.559 4.220 40 0 GIABRN CCOC(=O)c1cc(NC(=O)COc2ccc3c(c2)CCCC3)ccc1Cl ZINC000225463595 206050138 /nfs/dbraw/zinc/05/01/38/206050138.db2.gz KHNIXSCHFQAVLQ-UHFFFAOYSA-N 0 0 387.863 4.413 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000225484359 206051156 /nfs/dbraw/zinc/05/11/56/206051156.db2.gz ONOGUAQYKAHTLA-UGKGYDQZSA-N 0 0 380.532 4.260 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000225492356 206051473 /nfs/dbraw/zinc/05/14/73/206051473.db2.gz VFDMYVTYTDMBJW-UGKGYDQZSA-N 0 0 380.532 4.260 40 0 GIABRN Cc1ccccc1CN(C(=O)CSc1ccccc1)[C@@H](C)C(=O)NC(C)C ZINC000225477281 206051504 /nfs/dbraw/zinc/05/15/04/206051504.db2.gz DYJJGTWGTJJSIX-SFHVURJKSA-N 0 0 384.545 4.029 40 0 GIABRN CC[C@@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(OC)cc1 ZINC000225490565 206051888 /nfs/dbraw/zinc/05/18/88/206051888.db2.gz PIEVNHWRGWWSCP-LJQANCHMSA-N 0 0 383.517 4.260 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCc1ccccc1 ZINC000225721315 206068936 /nfs/dbraw/zinc/06/89/36/206068936.db2.gz PUAFJYXAMFSWBC-JOCHJYFZSA-N 0 0 380.532 4.260 40 0 GIABRN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 ZINC000225711176 206069654 /nfs/dbraw/zinc/06/96/54/206069654.db2.gz NFBVNXWQBZTXDQ-JKSUJKDBSA-N 0 0 383.488 4.227 40 0 GIABRN COC(=O)c1ccc(C)c(NC(=S)N[C@@H]2CCCc3cc(OC)ccc32)c1 ZINC000225703517 206069754 /nfs/dbraw/zinc/06/97/54/206069754.db2.gz WFFGQELZGDQWNW-GOSISDBHSA-N 0 0 384.501 4.154 40 0 GIABRN CC[C@@H](NC(=S)Nc1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 ZINC000225718480 206069870 /nfs/dbraw/zinc/06/98/70/206069870.db2.gz BZDHXFIPQMVZMQ-OAHLLOKOSA-N 0 0 390.505 4.159 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225528781 206054897 /nfs/dbraw/zinc/05/48/97/206054897.db2.gz IGEYWKFRMKCYBK-HXUWFJFHSA-N 0 0 380.532 4.096 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225534305 206055484 /nfs/dbraw/zinc/05/54/84/206055484.db2.gz CSAQRKARGAGAIC-KRWDZBQOSA-N 0 0 386.923 4.133 40 0 GIABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 ZINC000225536733 206055835 /nfs/dbraw/zinc/05/58/35/206055835.db2.gz RQDACHADGDVJLA-QGZVFWFLSA-N 0 0 386.923 4.215 40 0 GIABRN CCOC(=O)c1cc(NC(=S)NCCOc2ccc(C)cc2)ccc1Cl ZINC000225562979 206056708 /nfs/dbraw/zinc/05/67/08/206056708.db2.gz YBIYKDMVCKZQRK-UHFFFAOYSA-N 0 0 392.908 4.191 40 0 GIABRN CN(C)C(=O)c1ccc(NC(=S)NCCCSC2CCCCC2)cc1 ZINC000225591997 206058291 /nfs/dbraw/zinc/05/82/91/206058291.db2.gz KUGFMGDQAGFUEG-UHFFFAOYSA-N 0 0 379.595 4.131 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)NCCCSCc2ccco2)c1 ZINC000225594456 206059632 /nfs/dbraw/zinc/05/96/32/206059632.db2.gz WKTVZIUHZKVBCX-UHFFFAOYSA-N 0 0 378.519 4.066 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000225642742 206061876 /nfs/dbraw/zinc/06/18/76/206061876.db2.gz OIIRJBPXSHQZSF-LAUBAEHRSA-N 0 0 384.495 4.090 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000225642772 206062588 /nfs/dbraw/zinc/06/25/88/206062588.db2.gz OIIRJBPXSHQZSF-UTKZUKDTSA-N 0 0 384.495 4.090 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)COc2ccc(C)cc2)c1 ZINC000225642041 206062617 /nfs/dbraw/zinc/06/26/17/206062617.db2.gz KOTCZRDRRMNNLS-CYBMUJFWSA-N 0 0 392.908 4.189 40 0 GIABRN CCc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Br)cc2)cc1 ZINC000225631293 206063110 /nfs/dbraw/zinc/06/31/10/206063110.db2.gz YGZCCQFPDABMBD-CYBMUJFWSA-N 0 0 382.323 4.192 40 0 GIABRN CCOc1ccc(CCCNC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000225622878 206063224 /nfs/dbraw/zinc/06/32/24/206063224.db2.gz XHXLDRGHHPRVDE-UHFFFAOYSA-N 0 0 397.544 4.131 40 0 GIABRN CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1 ZINC000225658181 206063790 /nfs/dbraw/zinc/06/37/90/206063790.db2.gz QXYHQSMPYYKJGT-KRWDZBQOSA-N 0 0 386.923 4.072 40 0 GIABRN COc1ccc(-c2noc(CNC(=O)c3cc(C(C)C)c(OC)cc3C)n2)cc1 ZINC000225669945 206066243 /nfs/dbraw/zinc/06/62/43/206066243.db2.gz LUNGAGYIZSENFW-UHFFFAOYSA-N 0 0 395.459 4.116 40 0 GIABRN CCn1c2ccc(S(=O)(=O)Nc3ccccc3C(C)C)cc2sc1=O ZINC000225690558 206067575 /nfs/dbraw/zinc/06/75/75/206067575.db2.gz YAWSFWQIPBYSIC-UHFFFAOYSA-N 0 0 376.503 4.007 40 0 GIABRN CCOc1cc(CNC(=S)Nc2ccc(Br)cc2)ccc1OC ZINC000225770094 206074331 /nfs/dbraw/zinc/07/43/31/206074331.db2.gz OPXSJMDYVSEVIW-UHFFFAOYSA-N 0 0 395.322 4.343 40 0 GIABRN O=C(Nc1ccccc1F)c1snnc1-c1ccc(Br)cc1 ZINC000225783323 206075778 /nfs/dbraw/zinc/07/57/78/206075778.db2.gz UHGOYFROGIWFPA-UHFFFAOYSA-N 0 0 378.226 4.359 40 0 GIABRN O=C(Nc1ccc(F)cc1)c1snnc1-c1ccc(Br)cc1 ZINC000225783379 206076184 /nfs/dbraw/zinc/07/61/84/206076184.db2.gz UTRDMVRRPMAWNZ-UHFFFAOYSA-N 0 0 378.226 4.359 40 0 GIABRN COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)c1 ZINC000225790239 206076384 /nfs/dbraw/zinc/07/63/84/206076384.db2.gz HULPIDCZQBBFNU-MRXNPFEDSA-N 0 0 386.517 4.152 40 0 GIABRN Cc1ccc(CNC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000225802577 206077402 /nfs/dbraw/zinc/07/74/02/206077402.db2.gz JQUAVYMVZIRQSP-UHFFFAOYSA-N 0 0 389.377 4.313 40 0 GIABRN Cc1ccc(-c2noc(CNC(=S)Nc3ccc(F)c(Cl)c3)n2)cc1 ZINC000225817245 206078501 /nfs/dbraw/zinc/07/85/01/206078501.db2.gz JBMWFVGSGGXWST-UHFFFAOYSA-N 0 0 376.844 4.324 40 0 GIABRN O=C(CCc1nc(-c2cccc3ccccc32)no1)Nc1ccc2c(c1)OCO2 ZINC000225828925 206078534 /nfs/dbraw/zinc/07/85/34/206078534.db2.gz ITGSLEIIHMRSBH-UHFFFAOYSA-N 0 0 387.395 4.190 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCCc2ccc(C(C)C)cc2)c(C)c1 ZINC000225816805 206078547 /nfs/dbraw/zinc/07/85/47/206078547.db2.gz CLJGIMQKGPQZJM-UHFFFAOYSA-N 0 0 375.534 4.347 40 0 GIABRN Cc1ccc(NC(=O)CCc2nc(-c3ccc(Br)cc3)no2)cc1 ZINC000225818390 206078886 /nfs/dbraw/zinc/07/88/86/206078886.db2.gz PEPRGHXTMMINHG-UHFFFAOYSA-N 0 0 386.249 4.379 40 0 GIABRN CCOc1ccc(-c2noc(CNC(=S)Nc3ccc(C)cc3C)n2)cc1 ZINC000225829697 206079072 /nfs/dbraw/zinc/07/90/72/206079072.db2.gz ONHOFPMZBZOGRK-UHFFFAOYSA-N 0 0 382.489 4.239 40 0 GIABRN CCOc1ccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000225818717 206079087 /nfs/dbraw/zinc/07/90/87/206079087.db2.gz NZWWFKLTEDBBMB-UHFFFAOYSA-N 0 0 388.880 4.275 40 0 GIABRN COc1ccc(CNC(=O)CCc2nc(-c3cccc4ccccc43)no2)cc1 ZINC000225827366 206079185 /nfs/dbraw/zinc/07/91/85/206079185.db2.gz BNZJVSXVELRLJJ-UHFFFAOYSA-N 0 0 387.439 4.147 40 0 GIABRN CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 ZINC000225818584 206079229 /nfs/dbraw/zinc/07/92/29/206079229.db2.gz MQEPPGHKZQIWOT-VFNWGFHPSA-N 0 0 379.497 4.430 40 0 GIABRN CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)Cc1cccc(Cl)c1 ZINC000225821327 206079239 /nfs/dbraw/zinc/07/92/39/206079239.db2.gz XWTPHDDXLBJGBN-UHFFFAOYSA-N 0 0 376.243 4.245 40 0 GIABRN COc1cccc(-c2noc(CNC(=S)Nc3ccc(C(C)C)cc3)n2)c1 ZINC000225821785 206079324 /nfs/dbraw/zinc/07/93/24/206079324.db2.gz DPCOUKAGOGHFSV-UHFFFAOYSA-N 0 0 382.489 4.355 40 0 GIABRN COc1ccc(C)cc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000225840387 206080326 /nfs/dbraw/zinc/08/03/26/206080326.db2.gz ZNAUPHQHLYHODY-RGEXLXHISA-N 0 0 376.412 4.006 40 0 GIABRN CCCOc1ccc(NC(=O)C2(OCCC)CCCCC2)cc1C(=O)OC ZINC000225851258 206080504 /nfs/dbraw/zinc/08/05/04/206080504.db2.gz QVBDJWLCIYSYDD-UHFFFAOYSA-N 0 0 377.481 4.330 40 0 GIABRN CCOc1ccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000225832695 206080731 /nfs/dbraw/zinc/08/07/31/206080731.db2.gz PKIIRTZGJJDQND-UHFFFAOYSA-N 0 0 388.880 4.275 40 0 GIABRN CCCO[C@@](C)(C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1)C1CC1 ZINC000225857683 206082043 /nfs/dbraw/zinc/08/20/43/206082043.db2.gz NWOSRUWLBNZJFL-SPLOXXLWSA-N 0 0 377.481 4.184 40 0 GIABRN Cc1cc(NC(=S)NC2(c3ccncc3)CCCC2)ccc1N1CCCC1=O ZINC000225869646 206082254 /nfs/dbraw/zinc/08/22/54/206082254.db2.gz LJCGHCHJLRLCJW-UHFFFAOYSA-N 0 0 394.544 4.273 40 0 GIABRN CC[C@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccc(OC)c(OC)c1 ZINC000225875107 206082950 /nfs/dbraw/zinc/08/29/50/206082950.db2.gz IDFCMXVDQOHZCH-FQEVSTJZSA-N 0 0 383.488 4.229 40 0 GIABRN CCCO[C@@](C)(C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1)C1CC1 ZINC000225857955 206083058 /nfs/dbraw/zinc/08/30/58/206083058.db2.gz NPPPXQHYMVECCR-OAQYLSRUSA-N 0 0 377.481 4.184 40 0 GIABRN CCc1nc2cc(C(=O)N3c4ccc(Br)cc4C[C@H]3C)ccc2n1C ZINC000225894758 206083667 /nfs/dbraw/zinc/08/36/67/206083667.db2.gz RBEDFHWYEMCQHW-GFCCVEGCSA-N 0 0 398.304 4.490 40 0 GIABRN COc1ccc(NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)c(OC)c1 ZINC000225917911 206084390 /nfs/dbraw/zinc/08/43/90/206084390.db2.gz OOSNSCULJLOLLR-UHFFFAOYSA-N 0 0 378.432 4.107 40 0 GIABRN CCCOC1(C(=O)Nc2ccc(OCCOCC)nc2C)CCC(C)CC1 ZINC000225912427 206084425 /nfs/dbraw/zinc/08/44/25/206084425.db2.gz WSYPUPUODSAABB-UHFFFAOYSA-N 0 0 378.513 4.119 40 0 GIABRN C[C@@H]1C[C@@H](C)CN(c2cc(C(F)(F)F)nc(NC(=S)NC(C)(C)C)n2)C1 ZINC000225896441 206084698 /nfs/dbraw/zinc/08/46/98/206084698.db2.gz PGEIESZWKJBQBZ-GHMZBOCLSA-N 0 0 389.491 4.063 40 0 GIABRN CCOC(=O)COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1 ZINC000225933246 206085224 /nfs/dbraw/zinc/08/52/24/206085224.db2.gz NEQOYVTWRCCAND-UHFFFAOYSA-N 0 0 381.472 4.387 40 0 GIABRN S=C(NCc1ccccc1)Nc1nc(Cl)cc(N2Cc3ccccc3C2)n1 ZINC000225929782 206086206 /nfs/dbraw/zinc/08/62/06/206086206.db2.gz PXVQNLOIBIDONS-UHFFFAOYSA-N 0 0 395.919 4.137 40 0 GIABRN C[C@@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)NC3CCCCC3)n2)C1 ZINC000226009502 206086603 /nfs/dbraw/zinc/08/66/03/206086603.db2.gz RXNXYJIYXCWVHG-CHWSQXEVSA-N 0 0 381.977 4.231 40 0 GIABRN COc1cc(N2Cc3ccccc3C2)nc(NC(=S)NC2CCCCCC2)n1 ZINC000226009694 206086723 /nfs/dbraw/zinc/08/67/23/206086723.db2.gz QPOHUAPTUDBPBF-UHFFFAOYSA-N 0 0 397.548 4.015 40 0 GIABRN COc1cc(Cl)nc(NC(=S)NCC2(c3ccccc3)CCCCC2)n1 ZINC000225984375 206087168 /nfs/dbraw/zinc/08/71/68/206087168.db2.gz OIOBLRRUBYPEGG-UHFFFAOYSA-N 0 0 390.940 4.327 40 0 GIABRN C[C@@H]1CCCN(c2cc(Cl)nc(NC(=S)NC3CCCCCC3)n2)C1 ZINC000226011295 206087448 /nfs/dbraw/zinc/08/74/48/206087448.db2.gz AZJGCDVTXZMJDG-CYBMUJFWSA-N 0 0 381.977 4.376 40 0 GIABRN O=C(CCNC(=O)c1ccc2oc(Cl)nc2c1)Nc1cccc2ccccc21 ZINC000225980288 206087702 /nfs/dbraw/zinc/08/77/02/206087702.db2.gz SHEKYXADCMJCOT-UHFFFAOYSA-N 0 0 393.830 4.393 40 0 GIABRN CCc1nccn1CC(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257201503 206158335 /nfs/dbraw/zinc/15/83/35/206158335.db2.gz AHXQWXKJWURHLQ-SFHVURJKSA-N 0 0 398.894 4.041 40 0 GIABRN O=C(c1ncccn1)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257223088 206161892 /nfs/dbraw/zinc/16/18/92/206161892.db2.gz DVVFLLXVFRWZDL-KRWDZBQOSA-N 0 0 382.851 4.076 40 0 GIABRN COC(=O)[C@@H](C)COc1ccc(Oc2nnc(-c3cccc(F)c3)s2)cc1 ZINC000255187338 206150965 /nfs/dbraw/zinc/15/09/65/206150965.db2.gz CVCHKKLUSWCAFA-LBPRGKRZSA-N 0 0 388.420 4.324 40 0 GIABRN CCn1cc(CN2CCO[C@H](c3cccc(Cc4ccccc4C)n3)C2)c(C)n1 ZINC000257284274 206173794 /nfs/dbraw/zinc/17/37/94/206173794.db2.gz PBZXWYWGANOVQZ-DEOSSOPVSA-N 0 0 390.531 4.079 40 0 GIABRN CC(C)n1nccc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257312982 206178294 /nfs/dbraw/zinc/17/82/94/206178294.db2.gz UQMNTVZRAWCEDH-GOSISDBHSA-N 0 0 382.439 4.159 40 0 GIABRN Cc1noc(C)c1-c1cc(C2CCN(C(=O)c3ccc(O)cc3)CC2)ccn1 ZINC000257298157 206174875 /nfs/dbraw/zinc/17/48/75/206174875.db2.gz RKKSIBCQNRCJSU-UHFFFAOYSA-N 0 0 377.444 4.079 40 0 GIABRN O=C(N1CCC[C@H](Cc2cccnc2)C1)C1(Cc2ccccc2F)CCOCC1 ZINC000257317934 206177942 /nfs/dbraw/zinc/17/79/42/206177942.db2.gz VLTYQNORJBPRAG-HXUWFJFHSA-N 0 0 396.506 4.041 40 0 GIABRN CCC(CC)C(=O)N1CC[C@@H](c2ccnc3ncc(-c4ccc(F)cc4)n32)C1 ZINC000257232219 206163284 /nfs/dbraw/zinc/16/32/84/206163284.db2.gz GJWGFLWRWBEXNP-QGZVFWFLSA-N 0 0 380.467 4.288 40 0 GIABRN Cc1cnc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cn1 ZINC000257238901 206164294 /nfs/dbraw/zinc/16/42/94/206164294.db2.gz HNAIESDZVNHVQO-LJQANCHMSA-N 0 0 396.878 4.385 40 0 GIABRN O=C(c1n[nH]c2ccccc21)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257240738 206164351 /nfs/dbraw/zinc/16/43/51/206164351.db2.gz HUYHMCFHNDPZNF-KRWDZBQOSA-N 0 0 386.455 4.162 40 0 GIABRN COc1ccc(CCN2CCO[C@@H](c3cccc(Cc4ccccc4)n3)C2)cc1 ZINC000257237653 206164885 /nfs/dbraw/zinc/16/48/85/206164885.db2.gz HHMMPOCQBCRLLG-RUZDIDTESA-N 0 0 388.511 4.297 40 0 GIABRN Cc1noc(C)c1-c1cc(C2CCN(C(=O)c3ccc(C)nc3)CC2)ccn1 ZINC000257247697 206165931 /nfs/dbraw/zinc/16/59/31/206165931.db2.gz JABMBQCTWFEHLH-UHFFFAOYSA-N 0 0 376.460 4.077 40 0 GIABRN CCC(=O)N1CCO[C@@H](c2cc(Cc3cccc(C(F)(F)F)c3)cc(C)n2)C1 ZINC000257257391 206167649 /nfs/dbraw/zinc/16/76/49/206167649.db2.gz KPKFYPNUKZCPMD-LJQANCHMSA-N 0 0 392.421 4.310 40 0 GIABRN Cc1noc(C)c1-c1cnc(C2CCN(C(=O)CCc3ccccc3)CC2)cn1 ZINC000257259408 206168062 /nfs/dbraw/zinc/16/80/62/206168062.db2.gz KYFUMFJQVYUNDP-UHFFFAOYSA-N 0 0 390.487 4.087 40 0 GIABRN Clc1ccccc1CN1CCO[C@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257267612 206169497 /nfs/dbraw/zinc/16/94/97/206169497.db2.gz MIBFLQCPHCXEBD-IBGZPJMESA-N 0 0 380.879 4.447 40 0 GIABRN COCCC(=O)N[C@@]1(C)C[C@H](c2ccccc2O)O[C@H](c2ccc(F)cc2)C1 ZINC000257266733 206169872 /nfs/dbraw/zinc/16/98/72/206169872.db2.gz MEFUNMAEFJCUAS-TUNNFDKTSA-N 0 0 387.451 4.036 40 0 GIABRN Cc1noc(C)c1-c1ccc([C@H]2CCCN(C(=O)c3ccc(C)nc3)C2)nc1 ZINC000257265533 206170276 /nfs/dbraw/zinc/17/02/76/206170276.db2.gz LZAWEHUBEWIHME-IBGZPJMESA-N 0 0 376.460 4.077 40 0 GIABRN COc1cc(CC(=O)N2CC[C@@H](Nc3ccccc3)[C@@H](CC(C)C)C2)ccc1O ZINC000257279848 206170834 /nfs/dbraw/zinc/17/08/34/206170834.db2.gz OIKSXENBHPBBIH-PZJWPPBQSA-N 0 0 396.531 4.319 40 0 GIABRN Cc1cccc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)n1 ZINC000257333496 206181957 /nfs/dbraw/zinc/18/19/57/206181957.db2.gz YBUPWBZSNYSARG-FQEVSTJZSA-N 0 0 379.435 4.475 40 0 GIABRN CCCC(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)(C(=O)NCC)CC1 ZINC000257333596 206181993 /nfs/dbraw/zinc/18/19/93/206181993.db2.gz YCFWKWAUIHMYMB-UHFFFAOYSA-N 0 0 392.543 4.441 40 0 GIABRN O=C(N1C[C@@H]2[C@@H](Cc3ccccc3)CC[C@@H]2C1)C1(c2ccccc2)CCOCC1 ZINC000257335835 206182119 /nfs/dbraw/zinc/18/21/19/206182119.db2.gz YMBJFCBNFMODLA-CQOQZXRMSA-N 0 0 389.539 4.462 40 0 GIABRN C[C@@H](OC(=O)CCCCCOC(=O)c1ccccc1)C(=O)OCc1ccccc1 ZINC000263583702 206184610 /nfs/dbraw/zinc/18/46/10/206184610.db2.gz UKTLMHLQSCRTEC-GOSISDBHSA-N 0 0 398.455 4.079 40 0 GIABRN O=C(c1nccc2ccccc21)N1C[C@@H]2CC[C@H](Oc3ccccc3F)[C@@H]2C1 ZINC000257327079 206179663 /nfs/dbraw/zinc/17/96/63/206179663.db2.gz WZVXOXIAEBUDNJ-HQRMLTQVSA-N 0 0 376.431 4.304 40 0 GIABRN CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)c2cnc3ccccc3c2)n1 ZINC000257329900 206180091 /nfs/dbraw/zinc/18/00/91/206180091.db2.gz XLYWVRHAKQGGHF-NRFANRHFSA-N 0 0 388.515 4.323 40 0 GIABRN Cc1noc(C)c1-c1ccnc(C2CCN(C(=O)c3ccc(C)nc3)CC2)c1 ZINC000257335151 206181252 /nfs/dbraw/zinc/18/12/52/206181252.db2.gz YIWZFYKQGRRZLQ-UHFFFAOYSA-N 0 0 376.460 4.077 40 0 GIABRN Cc1noc(C)c1-c1nccc([C@@H]2CCCN2C(=O)c2c(F)cccc2F)n1 ZINC000257335638 206181357 /nfs/dbraw/zinc/18/13/57/206181357.db2.gz YLDJBBSGKBRNAJ-INIZCTEOSA-N 0 0 384.386 4.004 40 0 GIABRN Cc1ccc(CN2CCO[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)s1 ZINC000306140379 206205153 /nfs/dbraw/zinc/20/51/53/206205153.db2.gz URNQEMXSKYNLIC-NRFANRHFSA-N 0 0 390.512 4.340 40 0 GIABRN Cc1nc(C(=O)N2Cc3sc(N4CCCC4)nc3-c3ccccc3C2)cs1 ZINC000306142872 206207628 /nfs/dbraw/zinc/20/76/28/206207628.db2.gz XNBMQMASZBDINL-UHFFFAOYSA-N 0 0 396.541 4.331 40 0 GIABRN Cc1c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2ncc1Br ZINC000071257605 206209453 /nfs/dbraw/zinc/20/94/53/206209453.db2.gz DUIFNFHGVASIET-UHFFFAOYSA-N 0 0 395.301 4.143 40 0 GIABRN COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1Br ZINC000041076813 206195869 /nfs/dbraw/zinc/19/58/69/206195869.db2.gz OVJAOANKHFOPML-UHFFFAOYSA-N 0 0 391.290 4.302 40 0 GIABRN c1nc([C@@H]2CCCN2Cc2ccc3c(c2)OCO3)c2ccc(-c3cccnc3)cn12 ZINC000306128531 206199094 /nfs/dbraw/zinc/19/90/94/206199094.db2.gz HCYUPPBNCDHWTR-FQEVSTJZSA-N 0 0 398.466 4.462 40 0 GIABRN Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2/SC(=N)NC2=O)cc1 ZINC000006812443 206220666 /nfs/dbraw/zinc/22/06/66/206220666.db2.gz DRJBUYKKURMUPW-GZTJUZNOSA-N 0 0 388.876 4.245 40 0 GIABRN O=C(CSc1nnc(-c2ccccn2)c(-c2ccccn2)n1)c1cccs1 ZINC000005059588 220823008 /nfs/dbraw/zinc/82/30/08/220823008.db2.gz PMNRYRBIOMAMJS-UHFFFAOYSA-N 0 0 391.481 4.032 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000014022868 221297525 /nfs/dbraw/zinc/29/75/25/221297525.db2.gz IRBALOQNDATZSE-OAQYLSRUSA-N 0 0 392.455 4.314 40 0 GIABRN COc1ccccc1CNc1ncc(-c2ccccc2F)c(-c2nccn2C)n1 ZINC000019291720 221406398 /nfs/dbraw/zinc/40/63/98/221406398.db2.gz LJAASNFYYVVGIU-UHFFFAOYSA-N 0 0 389.434 4.304 40 0 GIABRN COc1ccc2ccccc2c1/C=c1/sc2nc3cc(C)c(C)cc3n2c1=O ZINC000409394339 533339839 /nfs/dbraw/zinc/33/98/39/533339839.db2.gz ZBJYOUSMXKIRAZ-CIAFOILYSA-N 0 0 386.476 4.236 40 0 GIABRN COCCN1C(=O)S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O ZINC000409134084 533341633 /nfs/dbraw/zinc/34/16/33/533341633.db2.gz RTBIWNLYYKYDSS-LDADJPATSA-N 0 0 387.432 4.087 40 0 GIABRN COc1cccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)c1 ZINC000008902677 533419911 /nfs/dbraw/zinc/41/99/11/533419911.db2.gz XKTUNGTXGYEIFO-UHFFFAOYSA-N 0 0 393.424 4.403 40 0 GIABRN COc1c(F)c(F)c(C(=O)Nc2ccc(Br)cc2)c(F)c1F ZINC000408624599 533427431 /nfs/dbraw/zinc/42/74/31/533427431.db2.gz YDMBQIWQYWSDLL-UHFFFAOYSA-N 0 0 378.119 4.266 40 0 GIABRN COC(=O)CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 ZINC000408749114 533584919 /nfs/dbraw/zinc/58/49/19/533584919.db2.gz DOUFVOGGHKVSIZ-UHFFFAOYSA-N 0 0 392.889 4.467 40 0 GIABRN O[C@H](c1cccnc1)c1ccccc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000072340655 136168548 /nfs/dbraw/zinc/16/85/48/136168548.db2.gz IZQYGHWCGGMLHZ-HSZRJFAPSA-N 0 0 393.918 4.139 40 0 GIABRN O=Nc1c(Br)cc(N2CCOCC2)cc1NCc1ccccc1 ZINC000085408942 136175268 /nfs/dbraw/zinc/17/52/68/136175268.db2.gz FLOJMYHODUGPNG-UHFFFAOYSA-N 0 0 376.254 4.296 40 0 GIABRN O=C([O-])[C@H](c1ccc2ccccc2c1)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000095635302 136182539 /nfs/dbraw/zinc/18/25/39/136182539.db2.gz BOEKPKYQMHQNEN-NRFANRHFSA-N 0 0 380.875 4.441 40 0 GIABRN O[C@H]1CCCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)nn32)C1 ZINC000001341256 136193132 /nfs/dbraw/zinc/19/31/32/136193132.db2.gz YRZOQVYIFBDUAJ-IBGZPJMESA-N 0 0 388.446 4.164 40 0 GIABRN CCOc1ccc(CCCNC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000219864207 136204435 /nfs/dbraw/zinc/20/44/35/136204435.db2.gz UPZZOIKIVXECII-UHFFFAOYSA-N 0 0 380.532 4.359 40 0 GIABRN O=C(COc1cccc(Cl)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000222767060 136204997 /nfs/dbraw/zinc/20/49/97/136204997.db2.gz HOTBRCPPWYVABH-UHFFFAOYSA-N 0 0 398.812 4.086 40 0 GIABRN COc1ccc(CCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1C ZINC000222908653 136205126 /nfs/dbraw/zinc/20/51/26/136205126.db2.gz IFDJHWKVRIZHLN-UHFFFAOYSA-N 0 0 386.923 4.247 40 0 GIABRN CCc1ccc(O[C@@H](CC)C(=O)NCCCN2CCCc3ccccc32)cc1 ZINC000222903469 136205148 /nfs/dbraw/zinc/20/51/48/136205148.db2.gz GOIXWVTZCNPUDN-QHCPKHFHSA-N 0 0 380.532 4.366 40 0 GIABRN Cc1ccc(C)c(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1 ZINC000030850676 221704386 /nfs/dbraw/zinc/70/43/86/221704386.db2.gz PMFPEMPMNZAOJO-UHFFFAOYSA-N 0 0 386.495 4.457 40 0 GIABRN COc1ccc(CSCC(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000408730608 533730421 /nfs/dbraw/zinc/73/04/21/533730421.db2.gz RWANXOYIJZDGBD-UHFFFAOYSA-N 0 0 381.950 4.490 40 0 GIABRN Cc1c(F)cccc1NC(=O)[C@H](C)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000409000104 533889706 /nfs/dbraw/zinc/88/97/06/533889706.db2.gz DRDZNNVSHWRNFY-KRWDZBQOSA-N 0 0 390.458 4.409 40 0 GIABRN COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(C(C)C)C3=O)o2)c(C)c1 ZINC000409023485 533944957 /nfs/dbraw/zinc/94/49/57/533944957.db2.gz DZSGHWSJHFBATF-LICLKQGHSA-N 0 0 385.441 4.486 40 0 GIABRN Cc1cc(C)cc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)c2)c1 ZINC000408672205 534082699 /nfs/dbraw/zinc/08/26/99/534082699.db2.gz MIWRZCLKZYEYBD-LVXYXVKQSA-N 0 0 390.483 4.481 40 0 GIABRN Cc1cc(C)cc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)c1 ZINC000408673909 534083428 /nfs/dbraw/zinc/08/34/28/534083428.db2.gz WCLXZTZWKMSKDC-XMDBHEJHSA-N 0 0 390.483 4.481 40 0 GIABRN Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4CC=C(C)C[C@@H]4C3=O)cc2)c(C)c1 ZINC000408686067 534190359 /nfs/dbraw/zinc/19/03/59/534190359.db2.gz RXLMAFPMKDSTJZ-PMACEKPBSA-N 0 0 388.467 4.401 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C(=O)N1CCCCC1 ZINC000408616724 534212671 /nfs/dbraw/zinc/21/26/71/534212671.db2.gz ASXMFZGZMPYXOO-UHFFFAOYSA-N 0 0 392.908 4.075 40 0 GIABRN COC(=O)c1ccc2nc(NC(=S)NCCC3=CCCCC3)sc2c1 ZINC000409190312 534251163 /nfs/dbraw/zinc/25/11/63/534251163.db2.gz RXMXYLKUPBVZRQ-UHFFFAOYSA-N 0 0 375.519 4.260 40 0 GIABRN Cc1cccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2C)c1 ZINC000020151547 518190147 /nfs/dbraw/zinc/19/01/47/518190147.db2.gz FAUGKMAPKROTRQ-UHFFFAOYSA-N 0 0 380.469 4.183 40 0 GIABRN CC(C)Oc1cccc(CCCNS(=O)(=O)Cc2cccc(Cl)c2)c1 ZINC000013670655 519782744 /nfs/dbraw/zinc/78/27/44/519782744.db2.gz QXVLXJWXNDUIAC-UHFFFAOYSA-N 0 0 381.925 4.179 40 0 GIABRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)CC(C)C)ccc3O)oc2c1 ZINC000408628698 534487495 /nfs/dbraw/zinc/48/74/95/534487495.db2.gz WECXRIMJSPHCOR-UHFFFAOYSA-N 0 0 383.473 4.368 40 0 GIABRN Cn1c(Cc2cccc3ccccc32)nnc1SCC(=O)NC1CCCCC1 ZINC000408561048 534695420 /nfs/dbraw/zinc/69/54/20/534695420.db2.gz WUTARADOUMOYGO-UHFFFAOYSA-N 0 0 394.544 4.100 40 0 GIABRN Cc1cccc(OCC(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)c1 ZINC000008903732 534749935 /nfs/dbraw/zinc/74/99/35/534749935.db2.gz CFJOXYGVNJEUSS-UHFFFAOYSA-N 0 0 384.457 4.187 40 0 GIABRN Cc1cccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)c1C ZINC000408673355 534745944 /nfs/dbraw/zinc/74/59/44/534745944.db2.gz RJMNKSFLWUARRN-RRMPHLOHSA-N 0 0 388.467 4.257 40 0 GIABRN Cc1cccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)c1C ZINC000408673354 534746101 /nfs/dbraw/zinc/74/61/01/534746101.db2.gz RJMNKSFLWUARRN-FQELHTAISA-N 0 0 388.467 4.257 40 0 GIABRN O=C1S/C(=C\c2cc(Cl)ccc2O)C(=O)N1CCOc1ccccc1 ZINC000106757604 534823475 /nfs/dbraw/zinc/82/34/75/534823475.db2.gz UFOJHILDXONBNK-WJDWOHSUSA-N 0 0 375.833 4.161 40 0 GIABRN O=C1S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1CCOc1ccccc1 ZINC000106766566 534824574 /nfs/dbraw/zinc/82/45/74/534824574.db2.gz UZCBNYPVYLISDN-WJDWOHSUSA-N 0 0 375.833 4.161 40 0 GIABRN Cc1ccccc1OCc1ccc(C(=O)NCC(=O)Nc2ccc(Cl)cc2)o1 ZINC000408564457 534829711 /nfs/dbraw/zinc/82/97/11/534829711.db2.gz YKEPSFXPNPAHBH-UHFFFAOYSA-N 0 0 398.846 4.189 40 0 GIABRN Cc1cc(Nc2cc(-c3ccccn3)nc(NC3CC3)n2)ccc1Br ZINC000329010132 525304087 /nfs/dbraw/zinc/30/40/87/525304087.db2.gz LZKQLLRFXXICEI-UHFFFAOYSA-N 0 0 396.292 4.349 40 0 GIABRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(C)c(C)c2)C1=O ZINC000409014747 527730156 /nfs/dbraw/zinc/73/01/56/527730156.db2.gz YISRAEUMTVTQJH-GYZOOYGHSA-N 0 0 398.484 4.082 40 0 GIABRN CCC1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)CC1 ZINC000408706918 527853254 /nfs/dbraw/zinc/85/32/54/527853254.db2.gz FDLNZAULYBJSRR-MOKVOYLWSA-N 0 0 383.319 4.431 40 0 GIABRN CCCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3F)c(OCC)c2)C1=O ZINC000409221454 528174987 /nfs/dbraw/zinc/17/49/87/528174987.db2.gz QNRGUVJCAYIFLA-LDADJPATSA-N 0 0 398.434 4.106 40 0 GIABRN CCOc1c(I)cc(CNc2ccccc2)cc1OC ZINC000409118075 528184170 /nfs/dbraw/zinc/18/41/70/528184170.db2.gz MXXKPRLEPUREOR-UHFFFAOYSA-N 0 0 383.229 4.311 40 0 GIABRN CCOc1cc(/C=C2/C(=O)N(C)C(=S)N2C)ccc1OCc1ccc(C)cc1 ZINC000409040050 528194393 /nfs/dbraw/zinc/19/43/93/528194393.db2.gz XNTOSRRQOSJYLW-PDGQHHTCSA-N 0 0 396.512 4.002 40 0 GIABRN CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1O ZINC000409234214 528195328 /nfs/dbraw/zinc/19/53/28/528195328.db2.gz JDBQHWQQEARJFI-RIYZIHGNSA-N 0 0 393.226 4.195 40 0 GIABRN CCCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000409409338 528213127 /nfs/dbraw/zinc/21/31/27/528213127.db2.gz NPCWVIACWYEDTC-UHFFFAOYSA-N 0 0 388.533 4.333 40 0 GIABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc(F)cc2)cc1 ZINC000006630454 528225965 /nfs/dbraw/zinc/22/59/65/528225965.db2.gz PLTMQLIEMOKORT-UHFFFAOYSA-N 0 0 378.403 4.244 40 0 GIABRN CC(C)Oc1cccc(NC(=O)c2ccccc2I)c1 ZINC000014796278 528238651 /nfs/dbraw/zinc/23/86/51/528238651.db2.gz NBAUMFNNRDRNGY-UHFFFAOYSA-N 0 0 381.213 4.331 40 0 in-vitro GIABRN CCN(CC)c1nc(Nc2cccc(Cl)c2)nc(Nc2cc(C)ccc2C)n1 ZINC000408720557 528315649 /nfs/dbraw/zinc/31/56/49/528315649.db2.gz UKDNBCKRKQRESM-UHFFFAOYSA-N 0 0 396.926 4.319 40 0 GIABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCC(C)C)cc1 ZINC000408677697 528351277 /nfs/dbraw/zinc/35/12/77/528351277.db2.gz QUGIGGHOZUOIBG-UHFFFAOYSA-N 0 0 378.472 4.350 40 0 GIABRN CCOc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2F)cc1 ZINC000408615888 528454193 /nfs/dbraw/zinc/45/41/93/528454193.db2.gz UDOYOTVNJMPKAP-UHFFFAOYSA-N 0 0 392.430 4.407 40 0 GIABRN CCOc1ccc(Cl)cc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000409096690 528471627 /nfs/dbraw/zinc/47/16/27/528471627.db2.gz KXIRXSNLKDAIAH-YBEGLDIGSA-N 0 0 391.254 4.485 40 0 GIABRN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000103718365 528541066 /nfs/dbraw/zinc/54/10/66/528541066.db2.gz HMLUYBOFQIMEFJ-GFCCVEGCSA-N 0 0 393.270 4.384 40 0 GIABRN CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1NC(C)=O ZINC000408554546 528587078 /nfs/dbraw/zinc/58/70/78/528587078.db2.gz BVTVJPFVHPVQBC-UHFFFAOYSA-N 0 0 390.505 4.276 40 0 GIABRN CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 ZINC000106711261 528641078 /nfs/dbraw/zinc/64/10/78/528641078.db2.gz OINZALWIMRJFRL-AQTBWJFISA-N 0 0 396.468 4.150 40 0 GIABRN CCOc1ccccc1[C@H](c1c[nH]c2ccccc21)C1C(=O)OC(C)(C)OC1=O ZINC000409121655 528762191 /nfs/dbraw/zinc/76/21/91/528762191.db2.gz VIRISUPVOSFBNE-LJQANCHMSA-N 0 0 393.439 4.151 40 0 GIABRN CC(C)N1C(=O)S/C(=C\c2cc(Br)c(Br)o2)C1=O ZINC000408952766 528980130 /nfs/dbraw/zinc/98/01/30/528980130.db2.gz MRGYJRPFCISZSG-YWEYNIOJSA-N 0 0 395.072 4.249 40 0 GIABRN CC(C)Nc1nc(NCc2cccc(Br)c2)cc(-c2ccccc2)n1 ZINC000328965954 529111639 /nfs/dbraw/zinc/11/16/39/529111639.db2.gz CHHRLYPWXPZHJO-UHFFFAOYSA-N 0 0 397.320 4.182 40 0 GIABRN O=Cc1ccc(OCc2ccc(F)cc2Cl)c(I)c1 ZINC000216810437 570300855 /nfs/dbraw/zinc/30/08/55/570300855.db2.gz QRRSSXZFZTYSGZ-UHFFFAOYSA-N 0 0 390.579 4.475 40 0 GIABRN C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)NCc1cc(F)cc(F)c1 ZINC000253401591 560040465 /nfs/dbraw/zinc/04/04/65/560040465.db2.gz NITLNDBHODHOEE-JTQLQIEISA-N 0 0 392.789 4.257 40 0 biogenic,in-vitro GIABRN O=C(c1cn(CCN2CCOCC2)c2ccccc12)c1ccc2ccccc2c1 ZINC000013742590 560220344 /nfs/dbraw/zinc/22/03/44/560220344.db2.gz ZESGOIBULDUMRS-UHFFFAOYSA-N 0 0 384.479 4.358 40 0 in-vitro GIABRN CC(C)c1nnc(CC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)[nH]1 ZINC000019718515 570209912 /nfs/dbraw/zinc/20/99/12/570209912.db2.gz AHUQKEMUVBPYPS-UHFFFAOYSA-N 0 0 377.473 4.386 40 0 GIABRN Cc1ccc(Nc2cc(C(F)(F)F)nc(NC(C)C)n2)cc1C(F)(F)F ZINC000328973142 570210142 /nfs/dbraw/zinc/21/01/42/570210142.db2.gz DZGYELOXWFBBBH-UHFFFAOYSA-N 0 0 378.320 4.230 40 0 GIABRN COc1ccc(-c2cc(C(=O)NCCc3nc(C(C)(C)C)cs3)on2)cc1 ZINC000019718914 570210154 /nfs/dbraw/zinc/21/01/54/570210154.db2.gz UHAGATPKIXMATB-UHFFFAOYSA-N 0 0 385.489 4.077 40 0 GIABRN Cc1c([C@@H](C)NC(=O)c2cc(-c3ccccn3)nc3ccc(C)cc32)cnn1C ZINC000019719131 570210202 /nfs/dbraw/zinc/21/02/02/570210202.db2.gz QAVDDWZNGGKHOD-OAHLLOKOSA-N 0 0 385.471 4.138 40 0 GIABRN C[C@H]1CN(C(=O)c2ccc3ccc(N(C)c4ccc(F)cc4)n3c2)C[C@H](C)O1 ZINC000096091368 570210375 /nfs/dbraw/zinc/21/03/75/570210375.db2.gz QNURYWLWSHZCQU-HOTGVXAUSA-N 0 0 381.451 4.096 40 0 GIABRN Cc1cccc(Cl)c1Nc1cc(-c2ccncc2)nc(NC2CCCC2)n1 ZINC000328981181 570210392 /nfs/dbraw/zinc/21/03/92/570210392.db2.gz GSESVDGQCLRQQF-UHFFFAOYSA-N 0 0 379.895 4.442 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(OC(F)F)cc2)cc(C2CC2)n1 ZINC000328976837 570210424 /nfs/dbraw/zinc/21/04/24/570210424.db2.gz FQJIYXIHUXENLE-INIZCTEOSA-N 0 0 378.423 4.128 40 0 GIABRN Cc1nc2ccccc2n1CCCC(=O)Nc1nnc(-c2ccccc2F)s1 ZINC000019719277 570210535 /nfs/dbraw/zinc/21/05/35/570210535.db2.gz DJXRADHQWLNCBB-UHFFFAOYSA-N 0 0 395.463 4.421 40 0 GIABRN COc1ccc2c(c1)CCN(c1cc(C3CC3)nc(NC3CCCCC3)n1)C2 ZINC000328989180 570210816 /nfs/dbraw/zinc/21/08/16/570210816.db2.gz IJTVMQLAXNOEHP-UHFFFAOYSA-N 0 0 378.520 4.092 40 0 GIABRN Cc1cc(F)ccc1Nc1cc(-c2ccncc2)nc(N[C@H](CO)C(C)C)n1 ZINC000328985654 570210906 /nfs/dbraw/zinc/21/09/06/570210906.db2.gz HTSAOJJXGYHLKB-LJQANCHMSA-N 0 0 381.455 4.159 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc(Nc2cc(F)ccc2F)cc(-c2ccccc2)n1 ZINC000328996643 570211021 /nfs/dbraw/zinc/21/10/21/570211021.db2.gz JKWRFZSJBADHMT-LJQANCHMSA-N 0 0 384.430 4.016 40 0 GIABRN CCNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2cccnc2)n1 ZINC000329005179 570211814 /nfs/dbraw/zinc/21/18/14/570211814.db2.gz KWLQRBCBXUADOI-UHFFFAOYSA-N 0 0 393.800 4.230 40 0 GIABRN Cc1cc(F)ccc1Nc1cc(-c2cccnc2)nc(N[C@H](CO)C(C)C)n1 ZINC000329011445 570212277 /nfs/dbraw/zinc/21/22/77/570212277.db2.gz MEPPAMPTTMRGRE-LJQANCHMSA-N 0 0 381.455 4.159 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2ccc(Br)c(F)c2)cc(C2CC2)n1 ZINC000329014349 570212465 /nfs/dbraw/zinc/21/24/65/570212465.db2.gz MUXIDZDQGFTZHI-SNVBAGLBSA-N 0 0 379.277 4.053 40 0 GIABRN CC(C)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2ccncc2)n1 ZINC000329019222 570213083 /nfs/dbraw/zinc/21/30/83/570213083.db2.gz NUWSAYPUYBLMFT-UHFFFAOYSA-N 0 0 391.372 4.104 40 0 GIABRN Cc1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCC3)n2)c(Cl)c1 ZINC000329021751 570213330 /nfs/dbraw/zinc/21/33/30/570213330.db2.gz OIONTTQWTBKBCL-UHFFFAOYSA-N 0 0 379.895 4.442 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C(F)(F)F)n1 ZINC000329028623 570213686 /nfs/dbraw/zinc/21/36/86/570213686.db2.gz PWDMGVWNHZBMTK-HNNXBMFYSA-N 0 0 396.457 4.387 40 0 GIABRN CNc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2ccccc2)n1 ZINC000329023061 570213752 /nfs/dbraw/zinc/21/37/52/570213752.db2.gz ORTIMKJDBBIMLQ-UHFFFAOYSA-N 0 0 394.784 4.325 40 0 GIABRN COc1ccc(N(C)c2ccc3ccc(C(=O)NCc4ccncc4)cn32)cc1 ZINC000096146213 570213867 /nfs/dbraw/zinc/21/38/67/570213867.db2.gz OXUUHYSPJKYOCA-UHFFFAOYSA-N 0 0 386.455 4.041 40 0 GIABRN FC(F)(F)c1cc(NCc2cccc(Cl)c2)nc(NC2CCCCC2)n1 ZINC000329052509 570215193 /nfs/dbraw/zinc/21/51/93/570215193.db2.gz VBYJPEKCODZTMF-UHFFFAOYSA-N 0 0 384.833 4.349 40 0 GIABRN CNc1nc(Nc2c(C)cc(Br)cc2C)cc(-c2ccccc2)n1 ZINC000329059566 570215599 /nfs/dbraw/zinc/21/55/99/570215599.db2.gz WHRQGXGCGGMGKT-UHFFFAOYSA-N 0 0 383.293 4.152 40 0 GIABRN CCNc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000329065810 570215950 /nfs/dbraw/zinc/21/59/50/570215950.db2.gz XVCVTOYPRGKODT-UHFFFAOYSA-N 0 0 376.357 4.321 40 0 GIABRN C[C@@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)n1 ZINC000329067279 570216008 /nfs/dbraw/zinc/21/60/08/570216008.db2.gz YHGXDUQIUQGHAN-ZDUSSCGKSA-N 0 0 388.393 4.121 40 0 GIABRN Cc1cccc(Nc2cc(-c3ccccc3)nc(N[C@@H](CO)C(C)C)n2)c1C ZINC000329065630 570216112 /nfs/dbraw/zinc/21/61/12/570216112.db2.gz XSVDUPNQRJUZPS-NRFANRHFSA-N 0 0 376.504 4.355 40 0 GIABRN Cc1ccc(NC(=O)c2nnc3c(-c4ccc(Cl)cc4)cnn3c2C)cc1 ZINC000019817005 570221635 /nfs/dbraw/zinc/22/16/35/570221635.db2.gz HSCOCEUCQHSLLJ-UHFFFAOYSA-N 0 0 377.835 4.314 40 0 GIABRN Cc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)c1 ZINC000000825800 570225525 /nfs/dbraw/zinc/22/55/25/570225525.db2.gz BVYZYRPDELQRDL-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN O=C(NCc1ccccn1)c1cc(-c2ccnn2C2CCCC2)n2ccccc12 ZINC000096266720 570227350 /nfs/dbraw/zinc/22/73/50/570227350.db2.gz QABPVWDXDROOHJ-UHFFFAOYSA-N 0 0 385.471 4.243 40 0 GIABRN CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)CC3CCCC3)CCO2)n1 ZINC000585261333 570227990 /nfs/dbraw/zinc/22/79/90/570227990.db2.gz HHHCMLUEDQEEQF-FQEVSTJZSA-N 0 0 383.492 4.088 40 0 GIABRN COCCC(=O)N[C@]1(C)C[C@H](c2ccccc2F)O[C@H](c2ccc(F)cc2)C1 ZINC000585262239 570229609 /nfs/dbraw/zinc/22/96/09/570229609.db2.gz QADAKJHGIUGKDD-VWPQPMDRSA-N 0 0 389.442 4.469 40 0 GIABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000020038457 570236504 /nfs/dbraw/zinc/23/65/04/570236504.db2.gz KGZZEOFQCCNMIS-OAQYLSRUSA-N 0 0 386.923 4.463 40 0 GIABRN Cc1nccn1-c1ccccc1CNC(=O)[C@H](C)Oc1cccc2ccccc21 ZINC000020044006 570237419 /nfs/dbraw/zinc/23/74/19/570237419.db2.gz BYNZHCDIDSVYPS-KRWDZBQOSA-N 0 0 385.467 4.418 40 0 GIABRN Cc1oc2c(c1C(=O)N1CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C1)CCCC2 ZINC000585270055 570238810 /nfs/dbraw/zinc/23/88/10/570238810.db2.gz BIJCSTOUKGIIBR-GFCCVEGCSA-N 0 0 381.398 4.229 40 0 GIABRN Cc1ccc2oc(C(=O)N(C)[C@@H]3CCC[C@@H](Oc4cccc(F)c4)[C@@H]3O)cc2c1 ZINC000585271020 570239746 /nfs/dbraw/zinc/23/97/46/570239746.db2.gz DDUBVLVMJPMAQS-SYYKKAFVSA-N 0 0 397.446 4.313 40 0 GIABRN O=C(Nc1cccc2ccccc21)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000020109054 570240450 /nfs/dbraw/zinc/24/04/50/570240450.db2.gz GFCNYPDBRABCBC-UHFFFAOYSA-N 0 0 394.496 4.018 40 0 GIABRN CCCNC(=O)c1ccccc1NC(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000020110980 570240685 /nfs/dbraw/zinc/24/06/85/570240685.db2.gz RZQMDVQZAFMHQW-UHFFFAOYSA-N 0 0 398.503 4.195 40 0 GIABRN COc1cc(CNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)ccc1OC(C)C ZINC000020112243 570240904 /nfs/dbraw/zinc/24/09/04/570240904.db2.gz JDUYRGZUQGHOSX-SFHVURJKSA-N 0 0 385.504 4.491 40 0 GIABRN COc1ccc(S[C@@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000020111916 570240955 /nfs/dbraw/zinc/24/09/55/570240955.db2.gz XTPUEWKRNPEHKT-HNNXBMFYSA-N 0 0 390.936 4.178 40 0 GIABRN O=C(Cc1ccc(Br)cc1)Nc1ccc(-c2ccc(CO)o2)cc1 ZINC000020137211 570242068 /nfs/dbraw/zinc/24/20/68/570242068.db2.gz PSNDWBYEYUHBKX-UHFFFAOYSA-N 0 0 386.245 4.383 40 0 GIABRN COc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1-c1ccc(CO)o1 ZINC000020141864 570243063 /nfs/dbraw/zinc/24/30/63/570243063.db2.gz PUPQSDLHRURLRL-UHFFFAOYSA-N 0 0 381.428 4.487 40 0 GIABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cccc(F)c1 ZINC000020151871 570244452 /nfs/dbraw/zinc/24/44/52/570244452.db2.gz LTZFQKABBNLHLL-UHFFFAOYSA-N 0 0 384.432 4.013 40 0 GIABRN CCc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)o2)cc1 ZINC000020197160 570247045 /nfs/dbraw/zinc/24/70/45/570247045.db2.gz LXJQHIVRUNXJRD-UHFFFAOYSA-N 0 0 395.484 4.156 40 0 GIABRN CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000020528509 570253648 /nfs/dbraw/zinc/25/36/48/570253648.db2.gz DKWRNJOHAYISCA-NTEUORMPSA-N 0 0 391.515 4.033 40 0 GIABRN CCS(=O)(=O)N1c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2C[C@H]1C ZINC000020449072 570256272 /nfs/dbraw/zinc/25/62/72/570256272.db2.gz AMWORIZZQHTLRD-CYBMUJFWSA-N 0 0 392.908 4.001 40 0 GIABRN Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(Cc2cccc(Cl)c2)n1 ZINC000017077885 570258179 /nfs/dbraw/zinc/25/81/79/570258179.db2.gz ZCURDBYGFHNPSM-UHFFFAOYSA-N 0 0 380.883 4.003 40 0 GIABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000020461391 570260690 /nfs/dbraw/zinc/26/06/90/570260690.db2.gz ZWVNMFBNUUPIBY-OAQYLSRUSA-N 0 0 380.488 4.336 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2CC)cc1Cl ZINC000020481007 570261508 /nfs/dbraw/zinc/26/15/08/570261508.db2.gz YJEDIXPINCPXHT-ZDUSSCGKSA-N 0 0 375.852 4.485 40 0 GIABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccccc1-n1ccnc1 ZINC000020483011 570261713 /nfs/dbraw/zinc/26/17/13/570261713.db2.gz RWPLZOSSAXABPK-JOCHJYFZSA-N 0 0 385.467 4.499 40 0 GIABRN CCOC(=O)c1cc(NC(=O)CSCc2ccc(OC)cc2)ccc1Cl ZINC000020483775 570262152 /nfs/dbraw/zinc/26/21/52/570262152.db2.gz UNBNLWBMXHBXAD-UHFFFAOYSA-N 0 0 393.892 4.397 40 0 GIABRN O=C(NC1CCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020487633 570262442 /nfs/dbraw/zinc/26/24/42/570262442.db2.gz GFPGMUXDURKTKW-UHFFFAOYSA-N 0 0 392.908 4.203 40 0 GIABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000020488445 570262687 /nfs/dbraw/zinc/26/26/87/570262687.db2.gz XZJYMIBFIFGGBH-SFHVURJKSA-N 0 0 386.879 4.372 40 0 GIABRN COc1ccc(SCC(=O)NCc2ccc(Cl)cc2Cl)cc1OC ZINC000020490153 570262789 /nfs/dbraw/zinc/26/27/89/570262789.db2.gz SIKUZEJGLFJPMX-UHFFFAOYSA-N 0 0 386.300 4.419 40 0 GIABRN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)c1cc2cc(Cl)ccc2oc1=O ZINC000001430420 570263039 /nfs/dbraw/zinc/26/30/39/570263039.db2.gz GCXBIEFHKZVHLA-UHFFFAOYSA-N 0 0 398.821 4.348 40 0 GIABRN CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000020493522 570263409 /nfs/dbraw/zinc/26/34/09/570263409.db2.gz YCDAKRUCVRFNQW-CJNGLKHVSA-N 0 0 377.868 4.392 40 0 GIABRN CC(=O)c1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)c(Br)c1 ZINC000098210697 570263969 /nfs/dbraw/zinc/26/39/69/570263969.db2.gz HTTYFSWETMMPBP-VIFPVBQESA-N 0 0 381.066 4.455 40 0 GIABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccccc1-n1ccnc1C ZINC000020495317 570264167 /nfs/dbraw/zinc/26/41/67/570264167.db2.gz GIMSYVFGHGGCHK-OAQYLSRUSA-N 0 0 377.488 4.271 40 0 GIABRN Cc1nccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C ZINC000020495846 570264254 /nfs/dbraw/zinc/26/42/54/570264254.db2.gz IABMHGBDAFBYQO-GOSISDBHSA-N 0 0 377.488 4.190 40 0 GIABRN Cc1ccc(NC(=O)Cc2sc(Nc3cccc(Cl)c3C)nc2O)cc1 ZINC000001622672 570266081 /nfs/dbraw/zinc/26/60/81/570266081.db2.gz NMLSXGMUYTXGRL-INIZCTEOSA-N 0 0 387.892 4.396 40 0 GIABRN Clc1ccc(CNc2ncnc3c2ncn3[C@H]2CCCCO2)cc1Cl ZINC000001668443 570266814 /nfs/dbraw/zinc/26/68/14/570266814.db2.gz HDAJSKIAZVRSAM-CQSZACIVSA-N 0 0 378.263 4.444 40 0 GIABRN CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)OC2CCCCC2)cc1 ZINC000001703578 570267354 /nfs/dbraw/zinc/26/73/54/570267354.db2.gz SYQLXNFEZDGZBU-UHFFFAOYSA-N 0 0 382.526 4.379 40 0 GIABRN O=C(CCc1ccccc1)NC[C@H]1CC[C@H](c2nnc(-c3ccccn3)o2)CC1 ZINC000100155961 570267773 /nfs/dbraw/zinc/26/77/73/570267773.db2.gz DAEBCZMGFWZROH-KDURUIRLSA-N 0 0 390.487 4.154 40 0 GIABRN CCCc1nnc2sc(-c3ccc(NC(=O)c4ccccc4OC)cc3)nn12 ZINC000020609766 570271783 /nfs/dbraw/zinc/27/17/83/570271783.db2.gz DNVMXHYIWVDYLR-UHFFFAOYSA-N 0 0 393.472 4.066 40 0 GIABRN CCc1nnc2sc(-c3ccc(NC(=O)c4cc(C)cc(C)c4)cc3)nn12 ZINC000020609716 570271793 /nfs/dbraw/zinc/27/17/93/570271793.db2.gz OGEIWYLIIZDNJV-UHFFFAOYSA-N 0 0 377.473 4.284 40 0 GIABRN COc1ccc(-n2nc3ccc(NC(=O)c4ccccc4F)cc3n2)cc1Cl ZINC000020610710 570272162 /nfs/dbraw/zinc/27/21/62/570272162.db2.gz ZYWWRMLWGXYLAV-UHFFFAOYSA-N 0 0 396.809 4.474 40 0 GIABRN CCOc1ccc2nc(Nc3nc(-c4ccc(C)cc4)cc(=O)[nH]3)nc(C)c2c1 ZINC000020633971 570273522 /nfs/dbraw/zinc/27/35/22/570273522.db2.gz UUEINUKLMSVCQU-UHFFFAOYSA-N 0 0 387.443 4.139 40 0 GIABRN Nc1nc(N)c2c(n1)nc1c(c2-c2cccc(Oc3ccccc3)c2)C(=O)CCC1 ZINC000020673526 570274754 /nfs/dbraw/zinc/27/47/54/570274754.db2.gz XOYCBOZJDABWKW-UHFFFAOYSA-N 0 0 397.438 4.168 40 0 GIABRN C[C@H]1CCCCN1C(=O)/C(=C\c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000211524558 570275942 /nfs/dbraw/zinc/27/59/42/570275942.db2.gz SKPIDDDKELURRG-HINJULBWSA-N 0 0 387.483 4.340 40 0 GIABRN O=C(CCC(=O)N/N=C/C1=C(Cl)CCCC1)N/N=C/C1=C(Cl)CCCC1 ZINC000005373926 570276160 /nfs/dbraw/zinc/27/61/60/570276160.db2.gz SDFWVOWSDZTRQY-XHQRYOPUSA-N 0 0 399.322 4.104 40 0 GIABRN O=C(COc1ccccc1Cl)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000020610442 570280692 /nfs/dbraw/zinc/28/06/92/570280692.db2.gz GMIBEBWIQRLHNW-UHFFFAOYSA-N 0 0 396.809 4.231 40 0 GIABRN CC1=C(C(=O)O[C@H]2CC[C@H](C)[C@H](C)C2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 ZINC000101112995 570281135 /nfs/dbraw/zinc/28/11/35/570281135.db2.gz SHEGXKQQQJYNOU-CUKSUCCVSA-N 0 0 376.884 4.336 40 0 GIABRN CCOc1ccc(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000101277124 570282220 /nfs/dbraw/zinc/28/22/20/570282220.db2.gz ULTACHDGPULHLC-OAHLLOKOSA-N 0 0 379.243 4.136 40 0 GIABRN CC(C)(C)OC(=O)c1ccc(Br)cc1OC1=CN=C2N=CC=C2C1 ZINC000602994154 570283601 /nfs/dbraw/zinc/28/36/01/570283601.db2.gz UTCRJMRFEUWUDX-UHFFFAOYSA-N 0 0 389.249 4.438 40 0 GIABRN CCOc1cccc(-c2nnc(SCc3c(F)cccc3Cl)n2N)c1 ZINC000002394147 570285588 /nfs/dbraw/zinc/28/55/88/570285588.db2.gz ZGGJHUDDJSBCOD-UHFFFAOYSA-N 0 0 378.860 4.142 40 0 GIABRN Cc1ccccc1NC(=O)CSc1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000021112452 570291699 /nfs/dbraw/zinc/29/16/99/570291699.db2.gz YNTLEMAPIDXZNT-UHFFFAOYSA-N 0 0 388.880 4.076 40 0 GIABRN C[C@@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000021905960 570299008 /nfs/dbraw/zinc/29/90/08/570299008.db2.gz STFAPKTZSQYIQF-KRWDZBQOSA-N 0 0 394.496 4.021 40 0 GIABRN COc1ccc(SCC(=O)NCCSCc2ccc(C)cc2)cc1OC ZINC000216397876 570300914 /nfs/dbraw/zinc/30/09/14/570300914.db2.gz NKWJSHXSWDFJOP-UHFFFAOYSA-N 0 0 391.558 4.154 40 0 GIABRN O=C(CCc1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1 ZINC000105837265 570305786 /nfs/dbraw/zinc/30/57/86/570305786.db2.gz RFVHUVLDJNQSGM-UHFFFAOYSA-N 0 0 377.315 4.270 40 0 GIABRN Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc2nsnc2c1 ZINC000021596121 570307235 /nfs/dbraw/zinc/30/72/35/570307235.db2.gz JSKWWDSHVNPQQB-UHFFFAOYSA-N 0 0 378.413 4.097 40 0 GIABRN COc1ccc(/C=C/C(=O)NC(=S)Nc2cccc3nc(C)ccc32)cc1 ZINC000021596034 570307461 /nfs/dbraw/zinc/30/74/61/570307461.db2.gz PHSUHYIRFBJEBE-UKTHLTGXSA-N 0 0 377.469 4.078 40 0 GIABRN Cn1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(=O)c2ccccc21 ZINC000022234246 570308796 /nfs/dbraw/zinc/30/87/96/570308796.db2.gz UQUYTIFFOWNDRY-UHFFFAOYSA-N 0 0 380.753 4.463 40 0 GIABRN CCn1cc(C(=O)N[C@@H](C)c2cccc(Br)c2)c(=O)c2ccccc21 ZINC000022234559 570308850 /nfs/dbraw/zinc/30/88/50/570308850.db2.gz DGTNSRUYSLFFPP-ZDUSSCGKSA-N 0 0 399.288 4.275 40 0 GIABRN CCn1cc(C(=O)N[C@H](C)c2ccc(SC)cc2)c(=O)c2cc(OC)ccc21 ZINC000022236082 570309212 /nfs/dbraw/zinc/30/92/12/570309212.db2.gz FDGQPVHQCISFFH-CQSZACIVSA-N 0 0 396.512 4.243 40 0 GIABRN CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cc(Cl)cc(Cl)c1)cn2C ZINC000022237215 570309521 /nfs/dbraw/zinc/30/95/21/570309521.db2.gz YRCWDXCOZICGLQ-UHFFFAOYSA-N 0 0 391.254 4.496 40 0 GIABRN CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cccc(C(F)(F)F)c1)cn2C ZINC000022237230 570309589 /nfs/dbraw/zinc/30/95/89/570309589.db2.gz ANGKWQPYUHHUDS-UHFFFAOYSA-N 0 0 390.361 4.208 40 0 GIABRN Cc1c(Cl)cccc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000022387111 570315654 /nfs/dbraw/zinc/31/56/54/570315654.db2.gz ZBWJOQNMWHQGKB-UHFFFAOYSA-N 0 0 394.924 4.177 40 0 GIABRN Cc1nc(N2CCOCC2)ccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072219656 570318086 /nfs/dbraw/zinc/31/80/86/570318086.db2.gz KDPAIVUEDGTAAK-OAQYLSRUSA-N 0 0 395.503 4.090 40 0 GIABRN Cc1nc(N2CCCCC2)ccc1C(=O)CCCCNC(=O)OC(C)(C)C ZINC000072219320 570318094 /nfs/dbraw/zinc/31/80/94/570318094.db2.gz OQGQLXCHUOJGIR-UHFFFAOYSA-N 0 0 375.513 4.258 40 0 GIABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1-n1ccnc1 ZINC000022533684 570321195 /nfs/dbraw/zinc/32/11/95/570321195.db2.gz VXIFNOQJMAWBBP-HSZRJFAPSA-N 0 0 385.467 4.499 40 0 GIABRN Cc1cc(C)c([C@H](C)NC(=O)C(=O)Nc2cccc(Br)c2)cc1C ZINC000022540686 570321991 /nfs/dbraw/zinc/32/19/91/570321991.db2.gz IASWBAISVINLGV-AWEZNQCLSA-N 0 0 389.293 4.190 40 0 GIABRN O=C(CSCc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 ZINC000044817703 570322090 /nfs/dbraw/zinc/32/20/90/570322090.db2.gz NUKABCFCQXOEPR-UHFFFAOYSA-N 0 0 378.900 4.061 40 0 GIABRN COc1cc(CNn2c(C)n[nH]c2=S)cc(Cl)c1OCc1cccs1 ZINC000022112429 570326034 /nfs/dbraw/zinc/32/60/34/570326034.db2.gz IFNCWGDCSJDCGC-UHFFFAOYSA-N 0 0 396.925 4.295 40 0 GIABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)c2ccccc2C)cc1 ZINC000022275155 570330412 /nfs/dbraw/zinc/33/04/12/570330412.db2.gz LFSFWLHRYIFZIZ-UHFFFAOYSA-N 0 0 394.496 4.137 40 0 GIABRN CCOC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000113883041 570334552 /nfs/dbraw/zinc/33/45/52/570334552.db2.gz FOIQTDXKLZNNGS-UHFFFAOYSA-N 0 0 395.908 4.024 40 0 GIABRN CC1(C)C[C@H](NC(=O)COc2ccc(Br)cc2)c2ccccc2O1 ZINC000218817742 570341377 /nfs/dbraw/zinc/34/13/77/570341377.db2.gz LPNPUBOAFIIZEM-INIZCTEOSA-N 0 0 390.277 4.247 40 0 GIABRN O=C(CN1CCc2ccccc2C1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000022387936 570342322 /nfs/dbraw/zinc/34/23/22/570342322.db2.gz AYMPMQRHZVQLAZ-UHFFFAOYSA-N 0 0 383.904 4.460 40 0 GIABRN COc1cc(CNC(=O)COc2cccc3ccccc32)ccc1OC(C)C ZINC000218911113 570343395 /nfs/dbraw/zinc/34/33/95/570343395.db2.gz ZTSDMJCEJJLYQW-UHFFFAOYSA-N 0 0 379.456 4.331 40 0 GIABRN CCc1ccc(OCC(=O)NCCSCc2c(F)cccc2Cl)cc1 ZINC000218954414 570344173 /nfs/dbraw/zinc/34/41/73/570344173.db2.gz WHHRPJQUMATTFQ-UHFFFAOYSA-N 0 0 381.900 4.470 40 0 GIABRN CCc1ccc(C2=NN(C(=O)c3cccc(Cl)c3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000005477284 570345244 /nfs/dbraw/zinc/34/52/44/570345244.db2.gz LEJXRMAFJABTEH-SFHVURJKSA-N 0 0 396.796 4.404 40 0 GIABRN Cc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc4ccccc4c3)n2)cc1 ZINC000219033183 570346292 /nfs/dbraw/zinc/34/62/92/570346292.db2.gz YKNOMFCSCBCJCJ-MRXNPFEDSA-N 0 0 387.439 4.282 40 0 GIABRN COc1ccc(CCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1OC ZINC000219281799 570350719 /nfs/dbraw/zinc/35/07/19/570350719.db2.gz RRBKZSMJZHRLFW-GOSISDBHSA-N 0 0 383.488 4.363 40 0 GIABRN CCOc1ccc(CCC(=O)N[C@@H](C)COc2ccc(C)cc2)cc1OCC ZINC000219279091 570350804 /nfs/dbraw/zinc/35/08/04/570350804.db2.gz IRIVUVSWVRNKQF-SFHVURJKSA-N 0 0 385.504 4.309 40 0 GIABRN CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccc(C)c(C)c1 ZINC000219284419 570351138 /nfs/dbraw/zinc/35/11/38/570351138.db2.gz GZNBMJRCFPCIOM-GOSISDBHSA-N 0 0 394.924 4.209 40 0 GIABRN CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccc(C)cc1C ZINC000219284529 570351304 /nfs/dbraw/zinc/35/13/04/570351304.db2.gz HVYXUNNLSLPBRP-SFHVURJKSA-N 0 0 394.924 4.209 40 0 GIABRN Cc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cc(C)cc(C)c3C)n2)cc1 ZINC000219303904 570352947 /nfs/dbraw/zinc/35/29/47/570352947.db2.gz XNFVTHMSADKFTM-KRWDZBQOSA-N 0 0 379.460 4.054 40 0 GIABRN Cc1cccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1C ZINC000219312023 570354031 /nfs/dbraw/zinc/35/40/31/570354031.db2.gz AVXWPZCERSCCQQ-OAHLLOKOSA-N 0 0 399.878 4.433 40 0 GIABRN CC(C)CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC(C)C ZINC000006326351 570357087 /nfs/dbraw/zinc/35/70/87/570357087.db2.gz KYLLVFGVVDWQGF-UHFFFAOYSA-N 0 0 380.945 4.119 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000219372433 570357244 /nfs/dbraw/zinc/35/72/44/570357244.db2.gz VDLQEYOYCHHPIG-LJQANCHMSA-N 0 0 393.487 4.478 40 0 GIABRN CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1nc(-c2ccc(C)cc2)no1 ZINC000219371048 570357345 /nfs/dbraw/zinc/35/73/45/570357345.db2.gz QOPMRMZZOXFRHO-SFHVURJKSA-N 0 0 379.460 4.136 40 0 GIABRN Cc1ccc(O[C@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1C ZINC000219521737 570365531 /nfs/dbraw/zinc/36/55/31/570365531.db2.gz JSKNXPPVMJWVIJ-CQSZACIVSA-N 0 0 385.851 4.091 40 0 GIABRN Cc1ccc(O[C@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)c(C)c1 ZINC000219537008 570366025 /nfs/dbraw/zinc/36/60/25/570366025.db2.gz YQPGZLOXTYZELI-CQSZACIVSA-N 0 0 385.851 4.091 40 0 GIABRN CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000219582968 570369663 /nfs/dbraw/zinc/36/96/63/570369663.db2.gz SCRLVLFDXFLQGG-DLBZAZTESA-N 0 0 375.440 4.268 40 0 GIABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCSCc1ccccc1 ZINC000219674869 570372842 /nfs/dbraw/zinc/37/28/42/570372842.db2.gz SSGKJJYRDVYRHS-CQSZACIVSA-N 0 0 394.334 4.266 40 0 GIABRN O=C(NC(=S)NCc1ccccc1)c1cccc(OCc2ccccc2)c1 ZINC000408625492 570373819 /nfs/dbraw/zinc/37/38/19/570373819.db2.gz DPEINCSMDPRIKQ-UHFFFAOYSA-N 0 0 376.481 4.070 40 0 GIABRN Cc1ccc2[nH]c(SCC(=O)Nc3ccccc3C(=O)OC(C)C)nc2c1 ZINC000408625266 570376887 /nfs/dbraw/zinc/37/68/87/570376887.db2.gz XEXVWJZDXUCJNP-UHFFFAOYSA-N 0 0 383.473 4.167 40 0 GIABRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2c(OCC)ccc3ccccc32)C1=O ZINC000409009370 570380595 /nfs/dbraw/zinc/38/05/95/570380595.db2.gz DWFMXOOUVRKWDW-RNEAKCBISA-N 0 0 399.468 4.226 40 0 GIABRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2c(OCC)ccc3ccccc32)C1=O ZINC000409009369 570380617 /nfs/dbraw/zinc/38/06/17/570380617.db2.gz DWFMXOOUVRKWDW-HTMJNSLASA-N 0 0 399.468 4.226 40 0 GIABRN CN1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2Cl)CC1 ZINC000408629239 570382086 /nfs/dbraw/zinc/38/20/86/570382086.db2.gz RNUZNRWWIMXUTA-RUDMXATFSA-N 0 0 390.314 4.397 40 0 GIABRN CCc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)cc1 ZINC000220275309 570384230 /nfs/dbraw/zinc/38/42/30/570384230.db2.gz GVCDNEZHOCZGQP-INIZCTEOSA-N 0 0 388.533 4.166 40 0 GIABRN CCc1ccc(NC(=O)[C@@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000220533491 570388219 /nfs/dbraw/zinc/38/82/19/570388219.db2.gz CZLXSPFJMGLINW-LJQANCHMSA-N 0 0 388.533 4.049 40 0 GIABRN COC(=O)c1cccc2c1N[C@@H](c1cccc(Br)c1)[C@H]1CCO[C@@H]21 ZINC000006950734 570394671 /nfs/dbraw/zinc/39/46/71/570394671.db2.gz UFWDWDUXAVBOCR-HFTRVMKXSA-N 0 0 388.261 4.480 40 0 GIABRN O=C(Nc1ccc2c(c1)OCCO2)c1csc(-c2cc3ccccc3[nH]2)n1 ZINC000036708160 570409841 /nfs/dbraw/zinc/40/98/41/570409841.db2.gz BUWUEMGUXWWCPI-UHFFFAOYSA-N 0 0 377.425 4.315 40 0 GIABRN CN(c1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1)S(C)(=O)=O ZINC000222406180 570409954 /nfs/dbraw/zinc/40/99/54/570409954.db2.gz GLGYMDNIKHUQNW-UHFFFAOYSA-N 0 0 396.468 4.127 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C ZINC000222457239 570411160 /nfs/dbraw/zinc/41/11/60/570411160.db2.gz SIDCEFJFIMLYGX-JOCHJYFZSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1 ZINC000222454844 570411170 /nfs/dbraw/zinc/41/11/70/570411170.db2.gz CDPJNHVHSAGNMW-JOCHJYFZSA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000222457461 570411212 /nfs/dbraw/zinc/41/12/12/570411212.db2.gz VZPSGFHHSAEZGD-QHCPKHFHSA-N 0 0 394.559 4.486 40 0 GIABRN CC(C)N(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2c(c1)nc(Cl)n2C ZINC000222554415 570414213 /nfs/dbraw/zinc/41/42/13/570414213.db2.gz FHWUWULBJLKMTQ-UHFFFAOYSA-N 0 0 381.867 4.154 40 0 GIABRN Cc1cc(C)cc(N(CCCC(=O)Nc2ccccc2Cl)S(C)(=O)=O)c1 ZINC000222564974 570414718 /nfs/dbraw/zinc/41/47/18/570414718.db2.gz PAIWNDLFTIOINQ-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1O ZINC000222572835 570415036 /nfs/dbraw/zinc/41/50/36/570415036.db2.gz HVFUZUNPSXRJAS-AMKSKSKJSA-N 0 0 375.881 4.039 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc21 ZINC000222630050 570417528 /nfs/dbraw/zinc/41/75/28/570417528.db2.gz DXWKHTWEFGXONY-KRWDZBQOSA-N 0 0 392.474 4.075 40 0 GIABRN C[C@H](OC(=O)/C=C/c1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000110492837 570417582 /nfs/dbraw/zinc/41/75/82/570417582.db2.gz SWPXVCDCIBEVTP-MGHJUXKNSA-N 0 0 383.410 4.345 40 0 GIABRN COc1cc(NC(=O)c2cnc(-c3cccc(F)c3)nc2)c(OC)cc1Cl ZINC000222626580 570417574 /nfs/dbraw/zinc/41/75/74/570417574.db2.gz IOCIHADJHNHPPR-UHFFFAOYSA-N 0 0 387.798 4.206 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000222625727 570417598 /nfs/dbraw/zinc/41/75/98/570417598.db2.gz HOQBTAMKWICMRG-NZQKXSOJSA-N 0 0 394.559 4.302 40 0 GIABRN CCc1ccc(N(CCCC(=O)NC2CCCCCCC2)S(C)(=O)=O)cc1 ZINC000222645836 570418419 /nfs/dbraw/zinc/41/84/19/570418419.db2.gz MIFAKGROBRXAEI-UHFFFAOYSA-N 0 0 394.581 4.024 40 0 GIABRN CCOc1cc2c(cc1[C@H]1[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N31)OCO2 ZINC000222650723 570418693 /nfs/dbraw/zinc/41/86/93/570418693.db2.gz IURPESXPDIBJPM-GBLZOACLSA-N 0 0 397.500 4.188 40 0 GIABRN Cc1ccccc1CN(C(=O)CSc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C ZINC000222676266 570420149 /nfs/dbraw/zinc/42/01/49/570420149.db2.gz CRWMHQHZYXOJQH-SFHVURJKSA-N 0 0 398.572 4.419 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C ZINC000222682671 570420418 /nfs/dbraw/zinc/42/04/18/570420418.db2.gz MMJSNJAEGAMYSN-AWEZNQCLSA-N 0 0 393.314 4.008 40 0 GIABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3Cc3ccccn3)N21 ZINC000222711006 570421940 /nfs/dbraw/zinc/42/19/40/570421940.db2.gz RJUSZUDLJUIPMG-IOMROCGXSA-N 0 0 389.528 4.306 40 0 GIABRN Cc1ccc2[nH]c(=O)c(-c3nc4c(C)cccn4c3NC[C@H]3CCCO3)cc2c1 ZINC000035290695 570422548 /nfs/dbraw/zinc/42/25/48/570422548.db2.gz MZFPUNKSALDYTL-QGZVFWFLSA-N 0 0 388.471 4.051 40 0 GIABRN Cc1cccc(CN(C(=O)COc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222745005 570423459 /nfs/dbraw/zinc/42/34/59/570423459.db2.gz REQXURQFGQLVQS-IBGZPJMESA-N 0 0 396.531 4.014 40 0 GIABRN Cc1cccc(CN(C(=O)COc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222745065 570423554 /nfs/dbraw/zinc/42/35/54/570423554.db2.gz REQXURQFGQLVQS-LJQANCHMSA-N 0 0 396.531 4.014 40 0 GIABRN CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)o2)cc1 ZINC000222758098 570424423 /nfs/dbraw/zinc/42/44/23/570424423.db2.gz RIEQACAJAHZBOU-WOJBJXKFSA-N 0 0 379.485 4.343 40 0 GIABRN CCCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000222767961 570424995 /nfs/dbraw/zinc/42/49/95/570424995.db2.gz SHPNVMMUMYVYRZ-FQEVSTJZSA-N 0 0 380.532 4.343 40 0 GIABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000007380342 570425340 /nfs/dbraw/zinc/42/53/40/570425340.db2.gz LOFWSLWLKMRXFP-IBGZPJMESA-N 0 0 393.314 4.500 40 0 GIABRN CC(C)c1ccccc1OCC(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000222814225 570427318 /nfs/dbraw/zinc/42/73/18/570427318.db2.gz MZXMHFODUIULFU-UHFFFAOYSA-N 0 0 385.851 4.209 40 0 GIABRN COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)ccc1Cl ZINC000222845449 570428715 /nfs/dbraw/zinc/42/87/15/570428715.db2.gz PTKNAIPXSGPRGE-LLVKDONJSA-N 0 0 382.243 4.494 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222887555 570430117 /nfs/dbraw/zinc/43/01/17/570430117.db2.gz CTGJTVOIXPPQGN-GOSISDBHSA-N 0 0 398.522 4.399 40 0 GIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(OC)c1 ZINC000222887172 570430122 /nfs/dbraw/zinc/43/01/22/570430122.db2.gz JGNADRVEWVAAFE-SFTDATJTSA-N 0 0 392.528 4.263 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000222994061 570435694 /nfs/dbraw/zinc/43/56/94/570435694.db2.gz OSJIAFKXCGRDPM-QGZVFWFLSA-N 0 0 386.923 4.216 40 0 GIABRN CCSc1nnc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)s1 ZINC000222998273 570435993 /nfs/dbraw/zinc/43/59/93/570435993.db2.gz FPTGKKLGCBSCRM-CYBMUJFWSA-N 0 0 396.969 4.154 40 0 GIABRN Cc1ccccc1C(=O)OCC(=O)Nc1cc(C)c(Br)cc1C ZINC000007939762 570436802 /nfs/dbraw/zinc/43/68/02/570436802.db2.gz JBVXSCWAUBHSET-UHFFFAOYSA-N 0 0 376.250 4.170 40 0 GIABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1nc(-c2ccccc2)no1 ZINC000223033758 570438669 /nfs/dbraw/zinc/43/86/69/570438669.db2.gz OMTQGRSOXWFAOQ-KRWDZBQOSA-N 0 0 385.851 4.172 40 0 GIABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000223043681 570439390 /nfs/dbraw/zinc/43/93/90/570439390.db2.gz ABRHWMPTROIVPN-UHFFFAOYSA-N 0 0 394.283 4.194 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C ZINC000223084621 570442152 /nfs/dbraw/zinc/44/21/52/570442152.db2.gz MQVAHGSSHJARJU-NRFANRHFSA-N 0 0 394.559 4.488 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1C ZINC000223133212 570445912 /nfs/dbraw/zinc/44/59/12/570445912.db2.gz KCSZJGUEPHHMHO-HXUWFJFHSA-N 0 0 396.531 4.096 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F ZINC000223143132 570446798 /nfs/dbraw/zinc/44/67/98/570446798.db2.gz NHYDOVPAPICFLY-GOSISDBHSA-N 0 0 384.495 4.010 40 0 GIABRN CCOc1ccccc1N1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O ZINC000039918361 570447102 /nfs/dbraw/zinc/44/71/02/570447102.db2.gz AVXWBOHTQRIMSZ-ZDUSSCGKSA-N 0 0 392.377 4.096 40 0 GIABRN CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(C)=O ZINC000223192294 570449147 /nfs/dbraw/zinc/44/91/47/570449147.db2.gz BJDXOBGAXJQOOZ-QFIPXVFZSA-N 0 0 384.495 4.092 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 ZINC000223222536 570450488 /nfs/dbraw/zinc/45/04/88/570450488.db2.gz FOWRUMUQGSYRBC-NRFANRHFSA-N 0 0 398.522 4.399 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 ZINC000223267100 570454620 /nfs/dbraw/zinc/45/46/20/570454620.db2.gz PEBJLRRUMAYLFO-IBGZPJMESA-N 0 0 398.522 4.400 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C ZINC000223283191 570455742 /nfs/dbraw/zinc/45/57/42/570455742.db2.gz FSBIAXVVTLRFTH-GOSISDBHSA-N 0 0 384.495 4.010 40 0 GIABRN O[C@H]1[C@H](Cc2ccc(OC(F)F)cc2)SC(=S)N1Cc1ccccc1 ZINC000225392943 570455847 /nfs/dbraw/zinc/45/58/47/570455847.db2.gz GIQPGEWJDFGHGH-HOTGVXAUSA-N 0 0 381.469 4.051 40 0 GIABRN Cc1nccn1-c1ccc(CNC(=O)COc2cc(C)ccc2C(C)C)cc1 ZINC000223319368 570458094 /nfs/dbraw/zinc/45/80/94/570458094.db2.gz HMORMQWTIMJFKS-UHFFFAOYSA-N 0 0 377.488 4.308 40 0 GIABRN CNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223354870 570461267 /nfs/dbraw/zinc/46/12/67/570461267.db2.gz RBYWFWWCHFVXQJ-DEOSSOPVSA-N 0 0 386.495 4.135 40 0 GIABRN CCC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223367968 570462286 /nfs/dbraw/zinc/46/22/86/570462286.db2.gz FAIWMYANMGKLOD-KNQAVFIVSA-N 0 0 380.532 4.260 40 0 GIABRN CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1 ZINC000223524763 570469534 /nfs/dbraw/zinc/46/95/34/570469534.db2.gz PWZJIAHZGVNVJS-VQTJNVASSA-N 0 0 377.517 4.032 40 0 GIABRN CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C ZINC000223532009 570470022 /nfs/dbraw/zinc/47/00/22/570470022.db2.gz KHYKNTUAADAXCD-LEWJYISDSA-N 0 0 391.544 4.088 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 ZINC000223550365 570470836 /nfs/dbraw/zinc/47/08/36/570470836.db2.gz LHHBHTOVHSNUTQ-SFHVURJKSA-N 0 0 384.545 4.031 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000223702356 570479667 /nfs/dbraw/zinc/47/96/67/570479667.db2.gz MDYXQTNORUKVJZ-NRFANRHFSA-N 0 0 381.472 4.457 40 0 GIABRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccccc1 ZINC000000842924 570492541 /nfs/dbraw/zinc/49/25/41/570492541.db2.gz OLDRQSUONTVPAV-UHFFFAOYSA-N 0 0 376.799 4.393 40 0 GIABRN COC(=O)c1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1C ZINC000030758796 570495566 /nfs/dbraw/zinc/49/55/66/570495566.db2.gz NYFBLZANKFJVGO-UHFFFAOYSA-N 0 0 397.452 4.375 40 0 GIABRN CC(C)COc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c1 ZINC000006827298 570496239 /nfs/dbraw/zinc/49/62/39/570496239.db2.gz MUFCVDYKFOWRQE-UHFFFAOYSA-N 0 0 386.517 4.403 40 0 GIABRN CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c(Cl)c1 ZINC000030864308 570499502 /nfs/dbraw/zinc/49/95/02/570499502.db2.gz HUMCEIFRVRUGGW-UHFFFAOYSA-N 0 0 388.272 4.112 40 0 GIABRN CCOc1cc(NC(=O)c2cccc(OC)c2)c(OCC)cc1NC(=O)CC ZINC000000881418 570508195 /nfs/dbraw/zinc/50/81/95/570508195.db2.gz MMFQWOQUOCVMAP-UHFFFAOYSA-N 0 0 386.448 4.093 40 0 GIABRN O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1cc(Cl)ccc1Cl ZINC000032118992 570509215 /nfs/dbraw/zinc/50/92/15/570509215.db2.gz RYGBNQCXJOMQHT-UHFFFAOYSA-N 0 0 383.344 4.422 40 0 GIABRN Cc1cc(OCC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)ccc1Cl ZINC000032125099 570509531 /nfs/dbraw/zinc/50/95/31/570509531.db2.gz LHXGIIGSZBNAIG-UHFFFAOYSA-N 0 0 392.908 4.095 40 0 GIABRN Cc1ccc(Cl)cc1N1CCN(C(=O)C2(c3ccccc3)CCOCC2)CC1 ZINC000032672033 570513175 /nfs/dbraw/zinc/51/31/75/570513175.db2.gz CBNRGZCGVATWAO-UHFFFAOYSA-N 0 0 398.934 4.045 40 0 GIABRN Cc1ccc(-c2nnc(NC(=O)COc3ccc4c(c3)CCCC4)s2)cc1 ZINC000224463416 570514628 /nfs/dbraw/zinc/51/46/28/570514628.db2.gz MRJFYQPLMQLINS-UHFFFAOYSA-N 0 0 379.485 4.410 40 0 GIABRN Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)N3CCC[C@H](C)C3)n12 ZINC000000902997 570514630 /nfs/dbraw/zinc/51/46/30/570514630.db2.gz UBXDSAYCPXDFCS-ZDUSSCGKSA-N 0 0 382.533 4.158 40 0 GIABRN Cc1nc(NC(=O)CSc2nnc3c(C)cc4ccc(C)cc4n23)sc1C ZINC000000903089 570515168 /nfs/dbraw/zinc/51/51/68/570515168.db2.gz BXNVWOCZSOTCBO-UHFFFAOYSA-N 0 0 397.529 4.303 40 0 GIABRN CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2cccnc2)o1 ZINC000000905510 570516289 /nfs/dbraw/zinc/51/62/89/570516289.db2.gz BSRFDNQAFTYQKB-UHFFFAOYSA-N 0 0 382.489 4.051 40 0 GIABRN CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccc(O)cc1 ZINC000000907371 570517171 /nfs/dbraw/zinc/51/71/71/570517171.db2.gz DRVVZOCTMSFHHZ-OAHLLOKOSA-N 0 0 396.516 4.407 40 0 GIABRN CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(O)cc1 ZINC000000907354 570517207 /nfs/dbraw/zinc/51/72/07/570517207.db2.gz KYCQEASUSOAGRP-UHFFFAOYSA-N 0 0 382.489 4.018 40 0 GIABRN O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000000908033 570517220 /nfs/dbraw/zinc/51/72/20/570517220.db2.gz LGZZBKYHNQDACC-GOSISDBHSA-N 0 0 397.858 4.268 40 0 GIABRN CCc1noc(-c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)n1 ZINC000033012635 570517990 /nfs/dbraw/zinc/51/79/90/570517990.db2.gz GIBMCDBUDKMBMK-UHFFFAOYSA-N 0 0 391.349 4.335 40 0 GIABRN CC(C)(C)OC(=O)N1CCC2(CC(=O)c3ccc(Br)cc32)CC1 ZINC000091302714 570518719 /nfs/dbraw/zinc/51/87/19/570518719.db2.gz URJPFMASYLYQHL-UHFFFAOYSA-N 0 0 380.282 4.304 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 ZINC000224693182 570525181 /nfs/dbraw/zinc/52/51/81/570525181.db2.gz ZNQZSXLZVKYUFX-HXUWFJFHSA-N 0 0 380.532 4.098 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(CC)cc1 ZINC000224697922 570525204 /nfs/dbraw/zinc/52/52/04/570525204.db2.gz XKUJZGVHBHLINP-HXUWFJFHSA-N 0 0 394.559 4.434 40 0 GIABRN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCSC(C)(C)C)cc1 ZINC000224726488 570526889 /nfs/dbraw/zinc/52/68/89/570526889.db2.gz GKGMSIHWZWFEHU-JXAWBTAJSA-N 0 0 386.517 4.007 40 0 GIABRN CC(C)(C)c1ccc(CCC(=O)NCc2cccc(CN3CCOCC3)c2)cc1 ZINC000224725966 570527116 /nfs/dbraw/zinc/52/71/16/570527116.db2.gz VRUQMQHXZRFUIR-UHFFFAOYSA-N 0 0 394.559 4.065 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000224730118 570527337 /nfs/dbraw/zinc/52/73/37/570527337.db2.gz SFVAQDZUKNFVOF-FQEVSTJZSA-N 0 0 380.532 4.098 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccccc1 ZINC000224728885 570527469 /nfs/dbraw/zinc/52/74/69/570527469.db2.gz GXHNZOVJMYCTSY-FQEVSTJZSA-N 0 0 396.531 4.098 40 0 GIABRN CC12CC3(C)CC(C)(C1)CC(C(=O)NCC(=O)Nc1ccc(F)cc1F)(C2)C3 ZINC000033727008 570528728 /nfs/dbraw/zinc/52/87/28/570528728.db2.gz IBUGCXFWWZYTDP-UHFFFAOYSA-N 0 0 390.474 4.406 40 0 GIABRN Cc1cc(C)c(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)c(C)c1 ZINC000000917186 570531183 /nfs/dbraw/zinc/53/11/83/570531183.db2.gz SKENUOGROOMLLK-UHFFFAOYSA-N 0 0 391.500 4.173 40 0 GIABRN COc1ccc2c(cc(C)c3nnc(SCC(=O)N4[C@H](C)CCC[C@@H]4C)n32)c1 ZINC000000928491 570538849 /nfs/dbraw/zinc/53/88/49/570538849.db2.gz LVWLMARHOBDLCB-GASCZTMLSA-N 0 0 398.532 4.081 40 0 GIABRN C[C@@H](Sc1nnc(-c2ccncc2)o1)C(=O)c1ccc(Br)cc1 ZINC000001439937 570540755 /nfs/dbraw/zinc/54/07/55/570540755.db2.gz LWZJRVJJZMCJHZ-SNVBAGLBSA-N 0 0 390.262 4.258 40 0 GIABRN CCc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)n1C ZINC000000976228 570545585 /nfs/dbraw/zinc/54/55/85/570545585.db2.gz KCNOPQCGXOUUNL-UHFFFAOYSA-N 0 0 380.517 4.008 40 0 GIABRN CC(C)(C)OC(=O)N1CCN(Cc2cnc3ccccn23)[C@H](c2ccccc2)C1 ZINC000035572451 570554865 /nfs/dbraw/zinc/55/48/65/570554865.db2.gz OWMXTPYYDXANRF-FQEVSTJZSA-N 0 0 392.503 4.128 40 0 GIABRN Cc1ccc(C)c([C@H](C)NC(=O)c2cccc(I)c2)c1 ZINC000070134486 570556744 /nfs/dbraw/zinc/55/67/44/570556744.db2.gz FPSYDWOAOUWJOY-ZDUSSCGKSA-N 0 0 379.241 4.399 40 0 GIABRN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]21C ZINC000036371002 570560809 /nfs/dbraw/zinc/56/08/09/570560809.db2.gz GRLKBPPYPIEWDD-HXPUXFKHSA-N 0 0 384.516 4.431 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225281120 570561572 /nfs/dbraw/zinc/56/15/72/570561572.db2.gz RBSWGRDKGWDKDO-JOCHJYFZSA-N 0 0 398.522 4.319 40 0 GIABRN Cc1cc2cc(C)c(C)cc2n2c(SCC(=O)N3CCC(C)CC3)nnc12 ZINC000001223268 570564946 /nfs/dbraw/zinc/56/49/46/570564946.db2.gz FUJOECVYCBZQGL-UHFFFAOYSA-N 0 0 382.533 4.158 40 0 GIABRN CC(C)(C)[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(N)=O)c32)C1 ZINC000001326320 570566617 /nfs/dbraw/zinc/56/66/17/570566617.db2.gz JFBTUTLHWCNQGS-NSHDSACASA-N 0 0 375.563 4.297 40 0 GIABRN CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1 ZINC000225357695 570567224 /nfs/dbraw/zinc/56/72/24/570567224.db2.gz GOJLBOGRZUCRSA-SFTDATJTSA-N 0 0 392.528 4.384 40 0 GIABRN Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 ZINC000010336319 570569392 /nfs/dbraw/zinc/56/93/92/570569392.db2.gz CNXJJPHBEDPGIY-QGZVFWFLSA-N 0 0 388.533 4.220 40 0 GIABRN CCOc1ccc(NC(=S)N2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000001336881 570569838 /nfs/dbraw/zinc/56/98/38/570569838.db2.gz UWHJHUKVKXLKPQ-UHFFFAOYSA-N 0 0 398.528 4.386 40 0 GIABRN CC(=O)c1cccc(NC(=O)N2CCC[C@H]2C(=O)Nc2cc(C)ccc2C)c1 ZINC000001343597 570571712 /nfs/dbraw/zinc/57/17/12/570571712.db2.gz VPDQSALGNOQZTH-FQEVSTJZSA-N 0 0 379.460 4.141 40 0 GIABRN O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1 ZINC000001346838 570572714 /nfs/dbraw/zinc/57/27/14/570572714.db2.gz UIPCNMQYLZRBOJ-QGZVFWFLSA-N 0 0 392.286 4.306 40 0 GIABRN CCCn1c(SCC(=O)Nc2cccc(CC)c2)nnc1-c1cccnc1 ZINC000001362420 570576507 /nfs/dbraw/zinc/57/65/07/570576507.db2.gz XKHKCXQPGBPXMG-UHFFFAOYSA-N 0 0 381.505 4.043 40 0 GIABRN COc1ccc(-c2noc([C@@H]3CCCN(C(=O)CCC4CCCC4)C3)n2)cc1 ZINC000001362565 570576816 /nfs/dbraw/zinc/57/68/16/570576816.db2.gz VKBPDDWNXMZFGV-GOSISDBHSA-N 0 0 383.492 4.422 40 0 GIABRN COc1cccc(-c2noc([C@@H]3CCCN(C(=O)Nc4ccc(C)cc4)C3)n2)c1 ZINC000001362515 570576848 /nfs/dbraw/zinc/57/68/48/570576848.db2.gz MFHCXWXOROLDDF-QGZVFWFLSA-N 0 0 392.459 4.465 40 0 GIABRN CCCn1c(S[C@@H](C)C(=O)Nc2ccccc2C)nnc1-c1ccccn1 ZINC000001362678 570576888 /nfs/dbraw/zinc/57/68/88/570576888.db2.gz DBRFKYIIHXQEMN-HNNXBMFYSA-N 0 0 381.505 4.178 40 0 GIABRN CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3F)C3CC3)cc2c1 ZINC000001364845 570578415 /nfs/dbraw/zinc/57/84/15/570578415.db2.gz YRKPRULVFMALIG-UHFFFAOYSA-N 0 0 395.434 4.262 40 0 GIABRN COc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000001379611 570583189 /nfs/dbraw/zinc/58/31/89/570583189.db2.gz YTTYPUVLGZUWIU-MRXNPFEDSA-N 0 0 391.830 4.123 40 0 GIABRN O=C(NCc1ccccc1Cl)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 ZINC000001379858 570583588 /nfs/dbraw/zinc/58/35/88/570583588.db2.gz KPGNHIDQDNYKSC-QGZVFWFLSA-N 0 0 392.286 4.306 40 0 GIABRN COc1ccc2c(c1)CC[C@@H]1[C@H]3CCC(OC(C)=O)(OC(C)=O)[C@@]3(C)CC[C@@H]21 ZINC000002132568 570588308 /nfs/dbraw/zinc/58/83/08/570588308.db2.gz LMOAKIHOZGZJJD-KJJMTIBFSA-N 0 0 386.488 4.374 40 0 GIABRN CC(C)Oc1cccc(CCCNC(=S)Nc2ccc3c(c2)OCCO3)c1 ZINC000225565288 570588824 /nfs/dbraw/zinc/58/88/24/570588824.db2.gz PSDIXKIPHQIVEN-UHFFFAOYSA-N 0 0 386.517 4.164 40 0 GIABRN Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21 ZINC000040133244 570596079 /nfs/dbraw/zinc/59/60/79/570596079.db2.gz RMCAGPMISDBGBY-VAVQPMOSSA-N 0 0 381.495 4.112 40 0 GIABRN CC(C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1 ZINC000029738133 570604503 /nfs/dbraw/zinc/60/45/03/570604503.db2.gz WHHINEZOGXMHAY-UHFFFAOYSA-N 0 0 376.909 4.350 40 0 GIABRN COc1ccc2nc(SCC(=O)Nc3ccc(OC)cc3OC)c(C)cc2c1 ZINC000004127552 570616167 /nfs/dbraw/zinc/61/61/67/570616167.db2.gz QZNZFLFLNOTMSV-UHFFFAOYSA-N 0 0 398.484 4.300 40 0 GIABRN COc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccccc32)cc1OC ZINC000004129871 570616653 /nfs/dbraw/zinc/61/66/53/570616653.db2.gz HAVKZXNXCAAPBQ-UHFFFAOYSA-N 0 0 375.403 4.277 40 0 GIABRN CC1(C)[C@H]2CC[C@]1(C)c1nc(SCC(=O)Nc3ccc(Cl)cc3)nnc12 ZINC000004130174 570617000 /nfs/dbraw/zinc/61/70/00/570617000.db2.gz XYAWKAXZXMZRJW-ORAYPTAESA-N 0 0 388.924 4.431 40 0 GIABRN COc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)c(OC)c1 ZINC000004414528 570629239 /nfs/dbraw/zinc/62/92/39/570629239.db2.gz RWEBPFDIPFZAKG-UHFFFAOYSA-N 0 0 389.411 4.468 40 0 GIABRN Cc1cc2c(nc3s/c(=C/c4ccc(Cl)cc4Cl)c(=O)n23)c(C)c1 ZINC000004596825 570631270 /nfs/dbraw/zinc/63/12/70/570631270.db2.gz UCUOMJKXGZUVQN-VIZOYTHASA-N 0 0 375.280 4.381 40 0 GIABRN Cc1ccc(C(=O)NC2CCN(C(=S)Nc3cc(C)cc(C)c3)CC2)cc1 ZINC000004857729 570638755 /nfs/dbraw/zinc/63/87/55/570638755.db2.gz QJJXMAANROVODA-UHFFFAOYSA-N 0 0 381.545 4.203 40 0 GIABRN CCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccoc1C ZINC000004860601 570640122 /nfs/dbraw/zinc/64/01/22/570640122.db2.gz PISRMSVYDKGNCO-UHFFFAOYSA-N 0 0 398.488 4.190 40 0 GIABRN CC[C@@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1CCc1ccccc1 ZINC000004860765 570640522 /nfs/dbraw/zinc/64/05/22/570640522.db2.gz ZSOHUXACJHFNDT-OAHLLOKOSA-N 0 0 398.532 4.096 40 0 GIABRN O=C(NC1C[C@H]2CCC[C@@H](C1)N2C(=O)Nc1ccccc1C(F)(F)F)C1CC1 ZINC000004888275 570643120 /nfs/dbraw/zinc/64/31/20/570643120.db2.gz MGNVJIQPMFCGFT-GOOCMWNKSA-N 0 0 395.425 4.149 40 0 GIABRN O=C(c1cc2ccccc2oc1=O)N(Cc1ccco1)Cc1ccccc1F ZINC000004935245 570644866 /nfs/dbraw/zinc/64/48/66/570644866.db2.gz GWQBSCKXENLTOH-UHFFFAOYSA-N 0 0 377.371 4.368 40 0 GIABRN COC(=O)c1c(C)c(C(=O)Nc2cc(C)ccc2C)sc1NC(=O)C1CC1 ZINC000004954292 570646443 /nfs/dbraw/zinc/64/64/43/570646443.db2.gz UPASHFBJGDFLSM-UHFFFAOYSA-N 0 0 386.473 4.061 40 0 GIABRN Cn1c(CNC(=O)Nc2cccc(Cl)c2)nnc1SCc1ccccc1 ZINC000005001692 570651699 /nfs/dbraw/zinc/65/16/99/570651699.db2.gz VZXZINCCCNCGSW-UHFFFAOYSA-N 0 0 387.896 4.083 40 0 GIABRN CCOc1ccccc1NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCCC1 ZINC000005001810 570651806 /nfs/dbraw/zinc/65/18/06/570651806.db2.gz TZTQSHHRFAKVNI-UHFFFAOYSA-N 0 0 379.460 4.486 40 0 GIABRN CC(C)n1c2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2[nH]c1=O ZINC000005001850 570652344 /nfs/dbraw/zinc/65/23/44/570652344.db2.gz ZPGUSFMSDORWLF-UHFFFAOYSA-N 0 0 385.467 4.430 40 0 GIABRN CCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(CC)cc3)cc2s1 ZINC000059294039 570653047 /nfs/dbraw/zinc/65/30/47/570653047.db2.gz GZMSOLFPZYXQAG-UHFFFAOYSA-N 0 0 383.473 4.225 40 0 GIABRN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(Br)c(Cl)c1 ZINC000059289694 570653109 /nfs/dbraw/zinc/65/31/09/570653109.db2.gz PHQWRAVQLPWISK-QHHAFSJGSA-N 0 0 380.625 4.483 40 0 GIABRN Cc1ccc(NC(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)cc1 ZINC000004965460 570653907 /nfs/dbraw/zinc/65/39/07/570653907.db2.gz LLKHPYDVORRQDC-UHFFFAOYSA-N 0 0 385.895 4.209 40 0 GIABRN O=C(CSc1nnc2scc(-c3ccc(Cl)cc3)n12)N1CCCCC1 ZINC000004967219 570654151 /nfs/dbraw/zinc/65/41/51/570654151.db2.gz GRFCOZTYVYFROD-UHFFFAOYSA-N 0 0 392.937 4.216 40 0 GIABRN Cc1cccc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2cccc(C)c2)c1 ZINC000059502329 570659523 /nfs/dbraw/zinc/65/95/23/570659523.db2.gz BQBWLWDKDZJKQJ-UHFFFAOYSA-N 0 0 384.435 4.204 40 0 GIABRN Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)/C=C/c2ccccc2)cc1 ZINC000059502319 570659592 /nfs/dbraw/zinc/65/95/92/570659592.db2.gz OXBRBPXMFWERCH-DTQAZKPQSA-N 0 0 396.446 4.295 40 0 GIABRN C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000061239788 570661318 /nfs/dbraw/zinc/66/13/18/570661318.db2.gz HXKPPYRFMQPVBY-MRXNPFEDSA-N 0 0 391.496 4.131 40 0 GIABRN Fc1ccc2c(c1)C(c1cccnc1)=NNC(c1ccc(Br)cc1)=N2 ZINC000006445075 570670819 /nfs/dbraw/zinc/67/08/19/570670819.db2.gz YPUHDAFAKZWMCV-UHFFFAOYSA-N 0 0 395.235 4.417 40 0 GIABRN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cccc(O)c1)S[C@H](C)C(=O)N2 ZINC000006679050 570673135 /nfs/dbraw/zinc/67/31/35/570673135.db2.gz ZWNJSFAIHDFWSJ-AUUYWEPGSA-N 0 0 379.485 4.358 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@@H]3c2cccc(F)c2)cc1 ZINC000006679279 570673538 /nfs/dbraw/zinc/67/35/38/570673538.db2.gz ZVFKMGMRZHQTPN-ORAYPTAESA-N 0 0 397.475 4.492 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@H]3c2ccc(F)cc2)cc1 ZINC000006679291 570673545 /nfs/dbraw/zinc/67/35/45/570673545.db2.gz ZJUBFXCTOUIGQR-DJJJIMSYSA-N 0 0 397.475 4.492 40 0 GIABRN Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccc(O)cc1)S[C@@H](C)C(=O)N2 ZINC000006679193 570673602 /nfs/dbraw/zinc/67/36/02/570673602.db2.gz FGLBQFVSYJRSIR-KPZWWZAWSA-N 0 0 383.448 4.189 40 0 GIABRN COc1ccccc1[C@@H]1S[C@H](C)C(=O)Nc2c1c(C)nn2-c1ccc(F)cc1 ZINC000006679169 570673632 /nfs/dbraw/zinc/67/36/32/570673632.db2.gz QLTHGCMUXQYKPH-YJYMSZOUSA-N 0 0 397.475 4.492 40 0 GIABRN COc1ccccc1[C@H]1S[C@H](C)C(=O)Nc2c1c(C)nn2-c1ccc(F)cc1 ZINC000006679162 570673637 /nfs/dbraw/zinc/67/36/37/570673637.db2.gz QLTHGCMUXQYKPH-BFUOFWGJSA-N 0 0 397.475 4.492 40 0 GIABRN Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccc(O)cc1)S[C@@H](C)C(=O)N2 ZINC000006679199 570673643 /nfs/dbraw/zinc/67/36/43/570673643.db2.gz FGLBQFVSYJRSIR-SGTLLEGYSA-N 0 0 383.448 4.189 40 0 GIABRN CCOC(=O)C1C=Nc2cc(-c3ccc(OC)cc3)nn2[C@H]1c1ccccc1 ZINC000409026826 570694635 /nfs/dbraw/zinc/69/46/35/570694635.db2.gz ZCQVBYOSKCVWMM-NRFANRHFSA-N 0 0 375.428 4.021 40 0 GIABRN O=C1Nc2ccccc2S/C1=C\c1cccc(I)c1 ZINC000409102871 570699438 /nfs/dbraw/zinc/69/94/38/570699438.db2.gz WLGFSECFEZZEHN-ZROIWOOFSA-N 0 0 379.222 4.377 40 0 GIABRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O ZINC000409102817 570699542 /nfs/dbraw/zinc/69/95/42/570699542.db2.gz UHUQBMRVUAYSBH-LVLBFHFTSA-N 0 0 383.425 4.077 40 0 GIABRN C[C@@H](NC(=S)Nc1nc(Cl)cc(N2CCC[C@H](C)C2)n1)c1ccccc1 ZINC000260717637 570699776 /nfs/dbraw/zinc/69/97/76/570699776.db2.gz OSTXFTOOCYRENS-UONOGXRCSA-N 0 0 389.956 4.414 40 0 GIABRN CC(C)CNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCC[C@H](C)C2)n1 ZINC000260739774 570702072 /nfs/dbraw/zinc/70/20/72/570702072.db2.gz OXHWSSWLVXBEHS-INIZCTEOSA-N 0 0 399.564 4.448 40 0 GIABRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)S1 ZINC000260769300 570703474 /nfs/dbraw/zinc/70/34/74/570703474.db2.gz LLKDZNAIGMDENH-VOBQZIQPSA-N 0 0 376.485 4.167 40 0 GIABRN CCCOc1cc2c(cc1[C@@H]1[C@@H](c3ccccn3)N=C3S[C@H](C)CN31)OCO2 ZINC000260763091 570703935 /nfs/dbraw/zinc/70/39/35/570703935.db2.gz IKIPGGZFXIEIDM-SMHULIPUSA-N 0 0 397.500 4.188 40 0 GIABRN CCCC[C@@H](CC)CNC(=O)[C@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000260841699 570710072 /nfs/dbraw/zinc/71/00/72/570710072.db2.gz BROKJXCUUYGIJY-QUCCMNQESA-N 0 0 396.597 4.181 40 0 GIABRN CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OC(C)=O ZINC000001133024 570712255 /nfs/dbraw/zinc/71/22/55/570712255.db2.gz KKHKHJXNAWKGRP-PDGQHHTCSA-N 0 0 383.425 4.252 40 0 GIABRN O=C1S/C(=C\c2ccc(O)c(Br)c2)C(=O)N1c1ccccc1 ZINC000001153104 570712307 /nfs/dbraw/zinc/71/23/07/570712307.db2.gz FBSHROLRMRNOBU-ZROIWOOFSA-N 0 0 376.231 4.396 40 0 GIABRN O=C(COC(=O)c1cccc(Cl)c1)Nc1ccc(Br)cc1F ZINC000003385820 570724600 /nfs/dbraw/zinc/72/46/00/570724600.db2.gz FBDMYBLDVSPSSO-UHFFFAOYSA-N 0 0 386.604 4.037 40 0 GIABRN Cc1ccc(C)c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 ZINC000005184660 570731284 /nfs/dbraw/zinc/73/12/84/570731284.db2.gz ZXDYKZRDSMPFGD-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccccc1Cl ZINC000005448582 570732914 /nfs/dbraw/zinc/73/29/14/570732914.db2.gz FYXSWKKYCWSIML-UHFFFAOYSA-N 0 0 376.844 4.005 40 0 GIABRN COC(=O)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3Cc4ccccc4[C@H]32)cc1 ZINC000245241409 570742340 /nfs/dbraw/zinc/74/23/40/570742340.db2.gz DBNZSTWAWLVZQS-YESZJQIVSA-N 0 0 395.505 4.169 40 0 GIABRN Cc1c(C)n(C(=O)CN2CCN(c3cccc(Cl)c3)CC2)c2ccccc12 ZINC000037100484 570742387 /nfs/dbraw/zinc/74/23/87/570742387.db2.gz SKMZPKPNWFRZTA-UHFFFAOYSA-N 0 0 381.907 4.374 40 0 GIABRN O=C(Nc1ccccc1N1CCCC1)c1ccccc1I ZINC000006615586 570747826 /nfs/dbraw/zinc/74/78/26/570747826.db2.gz ZJAKPWSUTITBNR-UHFFFAOYSA-N 0 0 392.240 4.144 40 0 GIABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc3ccccc3c2)cc1 ZINC000006709367 570749673 /nfs/dbraw/zinc/74/96/73/570749673.db2.gz QVELPDPRMYTTGC-UHFFFAOYSA-N 0 0 377.469 4.315 40 0 GIABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(O[C@H](C)CC)cc2)cc1 ZINC000006713209 570749676 /nfs/dbraw/zinc/74/96/76/570749676.db2.gz LFDJWRDBWNOVEA-CQSZACIVSA-N 0 0 399.516 4.339 40 0 GIABRN COc1cccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000006762161 570750466 /nfs/dbraw/zinc/75/04/66/570750466.db2.gz AFQARYHMEANUCE-UHFFFAOYSA-N 0 0 377.878 4.085 40 0 GIABRN Cc1cc2nc(C3CCN(C(=O)CC4CCCC4)CC3)cc(C(F)(F)F)n2n1 ZINC000013226837 570750614 /nfs/dbraw/zinc/75/06/14/570750614.db2.gz MOLJJBIZFDIKRY-UHFFFAOYSA-N 0 0 394.441 4.343 40 0 GIABRN Cc1ccccc1CC(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21 ZINC000013227657 570751110 /nfs/dbraw/zinc/75/11/10/570751110.db2.gz OMDTYQOZBZXFQD-HXUWFJFHSA-N 0 0 386.499 4.219 40 0 GIABRN COc1ccc(CN2Cn3c4ccccc4nc3N(Cc3ccccc3)C2)cc1 ZINC000007499243 570759932 /nfs/dbraw/zinc/75/99/32/570759932.db2.gz JJXAAXFHTGGEAR-UHFFFAOYSA-N 0 0 384.483 4.482 40 0 GIABRN CC(C)CC(=O)NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000008053584 570764071 /nfs/dbraw/zinc/76/40/71/570764071.db2.gz MYJBDBXUJGFNGM-UHFFFAOYSA-N 0 0 395.322 4.246 40 0 GIABRN COc1cc(CNC(=O)c2ccc(Br)cc2)ccc1OC(C)C ZINC000013648224 570766831 /nfs/dbraw/zinc/76/68/31/570766831.db2.gz XXQGISUMUYHHJB-UHFFFAOYSA-N 0 0 378.266 4.175 40 0 GIABRN COc1ccccc1N1CCN(C(=O)[C@@H](C)Sc2ccc(Cl)cc2)CC1 ZINC000008199363 570767763 /nfs/dbraw/zinc/76/77/63/570767763.db2.gz ZQVMLEJRBRSJKV-OAHLLOKOSA-N 0 0 390.936 4.178 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=O)COc2ccccc2C(C)(C)C)c1 ZINC000008499148 570769585 /nfs/dbraw/zinc/76/95/85/570769585.db2.gz UMFABUTYSUIFLL-UHFFFAOYSA-N 0 0 375.852 4.442 40 0 GIABRN CN(c1ccc(N2CCCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000013669524 570770527 /nfs/dbraw/zinc/77/05/27/570770527.db2.gz JVZYEJZNSLIGAV-UHFFFAOYSA-N 0 0 385.316 4.419 40 0 GIABRN COc1cc(C=O)ccc1OCCCSc1nnc(-c2ccc(C)cc2)o1 ZINC000008731659 570771668 /nfs/dbraw/zinc/77/16/68/570771668.db2.gz XUNYSISDOYGRTD-UHFFFAOYSA-N 0 0 384.457 4.427 40 0 GIABRN COc1ccc(CCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000013676703 570772209 /nfs/dbraw/zinc/77/22/09/570772209.db2.gz BOMOYYZKSOPIQJ-UHFFFAOYSA-N 0 0 388.316 4.054 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1F)c1ccccc1F ZINC000008810649 570772563 /nfs/dbraw/zinc/77/25/63/570772563.db2.gz MBFBXOBFYICJRZ-UHFFFAOYSA-N 0 0 388.395 4.018 40 0 GIABRN COc1ccccc1C(=O)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 ZINC000008902674 570773388 /nfs/dbraw/zinc/77/33/88/570773388.db2.gz JUVGSSFKGVHCFN-UHFFFAOYSA-N 0 0 393.424 4.403 40 0 GIABRN C[C@@H](Oc1cccc2ccccc21)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000013709143 570777268 /nfs/dbraw/zinc/77/72/68/570777268.db2.gz NILNVOJYKSKRQF-QGZVFWFLSA-N 0 0 378.447 4.095 40 0 GIABRN CCOC(=O)c1cnc2nc(-c3ccc(Cl)cc3)nn2c1-c1ccccc1 ZINC000009926696 570777391 /nfs/dbraw/zinc/77/73/91/570777391.db2.gz LRMCNIDSNNTWLJ-UHFFFAOYSA-N 0 0 378.819 4.288 40 0 GIABRN CC[C@H](C(=O)Nc1ccccc1C(C)C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713578 570778250 /nfs/dbraw/zinc/77/82/50/570778250.db2.gz DMMSXXMJBRXTOQ-HXUWFJFHSA-N 0 0 388.533 4.302 40 0 GIABRN CC[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713356 570778367 /nfs/dbraw/zinc/77/83/67/570778367.db2.gz IAHUTDZHUBFCCM-SFHVURJKSA-N 0 0 394.924 4.140 40 0 GIABRN COc1ccc(OCC(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1 ZINC000010120134 570783240 /nfs/dbraw/zinc/78/32/40/570783240.db2.gz JXFZXTCGNZFPCN-UHFFFAOYSA-N 0 0 388.423 4.445 40 0 GIABRN Cc1ccc(N(CCCC(=O)Nc2c(C)cccc2C)S(C)(=O)=O)cc1C ZINC000010337996 570788749 /nfs/dbraw/zinc/78/87/49/570788749.db2.gz KPXQGPVVHWVPSS-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN CC(C)Oc1ccc(CCCNS(=O)(=O)Cc2cccc(Cl)c2)cc1 ZINC000010543378 570791953 /nfs/dbraw/zinc/79/19/53/570791953.db2.gz NYUOCGIEWYFSTK-UHFFFAOYSA-N 0 0 381.925 4.179 40 0 GIABRN O=C(CSCc1ccc(F)cc1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000014704046 570856094 /nfs/dbraw/zinc/85/60/94/570856094.db2.gz MFSJBYBYFNOJGJ-UHFFFAOYSA-N 0 0 398.459 4.221 40 0 GIABRN COc1ccccc1/C=C/C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000013982759 570868480 /nfs/dbraw/zinc/86/84/80/570868480.db2.gz YJGNFXYYZDXOPH-FOCLMDBBSA-N 0 0 378.472 4.410 40 0 GIABRN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000014007095 570875112 /nfs/dbraw/zinc/87/51/12/570875112.db2.gz AJLJOLRUOYYEIU-AWEZNQCLSA-N 0 0 398.846 4.269 40 0 GIABRN COc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000014006270 570875260 /nfs/dbraw/zinc/87/52/60/570875260.db2.gz HRDCCMANGUJSJZ-INIZCTEOSA-N 0 0 396.487 4.164 40 0 GIABRN COc1cc(OC)cc(-c2nnc3c4c5c(sc4ncn32)C[C@H](C)CC5)c1 ZINC000015084393 570879802 /nfs/dbraw/zinc/87/98/02/570879802.db2.gz MVLZNJZHTCOJEC-LLVKDONJSA-N 0 0 380.473 4.148 40 0 GIABRN Cc1nn(-c2ccccc2)c2oc(=O)c(NC(=O)c3ccc(Cl)cc3)cc12 ZINC000014291659 570882000 /nfs/dbraw/zinc/88/20/00/570882000.db2.gz RMLJTWLDPIQUFG-UHFFFAOYSA-N 0 0 379.803 4.193 40 0 GIABRN O=C(c1ccc(N2CCOCC2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000014396436 570882498 /nfs/dbraw/zinc/88/24/98/570882498.db2.gz PPYGLIWREWSUID-UHFFFAOYSA-N 0 0 386.495 4.366 40 0 GIABRN O=C(CSc1nc(=O)c2ccsc2[nH]1)Nc1ccc(Cl)cc1Cl ZINC000016543440 570888584 /nfs/dbraw/zinc/88/85/84/570888584.db2.gz BQFHPCOOPIXGGI-UHFFFAOYSA-N 0 0 386.285 4.022 40 0 GIABRN O=C(CSc1nc(=O)c2ccsc2[nH]1)Nc1cccc(Cl)c1Cl ZINC000016543443 570888605 /nfs/dbraw/zinc/88/86/05/570888605.db2.gz TZZMXSWDHIKZJV-UHFFFAOYSA-N 0 0 386.285 4.022 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)C[C@@H]3C=CCC3)CC2)on1 ZINC000257226812 570891095 /nfs/dbraw/zinc/89/10/95/570891095.db2.gz FMGZPMCFCCNLRX-GUDVDZBRSA-N 0 0 394.519 4.495 40 0 GIABRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccccc1 ZINC000015340178 570891753 /nfs/dbraw/zinc/89/17/53/570891753.db2.gz RWCKWKLCMXTAQC-QGZVFWFLSA-N 0 0 394.496 4.003 40 0 GIABRN COCc1nn2c(nnc3c2C[C@@H](c2ccc(C)cc2)CC3=O)c1-c1ccccc1 ZINC000014607737 570893591 /nfs/dbraw/zinc/89/35/91/570893591.db2.gz LHGDDZFUNWFCGQ-GOSISDBHSA-N 0 0 398.466 4.159 40 0 GIABRN O=C(Nc1ccc(I)cc1)c1ccc(Cl)cc1F ZINC000015423133 570893633 /nfs/dbraw/zinc/89/36/33/570893633.db2.gz QBXFCYHFGYOEFV-UHFFFAOYSA-N 0 0 375.568 4.336 40 0 GIABRN CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)c1 ZINC000014831695 570899326 /nfs/dbraw/zinc/89/93/26/570899326.db2.gz UAOFYPUDZDNHTQ-UHFFFAOYSA-N 0 0 399.516 4.195 40 0 GIABRN COc1ccc(NC(=O)c2c(N)n(C(=O)c3ccccc3)c3ccccc32)cc1 ZINC000016777524 570909771 /nfs/dbraw/zinc/90/97/71/570909771.db2.gz QIZFAUAWCLGDLT-UHFFFAOYSA-N 0 0 385.423 4.173 40 0 GIABRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)cc1 ZINC000017301107 570919957 /nfs/dbraw/zinc/91/99/57/570919957.db2.gz FOEJCWLAVAMWGM-UHFFFAOYSA-N 0 0 388.533 4.277 40 0 GIABRN Cc1ccc(NC(=O)OCc2ccccn2)cc1NC(=O)OCc1ccccn1 ZINC000016347559 570922959 /nfs/dbraw/zinc/92/29/59/570922959.db2.gz NKJGMBBBOJVGGC-UHFFFAOYSA-N 0 0 392.415 4.282 40 0 GIABRN Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1C ZINC000107739191 570923808 /nfs/dbraw/zinc/92/38/08/570923808.db2.gz BKPGJEJHKFDHHR-KRWDZBQOSA-N 0 0 388.533 4.220 40 0 GIABRN Cc1ccc(C(=O)N2CC3(CCOCC3)c3cc(-c4cn(C)nc4C)ccc32)o1 ZINC000585105716 570932618 /nfs/dbraw/zinc/93/26/18/570932618.db2.gz GOCQQHCSNOFELT-UHFFFAOYSA-N 0 0 391.471 4.006 40 0 GIABRN CC(=O)Nc1cccc(-c2ccc3c(c2)C2(CN3C(=O)C(C)C)CCOCC2)c1 ZINC000585105721 570932647 /nfs/dbraw/zinc/93/26/47/570932647.db2.gz HGAJLCWQWTZCHD-UHFFFAOYSA-N 0 0 392.499 4.363 40 0 GIABRN CCCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CCCC1)C2 ZINC000585106605 570936787 /nfs/dbraw/zinc/93/67/87/570936787.db2.gz CRMDKJGZEOTPIZ-HSZRJFAPSA-N 0 0 378.520 4.110 40 0 GIABRN Cc1ccc(-c2n[nH]c3c2CCN(C(=O)Cc2ccccc2Cl)CC3)cc1 ZINC000585110321 570939141 /nfs/dbraw/zinc/93/91/41/570939141.db2.gz FQFQRNOSBJBBCV-UHFFFAOYSA-N 0 0 379.891 4.208 40 0 GIABRN NC(=O)c1c(NC(=O)COc2cccc3ccccc32)sc2c1CCCCC2 ZINC000017080639 570940919 /nfs/dbraw/zinc/94/09/19/570940919.db2.gz URXSUZCJYOEQIU-UHFFFAOYSA-N 0 0 394.496 4.287 40 0 GIABRN O=C(OC1CCCC1)N1CC[C@H]2[C@@H]1CC(=O)N2Cc1c(Cl)cccc1Cl ZINC000585109054 570941070 /nfs/dbraw/zinc/94/10/70/570941070.db2.gz QICHZQDEWOGXJP-IRXDYDNUSA-N 0 0 397.302 4.248 40 0 GIABRN COc1ccccc1NC(=O)c1ccc(NCc2cc3n(n2)CCCC3)cc1 ZINC000650113175 570952708 /nfs/dbraw/zinc/95/27/08/570952708.db2.gz YKCHHLBFUDCTHV-UHFFFAOYSA-N 0 0 376.460 4.092 40 0 GIABRN CN1c2ccc(Br)cc2[Si](C)(C)c2cc(Br)ccc21 ZINC000195813285 570967427 /nfs/dbraw/zinc/96/74/27/570967427.db2.gz LPCGHCVTHMYGGW-UHFFFAOYSA-N 0 0 397.186 4.116 40 0 GIABRN CC(C)(C)c1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccnc2)c(=O)[nH]1 ZINC000019084394 570956311 /nfs/dbraw/zinc/95/63/11/570956311.db2.gz LZQSMMCWVLSKGH-LJQANCHMSA-N 0 0 395.890 4.240 40 0 GIABRN CC(C)C(=O)N1CCC[C@@](Cc2cccc(-c3cccs3)c2)(C(=O)N(C)C)C1 ZINC000019085409 570956496 /nfs/dbraw/zinc/95/64/96/570956496.db2.gz MJSKZSXWZAJRGD-QHCPKHFHSA-N 0 0 398.572 4.311 40 0 GIABRN Cc1cc(-c2cc(=O)n(Cc3ccc(F)cc3Cl)nc2-c2ccco2)on1 ZINC000019121155 570956895 /nfs/dbraw/zinc/95/68/95/570956895.db2.gz XVDDAXQNTUDNDB-UHFFFAOYSA-N 0 0 385.782 4.308 40 0 GIABRN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1c1[nH]ncc1-c1cc(C)no1 ZINC000019121056 570956960 /nfs/dbraw/zinc/95/69/60/570956960.db2.gz STWMZMQJIVCKCR-HNNXBMFYSA-N 0 0 386.839 4.012 40 0 GIABRN Cc1cc(C(F)F)nn1[C@@H](C)C(=O)N[C@@H](Cc1ccsc1)c1nccs1 ZINC000019119075 570957126 /nfs/dbraw/zinc/95/71/26/570957126.db2.gz YXLBQZAOYCSTHU-FZMZJTMJSA-N 0 0 396.488 4.308 40 0 GIABRN Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)C2CCCCC2)on1 ZINC000019121762 570957422 /nfs/dbraw/zinc/95/74/22/570957422.db2.gz WCASLQNCELOFON-GOSISDBHSA-N 0 0 397.523 4.140 40 0 GIABRN COc1cc2cc(C3CCN(C(=O)c4oc(C)nc4C)CC3)ncc2cc1C ZINC000019127175 570957978 /nfs/dbraw/zinc/95/79/78/570957978.db2.gz MWHGAYQXWFTODX-UHFFFAOYSA-N 0 0 379.460 4.176 40 0 GIABRN Cc1ccc(NC(=O)c2cc(C3CCN(C(=O)C4CCCC4)CC3)no2)cc1C ZINC000019214069 570961285 /nfs/dbraw/zinc/96/12/85/570961285.db2.gz XNRHEPSGTAVGFO-UHFFFAOYSA-N 0 0 395.503 4.440 40 0 GIABRN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4ccnn4C)C3)c(-c3ccncc3)c2c1 ZINC000019220305 570962760 /nfs/dbraw/zinc/96/27/60/570962760.db2.gz BKPASTKDFUIXFS-SFHVURJKSA-N 0 0 399.498 4.292 40 0 GIABRN COc1nc2cc(C)ccc2cc1CN(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000019234261 570965146 /nfs/dbraw/zinc/96/51/46/570965146.db2.gz ZOVWSZGHYUTRPT-NRFANRHFSA-N 0 0 377.488 4.128 40 0 GIABRN Cc1ccccc1OC[C@@H]1CCCN(C(=O)c2cccc(Cn3cccn3)c2)C1 ZINC000019237368 570966720 /nfs/dbraw/zinc/96/67/20/570966720.db2.gz BLHSGKGDXYXNIO-OAQYLSRUSA-N 0 0 389.499 4.171 40 0 GIABRN Cc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000019286794 570970030 /nfs/dbraw/zinc/97/00/30/570970030.db2.gz OYFMPTDTIVUQPZ-NRFANRHFSA-N 0 0 390.462 4.282 40 0 GIABRN NC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)C2CCCC2)C1 ZINC000019331536 570975115 /nfs/dbraw/zinc/97/51/15/570975115.db2.gz XEEIKQVCMSPPRQ-HSZRJFAPSA-N 0 0 396.556 4.242 40 0 GIABRN COc1cc(CNc2ccc(C)cc2)cc(I)c1OC ZINC000237260215 570979248 /nfs/dbraw/zinc/97/92/48/570979248.db2.gz UWQBEEZYMKDWJH-UHFFFAOYSA-N 0 0 383.229 4.229 40 0 GIABRN O=C(CCc1nc(-c2cccnc2)no1)N1CCCC[C@H]1CCc1ccccc1 ZINC000019371015 570980639 /nfs/dbraw/zinc/98/06/39/570980639.db2.gz AITBXBHIJDQTOB-FQEVSTJZSA-N 0 0 390.487 4.078 40 0 GIABRN CC(C)c1ccc(N(CC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)cc1 ZINC000240659125 570981820 /nfs/dbraw/zinc/98/18/20/570981820.db2.gz AHQKUNDVWXOFQC-UHFFFAOYSA-N 0 0 388.533 4.338 40 0 GIABRN O=C(CCC1CCCC1)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 ZINC000019406686 570983391 /nfs/dbraw/zinc/98/33/91/570983391.db2.gz MVLDHOCQNDYUJT-UHFFFAOYSA-N 0 0 385.533 4.175 40 0 GIABRN CC(C)NC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CC2)C1 ZINC000019449025 570985108 /nfs/dbraw/zinc/98/51/08/570985108.db2.gz LWMXGTXSJNAMEX-VWLOTQADSA-N 0 0 390.527 4.049 40 0 GIABRN COc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3C)CC2)cc1 ZINC000242687164 570985342 /nfs/dbraw/zinc/98/53/42/570985342.db2.gz CWDFYUZIHWMSFY-UHFFFAOYSA-N 0 0 386.879 4.148 40 0 GIABRN CC(C)c1nc2ccc(NC(=O)CCc3nc(-c4cccnc4)no3)cc2s1 ZINC000019453843 570986415 /nfs/dbraw/zinc/98/64/15/570986415.db2.gz VRLZMTALBPHXRN-UHFFFAOYSA-N 0 0 393.472 4.436 40 0 GIABRN CC1(C)Cc2c(cnn2Cc2cccc(Cl)c2)[C@H](NC(=O)c2ccccn2)C1 ZINC000019461652 570988819 /nfs/dbraw/zinc/98/88/19/570988819.db2.gz PLALATJBUBBUBH-LJQANCHMSA-N 0 0 394.906 4.423 40 0 GIABRN C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc(C(=O)c2ccc(F)cc2)c2ccncc21 ZINC000019496243 570989525 /nfs/dbraw/zinc/98/95/25/570989525.db2.gz WMMTXJZYFANOSN-FOIQADDNSA-N 0 0 393.462 4.101 40 0 GIABRN O=C(NCCCc1ccccc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000244313221 570989708 /nfs/dbraw/zinc/98/97/08/570989708.db2.gz XEPTWKSTFKFCMK-OAHLLOKOSA-N 0 0 391.298 4.095 40 0 GIABRN C[C@@H]1Cc2cc(CC(=O)N3CCC[C@H](COc4ccccc4F)C3)ccc2O1 ZINC000019498079 570990855 /nfs/dbraw/zinc/99/08/55/570990855.db2.gz INJNXKHWKBLGOA-AEFFLSMTSA-N 0 0 383.463 4.009 40 0 GIABRN CCC(=O)N1CCC[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 ZINC000019498615 570991097 /nfs/dbraw/zinc/99/10/97/570991097.db2.gz FDDOHOTZUGQCPA-QFIPXVFZSA-N 0 0 384.545 4.065 40 0 GIABRN CCC(CC)C(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3nc(C)cc3N2)CC1 ZINC000019500106 570992177 /nfs/dbraw/zinc/99/21/77/570992177.db2.gz CHLQHOFKKYLVPF-JKSUJKDBSA-N 0 0 386.462 4.154 40 0 GIABRN CCCC(=O)N1CC[C@@](Cc2ccccc2-c2cccc(C)c2)(C(=O)NCC)C1 ZINC000019501052 570992449 /nfs/dbraw/zinc/99/24/49/570992449.db2.gz PNJMUVMNWLISMO-VWLOTQADSA-N 0 0 392.543 4.359 40 0 GIABRN CCCC(=O)N1CC[C@](Cc2ccccc2-c2cccc(C)c2)(C(=O)NCC)C1 ZINC000019501053 570992537 /nfs/dbraw/zinc/99/25/37/570992537.db2.gz PNJMUVMNWLISMO-RUZDIDTESA-N 0 0 392.543 4.359 40 0 GIABRN CCCC(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 ZINC000019501265 570993137 /nfs/dbraw/zinc/99/31/37/570993137.db2.gz UKGQYHCJELMLQX-SOUVJXGZSA-N 0 0 382.499 4.210 40 0 GIABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3Cc3cccnc3)cc2N1 ZINC000019520780 570994047 /nfs/dbraw/zinc/99/40/47/570994047.db2.gz DHZSRFAIVMAKOQ-DJIMGWMZSA-N 0 0 379.430 4.313 40 0 GIABRN Cc1nn(C)cc1/C=C1/C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O ZINC000118916084 570994338 /nfs/dbraw/zinc/99/43/38/570994338.db2.gz AWVQXSVXAYIKEY-FBVYJEDASA-N 0 0 398.591 4.486 40 0 GIABRN CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3Cc3cccnc3)cc2n1 ZINC000019522348 570994975 /nfs/dbraw/zinc/99/49/75/570994975.db2.gz WKKXPODBWSQTHE-MRXNPFEDSA-N 0 0 375.398 4.043 40 0 GIABRN CCOc1cc2c(cc1CN[C@@H](Cc1cccs1)c1nccs1)OCO2 ZINC000019532517 570999199 /nfs/dbraw/zinc/99/91/99/570999199.db2.gz DGFBOHUEJBWSFY-HNNXBMFYSA-N 0 0 388.514 4.406 40 0 GIABRN COc1cc(CN[C@@H](Cc2cccs2)c2nccs2)cc(OC)c1OC ZINC000019549920 571000292 /nfs/dbraw/zinc/00/02/92/571000292.db2.gz IQGCGZOEFBMOJB-HNNXBMFYSA-N 0 0 390.530 4.304 40 0 GIABRN COc1cc2c(cc1CN[C@@H](Cc1ccsc1)c1nccs1)OCCO2 ZINC000019550644 571000924 /nfs/dbraw/zinc/00/09/24/571000924.db2.gz UTPANWILOIQGRT-HNNXBMFYSA-N 0 0 388.514 4.058 40 0 GIABRN Cc1sc(NC(=O)c2cc(C(C)C)n3ncnc3n2)nc1-c1ccc(F)cc1 ZINC000019555593 571002941 /nfs/dbraw/zinc/00/29/41/571002941.db2.gz VPWYJZKPJGALKT-UHFFFAOYSA-N 0 0 396.451 4.071 40 0 GIABRN COc1ccc(CCC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC000019554605 571003064 /nfs/dbraw/zinc/00/30/64/571003064.db2.gz VZMUTQKYSPRQQS-JOCHJYFZSA-N 0 0 389.499 4.066 40 0 GIABRN Cc1nc(C2CCN(C(=O)c3ccccc3F)CC2)sc1-c1ccncn1 ZINC000019560731 571005293 /nfs/dbraw/zinc/00/52/93/571005293.db2.gz VVYXQKPBRDTHOK-UHFFFAOYSA-N 0 0 382.464 4.067 40 0 GIABRN COc1ccc2c(C)c(C(=O)N[C@H](c3nccn3C)c3ccc(F)cc3)oc2c1 ZINC000019565761 571007478 /nfs/dbraw/zinc/00/74/78/571007478.db2.gz KLPCJOMXNBGUMG-IBGZPJMESA-N 0 0 393.418 4.142 40 0 GIABRN Cc1cc(C)cc(C(=O)N[C@H](C)Cn2c(C(F)(F)F)cc3cccnc32)c1 ZINC000019569510 571009181 /nfs/dbraw/zinc/00/91/81/571009181.db2.gz YIOCCWQURNRCJA-CQSZACIVSA-N 0 0 375.394 4.490 40 0 GIABRN CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)C2CC2)C1 ZINC000019578774 571012598 /nfs/dbraw/zinc/01/25/98/571012598.db2.gz MJTYMDXPZGBJPT-QHCPKHFHSA-N 0 0 396.556 4.065 40 0 GIABRN CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)C2CC2)C1 ZINC000019578758 571012770 /nfs/dbraw/zinc/01/27/70/571012770.db2.gz HVCYPDVBJLVLNR-RUZDIDTESA-N 0 0 390.527 4.003 40 0 GIABRN Cc1occc1-c1nc(NCCc2cccc(F)c2)ncc1-c1cnccn1 ZINC000019583094 571014218 /nfs/dbraw/zinc/01/42/18/571014218.db2.gz PXAQSMNIUMCHDC-UHFFFAOYSA-N 0 0 375.407 4.296 40 0 GIABRN CC[C@@H](c1ccc(F)cc1)N(C)C(=O)CCn1c(=O)oc2cc(Cl)ccc21 ZINC000019661527 571025885 /nfs/dbraw/zinc/02/58/85/571025885.db2.gz INFXFNMWXIPZFU-INIZCTEOSA-N 0 0 390.842 4.387 40 0 GIABRN Cc1c(-c2csc(NC(=O)c3ccc(C)c(N4CCCC4)c3)n2)cnn1C ZINC000019663996 571027037 /nfs/dbraw/zinc/02/70/37/571027037.db2.gz IOYVUBRGCVSXRK-UHFFFAOYSA-N 0 0 381.505 4.013 40 0 GIABRN CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 ZINC000019664327 571027147 /nfs/dbraw/zinc/02/71/47/571027147.db2.gz HUMLWANVJQDCQH-HNNXBMFYSA-N 0 0 394.475 4.148 40 0 GIABRN COc1cccc2cc(C(=O)Nc3nc(-c4ccccn4)cs3)c(C)nc21 ZINC000019664754 571027290 /nfs/dbraw/zinc/02/72/90/571027290.db2.gz XGIURUZBOVEVFO-UHFFFAOYSA-N 0 0 376.441 4.323 40 0 GIABRN Cc1cc(Cc2ccccc2F)cc(C2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000019691694 571029516 /nfs/dbraw/zinc/02/95/16/571029516.db2.gz HBMOQQDRDUBGGH-JOCHJYFZSA-N 0 0 382.479 4.005 40 0 GIABRN CCN(CC)C(=O)[C@H]1CCCN(C(=S)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000019691454 571029594 /nfs/dbraw/zinc/02/95/94/571029594.db2.gz LXXOXCLXYJHVIM-LBPRGKRZSA-N 0 0 388.364 4.271 40 0 GIABRN Cc1noc2nc(C(C)C)cc(C(=O)NCCc3nc4cc(C)c(C)cc4[nH]3)c12 ZINC000019714632 571036374 /nfs/dbraw/zinc/03/63/74/571036374.db2.gz DMVSISIMYJRHMB-UHFFFAOYSA-N 0 0 391.475 4.120 40 0 GIABRN CC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1sc2ncn(CC)c(=O)c2c1C ZINC000019717333 571039409 /nfs/dbraw/zinc/03/94/09/571039409.db2.gz WHSXBFZRBCFPSV-HNNXBMFYSA-N 0 0 387.480 4.149 40 0 GIABRN CCc1cccc(C)c1Nc1cc(-c2ccccn2)nc(N[C@H](CO)C(C)C)n1 ZINC000328966967 571047864 /nfs/dbraw/zinc/04/78/64/571047864.db2.gz CPWGNXYKDZIPBC-HXUWFJFHSA-N 0 0 391.519 4.004 40 0 GIABRN Fc1cc(Br)ccc1Nc1cc(-c2ccccc2)nc(NC2CC2)n1 ZINC000328969086 571048165 /nfs/dbraw/zinc/04/81/65/571048165.db2.gz DCTQPGYMBWUCDS-UHFFFAOYSA-N 0 0 399.267 4.207 40 0 GIABRN CC(C)n1cnc2c1[C@@H](C(=O)NC1CCCCCC1)N(Cc1ccccc1)CC2 ZINC000096037541 571096725 /nfs/dbraw/zinc/09/67/25/571096725.db2.gz XXNZVBYXPQVHOM-QHCPKHFHSA-N 0 0 394.563 4.402 40 0 GIABRN COc1ccccc1CNC(=O)c1ccc2onc(-c3csc(C)n3)c2c1 ZINC000096037857 571096812 /nfs/dbraw/zinc/09/68/12/571096812.db2.gz PLKZGZXIMVOXGZ-UHFFFAOYSA-N 0 0 379.441 4.198 40 0 GIABRN COCCn1c(C(=O)Nc2cccnc2)cc2c1c1ccccc1n2C(C)C ZINC000096037308 571096933 /nfs/dbraw/zinc/09/69/33/571096933.db2.gz SQHYBUWBXMMDOI-UHFFFAOYSA-N 0 0 376.460 4.471 40 0 GIABRN O=C(c1cccs1)N1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1 ZINC000096038188 571097381 /nfs/dbraw/zinc/09/73/81/571097381.db2.gz GTFGAKYWUYLEGE-UHFFFAOYSA-N 0 0 388.496 4.478 40 0 GIABRN O=C(C[C@H]1CC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21)NC1CC1 ZINC000096053002 571097666 /nfs/dbraw/zinc/09/76/66/571097666.db2.gz PLLZLMCCHXUWKJ-KRWDZBQOSA-N 0 0 394.540 4.078 40 0 GIABRN O=C(Nc1ccc(I)cc1)OCCCc1ccccc1 ZINC000003090193 817417709 /nfs/dbraw/zinc/41/77/09/817417709.db2.gz MDHCHELIPCKPEJ-UHFFFAOYSA-N 0 0 381.213 4.473 40 0 GIABRN CC[C@@H](C)NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000004019087 817497205 /nfs/dbraw/zinc/49/72/05/817497205.db2.gz VUDPZINYFLDCFP-YVLXSGLVSA-N 0 0 384.377 4.211 40 0 GIABRN COC(=O)C1=C(C)N(c2ccc(C(F)(F)F)cc2)C(=O)/C1=C\c1ccco1 ZINC000006348356 817681025 /nfs/dbraw/zinc/68/10/25/817681025.db2.gz CORAXKWNKIOFOC-GDNBJRDFSA-N 0 0 377.318 4.176 40 0 GIABRN CCOc1cc([C@H]2NN=C(c3ccccc3)S2)cc(Br)c1O ZINC000006464410 817695327 /nfs/dbraw/zinc/69/53/27/817695327.db2.gz RLPLGTHIKFHIGS-INIZCTEOSA-N 0 0 379.279 4.250 40 0 GIABRN Cc1ccc(N(CC(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)c(C)c1 ZINC000006472704 817696763 /nfs/dbraw/zinc/69/67/63/817696763.db2.gz QHPUGSNCJKPAKN-UHFFFAOYSA-N 0 0 388.533 4.140 40 0 GIABRN COc1cccc(OC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000006479894 817697183 /nfs/dbraw/zinc/69/71/83/817697183.db2.gz VFDBNRRJLAINLS-UHFFFAOYSA-N 0 0 396.464 4.197 40 0 GIABRN C=CCOc1cccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000006614046 817710928 /nfs/dbraw/zinc/71/09/28/817710928.db2.gz YFJGBWHELHBNMX-LDADJPATSA-N 0 0 396.424 4.396 40 0 GIABRN CSc1nnc(C)n1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000006861488 817720704 /nfs/dbraw/zinc/72/07/04/817720704.db2.gz MVRILBUMJUZZGP-UHFFFAOYSA-N 0 0 383.260 4.259 40 0 GIABRN Cc1cccc(NC(=O)COc2cccc(C=C3C(=O)c4ccccc4C3=O)c2)c1 ZINC000006867521 817721171 /nfs/dbraw/zinc/72/11/71/817721171.db2.gz RPPZLQHQXKLIHT-UHFFFAOYSA-N 0 0 397.430 4.475 40 0 GIABRN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000006932036 817727436 /nfs/dbraw/zinc/72/74/36/817727436.db2.gz KZQJRTODKNGHNR-HNNXBMFYSA-N 0 0 393.314 4.418 40 0 GIABRN CCCN(CCC)C(=O)CSc1nnc(CCc2ccccc2)n1CCC ZINC000006947910 817727938 /nfs/dbraw/zinc/72/79/38/817727938.db2.gz RXQXCBVSRSKQLZ-UHFFFAOYSA-N 0 0 388.581 4.214 40 0 GIABRN CCN1C(=O)N/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O ZINC000006951876 817728600 /nfs/dbraw/zinc/72/86/00/817728600.db2.gz IKJNJZVJWWYHDW-MHWRWJLKSA-N 0 0 391.254 4.485 40 0 GIABRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1O[C@@H](C)CC ZINC000007078408 817754816 /nfs/dbraw/zinc/75/48/16/817754816.db2.gz AKVLDKJBIXUZQS-HUCUOGIVSA-N 0 0 394.471 4.356 40 0 GIABRN CSc1nc2sc(C(=O)N3CCC(C)CC3)cc2c(N2CCCCC2)n1 ZINC000007604214 817877928 /nfs/dbraw/zinc/87/79/28/817877928.db2.gz GKLOFKPJDWOKKH-UHFFFAOYSA-N 0 0 390.578 4.276 40 0 GIABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000007688955 817895969 /nfs/dbraw/zinc/89/59/69/817895969.db2.gz OHRZJTSFNWUGQD-UHFFFAOYSA-N 0 0 391.423 4.410 40 0 GIABRN Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c(C)cc1Br ZINC000007881841 817949620 /nfs/dbraw/zinc/94/96/20/817949620.db2.gz LETWZATYVYNXMS-CQSZACIVSA-N 0 0 387.277 4.058 40 0 GIABRN CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cccc(C(C)=O)c2)CC1=O ZINC000007928182 817961643 /nfs/dbraw/zinc/96/16/43/817961643.db2.gz VYIAPTUGEBVJBA-IBGZPJMESA-N 0 0 378.472 4.006 40 0 GIABRN COc1ccccc1N1C[C@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O ZINC000007929015 817962364 /nfs/dbraw/zinc/96/23/64/817962364.db2.gz QECSJGGLEAHNMU-LJQANCHMSA-N 0 0 387.435 4.321 40 0 GIABRN C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccccc1 ZINC000007928379 817962430 /nfs/dbraw/zinc/96/24/30/817962430.db2.gz MPIHPPPFUSMKDF-JSGCOSHPSA-N 0 0 377.271 4.224 40 0 GIABRN COc1ccccc1N1C[C@H](C(=O)Oc2ccccc2-c2ccccc2)CC1=O ZINC000007929023 817962459 /nfs/dbraw/zinc/96/24/59/817962459.db2.gz ZIWUXBDBAXAHTP-GOSISDBHSA-N 0 0 387.435 4.321 40 0 GIABRN CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2cccc3cccnc32)CC1=O ZINC000007929342 817963017 /nfs/dbraw/zinc/96/30/17/817963017.db2.gz VMQCGUQRJSUMNB-IBGZPJMESA-N 0 0 388.467 4.318 40 0 GIABRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccco1 ZINC000008023083 817984716 /nfs/dbraw/zinc/98/47/16/817984716.db2.gz BHXRCMSBJJBYLB-VIOKTNGOSA-N 0 0 395.455 4.073 40 0 GIABRN CCc1ccc(NC(=O)COc2ccc(C(=S)N3CCCCC3)cc2)cc1 ZINC000008086061 817997073 /nfs/dbraw/zinc/99/70/73/817997073.db2.gz JBGMZOXQYOCNTI-UHFFFAOYSA-N 0 0 382.529 4.428 40 0 GIABRN COc1cc(Cl)c(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000008106838 818001207 /nfs/dbraw/zinc/00/12/07/818001207.db2.gz FGCBIZRZFKVMNE-VGOFMYFVSA-N 0 0 393.226 4.108 40 0 GIABRN Cc1ncc(CN2CCO[C@H](c3ccc(Cc4ccc(C)cc4)cn3)C2)s1 ZINC000019692270 818598839 /nfs/dbraw/zinc/59/88/39/818598839.db2.gz HEELEBPWEVIEAC-QFIPXVFZSA-N 0 0 379.529 4.319 40 0 GIABRN O=C(c1ccccc1)N1CCO[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000019693171 818599484 /nfs/dbraw/zinc/59/94/84/818599484.db2.gz POPXFIUWOCDPQI-GOSISDBHSA-N 0 0 379.847 4.011 40 0 GIABRN Cc1nnc2n1C[C@@H](c1cccc(NC(=O)C(C)(C)c3cccc(F)c3)c1)CC2 ZINC000019698180 818599944 /nfs/dbraw/zinc/59/99/44/818599944.db2.gz UCZPXUZMPCYJHH-KRWDZBQOSA-N 0 0 392.478 4.372 40 0 GIABRN CCN(C(C)=O)[C@@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)C2(C1)CCCCC2 ZINC000019703852 818600647 /nfs/dbraw/zinc/60/06/47/818600647.db2.gz HNZRPEHDYDURPR-SFHVURJKSA-N 0 0 385.483 4.093 40 0 GIABRN CNC(=O)C1(Cc2ccc(-c3cccc(C)c3)cc2)CCN(C(=O)C(C)C)CC1 ZINC000019700512 818600810 /nfs/dbraw/zinc/60/08/10/818600810.db2.gz XRTUSIFFSUPTOL-UHFFFAOYSA-N 0 0 392.543 4.215 40 0 GIABRN Cc1ccc(CSCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000020242095 818617521 /nfs/dbraw/zinc/61/75/21/818617521.db2.gz VSHXXBZXHUULNP-VMPITWQZSA-N 0 0 380.557 4.086 40 0 GIABRN O=C(CSCc1cccc(Br)c1)N1CCc2ccccc2C1 ZINC000020238255 818617651 /nfs/dbraw/zinc/61/76/51/818617651.db2.gz MSJFHMJJLICHFJ-UHFFFAOYSA-N 0 0 376.319 4.267 40 0 GIABRN N=c1nc(Sc2ccc(C=NNc3ccccc3)cc2[N+](=O)[O-])ss1 ZINC000059488817 823496628 /nfs/dbraw/zinc/49/66/28/823496628.db2.gz OPVMDAJINDJJIG-SJHDLYFVSA-N 0 0 389.487 4.189 40 0 GIABRN O=C(CSCc1cccc(Cl)c1)N1CCN(c2ccccc2F)CC1 ZINC000044817701 821669031 /nfs/dbraw/zinc/66/90/31/821669031.db2.gz QFMNZNQTIZCIMG-UHFFFAOYSA-N 0 0 378.900 4.061 40 0 GIABRN CC(C)(C)C1=C[C@H](NC(=O)c2ccccc2)CC[C@@H]1NC(=O)c1ccccc1 ZINC000575624070 823979369 /nfs/dbraw/zinc/97/93/69/823979369.db2.gz AXUXBPLPBVGUTJ-CTNGQTDRSA-N 0 0 376.500 4.350 40 0 GIABRN Cc1cccc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 ZINC000006056773 230843492 /nfs/dbraw/zinc/84/34/92/230843492.db2.gz ULGHAPYIPSUECO-LBPRGKRZSA-N 0 0 382.243 4.251 40 0 GIABRN O=C(NCCCc1ccc(Cl)cc1)c1ccc(I)cc1 ZINC000010542394 230875453 /nfs/dbraw/zinc/87/54/53/230875453.db2.gz GKWJKSNZFGLMDA-UHFFFAOYSA-N 0 0 399.659 4.307 40 0 GIABRN CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000409237048 529382887 /nfs/dbraw/zinc/38/28/87/529382887.db2.gz VIITXIWMODRSNA-PUMYGXPMSA-N 0 0 394.471 4.274 40 0 GIABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3C)o2)cc1 ZINC000151454209 231026571 /nfs/dbraw/zinc/02/65/71/231026571.db2.gz JSAVPDPTDWRBSF-UHFFFAOYSA-N 0 0 383.473 4.305 40 0 GIABRN Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(O)c(Cl)c3)C2=O)cc1 ZINC000106781421 231019297 /nfs/dbraw/zinc/01/92/97/231019297.db2.gz ZHADPIDBYXZSFQ-BOPFTXTBSA-N 0 0 389.860 4.469 40 0 GIABRN Cc1c(Nc2cc(C3CC3)nc(N[C@@H](CO)C(C)C)n2)cccc1C(F)(F)F ZINC000329022676 231047241 /nfs/dbraw/zinc/04/72/41/231047241.db2.gz OPGAPVHKRLIPDA-KRWDZBQOSA-N 0 0 394.441 4.276 40 0 GIABRN Cc1ccccc1NC(=O)CNC(=O)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000408561310 231061683 /nfs/dbraw/zinc/06/16/83/231061683.db2.gz HPCWPJHWNSCAPB-UHFFFAOYSA-N 0 0 398.846 4.189 40 0 GIABRN Cc1ccc(OCc2ccc(C(=O)NCC(=O)Nc3ccc(C)c(C)c3)o2)cc1 ZINC000408561096 231062284 /nfs/dbraw/zinc/06/22/84/231062284.db2.gz GOFHNHNRWMIXJT-UHFFFAOYSA-N 0 0 392.455 4.152 40 0 GIABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 ZINC000408562751 231062766 /nfs/dbraw/zinc/06/27/66/231062766.db2.gz RZAGGHNVNUDCCO-UHFFFAOYSA-N 0 0 393.896 4.077 40 0 GIABRN O=c1[nH]c(CSc2nc3c(c(C(F)(F)F)n2)CCCC3)nc2ccccc21 ZINC000408580138 231066550 /nfs/dbraw/zinc/06/65/50/231066550.db2.gz AKSJKXKLBVDMJV-UHFFFAOYSA-N 0 0 392.406 4.315 40 0 GIABRN Cc1cc(C)c(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)c(C)c1 ZINC000408584537 231068096 /nfs/dbraw/zinc/06/80/96/231068096.db2.gz QZLRDDYIUCCZDV-UHFFFAOYSA-N 0 0 388.533 4.107 40 0 GIABRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)c(C)c1 ZINC000408681765 231094358 /nfs/dbraw/zinc/09/43/58/231094358.db2.gz SJWDJHIKIZFHRA-SFHVURJKSA-N 0 0 380.488 4.336 40 0 GIABRN O=C(Cc1ccccc1)Sc1nnc(-c2ccc(Br)cc2)o1 ZINC000408691889 231095194 /nfs/dbraw/zinc/09/51/94/231095194.db2.gz WIFSPNKIHRJPBO-UHFFFAOYSA-N 0 0 375.247 4.361 40 0 GIABRN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccccc1Br ZINC000408700889 231098662 /nfs/dbraw/zinc/09/86/62/231098662.db2.gz NSJMELKOMUASPP-UHFFFAOYSA-N 0 0 384.295 4.382 40 0 GIABRN O=C(NCc1cccc(Cl)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408707791 231101207 /nfs/dbraw/zinc/10/12/07/231101207.db2.gz LZHHMRRSMLNUOX-GFCCVEGCSA-N 0 0 397.689 4.316 40 0 GIABRN Cc1ccc(NC(=O)C(=O)NCc2ccc(C(C)C)cc2)c(Br)c1 ZINC000408709866 231102449 /nfs/dbraw/zinc/10/24/49/231102449.db2.gz YLNXPWKJJMFORV-UHFFFAOYSA-N 0 0 389.293 4.136 40 0 GIABRN NN=c1[nH]c2ccccc2c(=O)n1-c1cc(Cl)ccc1Oc1ccccc1 ZINC000408712807 231102915 /nfs/dbraw/zinc/10/29/15/231102915.db2.gz STEMMRIDTVMWTI-UHFFFAOYSA-N 0 0 378.819 4.117 40 0 GIABRN CCn1cc(C(=O)N[C@@H](C)CCc2ccccc2)c(=O)c2cc(Cl)ccc21 ZINC000408713438 231103839 /nfs/dbraw/zinc/10/38/39/231103839.db2.gz YSUIBGZJSDVSFJ-HNNXBMFYSA-N 0 0 382.891 4.426 40 0 GIABRN COc1ccc(/C=C2/SC(=O)N(CNc3ccc(C)cc3)C2=O)cc1OC ZINC000408727790 231106259 /nfs/dbraw/zinc/10/62/59/231106259.db2.gz RZPJIQFZTLSOEY-WOJGMQOQSA-N 0 0 384.457 4.118 40 0 GIABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)c(Cl)c1 ZINC000408628010 231088095 /nfs/dbraw/zinc/08/80/95/231088095.db2.gz PKHRZBIPKMIBNT-UHFFFAOYSA-N 0 0 389.908 4.370 40 0 GIABRN O=C(NC(=S)Nc1ccc(Br)cc1F)c1ccccc1Cl ZINC000408628584 231088972 /nfs/dbraw/zinc/08/89/72/231088972.db2.gz VDDIJEBEXYJJRR-UHFFFAOYSA-N 0 0 387.661 4.368 40 0 GIABRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5OC(=O)[C@@H]3[C@H]5C4)cc2)cc1C ZINC000408656091 231091912 /nfs/dbraw/zinc/09/19/12/231091912.db2.gz HGBZAHBNBFWQOV-FVXHZLDESA-N 0 0 377.440 4.232 40 0 GIABRN O=C(CCNC(=O)OCc1ccccc1)Nc1nc(-c2ccccc2)cs1 ZINC000408736728 231108367 /nfs/dbraw/zinc/10/83/67/231108367.db2.gz GMJPDFFPUNPKEC-UHFFFAOYSA-N 0 0 381.457 4.065 40 0 GIABRN Cc1ccc2nc(NC(=O)[C@@H]3CCCN3C(=O)OCc3ccccc3)sc2c1 ZINC000408736741 231108511 /nfs/dbraw/zinc/10/85/11/231108511.db2.gz GSKKKQBUCRWZNC-KRWDZBQOSA-N 0 0 395.484 4.344 40 0 GIABRN C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000408998568 231144703 /nfs/dbraw/zinc/14/47/03/231144703.db2.gz MFLSJRSBHMUMTP-COPCDDAFSA-N 0 0 394.515 4.219 40 0 GIABRN O=C(CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)Nc1cccc(F)c1 ZINC000409233521 231184669 /nfs/dbraw/zinc/18/46/69/231184669.db2.gz SRKGAXLECSJONP-OVCLIPMQSA-N 0 0 390.823 4.154 40 0 GIABRN O=C(CN1C(=O)S/C(=C/c2ccsc2)C1=O)Nc1ccccc1Cl ZINC000409239240 231185890 /nfs/dbraw/zinc/18/58/90/231185890.db2.gz OXZYYAINBXOISC-NTUHNPAUSA-N 0 0 378.862 4.077 40 0 GIABRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2)C1=O ZINC000409323947 231189635 /nfs/dbraw/zinc/18/96/35/231189635.db2.gz QGICCJLDLVPHEI-CXUHLZMHSA-N 0 0 386.860 4.323 40 0 GIABRN Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)c1 ZINC000409380459 231198635 /nfs/dbraw/zinc/19/86/35/231198635.db2.gz DVGMRURKMBGWRF-QGZVFWFLSA-N 0 0 396.512 4.250 40 0 GIABRN Cc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1C(C)(C)C ZINC000409388974 231199292 /nfs/dbraw/zinc/19/92/92/231199292.db2.gz ABGMKJHQKBEGPA-ODLFYWEKSA-N 0 0 379.529 4.247 40 0 GIABRN Cc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)cc1C ZINC000409409606 231202022 /nfs/dbraw/zinc/20/20/22/231202022.db2.gz ITBCABYANYGAGW-KRWDZBQOSA-N 0 0 388.533 4.220 40 0 GIABRN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1c(Cl)cccc1Cl ZINC000409411983 231202941 /nfs/dbraw/zinc/20/29/41/231202941.db2.gz OYOJQZRSABRXKL-UHFFFAOYSA-N 0 0 385.634 4.011 40 0 GIABRN CCc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@](O)(C(F)(F)F)C2)cc1 ZINC000409102104 529618783 /nfs/dbraw/zinc/61/87/83/529618783.db2.gz XXXFRUBZRISTPZ-GOSISDBHSA-N 0 0 396.796 4.404 40 0 GIABRN CNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C(C)(C)C)CC1 ZINC000257229386 222759231 /nfs/dbraw/zinc/75/92/31/222759231.db2.gz FXXCGZHWQVVCOZ-UHFFFAOYSA-N 0 0 398.572 4.359 40 0 GIABRN CCCC(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)CC1 ZINC000257238218 222762354 /nfs/dbraw/zinc/76/23/54/222762354.db2.gz HKAOCZSQDBIVDZ-UHFFFAOYSA-N 0 0 398.572 4.455 40 0 GIABRN Cc1nn(Cc2cccc(C(=O)N3CCC[C@H](C)C3)c2)c(C)c1Br ZINC000002755689 209116268 /nfs/dbraw/zinc/11/62/68/209116268.db2.gz UBOFMOYMENYEGL-ZDUSSCGKSA-N 0 0 390.325 4.183 40 0 GIABRN COc1cc(NC(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)cc(OC)c1 ZINC000002760888 209115407 /nfs/dbraw/zinc/11/54/07/209115407.db2.gz MEHYMCPVUAQLGM-ZHACJKMWSA-N 0 0 377.444 4.158 40 0 GIABRN Cc1cc(C)c(NC(=O)C(C)(C)Oc2ccc(Br)cc2)c(N)c1 ZINC000070462892 209111675 /nfs/dbraw/zinc/11/16/75/209111675.db2.gz KAIQZBLSTHOZOL-UHFFFAOYSA-N 0 0 377.282 4.444 40 0 GIABRN c1cc(CN2CCO[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cs1 ZINC000306144425 209109079 /nfs/dbraw/zinc/10/90/79/209109079.db2.gz ZERZCBNKNLUPLN-HXUWFJFHSA-N 0 0 376.485 4.031 40 0 GIABRN CCNc1nc(Nc2ccc(C)cc2Br)cc(-c2ccccc2)n1 ZINC000329066867 206244007 /nfs/dbraw/zinc/24/40/07/206244007.db2.gz YDPWRMCIABWMAZ-UHFFFAOYSA-N 0 0 383.293 4.234 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2ccc3sc(C)nc3c2)cc(-c2cccnc2)n1 ZINC000329071905 206244485 /nfs/dbraw/zinc/24/44/85/206244485.db2.gz ZTNJAMWDQIDACJ-CYBMUJFWSA-N 0 0 390.516 4.255 40 0 GIABRN CCNc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCCC2)n1 ZINC000329069434 206244780 /nfs/dbraw/zinc/24/47/80/206244780.db2.gz YXXQJLAYSIYWQO-UHFFFAOYSA-N 0 0 380.414 4.062 40 0 GIABRN FC(F)(F)c1cccc(Nc2cc(-c3ccccn3)nc(NC3CCCC3)n2)c1 ZINC000328993042 206239321 /nfs/dbraw/zinc/23/93/21/206239321.db2.gz IYCBFSWDUQFEGU-UHFFFAOYSA-N 0 0 399.420 4.499 40 0 GIABRN Cc1cc(F)ccc1Nc1cc(-c2ccccn2)nc(N[C@H](CO)C(C)C)n1 ZINC000329023397 206240414 /nfs/dbraw/zinc/24/04/14/206240414.db2.gz OSNIZNUVTLUQAJ-LJQANCHMSA-N 0 0 381.455 4.159 40 0 GIABRN Cc1c(F)cccc1Nc1cc(-c2ccncc2)nc(NC2CCCCC2)n1 ZINC000329016826 206241452 /nfs/dbraw/zinc/24/14/52/206241452.db2.gz NICVJKYJZNAJQR-UHFFFAOYSA-N 0 0 377.467 4.318 40 0 GIABRN Fc1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)c(F)c1 ZINC000329040761 206242413 /nfs/dbraw/zinc/24/24/13/206242413.db2.gz SEXMOJWOQBARCH-UHFFFAOYSA-N 0 0 381.430 4.149 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2ccc3sc(C)nc3c2)cc(C(F)(F)F)n1 ZINC000329037956 206242532 /nfs/dbraw/zinc/24/25/32/206242532.db2.gz RQAVMDZPYOFIPH-SECBINFHSA-N 0 0 381.427 4.211 40 0 GIABRN O=C(Cc1coc2ccc3ccccc3c12)N1CCN(Cc2ccccc2)CC1 ZINC000024102766 206254088 /nfs/dbraw/zinc/25/40/88/206254088.db2.gz SURGMEITZDUEKQ-UHFFFAOYSA-N 0 0 384.479 4.473 40 0 GIABRN O=C1NC(=O)[C@@H](Cc2ccc3cc(OCc4ccccc4F)ccc3c2)S1 ZINC000001481955 206257328 /nfs/dbraw/zinc/25/73/28/206257328.db2.gz PKWDZWYVIHVNKS-LJQANCHMSA-N 0 0 381.428 4.452 40 0 investigational GIABRN CCOC(=O)c1ccc2oc(-c3cccc(I)c3)nc2c1 ZINC000216791968 206251482 /nfs/dbraw/zinc/25/14/82/206251482.db2.gz LZRIYASPSXMMJY-UHFFFAOYSA-N 0 0 393.180 4.276 40 0 GIABRN CN(CCCNC(=O)c1cc(Br)ccc1Cl)c1ccccc1 ZINC000017826833 206251709 /nfs/dbraw/zinc/25/17/09/206251709.db2.gz VMCVFMRDCLSFEE-UHFFFAOYSA-N 0 0 381.701 4.359 40 0 GIABRN O=C(Nc1cnn(Cc2cccc(F)c2)c1)[C@H](c1ccccc1)N1CCCCC1 ZINC000035322713 206264049 /nfs/dbraw/zinc/26/40/49/206264049.db2.gz GOUUADSCJYVZOV-QFIPXVFZSA-N 0 0 392.478 4.236 40 0 GIABRN COc1ccc(C)cc1NC(=O)C1CCN(c2nc3ccccc3s2)CC1 ZINC000035314150 206264584 /nfs/dbraw/zinc/26/45/84/206264584.db2.gz QNVPFYCTCJLFNJ-UHFFFAOYSA-N 0 0 381.501 4.468 40 0 GIABRN Fc1cc(F)c([C@@H]2SCCN2C(=S)NCCc2ccccc2)c(F)c1 ZINC000000716949 206318873 /nfs/dbraw/zinc/31/88/73/206318873.db2.gz DUMIKGQXEOKGCD-KRWDZBQOSA-N 0 0 382.476 4.269 40 0 GIABRN COc1cccc(-c2nc(CC(=O)Nc3cc(Cl)cc(Cl)c3)no2)c1 ZINC000034791748 206306135 /nfs/dbraw/zinc/30/61/35/206306135.db2.gz YVIYZRRTXQYQMQ-UHFFFAOYSA-N 0 0 378.215 4.233 40 0 GIABRN CC1(C)C[C@]2(C[C@H](c3ccc(Cl)cc3)c3ccc(O)cc3O2)NC(=S)N1 ZINC000000908127 206332752 /nfs/dbraw/zinc/33/27/52/206332752.db2.gz RLMGQYYFQOXBIS-OXQOHEQNSA-N 0 0 388.920 4.303 40 0 GIABRN O=C(COc1cccc2ccccc21)OCC(=O)c1ccc(Br)cc1 ZINC000001021499 206341762 /nfs/dbraw/zinc/34/17/62/206341762.db2.gz HJSMIAHWEDBWPV-UHFFFAOYSA-N 0 0 399.240 4.407 40 0 GIABRN O=C(Cc1cccs1)N([C@H](C(=O)NC1CCCC1)c1ccccc1)C1CC1 ZINC000001333820 206373564 /nfs/dbraw/zinc/37/35/64/206373564.db2.gz KTZNWEXPSJGZBC-NRFANRHFSA-N 0 0 382.529 4.082 40 0 GIABRN Cc1c2c(ccc1Cl)[C@@](O)([C@@H](C(=O)c1ccccc1)c1ccccc1)C(=O)N2 ZINC000001624388 206386547 /nfs/dbraw/zinc/38/65/47/206386547.db2.gz WTTVOLUUKVXFHM-AUSIDOKSSA-N 0 0 391.854 4.455 40 0 GIABRN O=C(NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O)Oc1ccccc1 ZINC000001614352 206387365 /nfs/dbraw/zinc/38/73/65/206387365.db2.gz AIHNXGXBDHIWGM-UHFFFAOYSA-N 0 0 378.167 4.029 40 0 GIABRN O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1cc(Br)ccc1O ZINC000001735684 206390449 /nfs/dbraw/zinc/39/04/49/206390449.db2.gz OZDGXHQKHCQNRU-MDWZMJQESA-N 0 0 378.609 4.153 40 0 GIABRN CCOC(=O)c1cnc(SCc2ccc(Cl)c(Cl)c2)nc1N1CC1 ZINC000001689519 206390461 /nfs/dbraw/zinc/39/04/61/206390461.db2.gz ROHYAWFAFFDKEH-UHFFFAOYSA-N 0 0 384.288 4.072 40 0 GIABRN Cc1c(C(=O)Nc2ccccc2)nnn1-c1ccnc2cc(C(F)(F)F)ccc21 ZINC000001857903 206393286 /nfs/dbraw/zinc/39/32/86/206393286.db2.gz LNGAXPDIBURMAO-UHFFFAOYSA-N 0 0 397.360 4.395 40 0 GIABRN Cc1csc(NC(=O)CSc2nnc3c(C)cc4c(C)cc(C)cc4n23)n1 ZINC000004215554 206508917 /nfs/dbraw/zinc/50/89/17/206508917.db2.gz OEFMBMXVURZJMU-UHFFFAOYSA-N 0 0 397.529 4.303 40 0 GIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccc(F)cc2)cc1 ZINC000005215412 206600153 /nfs/dbraw/zinc/60/01/53/206600153.db2.gz BQFDYFYCLFRASN-FUDKSRODSA-N 0 0 383.463 4.343 40 0 GIABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000006517929 206652847 /nfs/dbraw/zinc/65/28/47/206652847.db2.gz UYHHAINAPAPQMG-UHFFFAOYSA-N 0 0 397.544 4.448 40 0 GIABRN CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000006238405 206644737 /nfs/dbraw/zinc/64/47/37/206644737.db2.gz JMSYDVOASKVSHL-UHFFFAOYSA-N 0 0 382.272 4.079 40 0 GIABRN CC(=O)NC(=S)Nc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000006238398 206645069 /nfs/dbraw/zinc/64/50/69/206645069.db2.gz CKYDYXOIXIBTGC-UHFFFAOYSA-N 0 0 382.272 4.079 40 0 GIABRN COC(=O)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3Cc4ccccc4[C@@H]32)cc1 ZINC000006606388 206657638 /nfs/dbraw/zinc/65/76/38/206657638.db2.gz DBNZSTWAWLVZQS-BBWFWOEESA-N 0 0 395.505 4.169 40 0 GIABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc2c(c1)OCCO2 ZINC000006627298 206659323 /nfs/dbraw/zinc/65/93/23/206659323.db2.gz XZLPQMXTBWZYLI-GORDUTHDSA-N 0 0 380.227 4.425 40 0 GIABRN CCc1cccc(C)c1NC(=O)CCc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000007071743 206701232 /nfs/dbraw/zinc/70/12/32/206701232.db2.gz CBGHWTFPLDJDJS-UHFFFAOYSA-N 0 0 395.459 4.196 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)COc3ccc(C(C)C)cc3)n2)cc1 ZINC000007759607 206723261 /nfs/dbraw/zinc/72/32/61/206723261.db2.gz XUHRWMLPKFZDFO-UHFFFAOYSA-N 0 0 379.460 4.206 40 0 GIABRN O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000306141341 209106345 /nfs/dbraw/zinc/10/63/45/209106345.db2.gz VSQWMVTZFPJMOA-IEBWSBKVSA-N 0 0 387.551 4.232 40 0 GIABRN Cc1cc2c(o1)CCc1sc(N(C)C(=O)CCn3ncc4ccccc43)nc1-2 ZINC000012145102 206861569 /nfs/dbraw/zinc/86/15/69/206861569.db2.gz MXTFUQMQOTXOIF-UHFFFAOYSA-N 0 0 392.484 4.213 40 0 GIABRN CC[C@H](Oc1ccccc1F)C(=O)N1CCC(C(C)=O)(c2ccccc2)CC1 ZINC000012205670 206870411 /nfs/dbraw/zinc/87/04/11/206870411.db2.gz PTFWKILRZJSNTB-FQEVSTJZSA-N 0 0 383.463 4.133 40 0 GIABRN CC(C)Oc1cccc(CNC(=O)c2ccccc2I)c1 ZINC000013670853 206987449 /nfs/dbraw/zinc/98/74/49/206987449.db2.gz XURWMHDCJVMIJB-UHFFFAOYSA-N 0 0 395.240 4.008 40 0 GIABRN CC[C@@H](C(=O)Nc1cc(C)ccc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716097 206993064 /nfs/dbraw/zinc/99/30/64/206993064.db2.gz ACZKHGGQPMOFHP-FQEVSTJZSA-N 0 0 388.533 4.104 40 0 GIABRN CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 ZINC000013685310 206991129 /nfs/dbraw/zinc/99/11/29/206991129.db2.gz SULQURRPLZKFCX-MRXNPFEDSA-N 0 0 376.456 4.386 40 0 GIABRN COc1ccc([C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC ZINC000014220388 207016458 /nfs/dbraw/zinc/01/64/58/207016458.db2.gz UGVCRYSIKVNQCC-JTQLQIEISA-N 0 0 390.288 4.050 40 0 GIABRN CC(C)Oc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000014664098 207026309 /nfs/dbraw/zinc/02/63/09/207026309.db2.gz LPSNLOURAGJQDH-UHFFFAOYSA-N 0 0 378.428 4.249 40 0 GIABRN Cc1noc2nc(C3CC3)cc(C(=O)Nc3cnn(Cc4ccc(C)cc4)c3)c12 ZINC000036613900 207048104 /nfs/dbraw/zinc/04/81/04/207048104.db2.gz ABDFOIJZQQBICC-UHFFFAOYSA-N 0 0 387.443 4.214 40 0 GIABRN Cc1cc(NC(=O)c2cc(C3CC3)nc3onc(C)c32)nn1Cc1ccccc1 ZINC000036614014 207048169 /nfs/dbraw/zinc/04/81/69/207048169.db2.gz AVCMCQMHGBCRDJ-UHFFFAOYSA-N 0 0 387.443 4.214 40 0 GIABRN Cc1noc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)N[C@@H]3CCCC[C@H]3C)c12 ZINC000036618350 207051077 /nfs/dbraw/zinc/05/10/77/207051077.db2.gz RSGJQYWYBOTDGA-MLGOLLRUSA-N 0 0 393.443 4.235 40 0 GIABRN CC[C@@H](C)n1c2nc(-c3cnn(C)c3C)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000036617095 207051141 /nfs/dbraw/zinc/05/11/41/207051141.db2.gz AZQJVMMMSSFTGC-MRVPVSSYSA-N 0 0 397.426 4.153 40 0 GIABRN Cc1cccc(Nn2c(N)nn(CC(=O)c3ccc(C)c(Cl)c3)c2=S)c1 ZINC000036625688 207053604 /nfs/dbraw/zinc/05/36/04/207053604.db2.gz QXDMFLFJPDYSMS-UHFFFAOYSA-N 0 0 387.896 4.025 40 0 GIABRN C[C@@H](CCc1ccccc1)NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000017156397 207086818 /nfs/dbraw/zinc/08/68/18/207086818.db2.gz SLPSHHGDZXVTHG-HNNXBMFYSA-N 0 0 383.879 4.460 40 0 GIABRN Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@H](C)C(=O)c2ccccc2)cc1 ZINC000017419610 207090320 /nfs/dbraw/zinc/09/03/20/207090320.db2.gz RPPKTYNSIJSGIM-GOSISDBHSA-N 0 0 379.481 4.462 40 0 GIABRN Cc1ccccc1[C@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000017964213 207091353 /nfs/dbraw/zinc/09/13/53/207091353.db2.gz PBUZOHCUKWXQIK-KRWDZBQOSA-N 0 0 394.496 4.287 40 0 GIABRN C[C@@H](Oc1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1)C(=O)c1ccccc1 ZINC000018241569 207096849 /nfs/dbraw/zinc/09/68/49/207096849.db2.gz RUSCUVQYCZBSJI-XPGWFJOJSA-N 0 0 377.440 4.016 40 0 GIABRN C[C@H](Oc1cccc(N2C(=O)[C@@H]3C[C@@H](C)CC[C@@H]3C2=O)c1)C(=O)c1ccccc1 ZINC000018241650 207097171 /nfs/dbraw/zinc/09/71/71/207097171.db2.gz VSUVSGHYAZPWNA-SNHGZMDHSA-N 0 0 391.467 4.262 40 0 GIABRN Cc1cccc(OCCNC(=O)c2cc(-c3cccnc3)c3cnccc3n2)c1C ZINC000019235735 207109889 /nfs/dbraw/zinc/10/98/89/207109889.db2.gz MFEIJDDJOJMNOF-UHFFFAOYSA-N 0 0 398.466 4.117 40 0 GIABRN CN(C)c1nc2c(c(Nc3ccccc3)n1)[C@H]1CC[C@@H](C2)N1C(=O)CC(C)(C)C ZINC000019082527 207102292 /nfs/dbraw/zinc/10/22/92/207102292.db2.gz DCWRLJCOLJUYTH-FUHWJXTLSA-N 0 0 393.535 4.311 40 0 GIABRN CC(C)C(=O)N1CC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 ZINC000019085159 207102484 /nfs/dbraw/zinc/10/24/84/207102484.db2.gz WQTWUASREKQTFJ-SFHVURJKSA-N 0 0 387.487 4.254 40 0 GIABRN COc1ccccc1C(=O)N1CCC[C@@H]1c1ccnc2cc(C(C)(C)C)nn21 ZINC000019084334 207102502 /nfs/dbraw/zinc/10/25/02/207102502.db2.gz XKHVVXZINSGYSD-MRXNPFEDSA-N 0 0 378.476 4.013 40 0 GIABRN CC(C)(C)OC(=O)N[C@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccccc1 ZINC000019083251 207102982 /nfs/dbraw/zinc/10/29/82/207102982.db2.gz YOJSXNULBPOJQM-GOSISDBHSA-N 0 0 392.459 4.053 40 0 GIABRN Cc1cc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)c2cccc(F)c2F)on1 ZINC000019121404 207104178 /nfs/dbraw/zinc/10/41/78/207104178.db2.gz QDWJOEAHPDVJDB-MRXNPFEDSA-N 0 0 386.402 4.029 40 0 GIABRN Cc1cc2nccc([C@H]3CCCCN3C(=O)CCCOc3ccccc3F)n2n1 ZINC000019130531 207104317 /nfs/dbraw/zinc/10/43/17/207104317.db2.gz NSTKWFBWSJTJOO-GOSISDBHSA-N 0 0 396.466 4.090 40 0 GIABRN Cc1cc2nccc([C@@H]3CCCN3C(=O)COc3ccc(C(C)(C)C)cc3)n2n1 ZINC000019130715 207105237 /nfs/dbraw/zinc/10/52/37/207105237.db2.gz VMFBPEWLSXMCRL-IBGZPJMESA-N 0 0 392.503 4.078 40 0 GIABRN Cc1ccc([C@@H](NC(=O)Cc2ccc3c(c2)C[C@H](C)O3)c2ccncc2)cc1C ZINC000019213558 207108297 /nfs/dbraw/zinc/10/82/97/207108297.db2.gz CQXPBJNPMFMKOY-BVZFJXPGSA-N 0 0 386.495 4.470 40 0 GIABRN COC[C@@H](C)N(Cc1cccc(C)c1)C(=O)c1sc(-c2ccccn2)nc1C ZINC000019234898 207108712 /nfs/dbraw/zinc/10/87/12/207108712.db2.gz SUHIZJCDGBIUGN-MRXNPFEDSA-N 0 0 395.528 4.499 40 0 GIABRN Cc1noc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)Cc2cccc(C)c2)c1C ZINC000019234734 207109228 /nfs/dbraw/zinc/10/92/28/207109228.db2.gz FVQZFWFNULDWJB-HXUWFJFHSA-N 0 0 392.503 4.297 40 0 GIABRN Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)CC(C)(C)C)cc(N(C)C)n1 ZINC000019240843 207111831 /nfs/dbraw/zinc/11/18/31/207111831.db2.gz MYBFEQSCHCBPQB-IBGZPJMESA-N 0 0 393.535 4.169 40 0 GIABRN Cc1ccccc1OCCC(=O)N1CCC[C@@H]1c1nnc(-c2ccsc2)o1 ZINC000019237382 207111999 /nfs/dbraw/zinc/11/19/99/207111999.db2.gz ZMBSKLVVNSQZDY-MRXNPFEDSA-N 0 0 383.473 4.239 40 0 GIABRN COc1cc2c(cc1OC)[C@H](c1ccccc1F)N(Cc1cnc(C)nc1)CC2 ZINC000019287254 207114011 /nfs/dbraw/zinc/11/40/11/207114011.db2.gz VMWSNAHCZIOXOE-QHCPKHFHSA-N 0 0 393.462 4.089 40 0 GIABRN COc1cccc(CNc2ncc(-c3nccn3C)c(-c3cccs3)n2)c1 ZINC000019291802 207114492 /nfs/dbraw/zinc/11/44/92/207114492.db2.gz VDAJUKPWYGFCFF-UHFFFAOYSA-N 0 0 377.473 4.226 40 0 GIABRN COc1cccc(CNc2ncc(-c3cccc(F)c3)c(-c3nccn3C)n2)c1 ZINC000019291711 207115063 /nfs/dbraw/zinc/11/50/63/207115063.db2.gz WDHMELHYSGFGPD-UHFFFAOYSA-N 0 0 389.434 4.304 40 0 GIABRN O=C(Cc1cccc(Cl)c1)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1 ZINC000019293358 207115574 /nfs/dbraw/zinc/11/55/74/207115574.db2.gz KQPYHLHOZMFWND-IBGZPJMESA-N 0 0 380.879 4.421 40 0 GIABRN O=C(CC1CCCC1)N[C@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccc(F)cc1 ZINC000019332453 207115981 /nfs/dbraw/zinc/11/59/81/207115981.db2.gz PLKURMKMDQLRIW-HXUWFJFHSA-N 0 0 397.494 4.157 40 0 GIABRN O=C(C1CCC1)N(Cc1cc(-c2ccccc2)cn2nnnc12)C1CCCCC1 ZINC000019374009 207119750 /nfs/dbraw/zinc/11/97/50/207119750.db2.gz DYPCFMAGYGPSCM-UHFFFAOYSA-N 0 0 389.503 4.253 40 0 GIABRN O=C(C1CC1)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 ZINC000019373063 207120005 /nfs/dbraw/zinc/12/00/05/207120005.db2.gz YPMSYNHLOVHUGY-IBGZPJMESA-N 0 0 399.498 4.398 40 0 GIABRN Cc1cnccc1-c1c[nH]nc1[C@@H]1CCCCN1C(=O)Cc1ccc(F)cc1 ZINC000019239578 207110867 /nfs/dbraw/zinc/11/08/67/207110867.db2.gz YYBQCGHNTJLADM-FQEVSTJZSA-N 0 0 378.451 4.216 40 0 GIABRN C[C@H](NC(=O)c1ccc(CN2CCOCC2)o1)c1cc2cc(Cl)ccc2o1 ZINC000019458595 207123509 /nfs/dbraw/zinc/12/35/09/207123509.db2.gz GXYXBNMMCBPFFF-ZDUSSCGKSA-N 0 0 388.851 4.002 40 0 GIABRN CCC(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(=O)NC(C)C)C1 ZINC000019498429 207125031 /nfs/dbraw/zinc/12/50/31/207125031.db2.gz IFANFRQAMVOFRT-JOCHJYFZSA-N 0 0 384.545 4.111 40 0 GIABRN CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)CC)C1 ZINC000019498593 207125057 /nfs/dbraw/zinc/12/50/57/207125057.db2.gz XCHRWVNHZBARQW-XMMPIXPASA-N 0 0 378.516 4.051 40 0 GIABRN CC[C@@H](C(=O)N[C@H](c1ccccc1)c1ccccc1OC)n1nc(C)cc1C ZINC000019499474 207125202 /nfs/dbraw/zinc/12/52/02/207125202.db2.gz JBQIXLKOOSDESP-RBBKRZOGSA-N 0 0 377.488 4.365 40 0 GIABRN C[C@@H]1Cc2cc(CC(=O)N3CCC[C@H](COc4ccc(F)cc4)C3)ccc2O1 ZINC000019498075 207125631 /nfs/dbraw/zinc/12/56/31/207125631.db2.gz LGXCMEYFMBHVIO-AEFFLSMTSA-N 0 0 383.463 4.009 40 0 GIABRN CCC(=O)N1CC[C@@](Cc2ccccc2-c2cccs2)(C(=O)NC(C)C)C1 ZINC000019498480 207125691 /nfs/dbraw/zinc/12/56/91/207125691.db2.gz PTHIFJFAHVNLIC-QFIPXVFZSA-N 0 0 384.545 4.111 40 0 GIABRN CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@H](c2cc3ncccc3cn2)C1 ZINC000019499385 207125822 /nfs/dbraw/zinc/12/58/22/207125822.db2.gz PHMACDUSMQPJLY-UWJYYQICSA-N 0 0 393.462 4.333 40 0 GIABRN CCCC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2)(C(=O)NC(C)C)C1 ZINC000019501059 207126539 /nfs/dbraw/zinc/12/65/39/207126539.db2.gz HTSIBRRKAUVJFZ-RUZDIDTESA-N 0 0 392.543 4.440 40 0 GIABRN CCCC(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(=O)N(C)C)C1 ZINC000019501035 207126632 /nfs/dbraw/zinc/12/66/32/207126632.db2.gz XKMMIWXOJXEHON-JOCHJYFZSA-N 0 0 384.545 4.065 40 0 GIABRN CCc1noc(CC)c1C(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 ZINC000019521342 207126952 /nfs/dbraw/zinc/12/69/52/207126952.db2.gz LWPFRVBOUMROSI-UHFFFAOYSA-N 0 0 387.461 4.192 40 0 GIABRN CCc1noc(C)c1C(=O)N1CCCC[C@@H]1c1nc(C)ncc1-c1ccncc1 ZINC000019521234 207127478 /nfs/dbraw/zinc/12/74/78/207127478.db2.gz ZXYHTQLBBOTKAK-LJQANCHMSA-N 0 0 391.475 4.073 40 0 GIABRN CCn1cc(CC(=O)Nc2ccc3c(c2)C[C@@H](C)N3C(C)=O)c2ccccc21 ZINC000019524795 207129205 /nfs/dbraw/zinc/12/92/05/207129205.db2.gz AGJMNLUSOZIZOC-OAHLLOKOSA-N 0 0 375.472 4.140 40 0 GIABRN CCOc1ccc(CCC(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccncc2)cc1 ZINC000019533110 207129697 /nfs/dbraw/zinc/12/96/97/207129697.db2.gz ZHOASEZILKBJDT-OAQYLSRUSA-N 0 0 390.487 4.167 40 0 GIABRN CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)CC(C)C)C1 ZINC000019528878 207130640 /nfs/dbraw/zinc/13/06/40/207130640.db2.gz MCYIVCASJVOBFJ-HSZRJFAPSA-N 0 0 398.572 4.359 40 0 GIABRN COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Cn2cnc3ccccc32)c(OC)c1 ZINC000019457719 207122959 /nfs/dbraw/zinc/12/29/59/207122959.db2.gz XEQFWPBBDUAFEL-UZLBHIALSA-N 0 0 393.487 4.053 40 0 GIABRN Cc1noc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)c1C ZINC000019558160 207134066 /nfs/dbraw/zinc/13/40/66/207134066.db2.gz NJZDACXMGXOPCU-IBGZPJMESA-N 0 0 396.466 4.127 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)o1 ZINC000019564825 207134653 /nfs/dbraw/zinc/13/46/53/207134653.db2.gz BLGGQZOABRPLNT-UHFFFAOYSA-N 0 0 390.390 4.093 40 0 GIABRN Cc1noc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)CCc2ccccc2)c1C ZINC000019558130 207134857 /nfs/dbraw/zinc/13/48/57/207134857.db2.gz SJHXKOFMIKUIBN-FQEVSTJZSA-N 0 0 392.503 4.378 40 0 GIABRN Cc1noc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)c1C ZINC000019558163 207134863 /nfs/dbraw/zinc/13/48/63/207134863.db2.gz NJZDACXMGXOPCU-LJQANCHMSA-N 0 0 396.466 4.127 40 0 GIABRN Cc1noc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)Cc2ccccc2F)c1C ZINC000019558180 207134868 /nfs/dbraw/zinc/13/48/68/207134868.db2.gz WRRNBESFUXQTFG-LJQANCHMSA-N 0 0 396.466 4.127 40 0 GIABRN Cc1sc2nc(C(C)C)n([C@H]3CCCN(Cc4ccccn4)C3)c(=O)c2c1C ZINC000019561163 207134972 /nfs/dbraw/zinc/13/49/72/207134972.db2.gz DWVUJEFPGJTZQF-SFHVURJKSA-N 0 0 396.560 4.430 40 0 GIABRN COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)CC1CCCCC1 ZINC000019570921 207135699 /nfs/dbraw/zinc/13/56/99/207135699.db2.gz ULIPGGVCPOKGDS-FQEVSTJZSA-N 0 0 381.520 4.404 40 0 GIABRN COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc(Cl)cc1 ZINC000019570951 207137023 /nfs/dbraw/zinc/13/70/23/207137023.db2.gz MAFFYYHJBYRVSF-IBGZPJMESA-N 0 0 395.890 4.401 40 0 GIABRN C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)C[C@@H]3C=CCC3)cc2N1 ZINC000019574691 207138137 /nfs/dbraw/zinc/13/81/37/207138137.db2.gz AUDNGWRQGZVVMW-LUYZLQTOSA-N 0 0 382.430 4.210 40 0 GIABRN C[C@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)c1ccc(F)c(F)c1 ZINC000019575469 207138746 /nfs/dbraw/zinc/13/87/46/207138746.db2.gz CTBLVADERMBVDW-SNVBAGLBSA-N 0 0 383.320 4.152 40 0 GIABRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCCc1nc2ccccc2n1C ZINC000019560988 207133638 /nfs/dbraw/zinc/13/36/38/207133638.db2.gz HWXALDJLESSEAG-UHFFFAOYSA-N 0 0 394.475 4.117 40 0 GIABRN CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 ZINC000019694039 207148780 /nfs/dbraw/zinc/14/87/80/207148780.db2.gz WJKQDCHDGGSWEA-GOSISDBHSA-N 0 0 396.510 4.245 40 0 GIABRN COC(C)(C)C(=O)N1CCC[C@H](c2ccc(Cc3ccc(Cl)cc3)cn2)C1 ZINC000019690195 207148971 /nfs/dbraw/zinc/14/89/71/207148971.db2.gz DQNBEWQUSZPIKY-SFHVURJKSA-N 0 0 386.923 4.457 40 0 GIABRN Fc1ccc(OCCc2cc([C@@H]3CCCN3Cc3cccnc3)[nH]n2)cc1F ZINC000019703651 207149838 /nfs/dbraw/zinc/14/98/38/207149838.db2.gz UZUXRUQHLLJDQR-NRFANRHFSA-N 0 0 384.430 4.042 40 0 GIABRN CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCC2)nc(C2CC2)n1 ZINC000019592087 207142039 /nfs/dbraw/zinc/14/20/39/207142039.db2.gz CEUUZPBIEXOUBD-LJQANCHMSA-N 0 0 389.503 4.077 40 0 GIABRN Cc1[nH]c2c(c1CC(=O)N[C@H](C)c1ccc3c(c1)OCCO3)c(C)ccc2C ZINC000019660486 207145767 /nfs/dbraw/zinc/14/57/67/207145767.db2.gz DGMTUMKORQFCCQ-OAHLLOKOSA-N 0 0 378.472 4.284 40 0 GIABRN COc1ccc(C2(C(=O)NCC3(c4ccccc4Cl)CC3)CCOCC2)cc1 ZINC000019661463 207146607 /nfs/dbraw/zinc/14/66/07/207146607.db2.gz CKEQGZHJMABMGC-UHFFFAOYSA-N 0 0 399.918 4.245 40 0 GIABRN CC[C@@H](NC(=O)c1cc2cccc(OC)c2nc1C)c1c(C)nn(CC)c1C ZINC000019664863 207146726 /nfs/dbraw/zinc/14/67/26/207146726.db2.gz HRHVZYBOYFLUCH-GOSISDBHSA-N 0 0 380.492 4.266 40 0 GIABRN O=C(c1c[nH]nc1-c1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000019714646 207152122 /nfs/dbraw/zinc/15/21/22/207152122.db2.gz CXIJQXCHKPVJKP-IBGZPJMESA-N 0 0 389.455 4.215 40 0 GIABRN Cc1ccc(C(=O)NCCc2nc3cc(C)c(C)cc3[nH]2)cc1N1CCCC1 ZINC000019716193 207153865 /nfs/dbraw/zinc/15/38/65/207153865.db2.gz OKKJNKXYKHYYIN-UHFFFAOYSA-N 0 0 376.504 4.061 40 0 GIABRN C[C@H](Oc1ccccc1)c1nnc(NC(=O)c2cn3cc(Cl)ccc3n2)s1 ZINC000019716763 207154130 /nfs/dbraw/zinc/15/41/30/207154130.db2.gz WWYINEJYHQCUEZ-NSHDSACASA-N 0 0 399.863 4.232 40 0 GIABRN O=C(CN1CCc2nc(-c3cccc(F)c3)sc2C1)Nc1ccc(F)cc1 ZINC000019719747 207155022 /nfs/dbraw/zinc/15/50/22/207155022.db2.gz JPINELLUYMUCAC-UHFFFAOYSA-N 0 0 385.439 4.085 40 0 GIABRN COc1ccc(-c2cc(C(=O)Nc3cc(C)nn3-c3ccc(F)cc3)on2)cc1 ZINC000019718931 207156203 /nfs/dbraw/zinc/15/62/03/207156203.db2.gz QUZYZTADYLCYQJ-UHFFFAOYSA-N 0 0 392.390 4.236 40 0 GIABRN COc1cccc2cc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)oc21 ZINC000019887896 207167705 /nfs/dbraw/zinc/16/77/05/207167705.db2.gz WUDCOAHOJJRZKW-UHFFFAOYSA-N 0 0 378.428 4.320 40 0 GIABRN CC(C)C[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccccc1 ZINC000020050094 207175850 /nfs/dbraw/zinc/17/58/50/207175850.db2.gz LQLFGYZVCWQBGB-SFHVURJKSA-N 0 0 394.924 4.229 40 0 GIABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1-n1ccnc1C ZINC000020051003 207176168 /nfs/dbraw/zinc/17/61/68/207176168.db2.gz VXDSWPBMYOSSBZ-FQEVSTJZSA-N 0 0 383.879 4.308 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)c1 ZINC000020044598 207176543 /nfs/dbraw/zinc/17/65/43/207176543.db2.gz GNMHSTYFFOAHGP-LLVKDONJSA-N 0 0 379.865 4.255 40 0 GIABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1-n1ccnc1 ZINC000020108282 207178269 /nfs/dbraw/zinc/17/82/69/207178269.db2.gz AWKCPVAIEICVQL-QGZVFWFLSA-N 0 0 377.488 4.254 40 0 GIABRN COc1cccc(-c2nnc(CSc3nnc(-c4cccc(C)c4)o3)o2)c1 ZINC000019927464 207170279 /nfs/dbraw/zinc/17/02/79/207170279.db2.gz XPYGWVPHUOAJBN-UHFFFAOYSA-N 0 0 380.429 4.396 40 0 GIABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000020141860 207179894 /nfs/dbraw/zinc/17/98/94/207179894.db2.gz SIQYJBCFXINIIT-UHFFFAOYSA-N 0 0 381.428 4.487 40 0 GIABRN Cc1cc(NC(=O)c2cncc(Br)c2)ccc1-c1ccc(CO)o1 ZINC000020143533 207180471 /nfs/dbraw/zinc/18/04/71/207180471.db2.gz BVLVLRSZYAPISY-UHFFFAOYSA-N 0 0 387.233 4.157 40 0 GIABRN CCOc1cc(OCC)cc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)c1 ZINC000020143371 207180827 /nfs/dbraw/zinc/18/08/27/207180827.db2.gz JYUJIERXZWWIAQ-UHFFFAOYSA-N 0 0 381.428 4.489 40 0 GIABRN CCOc1ccc(NC(=O)CSc2nnc(Cc3ccc(C)c(C)c3)o2)cc1 ZINC000020196926 207182492 /nfs/dbraw/zinc/18/24/92/207182492.db2.gz BEELHOHKRZKTGA-UHFFFAOYSA-N 0 0 397.500 4.407 40 0 GIABRN COc1ccc(CNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC ZINC000020489685 207197343 /nfs/dbraw/zinc/19/73/43/207197343.db2.gz VPPPQXODWKGUPE-CQSZACIVSA-N 0 0 377.868 4.058 40 0 GIABRN Clc1ccc(CNC2(Cc3cc(COc4ccccc4)on3)COC2)cc1 ZINC000067898147 207190614 /nfs/dbraw/zinc/19/06/14/207190614.db2.gz SUCQWQWFRSPYMJ-UHFFFAOYSA-N 0 0 384.863 4.008 40 0 biogenic,in-vitro GIABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(OC)c1 ZINC000020456509 207194288 /nfs/dbraw/zinc/19/42/88/207194288.db2.gz GYTNGTRHARALNX-YWZLYKJASA-N 0 0 384.476 4.020 40 0 GIABRN COc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 ZINC000020459079 207194910 /nfs/dbraw/zinc/19/49/10/207194910.db2.gz YURYRBPOAWEKGR-MRXNPFEDSA-N 0 0 396.487 4.164 40 0 GIABRN COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000020453783 207195465 /nfs/dbraw/zinc/19/54/65/207195465.db2.gz UXHNTZMRVVCYIM-IBGZPJMESA-N 0 0 379.547 4.483 40 0 GIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000020462132 207196163 /nfs/dbraw/zinc/19/61/63/207196163.db2.gz HGDKSQSPRWHPMX-HXUWFJFHSA-N 0 0 386.923 4.463 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1 ZINC000020484594 207197211 /nfs/dbraw/zinc/19/72/11/207197211.db2.gz OQNCRIYUCXWGDJ-CQSZACIVSA-N 0 0 375.852 4.458 40 0 GIABRN O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1cccc(Cl)c1 ZINC000020611484 207207512 /nfs/dbraw/zinc/20/75/12/207207512.db2.gz ZUGAJYKXJVNNAW-UHFFFAOYSA-N 0 0 395.684 4.191 40 0 GIABRN COc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@H](c2cccc(C)c2)C4)cc1 ZINC000020796006 207214562 /nfs/dbraw/zinc/21/45/62/207214562.db2.gz ZRGRSKCILJPQDY-QGZVFWFLSA-N 0 0 384.439 4.021 40 0 GIABRN CCc1c(C)n(CC(=O)c2c(C)[nH]c3ccccc32)c2nc3ccccc3n2c1=O ZINC000020798381 207215448 /nfs/dbraw/zinc/21/54/48/207215448.db2.gz IXONVLNOROKWKB-UHFFFAOYSA-N 0 0 398.466 4.193 40 0 GIABRN O=C1C[C@H](c2ccc(F)cc2)Cc2nc3nc(-c4ccc(Cl)cc4)nn3cc21 ZINC000020671441 207209248 /nfs/dbraw/zinc/20/92/48/207209248.db2.gz ZKRFGEXFYBGUOD-CQSZACIVSA-N 0 0 392.821 4.497 40 0 GIABRN COc1cc(C=O)ccc1OCc1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000022120953 207248921 /nfs/dbraw/zinc/24/89/21/207248921.db2.gz SKVFTNFEOZGXAJ-UHFFFAOYSA-N 0 0 379.199 4.444 40 0 GIABRN Cn1cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(=O)c2cc(F)ccc21 ZINC000022236606 207250117 /nfs/dbraw/zinc/25/01/17/207250117.db2.gz TUWHVISLJPIIAH-UHFFFAOYSA-N 0 0 382.288 4.088 40 0 GIABRN CC(=O)Nc1cccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)c1 ZINC000022245505 207250428 /nfs/dbraw/zinc/25/04/28/207250428.db2.gz QVDJTHVBYHKMNQ-UHFFFAOYSA-N 0 0 380.473 4.430 40 0 GIABRN CCOc1ccc(S(=O)(=O)Nc2ccc3nc(CC)sc3c2)cc1C ZINC000022255153 207251391 /nfs/dbraw/zinc/25/13/91/207251391.db2.gz CEDJYWCSKVQGOW-UHFFFAOYSA-N 0 0 376.503 4.367 40 0 GIABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(Cl)c1 ZINC000022514998 207255428 /nfs/dbraw/zinc/25/54/28/207255428.db2.gz WKMAQMDDDAMDHE-UHFFFAOYSA-N 0 0 393.679 4.271 40 0 GIABRN CC1CCN(C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)CC1 ZINC000022532384 207256687 /nfs/dbraw/zinc/25/66/87/207256687.db2.gz AHQNBYVWRXNQAH-UHFFFAOYSA-N 0 0 392.908 4.013 40 0 GIABRN C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000022540775 207257065 /nfs/dbraw/zinc/25/70/65/207257065.db2.gz XUBNQMCALNJUFY-MRXNPFEDSA-N 0 0 392.430 4.221 40 0 GIABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2cccs2)no1 ZINC000024577272 207291753 /nfs/dbraw/zinc/29/17/53/207291753.db2.gz SUTOZYNBSOXJTI-CYBMUJFWSA-N 0 0 385.489 4.179 40 0 GIABRN Cc1cccc(NC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1 ZINC000026780054 207320271 /nfs/dbraw/zinc/32/02/71/207320271.db2.gz GLUFZFHZAAAGCN-UHFFFAOYSA-N 0 0 393.896 4.077 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(Br)cc1 ZINC000028189129 207334732 /nfs/dbraw/zinc/33/47/32/207334732.db2.gz KGLGHKWUMUAEKI-UHFFFAOYSA-N 0 0 392.278 4.223 40 0 GIABRN CCCCC[C@@H]1O[C@@H]1C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO ZINC000027646621 207328061 /nfs/dbraw/zinc/32/80/61/207328061.db2.gz LPMVKZXODWQHGJ-HDHKJMLYSA-N 0 0 394.552 4.240 40 0 endogenous,in-man GIABRN O=C(CCCSc1ccc(Cl)cc1)NC[C@H]1COc2ccccc2O1 ZINC000028910223 207350847 /nfs/dbraw/zinc/35/08/47/207350847.db2.gz ANKMVZBYHYBKHZ-HNNXBMFYSA-N 0 0 377.893 4.169 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1Cl ZINC000030753665 207373390 /nfs/dbraw/zinc/37/33/90/207373390.db2.gz BRAPQQOHZNJLEX-UXBLZVDNSA-N 0 0 389.835 4.186 40 0 GIABRN Cc1cccc(C(C)C)c1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl ZINC000030755557 207374349 /nfs/dbraw/zinc/37/43/49/207374349.db2.gz GJSDGNAEESRLGX-UHFFFAOYSA-N 0 0 380.897 4.396 40 0 GIABRN COc1ccc(S[C@H](C)C(=O)NCc2cccc(OC(C)C)c2)cc1OC ZINC000030849259 207374771 /nfs/dbraw/zinc/37/47/71/207374771.db2.gz PWSNOXZSOWQJGW-OAHLLOKOSA-N 0 0 389.517 4.288 40 0 GIABRN COc1ccc(CN(C)C(=O)CSCc2ccccc2Cl)cc1OC ZINC000030851530 207374963 /nfs/dbraw/zinc/37/49/63/207374963.db2.gz LZKWIAKJHHCRJO-UHFFFAOYSA-N 0 0 379.909 4.249 40 0 GIABRN CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2ccc(F)cc2)cc1OC ZINC000030851518 207375767 /nfs/dbraw/zinc/37/57/67/207375767.db2.gz QZISCHJQDOUGSF-IBGZPJMESA-N 0 0 389.467 4.139 40 0 GIABRN COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(C)c2)cc1 ZINC000030870899 207377633 /nfs/dbraw/zinc/37/76/33/207377633.db2.gz QVBMIUQXMHNWAM-IBGZPJMESA-N 0 0 377.506 4.078 40 0 GIABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000030869900 207378687 /nfs/dbraw/zinc/37/86/87/207378687.db2.gz RCJFIQPVYGHDKJ-HXUWFJFHSA-N 0 0 386.923 4.463 40 0 GIABRN COc1cc(OC(=O)c2ccccc2)cc(OC(=O)c2ccccc2)c1C(C)=O ZINC000035973657 207505433 /nfs/dbraw/zinc/50/54/33/207505433.db2.gz PXWWNDCAEQROPL-UHFFFAOYSA-N 0 0 390.391 4.336 40 0 GIABRN O=c1nc2n(c3c1cnn3-c1ccccc1)[C@H](CSc1ccccc1)CS2 ZINC000036636126 207536929 /nfs/dbraw/zinc/53/69/29/207536929.db2.gz APVIJRCVXOFMNY-OAHLLOKOSA-N 0 0 392.509 4.021 40 0 GIABRN COc1cc(NC(=O)C(Cl)(Cl)Cl)ccc1NC(=O)c1cccs1 ZINC000408621140 532973814 /nfs/dbraw/zinc/97/38/14/532973814.db2.gz JVUDZSHYBRJOBJ-UHFFFAOYSA-N 0 0 393.679 4.318 40 0 GIABRN COc1ccc2cc(S(=O)(=O)Oc3cc(C)nc4ccccc43)ccc2c1 ZINC000041097190 207619630 /nfs/dbraw/zinc/61/96/30/207619630.db2.gz MGSQVLRSUBRHTN-UHFFFAOYSA-N 0 0 379.437 4.473 40 0 GIABRN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000055648305 207742779 /nfs/dbraw/zinc/74/27/79/207742779.db2.gz SFOOFQSUOCOHON-UHFFFAOYSA-N 0 0 394.924 4.368 40 0 GIABRN COc1cccc(CNc2ncc(-c3cnccn3)c(-c3cccs3)n2)c1 ZINC000072338749 207998760 /nfs/dbraw/zinc/99/87/60/207998760.db2.gz LAZHJXATDAIETM-UHFFFAOYSA-N 0 0 375.457 4.283 40 0 GIABRN CC(=O)NCc1cnc([C@H]2CCCN2Cc2ccccc2)cc1C(F)(F)F ZINC000072355976 208000792 /nfs/dbraw/zinc/00/07/92/208000792.db2.gz GWYNSNJTGRNUNA-LJQANCHMSA-N 0 0 377.410 4.074 40 0 GIABRN Cc1cnc(C(=O)N2CCC[C@@H](c3cc(Cc4ccccc4)cc(C)n3)C2)cn1 ZINC000072353936 208001748 /nfs/dbraw/zinc/00/17/48/208001748.db2.gz YTKREEXKLINGKT-OAQYLSRUSA-N 0 0 386.499 4.099 40 0 GIABRN Cc1ncsc1C(=O)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072359028 208003306 /nfs/dbraw/zinc/00/33/06/208003306.db2.gz PAIJGSMSOOPVOD-OAHLLOKOSA-N 0 0 382.464 4.067 40 0 GIABRN O=C(Cc1ccccc1)N1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 ZINC000072358630 208003375 /nfs/dbraw/zinc/00/33/75/208003375.db2.gz UCSDBFXAIFHLEM-GOSISDBHSA-N 0 0 375.447 4.231 40 0 GIABRN O=C(C1CCCC1)N1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371377 208005359 /nfs/dbraw/zinc/00/53/59/208005359.db2.gz DBMMBXIYZMPOPL-MRXNPFEDSA-N 0 0 387.911 4.191 40 0 GIABRN O=c1cc([C@@H]2CCCCN2Cc2ccc(F)c(F)c2)nc(-c2ccccn2)[nH]1 ZINC000072390514 208010956 /nfs/dbraw/zinc/01/09/56/208010956.db2.gz IKDIFOHXZNCPES-IBGZPJMESA-N 0 0 382.414 4.250 40 0 GIABRN CC(C)c1nccn1-c1cccc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000072378919 208011800 /nfs/dbraw/zinc/01/18/00/208011800.db2.gz DHMVTMUGYAJJGK-HXUWFJFHSA-N 0 0 392.478 4.436 40 0 GIABRN Cc1cccc(Nc2cc(C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)ncn2)n1 ZINC000072383456 208012466 /nfs/dbraw/zinc/01/24/66/208012466.db2.gz ZLSZHONPFSJJDZ-MRXNPFEDSA-N 0 0 383.496 4.113 40 0 GIABRN Cc1nn(-c2ccccc2)c2nc3c(cc12)CN(Cc1ccc(F)cc1)C(=O)O3 ZINC000072396591 208014710 /nfs/dbraw/zinc/01/47/10/208014710.db2.gz PMYGNZLNRFQQFI-UHFFFAOYSA-N 0 0 388.402 4.383 40 0 GIABRN CCc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)cc1 ZINC000085409709 208100825 /nfs/dbraw/zinc/10/08/25/208100825.db2.gz SCAJUJUWMGJUDL-GOSISDBHSA-N 0 0 385.920 4.334 40 0 GIABRN COc1ccc(O[C@H](C)C(=O)NCCSCc2c(F)cccc2Cl)cc1 ZINC000408706040 533031186 /nfs/dbraw/zinc/03/11/86/533031186.db2.gz UBDAOPCUMLSWQE-CYBMUJFWSA-N 0 0 397.899 4.305 40 0 GIABRN C[C@@H](OC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1)c1ccccc1 ZINC000016576983 208148890 /nfs/dbraw/zinc/14/88/90/208148890.db2.gz SVVQWTYCSSDGFR-YSGRDPCXSA-N 0 0 377.440 4.284 40 0 GIABRN COc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000014006271 533032791 /nfs/dbraw/zinc/03/27/91/533032791.db2.gz HRDCCMANGUJSJZ-MRXNPFEDSA-N 0 0 396.487 4.164 40 0 GIABRN Cc1cc(CN2CCC(c3nc4ccc(-c5cccc(F)c5)cn4n3)CC2)no1 ZINC000096155762 208279387 /nfs/dbraw/zinc/27/93/87/208279387.db2.gz YRYWUYCQUXSLQH-UHFFFAOYSA-N 0 0 391.450 4.211 40 0 GIABRN COCCn1c(C(=O)NCc2ccc(Cl)cc2)cc2c1c1ccccc1n2C ZINC000096037234 208255779 /nfs/dbraw/zinc/25/57/79/208255779.db2.gz TZUQTWOKVNQCIQ-UHFFFAOYSA-N 0 0 395.890 4.363 40 0 GIABRN COCCCNC(=O)c1ccc2onc(-c3coc(-c4ccc(C)cc4)n3)c2c1 ZINC000096037812 208255940 /nfs/dbraw/zinc/25/59/40/208255940.db2.gz IWSKCPRNEAULQW-UHFFFAOYSA-N 0 0 391.427 4.225 40 0 GIABRN COCCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c1c1ccccc1n2C ZINC000096037235 208256799 /nfs/dbraw/zinc/25/67/99/208256799.db2.gz IOKIQANATYIOEN-UHFFFAOYSA-N 0 0 379.435 4.479 40 0 GIABRN O=C(c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn32)n1)N1CCCCO1 ZINC000096038157 208256948 /nfs/dbraw/zinc/25/69/48/208256948.db2.gz VPFZOSTXLMVGMJ-UHFFFAOYSA-N 0 0 390.418 4.099 40 0 GIABRN Cc1cccc(NC(=O)c2cc(-c3cnc(N(C)C)nc3)cn2CC2CC2)c1C ZINC000096037640 208256987 /nfs/dbraw/zinc/25/69/87/208256987.db2.gz VYGDLWYDZJUKTH-UHFFFAOYSA-N 0 0 389.503 4.290 40 0 GIABRN CCc1ccc(NC(=O)N2CC[C@@]3(C[C@H]3C(=O)Nc3cccc(F)c3)C2)cc1 ZINC000096227285 208289203 /nfs/dbraw/zinc/28/92/03/208289203.db2.gz PHKHEVZUJWLCIN-SIKLNZKXSA-N 0 0 381.451 4.271 40 0 GIABRN COc1ccc(C(=O)N2CCC3(CCn4c(-c5ccccc5)cnc43)CC2)cc1 ZINC000096243527 208293098 /nfs/dbraw/zinc/29/30/98/208293098.db2.gz UMAGPURPCVZWAR-UHFFFAOYSA-N 0 0 387.483 4.136 40 0 GIABRN Cc1ccc(NC(=O)c2cc3c(s2)CCN3C(=O)c2ccc(F)cc2)cn1 ZINC000096264558 208298981 /nfs/dbraw/zinc/29/89/81/208298981.db2.gz CONHWNCDMBHXEY-UHFFFAOYSA-N 0 0 381.432 4.046 40 0 GIABRN COc1cccc(-c2ccc3c([C@@H]4CCCN4Cc4nccs4)nnn3c2)c1 ZINC000096267924 208301185 /nfs/dbraw/zinc/30/11/85/208301185.db2.gz AWJHIEYMCCAAQR-SFHVURJKSA-N 0 0 391.500 4.199 40 0 GIABRN CCOC(=O)CCn1nc(-c2cccc(OC)c2)cc1-c1cccc(OC)c1 ZINC000017077752 208364048 /nfs/dbraw/zinc/36/40/48/208364048.db2.gz KEMQWUPEKXAEDT-UHFFFAOYSA-N 0 0 380.444 4.188 40 0 GIABRN Cc1c(-c2cccc(Cl)c2)nn2c1[nH]c([C@@H]1CC(=O)N(CC(C)C)C1)cc2=O ZINC000100732964 208379621 /nfs/dbraw/zinc/37/96/21/208379621.db2.gz WGYILYNLXAXCCJ-OAHLLOKOSA-N 0 0 398.894 4.036 40 0 GIABRN CO[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CC[N@@H+]3C)CC1 ZINC000100745870 208380981 /nfs/dbraw/zinc/38/09/81/208380981.db2.gz RAPDYNHTPZMWJN-PFDCGNQRSA-N 0 0 384.564 4.061 40 0 GIABRN Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](CC(C)C)[C@@H]2C1=O ZINC000101033540 208386094 /nfs/dbraw/zinc/38/60/94/208386094.db2.gz JUUJKPHJIMKYQY-AABGKKOBSA-N 0 0 398.890 4.373 40 0 GIABRN COC(=O)C=C(C)Nc1ccc(Cc2ccc(NC(C)=CC(=O)OC)cc2)cc1 ZINC000104085730 208429940 /nfs/dbraw/zinc/42/99/40/208429940.db2.gz UDAXHNNGKMYRBK-YKVSKMSXSA-N 0 0 394.471 4.255 40 0 GIABRN CC(C)c1ccc(CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000223725032 208447380 /nfs/dbraw/zinc/44/73/80/208447380.db2.gz YAISLOMOHJZYNW-UHFFFAOYSA-N 0 0 382.323 4.393 40 0 GIABRN CC1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CN(C(=O)OC(C)(C)C)CC4)CC1 ZINC000168513936 208477775 /nfs/dbraw/zinc/47/77/75/208477775.db2.gz BLQRPBJXYGOMQZ-UHFFFAOYSA-N 0 0 397.519 4.333 40 0 GIABRN CCCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccccn1 ZINC000001362601 208495488 /nfs/dbraw/zinc/49/54/88/208495488.db2.gz NUGNVJBCEDDABL-MRXNPFEDSA-N 0 0 395.532 4.486 40 0 GIABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)N(C)C)cc2c1 ZINC000001367100 208495675 /nfs/dbraw/zinc/49/56/75/208495675.db2.gz QKHQZHWDDSEKRA-UHFFFAOYSA-N 0 0 383.879 4.174 40 0 GIABRN COc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)cc1 ZINC000001362854 208496030 /nfs/dbraw/zinc/49/60/30/208496030.db2.gz UFFMXXQHKBRPRL-INIZCTEOSA-N 0 0 397.862 4.418 40 0 GIABRN O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(Br)o1 ZINC000000861584 208482807 /nfs/dbraw/zinc/48/28/07/208482807.db2.gz SGHJZZATRAQWOU-UHFFFAOYSA-N 0 0 384.189 4.498 40 0 GIABRN COc1ccc(C(=O)N(C)c2nc(-c3cc(OC)ccc3OC)cs2)cc1 ZINC000000880987 208484289 /nfs/dbraw/zinc/48/42/89/208484289.db2.gz OUWUMIJLETVXCT-UHFFFAOYSA-N 0 0 384.457 4.113 40 0 GIABRN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NCC(C)C)n2)cc1 ZINC000000890718 208485598 /nfs/dbraw/zinc/48/55/98/208485598.db2.gz MQVYJCGWGYVFJG-UHFFFAOYSA-N 0 0 399.438 4.035 40 0 GIABRN COc1ccc(Cl)cc1C(=O)CSc1nnc(-c2ccc(C)cc2)n1C ZINC000000898513 208485796 /nfs/dbraw/zinc/48/57/96/208485796.db2.gz JHPVFCZLMIXTIE-UHFFFAOYSA-N 0 0 387.892 4.428 40 0 GIABRN Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc2c(n1)[nH]c1ccccc12 ZINC000000923706 208487070 /nfs/dbraw/zinc/48/70/70/208487070.db2.gz RKHKSUYFDDFDAI-CYBMUJFWSA-N 0 0 377.473 4.242 40 0 GIABRN Cc1ccccc1C(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000001337242 208491617 /nfs/dbraw/zinc/49/16/17/208491617.db2.gz IYTWPKDEZHPBHM-UHFFFAOYSA-N 0 0 381.476 4.220 40 0 GIABRN Cc1ccccc1C(=O)N(Cc1cc2cccc(C)c2n2nnnc12)C1CCCC1 ZINC000001376726 208497196 /nfs/dbraw/zinc/49/71/96/208497196.db2.gz FEDMODYBEXZCCQ-UHFFFAOYSA-N 0 0 399.498 4.479 40 0 GIABRN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1ccccc1F ZINC000001364575 208495296 /nfs/dbraw/zinc/49/52/96/208495296.db2.gz YKHLCUXITRMIDS-UHFFFAOYSA-N 0 0 382.464 4.074 40 0 GIABRN O=C(NC1CCCC1)[C@H](c1ccco1)N(C(=O)c1ccco1)c1ccccc1 ZINC000001379932 208497597 /nfs/dbraw/zinc/49/75/97/208497597.db2.gz CSKYTUVTTXQITQ-FQEVSTJZSA-N 0 0 378.428 4.320 40 0 GIABRN CCc1nnc(NC(=O)CSc2nc(CC)nc3sc(C)c(C)c32)s1 ZINC000004240976 208539591 /nfs/dbraw/zinc/53/95/91/208539591.db2.gz VIORLKRARAFJLL-UHFFFAOYSA-N 0 0 393.563 4.015 40 0 GIABRN COc1ccc2cc3c(N)c(C(=O)Nc4cccc(C(C)=O)c4)sc3nc2c1 ZINC000004848814 208546065 /nfs/dbraw/zinc/54/60/65/208546065.db2.gz HXLVAOOOCJNTAK-UHFFFAOYSA-N 0 0 391.452 4.495 40 0 GIABRN Cn1c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1C1CC1 ZINC000004861176 208546515 /nfs/dbraw/zinc/54/65/15/208546515.db2.gz UNXKHLIMIYOJDY-UHFFFAOYSA-N 0 0 394.500 4.002 40 0 GIABRN O=C(NC1C[C@H]2CCC[C@@H](C1)N2C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000004888240 208546638 /nfs/dbraw/zinc/54/66/38/208546638.db2.gz KWQTZZDHHSSZHQ-IHWFROFDSA-N 0 0 381.451 4.173 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@H]3c2cccs2)cc1 ZINC000006679338 208681850 /nfs/dbraw/zinc/68/18/50/208681850.db2.gz HRSVYKNZVOISHP-SJCJKPOMSA-N 0 0 385.514 4.414 40 0 GIABRN O=C(Nc1ccccc1Cl)c1cc(S(=O)(=O)N2CCCCCC2)cs1 ZINC000006680763 208682656 /nfs/dbraw/zinc/68/26/56/208682656.db2.gz CFIJPMITCGDMLV-UHFFFAOYSA-N 0 0 398.937 4.219 40 0 GIABRN COc1ccccc1NC(=S)N1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000013556087 208785384 /nfs/dbraw/zinc/78/53/84/208785384.db2.gz DMCYWNSJWQCUFB-OAHLLOKOSA-N 0 0 380.517 4.456 40 0 GIABRN CN(C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2)c1ccccc1 ZINC000018209756 208802805 /nfs/dbraw/zinc/80/28/05/208802805.db2.gz HSNNGRZIBLGUMY-BBRMVZONSA-N 0 0 390.365 4.413 40 0 GIABRN COc1cc([C@@H]2N=C(SC)NC(C)=C2C(=O)Nc2ccccc2)ccc1C ZINC000408988452 533122460 /nfs/dbraw/zinc/12/24/60/533122460.db2.gz IACXFWUFAWRBLJ-IBGZPJMESA-N 0 0 381.501 4.280 40 0 GIABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000216361993 208822862 /nfs/dbraw/zinc/82/28/62/208822862.db2.gz AOQUZHUXMOPIBC-OAQYLSRUSA-N 0 0 393.483 4.373 40 0 GIABRN COc1ncccc1NC(=O)c1nc(-c2ccn(C(C)C)c2)n2ccccc12 ZINC000306130040 209100504 /nfs/dbraw/zinc/10/05/04/209100504.db2.gz IUQNSCMTJIWFIQ-UHFFFAOYSA-N 0 0 375.432 4.040 40 0 GIABRN Cc1cccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1C ZINC000219312078 208844802 /nfs/dbraw/zinc/84/48/02/208844802.db2.gz PXSDPJNCMHLQPU-OAHLLOKOSA-N 0 0 399.878 4.433 40 0 GIABRN COC(=O)c1ccccc1NC(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000219453162 208847494 /nfs/dbraw/zinc/84/74/94/208847494.db2.gz JCUWPQRFFNLFDQ-UHFFFAOYSA-N 0 0 388.423 4.006 40 0 GIABRN CC[C@H](Oc1ccc(C)cc1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000219600252 208850243 /nfs/dbraw/zinc/85/02/43/208850243.db2.gz CHUUROXMFOJNPY-IBGZPJMESA-N 0 0 379.460 4.169 40 0 GIABRN C[C@H](Oc1ccc(Br)cc1)C(=O)NCCSCc1ccccc1 ZINC000219674957 208850479 /nfs/dbraw/zinc/85/04/79/208850479.db2.gz SSGKJJYRDVYRHS-AWEZNQCLSA-N 0 0 394.334 4.266 40 0 GIABRN Cc1ccc(C)c(NC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 ZINC000220351414 208860132 /nfs/dbraw/zinc/86/01/32/208860132.db2.gz ZXTNKNZSDUBQME-OAHLLOKOSA-N 0 0 394.924 4.058 40 0 GIABRN CC[C@@H](C(=O)NC1CCCCCCC1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220545776 208861598 /nfs/dbraw/zinc/86/15/98/208861598.db2.gz WKBLKFVACLIJMU-IBGZPJMESA-N 0 0 394.581 4.077 40 0 GIABRN CCOc1ccc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1OC ZINC000222655914 208880095 /nfs/dbraw/zinc/88/00/95/208880095.db2.gz UBCUKUCNNCZUGC-UIAACRFSSA-N 0 0 383.517 4.468 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(OC)c(OC)cc3OC)N21 ZINC000222646834 208879693 /nfs/dbraw/zinc/87/96/93/208879693.db2.gz HSLHXOZSUAVIEN-CAYVGHNUSA-N 0 0 399.516 4.087 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 ZINC000222646848 208879893 /nfs/dbraw/zinc/87/98/93/208879893.db2.gz BTZAQNIBXUNPPB-OAQYLSRUSA-N 0 0 384.495 4.009 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1 ZINC000222409081 208875571 /nfs/dbraw/zinc/87/55/71/208875571.db2.gz QXVVXZYFCFSQMX-JOCHJYFZSA-N 0 0 396.531 4.014 40 0 GIABRN CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(Cl)cc1O ZINC000222590549 208877817 /nfs/dbraw/zinc/87/78/17/208877817.db2.gz POXDYZYAWZCDCW-NBHSMZAVSA-N 0 0 389.908 4.429 40 0 GIABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000222829633 208885046 /nfs/dbraw/zinc/88/50/46/208885046.db2.gz ITIWQURKKXCRNX-QGZVFWFLSA-N 0 0 386.923 4.482 40 0 GIABRN COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)cc1 ZINC000222842115 208885822 /nfs/dbraw/zinc/88/58/22/208885822.db2.gz QJSXPTDMDKODRC-RTWAWAEBSA-N 0 0 392.528 4.262 40 0 GIABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 ZINC000222913662 208886570 /nfs/dbraw/zinc/88/65/70/208886570.db2.gz VSVXHJGIDWGSOT-VQTJNVASSA-N 0 0 380.517 4.153 40 0 GIABRN CCc1ccc(O[C@@H](CC)C(=O)NCCCc2ccc(OC)c(OC)c2)cc1 ZINC000222897520 208887156 /nfs/dbraw/zinc/88/71/56/208887156.db2.gz VWUTZPYNVNFFCU-FQEVSTJZSA-N 0 0 385.504 4.173 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(Cl)c1 ZINC000222934585 208888777 /nfs/dbraw/zinc/88/87/77/208888777.db2.gz LNEJNHUEKNIGDX-AWEZNQCLSA-N 0 0 393.314 4.089 40 0 GIABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 ZINC000223075838 208892053 /nfs/dbraw/zinc/89/20/53/208892053.db2.gz WAWYOFURTKCNFV-LEWJYISDSA-N 0 0 398.576 4.397 40 0 GIABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C(C)C)c1C ZINC000223049200 208892168 /nfs/dbraw/zinc/89/21/68/208892168.db2.gz VKYASIMXSPCVRD-VQTJNVASSA-N 0 0 386.565 4.090 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 ZINC000223622859 208907850 /nfs/dbraw/zinc/90/78/50/208907850.db2.gz VKQTXXQFZLTXQU-FQEVSTJZSA-N 0 0 396.531 4.016 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)CCCOc3ccc(C)cc3)s2)cc1 ZINC000223729700 208910216 /nfs/dbraw/zinc/91/02/16/208910216.db2.gz VONJBJXGNNQGOE-UHFFFAOYSA-N 0 0 383.473 4.320 40 0 GIABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2cccc(C)c2C)cc1 ZINC000223328862 208898962 /nfs/dbraw/zinc/89/89/62/208898962.db2.gz FFFPXNCDBJTLIA-STZFKDTASA-N 0 0 390.439 4.315 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1Cc1ccccn1 ZINC000223522116 208904741 /nfs/dbraw/zinc/90/47/41/208904741.db2.gz PFGQQNYHHPUMCR-SJORKVTESA-N 0 0 386.933 4.364 40 0 GIABRN CCC(C)(C)NC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224337052 208923525 /nfs/dbraw/zinc/92/35/25/208923525.db2.gz CSTMSHRQHLARIG-UHFFFAOYSA-N 0 0 394.924 4.084 40 0 GIABRN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 ZINC000224321048 208924364 /nfs/dbraw/zinc/92/43/64/208924364.db2.gz PNLNQSZMQIGKQS-HOTGVXAUSA-N 0 0 383.488 4.227 40 0 GIABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000224367129 208925105 /nfs/dbraw/zinc/92/51/05/208925105.db2.gz BVNJSQRZXOZQFK-JOCHJYFZSA-N 0 0 396.506 4.234 40 0 GIABRN CCc1ccc(CC)c(CNS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1 ZINC000224386492 208925286 /nfs/dbraw/zinc/92/52/86/208925286.db2.gz GZJWQSZEPIHPIO-UHFFFAOYSA-N 0 0 375.534 4.422 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 ZINC000224379220 208925503 /nfs/dbraw/zinc/92/55/03/208925503.db2.gz IAIUCPMWCNHXOR-NRFANRHFSA-N 0 0 384.495 4.010 40 0 GIABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCC ZINC000224368609 208926086 /nfs/dbraw/zinc/92/60/86/208926086.db2.gz QKWNDNWCDIRZEG-NRFANRHFSA-N 0 0 384.495 4.092 40 0 GIABRN COc1cc(C)c(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C(C)C ZINC000223895552 208913352 /nfs/dbraw/zinc/91/33/52/208913352.db2.gz VXYOCWXPONASEU-OAHLLOKOSA-N 0 0 389.517 4.022 40 0 GIABRN Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 ZINC000223935280 208914936 /nfs/dbraw/zinc/91/49/36/208914936.db2.gz RFVDHTJGNFTDSL-UHFFFAOYSA-N 0 0 394.496 4.034 40 0 GIABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 ZINC000224097363 208917632 /nfs/dbraw/zinc/91/76/32/208917632.db2.gz XWBLDPFSIRVBHW-FQEVSTJZSA-N 0 0 396.531 4.035 40 0 GIABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000224095988 208918381 /nfs/dbraw/zinc/91/83/81/208918381.db2.gz PKQJBUPOKATZPY-KRWDZBQOSA-N 0 0 386.923 4.072 40 0 GIABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 ZINC000224153640 208919658 /nfs/dbraw/zinc/91/96/58/208919658.db2.gz YGSQVUIKNDVPPB-JOCHJYFZSA-N 0 0 396.506 4.234 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000224208259 208920123 /nfs/dbraw/zinc/92/01/23/208920123.db2.gz DGNIZEJSZIKZMJ-HXUWFJFHSA-N 0 0 386.923 4.134 40 0 GIABRN CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1cccc(OC)c1 ZINC000224549378 208928507 /nfs/dbraw/zinc/92/85/07/208928507.db2.gz SYAJBQATUOVEPT-VQTJNVASSA-N 0 0 378.501 4.089 40 0 GIABRN CCCC[C@@H](CC)CNC(=O)CCCN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000224646534 208931453 /nfs/dbraw/zinc/93/14/53/208931453.db2.gz FHCMKNOALDLQNN-LJQANCHMSA-N 0 0 396.597 4.182 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 ZINC000224693224 208931574 /nfs/dbraw/zinc/93/15/74/208931574.db2.gz ZNQZSXLZVKYUFX-FQEVSTJZSA-N 0 0 380.532 4.098 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 ZINC000224655122 208931966 /nfs/dbraw/zinc/93/19/66/208931966.db2.gz LVSLGSIMEDKEJE-HXUWFJFHSA-N 0 0 396.531 4.098 40 0 GIABRN CCOc1ccc(NC(=O)CCc2ncc(-c3ccc(OC)cc3OC)o2)cc1 ZINC000224868975 208936704 /nfs/dbraw/zinc/93/67/04/208936704.db2.gz COKACUCZFDPOOE-UHFFFAOYSA-N 0 0 396.443 4.329 40 0 GIABRN COC(=O)c1cc(N(C)S(=O)(=O)c2ccc3ccccc3c2)ccc1Cl ZINC000225063923 208940496 /nfs/dbraw/zinc/94/04/96/208940496.db2.gz NWLDRYSWDOYMQH-UHFFFAOYSA-N 0 0 389.860 4.105 40 0 GIABRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CC ZINC000225514576 208957404 /nfs/dbraw/zinc/95/74/04/208957404.db2.gz BFOUHYOBQFFYOE-NRFANRHFSA-N 0 0 384.495 4.092 40 0 GIABRN CCn1c(=O)sc2cc(NC(=O)Cc3cccc(Br)c3)ccc21 ZINC000225128029 208942591 /nfs/dbraw/zinc/94/25/91/208942591.db2.gz LNECNOULNLECEC-UHFFFAOYSA-N 0 0 391.290 4.027 40 0 GIABRN CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C)cc1 ZINC000225349589 208948355 /nfs/dbraw/zinc/94/83/55/208948355.db2.gz POJQAWDORWZEQK-RTWAWAEBSA-N 0 0 392.528 4.384 40 0 GIABRN O=C(CCc1c(Cl)cccc1Cl)N1CCN(c2ccccc2F)CC1 ZINC000225348608 208949248 /nfs/dbraw/zinc/94/92/48/208949248.db2.gz DSGRUFGBHFTUKE-UHFFFAOYSA-N 0 0 381.278 4.414 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(OC)c(Cl)c1 ZINC000225498011 208954614 /nfs/dbraw/zinc/95/46/14/208954614.db2.gz RLEROYUERKOEEC-MRXNPFEDSA-N 0 0 375.852 4.389 40 0 GIABRN Cc1ccccc1CN(C(=O)Cc1cccc(Cl)c1)[C@H](C)C(=O)NC(C)C ZINC000225495737 208955178 /nfs/dbraw/zinc/95/51/78/208955178.db2.gz BHSCBXIVZKNOKD-QGZVFWFLSA-N 0 0 386.923 4.133 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1 ZINC000225493437 208955352 /nfs/dbraw/zinc/95/53/52/208955352.db2.gz GXZFJFNLCYBCFW-DENIHFKCSA-N 0 0 380.532 4.260 40 0 GIABRN COC(=O)c1cc(NC(=S)N[C@@H](C)COc2ccc(C)cc2)ccc1Cl ZINC000225641933 208965169 /nfs/dbraw/zinc/96/51/69/208965169.db2.gz GNZKQGXZGDGCEU-ZDUSSCGKSA-N 0 0 392.908 4.189 40 0 GIABRN CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1 ZINC000225658157 208966587 /nfs/dbraw/zinc/96/65/87/208966587.db2.gz QXYHQSMPYYKJGT-QGZVFWFLSA-N 0 0 386.923 4.072 40 0 GIABRN Cc1cc(C)cc(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)c1 ZINC000225693631 208968465 /nfs/dbraw/zinc/96/84/65/208968465.db2.gz MUIHWSYTPBFIBP-LJQANCHMSA-N 0 0 398.522 4.175 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)COc1ccccc1OC ZINC000225714630 208971003 /nfs/dbraw/zinc/97/10/03/208971003.db2.gz XKNFDRWHKDTTLM-UWJYYQICSA-N 0 0 397.515 4.315 40 0 GIABRN CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000225745610 208973634 /nfs/dbraw/zinc/97/36/34/208973634.db2.gz QPYXOVSXXNBEMP-JOCHJYFZSA-N 0 0 380.532 4.199 40 0 GIABRN COc1cccc(-c2nnsc2C(=O)Nc2ccccc2Br)c1 ZINC000225765875 208975137 /nfs/dbraw/zinc/97/51/37/208975137.db2.gz XOQWIFBVZPQNCD-UHFFFAOYSA-N 0 0 390.262 4.229 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000225786042 208976232 /nfs/dbraw/zinc/97/62/32/208976232.db2.gz YNZADLKLCVZSNJ-OAQYLSRUSA-N 0 0 381.516 4.325 40 0 GIABRN Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1C ZINC000225791158 208976341 /nfs/dbraw/zinc/97/63/41/208976341.db2.gz XPQLFAMPQJWRLF-QGZVFWFLSA-N 0 0 397.544 4.184 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c(C)c1C ZINC000225787257 208976388 /nfs/dbraw/zinc/97/63/88/208976388.db2.gz ZYLVOWWEPQNGLY-HNNXBMFYSA-N 0 0 375.534 4.347 40 0 GIABRN O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)NCc1ccccn1 ZINC000225831124 208979056 /nfs/dbraw/zinc/97/90/56/208979056.db2.gz OOHGPAKBWJZKJH-UHFFFAOYSA-N 0 0 384.439 4.048 40 0 GIABRN CC1(C(=O)Nc2ccc(OC(F)(F)F)cc2)COC(c2ccccc2)OC1 ZINC000225914854 208983182 /nfs/dbraw/zinc/98/31/82/208983182.db2.gz QQKUTYDHUXHWLJ-UHFFFAOYSA-N 0 0 381.350 4.276 40 0 GIABRN COc1c(Br)cc(Br)cc1C(=O)N1CCCC[C@H]1C ZINC000059843523 209000586 /nfs/dbraw/zinc/00/05/86/209000586.db2.gz MNDKIRWNAZEESE-SECBINFHSA-N 0 0 391.103 4.235 40 0 GIABRN CC(C)n1ccc(-c2nc(C(=O)NCc3ccc(F)cc3)c3ccccn32)c1 ZINC000306126830 209097561 /nfs/dbraw/zinc/09/75/61/209097561.db2.gz FGKMEKYFIJOIII-UHFFFAOYSA-N 0 0 376.435 4.453 40 0 GIABRN Cc1ccc(CN2C[C@H]3[C@H](C2)c2cc(-c4ccoc4)ccc2S3(=O)=O)s1 ZINC000306125552 209097250 /nfs/dbraw/zinc/09/72/50/209097250.db2.gz CTTNPNRUQVOXTO-QUCCMNQESA-N 0 0 385.510 4.072 40 0 GIABRN CC(C)n1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccoc2)CC1 ZINC000306125223 209097115 /nfs/dbraw/zinc/09/71/15/209097115.db2.gz CJUUGEBBJCJJTA-UHFFFAOYSA-N 0 0 377.444 4.248 40 0 GIABRN Fc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c4ccccc34)n2)c(F)c1 ZINC000096112657 209008575 /nfs/dbraw/zinc/00/85/75/209008575.db2.gz DBJFYOPPERUNSV-NRFANRHFSA-N 0 0 394.425 4.410 40 0 biogenic,in-vitro GIABRN CCOCC[C@@H]1CCOC12CCN(C(=O)CCc1ccccc1Cl)CC2 ZINC000253386357 209039395 /nfs/dbraw/zinc/03/93/95/209039395.db2.gz WLIRLOJRERIKSV-GOSISDBHSA-N 0 0 379.928 4.097 40 0 GIABRN Cc1cnn(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)c1 ZINC000257255124 209061672 /nfs/dbraw/zinc/06/16/72/209061672.db2.gz KGELGDSSAXLCJJ-LJQANCHMSA-N 0 0 398.894 4.178 40 0 GIABRN CC(=O)N[C@@H]1C[C@H](c2ccc(OCc3c(C)noc3C)cc2)O[C@@H]2CCCC[C@@H]12 ZINC000257200389 209054042 /nfs/dbraw/zinc/05/40/42/209054042.db2.gz ADBPEFCFJLHLJJ-MLDBQTBOSA-N 0 0 398.503 4.395 40 0 GIABRN COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2cccnc2)o1 ZINC000257206834 209056340 /nfs/dbraw/zinc/05/63/40/209056340.db2.gz BFBSJWRNOSMFNO-LJQANCHMSA-N 0 0 377.444 4.036 40 0 GIABRN Cc1noc(C)c1-c1cc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)ccn1 ZINC000257217445 209058469 /nfs/dbraw/zinc/05/84/69/209058469.db2.gz CYYWFQZNNIHCGJ-UHFFFAOYSA-N 0 0 393.462 4.441 40 0 GIABRN Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc[nH]n2)cc1NCc1cccnc1 ZINC000257214825 209058493 /nfs/dbraw/zinc/05/84/93/209058493.db2.gz CNOCFWAOLRUDKU-OAQYLSRUSA-N 0 0 375.476 4.093 40 0 GIABRN CC(C)(C)OC(=O)N1CC[C@H]2O[C@H]3c4cccc(O)c4OC(C)(C)[C@@H]3C[C@@H]2C1 ZINC000257255623 209061885 /nfs/dbraw/zinc/06/18/85/209061885.db2.gz KIFMRSIOQSWWHP-UWIFEVILSA-N 0 0 389.492 4.266 40 0 GIABRN CN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CC2)CC1 ZINC000257262391 209061255 /nfs/dbraw/zinc/06/12/55/209061255.db2.gz LLEUIWJPZTUQII-UHFFFAOYSA-N 0 0 390.527 4.003 40 0 GIABRN O=C(COc1ccccc1)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257273544 209064508 /nfs/dbraw/zinc/06/45/08/209064508.db2.gz NHBNICDJEIJULX-HXUWFJFHSA-N 0 0 380.419 4.147 40 0 GIABRN O=C(c1cccc(=O)[nH]1)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257254784 209062176 /nfs/dbraw/zinc/06/21/76/209062176.db2.gz KEQPAAXNSDZXLH-SFHVURJKSA-N 0 0 397.862 4.387 40 0 GIABRN Cc1ccc(OCc2nnc(SCc3cc(=O)[nH]c4ccccc34)o2)cc1 ZINC000008579984 221044525 /nfs/dbraw/zinc/04/45/25/221044525.db2.gz GDRODLFQVMCOQC-UHFFFAOYSA-N 0 0 379.441 4.091 40 0 GIABRN O=C(c1ncccn1)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257271744 209064745 /nfs/dbraw/zinc/06/47/45/209064745.db2.gz MZQHULVCWZNGPK-KRWDZBQOSA-N 0 0 382.851 4.076 40 0 GIABRN COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)c4scnc4C)C3)o2)c1 ZINC000257282853 209065982 /nfs/dbraw/zinc/06/59/82/209065982.db2.gz OVOXUJXQFCTFIE-INIZCTEOSA-N 0 0 397.500 4.059 40 0 GIABRN CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)c2ccc3ccccc3n2)n1 ZINC000257274675 209066611 /nfs/dbraw/zinc/06/66/11/209066611.db2.gz NMBNCMBTZJGLMI-FQEVSTJZSA-N 0 0 388.515 4.323 40 0 GIABRN O=C(c1cncs1)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257281797 209066693 /nfs/dbraw/zinc/06/66/93/209066693.db2.gz ORAUUPWXHPAVSY-AWEZNQCLSA-N 0 0 387.892 4.395 40 0 GIABRN COc1ccc([C@H]2C[C@@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1OC(F)F ZINC000257280422 209066944 /nfs/dbraw/zinc/06/69/44/209066944.db2.gz OKUFJQCUKOGCOV-QPNURLTJSA-N 0 0 397.462 4.458 40 0 GIABRN CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)c2ccc3ccccc3n2)n1 ZINC000257274676 209067099 /nfs/dbraw/zinc/06/70/99/209067099.db2.gz NMBNCMBTZJGLMI-HXUWFJFHSA-N 0 0 388.515 4.323 40 0 GIABRN CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCC[N@H+](CCCC(=O)[O-])[C@H]3C[C@@H]21 ZINC000257281944 209067115 /nfs/dbraw/zinc/06/71/15/209067115.db2.gz ORQDYFOIUJEHMV-ZTTFOMCMSA-N 0 0 393.911 4.286 40 0 GIABRN O=C(c1ncccc1O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257294736 209068907 /nfs/dbraw/zinc/06/89/07/209068907.db2.gz QVMKHNFYUARPNA-HNNXBMFYSA-N 0 0 397.862 4.039 40 0 GIABRN Cc1cc(C)n(CC(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)n1 ZINC000257290570 209069821 /nfs/dbraw/zinc/06/98/21/209069821.db2.gz QDLOKFUWVYKCGN-LJQANCHMSA-N 0 0 398.894 4.096 40 0 GIABRN Cc1ccc(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)cn1 ZINC000257292448 209069151 /nfs/dbraw/zinc/06/91/51/209069151.db2.gz QLNCXLHOELQPKK-SFHVURJKSA-N 0 0 379.435 4.128 40 0 GIABRN COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)C(C)C)ccc1F ZINC000257287149 209069602 /nfs/dbraw/zinc/06/96/02/209069602.db2.gz POSRQNBLKIQISW-DXANDOGBSA-N 0 0 389.511 4.489 40 0 GIABRN Cc1noc(C)c1CC(=O)N1CCC[C@@H](Nc2cccc(F)c2)[C@H]1CC(C)C ZINC000257291574 209069652 /nfs/dbraw/zinc/06/96/52/209069652.db2.gz QHPGUHHYVFPHNA-NHCUHLMSSA-N 0 0 387.499 4.491 40 0 GIABRN CC(=O)Nc1ccc([C@H]2C[C@@](C)(NC(=O)C(C)C)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1 ZINC000257295709 209070907 /nfs/dbraw/zinc/07/09/07/209070907.db2.gz QZOJFDLMRVDTTO-LBZJANNGSA-N 0 0 386.536 4.442 40 0 GIABRN Cc1cccc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)n1 ZINC000257298227 209071011 /nfs/dbraw/zinc/07/10/11/209071011.db2.gz RKSVDSXCTQZMFU-QGZVFWFLSA-N 0 0 379.435 4.128 40 0 GIABRN CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CC[N@H+](CCCC(=O)[O-])C[C@@H]3C[C@@H]21 ZINC000257300488 209071300 /nfs/dbraw/zinc/07/13/00/209071300.db2.gz RUMVUWFHZFBUJQ-VZYKRBATSA-N 0 0 393.911 4.144 40 0 GIABRN O=C([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](Cc3cccnc3)C2)o1 ZINC000257300643 209070338 /nfs/dbraw/zinc/07/03/38/209070338.db2.gz RVECBEIJPMIZMT-SFHVURJKSA-N 0 0 376.456 4.495 40 0 GIABRN COc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc12 ZINC000409017800 533239880 /nfs/dbraw/zinc/23/98/80/533239880.db2.gz VWLRRASHHRQFEE-XDHOZWIPSA-N 0 0 376.387 4.080 40 0 GIABRN COC(=O)C1C(c2ccc(Cl)cc2)=NC(=S)N[C@@H]1c1ccc(Cl)cc1 ZINC000105093602 533270499 /nfs/dbraw/zinc/27/04/99/533270499.db2.gz LODZCJJDQZZJFP-OAHLLOKOSA-N 0 0 393.295 4.097 40 0 GIABRN COCCN1C(=O)S/C(=C/c2ccccc2OCc2cccc(F)c2)C1=O ZINC000409130572 533340610 /nfs/dbraw/zinc/34/06/10/533340610.db2.gz IFYIXMDWXPKWKA-LDADJPATSA-N 0 0 387.432 4.087 40 0 GIABRN CS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2Sc2ccccc2)c1 ZINC000010314841 533421088 /nfs/dbraw/zinc/42/10/88/533421088.db2.gz MTVOCKFIMLKVFQ-UHFFFAOYSA-N 0 0 398.509 4.462 40 0 GIABRN COc1c(O)cc2c(c1OC)-c1c(cc(O)c(OC)c1OC)C[C@H](C)[C@@H](C)C2 ZINC000015262525 533442808 /nfs/dbraw/zinc/44/28/08/533442808.db2.gz PICOUNAPKDEPCA-RYUDHWBXSA-N 0 0 388.460 4.170 40 0 biogenic,in-vitro GIABRN COc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408922189 533474740 /nfs/dbraw/zinc/47/47/40/533474740.db2.gz DWPXWIUZKMDNGD-NVNXTCNLSA-N 0 0 392.839 4.205 40 0 GIABRN COc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)ccc1OC(C)C ZINC000408810589 533475647 /nfs/dbraw/zinc/47/56/47/533475647.db2.gz MJHBGLMLHBNDCC-UHFFFAOYSA-N 0 0 387.456 4.384 40 0 GIABRN CCc1cc2ccc(C)cc2nc1SCC(=O)N1CC(=O)Nc2ccccc21 ZINC000001340034 136193141 /nfs/dbraw/zinc/19/31/41/136193141.db2.gz MBTFYCXQHZYZSW-UHFFFAOYSA-N 0 0 391.496 4.183 40 0 GIABRN Fc1ccc(N2CCN(c3ncnc4c(-c5ccccc5)nsc43)CC2)cc1 ZINC000001370718 136193272 /nfs/dbraw/zinc/19/32/72/136193272.db2.gz GIMNBHDCTVSLSR-UHFFFAOYSA-N 0 0 391.475 4.219 40 0 GIABRN CCCCOc1ccc(NC(=O)[C@@H]2CCCN(c3nc(C)cc(C)n3)C2)cc1 ZINC000004967850 136194334 /nfs/dbraw/zinc/19/43/34/136194334.db2.gz AZFKDXGSEDDKRB-GOSISDBHSA-N 0 0 382.508 4.127 40 0 GIABRN CCCC(=O)N1c2ccccc2[C@@H](N(c2ccccc2)S(C)(=O)=O)C[C@H]1C ZINC000010153309 136197357 /nfs/dbraw/zinc/19/73/57/136197357.db2.gz MMUMPUHFERDLDN-UZLBHIALSA-N 0 0 386.517 4.119 40 0 GIABRN CCCCOc1ccc(NC(=O)CN2CCN(c3cccc(C)c3)[C@@H](C)C2)cc1 ZINC000013564488 136201160 /nfs/dbraw/zinc/20/11/60/136201160.db2.gz OYNFLOAXQMPSGD-FQEVSTJZSA-N 0 0 395.547 4.323 40 0 GIABRN CCc1cc2cc(C)ccc2nc1SCC(=O)N1CC(=O)Nc2ccccc21 ZINC000015935719 136201969 /nfs/dbraw/zinc/20/19/69/136201969.db2.gz FJURDIHUNHXAHL-UHFFFAOYSA-N 0 0 391.496 4.183 40 0 GIABRN CC(C)(C)c1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000218929813 136203970 /nfs/dbraw/zinc/20/39/70/136203970.db2.gz COAYHLMXRMMUHT-UHFFFAOYSA-N 0 0 386.923 4.365 40 0 GIABRN O=C(Nc1ccc2ccccc2c1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000224379335 136207048 /nfs/dbraw/zinc/20/70/48/136207048.db2.gz RGIDXADGPNYFTM-UHFFFAOYSA-N 0 0 380.469 4.022 40 0 GIABRN COc1ccc(O)c([C@H]2C[C@@](C)(NC(=O)C(C)C)[C@@H]3CC[C@@H](C)C[C@H]3O2)c1 ZINC000257325646 209076843 /nfs/dbraw/zinc/07/68/43/209076843.db2.gz WTUNREIOKHSXCS-YFBSMOTNSA-N 0 0 375.509 4.198 40 0 GIABRN Cc1nc(C)c(CC(=O)N2CCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)s1 ZINC000257339225 209077789 /nfs/dbraw/zinc/07/77/89/209077789.db2.gz ZAUCLZGSZIUJSM-SFHVURJKSA-N 0 0 399.491 4.384 40 0 GIABRN CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCC[C@H](OC)C1)c1nc2cccnc2n1C(C)C ZINC000072342227 222230971 /nfs/dbraw/zinc/23/09/71/222230971.db2.gz WTPIMVBSPBFFDA-VXIBKDFQSA-N 0 0 386.540 4.421 40 0 GIABRN COc1ccc(Cc2cccc(C3CCN(C(=O)c4cccnc4)CC3)n2)cc1 ZINC000072349118 222235405 /nfs/dbraw/zinc/23/54/05/222235405.db2.gz FEUVOKJWPURWGJ-UHFFFAOYSA-N 0 0 387.483 4.096 40 0 GIABRN Cn1ccnc1CN1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000072350021 222235943 /nfs/dbraw/zinc/23/59/43/222235943.db2.gz KMKCAQNXGPXNPD-UHFFFAOYSA-N 0 0 380.923 4.439 40 0 GIABRN Cn1ccc(C(=O)N2CCC[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)n1 ZINC000072349925 222236251 /nfs/dbraw/zinc/23/62/51/222236251.db2.gz KIYIKDYHRYNTCX-QGZVFWFLSA-N 0 0 394.906 4.079 40 0 GIABRN CCn1ccnc1CN1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072350296 222236303 /nfs/dbraw/zinc/23/63/03/222236303.db2.gz HGCSSPHZUPQISG-LJQANCHMSA-N 0 0 378.495 4.408 40 0 GIABRN COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)Cc3ccncc3)C2)n1 ZINC000072349426 222236356 /nfs/dbraw/zinc/23/63/56/222236356.db2.gz GUEKRKPERXQIGM-LJQANCHMSA-N 0 0 387.483 4.101 40 0 GIABRN O=C(c1ccncc1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072349165 222236776 /nfs/dbraw/zinc/23/67/76/222236776.db2.gz DDHDUJPBUYXODK-LJQANCHMSA-N 0 0 375.447 4.226 40 0 GIABRN Cc1nc(C(=O)N2CCC(c3cccc(Cc4ccc(F)cc4)n3)CC2)co1 ZINC000072350461 222237613 /nfs/dbraw/zinc/23/76/13/222237613.db2.gz MLNGKQPVHRRLPG-UHFFFAOYSA-N 0 0 379.435 4.128 40 0 GIABRN CCC(=O)N1CCC[C@](Cc2cccc(-c3ccccc3)c2)(C(=O)N(C)C)C1 ZINC000072391268 222249393 /nfs/dbraw/zinc/24/93/93/222249393.db2.gz UKMQOJSZAPCNSV-XMMPIXPASA-N 0 0 378.516 4.003 40 0 GIABRN CCNC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)CC)C1 ZINC000072391558 222249853 /nfs/dbraw/zinc/24/98/53/222249853.db2.gz SFSDIDOMKPNZDM-DEOSSOPVSA-N 0 0 396.506 4.190 40 0 GIABRN COC(=O)c1c(NC(=O)[C@H](C)SCc2ccccc2)sc2c1CCC2 ZINC000408564625 533700476 /nfs/dbraw/zinc/70/04/76/533700476.db2.gz YVZGUWSEOLTQRE-LBPRGKRZSA-N 0 0 375.515 4.284 40 0 GIABRN Cc1c(F)cccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000408999896 533890845 /nfs/dbraw/zinc/89/08/45/533890845.db2.gz SYMCJWFGRNBXRB-NRFANRHFSA-N 0 0 376.431 4.114 40 0 GIABRN Cc1ccc(CN2C(=O)N/C(=C\c3ccc(-c4cccc(F)c4)o3)C2=O)cc1 ZINC000409020100 533911478 /nfs/dbraw/zinc/91/14/78/533911478.db2.gz LWPJACBSJAEPOH-UNOMPAQXSA-N 0 0 376.387 4.487 40 0 GIABRN COc1ccc(N(Cc2cccc(C)c2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000408627918 533986892 /nfs/dbraw/zinc/98/68/92/533986892.db2.gz RMFFRPIWFUFHJF-UHFFFAOYSA-N 0 0 397.496 4.408 40 0 GIABRN Cc1cc(C)cc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)c1 ZINC000408666958 534082350 /nfs/dbraw/zinc/08/23/50/534082350.db2.gz ARKVRRURWPLUCE-OZOXKJRCSA-N 0 0 388.467 4.257 40 0 GIABRN Cc1cc(C)cc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)c1 ZINC000408666955 534082495 /nfs/dbraw/zinc/08/24/95/534082495.db2.gz ARKVRRURWPLUCE-LDQXTDLNSA-N 0 0 388.467 4.257 40 0 GIABRN COc1ccc(NC(=O)CSc2nc(C)cc(-c3ccc(C)cc3)n2)cc1 ZINC000408528885 534085870 /nfs/dbraw/zinc/08/58/70/534085870.db2.gz XHVARFFFUAKMBM-UHFFFAOYSA-N 0 0 379.485 4.500 40 0 GIABRN Cc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409183507 534192044 /nfs/dbraw/zinc/19/20/44/534192044.db2.gz ULWXAWUYCSTWQZ-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN Cc1ccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)cc1C ZINC000408672539 534192305 /nfs/dbraw/zinc/19/23/05/534192305.db2.gz NPUJAQZAKYNPAP-LXGCGDOSSA-N 0 0 390.483 4.481 40 0 GIABRN Cc1ccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC=C(C)C[C@@H]3C2=O)c(C)c1 ZINC000408685047 534192636 /nfs/dbraw/zinc/19/26/36/534192636.db2.gz PZNBXIXKWIBDMB-MJGOQNOKSA-N 0 0 388.467 4.401 40 0 GIABRN Cc1ccc2nsnc2c1NC(=S)NC(=O)c1cccc2ccccc21 ZINC000408572258 534525521 /nfs/dbraw/zinc/52/55/21/534525521.db2.gz HQLTXIKQXZFGHM-UHFFFAOYSA-N 0 0 378.482 4.280 40 0 GIABRN CCCc1cc(C(=O)NC[C@H]2CC[C@H](c3n[nH]cc3-c3ccncc3)CC2)no1 ZINC000100744857 521358055 /nfs/dbraw/zinc/35/80/55/521358055.db2.gz GWZHHQNHDMKECN-WOVMCDHWSA-N 0 0 393.491 4.116 40 0 GIABRN COc1cc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc(OC)c1OC ZINC000020143259 522149808 /nfs/dbraw/zinc/14/98/08/522149808.db2.gz NYEHSPGJPLTGFE-UHFFFAOYSA-N 0 0 397.427 4.025 40 0 GIABRN O=C(COc1ccccc1)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl ZINC000408628043 534634205 /nfs/dbraw/zinc/63/42/05/534634205.db2.gz PVEWMBSWFVSXMB-UHFFFAOYSA-N 0 0 388.798 4.251 40 0 GIABRN O=C(CSc1nnc(COc2ccccc2F)o1)Nc1ccc(Cl)cc1 ZINC000409385941 534677229 /nfs/dbraw/zinc/67/72/29/534677229.db2.gz OSBRPQNOEFLTKK-UHFFFAOYSA-N 0 0 393.827 4.172 40 0 GIABRN O=C1NC(Nc2ccccc2F)S/C1=C\c1cc(Br)ccc1O ZINC000408804407 534802524 /nfs/dbraw/zinc/80/25/24/534802524.db2.gz FPEADNZFSDMLAY-UHFFFAOYSA-N 0 0 394.245 4.057 40 0 GIABRN CC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)Cc1ccccc1)N2 ZINC000409106180 526648461 /nfs/dbraw/zinc/64/84/61/526648461.db2.gz MJRZCUDYEGXCHF-VCBZYWHSSA-N 0 0 382.426 4.141 40 0 GIABRN CC(C)C1=C[C@@](O)(C(F)(F)F)N(C(=O)CSCc2ccccc2Cl)N1 ZINC000409177731 527625946 /nfs/dbraw/zinc/62/59/46/527625946.db2.gz GRIOAEZHKYDTGU-OAHLLOKOSA-N 0 0 394.846 4.068 40 0 GIABRN CC(C)COC(=O)N[C@@H](C)C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000408998653 528075650 /nfs/dbraw/zinc/07/56/50/528075650.db2.gz NJDQNDBATNETRA-INIZCTEOSA-N 0 0 389.492 4.231 40 0 GIABRN CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1F ZINC000409002695 528076005 /nfs/dbraw/zinc/07/60/05/528076005.db2.gz PDTBRJVZQYYKOY-FQEVSTJZSA-N 0 0 397.450 4.239 40 0 GIABRN CC(C)c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000113940164 528116314 /nfs/dbraw/zinc/11/63/14/528116314.db2.gz HAYYUIMCNDOPFW-CQSZACIVSA-N 0 0 394.924 4.257 40 0 GIABRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccccc3Cl)C(=O)[C@H]2C1 ZINC000408687030 528122618 /nfs/dbraw/zinc/12/26/18/528122618.db2.gz TXTKMOPGUIDLFA-HOCLYGCPSA-N 0 0 394.858 4.438 40 0 GIABRN CCOc1cc2c(cc1/C=C1/SC(=O)N(CC3CCCCC3)C1=O)OCO2 ZINC000409146468 528338267 /nfs/dbraw/zinc/33/82/67/528338267.db2.gz STEYOQVACSQKIM-GIJQJNRQSA-N 0 0 389.473 4.431 40 0 GIABRN CCOc1ccc(C(=O)Nc2ccc(I)cc2F)cc1 ZINC000408623458 528406787 /nfs/dbraw/zinc/40/67/87/528406787.db2.gz UKNGJPOBWBMUKH-UHFFFAOYSA-N 0 0 385.176 4.081 40 0 GIABRN CCOc1ccc(Cl)cc1/C=c1/sc2nc3cc(C)c(C)cc3n2c1=O ZINC000409390390 528470773 /nfs/dbraw/zinc/47/07/73/528470773.db2.gz FEKZNDZUPISVFZ-VCHYOVAHSA-N 0 0 384.888 4.126 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)c2cn(CC)c3ccccc3c2=O)cc1 ZINC000408713247 528566140 /nfs/dbraw/zinc/56/61/40/528566140.db2.gz PNEITDHLMCEBNE-UHFFFAOYSA-N 0 0 392.455 4.231 40 0 GIABRN CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1NC(=O)CC ZINC000408696717 528587909 /nfs/dbraw/zinc/58/79/09/528587909.db2.gz DTISCHGDABJIFA-UHFFFAOYSA-N 0 0 396.896 4.196 40 0 GIABRN CCC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 ZINC000408547550 528899298 /nfs/dbraw/zinc/89/92/98/528899298.db2.gz ZQXAQRBIKICVOR-QGZVFWFLSA-N 0 0 388.533 4.331 40 0 GIABRN CCCCc1nnc(SCC(=O)NC(c2ccccc2)c2ccccc2)n1C ZINC000408560132 529055235 /nfs/dbraw/zinc/05/52/35/529055235.db2.gz BKDMMLRZHYJNDZ-UHFFFAOYSA-N 0 0 394.544 4.156 40 0 GIABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1OCC ZINC000408585581 529107529 /nfs/dbraw/zinc/10/75/29/529107529.db2.gz GLNXOWDKRDRTEM-UHFFFAOYSA-N 0 0 392.477 4.071 40 0 GIABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1OC ZINC000408587966 529107646 /nfs/dbraw/zinc/10/76/46/529107646.db2.gz VHBADGYUIYHZQJ-UHFFFAOYSA-N 0 0 398.868 4.026 40 0 GIABRN CCc1cccc(C)c1NC(=O)CSc1nnc(C)n1-c1ccc(C)cc1 ZINC000004835884 529157686 /nfs/dbraw/zinc/15/76/86/529157686.db2.gz GQWAXSQMRFJSBD-UHFFFAOYSA-N 0 0 380.517 4.486 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(OC)cc1 ZINC000408705805 529373958 /nfs/dbraw/zinc/37/39/58/529373958.db2.gz NTLSBYNITZSUSV-QRWLVFNGSA-N 0 0 384.476 4.020 40 0 GIABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000222956305 535817773 /nfs/dbraw/zinc/81/77/73/535817773.db2.gz BXNKEABPDODKJU-HXUWFJFHSA-N 0 0 386.923 4.463 40 0 GIABRN COc1ccc2cc(CNc3ccc(N4CCC[C@@H](C)C4)cc3)c(=O)[nH]c2c1 ZINC000072396142 537035180 /nfs/dbraw/zinc/03/51/80/537035180.db2.gz XDJLUORGHYUGLT-MRXNPFEDSA-N 0 0 377.488 4.385 40 0 GIABRN CC1(C)[C@H](Cc2cc(-c3ccc(F)cc3)on2)C[C@@H]1NC(=O)c1cccnc1 ZINC000067890231 560050113 /nfs/dbraw/zinc/05/01/13/560050113.db2.gz UOUBGXKZZORAFD-UZLBHIALSA-N 0 0 379.435 4.263 40 0 biogenic,in-vitro GIABRN CCNC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N(C)Cc2ccccc2)C[C@H]1C(C)C ZINC000030880071 560090028 /nfs/dbraw/zinc/09/00/28/560090028.db2.gz XCXGMOJKOZDKBT-FKBYEOEOSA-N 0 0 399.579 4.209 40 0 biogenic,in-vitro GIABRN COc1ccc(-c2c([O-])c3c(cc4c(c3OC)CCC(C)(C)O4)oc2=O)cc1 ZINC000005408229 560201638 /nfs/dbraw/zinc/20/16/38/560201638.db2.gz WJMJXJYEGROEHH-UHFFFAOYSA-N 0 0 382.412 4.286 40 0 biogenic,in-vitro GIABRN O=C(c1ccc(F)cc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(C3CCCCC3)ccc12 ZINC000008297943 560208271 /nfs/dbraw/zinc/20/82/71/560208271.db2.gz YVBKOICSMMWLJI-QFBILLFUSA-N 0 0 394.490 4.295 40 0 biogenic,in-vitro GIABRN COc1c(O)cc2c(c1OC)-c1c(cc(O)c(OC)c1OC)C[C@@H](C)[C@H](C)C2 ZINC000015262528 560229903 /nfs/dbraw/zinc/22/99/03/560229903.db2.gz PICOUNAPKDEPCA-VXGBXAGGSA-N 0 0 388.460 4.170 40 0 biogenic,in-vitro GIABRN Cc1cc(F)ccc1Nc1cc(-c2ccncc2)nc(N[C@@H](CO)C(C)C)n1 ZINC000328985653 570210714 /nfs/dbraw/zinc/21/07/14/570210714.db2.gz HTSAOJJXGYHLKB-IBGZPJMESA-N 0 0 381.455 4.159 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)cc2)cc(-c2ccncc2)n1 ZINC000329000134 570211494 /nfs/dbraw/zinc/21/14/94/570211494.db2.gz KAEVIVGMPVTSFL-SFHVURJKSA-N 0 0 383.883 4.364 40 0 GIABRN FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(NC3CCCC3)ncn1)C2 ZINC000328999978 570211587 /nfs/dbraw/zinc/21/15/87/570211587.db2.gz JXVOJQRNFWWEPN-UHFFFAOYSA-N 0 0 378.398 4.292 40 0 GIABRN O=C(NCc1ccncc1)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 ZINC000096147749 570214517 /nfs/dbraw/zinc/21/45/17/570214517.db2.gz NSDDJEIFBDOXKN-UHFFFAOYSA-N 0 0 396.406 4.475 40 0 GIABRN Fc1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)c(F)c1 ZINC000329068710 570216366 /nfs/dbraw/zinc/21/63/66/570216366.db2.gz YSIQLZZSSCODCS-UHFFFAOYSA-N 0 0 381.430 4.149 40 0 GIABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(C(F)(F)F)nc(NC2CC2)n1 ZINC000329068283 570216458 /nfs/dbraw/zinc/21/64/58/570216458.db2.gz YOIBABZUVRYRIZ-UHFFFAOYSA-N 0 0 392.303 4.442 40 0 GIABRN COc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)cc1 ZINC000205614496 570225965 /nfs/dbraw/zinc/22/59/65/570225965.db2.gz AJMJGCLDEKDGGG-ZHZULCJRSA-N 0 0 376.412 4.006 40 0 GIABRN CC(C)(C)OC(=O)N1CCC(c2cn3cccc3c(Nc3nccs3)n2)CC1 ZINC000585263513 570231661 /nfs/dbraw/zinc/23/16/61/570231661.db2.gz PGVVYUSQZAFZFL-UHFFFAOYSA-N 0 0 399.520 4.071 40 0 GIABRN Cc1c2ccc(C)cc2oc1C(=O)N(C)[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585274542 570243909 /nfs/dbraw/zinc/24/39/09/570243909.db2.gz YEAUFDRLIFBMHR-KCZVDYSFSA-N 0 0 393.483 4.483 40 0 GIABRN COc1cccc(NC(=O)c2ccc(OC(=S)N3CCC(C)CC3)cc2)c1 ZINC000005306990 570252488 /nfs/dbraw/zinc/25/24/88/570252488.db2.gz YGZAKRXWYMKMDT-UHFFFAOYSA-N 0 0 384.501 4.343 40 0 GIABRN CCc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3ccnn3C)cs2)cc1 ZINC000585295123 570274941 /nfs/dbraw/zinc/27/49/41/570274941.db2.gz MMWYLJQHZUHHOR-LJQANCHMSA-N 0 0 395.532 4.028 40 0 GIABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4)cc3n2)cc1 ZINC000020611242 570280966 /nfs/dbraw/zinc/28/09/66/570280966.db2.gz XFAYRVBVLRNZPQ-UHFFFAOYSA-N 0 0 386.455 4.309 40 0 GIABRN Cc1ccc(Cn2c3nnc(-c4ccccc4C)n3c3ccccc3c2=O)cc1 ZINC000006781168 570283743 /nfs/dbraw/zinc/28/37/43/570283743.db2.gz DYUCSAMXFVHZTF-UHFFFAOYSA-N 0 0 380.451 4.376 40 0 GIABRN COc1ccc(C(=O)[C@@H](c2ccc(OC)cc2)[C@@H]2c3ccccc3OC2=O)cc1 ZINC000102935276 570293212 /nfs/dbraw/zinc/29/32/12/570293212.db2.gz MZLRPXKKFRFKOM-VXKWHMMOSA-N 0 0 388.419 4.373 40 0 GIABRN O=S1(=O)CC[C@@H](N(Cc2ccccc2)C(c2ccccc2)c2ccccc2)C1 ZINC000575420075 570307256 /nfs/dbraw/zinc/30/72/56/570307256.db2.gz FHSIOCHJBWKQOJ-HSZRJFAPSA-N 0 0 391.536 4.465 40 0 GIABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000108240218 570312168 /nfs/dbraw/zinc/31/21/68/570312168.db2.gz SFYRLNRYYVSQPV-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(SC(C)C)nc2)cc1 ZINC000072217490 570316237 /nfs/dbraw/zinc/31/62/37/570316237.db2.gz JGMSBSOPTDLYER-GOSISDBHSA-N 0 0 376.547 4.416 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N3CCCC3)nc2C)cc1 ZINC000072218958 570318206 /nfs/dbraw/zinc/31/82/06/570318206.db2.gz YWEQSIXWPXZSLO-OAQYLSRUSA-N 0 0 399.560 4.215 40 0 GIABRN CC(C)c1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)cc1 ZINC000022273252 570329805 /nfs/dbraw/zinc/32/98/05/570329805.db2.gz OBVPEKUWJCHOAG-UHFFFAOYSA-N 0 0 396.512 4.368 40 0 GIABRN Cc1nnc2sc(-c3ccccc3NC(=O)c3cccc(OC(C)C)c3)nn12 ZINC000408573764 570341050 /nfs/dbraw/zinc/34/10/50/570341050.db2.gz OADLBXBPAVKPPI-UHFFFAOYSA-N 0 0 393.472 4.201 40 0 GIABRN Cc1ccc(CSCCNC(=O)COc2ccc(Br)cc2)cc1 ZINC000218813278 570341351 /nfs/dbraw/zinc/34/13/51/570341351.db2.gz YFSGKOOXHPTIQS-UHFFFAOYSA-N 0 0 394.334 4.186 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccc(F)cc1 ZINC000219262766 570350666 /nfs/dbraw/zinc/35/06/66/570350666.db2.gz RKWWFVIFEHEFBX-GOSISDBHSA-N 0 0 389.492 4.486 40 0 GIABRN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccccc1)[C@@H]2NC(=O)c1ccccc1 ZINC000003845967 570351813 /nfs/dbraw/zinc/35/18/13/570351813.db2.gz RVXBNSBZNVTNRD-FIXDAVPBSA-N 0 0 376.500 4.040 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cc(C)cc(C)c3C)n2)c1 ZINC000219304375 570352958 /nfs/dbraw/zinc/35/29/58/570352958.db2.gz UIPYGGGZZVUPAE-GOSISDBHSA-N 0 0 393.487 4.396 40 0 GIABRN CC[C@H](Oc1cccc(C)c1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000219319435 570354377 /nfs/dbraw/zinc/35/43/77/570354377.db2.gz IWIGMXYDMQHVIH-IBGZPJMESA-N 0 0 379.460 4.169 40 0 GIABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219328008 570355140 /nfs/dbraw/zinc/35/51/40/570355140.db2.gz MBNIIVCNQULZRR-MOPGFXCFSA-N 0 0 387.451 4.410 40 0 GIABRN CCn1c(SCC(=O)Nc2ccccc2)nnc1[C@H](C)Oc1ccccc1 ZINC000008090447 570356509 /nfs/dbraw/zinc/35/65/09/570356509.db2.gz GWGIAQDNYVAVSN-HNNXBMFYSA-N 0 0 382.489 4.169 40 0 GIABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(-c2ccccc2)no1 ZINC000219352037 570356572 /nfs/dbraw/zinc/35/65/72/570356572.db2.gz SBVRZSNSNJDLPS-HXUWFJFHSA-N 0 0 387.439 4.364 40 0 GIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219360102 570356813 /nfs/dbraw/zinc/35/68/13/570356813.db2.gz YBKNTIADHQUHBX-UXHICEINSA-N 0 0 399.487 4.280 40 0 GIABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000219375998 570357814 /nfs/dbraw/zinc/35/78/14/570357814.db2.gz PEYPIRGCZVJNBC-IBGZPJMESA-N 0 0 385.504 4.227 40 0 GIABRN COC(=O)c1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 ZINC000408618008 570364771 /nfs/dbraw/zinc/36/47/71/570364771.db2.gz BSFRKKIUTCKNNF-UHFFFAOYSA-N 0 0 398.871 4.407 40 0 GIABRN O=C(NC(=S)Nc1cccc(NC(=O)c2cccs2)c1)c1cccs1 ZINC000408617710 570364805 /nfs/dbraw/zinc/36/48/05/570364805.db2.gz BGMNIUKMNFVNHI-UHFFFAOYSA-N 0 0 387.511 4.189 40 0 GIABRN Fc1ccc(CN(Cc2nnnn2Cc2ccccc2)Cc2ccccc2)cc1 ZINC000057614117 570365972 /nfs/dbraw/zinc/36/59/72/570365972.db2.gz MZMPJFLQCXAEPN-UHFFFAOYSA-N 0 0 387.462 4.063 40 0 GIABRN CC[C@@H](NC(=O)[C@H](CC)Oc1ccccc1OC)c1ccc(OC)c(OC)c1 ZINC000219567737 570368966 /nfs/dbraw/zinc/36/89/66/570368966.db2.gz UCRWTUIDKLBPGO-SJORKVTESA-N 0 0 387.476 4.137 40 0 GIABRN CC[C@H](Oc1ccccc1F)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219581569 570369336 /nfs/dbraw/zinc/36/93/36/570369336.db2.gz ZZPPPSUHHGJIBB-ROUUACIJSA-N 0 0 387.451 4.410 40 0 GIABRN CCc1ccc(-n2nc3ccc(NC(=O)c4cccnc4Cl)cc3n2)cc1 ZINC000408619948 570369350 /nfs/dbraw/zinc/36/93/50/570369350.db2.gz DRPXXYYQAJBPMZ-UHFFFAOYSA-N 0 0 377.835 4.284 40 0 GIABRN CCCCCNC(=O)c1cc2c(nc(SC)nc2N2CCCCC2)s1 ZINC000408617547 570369650 /nfs/dbraw/zinc/36/96/50/570369650.db2.gz COSFTCFLMROYHO-UHFFFAOYSA-N 0 0 378.567 4.324 40 0 GIABRN CCCOc1ccc(C(=O)Nc2ccc(I)cc2F)cc1 ZINC000408621922 570370696 /nfs/dbraw/zinc/37/06/96/570370696.db2.gz MLWYXCWEXIVMOX-UHFFFAOYSA-N 0 0 399.203 4.471 40 0 GIABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2cccc(C)c2)no1 ZINC000219614749 570371391 /nfs/dbraw/zinc/37/13/91/570371391.db2.gz AVTPPQRFRCLCPG-KRWDZBQOSA-N 0 0 385.851 4.172 40 0 GIABRN Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 ZINC000219687870 570373189 /nfs/dbraw/zinc/37/31/89/570373189.db2.gz MWEAXRZMYPUYRY-CABCVRRESA-N 0 0 392.293 4.109 40 0 GIABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2C)cc1 ZINC000408625467 570373733 /nfs/dbraw/zinc/37/37/33/570373733.db2.gz DNVLVYZBGWEFCI-UHFFFAOYSA-N 0 0 377.307 4.447 40 0 GIABRN Cc1c(O)ccc2c(C)c(CCC(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c(=O)oc12 ZINC000012896142 570378208 /nfs/dbraw/zinc/37/82/08/570378208.db2.gz OKXZSMGKPOCNGM-VOIUYBSRSA-N 0 0 397.515 4.475 40 0 GIABRN CCCCOC(=O)CN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O ZINC000006650443 570379408 /nfs/dbraw/zinc/37/94/08/570379408.db2.gz UMTQAPAXGCRLJL-XYOKQWHBSA-N 0 0 388.272 4.373 40 0 GIABRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccccc2O[C@@H](C)CC)C1=O ZINC000006650499 570379448 /nfs/dbraw/zinc/37/94/48/570379448.db2.gz KUJSONCNJWFXTD-IQGJIOQQSA-N 0 0 391.489 4.244 40 0 GIABRN O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(Br)cc1Cl ZINC000408627616 570379932 /nfs/dbraw/zinc/37/99/32/570379932.db2.gz MMLXGVLVKDBUDY-GQCTYLIASA-N 0 0 385.670 4.222 40 0 GIABRN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccco1 ZINC000408627603 570380010 /nfs/dbraw/zinc/38/00/10/570380010.db2.gz MGLDWXDVXFWTJZ-UHFFFAOYSA-N 0 0 393.424 4.223 40 0 GIABRN COc1ccc(OC)c(N(Cc2cccc(C)c2)S(=O)(=O)c2ccccc2)c1 ZINC000408627689 570380213 /nfs/dbraw/zinc/38/02/13/570380213.db2.gz OTPITESLAKXDLI-UHFFFAOYSA-N 0 0 397.496 4.408 40 0 GIABRN Clc1ccc(-c2noc(CSc3nnnn3C3CCCCC3)n2)cc1 ZINC000004619848 570388287 /nfs/dbraw/zinc/38/82/87/570388287.db2.gz PVEVYNNZNCBCRO-UHFFFAOYSA-N 0 0 376.873 4.174 40 0 GIABRN O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1c(Cl)cccc1Cl ZINC000004716456 570397146 /nfs/dbraw/zinc/39/71/46/570397146.db2.gz ICJNMJXXVDHNNC-UHFFFAOYSA-N 0 0 393.116 4.457 40 0 GIABRN O=C(Nc1nc(-c2ccccc2Cl)ns1)C1(C(F)(F)F)CCOCC1 ZINC000685939010 570398397 /nfs/dbraw/zinc/39/83/97/570398397.db2.gz PBHUVFALEODRCF-UHFFFAOYSA-N 0 0 391.802 4.156 40 0 GIABRN O=C(CN1C(=O)COc2ccccc21)Nc1cc(Cl)c(Cl)cc1Cl ZINC000024107244 570400661 /nfs/dbraw/zinc/40/06/61/570400661.db2.gz BTWWEFGQGWNFAZ-UHFFFAOYSA-N 0 0 385.634 4.011 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 ZINC000222410739 570409938 /nfs/dbraw/zinc/40/99/38/570409938.db2.gz PBJMTJNRWDPTBN-NRFANRHFSA-N 0 0 384.495 4.009 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222442319 570410848 /nfs/dbraw/zinc/41/08/48/570410848.db2.gz WHBFRCXOSCXBBU-AWEZNQCLSA-N 0 0 393.314 4.008 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222488319 570412314 /nfs/dbraw/zinc/41/23/14/570412314.db2.gz YHZDJAPASREUII-CQSZACIVSA-N 0 0 393.314 4.008 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc21 ZINC000222485486 570412335 /nfs/dbraw/zinc/41/23/35/570412335.db2.gz VUPZQHGLKHSKMG-IBGZPJMESA-N 0 0 388.511 4.244 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000222505375 570412914 /nfs/dbraw/zinc/41/29/14/570412914.db2.gz OYCJZEPTFYUCFT-QHCPKHFHSA-N 0 0 394.559 4.486 40 0 GIABRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(O)c(Br)c2)S1 ZINC000222581947 570415318 /nfs/dbraw/zinc/41/53/18/570415318.db2.gz BIWQGFPRHSJLBX-GTTSAUCSSA-N 0 0 390.306 4.139 40 0 GIABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCCN1c2ccccc2C[C@@H]1C ZINC000222580549 570415344 /nfs/dbraw/zinc/41/53/44/570415344.db2.gz FUNOFHVAQFHLII-RBUKOAKNSA-N 0 0 392.543 4.290 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000222608836 570416646 /nfs/dbraw/zinc/41/66/46/570416646.db2.gz HTEWNULOAXAXCJ-OAQYLSRUSA-N 0 0 384.495 4.090 40 0 GIABRN O=C(Nc1ccc(Br)cc1F)c1cnc(-c2cccc(F)c2)nc1 ZINC000222622928 570417296 /nfs/dbraw/zinc/41/72/96/570417296.db2.gz LPELUUZBVZHIBA-UHFFFAOYSA-N 0 0 390.187 4.437 40 0 GIABRN O=C(CCc1ccc2c(c1)OCCO2)NCCSCc1ccccc1Cl ZINC000222638263 570417949 /nfs/dbraw/zinc/41/79/49/570417949.db2.gz LLPKWNMGZHNPBF-UHFFFAOYSA-N 0 0 391.920 4.093 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 ZINC000222655518 570418954 /nfs/dbraw/zinc/41/89/54/570418954.db2.gz YNGDSRUILWIUNC-NRFANRHFSA-N 0 0 384.495 4.009 40 0 GIABRN O=C(CCCOc1ccc(Cl)cc1)NCC1(c2ccccc2)CCOCC1 ZINC000222654359 570419012 /nfs/dbraw/zinc/41/90/12/570419012.db2.gz HAPAOORXWVRBRT-UHFFFAOYSA-N 0 0 387.907 4.364 40 0 GIABRN Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1C ZINC000222659161 570419263 /nfs/dbraw/zinc/41/92/63/570419263.db2.gz JYDMERPAVDSCLU-LJQANCHMSA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3Cc3cccnc3)N21 ZINC000222684886 570420801 /nfs/dbraw/zinc/42/08/01/570420801.db2.gz MGGQBKSGUYMUQF-DZFGPLHGSA-N 0 0 389.528 4.306 40 0 GIABRN COc1ccc(Br)cc1C(=O)Nc1ccccc1Br ZINC000005880259 570421923 /nfs/dbraw/zinc/42/19/23/570421923.db2.gz PBRABJZUMRPBEH-UHFFFAOYSA-N 0 0 385.055 4.473 40 0 GIABRN Cc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222745197 570423552 /nfs/dbraw/zinc/42/35/52/570423552.db2.gz MDXVSKCABABDAR-LJQANCHMSA-N 0 0 396.531 4.014 40 0 GIABRN Cc1ccc(CN(C(=O)CSc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222749195 570423814 /nfs/dbraw/zinc/42/38/14/570423814.db2.gz LDQYBFAGEHGKSP-SFHVURJKSA-N 0 0 398.572 4.419 40 0 GIABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C ZINC000222764554 570424755 /nfs/dbraw/zinc/42/47/55/570424755.db2.gz RIHUVHOQGUBADQ-NHCUHLMSSA-N 0 0 376.529 4.400 40 0 GIABRN COc1ccc2c(c1)[C@H](NC(=O)COc1cccc(Cl)c1)CC(C)(C)O2 ZINC000222771120 570424922 /nfs/dbraw/zinc/42/49/22/570424922.db2.gz WOHXXVZHHDIOQS-QGZVFWFLSA-N 0 0 375.852 4.146 40 0 GIABRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)COc1cccc(Cl)c1 ZINC000222772936 570424945 /nfs/dbraw/zinc/42/49/45/570424945.db2.gz WAYCVFBFRVWASD-UHFFFAOYSA-N 0 0 392.242 4.081 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222783619 570425902 /nfs/dbraw/zinc/42/59/02/570425902.db2.gz LLXDWMYPZKYYOR-IBGZPJMESA-N 0 0 380.532 4.178 40 0 GIABRN COc1ccc2cc(S(=O)(=O)NCc3ccc4ccccc4c3)ccc2c1 ZINC000222820613 570427675 /nfs/dbraw/zinc/42/76/75/570427675.db2.gz DYONGTSCZTUZDK-UHFFFAOYSA-N 0 0 377.465 4.480 40 0 GIABRN COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C(C)C ZINC000222820462 570427719 /nfs/dbraw/zinc/42/77/19/570427719.db2.gz KUHNTOUCEFGLBJ-NHCUHLMSSA-N 0 0 392.528 4.262 40 0 GIABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000222824730 570427927 /nfs/dbraw/zinc/42/79/27/570427927.db2.gz RDOAZAUHCHRXFZ-INIZCTEOSA-N 0 0 386.923 4.215 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000007495767 570427917 /nfs/dbraw/zinc/42/79/17/570427917.db2.gz QUODIUNLMZPTER-OAQYLSRUSA-N 0 0 386.923 4.463 40 0 GIABRN Cc1cccc(OCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1C ZINC000222823219 570427935 /nfs/dbraw/zinc/42/79/35/570427935.db2.gz AMPNIPMSKBCUCU-UHFFFAOYSA-N 0 0 385.851 4.044 40 0 GIABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000007504850 570428212 /nfs/dbraw/zinc/42/82/12/570428212.db2.gz HHXATEVNBKKWNS-UHFFFAOYSA-N 0 0 384.785 4.448 40 0 GIABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F ZINC000222840442 570428414 /nfs/dbraw/zinc/42/84/14/570428414.db2.gz WBCZZZNUXTYNGA-PMACEKPBSA-N 0 0 380.492 4.392 40 0 GIABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 ZINC000222840769 570428466 /nfs/dbraw/zinc/42/84/66/570428466.db2.gz VTDNVYYKXONWTG-UXHICEINSA-N 0 0 380.492 4.392 40 0 GIABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 ZINC000222840983 570428489 /nfs/dbraw/zinc/42/84/89/570428489.db2.gz VLSZSVXGLNQSBP-PMACEKPBSA-N 0 0 380.492 4.392 40 0 GIABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000222844453 570428657 /nfs/dbraw/zinc/42/86/57/570428657.db2.gz PZWGLIHYPACUTF-OALUTQOASA-N 0 0 397.935 4.302 40 0 GIABRN CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 ZINC000222881266 570429846 /nfs/dbraw/zinc/42/98/46/570429846.db2.gz PUHRPXIBBVKUDM-OAQYLSRUSA-N 0 0 380.488 4.281 40 0 GIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000222906902 570430824 /nfs/dbraw/zinc/43/08/24/570430824.db2.gz HXGDLTYAPULSMQ-HNNXBMFYSA-N 0 0 390.886 4.313 40 0 GIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000222907255 570430917 /nfs/dbraw/zinc/43/09/17/570430917.db2.gz HXGDLTYAPULSMQ-OAHLLOKOSA-N 0 0 390.886 4.313 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000222929256 570431727 /nfs/dbraw/zinc/43/17/27/570431727.db2.gz JRRSCZXUNKLSDL-QHCPKHFHSA-N 0 0 394.559 4.302 40 0 GIABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cn1 ZINC000222953489 570432895 /nfs/dbraw/zinc/43/28/95/570432895.db2.gz XEBZIWOXEQWURE-RTWAWAEBSA-N 0 0 391.544 4.348 40 0 GIABRN C[C@@H]1Cc2cc(Br)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000222985140 570435179 /nfs/dbraw/zinc/43/51/79/570435179.db2.gz AANFXENUBZRVHA-SNVBAGLBSA-N 0 0 386.698 4.242 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000222986302 570435206 /nfs/dbraw/zinc/43/52/06/570435206.db2.gz JOJGSWGRVNAXDK-FQEVSTJZSA-N 0 0 380.532 4.180 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 ZINC000223001421 570436339 /nfs/dbraw/zinc/43/63/39/570436339.db2.gz ZNEDBXPRPOQXHL-QFIPXVFZSA-N 0 0 396.531 4.051 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000223012421 570437187 /nfs/dbraw/zinc/43/71/87/570437187.db2.gz AOVWVSHUFYIVRE-OAQYLSRUSA-N 0 0 386.923 4.150 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 ZINC000223029755 570438663 /nfs/dbraw/zinc/43/86/63/570438663.db2.gz FLRDSSHGEDPCBX-NRFANRHFSA-N 0 0 394.559 4.488 40 0 GIABRN COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccc(C)cc3C)o2)c1 ZINC000005435535 570439427 /nfs/dbraw/zinc/43/94/27/570439427.db2.gz UUBIKEOWDKNHRS-UHFFFAOYSA-N 0 0 399.472 4.101 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 ZINC000223048476 570439755 /nfs/dbraw/zinc/43/97/55/570439755.db2.gz GXAFBYLCDQPXJD-OAQYLSRUSA-N 0 0 398.572 4.172 40 0 GIABRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)C(C)C ZINC000223057643 570440665 /nfs/dbraw/zinc/44/06/65/570440665.db2.gz LDKLOYJCZUOERO-JOCHJYFZSA-N 0 0 380.532 4.055 40 0 GIABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 ZINC000223062679 570441232 /nfs/dbraw/zinc/44/12/32/570441232.db2.gz ICLNQRQKWCUBHP-SFTDATJTSA-N 0 0 398.576 4.397 40 0 GIABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 ZINC000223075484 570441704 /nfs/dbraw/zinc/44/17/04/570441704.db2.gz VWXSGIOGDZDDDU-UXHICEINSA-N 0 0 384.549 4.007 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1 ZINC000223090691 570442460 /nfs/dbraw/zinc/44/24/60/570442460.db2.gz FWRGFHQXWHEYGU-QZTJIDSGSA-N 0 0 384.495 4.090 40 0 GIABRN O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(CN2CCCC2=O)cc1 ZINC000124935480 570444673 /nfs/dbraw/zinc/44/46/73/570444673.db2.gz YZHXUPCRXGQINM-UHFFFAOYSA-N 0 0 398.462 4.292 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c(C)c1C ZINC000223127704 570444968 /nfs/dbraw/zinc/44/49/68/570444968.db2.gz AJHHSBBZFIJBQI-KRWDZBQOSA-N 0 0 389.517 4.201 40 0 GIABRN O=C(CSCc1ccc(Cl)cc1F)NCc1nc(-c2cccs2)no1 ZINC000223126645 570445224 /nfs/dbraw/zinc/44/52/24/570445224.db2.gz YCYCBGXTQMXZFQ-UHFFFAOYSA-N 0 0 397.884 4.140 40 0 GIABRN CC1(C)CC(=O)[C@@H]2C(c3ccc4c(c3)OCO4)[C@H]3C(=O)CC(C)(C)C[C@@H]3O[C@H]2C1 ZINC000005551842 570445345 /nfs/dbraw/zinc/44/53/45/570445345.db2.gz VZSHNZIJGWRJFJ-LGGPRVQUSA-N 0 0 398.499 4.277 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223129004 570445549 /nfs/dbraw/zinc/44/55/49/570445549.db2.gz AIDORHWCYVGNKB-OAQYLSRUSA-N 0 0 394.559 4.488 40 0 GIABRN COc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1 ZINC000005598844 570448183 /nfs/dbraw/zinc/44/81/83/570448183.db2.gz JXMVRQYAHDHPDF-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN Cc1ccc(NC(=O)Cc2sc(Nc3ccc(Cl)cc3)nc2O)cc1C ZINC000005722472 570453139 /nfs/dbraw/zinc/45/31/39/570453139.db2.gz ACQSRWGWHHIWSG-MRXNPFEDSA-N 0 0 387.892 4.396 40 0 GIABRN O=C(NC1C2CC3CC(C2)CC1C3)/C(Cl)=C1/Sc2ccccc2NC1=O ZINC000005722666 570453148 /nfs/dbraw/zinc/45/31/48/570453148.db2.gz VSRUGCAIVWHLGG-VLGSPTGOSA-N 0 0 388.920 4.122 40 0 GIABRN COc1ccc(C(=O)CSc2nc(C)cc(-c3ccc(OC)cc3)n2)cc1 ZINC000005744139 570454974 /nfs/dbraw/zinc/45/49/74/570454974.db2.gz BFNODZHPQZKOJH-UHFFFAOYSA-N 0 0 380.469 4.444 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCSCc2cccc(Cl)c2)c(C)c1 ZINC000223285213 570456375 /nfs/dbraw/zinc/45/63/75/570456375.db2.gz AOXQKJAGKCZVKE-UHFFFAOYSA-N 0 0 399.965 4.177 40 0 GIABRN COc1cc2c(cc1S(=O)(=O)N1CCC(Cc3ccccc3)CC1)CCCC2 ZINC000223297250 570456638 /nfs/dbraw/zinc/45/66/38/570456638.db2.gz GTLUDZRNGFLQRQ-UHFFFAOYSA-N 0 0 399.556 4.217 40 0 GIABRN C[C@H](CNC(=O)COc1ccc(Br)cc1Cl)c1ccccc1 ZINC000005829505 570458429 /nfs/dbraw/zinc/45/84/29/570458429.db2.gz GLUGYNJBSHGZLH-GFCCVEGCSA-N 0 0 382.685 4.401 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1C[C@@H]1CCCO1 ZINC000223326662 570458531 /nfs/dbraw/zinc/45/85/31/570458531.db2.gz QBWXCYYFNXVURZ-SESVDKBCSA-N 0 0 396.560 4.150 40 0 GIABRN CC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCc1ccccc1)c1ccccc1 ZINC000223334985 570459172 /nfs/dbraw/zinc/45/91/72/570459172.db2.gz CWASNOIXUMFTMT-DEOSSOPVSA-N 0 0 386.495 4.135 40 0 GIABRN COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2C)ccc1O ZINC000226421099 570460729 /nfs/dbraw/zinc/46/07/29/570460729.db2.gz JEKYBNHMSILYQO-BPUDTRNYSA-N 0 0 395.499 4.218 40 0 GIABRN Cc1ccc(SCCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000026407151 570464123 /nfs/dbraw/zinc/46/41/23/570464123.db2.gz IBMQOTZHECSSBR-KRWDZBQOSA-N 0 0 398.528 4.025 40 0 GIABRN COc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1Br ZINC000006090821 570466333 /nfs/dbraw/zinc/46/63/33/570466333.db2.gz KQJKXOIKEDZODA-UHFFFAOYSA-N 0 0 381.226 4.459 40 0 GIABRN Cc1ccc([C@@H](OC(=O)C2=Cc3ccccc3OC2)C(=O)NC2CCCC2)cc1 ZINC000035312476 570467515 /nfs/dbraw/zinc/46/75/15/570467515.db2.gz KHXXIMDXHCRYBU-JOCHJYFZSA-N 0 0 391.467 4.114 40 0 GIABRN O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)OCc1ccccc1 ZINC000035313124 570467677 /nfs/dbraw/zinc/46/76/77/570467677.db2.gz ZANSYKJYGRMDOW-UHFFFAOYSA-N 0 0 395.440 4.015 40 0 GIABRN CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1 ZINC000223486162 570468329 /nfs/dbraw/zinc/46/83/29/570468329.db2.gz QCIUNLFFZFWDSK-PMACEKPBSA-N 0 0 377.517 4.032 40 0 GIABRN CC1=Nc2nc3ccccc3n2[C@@H](c2cccnc2)C1C(=O)OCc1ccccc1 ZINC000035315879 570469990 /nfs/dbraw/zinc/46/99/90/570469990.db2.gz FJHABGXFYSGEIX-QFIPXVFZSA-N 0 0 396.450 4.464 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1cccc(C)c1 ZINC000223590192 570473278 /nfs/dbraw/zinc/47/32/78/570473278.db2.gz NOBOMLYTRNZUEN-LJQANCHMSA-N 0 0 398.572 4.090 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NC(C)(C)Cc2ccccc2)cc1C(C)C ZINC000223624026 570475048 /nfs/dbraw/zinc/47/50/48/570475048.db2.gz KVIOKZMMENLXSI-UHFFFAOYSA-N 0 0 375.534 4.427 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C ZINC000223635897 570475958 /nfs/dbraw/zinc/47/59/58/570475958.db2.gz QZZFMHGFSUMPPX-LJQANCHMSA-N 0 0 396.531 4.051 40 0 GIABRN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(F)c3)C(=O)[C@@H]12 ZINC000000777863 570478857 /nfs/dbraw/zinc/47/88/57/570478857.db2.gz YMZFIVUOLLUHHE-YCIYHOANSA-N 0 0 383.422 4.396 40 0 GIABRN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1Cl ZINC000000781473 570480146 /nfs/dbraw/zinc/48/01/46/570480146.db2.gz MWSZUKAKMYRTLW-UHFFFAOYSA-N 0 0 386.908 4.273 40 0 GIABRN CCC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223706540 570480233 /nfs/dbraw/zinc/48/02/33/570480233.db2.gz UOWWSPJCGGXUEC-UTKZUKDTSA-N 0 0 384.495 4.090 40 0 GIABRN Cc1cccc(OCc2nnc(SCC(=O)OC(C)C)n2-c2ccccc2)c1 ZINC000000781468 570480396 /nfs/dbraw/zinc/48/03/96/570480396.db2.gz BMQIBXYQFIGILX-UHFFFAOYSA-N 0 0 397.500 4.198 40 0 GIABRN CC(C)COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1 ZINC000006563768 570483565 /nfs/dbraw/zinc/48/35/65/570483565.db2.gz MQRSFXGALXXCKG-UHFFFAOYSA-N 0 0 397.544 4.448 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223784366 570484276 /nfs/dbraw/zinc/48/42/76/570484276.db2.gz DOWVVKHHXMKVLU-FQEVSTJZSA-N 0 0 392.543 4.322 40 0 GIABRN COC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2Cl)ccc1Cl ZINC000223831329 570486255 /nfs/dbraw/zinc/48/62/55/570486255.db2.gz LXVUELNGNKVMLF-UHFFFAOYSA-N 0 0 394.663 4.234 40 0 GIABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)cc1 ZINC000223838867 570486515 /nfs/dbraw/zinc/48/65/15/570486515.db2.gz PNOMUCFMTPCWBK-VQTJNVASSA-N 0 0 378.501 4.294 40 0 GIABRN C[C@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000223840374 570486650 /nfs/dbraw/zinc/48/66/50/570486650.db2.gz DXPXRXIMKQACJO-WASCAKKMSA-N 0 0 395.480 4.101 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCc2ccccc21 ZINC000223855212 570487607 /nfs/dbraw/zinc/48/76/07/570487607.db2.gz WSLAEVDFQWBPLH-DEOSSOPVSA-N 0 0 392.543 4.292 40 0 GIABRN CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 ZINC000223866101 570487959 /nfs/dbraw/zinc/48/79/59/570487959.db2.gz PBPWTORVMCJVPD-WOJBJXKFSA-N 0 0 378.501 4.347 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(CC)cc1 ZINC000223880419 570488452 /nfs/dbraw/zinc/48/84/52/570488452.db2.gz GYMYSPMNSYAWTJ-GOSISDBHSA-N 0 0 398.522 4.264 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 ZINC000223921700 570490171 /nfs/dbraw/zinc/49/01/71/570490171.db2.gz QTGRPJDKJBLPSM-AWEZNQCLSA-N 0 0 393.314 4.089 40 0 GIABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccs2)cc1 ZINC000223958989 570491760 /nfs/dbraw/zinc/49/17/60/570491760.db2.gz OJKVGLOOPAUVQO-RBUKOAKNSA-N 0 0 394.525 4.279 40 0 GIABRN Cc1cc(NC(=O)COc2ccc3c(c2)CCCC3)ccc1N1CCCC1=O ZINC000223987120 570492680 /nfs/dbraw/zinc/49/26/80/570492680.db2.gz ALYQLEFGWIJHEJ-UHFFFAOYSA-N 0 0 378.472 4.018 40 0 GIABRN Cc1cc2sc(NC(=S)NC(=O)COc3ccccc3)nc2cc1Cl ZINC000006826392 570496295 /nfs/dbraw/zinc/49/62/95/570496295.db2.gz LFCBGHGTKGKWAQ-UHFFFAOYSA-N 0 0 391.905 4.150 40 0 GIABRN COc1ccc(NC(=O)c2ccccc2Br)cc1Br ZINC000006846968 570496726 /nfs/dbraw/zinc/49/67/26/570496726.db2.gz JSOLXRRYWUGQCC-UHFFFAOYSA-N 0 0 385.055 4.473 40 0 GIABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1 ZINC000224076651 570497193 /nfs/dbraw/zinc/49/71/93/570497193.db2.gz GKDKNWJMXIKSKL-IBGZPJMESA-N 0 0 398.572 4.109 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1F ZINC000224075266 570497283 /nfs/dbraw/zinc/49/72/83/570497283.db2.gz RZWMHPFCUBQSHX-QFIPXVFZSA-N 0 0 398.522 4.134 40 0 GIABRN CCN(CC(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000006891295 570498736 /nfs/dbraw/zinc/49/87/36/570498736.db2.gz XGPUAECOMCHIEN-UHFFFAOYSA-N 0 0 396.512 4.106 40 0 GIABRN Cc1ccc(C)c(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224103695 570498760 /nfs/dbraw/zinc/49/87/60/570498760.db2.gz LTKJWOZNJSKMFG-FQEVSTJZSA-N 0 0 380.532 4.035 40 0 GIABRN Cc1ccc(Cl)cc1N1CCN(C(=O)CSCc2ccc(F)cc2)CC1 ZINC000006920054 570499083 /nfs/dbraw/zinc/49/90/83/570499083.db2.gz MLMWZJMFBRUTDT-UHFFFAOYSA-N 0 0 392.927 4.370 40 0 GIABRN Cc1ccccc1CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC1CCCC1 ZINC000224112184 570499403 /nfs/dbraw/zinc/49/94/03/570499403.db2.gz CVRXJOIGVDASQX-HXUWFJFHSA-N 0 0 392.543 4.056 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 ZINC000224121568 570499842 /nfs/dbraw/zinc/49/98/42/570499842.db2.gz YPDSWWYPFRXCIK-JOCHJYFZSA-N 0 0 396.531 4.098 40 0 GIABRN CC(C)c1ccccc1NC(=O)COc1ccc(I)cc1 ZINC000007034775 570500104 /nfs/dbraw/zinc/50/01/04/570500104.db2.gz SBEFNHFIFHGZTK-UHFFFAOYSA-N 0 0 395.240 4.432 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 ZINC000224138234 570500506 /nfs/dbraw/zinc/50/05/06/570500506.db2.gz VOTUWADOMRUQHB-NRFANRHFSA-N 0 0 398.572 4.421 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccn2)N1c1ccccc1 ZINC000224153854 570501143 /nfs/dbraw/zinc/50/11/43/570501143.db2.gz GEMMCZOCYCTSJE-FGZHOGPDSA-N 0 0 397.507 4.444 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C ZINC000224172786 570502245 /nfs/dbraw/zinc/50/22/45/570502245.db2.gz KMSFDWOHXQHNDP-QFIPXVFZSA-N 0 0 380.532 4.098 40 0 GIABRN CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3-c3ccccc3)ccc21 ZINC000007323495 570502936 /nfs/dbraw/zinc/50/29/36/570502936.db2.gz CFSIINGTFIZINJ-UHFFFAOYSA-N 0 0 392.480 4.063 40 0 GIABRN CCC(=O)Nc1sc(C(=O)Nc2cccc(Cl)c2)c(C)c1C(=O)OC ZINC000000872030 570502921 /nfs/dbraw/zinc/50/29/21/570502921.db2.gz BJZSVYDZANKMCS-UHFFFAOYSA-N 0 0 380.853 4.097 40 0 GIABRN Cc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)c(C)c2)c1 ZINC000224188453 570503035 /nfs/dbraw/zinc/50/30/35/570503035.db2.gz LXBKACMBBCGCGM-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN CCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000224241631 570505182 /nfs/dbraw/zinc/50/51/82/570505182.db2.gz OAYUOUOIMKPORN-UHFFFAOYSA-N 0 0 394.924 4.003 40 0 GIABRN Cc1cc2cc(CN(C(=S)NCC(C)C)C3CCCC3)c(=O)[nH]c2cc1C ZINC000000879009 570505553 /nfs/dbraw/zinc/50/55/53/570505553.db2.gz UKWIUBPLBMEBMA-UHFFFAOYSA-N 0 0 385.577 4.420 40 0 GIABRN CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1NC(=O)C(C)C ZINC000224254909 570506034 /nfs/dbraw/zinc/50/60/34/570506034.db2.gz YLGABEABXJAZRJ-AWEZNQCLSA-N 0 0 392.546 4.043 40 0 GIABRN COc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1cc(C)cc(C)c1C ZINC000224275337 570507113 /nfs/dbraw/zinc/50/71/13/570507113.db2.gz OEIGHHCNXKMUIM-HXUWFJFHSA-N 0 0 383.488 4.108 40 0 GIABRN COc1ccc(C(=O)NCc2nc3ccccc3n2CCC(C)C)cc1OC ZINC000007545230 570508256 /nfs/dbraw/zinc/50/82/56/570508256.db2.gz DBBWWUKZXJFLAW-UHFFFAOYSA-N 0 0 381.476 4.030 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000224302569 570508296 /nfs/dbraw/zinc/50/82/96/570508296.db2.gz DCNKNQBBQIXNRI-FQEVSTJZSA-N 0 0 386.923 4.134 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c(C)c1 ZINC000224320725 570508964 /nfs/dbraw/zinc/50/89/64/570508964.db2.gz UCUMVCWMMQBSIJ-MRXNPFEDSA-N 0 0 381.472 4.457 40 0 GIABRN Cc1cccc2cc(CN(Cc3cccs3)C(=S)NCC(C)C)c(=O)[nH]c12 ZINC000000884525 570509123 /nfs/dbraw/zinc/50/91/23/570509123.db2.gz GRQITSDHKOYRCM-UHFFFAOYSA-N 0 0 399.585 4.431 40 0 GIABRN COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COCc1ccccc1 ZINC000224352768 570510174 /nfs/dbraw/zinc/51/01/74/570510174.db2.gz HFNQVTDFYYGNBE-UHFFFAOYSA-N 0 0 391.423 4.393 40 0 GIABRN CCOc1ccc(C(=O)NCCCc2ccc(OC)c(OC)c2)cc1Cl ZINC000224355299 570510423 /nfs/dbraw/zinc/51/04/23/570510423.db2.gz DTAIVWHMKIOZOT-UHFFFAOYSA-N 0 0 377.868 4.119 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 ZINC000224379167 570511263 /nfs/dbraw/zinc/51/12/63/570511263.db2.gz IAIUCPMWCNHXOR-OAQYLSRUSA-N 0 0 384.495 4.010 40 0 GIABRN NC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 ZINC000007687246 570512347 /nfs/dbraw/zinc/51/23/47/570512347.db2.gz ZYPPVTLUYCJHMN-UHFFFAOYSA-N 0 0 380.831 4.270 40 0 GIABRN Cc1cccc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000224404859 570512437 /nfs/dbraw/zinc/51/24/37/570512437.db2.gz PHHDABKECLNRNM-UHFFFAOYSA-N 0 0 394.496 4.068 40 0 GIABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C ZINC000224429415 570513138 /nfs/dbraw/zinc/51/31/38/570513138.db2.gz RRVMOGHZRXKNAJ-WOJBJXKFSA-N 0 0 380.492 4.353 40 0 GIABRN O=C(/C=C/c1ccccc1)Oc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000027563670 570513569 /nfs/dbraw/zinc/51/35/69/570513569.db2.gz DLRMBMFKJPSJEB-NTCAYCPXSA-N 0 0 397.430 4.144 40 0 GIABRN O=C(CSc1nnc(-c2ccccc2)n1-c1cccc(Cl)c1)N1CCCC1 ZINC000000899846 570513722 /nfs/dbraw/zinc/51/37/22/570513722.db2.gz JYMWDUMPHUZYBT-UHFFFAOYSA-N 0 0 398.919 4.302 40 0 GIABRN COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccccc3Cl)n2)cc1 ZINC000007759879 570514961 /nfs/dbraw/zinc/51/49/61/570514961.db2.gz VLKHCMYQNREMOG-FMIVXFBMSA-N 0 0 383.835 4.070 40 0 GIABRN Cc1ccc(OCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1C ZINC000224481699 570515284 /nfs/dbraw/zinc/51/52/84/570515284.db2.gz HOQBWEVUGKBPHT-UHFFFAOYSA-N 0 0 397.496 4.453 40 0 GIABRN CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(O)cc1 ZINC000000907347 570517199 /nfs/dbraw/zinc/51/71/99/570517199.db2.gz WBJBTONMUAVQRQ-UHFFFAOYSA-N 0 0 388.880 4.055 40 0 GIABRN CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1cccc(OC)c1 ZINC000224549335 570517868 /nfs/dbraw/zinc/51/78/68/570517868.db2.gz SYAJBQATUOVEPT-UXHICEINSA-N 0 0 378.501 4.089 40 0 GIABRN CCCCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000007842614 570518202 /nfs/dbraw/zinc/51/82/02/570518202.db2.gz LNMUUWKXUDGODV-UHFFFAOYSA-N 0 0 386.517 4.066 40 0 GIABRN CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCSc1ccccc1 ZINC000224596143 570519861 /nfs/dbraw/zinc/51/98/61/570519861.db2.gz MFGKUQQMXIFLPZ-NRFANRHFSA-N 0 0 398.572 4.155 40 0 GIABRN CCc1ccc(CC)c(CNS(=O)(=O)Cc2ccc(Br)cc2)c1 ZINC000224619732 570520872 /nfs/dbraw/zinc/52/08/72/570520872.db2.gz LCLBIOWXUYFYLQ-UHFFFAOYSA-N 0 0 396.350 4.194 40 0 GIABRN CCOc1ccc(C(=O)N2CCOCC2)cc1COc1ccc2ccccc2c1 ZINC000224644694 570522462 /nfs/dbraw/zinc/52/24/62/570522462.db2.gz UYGPOKDHQSNNOX-UHFFFAOYSA-N 0 0 391.467 4.290 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 ZINC000224668305 570523458 /nfs/dbraw/zinc/52/34/58/570523458.db2.gz UOXLZHPAUQQPGL-IBGZPJMESA-N 0 0 398.572 4.339 40 0 GIABRN CCOc1ccc(C(=O)Nc2ccc3sc(C(=O)OC)cc3c2)cc1COC ZINC000224691181 570524799 /nfs/dbraw/zinc/52/47/99/570524799.db2.gz YAURKNXRMXUOIX-UHFFFAOYSA-N 0 0 399.468 4.485 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 ZINC000224690648 570524962 /nfs/dbraw/zinc/52/49/62/570524962.db2.gz WITFXYJQDAQXGW-KRWDZBQOSA-N 0 0 386.923 4.134 40 0 GIABRN COc1ccc(OC)c([C@@H](C)NC(=O)CSCc2cccc(Cl)c2)c1 ZINC000008355873 570529265 /nfs/dbraw/zinc/52/92/65/570529265.db2.gz UABFENDHCOTFCA-CYBMUJFWSA-N 0 0 379.909 4.468 40 0 GIABRN CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1NC(C)=O ZINC000224783126 570530828 /nfs/dbraw/zinc/53/08/28/570530828.db2.gz SHLKFTHPOITWRS-UHFFFAOYSA-N 0 0 384.910 4.130 40 0 GIABRN CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000224800971 570531405 /nfs/dbraw/zinc/53/14/05/570531405.db2.gz FNAGWUADGHLMTJ-UHFFFAOYSA-N 0 0 390.288 4.226 40 0 GIABRN CC(C)c1ccccc1N(CCCC(=O)NCC1CCCCC1)S(C)(=O)=O ZINC000224840385 570533403 /nfs/dbraw/zinc/53/34/03/570533403.db2.gz DQSQUHSOGUSLTN-UHFFFAOYSA-N 0 0 394.581 4.053 40 0 GIABRN O=C(NCc1ccccc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000000918478 570534655 /nfs/dbraw/zinc/53/46/55/570534655.db2.gz RDUJPXFLUNCDIC-XJKSGUPXSA-N 0 0 390.365 4.066 40 0 GIABRN CCc1ccccc1N(CC)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000224875461 570535549 /nfs/dbraw/zinc/53/55/49/570535549.db2.gz RJAYQVNATNRYTP-UHFFFAOYSA-N 0 0 398.322 4.235 40 0 GIABRN CCOC(=O)C1=C(N)OC2=C(COC(C)=C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000001104377 570537520 /nfs/dbraw/zinc/53/75/20/570537520.db2.gz YNOCNLSQOCGWLZ-HNNXBMFYSA-N 0 0 382.243 4.029 40 0 GIABRN O=C(Nc1nccs1)[C@@H]1CC=CC[C@@H]1C(=O)OCC(Cl)=C(Cl)Cl ZINC000001085130 570537534 /nfs/dbraw/zinc/53/75/34/570537534.db2.gz FTZBWFSPMTXZTL-BDAKNGLRSA-N 0 0 395.695 4.093 40 0 GIABRN CC[C@H]1CCCCN1C(=O)CSc1nc2cc3c(cc2cc1C)OCCO3 ZINC000000928333 570538763 /nfs/dbraw/zinc/53/87/63/570538763.db2.gz XFFIHZXHLOFYFW-INIZCTEOSA-N 0 0 386.517 4.198 40 0 GIABRN COc1ccc2c(cc(C)c3nnc(SCC(=O)N4[C@@H](C)CCC[C@@H]4C)n32)c1 ZINC000000928492 570538836 /nfs/dbraw/zinc/53/88/36/570538836.db2.gz LVWLMARHOBDLCB-GJZGRUSLSA-N 0 0 398.532 4.081 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSc1ccccc1 ZINC000224974619 570541037 /nfs/dbraw/zinc/54/10/37/570541037.db2.gz GDFPULZAMUWDIT-ROUUACIJSA-N 0 0 384.545 4.111 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 ZINC000225038158 570544500 /nfs/dbraw/zinc/54/45/00/570544500.db2.gz PVFCBHARKZKSCI-LEWJYISDSA-N 0 0 394.559 4.486 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1 ZINC000225049254 570545395 /nfs/dbraw/zinc/54/53/95/570545395.db2.gz NQVHHSYLCLGEEL-VQTJNVASSA-N 0 0 396.531 4.014 40 0 GIABRN Cc1cccc(NC(=O)CSc2nnc3c4cc(C)cc(C)c4[nH]c3n2)c1 ZINC000000976209 570545459 /nfs/dbraw/zinc/54/54/59/570545459.db2.gz QDEJHDJCVGHAOE-UHFFFAOYSA-N 0 0 377.473 4.162 40 0 GIABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)c1 ZINC000225068056 570546504 /nfs/dbraw/zinc/54/65/04/570546504.db2.gz DPZCXYUPYCAHSB-CQSZACIVSA-N 0 0 384.501 4.438 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1 ZINC000225089468 570547849 /nfs/dbraw/zinc/54/78/49/570547849.db2.gz OBDPSPIINPVLAP-VQTJNVASSA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 ZINC000225094354 570548458 /nfs/dbraw/zinc/54/84/58/570548458.db2.gz UOAWSMUEMVBEPS-RBUKOAKNSA-N 0 0 398.572 4.419 40 0 GIABRN Cc1ccccc1-c1nnc2s/c(=C\c3ccc(-c4ccccc4)cc3)c(=O)n21 ZINC000009187896 570550879 /nfs/dbraw/zinc/55/08/79/570550879.db2.gz DQLVAGCAYXLYSG-QNGOZBTKSA-N 0 0 395.487 4.341 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 ZINC000225127349 570551156 /nfs/dbraw/zinc/55/11/56/570551156.db2.gz JFVGTAGCYGIGDQ-JOCHJYFZSA-N 0 0 380.532 4.180 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225132615 570551518 /nfs/dbraw/zinc/55/15/18/570551518.db2.gz AKUIZUYFHQKZRK-RTWAWAEBSA-N 0 0 394.559 4.486 40 0 GIABRN O=C([O-])c1ccccc1-c1ccccc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000035313313 570551613 /nfs/dbraw/zinc/55/16/13/570551613.db2.gz DHVJCOVLDVSSER-UHFFFAOYSA-N 0 0 392.499 4.142 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1 ZINC000225137838 570551720 /nfs/dbraw/zinc/55/17/20/570551720.db2.gz WQCFZMXPCSAXGM-KRWDZBQOSA-N 0 0 386.923 4.216 40 0 GIABRN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC[C@H](C)c2ccccc2)cc1 ZINC000225139312 570551956 /nfs/dbraw/zinc/55/19/56/570551956.db2.gz XYOMWLZSVWUURN-CEZZIEKDSA-N 0 0 388.467 4.279 40 0 GIABRN COc1cc(C)c(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C ZINC000225174923 570553675 /nfs/dbraw/zinc/55/36/75/570553675.db2.gz TYNNERVKHGENPV-UHFFFAOYSA-N 0 0 382.485 4.099 40 0 GIABRN CCc1nc2sc([C@@H](c3cccc(C)c3)[NH+]3C[C@@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000036104840 570554611 /nfs/dbraw/zinc/55/46/11/570554611.db2.gz UGTOHIBDPOHLSZ-RLFYNMQTSA-N 0 0 384.549 4.435 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1C ZINC000225199980 570555120 /nfs/dbraw/zinc/55/51/20/570555120.db2.gz FDRCMTLPFHKAPA-GOSISDBHSA-N 0 0 384.495 4.010 40 0 GIABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)C(C)C)ccc2C)c1 ZINC000225200246 570555714 /nfs/dbraw/zinc/55/57/14/570555714.db2.gz HOWWGJOOJMTXGN-KRWDZBQOSA-N 0 0 388.533 4.187 40 0 GIABRN Cc1ccc(CNC(=S)Nc2nc(C)cc(Nc3ccc(F)cc3)n2)cc1 ZINC000225203787 570556219 /nfs/dbraw/zinc/55/62/19/570556219.db2.gz NTSOGABQHQNWJU-UHFFFAOYSA-N 0 0 381.480 4.463 40 0 GIABRN Cc1ccnc(NC(=S)NCCCNc2ccnc3cc(Cl)ccc32)c1 ZINC000225227583 570557510 /nfs/dbraw/zinc/55/75/10/570557510.db2.gz WGUDWKSKIOPGFN-UHFFFAOYSA-N 0 0 385.924 4.380 40 0 GIABRN COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000225243665 570558889 /nfs/dbraw/zinc/55/88/89/570558889.db2.gz ZESHEKNNVOLVPA-QGZVFWFLSA-N 0 0 397.924 4.423 40 0 GIABRN COc1ccc(Nc2nc(/C=C3\SCCN3C(=O)C(C)C)cs2)cc1 ZINC000225251840 570559465 /nfs/dbraw/zinc/55/94/65/570559465.db2.gz AGLUJNNBZXVGJE-MHWRWJLKSA-N 0 0 375.519 4.425 40 0 GIABRN COc1ccc(C(=O)N2CCS/C2=C\c2csc(-c3cccnc3)n2)cc1 ZINC000225261707 570559633 /nfs/dbraw/zinc/55/96/33/570559633.db2.gz JANFVSHEHVCXLZ-WOJGMQOQSA-N 0 0 395.509 4.401 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 ZINC000225271134 570561160 /nfs/dbraw/zinc/56/11/60/570561160.db2.gz SNUCUURQLLLPAH-QFIPXVFZSA-N 0 0 398.522 4.400 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 ZINC000225281075 570561795 /nfs/dbraw/zinc/56/17/95/570561795.db2.gz TTWPELIJLANVPP-NRFANRHFSA-N 0 0 384.495 4.010 40 0 GIABRN O=C([C@@H]1COc2ccccc2O1)N(Cc1ccco1)Cc1ccccc1Cl ZINC000028405146 570562049 /nfs/dbraw/zinc/56/20/49/570562049.db2.gz QYBXJTDYWSKIGB-FQEVSTJZSA-N 0 0 383.831 4.302 40 0 GIABRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCC ZINC000225288180 570562265 /nfs/dbraw/zinc/56/22/65/570562265.db2.gz KMDHEBAZDMNAAQ-JOCHJYFZSA-N 0 0 380.532 4.343 40 0 GIABRN Cc1[nH]c2ccc(-c3nnc(SCC(=O)N4CCC(C)CC4)o3)cc2c1C ZINC000001223310 570564973 /nfs/dbraw/zinc/56/49/73/570564973.db2.gz ZPAKMNJXUPTIIC-UHFFFAOYSA-N 0 0 384.505 4.185 40 0 GIABRN CC(C)(C)[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(N)=O)c32)C1 ZINC000001326322 570566813 /nfs/dbraw/zinc/56/68/13/570566813.db2.gz JFBTUTLHWCNQGS-LLVKDONJSA-N 0 0 375.563 4.297 40 0 GIABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1ccccc1F ZINC000010282490 570567645 /nfs/dbraw/zinc/56/76/45/570567645.db2.gz MZINXRRIWKPHRV-IBGZPJMESA-N 0 0 377.481 4.041 40 0 GIABRN COc1ccccc1NC(=O)CSc1ccc(-c2nc3ccccc3[nH]2)cn1 ZINC000001329645 570567736 /nfs/dbraw/zinc/56/77/36/570567736.db2.gz ZARXRUBMSNHVDA-UHFFFAOYSA-N 0 0 390.468 4.364 40 0 GIABRN O=C(c1ccc(NC(=S)NCCCc2ccccc2)cc1)N1CCCCC1 ZINC000225386063 570568763 /nfs/dbraw/zinc/56/87/63/570568763.db2.gz WZRLUXAUEITAJR-UHFFFAOYSA-N 0 0 381.545 4.232 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)NCCCc2ccccc2OCC)c1 ZINC000225397188 570569818 /nfs/dbraw/zinc/56/98/18/570569818.db2.gz VKZMHKQUSONDJW-UHFFFAOYSA-N 0 0 386.517 4.181 40 0 GIABRN O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc2c(c1)OCCO2 ZINC000225401511 570570014 /nfs/dbraw/zinc/57/00/14/570570014.db2.gz XSXMRTJCUGTZPK-UHFFFAOYSA-N 0 0 393.414 4.106 40 0 GIABRN COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)ccc1C ZINC000225426636 570572861 /nfs/dbraw/zinc/57/28/61/570572861.db2.gz VJMAMOCZDMDPER-OAHLLOKOSA-N 0 0 389.517 4.119 40 0 GIABRN CC(C)Oc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1 ZINC000225440777 570574574 /nfs/dbraw/zinc/57/45/74/570574574.db2.gz CZFMDLIRIFYDBX-QNGOZBTKSA-N 0 0 390.439 4.476 40 0 GIABRN CC[C@H](C)C(=O)Nc1nnc(SCC(=O)Nc2ccc(C)c(Cl)c2)s1 ZINC000001371473 570574868 /nfs/dbraw/zinc/57/48/68/570574868.db2.gz COJQNKSZEKYBFH-VIFPVBQESA-N 0 0 398.941 4.215 40 0 GIABRN O=C(c1c(F)cccc1F)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000001359534 570575739 /nfs/dbraw/zinc/57/57/39/570575739.db2.gz CUMTUWZBGRAQNP-CYBMUJFWSA-N 0 0 387.361 4.174 40 0 GIABRN CCCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1cccnc1 ZINC000001361253 570576013 /nfs/dbraw/zinc/57/60/13/570576013.db2.gz BVASWNAQLCODOO-MRXNPFEDSA-N 0 0 395.532 4.486 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C ZINC000225457798 570576321 /nfs/dbraw/zinc/57/63/21/570576321.db2.gz PAHCFRVJYQAQSV-FPOVZHCZSA-N 0 0 396.531 4.096 40 0 GIABRN CCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccccn1 ZINC000001362594 570576837 /nfs/dbraw/zinc/57/68/37/570576837.db2.gz MDGIVGYAWWQBKJ-UHFFFAOYSA-N 0 0 381.505 4.098 40 0 GIABRN COc1ccccc1C(=O)N1CCC[C@@H](c2nc(-c3ccc(C)cc3)no2)C1 ZINC000001363450 570577665 /nfs/dbraw/zinc/57/76/65/570577665.db2.gz OMNUZNSAJVMYHH-QGZVFWFLSA-N 0 0 377.444 4.073 40 0 GIABRN Cc1ccccc1CN(C(=O)CSc1ccccc1)[C@H](C)C(=O)NC(C)C ZINC000225477315 570578603 /nfs/dbraw/zinc/57/86/03/570578603.db2.gz DYJJGTWGTJJSIX-GOSISDBHSA-N 0 0 384.545 4.029 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 ZINC000225489090 570579412 /nfs/dbraw/zinc/57/94/12/570579412.db2.gz MHCGSBXQOMBZDE-KNQAVFIVSA-N 0 0 396.531 4.096 40 0 GIABRN CC[C@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccc(OC)cc1 ZINC000225489728 570579503 /nfs/dbraw/zinc/57/95/03/570579503.db2.gz OZAOCGAZXWPHDL-IBGZPJMESA-N 0 0 383.517 4.260 40 0 GIABRN CC(C)(C)CC(=O)N1CCc2cc(-c3csc(NC(=O)C4CC4)n3)ccc21 ZINC000001366774 570579647 /nfs/dbraw/zinc/57/96/47/570579647.db2.gz MGKOZQMPWNVKFH-UHFFFAOYSA-N 0 0 383.517 4.484 40 0 GIABRN CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)C(=O)CC)cc2c1 ZINC000001367001 570579704 /nfs/dbraw/zinc/57/97/04/570579704.db2.gz RZVSRGAYXFVPNB-UHFFFAOYSA-N 0 0 392.499 4.217 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1)C(=O)Cc1ccccc1C ZINC000225492152 570579758 /nfs/dbraw/zinc/57/97/58/570579758.db2.gz JWDWJISAOGMBCE-SIKLNZKXSA-N 0 0 380.532 4.260 40 0 GIABRN Cc1cccc(CN(C(=O)CCCOc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225508108 570581347 /nfs/dbraw/zinc/58/13/47/570581347.db2.gz XBQOGEUVLKFKQF-FQEVSTJZSA-N 0 0 396.531 4.096 40 0 GIABRN Cc1nccn1-c1ccc(CNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000038753990 570581823 /nfs/dbraw/zinc/58/18/23/570581823.db2.gz QQRAYDXTPXYGJF-UHFFFAOYSA-N 0 0 383.879 4.146 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)C)c1 ZINC000225515194 570582752 /nfs/dbraw/zinc/58/27/52/570582752.db2.gz HLWCHIYULHVNDM-QGZVFWFLSA-N 0 0 386.923 4.133 40 0 GIABRN CN(C)C(=O)c1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1 ZINC000225520262 570583198 /nfs/dbraw/zinc/58/31/98/570583198.db2.gz INOFGOMRFMFAHJ-UHFFFAOYSA-N 0 0 389.524 4.464 40 0 GIABRN COC(=O)c1c2c(sc1NC(=O)[C@H](C)Oc1cccc(C)c1C)CCCC2 ZINC000038772298 570583197 /nfs/dbraw/zinc/58/31/97/570583197.db2.gz MTTOTKDBGZHJOF-AWEZNQCLSA-N 0 0 387.501 4.436 40 0 GIABRN Cc1ccc(C(C)C)c(OCC(=O)NCc2nc(-c3ccccc3C)no2)c1 ZINC000225535330 570585562 /nfs/dbraw/zinc/58/55/62/570585562.db2.gz VCTXAWFWVQVXOM-UHFFFAOYSA-N 0 0 379.460 4.172 40 0 GIABRN Cc1cc(NC(=S)NCCCc2ccc(F)cc2)ccc1N1CCCC1=O ZINC000225548528 570586820 /nfs/dbraw/zinc/58/68/20/570586820.db2.gz YLXLFJDFKQFRHB-UHFFFAOYSA-N 0 0 385.508 4.180 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 ZINC000225556193 570588065 /nfs/dbraw/zinc/58/80/65/570588065.db2.gz OOCCYUDVECCUFI-SIKLNZKXSA-N 0 0 396.531 4.096 40 0 GIABRN Cc1nccn1Cc1ccc(C(=O)NCCSCc2ccccc2C)cc1 ZINC000038853069 570588304 /nfs/dbraw/zinc/58/83/04/570588304.db2.gz ITWVPLKUHIQCGP-UHFFFAOYSA-N 0 0 379.529 4.211 40 0 GIABRN CC(C)Oc1ccc(CCCNC(=S)Nc2ccc3c(c2)OCCO3)cc1 ZINC000225568890 570589274 /nfs/dbraw/zinc/58/92/74/570589274.db2.gz GFRUUYSOOYGLGQ-UHFFFAOYSA-N 0 0 386.517 4.164 40 0 GIABRN COc1ccc(NC(=S)NCCCSCc2ccccc2)cc1OC ZINC000225597069 570592232 /nfs/dbraw/zinc/59/22/32/570592232.db2.gz KJTULJWNDSPYRC-UHFFFAOYSA-N 0 0 376.547 4.314 40 0 GIABRN Cc1cc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)ccc1F ZINC000225603440 570592739 /nfs/dbraw/zinc/59/27/39/570592739.db2.gz UWOWOYBSUNADBH-UHFFFAOYSA-N 0 0 378.650 4.351 40 0 GIABRN Fc1cc(Br)ccc1NC(=S)NCCCOC1CCCC1 ZINC000225619930 570595111 /nfs/dbraw/zinc/59/51/11/570595111.db2.gz JLPHAXBNCZRYTQ-UHFFFAOYSA-N 0 0 375.307 4.224 40 0 GIABRN CC(C)CSc1nnc(NC(=O)Cc2cccc(Br)c2)s1 ZINC000225624580 570595804 /nfs/dbraw/zinc/59/58/04/570595804.db2.gz AFBQXPBKZUJWAA-UHFFFAOYSA-N 0 0 386.340 4.230 40 0 GIABRN CCCOc1ccccc1CCCNC(=S)Nc1ccc(OC)c(OC)c1 ZINC000225624847 570595625 /nfs/dbraw/zinc/59/56/25/570595625.db2.gz HCVWKDDNQIMQPP-UHFFFAOYSA-N 0 0 388.533 4.412 40 0 GIABRN COc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1(C)c3ccccc3C2c2ccccc21 ZINC000003190445 570595914 /nfs/dbraw/zinc/59/59/14/570595914.db2.gz AIRPQIWHBMIGBH-VUUXHMSQSA-N 0 0 395.458 4.266 40 0 GIABRN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc(OCC)c1 ZINC000040180426 570596615 /nfs/dbraw/zinc/59/66/15/570596615.db2.gz OCYVUFMHPPHHAS-HXUWFJFHSA-N 0 0 377.444 4.287 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000225644878 570597687 /nfs/dbraw/zinc/59/76/87/570597687.db2.gz CCSLPHGYWRQOPE-XMSQKQJNSA-N 0 0 398.522 4.480 40 0 GIABRN CCOC(=O)c1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)ccc1OC ZINC000225683066 570602861 /nfs/dbraw/zinc/60/28/61/570602861.db2.gz NFYGJNRAVDXRLF-UHFFFAOYSA-N 0 0 385.435 4.462 40 0 GIABRN COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(N2CCCC2=O)cc1 ZINC000225704624 570606517 /nfs/dbraw/zinc/60/65/17/570606517.db2.gz FVALUFVCVKUFSA-FQEVSTJZSA-N 0 0 395.528 4.186 40 0 GIABRN CC[C@H](NC(=S)Nc1ccc(OC)cc1OC)c1ccc(OC)c(OC)c1 ZINC000225718382 570608028 /nfs/dbraw/zinc/60/80/28/570608028.db2.gz WDDOVXJQWQIRLX-HNNXBMFYSA-N 0 0 390.505 4.159 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1cccc(C)c1C ZINC000225718806 570608256 /nfs/dbraw/zinc/60/82/56/570608256.db2.gz OEDIZFGKYBAVLH-OAQYLSRUSA-N 0 0 396.531 4.014 40 0 GIABRN O=C(c1cccc2cccnc21)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 ZINC000012117189 570611484 /nfs/dbraw/zinc/61/14/84/570611484.db2.gz PRNBBYXETBJZAJ-IBGZPJMESA-N 0 0 395.466 4.107 40 0 GIABRN O=C(c1cccc2ncccc21)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 ZINC000012117187 570611636 /nfs/dbraw/zinc/61/16/36/570611636.db2.gz JDPVJHBRJJFWJR-SFHVURJKSA-N 0 0 395.466 4.107 40 0 GIABRN Cc1cc(C)c2c(=O)ccn(CC(=O)NCc3ccc(Cl)cc3Cl)c2c1 ZINC000225753744 570613767 /nfs/dbraw/zinc/61/37/67/570613767.db2.gz BBVSYAXGUAVHBF-UHFFFAOYSA-N 0 0 389.282 4.242 40 0 GIABRN CCOc1ccccc1-c1cc(C(=O)Nc2ccc3c(c2)nc(CC)n3C)n[nH]1 ZINC000012143789 570615322 /nfs/dbraw/zinc/61/53/22/570615322.db2.gz MWEZUCHRLFWFRH-UHFFFAOYSA-N 0 0 389.459 4.177 40 0 GIABRN Cc1c2cc(C)ccc2n(C)c1C(=O)N1CCC[C@@](O)(c2ccc(F)cc2)CC1 ZINC000012144223 570615480 /nfs/dbraw/zinc/61/54/80/570615480.db2.gz OWDIAZKZBWSBNT-DEOSSOPVSA-N 0 0 394.490 4.448 40 0 GIABRN CCOC(=O)c1cc(NC(=O)C(Cl)(Cl)Cl)ccc1OCC(C)C ZINC000225783788 570617278 /nfs/dbraw/zinc/61/72/78/570617278.db2.gz ZBZBZYQLVHXQNH-UHFFFAOYSA-N 0 0 382.671 4.207 40 0 GIABRN CCOc1ccccc1-c1cc(C(=O)N2CCn3c(C)ccc3[C@@H]2CC)[nH]n1 ZINC000012147501 570617268 /nfs/dbraw/zinc/61/72/68/570617268.db2.gz NVZRMBZFUSMJFE-IBGZPJMESA-N 0 0 378.476 4.192 40 0 GIABRN COc1ccccc1OC[C@@H](C)NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000225785812 570617328 /nfs/dbraw/zinc/61/73/28/570617328.db2.gz AOEOCVHZFFWTHO-GFCCVEGCSA-N 0 0 384.423 4.468 40 0 GIABRN CCCCNC(=S)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004132107 570617415 /nfs/dbraw/zinc/61/74/15/570617415.db2.gz GXUYDRAJVFLFDT-UHFFFAOYSA-N 0 0 383.517 4.106 40 0 GIABRN CCc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)C(CC)CC)CC3)cc2n1 ZINC000012160475 570619080 /nfs/dbraw/zinc/61/90/80/570619080.db2.gz YDTOTDDQAJXMTE-UHFFFAOYSA-N 0 0 396.457 4.453 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)c(C)c1 ZINC000225811910 570620172 /nfs/dbraw/zinc/62/01/72/570620172.db2.gz YENFMUUQFZNFNS-UHFFFAOYSA-N 0 0 381.350 4.208 40 0 GIABRN FC(F)(F)c1ccc(NC(=S)NCc2nc(-c3ccccc3)no2)cc1 ZINC000225813463 570620713 /nfs/dbraw/zinc/62/07/13/570620713.db2.gz JVDNXZHSVBQGBS-UHFFFAOYSA-N 0 0 378.379 4.242 40 0 GIABRN Cc1cccc(-c2noc(CCC(=O)Nc3ccc(Br)cc3)n2)c1 ZINC000225813571 570620746 /nfs/dbraw/zinc/62/07/46/570620746.db2.gz DKYHQXRTMLOWJA-UHFFFAOYSA-N 0 0 386.249 4.379 40 0 GIABRN CC(C)CSc1nnc(NC(=O)COc2cccc(C(F)(F)F)c2)s1 ZINC000225815583 570621150 /nfs/dbraw/zinc/62/11/50/570621150.db2.gz VGJLHTITDPCRCA-UHFFFAOYSA-N 0 0 391.440 4.323 40 0 GIABRN Cc1cc2nc(C3CCN(C(=O)C4CCCCC4)CC3)cc(C(F)(F)F)n2n1 ZINC000012186681 570621247 /nfs/dbraw/zinc/62/12/47/570621247.db2.gz CUALRTGSFPSYJC-UHFFFAOYSA-N 0 0 394.441 4.343 40 0 GIABRN CCc1cccc(CC)c1NC(=O)CCc1nc(-c2cccc(OC)c2)no1 ZINC000225825084 570621875 /nfs/dbraw/zinc/62/18/75/570621875.db2.gz SQOIZKBEUBLYFY-UHFFFAOYSA-N 0 0 379.460 4.441 40 0 GIABRN CSc1ncc(C(=O)Nc2nc(-c3c[nH]c4cc(C)ccc43)cs2)cn1 ZINC000012193719 570622514 /nfs/dbraw/zinc/62/25/14/570622514.db2.gz OFNYBVGYJRQLMT-UHFFFAOYSA-N 0 0 381.486 4.364 40 0 GIABRN COc1ccc(C2(NC(=O)c3cccc(N4CCCC4=O)c3)CCCC2)cc1 ZINC000012197659 570623699 /nfs/dbraw/zinc/62/36/99/570623699.db2.gz WAULWQREPGEYIC-UHFFFAOYSA-N 0 0 378.472 4.021 40 0 GIABRN CCCO[C@@]1(C(=O)Nc2ccc(OCC)c(C(=O)OC)c2)CCC[C@@H](C)C1 ZINC000225853306 570626352 /nfs/dbraw/zinc/62/63/52/570626352.db2.gz MDQSKKBKEZNXDQ-VFNWGFHPSA-N 0 0 377.481 4.186 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)c3ccc(N4CCCCC4)cc3)s2)cc1 ZINC000225851744 570626612 /nfs/dbraw/zinc/62/66/12/570626612.db2.gz RIOWXSUZVACFJD-UHFFFAOYSA-N 0 0 394.500 4.456 40 0 GIABRN O=[N+]([O-])C(C(Sc1ccc2ccccc2c1)=C(Cl)Cl)=C1NCCN1 ZINC000004475648 570627513 /nfs/dbraw/zinc/62/75/13/570627513.db2.gz BWYMNOLUMZIWQA-UHFFFAOYSA-N 0 0 382.272 4.217 40 0 GIABRN CCOC(=O)c1ccc(NN2C(=O)c3ccccc3N[C@@H]2c2ccccc2)cc1 ZINC000013914058 570627646 /nfs/dbraw/zinc/62/76/46/570627646.db2.gz RTHDWJYEEYHUIB-NRFANRHFSA-N 0 0 387.439 4.457 40 0 GIABRN CCOC(=O)c1ccc(NN2C(=O)c3ccccc3N[C@H]2c2ccccc2)cc1 ZINC000013914060 570627727 /nfs/dbraw/zinc/62/77/27/570627727.db2.gz RTHDWJYEEYHUIB-OAQYLSRUSA-N 0 0 387.439 4.457 40 0 GIABRN CC[C@H](C)C(=O)N1CCC[C@@H]1Cn1c2ccc(C)cc2c(=O)cc1C(F)(F)F ZINC000012222079 570627947 /nfs/dbraw/zinc/62/79/47/570627947.db2.gz KWNFGKMOBZCFNW-LSDHHAIUSA-N 0 0 394.437 4.366 40 0 GIABRN CN(CCc1ccccn1)c1ncc(-c2cccs2)c(-c2nccs2)n1 ZINC000012222430 570628092 /nfs/dbraw/zinc/62/80/92/570628092.db2.gz ZCMODJGPQFSACQ-UHFFFAOYSA-N 0 0 379.514 4.403 40 0 GIABRN CN(CCc1ccccn1)c1ncc(-c2ccsc2)c(-c2nccs2)n1 ZINC000012222431 570628145 /nfs/dbraw/zinc/62/81/45/570628145.db2.gz DNODNJGUNRYTRY-UHFFFAOYSA-N 0 0 379.514 4.403 40 0 GIABRN Cc1ncccc1-c1cc2cccnc2n1CCC(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000012222789 570628501 /nfs/dbraw/zinc/62/85/01/570628501.db2.gz PMBVCMHNEJEQGD-AEFFLSMTSA-N 0 0 376.504 4.444 40 0 GIABRN CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)c(C)n1 ZINC000225877965 570629371 /nfs/dbraw/zinc/62/93/71/570629371.db2.gz KNPVEAKVTPAPKM-UHFFFAOYSA-N 0 0 398.503 4.264 40 0 GIABRN C[C@@H]1Oc2ccc(NCc3cccc(OCc4cccnc4)c3)cc2N(C)C1=O ZINC000012238295 570629651 /nfs/dbraw/zinc/62/96/51/570629651.db2.gz RZMFTCSFOFESBQ-INIZCTEOSA-N 0 0 389.455 4.016 40 0 GIABRN O=c1[nH]c(=O)c2c([nH]1)Nc1ccc3ccccc3c1[C@@H]2c1ccccc1Cl ZINC000004459124 570629769 /nfs/dbraw/zinc/62/97/69/570629769.db2.gz YOGMKOLYLHCAIH-KRWDZBQOSA-N 0 0 375.815 4.107 40 0 GIABRN Cc1cccc(CC(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)c1 ZINC000012254223 570631050 /nfs/dbraw/zinc/63/10/50/570631050.db2.gz MMWQTCZZKHQISD-FQEVSTJZSA-N 0 0 386.499 4.219 40 0 GIABRN Cc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)cs1 ZINC000012254268 570631168 /nfs/dbraw/zinc/63/11/68/570631168.db2.gz CTFZZCAKDVUVPY-GOSISDBHSA-N 0 0 378.501 4.352 40 0 GIABRN COc1ccc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCCC3)cc1 ZINC000004510787 570631635 /nfs/dbraw/zinc/63/16/35/570631635.db2.gz ZKYIMHXTJFKUCW-UHFFFAOYSA-N 0 0 397.422 4.114 40 0 GIABRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl ZINC000004767206 570632586 /nfs/dbraw/zinc/63/25/86/570632586.db2.gz FMFJNFIDEHMIKY-NGZCFLSTSA-N 0 0 393.698 4.140 40 0 GIABRN [NH3+][C@@H](CC(=O)[O-])c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000044216289 570632643 /nfs/dbraw/zinc/63/26/43/570632643.db2.gz KYSDMSUOMNGPCH-FQEVSTJZSA-N 0 0 377.440 4.319 40 0 GIABRN O[C@H](CN1CCC(O)(c2ccccc2F)CC1)c1ccc(Cl)c(Cl)c1 ZINC000012292333 570633273 /nfs/dbraw/zinc/63/32/73/570633273.db2.gz IBIKAIXVESKYGX-GOSISDBHSA-N 0 0 384.278 4.150 40 0 GIABRN COc1ccc(NC(=O)C2(C)COC(c3ccccc3OC)OC2)cc1Cl ZINC000225921363 570633588 /nfs/dbraw/zinc/63/35/88/570633588.db2.gz RWADSVRVEXQYAX-UHFFFAOYSA-N 0 0 391.851 4.048 40 0 GIABRN CC1CCN([C@H](c2nnnn2Cc2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000004847721 570634327 /nfs/dbraw/zinc/63/43/27/570634327.db2.gz FMNPOIVANULNOZ-FQEVSTJZSA-N 0 0 399.901 4.335 40 0 GIABRN Cc1cccc(NC(=O)NCCNc2nc(C)nc3sc4c(c32)CCCC4)c1 ZINC000004848582 570634656 /nfs/dbraw/zinc/63/46/56/570634656.db2.gz CEVTWPANMSDGFA-UHFFFAOYSA-N 0 0 395.532 4.421 40 0 GIABRN CCOc1ccc2nc3sc(C(=O)NCc4cccs4)c(N)c3cc2c1 ZINC000004848830 570634813 /nfs/dbraw/zinc/63/48/13/570634813.db2.gz PUCWXOXMTWURIQ-UHFFFAOYSA-N 0 0 383.498 4.422 40 0 GIABRN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)Cc3ccccc3C2)cn1 ZINC000225934213 570634780 /nfs/dbraw/zinc/63/47/80/570634780.db2.gz AEURWSUKDISWLR-UHFFFAOYSA-N 0 0 378.859 4.419 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000044847818 570635586 /nfs/dbraw/zinc/63/55/86/570635586.db2.gz UGFJPCOCEYOTJJ-HXUWFJFHSA-N 0 0 380.488 4.336 40 0 GIABRN CCc1cc2ccccc2nc1SCC(=O)Nc1cccc(C(=O)OC)c1 ZINC000004849252 570635565 /nfs/dbraw/zinc/63/55/65/570635565.db2.gz QWOMNKGTZSJEKS-UHFFFAOYSA-N 0 0 380.469 4.315 40 0 GIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000044848833 570635707 /nfs/dbraw/zinc/63/57/07/570635707.db2.gz LSULWOHGSYVZSX-OAQYLSRUSA-N 0 0 396.487 4.117 40 0 GIABRN CCOc1ccc(CCCNC(=O)c2ccc(Cn3ccnc3C)cc2)cc1 ZINC000044851493 570636275 /nfs/dbraw/zinc/63/62/75/570636275.db2.gz KSPHZUKTFCDYHQ-UHFFFAOYSA-N 0 0 377.488 4.001 40 0 GIABRN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cn3ccnc3)cc1)CC(C)(C)O2 ZINC000044855282 570636589 /nfs/dbraw/zinc/63/65/89/570636589.db2.gz ARNDCCGZJZGBHI-FQEVSTJZSA-N 0 0 375.472 4.272 40 0 GIABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000044855432 570636717 /nfs/dbraw/zinc/63/67/17/570636717.db2.gz VVVVAEXGJJRHGC-HXUWFJFHSA-N 0 0 375.472 4.272 40 0 GIABRN C[C@H](NC(=S)Nc1nc(Cl)cc(N2CCCCC2)n1)c1ccccc1 ZINC000225963868 570636781 /nfs/dbraw/zinc/63/67/81/570636781.db2.gz ZPHHTNUVEOQPSR-ZDUSSCGKSA-N 0 0 375.929 4.168 40 0 GIABRN O=C(CSc1nc2cccnc2n1Cc1ccccc1)NC1CCCCC1 ZINC000004852532 570637834 /nfs/dbraw/zinc/63/78/34/570637834.db2.gz RZSOWRAXDVONRQ-UHFFFAOYSA-N 0 0 380.517 4.021 40 0 GIABRN C[C@H]1CCCCN1c1cc(Oc2ccccc2)nc(NC(=S)NC2CC2)n1 ZINC000226003840 570638600 /nfs/dbraw/zinc/63/86/00/570638600.db2.gz LBOSOQJTVDLLKC-AWEZNQCLSA-N 0 0 383.521 4.097 40 0 GIABRN COc1ccc2cc(C(=O)NCc3ccc(Cl)cc3Cl)c(=O)oc2c1 ZINC000226042597 570639578 /nfs/dbraw/zinc/63/95/78/570639578.db2.gz UDJYYTZMZJDHIB-UHFFFAOYSA-N 0 0 378.211 4.038 40 0 GIABRN CC[C@@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1[C@@H](C)c1ccccc1 ZINC000004860774 570640464 /nfs/dbraw/zinc/64/04/64/570640464.db2.gz ZXCXRRKHGAYQDH-CABCVRRESA-N 0 0 398.532 4.463 40 0 GIABRN CC[C@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1CCc1ccccc1 ZINC000004860767 570640583 /nfs/dbraw/zinc/64/05/83/570640583.db2.gz ZSOHUXACJHFNDT-HNNXBMFYSA-N 0 0 398.532 4.096 40 0 GIABRN CN(Cc1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000044904687 570641224 /nfs/dbraw/zinc/64/12/24/570641224.db2.gz KQNAXVFEZMBCRV-UHFFFAOYSA-N 0 0 388.714 4.064 40 0 GIABRN C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1 ZINC000044903737 570641308 /nfs/dbraw/zinc/64/13/08/570641308.db2.gz LGUDGCKOOGKPRZ-HNNXBMFYSA-N 0 0 398.459 4.118 40 0 GIABRN Cc1sc2nc(C3CC3)nc(NCCNC(=O)c3cccc(F)c3)c2c1C ZINC000004882436 570642181 /nfs/dbraw/zinc/64/21/81/570642181.db2.gz XKOKUMNVHAFXJT-UHFFFAOYSA-N 0 0 384.480 4.167 40 0 GIABRN CC(C)(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)Nc1ccccc1Cl ZINC000004888255 570643210 /nfs/dbraw/zinc/64/32/10/570643210.db2.gz HXKVHXVJGAYTNB-GOOCMWNKSA-N 0 0 377.916 4.420 40 0 GIABRN CCOc1ccc2[nH]c(C(=O)N3CCC(COc4ccccn4)CC3)c(C)c2c1 ZINC000012325812 570643333 /nfs/dbraw/zinc/64/33/33/570643333.db2.gz ORKHYXOIXXAJIA-UHFFFAOYSA-N 0 0 393.487 4.201 40 0 GIABRN O=C(NC1CCN(C(=S)Nc2ccccc2Cl)CC1)C1CCCCC1 ZINC000004888675 570643612 /nfs/dbraw/zinc/64/36/12/570643612.db2.gz ONSXBMSJEHYJRZ-UHFFFAOYSA-N 0 0 379.957 4.198 40 0 GIABRN CCCCCC(=O)N1CCC[C@H](c2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000004890319 570644000 /nfs/dbraw/zinc/64/40/00/570644000.db2.gz FSSDWFJNUGVLGZ-INIZCTEOSA-N 0 0 387.480 4.040 40 0 GIABRN Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H](C)NC(=O)C1CCCCC1 ZINC000012337273 570644621 /nfs/dbraw/zinc/64/46/21/570644621.db2.gz XELLCKAWJOYVQQ-CQSZACIVSA-N 0 0 394.437 4.414 40 0 GIABRN Cc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000004953309 570646496 /nfs/dbraw/zinc/64/64/96/570646496.db2.gz WONCAOODBUDGSR-GOSISDBHSA-N 0 0 385.920 4.388 40 0 GIABRN CCCN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1cc(OC)ccc1OC ZINC000004909729 570648456 /nfs/dbraw/zinc/64/84/56/570648456.db2.gz PKBJCVRRFSFIIZ-NRFANRHFSA-N 0 0 395.434 4.188 40 0 GIABRN CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC000047156148 570653119 /nfs/dbraw/zinc/65/31/19/570653119.db2.gz AFZYUGARQVYEBM-UHFFFAOYSA-N 0 0 396.468 4.138 40 0 GIABRN O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc2nsnc2c1 ZINC000059294285 570653455 /nfs/dbraw/zinc/65/34/55/570653455.db2.gz BDONLQIEVYOTQY-UHFFFAOYSA-N 0 0 383.285 4.125 40 0 GIABRN CCOc1cc([C@H]2Nc3c(sc(=S)n3-c3ccccc3)C(=O)N2)ccc1O ZINC000059459454 570654361 /nfs/dbraw/zinc/65/43/61/570654361.db2.gz AINXKAJXWYDLJH-INIZCTEOSA-N 0 0 399.497 4.227 40 0 GIABRN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000059418672 570656613 /nfs/dbraw/zinc/65/66/13/570656613.db2.gz CDUFUDYNTJFZSK-ISQHLFTMSA-N 0 0 385.850 4.434 40 0 GIABRN CCOC(=O)n1nc(C(=O)NC2(c3ccc(F)cc3)CCCC2)c2c1CCCC2 ZINC000005016799 570657311 /nfs/dbraw/zinc/65/73/11/570657311.db2.gz WRSIHPALOWXPAK-UHFFFAOYSA-N 0 0 399.466 4.105 40 0 GIABRN Cc1cccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)/C=C/c2ccccc2)c1 ZINC000059502333 570659443 /nfs/dbraw/zinc/65/94/43/570659443.db2.gz RUMGVUMJHKJPRR-CCEZHUSRSA-N 0 0 396.446 4.295 40 0 GIABRN NC(=O)c1ccccc1NC(=O)c1ccc(CSCc2ccccc2)cc1 ZINC000059960918 570660513 /nfs/dbraw/zinc/66/05/13/570660513.db2.gz PHURRLYCPWRKIN-UHFFFAOYSA-N 0 0 376.481 4.471 40 0 GIABRN Cc1ccc2[nH]c3nc(SCC(=O)Nc4cccc(C)c4C)nnc3c2c1 ZINC000005519377 570663650 /nfs/dbraw/zinc/66/36/50/570663650.db2.gz FKHBVPOQINEMSU-UHFFFAOYSA-N 0 0 377.473 4.162 40 0 GIABRN Cc1[nH]nc2c1[C@@H](c1ccc(OCc3ccccc3)cc1)S[C@@H](C)C(=O)N2 ZINC000006678670 570672803 /nfs/dbraw/zinc/67/28/03/570672803.db2.gz KPGHTTADVZYSAZ-IFXJQAMLSA-N 0 0 379.485 4.460 40 0 GIABRN CCNc1nc(NCc2ccccc2Br)cc(C(F)(F)F)n1 ZINC000318424706 570679045 /nfs/dbraw/zinc/67/90/45/570679045.db2.gz IZSLALITVSOTIR-UHFFFAOYSA-N 0 0 375.192 4.302 40 0 GIABRN O=C1N/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000408932893 570686210 /nfs/dbraw/zinc/68/62/10/570686210.db2.gz FOCQDKCLZZFYBK-DHDCSXOGSA-N 0 0 380.753 4.452 40 0 GIABRN CCOc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc12 ZINC000409009278 570693219 /nfs/dbraw/zinc/69/32/19/570693219.db2.gz CTZCFCSBRCBXCX-DEDYPNTBSA-N 0 0 390.414 4.471 40 0 GIABRN CCCn1c(Cc2ccccc2)nnc1SCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000409103482 570698583 /nfs/dbraw/zinc/69/85/83/570698583.db2.gz HFIPHELGJVTLNL-CALCHBBNSA-N 0 0 386.565 4.161 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3Cc3ccncc3)N21 ZINC000260783831 570705174 /nfs/dbraw/zinc/70/51/74/570705174.db2.gz UIXMXUABUPZMET-QMMLZNLJSA-N 0 0 389.528 4.306 40 0 GIABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCCN1c2ccccc2C[C@H]1C ZINC000260808130 570708088 /nfs/dbraw/zinc/70/80/88/570708088.db2.gz FUNOFHVAQFHLII-RTBURBONSA-N 0 0 392.543 4.290 40 0 GIABRN COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2C)ccc1O ZINC000103158545 570724580 /nfs/dbraw/zinc/72/45/80/570724580.db2.gz JEKYBNHMSILYQO-CKUXNOBLSA-N 0 0 395.499 4.218 40 0 GIABRN Cc1cccc(OCc2nnc(SCc3nnc(-c4ccccc4)o3)o2)c1 ZINC000005293810 570732532 /nfs/dbraw/zinc/73/25/32/570732532.db2.gz LCSLPNTUIBGTAB-UHFFFAOYSA-N 0 0 380.429 4.299 40 0 GIABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3cc(C)ccc3C)o2)c1 ZINC000005294711 570733002 /nfs/dbraw/zinc/73/30/02/570733002.db2.gz BNGWHDYWSPXPDC-UHFFFAOYSA-N 0 0 383.473 4.305 40 0 GIABRN COc1cc(C=O)ccc1OCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000058537053 570734633 /nfs/dbraw/zinc/73/46/33/570734633.db2.gz YUNZQQXRMSCVQF-UHFFFAOYSA-N 0 0 378.306 4.156 40 0 GIABRN COc1ccccc1OCCNC(=O)CSCc1cccc2ccccc21 ZINC000058486067 570734646 /nfs/dbraw/zinc/73/46/46/570734646.db2.gz LCFWLRMBUBCVGS-UHFFFAOYSA-N 0 0 381.497 4.277 40 0 GIABRN O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc(Cl)c(Cl)c1 ZINC000006225032 570739550 /nfs/dbraw/zinc/73/95/50/570739550.db2.gz LWAWGGQXNXQYNZ-UHFFFAOYSA-N 0 0 390.255 4.412 40 0 GIABRN O=C(Nc1cccnc1)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 ZINC000006257369 570740335 /nfs/dbraw/zinc/74/03/35/570740335.db2.gz TZQJDHCPPGPAPL-UHFFFAOYSA-N 0 0 380.411 4.267 40 0 GIABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccccc2)c1 ZINC000006263893 570740410 /nfs/dbraw/zinc/74/04/10/570740410.db2.gz QATFVKCVBBUYFP-UHFFFAOYSA-N 0 0 375.881 4.205 40 0 GIABRN Cc1cc(C)n(Cc2ccc(C(=O)NCc3cccc(OC(C)C)c3)cc2)n1 ZINC000061164190 570742313 /nfs/dbraw/zinc/74/23/13/570742313.db2.gz OPODHGSHJHRXIS-UHFFFAOYSA-N 0 0 377.488 4.265 40 0 GIABRN COc1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000006479859 570743548 /nfs/dbraw/zinc/74/35/48/570743548.db2.gz HATWYNSLUZEXAE-UHFFFAOYSA-N 0 0 395.480 4.230 40 0 GIABRN CCOc1cccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000006554607 570747214 /nfs/dbraw/zinc/74/72/14/570747214.db2.gz ZPWCEXRASGUPOG-UHFFFAOYSA-N 0 0 391.905 4.475 40 0 GIABRN CCCCc1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000006652938 570748907 /nfs/dbraw/zinc/74/89/07/570748907.db2.gz VGCSYHVHCUZVRL-UHFFFAOYSA-N 0 0 388.533 4.051 40 0 GIABRN Cc1cc(Br)c(I)c(Br)c1F ZINC000063339588 570750207 /nfs/dbraw/zinc/75/02/07/570750207.db2.gz YMJQGYLQMYFIIG-UHFFFAOYSA-N 0 0 393.819 4.264 40 0 GIABRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)C(Cl)(Cl)Cl ZINC000006884115 570752649 /nfs/dbraw/zinc/75/26/49/570752649.db2.gz TXFUIJMEISKEPO-UHFFFAOYSA-N 0 0 389.116 4.133 40 0 GIABRN CC[C@@](Br)([C@@H](O)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC ZINC000096521625 570755158 /nfs/dbraw/zinc/75/51/58/570755158.db2.gz HDRXAEGQRPGRFR-ROUUACIJSA-N 0 0 397.334 4.323 40 0 GIABRN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1ccccc1F ZINC000007193648 570756157 /nfs/dbraw/zinc/75/61/57/570756157.db2.gz DQYXSPQBUQQAFL-UHFFFAOYSA-N 0 0 393.827 4.172 40 0 GIABRN COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000007608833 570761443 /nfs/dbraw/zinc/76/14/43/570761443.db2.gz OUVGENYPQWJENO-DTQAZKPQSA-N 0 0 386.451 4.277 40 0 GIABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000007882246 570762810 /nfs/dbraw/zinc/76/28/10/570762810.db2.gz OVIZJJZMCHXBGX-NSHDSACASA-N 0 0 382.769 4.350 40 0 GIABRN Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3C)CC2=O)c1 ZINC000007882448 570762838 /nfs/dbraw/zinc/76/28/38/570762838.db2.gz WEXVSDQPDDNFFE-AWEZNQCLSA-N 0 0 387.277 4.058 40 0 GIABRN Cc1cc(NC(=O)COC(=O)c2ccccc2F)c(C)cc1Br ZINC000007939749 570763244 /nfs/dbraw/zinc/76/32/44/570763244.db2.gz COXGRDNOFXEIJJ-UHFFFAOYSA-N 0 0 380.213 4.001 40 0 GIABRN CN(C)c1nc([C@H]2CCCCN2C(=O)c2cc(F)cc(F)c2)cn2cccc12 ZINC000257225800 570763648 /nfs/dbraw/zinc/76/36/48/570763648.db2.gz FHWJGCUUSIRHAS-GOSISDBHSA-N 0 0 384.430 4.046 40 0 GIABRN CCOc1ccc(Nc2nc(CSc3nc4ccccc4o3)cc(=O)[nH]2)cc1 ZINC000013637042 570765029 /nfs/dbraw/zinc/76/50/29/570765029.db2.gz LUEAVMGBYXYXRS-UHFFFAOYSA-N 0 0 394.456 4.346 40 0 GIABRN Cc1ccccc1OCC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257235151 570766531 /nfs/dbraw/zinc/76/65/31/570766531.db2.gz GWRAWGTZKYPHPJ-HXUWFJFHSA-N 0 0 390.483 4.359 40 0 GIABRN CC(C)C[C@H]1CN(S(=O)(=O)c2ccccc2)CC[C@H]1Nc1cccc(F)c1 ZINC000257238789 570767545 /nfs/dbraw/zinc/76/75/45/570767545.db2.gz HMNPBQGCQKJYQB-LAUBAEHRSA-N 0 0 390.524 4.363 40 0 GIABRN Cc1ccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1 ZINC000008494498 570769097 /nfs/dbraw/zinc/76/90/97/570769097.db2.gz WGJOLNGBHDPUCJ-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN O=S(=O)(Cc1ccccc1)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000013667893 570769553 /nfs/dbraw/zinc/76/95/53/570769553.db2.gz PWPHDDDJPXODBY-UHFFFAOYSA-N 0 0 385.460 4.024 40 0 GIABRN COc1cc(CNC(=O)c2ccccc2Br)ccc1OC(C)C ZINC000013669736 570770474 /nfs/dbraw/zinc/77/04/74/570770474.db2.gz AAYYBYTUOHPKDN-UHFFFAOYSA-N 0 0 378.266 4.175 40 0 GIABRN O=S(=O)(NCCSCc1ccccc1F)c1cc(Cl)ccc1Cl ZINC000013676468 570772267 /nfs/dbraw/zinc/77/22/67/570772267.db2.gz JJNMOYRTJMZTTF-UHFFFAOYSA-N 0 0 394.320 4.344 40 0 GIABRN CC(C)CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 ZINC000008810452 570772467 /nfs/dbraw/zinc/77/24/67/570772467.db2.gz HEFFEVBULMYMEG-UHFFFAOYSA-N 0 0 398.887 4.056 40 0 GIABRN O=C(CCSCc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000013688178 570774778 /nfs/dbraw/zinc/77/47/78/570774778.db2.gz RCEMDQPJDXBJBM-KPKJPENVSA-N 0 0 380.557 4.168 40 0 GIABRN Cc1nn(-c2nc3ccccc3[nH]2)c2c1C(=O)C[C@@H](c1cc(F)cc(F)c1)C2 ZINC000009938877 570777938 /nfs/dbraw/zinc/77/79/38/570777938.db2.gz NCVVVSDKFQFHMJ-ZDUSSCGKSA-N 0 0 378.382 4.248 40 0 GIABRN CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714135 570778322 /nfs/dbraw/zinc/77/83/22/570778322.db2.gz OFUIMRJKYSIYFA-SFHVURJKSA-N 0 0 394.924 4.140 40 0 GIABRN Cn1c2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc2n(C)c1=O ZINC000013717051 570779121 /nfs/dbraw/zinc/77/91/21/570779121.db2.gz SYAMKZCQCIRKSK-UHFFFAOYSA-N 0 0 385.467 4.038 40 0 GIABRN COc1ccc([C@H](C)NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)cc1 ZINC000170569312 570787803 /nfs/dbraw/zinc/78/78/03/570787803.db2.gz VGPGCQZHKPKAFS-INIZCTEOSA-N 0 0 376.460 4.337 40 0 GIABRN Cc1ccc(N(CCCC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1C ZINC000010433935 570790038 /nfs/dbraw/zinc/79/00/38/570790038.db2.gz RRWVGTYQSSSNQA-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN COc1ccc(S(=O)(=O)NCCCc2ccc(OC(C)C)cc2)cc1Cl ZINC000010543364 570791849 /nfs/dbraw/zinc/79/18/49/570791849.db2.gz LFAZLNUNLILSJJ-UHFFFAOYSA-N 0 0 397.924 4.047 40 0 GIABRN O=S(=O)(Cc1c(F)cccc1Cl)NCCCc1ccc(Cl)cc1 ZINC000010543418 570792036 /nfs/dbraw/zinc/79/20/36/570792036.db2.gz GHVDXABYFIDQNS-UHFFFAOYSA-N 0 0 376.280 4.185 40 0 GIABRN COc1ccc(-c2nnc(SCC(=O)Nc3nc4ccccc4s3)o2)cc1 ZINC000012179381 570802851 /nfs/dbraw/zinc/80/28/51/570802851.db2.gz JLGGSTFCIIEAMK-UHFFFAOYSA-N 0 0 398.469 4.086 40 0 GIABRN C[C@@H](OC(=O)/C=C/c1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000012982686 570818053 /nfs/dbraw/zinc/81/80/53/570818053.db2.gz SWPXVCDCIBEVTP-GCHJVOKISA-N 0 0 383.410 4.345 40 0 GIABRN COc1cc(NCc2cc3cc(C(C)(C)C)ccc3[nH]c2=O)cc(OC)c1OC ZINC000013086673 570821426 /nfs/dbraw/zinc/82/14/26/570821426.db2.gz ZMVLMAIGPSDPSQ-UHFFFAOYSA-N 0 0 396.487 4.464 40 0 GIABRN CCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cc(OC)cc(OC)c1 ZINC000013479892 570848112 /nfs/dbraw/zinc/84/81/12/570848112.db2.gz VPLQNCAOFPGMQG-UHFFFAOYSA-N 0 0 380.444 4.010 40 0 GIABRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(I)cc2)cc1 ZINC000013989011 570868356 /nfs/dbraw/zinc/86/83/56/570868356.db2.gz NQGUQFOZLFTCHX-LBPRGKRZSA-N 0 0 381.213 4.006 40 0 GIABRN COc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000014006305 570875288 /nfs/dbraw/zinc/87/52/88/570875288.db2.gz PFLLNNXAQZCMAU-QGZVFWFLSA-N 0 0 396.487 4.117 40 0 GIABRN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)cc1 ZINC000003593028 570877239 /nfs/dbraw/zinc/87/72/39/570877239.db2.gz ADKLPKIYIJGKGO-UHFFFAOYSA-N 0 0 375.837 4.129 40 0 aggregator GIABRN O=C(CSc1nnc(Cc2ccccc2)[nH]1)c1ccc(Br)cc1 ZINC000014152572 570877766 /nfs/dbraw/zinc/87/77/66/570877766.db2.gz QBRNEVVWZIBWGW-UHFFFAOYSA-N 0 0 388.290 4.133 40 0 GIABRN CCCOc1ccc([C@H]2C(C(=O)OCC)C(CCC)=Nc3nc(C)nn32)cc1 ZINC000014163415 570878440 /nfs/dbraw/zinc/87/84/40/570878440.db2.gz MBFPLGCSGIVJMY-IBGZPJMESA-N 0 0 384.480 4.008 40 0 GIABRN C[C@H]1C[C@@H]1C(=O)N1CC[C@H](c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C(C)(C)C)N3)C1 ZINC000072337827 570879915 /nfs/dbraw/zinc/87/99/15/570879915.db2.gz LMWTYJYVPCZGRO-RDUHTLEXSA-N 0 0 398.473 4.189 40 0 GIABRN CCCCOC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000014256717 570880085 /nfs/dbraw/zinc/88/00/85/570880085.db2.gz KBBWDYZTJVFFHL-UHFFFAOYSA-N 0 0 375.490 4.370 40 0 GIABRN CCc1c(C)noc1-c1cnc(N2CCCCCC2)nc1-c1cnc(C)cn1 ZINC000072337675 570880063 /nfs/dbraw/zinc/88/00/63/570880063.db2.gz CNHJURQIUSEREV-UHFFFAOYSA-N 0 0 378.480 4.148 40 0 GIABRN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000014399617 570884498 /nfs/dbraw/zinc/88/44/98/570884498.db2.gz WRPBZPXNGKULBC-MRXNPFEDSA-N 0 0 384.451 4.248 40 0 GIABRN COc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)Nc2cc(C)ccn2)cc1 ZINC000036616649 570888088 /nfs/dbraw/zinc/88/80/88/570888088.db2.gz ACBMTLTTYMWENH-UHFFFAOYSA-N 0 0 387.443 4.002 40 0 GIABRN C[C@@]12CC[C@@H](C[C@H]1C(=O)NC1CCCCCC1)[C@@]1(C2)Nc2ccccc2C(=O)N1 ZINC000257227558 570891342 /nfs/dbraw/zinc/89/13/42/570891342.db2.gz FPXHHXMDWZMCJP-NNFIXVBKSA-N 0 0 395.547 4.204 40 0 GIABRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2cccc(Cl)c2C)CC1=O ZINC000014495068 570892293 /nfs/dbraw/zinc/89/22/93/570892293.db2.gz BIVYHURYGXCVNS-LBPRGKRZSA-N 0 0 393.270 4.302 40 0 GIABRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccs3)C2=O)c(C)c1 ZINC000208282575 570892332 /nfs/dbraw/zinc/89/23/32/570892332.db2.gz VDABDKWHOXIPRV-OQLLNIDSSA-N 0 0 386.498 4.348 40 0 GIABRN CC(=O)NC[C@H]1CC[C@H](c2c3ccccc3sc2C(=O)NCC2CC2)CC1 ZINC000257272401 570899160 /nfs/dbraw/zinc/89/91/60/570899160.db2.gz NCGQJAOKNSRDPS-QAQDUYKDSA-N 0 0 384.545 4.451 40 0 GIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)C[C@H](C)n2ccnc2C)cc1 ZINC000257367416 570915176 /nfs/dbraw/zinc/91/51/76/570915176.db2.gz OBTLZZMYKIUSHR-USVYMFKHSA-N 0 0 381.520 4.240 40 0 GIABRN COc1ccccc1[C@H]1C(C(=O)OC(C)C)C(C)=Nc2nc3ccccc3n21 ZINC000017077197 570916517 /nfs/dbraw/zinc/91/65/17/570916517.db2.gz HSBDAMGDPVMWKD-FQEVSTJZSA-N 0 0 377.444 4.285 40 0 GIABRN COc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc(SC)nn32)cc1OC ZINC000017077796 570916875 /nfs/dbraw/zinc/91/68/75/570916875.db2.gz BRGRHDRTLIZTGY-INIZCTEOSA-N 0 0 380.473 4.073 40 0 GIABRN C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccccc2C(F)(F)F)CC1=O ZINC000096589851 570923133 /nfs/dbraw/zinc/92/31/33/570923133.db2.gz VCSWXMQWOIHKHH-ZFWWWQNUSA-N 0 0 376.378 4.254 40 0 GIABRN CN(C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2)c1ccccc1 ZINC000018209763 570923299 /nfs/dbraw/zinc/92/32/99/570923299.db2.gz HSNNGRZIBLGUMY-XJKSGUPXSA-N 0 0 390.365 4.413 40 0 GIABRN Cc1ccc(C(=O)N2CCC[C@]3(CCN3c3ncnc4ccccc43)C2)c(C)c1 ZINC000585102362 570930640 /nfs/dbraw/zinc/93/06/40/570930640.db2.gz YKWZDHNYMSONHI-DEOSSOPVSA-N 0 0 386.499 4.132 40 0 GIABRN CC(=O)Nc1ccc(-c2ccc3c(c2)C2(CN3C(=O)C(C)C)CCOCC2)cc1 ZINC000585105788 570932470 /nfs/dbraw/zinc/93/24/70/570932470.db2.gz MBLDAYSMWVRUHL-UHFFFAOYSA-N 0 0 392.499 4.363 40 0 GIABRN CC(C)c1ccc(CN2CCc3oc(C(=O)N4CCC[C@H](C)C4)nc3C2)cc1 ZINC000585111805 570942448 /nfs/dbraw/zinc/94/24/48/570942448.db2.gz HFTYASDWFIYOOL-KRWDZBQOSA-N 0 0 381.520 4.228 40 0 GIABRN CN(C)c1ccc(-c2ncn3c2[C@@H](NC(=O)c2cccc(F)c2)CCC3)cc1 ZINC000585110690 570944186 /nfs/dbraw/zinc/94/41/86/570944186.db2.gz SDYQULGXOJSVCS-IBGZPJMESA-N 0 0 378.451 4.020 40 0 GIABRN CCOC(=O)Cc1c(NC(=O)OCC)cc(C(F)(F)F)cc1C(F)(F)F ZINC000199816207 570951386 /nfs/dbraw/zinc/95/13/86/570951386.db2.gz HAKCDGSKHCVUPN-UHFFFAOYSA-N 0 0 387.276 4.398 40 0 GIABRN CCOC(=O)c1cn(Cc2cc(F)cc(F)c2)c2cc(Cl)c(F)cc2c1=O ZINC000199805006 570951442 /nfs/dbraw/zinc/95/14/42/570951442.db2.gz UEXUMKVAZIOAKW-UHFFFAOYSA-N 0 0 395.764 4.297 40 0 GIABRN CC1=C(C(=O)O[C@@H]2CC[C@@H](C)[C@@H](C)C2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 ZINC000004066383 570965953 /nfs/dbraw/zinc/96/59/53/570965953.db2.gz SHEGXKQQQJYNOU-XBCDXLOZSA-N 0 0 376.884 4.336 40 0 GIABRN COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1 ZINC000243558051 570987614 /nfs/dbraw/zinc/98/76/14/570987614.db2.gz OKHWXLVJRFBNPP-UHFFFAOYSA-N 0 0 380.488 4.310 40 0 GIABRN O=C([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000585183197 571000151 /nfs/dbraw/zinc/00/01/51/571000151.db2.gz MDYDJKGNWLHPBW-SFHVURJKSA-N 0 0 394.446 4.482 40 0 GIABRN Fc1ccc(Nc2cc(C3CC3)nc(NC3CCCC3)n2)c(Br)c1 ZINC000328963789 571047581 /nfs/dbraw/zinc/04/75/81/571047581.db2.gz BRJWMAXVQQBJSW-UHFFFAOYSA-N 0 0 391.288 4.198 40 0 GIABRN O=C([O-])[C@@H](c1ccc2ccccc2c1)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000002527388 817391909 /nfs/dbraw/zinc/39/19/09/817391909.db2.gz BOEKPKYQMHQNEN-OAQYLSRUSA-N 0 0 380.875 4.441 40 0 GIABRN COc1cc(C)c(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1C(C)C ZINC000005959541 817631920 /nfs/dbraw/zinc/63/19/20/817631920.db2.gz DAIFSLJEJWKCSC-GIJQJNRQSA-N 0 0 392.455 4.079 40 0 GIABRN CCOc1cc(C(=O)Nc2cccc(OC)c2)cc(Br)c1OC ZINC000005980202 817635333 /nfs/dbraw/zinc/63/53/33/817635333.db2.gz HSVWQEPLCMLQNC-UHFFFAOYSA-N 0 0 380.238 4.117 40 0 GIABRN CCCOc1cccc(C(=O)NC(=S)Nc2cccc3cc(O)ccc32)c1 ZINC000006026313 817641348 /nfs/dbraw/zinc/64/13/48/817641348.db2.gz UKPSMNMDUQMNGZ-UHFFFAOYSA-N 0 0 380.469 4.461 40 0 GIABRN Cc1ccc(C(=O)COC(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1C ZINC000006205568 817667360 /nfs/dbraw/zinc/66/73/60/817667360.db2.gz MGZGOIVERPUHRS-UHFFFAOYSA-N 0 0 399.450 4.136 40 0 GIABRN CCCCc1ccc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000006323627 817676213 /nfs/dbraw/zinc/67/62/13/817676213.db2.gz UNBLKDJXEQTQJP-UHFFFAOYSA-N 0 0 388.533 4.051 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)c1 ZINC000006362262 817682767 /nfs/dbraw/zinc/68/27/67/817682767.db2.gz YNHSVNFMUVOXTB-UHFFFAOYSA-N 0 0 394.496 4.367 40 0 GIABRN O=C(Nc1ccccc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000006475611 817696810 /nfs/dbraw/zinc/69/68/10/817696810.db2.gz JQPXVEGNVGEDGI-NRFANRHFSA-N 0 0 378.453 4.306 40 0 GIABRN O=C1c2ccccc2S/C1=C/c1ccc(O)c(I)c1 ZINC000006496334 817698084 /nfs/dbraw/zinc/69/80/84/817698084.db2.gz FWWRCGALPOMNHV-RIYZIHGNSA-N 0 0 380.206 4.326 40 0 GIABRN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4cccnc4Cl)c3)nn12 ZINC000006605244 817707901 /nfs/dbraw/zinc/70/79/01/817707901.db2.gz WYHORQQBNHZBDQ-UHFFFAOYSA-N 0 0 398.879 4.024 40 0 GIABRN CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O ZINC000006629536 817712667 /nfs/dbraw/zinc/71/26/67/817712667.db2.gz CMEYYQAGDPEVEM-GIJQJNRQSA-N 0 0 384.457 4.269 40 0 GIABRN CCCCOC(=O)CN1C(=O)S/C(=C\c2c[nH]c3c2cccc3CC)C1=O ZINC000006650112 817715697 /nfs/dbraw/zinc/71/56/97/817715697.db2.gz YMBOJZOCGLXHSH-YBEGLDIGSA-N 0 0 386.473 4.110 40 0 GIABRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2cn(CC)c3ccccc23)C1=O ZINC000006939097 817727731 /nfs/dbraw/zinc/72/77/31/817727731.db2.gz LUQMHOJHLDAMCE-NWRYFCBHSA-N 0 0 386.473 4.039 40 0 GIABRN CCC[C@@H](C)NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000006945649 817727832 /nfs/dbraw/zinc/72/78/32/817727832.db2.gz NGKKZNILSXEUHD-HXOBKFHXSA-N 0 0 396.556 4.422 40 0 GIABRN CCN1C2=C(C(=O)CCC2)C(c2ccc(OC)cc2OC)C2=C1CCCC2=O ZINC000006953052 817728494 /nfs/dbraw/zinc/72/84/94/817728494.db2.gz BSEQXKBUQCTSQC-UHFFFAOYSA-N 0 0 381.472 4.137 40 0 GIABRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1OC ZINC000006960345 817729090 /nfs/dbraw/zinc/72/90/90/817729090.db2.gz SRILABOEKHOGBE-XDHOZWIPSA-N 0 0 397.452 4.013 40 0 GIABRN Cc1cc(/C=C2/C(=O)Nc3ccccc32)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000006961730 817729615 /nfs/dbraw/zinc/72/96/15/817729615.db2.gz WRGSQGORWXDGCF-XQNSMLJCSA-N 0 0 399.494 4.423 40 0 GIABRN Cc1cccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)n1 ZINC000006968582 817731291 /nfs/dbraw/zinc/73/12/91/817731291.db2.gz MLLSDJMSHCVPHB-OQLLNIDSSA-N 0 0 389.274 4.389 40 0 GIABRN N#C/C(=C/c1cccn1-c1ccc(Br)cc1)C(=O)NC1CCCC1 ZINC000006971142 817732099 /nfs/dbraw/zinc/73/20/99/817732099.db2.gz IBVRCKLPQQJNFD-OWBHPGMISA-N 0 0 384.277 4.206 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)cc1 ZINC000007360900 817823804 /nfs/dbraw/zinc/82/38/04/817823804.db2.gz ONHIADJHLRGGBS-UHFFFAOYSA-N 0 0 394.496 4.367 40 0 GIABRN COc1ccccc1N1CCN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000007504837 817856927 /nfs/dbraw/zinc/85/69/27/817856927.db2.gz CQZDIRUCBPTHKB-GOSISDBHSA-N 0 0 396.531 4.109 40 0 GIABRN O=C(C(=O)N1CCc2ccccc2C1)c1c(-c2ccccc2)cc2ccccn21 ZINC000007604368 817877979 /nfs/dbraw/zinc/87/79/79/817877979.db2.gz GCLDTSADSWUZQJ-UHFFFAOYSA-N 0 0 380.447 4.374 40 0 GIABRN Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc(C)c1Br ZINC000007881845 817949504 /nfs/dbraw/zinc/94/95/04/817949504.db2.gz CNUZYWJQOPVOKE-CQSZACIVSA-N 0 0 387.277 4.058 40 0 GIABRN O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000007882243 817949586 /nfs/dbraw/zinc/94/95/86/817949586.db2.gz FYILYQUIGFJKKS-LLVKDONJSA-N 0 0 382.769 4.350 40 0 GIABRN COc1ccc(N2C[C@@H](C(=O)Oc3ccccc3-c3ccccc3)CC2=O)cc1 ZINC000007928996 817962289 /nfs/dbraw/zinc/96/22/89/817962289.db2.gz IYWAARBDOQKHMT-SFHVURJKSA-N 0 0 387.435 4.321 40 0 GIABRN CCOc1ccccc1N1C[C@@H](C(=O)Oc2ccc(C(C)(C)C)cc2)CC1=O ZINC000007929364 817962822 /nfs/dbraw/zinc/96/28/22/817962822.db2.gz HEJROHKBRFZRRI-INIZCTEOSA-N 0 0 381.472 4.341 40 0 GIABRN CCc1cc(Br)ccc1NC(=O)COC(=O)/C=C/c1ccccc1 ZINC000007939903 817965236 /nfs/dbraw/zinc/96/52/36/817965236.db2.gz RBBVIFKXCFVOKL-DHZHZOJOSA-N 0 0 388.261 4.207 40 0 GIABRN O=C(CSc1ncn(-c2ccccc2)n1)Nc1cccc(Cl)c1Cl ZINC000011475057 818085290 /nfs/dbraw/zinc/08/52/90/818085290.db2.gz NZCUZZYRHRJXFN-UHFFFAOYSA-N 0 0 379.272 4.305 40 0 GIABRN CCc1nnsc1C(=O)N1CCC(c2cc(-c3ccccc3)cc(C)n2)CC1 ZINC000019691417 818598819 /nfs/dbraw/zinc/59/88/19/818598819.db2.gz VSPBRUGKLUHBCB-UHFFFAOYSA-N 0 0 392.528 4.491 40 0 GIABRN Cc1ccc2c(CC(=O)Nc3cccc([C@@H]4CCc5nncn5C4)c3)coc2c1 ZINC000019699100 818600124 /nfs/dbraw/zinc/60/01/24/818600124.db2.gz XAPNBTLLMLDZOV-QGZVFWFLSA-N 0 0 386.455 4.244 40 0 GIABRN Cc1cc(Br)cc2sc(NC(=O)C(C)(C)Br)nc21 ZINC000020133127 818614637 /nfs/dbraw/zinc/61/46/37/818614637.db2.gz SJFBGMUGCBTAQE-UHFFFAOYSA-N 0 0 392.116 4.479 40 0 GIABRN CCOc1ccccc1-c1nnc(SCC(=O)N2CCCc3ccccc32)o1 ZINC000021545423 818701960 /nfs/dbraw/zinc/70/19/60/818701960.db2.gz MRZKCXOZGCCCRP-UHFFFAOYSA-N 0 0 395.484 4.207 40 0 GIABRN CCCn1c2nnc(SCc3ccccc3C)n2c2ccc(F)cc2c1=O ZINC000033256530 821055180 /nfs/dbraw/zinc/05/51/80/821055180.db2.gz ZUXXVSWFTRYINM-UHFFFAOYSA-N 0 0 382.464 4.194 40 0 GIABRN COc1cc(C(=S)N2CCOCC2)cc(Cl)c1OCc1ccccc1F ZINC000033788211 821060268 /nfs/dbraw/zinc/06/02/68/821060268.db2.gz CQBNREPVJFMGBH-UHFFFAOYSA-N 0 0 395.883 4.074 40 0 GIABRN Cc1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C ZINC000010313810 230874042 /nfs/dbraw/zinc/87/40/42/230874042.db2.gz MFWLBAIZSZKFRM-HNNXBMFYSA-N 0 0 394.924 4.058 40 0 GIABRN CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(SC)cc2)cc1OCC ZINC000010543987 230875273 /nfs/dbraw/zinc/87/52/73/230875273.db2.gz FZXDFMKHWKOFEY-AWEZNQCLSA-N 0 0 395.546 4.245 40 0 GIABRN COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c(OC)c1 ZINC000021595771 230907833 /nfs/dbraw/zinc/90/78/33/230907833.db2.gz YUJISAYPXONLIP-UHFFFAOYSA-N 0 0 382.441 4.270 40 0 GIABRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1C1CCCCC1 ZINC000106953523 231019119 /nfs/dbraw/zinc/01/91/19/231019119.db2.gz PKRQFTUFNNJHOM-MOSHPQCFSA-N 0 0 377.513 4.380 40 0 GIABRN Cc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)c(I)c1 ZINC000225027073 231032900 /nfs/dbraw/zinc/03/29/00/231032900.db2.gz MSINUOSBGPMENY-LBPRGKRZSA-N 0 0 377.225 4.191 40 0 GIABRN OCc1cc(Br)cc(Br)c1OCc1cccc(F)c1 ZINC000311792188 231045319 /nfs/dbraw/zinc/04/53/19/231045319.db2.gz CCCNHHRPSKILDN-UHFFFAOYSA-N 0 0 390.046 4.422 40 0 GIABRN Cc1ccc(Cl)cc1Nc1cc(-c2ccncc2)nc(N[C@H](CO)C(C)C)n1 ZINC000329062941 231047756 /nfs/dbraw/zinc/04/77/56/231047756.db2.gz XAYPEXOACXFIKQ-LJQANCHMSA-N 0 0 397.910 4.095 40 0 GIABRN Cc1ccc(C)c(NC(=O)CSc2nnc(COc3ccccc3F)o2)c1 ZINC000408528005 231049994 /nfs/dbraw/zinc/04/99/94/231049994.db2.gz QBEXNQUWRPJQSB-UHFFFAOYSA-N 0 0 387.436 4.135 40 0 GIABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(C)cc1 ZINC000408617434 231081613 /nfs/dbraw/zinc/08/16/13/231081613.db2.gz AMHXUUKLVLTWGT-UHFFFAOYSA-N 0 0 393.306 4.201 40 0 GIABRN Cc1cc(S(=O)(=O)Nc2ccccc2F)ccc1NC(=O)c1ccccc1 ZINC000408618933 231082165 /nfs/dbraw/zinc/08/21/65/231082165.db2.gz GVDWHGRHMLGXKL-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN O=c1[nH]c(CSc2nnc(C34CC5CC(CC(C5)C3)C4)o2)nc2ccccc21 ZINC000408582401 231066832 /nfs/dbraw/zinc/06/68/32/231066832.db2.gz NUCYICMXTGCMSX-UHFFFAOYSA-N 0 0 394.500 4.479 40 0 GIABRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1C ZINC000408681780 231094477 /nfs/dbraw/zinc/09/44/77/231094477.db2.gz STJXDUNGEXYZCY-SFHVURJKSA-N 0 0 380.488 4.336 40 0 GIABRN O=C(NC1CC1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408703384 231099117 /nfs/dbraw/zinc/09/91/17/231099117.db2.gz FOJRGBJZDDIHRI-HXUWFJFHSA-N 0 0 386.904 4.006 40 0 GIABRN Cc1cc(NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1Br ZINC000408709051 231102103 /nfs/dbraw/zinc/10/21/03/231102103.db2.gz ONBHFECGNSKHEZ-UHFFFAOYSA-N 0 0 389.293 4.136 40 0 GIABRN Cc1cccc(NC(=O)CN2c3ccc(C)cc3-c3ccccc3S2(=O)=O)c1 ZINC000408623223 231085076 /nfs/dbraw/zinc/08/50/76/231085076.db2.gz DWJPMRTVSJKJQP-UHFFFAOYSA-N 0 0 392.480 4.118 40 0 GIABRN Cc1cc2sc(NC(=S)NC(=O)COc3ccccc3C)nc2c(C)c1 ZINC000408628234 231088039 /nfs/dbraw/zinc/08/80/39/231088039.db2.gz RFVPXRUCXXDGHQ-UHFFFAOYSA-N 0 0 385.514 4.114 40 0 GIABRN Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1cccs1 ZINC000408644858 231091462 /nfs/dbraw/zinc/09/14/62/231091462.db2.gz IMQIYIKAWQBBPM-UHFFFAOYSA-N 0 0 388.670 4.268 40 0 GIABRN Cc1cccc(C2=N/C(=C/c3ccccc3OC(=O)Cc3ccccc3)C(=O)O2)c1 ZINC000408841907 231120921 /nfs/dbraw/zinc/12/09/21/231120921.db2.gz IPCRLHZZBIYEOR-LTGZKZEYSA-N 0 0 397.430 4.488 40 0 GIABRN O=C(c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)N1CCCCC1 ZINC000408973961 231139129 /nfs/dbraw/zinc/13/91/29/231139129.db2.gz RSSLPUWSZRVNGM-QHCPKHFHSA-N 0 0 394.540 4.129 40 0 GIABRN O=c1[nH]c(-c2ccc(N3CCOCC3)o2)nc2sc3c(c21)CCCCCC3 ZINC000408988446 231141999 /nfs/dbraw/zinc/14/19/99/231141999.db2.gz HZQQBMJIMMMEGH-UHFFFAOYSA-N 0 0 385.489 4.153 40 0 GIABRN COCCn1c(C)cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)c1C ZINC000409134111 231169351 /nfs/dbraw/zinc/16/93/51/231169351.db2.gz OYYNLPIENUEVTO-HKWRFOASSA-N 0 0 398.528 4.420 40 0 GIABRN Cc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O ZINC000409154435 231172323 /nfs/dbraw/zinc/17/23/23/231172323.db2.gz ARJISWOVODLKOQ-GZTJUZNOSA-N 0 0 380.469 4.287 40 0 GIABRN O=Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3cccc(Cl)c3)cc2)o1 ZINC000409176643 231174798 /nfs/dbraw/zinc/17/47/98/231174798.db2.gz UCZPCSXJNNVWEW-UHFFFAOYSA-N 0 0 383.787 4.208 40 0 GIABRN O=C(Cn1ccsc1=NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000409205500 231180061 /nfs/dbraw/zinc/18/00/61/231180061.db2.gz OANLFAZAOBMAFH-UZYVYHOESA-N 0 0 391.279 4.480 40 0 GIABRN Cc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1C ZINC000409222189 231183448 /nfs/dbraw/zinc/18/34/48/231183448.db2.gz CGOYHNYOOOCVCW-UHFFFAOYSA-N 0 0 385.407 4.125 40 0 GIABRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)c(C)c1 ZINC000409374492 231196295 /nfs/dbraw/zinc/19/62/95/231196295.db2.gz RAHBYNNBFGNLPT-LICLKQGHSA-N 0 0 398.459 4.426 40 0 GIABRN Cc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)cc1C ZINC000409409607 231201624 /nfs/dbraw/zinc/20/16/24/231201624.db2.gz ITBCABYANYGAGW-QGZVFWFLSA-N 0 0 388.533 4.220 40 0 GIABRN Cc1ccc(N([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)cc1 ZINC000409410937 231201902 /nfs/dbraw/zinc/20/19/02/231201902.db2.gz ASWWWCHVBDHPHI-QGZVFWFLSA-N 0 0 388.533 4.220 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 ZINC000223754070 222642390 /nfs/dbraw/zinc/64/23/90/222642390.db2.gz LTIRDFOATUGJRK-KRWDZBQOSA-N 0 0 386.923 4.134 40 0 GIABRN O=C(COc1cccnc1)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257225197 222756598 /nfs/dbraw/zinc/75/65/98/222756598.db2.gz FFGOHLXYSRMVBA-IBGZPJMESA-N 0 0 397.862 4.056 40 0 GIABRN CCC(CC)C(=O)N1CCC(Cc2cccc(-c3cccs3)c2)(C(N)=O)CC1 ZINC000257236367 222760584 /nfs/dbraw/zinc/76/05/84/222760584.db2.gz HBUYHJZFSUEVTI-UHFFFAOYSA-N 0 0 398.572 4.488 40 0 GIABRN Fc1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)c(F)c1F ZINC000328960582 222805751 /nfs/dbraw/zinc/80/57/51/222805751.db2.gz AZGZUPUJEJMVPS-UHFFFAOYSA-N 0 0 399.420 4.288 40 0 GIABRN CN(Cc1ccnn1C)C(=O)c1sc2cc(OC(F)F)ccc2c1Cl ZINC000002793666 209116684 /nfs/dbraw/zinc/11/66/84/209116684.db2.gz LIRBKIVQXMAROO-UHFFFAOYSA-N 0 0 385.823 4.162 40 0 GIABRN O=C1NC(=O)C(c2c[nH]c3cc(Cl)ccc23)=C1c1c[nH]c2cc(F)ccc12 ZINC000071257736 209111640 /nfs/dbraw/zinc/11/16/40/209111640.db2.gz CUOJVUVSXXVSLF-UHFFFAOYSA-N 0 0 379.778 4.009 40 0 GIABRN Fc1cc(Nc2cc(-c3ccccc3)nc(NC3CC3)n2)ccc1Br ZINC000329070913 206244017 /nfs/dbraw/zinc/24/40/17/206244017.db2.gz ZLBMXSFJWPXPNZ-UHFFFAOYSA-N 0 0 399.267 4.207 40 0 GIABRN Cc1ccc(Nc2cc(-c3cccnc3)nc(N[C@@H](CO)C(C)C)n2)c(Cl)c1 ZINC000329069386 206244816 /nfs/dbraw/zinc/24/48/16/206244816.db2.gz YWNUIJIHQSXLND-IBGZPJMESA-N 0 0 397.910 4.095 40 0 GIABRN Cc1ccc(C)c(Nc2cc(-c3ccccc3)nc(N[C@H](CO)C(C)C)n2)c1 ZINC000328993755 206238867 /nfs/dbraw/zinc/23/88/67/206238867.db2.gz JBCUPCAMFSNPEY-OAQYLSRUSA-N 0 0 376.504 4.355 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Cl)cc2)cc(-c2ccccn2)n1 ZINC000328982928 206240123 /nfs/dbraw/zinc/24/01/23/206240123.db2.gz HDXMBFYSYBNYSR-GOSISDBHSA-N 0 0 383.883 4.364 40 0 GIABRN CNc1nc(Nc2cccc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329029176 206240698 /nfs/dbraw/zinc/24/06/98/206240698.db2.gz PXWKEYJXMDSNBF-UHFFFAOYSA-N 0 0 394.784 4.325 40 0 GIABRN CC(C)Nc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(C2CC2)n1 ZINC000329016437 206240851 /nfs/dbraw/zinc/24/08/51/206240851.db2.gz NGKKXEHYXSPBMZ-UHFFFAOYSA-N 0 0 386.805 4.314 40 0 GIABRN Clc1ccc(NN=c2cc(-c3ccccn3)nc(NC3CC3)[nH]2)c(Cl)c1 ZINC000329005940 206241147 /nfs/dbraw/zinc/24/11/47/206241147.db2.gz LAWBGBRVTUBOJN-UHFFFAOYSA-N 0 0 387.274 4.281 40 0 GIABRN Clc1cccc(CNc2cc(-c3cccnc3)nc(NC3CCCC3)n2)c1 ZINC000329049043 206241959 /nfs/dbraw/zinc/24/19/59/206241959.db2.gz UMRMJUCLLYUKSH-UHFFFAOYSA-N 0 0 379.895 4.002 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccn2)n1 ZINC000329040796 206242237 /nfs/dbraw/zinc/24/22/37/206242237.db2.gz SFSVKICBVCMRKA-ZDUSSCGKSA-N 0 0 387.409 4.355 40 0 GIABRN CCOc1cc(C(N)=O)cc(Br)c1OCc1ccccc1Cl ZINC000216835842 206254456 /nfs/dbraw/zinc/25/44/56/206254456.db2.gz VHOPECKYSANFSA-UHFFFAOYSA-N 0 0 384.657 4.179 40 0 GIABRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(Br)c(Cl)c1 ZINC000225593680 206258434 /nfs/dbraw/zinc/25/84/34/206258434.db2.gz NMFQHKAQAYEXQI-UHFFFAOYSA-N 0 0 378.650 4.351 40 0 GIABRN COc1ccc(S(=O)(=O)NCc2ccc(C(C)C)cc2)cc1Br ZINC000223729304 206259273 /nfs/dbraw/zinc/25/92/73/206259273.db2.gz AASWNRJHZMJBTO-UHFFFAOYSA-N 0 0 398.322 4.060 40 0 GIABRN CCC(C)(C)NC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)C(C)(C)O2 ZINC000004965844 206260030 /nfs/dbraw/zinc/26/00/30/206260030.db2.gz POAVDJXBQVMXLR-UHFFFAOYSA-N 0 0 398.478 4.448 40 0 GIABRN CCN(CC)C(=O)c1cccc(Nc2ccc(-c3ccccc3OC)nn2)c1 ZINC000004859043 206261177 /nfs/dbraw/zinc/26/11/77/206261177.db2.gz VHNDALWASAQXAJ-UHFFFAOYSA-N 0 0 376.460 4.378 40 0 GIABRN O=C(c1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)N1CCOCC1 ZINC000041127550 206263562 /nfs/dbraw/zinc/26/35/62/206263562.db2.gz IFCNQCSWGFXXTB-UHFFFAOYSA-N 0 0 377.227 4.274 40 0 GIABRN CCOC(=O)[C@H]1CC(=O)N(c2cccc(-c3nc4cc(Cl)ccc4o3)c2)C1 ZINC000045887110 206263809 /nfs/dbraw/zinc/26/38/09/206263809.db2.gz MKRNTPWCMIOKMD-ZDUSSCGKSA-N 0 0 384.819 4.064 40 0 GIABRN CCOC(=O)[C@H]1CC(=O)N(c2ccc(-c3nc4ccccc4s3)cc2C)C1 ZINC000045886969 206263971 /nfs/dbraw/zinc/26/39/71/206263971.db2.gz GARFYKSKUAHFGA-HNNXBMFYSA-N 0 0 380.469 4.188 40 0 GIABRN O=C(Nc1cnn(Cc2ccccc2F)c1)[C@@H](c1ccccc1)N1CCCCC1 ZINC000035322710 206264056 /nfs/dbraw/zinc/26/40/56/206264056.db2.gz CYWRYDDWRQZQPC-JOCHJYFZSA-N 0 0 392.478 4.236 40 0 GIABRN COc1ccc(C(=O)Nc2c(C)cc3[nH]c(=NN)sc3c2C)cc1Cl ZINC000045889572 206264378 /nfs/dbraw/zinc/26/43/78/206264378.db2.gz HSCSUZGRZJRJRL-UHFFFAOYSA-N 0 0 376.869 4.113 40 0 GIABRN CCOC(=O)[C@H]1CC(=O)N(c2cccc(-c3nc4cc(Cl)ccc4o3)c2C)C1 ZINC000045887258 206264589 /nfs/dbraw/zinc/26/45/89/206264589.db2.gz XPIAMCAKPFUBEF-ZDUSSCGKSA-N 0 0 398.846 4.373 40 0 GIABRN CCc1cc(NC(N)=S)cc(C)c1NC(=O)c1cccc(Br)c1 ZINC000045891096 206263236 /nfs/dbraw/zinc/26/32/36/206263236.db2.gz FMHFVPYEHUSOAT-UHFFFAOYSA-N 0 0 392.322 4.228 40 0 GIABRN O=C(c1ccccc1)N1C[C@H](COc2ccccc2)O[C@H](c2cccs2)O1 ZINC000000710009 206318083 /nfs/dbraw/zinc/31/80/83/206318083.db2.gz QKOUIVDGEKTHKD-NQIIRXRSSA-N 0 0 381.453 4.299 40 0 GIABRN Fc1cc(F)c([C@H]2SCCN2C(=S)NCCc2ccccc2)c(F)c1 ZINC000000716950 206319400 /nfs/dbraw/zinc/31/94/00/206319400.db2.gz DUMIKGQXEOKGCD-QGZVFWFLSA-N 0 0 382.476 4.269 40 0 GIABRN O=C(c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F)N1CCCCC1 ZINC000000866020 206328607 /nfs/dbraw/zinc/32/86/07/206328607.db2.gz WHCQOICYHPFYHM-JKSUJKDBSA-N 0 0 396.388 4.309 40 0 GIABRN COc1ccc(/N=c2\scc(-c3ccccc3OC(F)F)n2CCO)cc1 ZINC000001009659 206341096 /nfs/dbraw/zinc/34/10/96/206341096.db2.gz NXXFIUBUFIETQU-QOCHGBHMSA-N 0 0 392.427 4.051 40 0 GIABRN CCc1cc(I)ccc1NC(=O)c1cccnc1Cl ZINC000001311715 206371345 /nfs/dbraw/zinc/37/13/45/206371345.db2.gz ITONYOCTQCYXBH-UHFFFAOYSA-N 0 0 386.620 4.154 40 0 GIABRN O=C(CSc1nc(C2CC2)nc2ccccc21)N1CCc2ccccc2C1 ZINC000001332651 206373058 /nfs/dbraw/zinc/37/30/58/206373058.db2.gz NTUMBELBAQEIRB-UHFFFAOYSA-N 0 0 375.497 4.184 40 0 GIABRN CCCOc1cccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)c1 ZINC000001840106 206393760 /nfs/dbraw/zinc/39/37/60/206393760.db2.gz QGUIYIKMVMCCEI-UHFFFAOYSA-N 0 0 389.477 4.351 40 0 GIABRN COc1cc([C@H](C)S(=O)(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000002044672 206395740 /nfs/dbraw/zinc/39/57/40/206395740.db2.gz YXOJHGOHMFBDPY-INIZCTEOSA-N 0 0 396.464 4.449 40 0 GIABRN Cc1ccc(C(=O)Oc2ccc(CCN3C(=O)c4ccccc4C3=O)cc2)cc1C ZINC000004422488 206520109 /nfs/dbraw/zinc/52/01/09/206520109.db2.gz JPUAPHCYUPDHDC-UHFFFAOYSA-N 0 0 399.446 4.361 40 0 GIABRN O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1cc(Cl)cc(Cl)c1 ZINC000004716457 206546417 /nfs/dbraw/zinc/54/64/17/206546417.db2.gz RSIIYWZFDXUMGU-UHFFFAOYSA-N 0 0 393.116 4.457 40 0 GIABRN S=c1n(CN2CCCCC2)nc(COc2ccccc2)n1-c1ccccc1 ZINC000005589988 206620304 /nfs/dbraw/zinc/62/03/04/206620304.db2.gz GGZRKEWISGWXRV-UHFFFAOYSA-N 0 0 380.517 4.426 40 0 GIABRN O=C(CSc1nnc(-c2cccnc2)o1)Nc1cccc(Cl)c1Cl ZINC000006100418 206638469 /nfs/dbraw/zinc/63/84/69/206638469.db2.gz LAYVCMJXERVBEV-UHFFFAOYSA-N 0 0 381.244 4.169 40 0 GIABRN COc1ccc(-c2ccnc(SC(=O)c3ccc(OC)c(OC)c3)n2)cc1 ZINC000006182095 206643433 /nfs/dbraw/zinc/64/34/33/206643433.db2.gz HDYVNADCIIQYCX-UHFFFAOYSA-N 0 0 382.441 4.102 40 0 GIABRN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)COCc1cc(-c3ccc(F)cc3)on1)C2 ZINC000006876417 206689472 /nfs/dbraw/zinc/68/94/72/206689472.db2.gz GODKQIZZFLFZQP-AVRDEDQJSA-N 0 0 386.467 4.425 40 0 GIABRN CC(=O)[C@]1(c2ccccc2)N(C(=O)c2ccccc2)[C@@]1(C)C(=O)c1ccccc1 ZINC000008653081 206758497 /nfs/dbraw/zinc/75/84/97/206758497.db2.gz VLXVKEBXCMSSFW-LHJLODMPSA-N 0 0 383.447 4.269 40 0 GIABRN C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3ccccc3F)cc2N1 ZINC000012181404 206864618 /nfs/dbraw/zinc/86/46/18/206864618.db2.gz GSEURTYBVCFJFY-HFBAOOFYSA-N 0 0 396.388 4.307 40 0 GIABRN Cc1cc(C(C)(C)C)oc1C(=O)N1CCC(n2c(=O)oc3ccccc32)CC1 ZINC000012184626 206866935 /nfs/dbraw/zinc/86/69/35/206866935.db2.gz FOUCAQHYDHYHTR-UHFFFAOYSA-N 0 0 382.460 4.271 40 0 GIABRN Cc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)sc1C ZINC000012255902 206876001 /nfs/dbraw/zinc/87/60/01/206876001.db2.gz BKVPCAUYJXBXTO-MRXNPFEDSA-N 0 0 393.512 4.032 40 0 GIABRN O[C@H]1c2cc(-c3ccc(F)cc3)cnc2Sc2nc(-c3ccccc3)nn21 ZINC000012336923 206887055 /nfs/dbraw/zinc/88/70/55/206887055.db2.gz CIRSYWYVOKQAAW-IBGZPJMESA-N 0 0 376.416 4.150 40 0 GIABRN Cc1ccc(CC(=O)Nc2ccc(I)cc2C)cc1C ZINC000013678224 206988228 /nfs/dbraw/zinc/98/82/28/206988228.db2.gz LTCHDBUOVPTFQJ-UHFFFAOYSA-N 0 0 379.241 4.398 40 0 GIABRN CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2ccccc21 ZINC000013685386 206989825 /nfs/dbraw/zinc/98/98/25/206989825.db2.gz QIVJRDRNBBOMTI-MRXNPFEDSA-N 0 0 376.456 4.384 40 0 GIABRN Cn1c(COc2ccccc2)nnc1SCc1ccc(Br)cc1 ZINC000014087524 207009412 /nfs/dbraw/zinc/00/94/12/207009412.db2.gz RSBGGXXHFVHHGP-UHFFFAOYSA-N 0 0 390.306 4.449 40 0 GIABRN O=C(CCc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000014704069 207025806 /nfs/dbraw/zinc/02/58/06/207025806.db2.gz AVPAKSSUTHSEAO-UHFFFAOYSA-N 0 0 382.847 4.434 40 0 GIABRN CCOC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000014908752 207030574 /nfs/dbraw/zinc/03/05/74/207030574.db2.gz ZEBNQAGFKFOKDL-GFCCVEGCSA-N 0 0 392.249 4.032 40 0 GIABRN Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(Cc2ccccc2Cl)n1 ZINC000036611594 207047546 /nfs/dbraw/zinc/04/75/46/207047546.db2.gz XZLDUNPKETWTNZ-UHFFFAOYSA-N 0 0 380.883 4.003 40 0 GIABRN Cc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c1 ZINC000015352043 207049781 /nfs/dbraw/zinc/04/97/81/207049781.db2.gz XPYZEFQGZYXDPB-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN Cc1sc2nc(SCC(=O)c3ccccc3Cl)n(C)c(=O)c2c1C ZINC000016755695 207078153 /nfs/dbraw/zinc/07/81/53/207078153.db2.gz JITWNLQQLHHBEF-UHFFFAOYSA-N 0 0 378.906 4.240 40 0 GIABRN COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000017970426 207090433 /nfs/dbraw/zinc/09/04/33/207090433.db2.gz QRULHYKRLXJDMG-QWHCGFSZSA-N 0 0 378.266 4.102 40 0 GIABRN Cc1cccc(CN(Cc2ccccc2)C(=O)CCn2ncc3c2CCCC3)n1 ZINC000019236108 207109977 /nfs/dbraw/zinc/10/99/77/207109977.db2.gz CBNSBTWHZUYDGE-UHFFFAOYSA-N 0 0 388.515 4.084 40 0 GIABRN CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)CC3CCCC3)CC2)C1 ZINC000019019794 207101362 /nfs/dbraw/zinc/10/13/62/207101362.db2.gz VQEPLVMECCQFQY-UHFFFAOYSA-N 0 0 398.547 4.148 40 0 GIABRN CNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)C(C)(C)C)C1 ZINC000019081162 207102892 /nfs/dbraw/zinc/10/28/92/207102892.db2.gz LKSAYUJVABDIDR-HSZRJFAPSA-N 0 0 398.572 4.359 40 0 GIABRN COc1ccccc1CN1CCC[C@H]1c1cc2nc(C)cc(C(F)(F)F)n2n1 ZINC000019116929 207103328 /nfs/dbraw/zinc/10/33/28/207103328.db2.gz OTOGRQSVJVBLKE-INIZCTEOSA-N 0 0 390.409 4.402 40 0 GIABRN Cc1noc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)Cc2ccccc2C)c1C ZINC000019237078 207110479 /nfs/dbraw/zinc/11/04/79/207110479.db2.gz DIWQEJIMQZIWJB-HXUWFJFHSA-N 0 0 392.503 4.297 40 0 GIABRN Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)[C@H]3CC=CCC3)cc2)on1 ZINC000019123787 207104293 /nfs/dbraw/zinc/10/42/93/207104293.db2.gz SEMJAUBFQZUPFU-IBGZPJMESA-N 0 0 388.471 4.388 40 0 GIABRN COc1cc(C)ccc1CN1CCCC[C@@H]1c1cc(=O)[nH]c(-c2ccncc2)n1 ZINC000019134039 207104692 /nfs/dbraw/zinc/10/46/92/207104692.db2.gz DPQSMUWHDBKORN-HXUWFJFHSA-N 0 0 390.487 4.288 40 0 GIABRN Cc1cc2nccc([C@H]3CCCN3C(=O)COc3ccc(C(C)(C)C)cc3)n2n1 ZINC000019130718 207105187 /nfs/dbraw/zinc/10/51/87/207105187.db2.gz VMFBPEWLSXMCRL-LJQANCHMSA-N 0 0 392.503 4.078 40 0 GIABRN Cc1ccc(CC(=O)N2CCC[C@@H]2c2ccnc3cc(C(C)(C)C)nn32)cc1 ZINC000019209570 207105457 /nfs/dbraw/zinc/10/54/57/207105457.db2.gz PUKIQDICDJYTHL-GOSISDBHSA-N 0 0 376.504 4.241 40 0 GIABRN Cc1ccc(-c2ccccc2C[C@H]2CN(C(=O)c3ccccc3)CCNC2=O)cc1 ZINC000019212904 207107392 /nfs/dbraw/zinc/10/73/92/207107392.db2.gz YLGRIGFRDNAXCU-QHCPKHFHSA-N 0 0 398.506 4.093 40 0 GIABRN Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3nnc(-c4ccccn4)o3)coc2c1 ZINC000019221620 207107904 /nfs/dbraw/zinc/10/79/04/207107904.db2.gz GGGIZANNZQBKJC-GOSISDBHSA-N 0 0 388.427 4.092 40 0 GIABRN Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)[C@H](C)Cc3cccs3)CC1)O2 ZINC000019218100 207107995 /nfs/dbraw/zinc/10/79/95/207107995.db2.gz DLRQUTVKQPKDHH-MRXNPFEDSA-N 0 0 383.513 4.262 40 0 GIABRN Cc1ccc(CCNC(=O)c2cc(C3CCOCC3)c3cnccc3n2)cc1C ZINC000019213905 207108016 /nfs/dbraw/zinc/10/80/16/207108016.db2.gz LKHZZYXRKIEWJA-UHFFFAOYSA-N 0 0 389.499 4.113 40 0 GIABRN COc1cccc(CN2CCC[C@@H]2c2nnc(-c3ccc(C)s3)o2)c1OC ZINC000019217747 207108034 /nfs/dbraw/zinc/10/80/34/207108034.db2.gz VWCHDQGANANCKL-OAHLLOKOSA-N 0 0 385.489 4.461 40 0 GIABRN COc1ccccc1-c1cc(C(=O)N2CCc3[nH]c4c(cccc4C)c3C2)[nH]n1 ZINC000019236577 207109259 /nfs/dbraw/zinc/10/92/59/207109259.db2.gz UDSHOUDXPIKVPA-UHFFFAOYSA-N 0 0 386.455 4.074 40 0 GIABRN O=C(Cc1ccccc1)N1CCC(c2nnc(-c3nccc4ccccc43)o2)CC1 ZINC000019370137 207120715 /nfs/dbraw/zinc/12/07/15/207120715.db2.gz WRVJVZFFOULTEW-UHFFFAOYSA-N 0 0 398.466 4.234 40 0 GIABRN Cn1ccnc1-c1nc(NCCCc2ccccn2)ncc1-c1ccc(F)cc1 ZINC000019291665 207114223 /nfs/dbraw/zinc/11/42/23/207114223.db2.gz BBBDZKNPIPLGAX-UHFFFAOYSA-N 0 0 388.450 4.123 40 0 GIABRN O=C(c1cccnc1)C1CCN(Cc2c3cccnc3[nH]c2C(F)(F)F)CC1 ZINC000019337286 207115884 /nfs/dbraw/zinc/11/58/84/207115884.db2.gz WWBXYOUKQLQATR-UHFFFAOYSA-N 0 0 388.393 4.072 40 0 GIABRN O=C(c1cc2c(cccc2F)[nH]1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 ZINC000019345271 207116373 /nfs/dbraw/zinc/11/63/73/207116373.db2.gz CKSTVFJBDCPDSB-LBPRGKRZSA-N 0 0 396.447 4.438 40 0 GIABRN O=C(C1CCCCC1)N1CCNC(=O)[C@H](Cc2ccccc2-c2cccs2)C1 ZINC000019348555 207117581 /nfs/dbraw/zinc/11/75/81/207117581.db2.gz HFJBDYRLUFDFOQ-LJQANCHMSA-N 0 0 396.556 4.113 40 0 GIABRN O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1cccc(Cn2cccn2)c1 ZINC000019350049 207117748 /nfs/dbraw/zinc/11/77/48/207117748.db2.gz ZTKANHWEGJJQQD-FQEVSTJZSA-N 0 0 391.471 4.132 40 0 GIABRN O=C(C1CCC1)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 ZINC000019373273 207119600 /nfs/dbraw/zinc/11/96/00/207119600.db2.gz CQOHFWQNIXAOEO-LJQANCHMSA-N 0 0 399.498 4.398 40 0 GIABRN O=C(C1CC1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000019373162 207120329 /nfs/dbraw/zinc/12/03/29/207120329.db2.gz ZZVIFZJXXSRIDF-FQEVSTJZSA-N 0 0 385.471 4.356 40 0 GIABRN CC(C)c1nccn1-c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OCO3)cc1 ZINC000019454507 207124083 /nfs/dbraw/zinc/12/40/83/207124083.db2.gz HCSPMGGXIDYISD-HNNXBMFYSA-N 0 0 393.443 4.130 40 0 GIABRN CC(C)c1nc2ccc(NC(=O)c3ccoc3CN3CCOCC3)cc2s1 ZINC000019453865 207124229 /nfs/dbraw/zinc/12/42/29/207124229.db2.gz UKNHNDRTISCBOO-UHFFFAOYSA-N 0 0 385.489 4.097 40 0 GIABRN CCC(=O)N1CCC[C@@](Cc2ccc(-c3ccccc3)cc2)(C(=O)N(C)C)C1 ZINC000019498589 207125221 /nfs/dbraw/zinc/12/52/21/207125221.db2.gz KRPXXWYDVVKCID-DEOSSOPVSA-N 0 0 378.516 4.003 40 0 GIABRN CCC(=O)N1CCC[C@@](Cc2ccccc2-c2cccs2)(C(=O)N(C)C)C1 ZINC000019498671 207125577 /nfs/dbraw/zinc/12/55/77/207125577.db2.gz HLGPAJNSIXUBAH-QFIPXVFZSA-N 0 0 384.545 4.065 40 0 GIABRN CCC[C@H](C)C(=O)N1Cc2ccccc2OC2(CCC(N(C)C(C)=O)CC2)C1 ZINC000019501835 207127603 /nfs/dbraw/zinc/12/76/03/207127603.db2.gz KOCNWCPKVMEGEH-JVPSVYLMSA-N 0 0 386.536 4.004 40 0 GIABRN CC(C)CC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)C1 ZINC000019446206 207120920 /nfs/dbraw/zinc/12/09/20/207120920.db2.gz BVUKSHZZQHALPI-RUZDIDTESA-N 0 0 392.543 4.249 40 0 GIABRN CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)CC(C)C)C1 ZINC000019446329 207121101 /nfs/dbraw/zinc/12/11/01/207121101.db2.gz VSYIHTHVOPVKNV-QHCPKHFHSA-N 0 0 398.572 4.359 40 0 GIABRN COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)CCC1CCCC1 ZINC000019570927 207136236 /nfs/dbraw/zinc/13/62/36/207136236.db2.gz TYTXTYGBPPHBJY-FQEVSTJZSA-N 0 0 381.520 4.404 40 0 GIABRN COc1ccccc1-c1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1Cc1cccnc1 ZINC000019571568 207136286 /nfs/dbraw/zinc/13/62/86/207136286.db2.gz RYNGMXFDWNQYJK-LAUBAEHRSA-N 0 0 397.482 4.062 40 0 GIABRN Cc1n[nH]c(C)c1Cc1c(C)onc1C(=O)N[C@H](C)c1nc2ccccc2s1 ZINC000019579088 207138859 /nfs/dbraw/zinc/13/88/59/207138859.db2.gz QEHZEUQHOGANCE-GFCCVEGCSA-N 0 0 395.488 4.014 40 0 GIABRN Cc1nc2ccc(Cl)cn2c1C(=O)N1CCC(Oc2ccccc2F)CC1 ZINC000019554906 207133025 /nfs/dbraw/zinc/13/30/25/207133025.db2.gz FWOPSYCXESYLDH-UHFFFAOYSA-N 0 0 387.842 4.119 40 0 GIABRN Cc1cc(Nc2cccc(C(=O)Nc3cccc(-n4cccn4)c3)c2)nc(C)n1 ZINC000019662123 207147178 /nfs/dbraw/zinc/14/71/78/207147178.db2.gz YMEMNGWRCQZZQD-UHFFFAOYSA-N 0 0 384.443 4.275 40 0 GIABRN O=C(CN1CCC[C@@H](c2ccc(-c3ccccn3)cn2)C1)Nc1ccc(F)cc1 ZINC000019688669 207148565 /nfs/dbraw/zinc/14/85/65/207148565.db2.gz JORFGIKYBDLKFP-GOSISDBHSA-N 0 0 390.462 4.101 40 0 GIABRN CN(C)Cc1cc([C@H]2CCCCN2C(=O)C2(c3ccccc3)CCCC2)nn1C ZINC000019709127 207149829 /nfs/dbraw/zinc/14/98/29/207149829.db2.gz QEGLENGJRJNASB-JOCHJYFZSA-N 0 0 394.563 4.047 40 0 GIABRN CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)C2CCC2)C1 ZINC000019591028 207141413 /nfs/dbraw/zinc/14/14/13/207141413.db2.gz YVIQAWVKQKDNKE-RUZDIDTESA-N 0 0 390.527 4.051 40 0 GIABRN CNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)C2CCC2)C1 ZINC000019591029 207142021 /nfs/dbraw/zinc/14/20/21/207142021.db2.gz YVIQAWVKQKDNKE-VWLOTQADSA-N 0 0 390.527 4.051 40 0 GIABRN CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CCCC2)C1 ZINC000019591395 207142840 /nfs/dbraw/zinc/14/28/40/207142840.db2.gz MULCDAYHMKGOFU-VWLOTQADSA-N 0 0 390.527 4.051 40 0 GIABRN CN1CCN(C(=O)c2ccccc2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000019589612 207142845 /nfs/dbraw/zinc/14/28/45/207142845.db2.gz XYHRERATEAGDOV-QHCPKHFHSA-N 0 0 398.506 4.127 40 0 GIABRN Cc1cccc(-c2noc(CCC(=O)Nc3nc(-c4ccccn4)cs3)n2)c1 ZINC000019656230 207146291 /nfs/dbraw/zinc/14/62/91/207146291.db2.gz WTEPQCCKVLYKLJ-UHFFFAOYSA-N 0 0 391.456 4.135 40 0 GIABRN Cc1cc(C)n(Cc2cccc(CNC(=O)c3ccc4c(c3)c(C)cn4C)c2)n1 ZINC000019663055 207146859 /nfs/dbraw/zinc/14/68/59/207146859.db2.gz ZJSZOSIRYYGYKY-UHFFFAOYSA-N 0 0 386.499 4.278 40 0 GIABRN CNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C(C)C)CC1 ZINC000019700418 207151219 /nfs/dbraw/zinc/15/12/19/207151219.db2.gz NYDAKTHCAWNXSN-UHFFFAOYSA-N 0 0 396.506 4.046 40 0 GIABRN COc1cccc([C@@H]2CCCN2C(=O)c2cc(COc3ccccc3F)on2)c1 ZINC000019714679 207152217 /nfs/dbraw/zinc/15/22/17/207152217.db2.gz ZYSRNGIGTHHQAS-FQEVSTJZSA-N 0 0 396.418 4.379 40 0 GIABRN Cn1cnc2ccc(NC(=O)CCCc3nc4cc(Cl)ccc4n3C)cc21 ZINC000019714230 207152230 /nfs/dbraw/zinc/15/22/30/207152230.db2.gz NXLRWPKOQUBBNR-UHFFFAOYSA-N 0 0 381.867 4.075 40 0 GIABRN Cn1c(CCC(=O)NCC(C)(C)c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC000019714209 207152953 /nfs/dbraw/zinc/15/29/53/207152953.db2.gz HAVFCRVLFAPYEH-UHFFFAOYSA-N 0 0 387.886 4.392 40 0 GIABRN C[C@@H](Oc1ccccc1)c1nnc(NC(=O)c2cn3cc(Cl)ccc3n2)s1 ZINC000019716762 207153788 /nfs/dbraw/zinc/15/37/88/207153788.db2.gz WWYINEJYHQCUEZ-LLVKDONJSA-N 0 0 399.863 4.232 40 0 GIABRN CCc1nc2ccccc2n1[C@@H](C)C(=O)NCc1ccccc1N1CCCC1 ZINC000019718459 207155166 /nfs/dbraw/zinc/15/51/66/207155166.db2.gz MULVJPIAZLZJLF-KRWDZBQOSA-N 0 0 376.504 4.076 40 0 GIABRN CCc1nc2ccccc2n1[C@H](C)C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000019718495 207155303 /nfs/dbraw/zinc/15/53/03/207155303.db2.gz LMZNXDHQCJPGGZ-CQSZACIVSA-N 0 0 384.549 4.273 40 0 GIABRN COc1cccc(-c2cc(C(=O)NCCc3nc(C(C)(C)C)cs3)on2)c1 ZINC000019718585 207155313 /nfs/dbraw/zinc/15/53/13/207155313.db2.gz DHVPBKUAWRTATH-UHFFFAOYSA-N 0 0 385.489 4.077 40 0 GIABRN Cc1c([C@H](C)NC(=O)c2cc(-c3ccccn3)nc3ccc(C)cc32)cnn1C ZINC000019719132 207155844 /nfs/dbraw/zinc/15/58/44/207155844.db2.gz QAVDDWZNGGKHOD-HNNXBMFYSA-N 0 0 385.471 4.138 40 0 GIABRN C[C@@H](NC(=O)CC1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1)C1CC1 ZINC000019748321 207157159 /nfs/dbraw/zinc/15/71/59/207157159.db2.gz NGNPFWGQPBZVAB-GOSISDBHSA-N 0 0 382.548 4.042 40 0 GIABRN COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 ZINC000020049169 207175687 /nfs/dbraw/zinc/17/56/87/207175687.db2.gz RVPGVOOXGDUPQK-MRXNPFEDSA-N 0 0 398.528 4.441 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Sc2ccc(OC)cc2)c1 ZINC000020044601 207176137 /nfs/dbraw/zinc/17/61/37/207176137.db2.gz GNMHSTYFFOAHGP-NSHDSACASA-N 0 0 379.865 4.255 40 0 GIABRN COc1cccc(-c2nnc(CSc3n[nH]c(-c4ccccc4Cl)n3)o2)c1 ZINC000019928223 207169708 /nfs/dbraw/zinc/16/97/08/207169708.db2.gz XQNKSGQTJGODRX-UHFFFAOYSA-N 0 0 399.863 4.476 40 0 GIABRN O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000019932812 207172131 /nfs/dbraw/zinc/17/21/31/207172131.db2.gz UQVHYKYAVFEEFD-UHFFFAOYSA-N 0 0 386.860 4.393 40 0 GIABRN CC[C@H](Oc1ccccc1Cl)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020038689 207174212 /nfs/dbraw/zinc/17/42/12/207174212.db2.gz NJSBYTDBGQPFMT-MAIVGLDJSA-N 0 0 398.934 4.355 40 0 GIABRN COc1cccc(OC)c1/C=C/C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000020030243 207174556 /nfs/dbraw/zinc/17/45/56/207174556.db2.gz BRXJVAOZTAFVIO-XZHRJIJLSA-N 0 0 390.277 4.357 40 0 GIABRN O=C(NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccccc1 ZINC000020151462 207180189 /nfs/dbraw/zinc/18/01/89/207180189.db2.gz XZOLHCGTGQREQR-UHFFFAOYSA-N 0 0 386.860 4.219 40 0 GIABRN COc1cc(NC(=O)COc2ccc(C)c(C)c2)ccc1-c1ccc(CO)o1 ZINC000020143841 207180758 /nfs/dbraw/zinc/18/07/58/207180758.db2.gz WLNCMFGFQQYIDB-UHFFFAOYSA-N 0 0 381.428 4.082 40 0 GIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000020488443 207197821 /nfs/dbraw/zinc/19/78/21/207197821.db2.gz XZJYMIBFIFGGBH-GOSISDBHSA-N 0 0 386.879 4.372 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)ccc1Cl ZINC000020485637 207197841 /nfs/dbraw/zinc/19/78/41/207197841.db2.gz NZLFUSNYSKFTIV-KRWDZBQOSA-N 0 0 379.815 4.452 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020491211 207197954 /nfs/dbraw/zinc/19/79/54/207197954.db2.gz YPFLPTORXAFDNW-HXUWFJFHSA-N 0 0 386.923 4.463 40 0 GIABRN CCOC(=O)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1Cl ZINC000020452815 207193046 /nfs/dbraw/zinc/19/30/46/207193046.db2.gz VRKVSAZSDXBVDL-UHFFFAOYSA-N 0 0 389.860 4.471 40 0 GIABRN Cc1nccn1-c1ccc(CNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 ZINC000020457839 207194651 /nfs/dbraw/zinc/19/46/51/207194651.db2.gz OLHIABIVHHIUEF-GOSISDBHSA-N 0 0 377.488 4.190 40 0 GIABRN CCOc1cccc(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000020456237 207194767 /nfs/dbraw/zinc/19/47/67/207194767.db2.gz JWOXCGIMXVNLSS-UHFFFAOYSA-N 0 0 383.469 4.356 40 0 GIABRN COc1cc([C@H]2Cc3c(cnn3-c3ccc(C)cc3)C(=O)C2)cc(OC)c1OC ZINC000020632966 207208764 /nfs/dbraw/zinc/20/87/64/207208764.db2.gz CYIBUKIXQUMAMX-HNNXBMFYSA-N 0 0 392.455 4.119 40 0 GIABRN COc1ccc(S[C@@H](C)C(=O)NCCSC2CCCCC2)cc1OC ZINC000020492869 207199896 /nfs/dbraw/zinc/19/98/96/207199896.db2.gz VDFSFVJPNHGENN-AWEZNQCLSA-N 0 0 383.579 4.367 40 0 GIABRN CCc1nn2c(nnc(C(=O)Nc3ccc(CC)cc3)c2C)c1-c1ccccc1 ZINC000020633693 207208994 /nfs/dbraw/zinc/20/89/94/207208994.db2.gz QPRMZVMQVQLKKB-UHFFFAOYSA-N 0 0 385.471 4.477 40 0 GIABRN CCCc1nnc2sc(-c3ccc(NC(=O)c4ccc(OC)cc4)cc3)nn12 ZINC000020609772 207208054 /nfs/dbraw/zinc/20/80/54/207208054.db2.gz DDGFDXVIYPQZHX-UHFFFAOYSA-N 0 0 393.472 4.066 40 0 GIABRN Cc1cc(C)n2c(nnc2SCC(=O)N2c3ccccc3C(C)=CC2(C)C)n1 ZINC000020799461 207215484 /nfs/dbraw/zinc/21/54/84/207215484.db2.gz SXWYQBXGKWKBJG-UHFFFAOYSA-N 0 0 393.516 4.062 40 0 GIABRN Cc1nc2nc(-c3ccccc3)nn2c(N)c1-c1ccc(Br)cc1 ZINC000020638543 207209287 /nfs/dbraw/zinc/20/92/87/207209287.db2.gz MQLMTVWNKOBPGM-UHFFFAOYSA-N 0 0 380.249 4.111 40 0 GIABRN CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cc(Cl)ccc1Cl)cn2C ZINC000022237208 207249227 /nfs/dbraw/zinc/24/92/27/207249227.db2.gz QHNOXCBDROCQBY-UHFFFAOYSA-N 0 0 391.254 4.496 40 0 GIABRN O=C(NCc1ccc(Cl)cc1Cl)c1cn2c3c(cccc3c1=O)CCC2 ZINC000022235145 207249290 /nfs/dbraw/zinc/24/92/90/207249290.db2.gz IZPLRJOHMFUJMG-UHFFFAOYSA-N 0 0 387.266 4.185 40 0 GIABRN CCc1cccc(CC)c1NC(=O)c1cn(CC)c2ccc(OC)cc2c1=O ZINC000022235979 207250139 /nfs/dbraw/zinc/25/01/39/207250139.db2.gz RIWMVAGIWGOLHO-UHFFFAOYSA-N 0 0 378.472 4.407 40 0 GIABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000022245979 207250527 /nfs/dbraw/zinc/25/05/27/207250527.db2.gz JJAQBRJAHXSIJN-UHFFFAOYSA-N 0 0 396.491 4.297 40 0 GIABRN COC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000022511256 207255112 /nfs/dbraw/zinc/25/51/12/207255112.db2.gz TXDHTZHTVSBZRO-UHFFFAOYSA-N 0 0 386.451 4.288 40 0 GIABRN O=C(c1ccc(CN2CCCc3ccccc32)cc1)N1CC(=O)Nc2ccccc21 ZINC000022513138 207255810 /nfs/dbraw/zinc/25/58/10/207255810.db2.gz YXNDTAWEYGTDEG-UHFFFAOYSA-N 0 0 397.478 4.238 40 0 GIABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1-n1ccnc1 ZINC000022533690 207256804 /nfs/dbraw/zinc/25/68/04/207256804.db2.gz VXIFNOQJMAWBBP-QHCPKHFHSA-N 0 0 385.467 4.499 40 0 GIABRN O=C(Nc1ccc(O)cc1)C1=CC[C@H](OC(F)(F)[C@H](F)C(F)(F)F)C=C1 ZINC000026787335 207319229 /nfs/dbraw/zinc/31/92/29/207319229.db2.gz CKDGHWXCDBMQOS-TZMCWYRMSA-N 0 0 381.272 4.095 40 0 GIABRN CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1OCC ZINC000027916877 207331887 /nfs/dbraw/zinc/33/18/87/207331887.db2.gz QEJYGBVMTHGYNE-UHFFFAOYSA-N 0 0 396.487 4.362 40 0 GIABRN CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000030027999 207369549 /nfs/dbraw/zinc/36/95/49/207369549.db2.gz ASESYIYIAQWKIW-UHFFFAOYSA-N 0 0 396.468 4.493 40 0 GIABRN Cc1nccn1Cc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 ZINC000030938608 207377378 /nfs/dbraw/zinc/37/73/78/207377378.db2.gz YNFMJIPFBGLFGX-UHFFFAOYSA-N 0 0 388.240 4.394 40 0 GIABRN COc1ccc([C@H]2c3cc4c(cc3O[C@H](N3CCCCC3)[C@H]2C)OCO4)cc1 ZINC000031860891 207387579 /nfs/dbraw/zinc/38/75/79/207387579.db2.gz OFWNMZRXUNSPIH-MPMWTEJESA-N 0 0 381.472 4.396 40 0 GIABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C2CC2)cc1 ZINC000032604116 207399891 /nfs/dbraw/zinc/39/98/91/207399891.db2.gz BOQYSIHVQOKTMI-UHFFFAOYSA-N 0 0 382.464 4.458 40 0 GIABRN CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(OC)cc1 ZINC000044886543 207642169 /nfs/dbraw/zinc/64/21/69/207642169.db2.gz VNSUIBZTYMHUIQ-OAHLLOKOSA-N 0 0 386.517 4.344 40 0 GIABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000044946007 207647831 /nfs/dbraw/zinc/64/78/31/207647831.db2.gz XKXQUEFGCIVTAT-NRFANRHFSA-N 0 0 382.504 4.485 40 0 GIABRN CCOc1ccc(C(=O)Nc2ccccc2C(=O)N(CC)CC)cc1OCC ZINC000056340496 207745411 /nfs/dbraw/zinc/74/54/11/207745411.db2.gz VXSPJAIQSVEVKU-UHFFFAOYSA-N 0 0 384.476 4.218 40 0 GIABRN O=C(CCc1ccccc1Cl)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000061240017 207789091 /nfs/dbraw/zinc/78/90/91/207789091.db2.gz RGJZJNXTKKQRDT-UHFFFAOYSA-N 0 0 393.874 4.236 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2ccccc2-c2ccccc2)cc1OC ZINC000063848754 207796573 /nfs/dbraw/zinc/79/65/73/207796573.db2.gz YUXLBXAUIMBRHE-UHFFFAOYSA-N 0 0 383.469 4.196 40 0 GIABRN COc1ccc(CCCNC(=O)CSc2ccc(Cl)cc2)cc1OC ZINC000065086798 207835351 /nfs/dbraw/zinc/83/53/51/207835351.db2.gz OEHJGCRKNGWBNY-UHFFFAOYSA-N 0 0 379.909 4.198 40 0 GIABRN COc1ccc(OCCn2cc(C=C3SC(=O)NC3=O)c3ccccc32)cc1 ZINC000409132324 533019364 /nfs/dbraw/zinc/01/93/64/533019364.db2.gz ZKJXZILZKAGGAN-UNOMPAQXSA-N 0 0 394.452 4.053 40 0 GIABRN O=C(CN1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1)Nc1nccs1 ZINC000072357700 208000748 /nfs/dbraw/zinc/00/07/48/208000748.db2.gz CBWQDMGMOPQBSB-LJQANCHMSA-N 0 0 396.491 4.044 40 0 GIABRN Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)c4nccn4C)C3)c2)c1 ZINC000072356226 208000939 /nfs/dbraw/zinc/00/09/39/208000939.db2.gz SEWVLFPJPKRCGS-NRFANRHFSA-N 0 0 388.515 4.043 40 0 GIABRN Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN(C(=O)c3ccnn3C)C2)n1 ZINC000072354082 208001281 /nfs/dbraw/zinc/00/12/81/208001281.db2.gz QHZRJGAFCLTNIX-OAQYLSRUSA-N 0 0 388.515 4.043 40 0 GIABRN COc1cccc(-c2cncc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1 ZINC000072359345 208002139 /nfs/dbraw/zinc/00/21/39/208002139.db2.gz OTWWZOAUZGKONL-SFHVURJKSA-N 0 0 391.446 4.311 40 0 GIABRN Cc1ncsc1C(=O)N1CCC[C@@H](c2cncc(-c3cccc(C)c3)n2)C1 ZINC000072359706 208003012 /nfs/dbraw/zinc/00/30/12/208003012.db2.gz FNZGBVCQWUYHOG-QGZVFWFLSA-N 0 0 378.501 4.237 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC(c3nccnc3Oc3ccccc3)CC2)s1 ZINC000072362519 208003180 /nfs/dbraw/zinc/00/31/80/208003180.db2.gz MBCUAGACJPQZKO-UHFFFAOYSA-N 0 0 394.500 4.362 40 0 GIABRN O=C(Cc1ccccc1)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1 ZINC000072358629 208003629 /nfs/dbraw/zinc/00/36/29/208003629.db2.gz UCSDBFXAIFHLEM-SFHVURJKSA-N 0 0 375.447 4.231 40 0 GIABRN O=C(Cc1ccccn1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359603 208004237 /nfs/dbraw/zinc/00/42/37/208004237.db2.gz IETMUVRZXXHAAI-QGZVFWFLSA-N 0 0 392.890 4.141 40 0 GIABRN Cc1ccc(C(=O)N2CCC[C@@H](c3cncc(Oc4ccccc4F)n3)C2)cn1 ZINC000072362690 208005618 /nfs/dbraw/zinc/00/56/18/208005618.db2.gz YHYWODOAOZEZDM-QGZVFWFLSA-N 0 0 392.434 4.131 40 0 GIABRN O=C(CCc1ccc(Cl)cc1)N1CCC[C@H]1c1cc(Nc2ccccn2)n[nH]1 ZINC000072378173 208007237 /nfs/dbraw/zinc/00/72/37/208007237.db2.gz BOLQPJWYVQASLD-SFHVURJKSA-N 0 0 395.894 4.498 40 0 GIABRN Cc1cc(Cc2ccccc2)cc([C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)n1 ZINC000072374741 208007689 /nfs/dbraw/zinc/00/76/89/208007689.db2.gz YMRVMMSPHUAGFJ-OAQYLSRUSA-N 0 0 392.524 4.159 40 0 GIABRN Nc1ncc(-c2cccc(Cl)c2)c([C@H]2CCCCN2C(=O)c2cccnc2)n1 ZINC000072376954 208008331 /nfs/dbraw/zinc/00/83/31/208008331.db2.gz NWBGYLRZFHJYPH-GOSISDBHSA-N 0 0 393.878 4.142 40 0 GIABRN Cc1cc(-c2cncnc2)cc([C@@H]2CCN(C(=O)c3cccc4cccnc43)C2)n1 ZINC000072374663 208008410 /nfs/dbraw/zinc/00/84/10/208008410.db2.gz ZXSBGGNVMCMOFD-GOSISDBHSA-N 0 0 395.466 4.025 40 0 GIABRN Cc1nc(CC(=O)N2CCC[C@H]2c2cccc(Nc3cccc(C)n3)n2)cs1 ZINC000072375423 208010502 /nfs/dbraw/zinc/01/05/02/208010502.db2.gz ZZWUUOWVHISQJB-SFHVURJKSA-N 0 0 393.516 4.200 40 0 GIABRN Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2C(=O)c2ccccc2)n1 ZINC000072376790 208010724 /nfs/dbraw/zinc/01/07/24/208010724.db2.gz FBSDRLMAVILSNP-IBGZPJMESA-N 0 0 376.435 4.232 40 0 GIABRN O=C(CCOc1ccccc1)N1CCC[C@H]1c1n[nH]cc1-c1ccc(F)cc1 ZINC000072380400 208011405 /nfs/dbraw/zinc/01/14/05/208011405.db2.gz HGAIKLNMGCYRQW-FQEVSTJZSA-N 0 0 379.435 4.348 40 0 GIABRN CC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)COc2ccccc2)n1 ZINC000072379022 208012185 /nfs/dbraw/zinc/01/21/85/208012185.db2.gz GRRCRAIRCPUTBA-FQEVSTJZSA-N 0 0 390.487 4.133 40 0 GIABRN CC1(C)Cc2c(cnn2Cc2ccccc2)[C@@H](NC(=O)c2cc(C3CC3)on2)C1 ZINC000072396231 208013797 /nfs/dbraw/zinc/01/37/97/208013797.db2.gz ZBXKDWFIITWOPN-IBGZPJMESA-N 0 0 390.487 4.240 40 0 GIABRN C[C@H]1Cc2cc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)ccc2N1 ZINC000078404146 208063161 /nfs/dbraw/zinc/06/31/61/208063161.db2.gz RBLFPEDXPWMQPG-INIZCTEOSA-N 0 0 378.497 4.111 40 0 GIABRN O=C(NCCc1cccnc1)c1cc(-c2ccnn2C2CCCC2)n2ccccc12 ZINC000096154780 208277988 /nfs/dbraw/zinc/27/79/88/208277988.db2.gz IGTBCDQQBQWLHT-UHFFFAOYSA-N 0 0 399.498 4.285 40 0 GIABRN COc1cccc(-c2ccc3c([C@@H]4CCCN4Cc4ccncc4)nnn3c2)c1 ZINC000096156569 208278384 /nfs/dbraw/zinc/27/83/84/208278384.db2.gz SEUNLFWYSOAHBU-NRFANRHFSA-N 0 0 385.471 4.137 40 0 GIABRN O=C(CCC1CCCC1)N1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1 ZINC000096155802 208278430 /nfs/dbraw/zinc/27/84/30/208278430.db2.gz UOUHXTUQBAFEDF-UHFFFAOYSA-N 0 0 395.551 4.006 40 0 GIABRN Cc1ccccc1NC(=O)c1ccn(-c2ccc3ccc(-c4cnn(C)c4)cn32)n1 ZINC000096038107 208255074 /nfs/dbraw/zinc/25/50/74/208255074.db2.gz KESFWIFALNTAHN-UHFFFAOYSA-N 0 0 396.454 4.086 40 0 GIABRN COc1ccccc1CNC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1C ZINC000096037415 208255328 /nfs/dbraw/zinc/25/53/28/208255328.db2.gz PGNOECOBTSTPRK-UHFFFAOYSA-N 0 0 387.483 4.482 40 0 GIABRN CC(C)n1cnc2c1[C@H](C(=O)NC1CCCCCC1)N(Cc1ccccc1)CC2 ZINC000096037540 208255798 /nfs/dbraw/zinc/25/57/98/208255798.db2.gz XXNZVBYXPQVHOM-HSZRJFAPSA-N 0 0 394.563 4.402 40 0 GIABRN O=C(c1ccsc1)N1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1 ZINC000096038181 208256075 /nfs/dbraw/zinc/25/60/75/208256075.db2.gz YUVDJFJUUOMKMR-UHFFFAOYSA-N 0 0 388.496 4.478 40 0 GIABRN CCCCN(C)C(=O)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12 ZINC000096037945 208256618 /nfs/dbraw/zinc/25/66/18/208256618.db2.gz MDNCZANLIJJVFN-UHFFFAOYSA-N 0 0 387.487 4.118 40 0 GIABRN CN(C)c1ncc(-c2cc(C(=O)Nc3cccc(Cl)c3)n(CC3CC3)c2)cn1 ZINC000096037634 208256999 /nfs/dbraw/zinc/25/69/99/208256999.db2.gz BDCVEIQNNMPXLN-UHFFFAOYSA-N 0 0 395.894 4.327 40 0 GIABRN O=C(c1cccc(C(F)(F)F)c1)N1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC000096077551 208261281 /nfs/dbraw/zinc/26/12/81/208261281.db2.gz SWNYKBYQNVDTOC-GOSISDBHSA-N 0 0 394.418 4.036 40 0 GIABRN COc1ccc(S(=O)(=O)N(Cc2ccccc2F)c2ccccc2F)cc1 ZINC000408628051 533042657 /nfs/dbraw/zinc/04/26/57/533042657.db2.gz SEONQVDEZJQREH-UHFFFAOYSA-N 0 0 389.423 4.369 40 0 GIABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000096247363 208296526 /nfs/dbraw/zinc/29/65/26/208296526.db2.gz SBSDUMYZQDQNIS-GOSISDBHSA-N 0 0 379.460 4.169 40 0 GIABRN Cc1ccc(NC(=O)[C@H]2C[C@@]3(CO2)CN(Cc2ccccc2)c2ccccc23)nc1 ZINC000096262851 208298241 /nfs/dbraw/zinc/29/82/41/208298241.db2.gz WUAVNSYIZCOIHU-RDGATRHJSA-N 0 0 399.494 4.076 40 0 GIABRN c1csc(CN2CCC[C@H]2c2nnn3cc(NCc4ccccc4)ccc23)n1 ZINC000096267942 208299599 /nfs/dbraw/zinc/29/95/99/208299599.db2.gz NZEFLKZRYBZWRI-SFHVURJKSA-N 0 0 390.516 4.135 40 0 GIABRN Cc1cccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cccs3)C2=O)c1 ZINC000100626363 208379816 /nfs/dbraw/zinc/37/98/16/208379816.db2.gz LDVDUVVKRUVWQU-AQNXPRMDSA-N 0 0 390.464 4.108 40 0 GIABRN CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2ccccc2Br)CC1 ZINC000100809778 208381721 /nfs/dbraw/zinc/38/17/21/208381721.db2.gz RWNCOMMJZGEEHM-BETUJISGSA-N 0 0 397.313 4.015 40 0 GIABRN O=C(C1CCCCC1)N1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 ZINC000049171030 208452359 /nfs/dbraw/zinc/45/23/59/208452359.db2.gz BKUDFAJTUFABKF-INIZCTEOSA-N 0 0 378.476 4.038 40 0 biogenic,in-vitro GIABRN Fc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCc3ccccc32)cc1 ZINC000001360776 208495758 /nfs/dbraw/zinc/49/57/58/208495758.db2.gz JAPHUPGWRXEQNB-HSZRJFAPSA-N 0 0 399.473 4.207 40 0 GIABRN COc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4cccc(C)c4)C3)n2)cc1 ZINC000001362693 208496101 /nfs/dbraw/zinc/49/61/01/208496101.db2.gz BBGVOQGSYYDXPE-GOSISDBHSA-N 0 0 377.444 4.073 40 0 GIABRN O=C(NC1CCCCC1)[C@@]1(/C=C/c2ccccc2)CC(=O)N1c1ccc(F)cc1 ZINC000000800287 208481703 /nfs/dbraw/zinc/48/17/03/208481703.db2.gz MMDSUORJXPFWKN-RFAWQRTRSA-N 0 0 392.474 4.464 40 0 GIABRN CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1C ZINC000000892275 208485605 /nfs/dbraw/zinc/48/56/05/208485605.db2.gz BOQQUWMEWAIVKN-UHFFFAOYSA-N 0 0 396.516 4.043 40 0 GIABRN Cc1nnc(S[C@@H](C)C(=O)Nc2cccc3ccccc32)n1C[C@@H]1CCCO1 ZINC000000915429 208487163 /nfs/dbraw/zinc/48/71/63/208487163.db2.gz FHTZIRBHCNGZAA-YOEHRIQHSA-N 0 0 396.516 4.038 40 0 GIABRN Cc1cc2ccccc2n2c(SCC(=O)N3CCCc4ccccc43)nnc12 ZINC000001223195 208490707 /nfs/dbraw/zinc/49/07/07/208490707.db2.gz HQCYWPXIUIZVFB-UHFFFAOYSA-N 0 0 388.496 4.262 40 0 GIABRN CCOC(=O)c1cc2sccc2n1CC(=O)Nc1cc(Cl)ccc1OC ZINC000001338065 208493218 /nfs/dbraw/zinc/49/32/18/208493218.db2.gz DPNWFMKQNSJOOF-UHFFFAOYSA-N 0 0 392.864 4.180 40 0 GIABRN COc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(C)cc4)C3)n2)c1 ZINC000001362535 208495271 /nfs/dbraw/zinc/49/52/71/208495271.db2.gz VMSFNSREGCCRFO-GOSISDBHSA-N 0 0 377.444 4.073 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1NC(=O)c1ccccc1 ZINC000408553355 533070476 /nfs/dbraw/zinc/07/04/76/533070476.db2.gz VIUXWDNBHVRZHG-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN CCCCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccncc1 ZINC000004161383 208537547 /nfs/dbraw/zinc/53/75/47/208537547.db2.gz GSUWOJJWMSHXJJ-UHFFFAOYSA-N 0 0 381.505 4.179 40 0 GIABRN COCCN(C(=O)c1ccccc1F)c1nc(-c2ccc(OC)cc2)cs1 ZINC000004169369 208538578 /nfs/dbraw/zinc/53/85/78/208538578.db2.gz GPFYXOHMIBCFLM-UHFFFAOYSA-N 0 0 386.448 4.251 40 0 GIABRN C[C@]12C[C@H](NC(=O)N1CCc1ccccc1)c1cc(Br)ccc1O2 ZINC000004877721 208546625 /nfs/dbraw/zinc/54/66/25/208546625.db2.gz MVDAMVYKBUMGJQ-LPHOPBHVSA-N 0 0 387.277 4.257 40 0 GIABRN CC1(C)[C@H]2CC[C@]1(C)c1nc(SCC(=O)c3ccc(F)cc3F)nnc12 ZINC000005060053 208666061 /nfs/dbraw/zinc/66/60/61/208666061.db2.gz JPHCLDPFNGAHHU-HXPMCKFVSA-N 0 0 375.444 4.300 40 0 GIABRN Cc1cccc(C(=O)N2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306131603 209102369 /nfs/dbraw/zinc/10/23/69/209102369.db2.gz KJSZVKYDUOSNIS-NRFANRHFSA-N 0 0 397.482 4.120 40 0 GIABRN COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3Cl)o2)cc1 ZINC000000783240 208707117 /nfs/dbraw/zinc/70/71/17/208707117.db2.gz VGZNFJWIXXOELV-UHFFFAOYSA-N 0 0 389.864 4.053 40 0 GIABRN CCOc1cc(C=O)ccc1OCc1ccc(I)cc1 ZINC000005652029 208720780 /nfs/dbraw/zinc/72/07/80/208720780.db2.gz WXDDGGANUASDOQ-UHFFFAOYSA-N 0 0 382.197 4.081 40 0 GIABRN C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000195529044 208810151 /nfs/dbraw/zinc/81/01/51/208810151.db2.gz LSELYNHNNZHEKN-IATRGZMQSA-N 0 0 377.485 4.297 40 0 GIABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000219213839 208842546 /nfs/dbraw/zinc/84/25/46/208842546.db2.gz RIVSXQRYXNNOLH-OAQYLSRUSA-N 0 0 380.488 4.339 40 0 GIABRN Cc1ccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1C ZINC000219523330 208847598 /nfs/dbraw/zinc/84/75/98/208847598.db2.gz DHDNRHWBCDOQGB-OAHLLOKOSA-N 0 0 399.878 4.433 40 0 GIABRN Cc1cc(OCC(=O)NCCSc2ccccc2)ccc1Br ZINC000218821021 208839901 /nfs/dbraw/zinc/83/99/01/208839901.db2.gz HIVQEMTWSHCMPB-UHFFFAOYSA-N 0 0 380.307 4.045 40 0 GIABRN COC(=O)c1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1Cl ZINC000218930112 208840068 /nfs/dbraw/zinc/84/00/68/208840068.db2.gz POIMNRLWBZTMJI-UHFFFAOYSA-N 0 0 375.852 4.442 40 0 GIABRN CCc1ccc(N([C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000220270054 208859796 /nfs/dbraw/zinc/85/97/96/208859796.db2.gz CXCBJFBEFQKIHN-CQSZACIVSA-N 0 0 394.924 4.004 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1 ZINC000222409220 208875494 /nfs/dbraw/zinc/87/54/94/208875494.db2.gz SWTHPSOGHBCNQN-JOCHJYFZSA-N 0 0 396.531 4.014 40 0 GIABRN CCc1ccc(O[C@H](CC)C(=O)NCC2(c3ccccc3)CCOCC2)cc1 ZINC000222568568 208878675 /nfs/dbraw/zinc/87/86/75/208878675.db2.gz BQMWQGUZNGZNRL-JOCHJYFZSA-N 0 0 381.516 4.271 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1C ZINC000222660755 208878986 /nfs/dbraw/zinc/87/89/86/208878986.db2.gz ZWVIZWVXDJWTMH-IBGZPJMESA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC)c(C)c3OC)N21 ZINC000222648493 208879113 /nfs/dbraw/zinc/87/91/13/208879113.db2.gz KNQAIXIYGHGFLO-MDASCCDHSA-N 0 0 383.517 4.387 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(OC)c(OC)cc3C)N21 ZINC000222648758 208879431 /nfs/dbraw/zinc/87/94/31/208879431.db2.gz JRSDBXNZBZJNKR-VOBQZIQPSA-N 0 0 383.517 4.387 40 0 GIABRN COc1ccc(-n2ccc([C@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2)cc1 ZINC000222637545 208879482 /nfs/dbraw/zinc/87/94/82/208879482.db2.gz XXXCVYINRMRJNP-RVHYNSKXSA-N 0 0 390.512 4.470 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C ZINC000222646937 208879591 /nfs/dbraw/zinc/87/95/91/208879591.db2.gz AMWCYLKVBGYORE-QFIPXVFZSA-N 0 0 398.522 4.317 40 0 GIABRN CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000222898921 208887507 /nfs/dbraw/zinc/88/75/07/208887507.db2.gz BMYPNNDIHKJAKI-LBPRGKRZSA-N 0 0 397.277 4.186 40 0 GIABRN CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000222912160 208887513 /nfs/dbraw/zinc/88/75/13/208887513.db2.gz ZEIJMCRRGMNFER-OAHLLOKOSA-N 0 0 390.886 4.169 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1Cl ZINC000222934429 208888671 /nfs/dbraw/zinc/88/86/71/208888671.db2.gz OOPDBAOBOLCHSG-AWEZNQCLSA-N 0 0 393.314 4.089 40 0 GIABRN CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](CC)C(=O)NC)cc1 ZINC000223051630 208890957 /nfs/dbraw/zinc/89/09/57/208890957.db2.gz UIAKGXWEMIFCIB-JOCHJYFZSA-N 0 0 380.532 4.043 40 0 GIABRN CC[C@H](NS(=O)(=O)c1cc(F)ccc1OC)c1ccc2c(c1)CCCC2 ZINC000223131232 208892587 /nfs/dbraw/zinc/89/25/87/208892587.db2.gz SKYKSMQHMCEFCH-SFHVURJKSA-N 0 0 377.481 4.143 40 0 GIABRN Cc1cc(C)cc(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223132775 208895064 /nfs/dbraw/zinc/89/50/64/208895064.db2.gz QTYPALUMOIRKFH-HXUWFJFHSA-N 0 0 394.559 4.220 40 0 GIABRN Cc1ccc(C)c(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222704276 208881541 /nfs/dbraw/zinc/88/15/41/208881541.db2.gz YFENFLCCRPWGTG-HXUWFJFHSA-N 0 0 394.559 4.486 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 ZINC000222730296 208881960 /nfs/dbraw/zinc/88/19/60/208881960.db2.gz DGHINLXSRZLKPQ-AWEZNQCLSA-N 0 0 393.314 4.008 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl ZINC000223632108 208907582 /nfs/dbraw/zinc/90/75/82/208907582.db2.gz UBNWSPRMJZEOMG-QGZVFWFLSA-N 0 0 386.923 4.134 40 0 GIABRN Cc1cc(C)c(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)c(C)c1 ZINC000223686189 208908464 /nfs/dbraw/zinc/90/84/64/208908464.db2.gz ADTHNQMTZQMFTM-UHFFFAOYSA-N 0 0 375.534 4.267 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223814330 208910727 /nfs/dbraw/zinc/91/07/27/208910727.db2.gz LXJRUOWWPVDADQ-HXUWFJFHSA-N 0 0 392.543 4.322 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 ZINC000223275184 208898023 /nfs/dbraw/zinc/89/80/23/208898023.db2.gz FBOGEZKQLVFOAJ-SFHVURJKSA-N 0 0 384.495 4.010 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C ZINC000223275255 208898127 /nfs/dbraw/zinc/89/81/27/208898127.db2.gz IUOJIKAUUVNFOW-LJQANCHMSA-N 0 0 398.522 4.319 40 0 GIABRN CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 ZINC000223339995 208900159 /nfs/dbraw/zinc/90/01/59/208900159.db2.gz KQTAYDFZWDVVRD-RTBURBONSA-N 0 0 380.517 4.404 40 0 GIABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223495894 208903998 /nfs/dbraw/zinc/90/39/98/208903998.db2.gz ORYPGDMVFLVYFQ-HSZRJFAPSA-N 0 0 394.559 4.339 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223531503 208904047 /nfs/dbraw/zinc/90/40/47/208904047.db2.gz QIFBTYCORRGMCW-IBGZPJMESA-N 0 0 394.559 4.470 40 0 GIABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccc2ccccc2c1 ZINC000223610215 208905209 /nfs/dbraw/zinc/90/52/09/208905209.db2.gz CUKQLYCNCFZFNZ-JOCHJYFZSA-N 0 0 379.456 4.201 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000223607246 208905304 /nfs/dbraw/zinc/90/53/04/208905304.db2.gz RIUAOGVJRJITDR-QFIPXVFZSA-N 0 0 380.532 4.261 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 ZINC000223579943 208905494 /nfs/dbraw/zinc/90/54/94/208905494.db2.gz HVMJSNKWCPSUDN-UHFFFAOYSA-N 0 0 399.516 4.163 40 0 GIABRN CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1ccc(Cl)cc1 ZINC000224497491 208927631 /nfs/dbraw/zinc/92/76/31/208927631.db2.gz ODIPSQDSQLBPIH-IBGZPJMESA-N 0 0 389.879 4.227 40 0 GIABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)o2)cc1 ZINC000223958818 208914243 /nfs/dbraw/zinc/91/42/43/208914243.db2.gz VXJVVEDJMWRPFR-WOJBJXKFSA-N 0 0 392.484 4.119 40 0 GIABRN Cc1cc(Br)cnc1NC(=S)NCCCc1ccc(F)cc1 ZINC000223967475 208914599 /nfs/dbraw/zinc/91/45/99/208914599.db2.gz CUQRTSJUBKGVFO-UHFFFAOYSA-N 0 0 382.302 4.211 40 0 GIABRN Cc1cccnc1NC(=S)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000224016592 208915352 /nfs/dbraw/zinc/91/53/52/208915352.db2.gz WIQWUGKRDOTKRQ-UHFFFAOYSA-N 0 0 375.925 4.078 40 0 GIABRN Cc1cc(Cl)cnc1NC(=S)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000224026228 208916447 /nfs/dbraw/zinc/91/64/47/208916447.db2.gz WRZNUXKDHCXBID-UHFFFAOYSA-N 0 0 393.915 4.217 40 0 GIABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CCc1ccccc1 ZINC000224055507 208917772 /nfs/dbraw/zinc/91/77/72/208917772.db2.gz UBLRXHXBPCIOCS-KRWDZBQOSA-N 0 0 384.495 4.090 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224096111 208918103 /nfs/dbraw/zinc/91/81/03/208918103.db2.gz VZLRWYULSTUPNZ-HXUWFJFHSA-N 0 0 380.532 4.117 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 ZINC000224164436 208919463 /nfs/dbraw/zinc/91/94/63/208919463.db2.gz TYMRTMXDPVULEF-QFIPXVFZSA-N 0 0 380.532 4.180 40 0 GIABRN CCc1ccc(OCCNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000224138976 208919542 /nfs/dbraw/zinc/91/95/42/208919542.db2.gz KXEDGEMYBKRGQN-INIZCTEOSA-N 0 0 375.896 4.482 40 0 GIABRN CCc1ccc(OCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000224138915 208919589 /nfs/dbraw/zinc/91/95/89/208919589.db2.gz KXEDGEMYBKRGQN-MRXNPFEDSA-N 0 0 375.896 4.482 40 0 GIABRN Cc1cc(C)cc(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224516310 208927867 /nfs/dbraw/zinc/92/78/67/208927867.db2.gz JUOZHQYXFBFLSB-OAQYLSRUSA-N 0 0 394.559 4.078 40 0 GIABRN Cc1cc(C)cc(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224516269 208928473 /nfs/dbraw/zinc/92/84/73/208928473.db2.gz JUOZHQYXFBFLSB-NRFANRHFSA-N 0 0 394.559 4.078 40 0 GIABRN CCOc1ccc(S(=O)(=O)N(CC)c2ccc(Br)cc2)cc1 ZINC000224583073 208928976 /nfs/dbraw/zinc/92/89/76/208928976.db2.gz SPCRKBMZCAWNCH-UHFFFAOYSA-N 0 0 384.295 4.063 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1C ZINC000224632484 208929852 /nfs/dbraw/zinc/92/98/52/208929852.db2.gz KVWBCHUHCLRVRZ-LJQANCHMSA-N 0 0 398.572 4.172 40 0 GIABRN CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1OC ZINC000224585296 208930188 /nfs/dbraw/zinc/93/01/88/208930188.db2.gz CFIVPAPXNXJMSC-UXHICEINSA-N 0 0 378.501 4.089 40 0 GIABRN CC[C@H](NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1)c1ccc(C)cc1 ZINC000224592756 208930500 /nfs/dbraw/zinc/93/05/00/208930500.db2.gz WHNMASBKLBABCY-KRWDZBQOSA-N 0 0 392.546 4.105 40 0 GIABRN CCCC[C@@H](CC)CNC(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000224746875 208933037 /nfs/dbraw/zinc/93/30/37/208933037.db2.gz DQLXTJDBTWJRAW-LJQANCHMSA-N 0 0 396.597 4.128 40 0 GIABRN CCCC[C@@H](CC)CNC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O ZINC000224742903 208933167 /nfs/dbraw/zinc/93/31/67/208933167.db2.gz IOLOMQJLAQJGSZ-LJQANCHMSA-N 0 0 396.597 4.182 40 0 GIABRN CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(OC)c(OC)c3)o2)cc1 ZINC000224859274 208934570 /nfs/dbraw/zinc/93/45/70/208934570.db2.gz PEJNVJTVCIOGEL-UHFFFAOYSA-N 0 0 396.443 4.329 40 0 GIABRN COc1cccc(-c2cnc(CCC(=O)N[C@@H](C)CCc3ccccc3)o2)c1 ZINC000224850955 208935043 /nfs/dbraw/zinc/93/50/43/208935043.db2.gz SFLYZBXBVAVAFP-KRWDZBQOSA-N 0 0 378.472 4.420 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 ZINC000224868073 208936096 /nfs/dbraw/zinc/93/60/96/208936096.db2.gz YIPODFDWOUJREV-SFHVURJKSA-N 0 0 384.495 4.010 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCCOC2CCCCC2)cc1C(C)C ZINC000224926111 208936121 /nfs/dbraw/zinc/93/61/21/208936121.db2.gz ZLAPTJQQYFMFAW-UHFFFAOYSA-N 0 0 383.554 4.145 40 0 GIABRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)n1C ZINC000224894429 208936169 /nfs/dbraw/zinc/93/61/69/208936169.db2.gz VEAMFGBDNNMAQV-VQTJNVASSA-N 0 0 380.492 4.353 40 0 GIABRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)n1C ZINC000224894347 208936807 /nfs/dbraw/zinc/93/68/07/208936807.db2.gz VEAMFGBDNNMAQV-WOJBJXKFSA-N 0 0 380.492 4.353 40 0 GIABRN CCOc1ccc(C(=O)N[C@@H](CC)c2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000224980019 208938701 /nfs/dbraw/zinc/93/87/01/208938701.db2.gz YTDRXUPVUBQJKY-KRWDZBQOSA-N 0 0 395.908 4.023 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSc1ccccc1 ZINC000225072257 208939335 /nfs/dbraw/zinc/93/93/35/208939335.db2.gz SRAMTKOSIBMBHV-FQEVSTJZSA-N 0 0 384.545 4.112 40 0 GIABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)c1 ZINC000225068014 208939465 /nfs/dbraw/zinc/93/94/65/208939465.db2.gz DPZCXYUPYCAHSB-AWEZNQCLSA-N 0 0 384.501 4.438 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 ZINC000225038196 208940410 /nfs/dbraw/zinc/94/04/10/208940410.db2.gz PVFCBHARKZKSCI-RTWAWAEBSA-N 0 0 394.559 4.486 40 0 GIABRN CCOC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225043268 208940484 /nfs/dbraw/zinc/94/04/84/208940484.db2.gz GLSUGVJYEOQCIU-UHFFFAOYSA-N 0 0 397.496 4.215 40 0 GIABRN COc1cccc(C(=O)N2CCS/C2=C\c2csc(-c3cccnc3)n2)c1 ZINC000225262499 208945237 /nfs/dbraw/zinc/94/52/37/208945237.db2.gz WSIPSVVXFDMKNA-WOJGMQOQSA-N 0 0 395.509 4.401 40 0 GIABRN COc1ccc(NC(=S)NCCSCc2ccc(C)cc2)cc1OC ZINC000225292526 208946901 /nfs/dbraw/zinc/94/69/01/208946901.db2.gz XABSXOWTSDCEQC-UHFFFAOYSA-N 0 0 376.547 4.232 40 0 GIABRN COc1cc2c(cc1S(=O)(=O)NCCCc1ccc(Cl)cc1)CCCC2 ZINC000225337143 208947954 /nfs/dbraw/zinc/94/79/54/208947954.db2.gz NRDYFPJIRSEUSY-UHFFFAOYSA-N 0 0 393.936 4.139 40 0 GIABRN COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1F ZINC000225389116 208948605 /nfs/dbraw/zinc/94/86/05/208948605.db2.gz NAUBMDKKTIAUMM-UHFFFAOYSA-N 0 0 378.403 4.017 40 0 GIABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000225444384 208953936 /nfs/dbraw/zinc/95/39/36/208953936.db2.gz LURCNCGBOAVGPC-LJQANCHMSA-N 0 0 389.495 4.472 40 0 GIABRN Cc1ccc(C)c(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)c1 ZINC000225492257 208955066 /nfs/dbraw/zinc/95/50/66/208955066.db2.gz WVJTWSBKZSNADJ-HXUWFJFHSA-N 0 0 380.532 4.096 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000225492322 208955130 /nfs/dbraw/zinc/95/51/30/208955130.db2.gz VFDMYVTYTDMBJW-KNQAVFIVSA-N 0 0 380.532 4.260 40 0 GIABRN Fc1ccccc1CSCCCNC(=S)Nc1ccc2c(c1)OCO2 ZINC000225612016 208963842 /nfs/dbraw/zinc/96/38/42/208963842.db2.gz XVOGDAQZYZOSLK-UHFFFAOYSA-N 0 0 378.494 4.164 40 0 GIABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000225720450 208970099 /nfs/dbraw/zinc/97/00/99/208970099.db2.gz AYOVIYIAFMVXND-STZFKDTASA-N 0 0 390.439 4.315 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl ZINC000225719106 208970520 /nfs/dbraw/zinc/97/05/20/208970520.db2.gz RMEVPRSIXTXQTQ-FQEVSTJZSA-N 0 0 386.923 4.215 40 0 GIABRN CCOCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1 ZINC000225569559 208960262 /nfs/dbraw/zinc/96/02/62/208960262.db2.gz KGBPSJGEUUFTLO-UHFFFAOYSA-N 0 0 383.488 4.097 40 0 GIABRN O=C(Nc1cccc(Br)c1)c1snnc1-c1ccc(F)cc1 ZINC000225778330 208976286 /nfs/dbraw/zinc/97/62/86/208976286.db2.gz TYASQKNXDDQCNO-UHFFFAOYSA-N 0 0 378.226 4.359 40 0 GIABRN C[C@@H]1Cc2ccccc2N1CCCNC(=O)COc1cccc(C(F)(F)F)c1 ZINC000225814391 208977884 /nfs/dbraw/zinc/97/78/84/208977884.db2.gz COODVJQFGIUPGZ-OAHLLOKOSA-N 0 0 392.421 4.042 40 0 GIABRN S=C(NCCCc1ccccc1)Nc1nc(Cl)cc(N2CCCCC2)n1 ZINC000225966884 208984957 /nfs/dbraw/zinc/98/49/57/208984957.db2.gz GKHWECMCVLZTQT-UHFFFAOYSA-N 0 0 389.956 4.040 40 0 GIABRN CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000225967687 208985606 /nfs/dbraw/zinc/98/56/06/208985606.db2.gz XLSBQTWJRFAPGO-UHFFFAOYSA-N 0 0 387.288 4.032 40 0 GIABRN O=C1[C@@H]2C[C@@H](CN2Cc2ccc(Cl)cc2)Oc2ccccc2N1CC1CC1 ZINC000096111802 209009257 /nfs/dbraw/zinc/00/92/57/209009257.db2.gz FAYOTAHGKADZLY-ICSRJNTNSA-N 0 0 382.891 4.119 40 0 biogenic,in-vitro GIABRN CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)c2nccc3ccccc32)n1 ZINC000257200194 209053318 /nfs/dbraw/zinc/05/33/18/209053318.db2.gz ACJAUOVDBWOSRM-HXUWFJFHSA-N 0 0 388.515 4.323 40 0 GIABRN O=C(c1ccc2ccccc2n1)N1C[C@@H]2CC[C@H](Oc3cccc(F)c3)[C@@H]2C1 ZINC000257254099 209061701 /nfs/dbraw/zinc/06/17/01/209061701.db2.gz KBOVAXIGPJLRFD-NBCNXNJRSA-N 0 0 376.431 4.304 40 0 GIABRN CCCc1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)n(C)n1 ZINC000257208167 209055338 /nfs/dbraw/zinc/05/53/38/209055338.db2.gz BLAHEASFZBXCKU-FQEVSTJZSA-N 0 0 392.503 4.319 40 0 GIABRN COCCC(=O)N[C@@]1(C)C[C@H](c2ccc3ncccc3c2)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257205118 209056371 /nfs/dbraw/zinc/05/63/71/209056371.db2.gz AXSYBUFUNRHNDP-PMCWDRFCSA-N 0 0 396.531 4.412 40 0 GIABRN O=C(c1ccccn1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257214246 209057965 /nfs/dbraw/zinc/05/79/65/209057965.db2.gz CLFJCTFHIDMKQE-INIZCTEOSA-N 0 0 381.863 4.334 40 0 GIABRN Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)c3cnc(C)nc3C)C2)n1 ZINC000257218620 209058037 /nfs/dbraw/zinc/05/80/37/209058037.db2.gz DDUXFBPHXPMXRZ-FQEVSTJZSA-N 0 0 386.499 4.484 40 0 GIABRN Cc1nccc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)n1 ZINC000257215411 209058102 /nfs/dbraw/zinc/05/81/02/209058102.db2.gz CPZJQCLYIIXMHF-LJQANCHMSA-N 0 0 396.878 4.385 40 0 GIABRN Cc1cccc(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)n1 ZINC000257253881 209059577 /nfs/dbraw/zinc/05/95/77/209059577.db2.gz KAQRXRCZBVLNHY-KRWDZBQOSA-N 0 0 379.435 4.128 40 0 GIABRN Cc1cc(Cc2ccccc2C)cc([C@H]2CN(C(=O)C3CCCC3)CCO2)n1 ZINC000257247562 209059859 /nfs/dbraw/zinc/05/98/59/209059859.db2.gz IZNBIYLMNGLTTN-HSZRJFAPSA-N 0 0 378.516 4.379 40 0 GIABRN CCCC(=O)N1CCC(Cc2cccc(-c3ccccc3)c2)(C(=O)NCC)CC1 ZINC000257249119 209060283 /nfs/dbraw/zinc/06/02/83/209060283.db2.gz JGWPNUHHLMVKRC-UHFFFAOYSA-N 0 0 392.543 4.441 40 0 GIABRN O=C(c1ccccn1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257257140 209061453 /nfs/dbraw/zinc/06/14/53/209061453.db2.gz KOFLAYVWEBWCFM-MRXNPFEDSA-N 0 0 381.863 4.334 40 0 GIABRN C[C@H]1CC[C@H]2[C@H](O1)c1cc(OCC(=O)NCc3ccccc3)ccc1OC2(C)C ZINC000257268434 209064365 /nfs/dbraw/zinc/06/43/65/209064365.db2.gz MLRDVVPUYXQWJZ-ITSWEJNFSA-N 0 0 395.499 4.409 40 0 GIABRN CNc1ncccc1CN1CCCC[C@@H]1c1cc(C)nc(-c2c(C)noc2C)n1 ZINC000257271910 209064540 /nfs/dbraw/zinc/06/45/40/209064540.db2.gz NAHUWGBOKUHUQV-LJQANCHMSA-N 0 0 392.507 4.221 40 0 GIABRN CC(C)C(=O)Nc1ccc(C(=O)OCC(=O)c2ccc3ccccc3c2)cc1 ZINC000016574959 221364868 /nfs/dbraw/zinc/36/48/68/221364868.db2.gz ZYWDMZDTGVSUGA-UHFFFAOYSA-N 0 0 375.424 4.474 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@H]2c2ncc(Cc3ccccc3F)o2)s1 ZINC000257293401 209068001 /nfs/dbraw/zinc/06/80/01/209068001.db2.gz QPIHSAVDKMOBCD-KRWDZBQOSA-N 0 0 385.464 4.455 40 0 GIABRN Cc1noc(C)c1-c1cc(C)nc([C@H]2CCCCN2Cc2ccncc2C)n1 ZINC000257299843 209071080 /nfs/dbraw/zinc/07/10/80/209071080.db2.gz RRVGHAAVNDRCQY-HXUWFJFHSA-N 0 0 377.492 4.487 40 0 GIABRN COc1ccc(F)cc1-c1ccc(CC2(C(=O)N3CCCC3)CCOCC2)cc1 ZINC000257301706 209071314 /nfs/dbraw/zinc/07/13/14/209071314.db2.gz RZNFUMDFFDAOHB-UHFFFAOYSA-N 0 0 397.490 4.463 40 0 GIABRN COc1ccc(/C=C2\SC(Nc3cc(Cl)ccc3OC)NC2=O)c(C)c1 ZINC000408805241 533241703 /nfs/dbraw/zinc/24/17/03/533241703.db2.gz FHEPSHFJAUSFNB-UHFFFAOYSA-N 0 0 389.884 4.429 40 0 GIABRN COCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)cc2)C1=O ZINC000409129935 533340964 /nfs/dbraw/zinc/34/09/64/533340964.db2.gz LJRSGMODKJDWQS-LDADJPATSA-N 0 0 387.432 4.087 40 0 GIABRN COc1c(Cl)cc(Cl)cc1/C=C1\NC(=S)N(C2CCCCC2)C1=O ZINC000409080885 533422340 /nfs/dbraw/zinc/42/23/40/533422340.db2.gz OBXVIMCKVMNBIN-ZSOIEALJSA-N 0 0 385.316 4.392 40 0 GIABRN COc1c(F)c(F)c(C(=O)Nc2ccccc2N2CCCCC2)c(F)c1F ZINC000408622612 533428175 /nfs/dbraw/zinc/42/81/75/533428175.db2.gz PPOCZYBSIDJHKG-UHFFFAOYSA-N 0 0 382.357 4.494 40 0 GIABRN COc1ccc(CCCC(=O)N[C@@H]2NC(c3ccccc3)=C(C)S2)c(C)c1 ZINC000408914609 533467151 /nfs/dbraw/zinc/46/71/51/533467151.db2.gz OKDCWPRXTROVGA-JOCHJYFZSA-N 0 0 382.529 4.451 40 0 GIABRN CC(=O)NCCCCCC(=O)N1C[C@@H]2[C@@H](Cc3cccc(Cl)c3)CC[C@@H]2C1 ZINC000257311314 209073018 /nfs/dbraw/zinc/07/30/18/209073018.db2.gz UIWSXXVXXSJZTL-SFHLNBCPSA-N 0 0 390.955 4.064 40 0 GIABRN CC[C@H]1Oc2ccc([C@H](O)c3ccco3)cc2N(Cc2cccc(OC)c2)C1=O ZINC000072343091 136168731 /nfs/dbraw/zinc/16/87/31/136168731.db2.gz SXSFKXBRNPBPNR-KNQAVFIVSA-N 0 0 393.439 4.074 40 0 GIABRN Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc(N4CCOCC4)c(Cl)c3)cc12 ZINC000072396073 136169237 /nfs/dbraw/zinc/16/92/37/136169237.db2.gz KFUXZRFFUKGLGD-UHFFFAOYSA-N 0 0 397.906 4.247 40 0 GIABRN COc1ccc(-c2cc3nc4c(c(N5C[C@H](C)C[C@@H](C)C5)n3n2)CCC4)cc1 ZINC000001340941 136193157 /nfs/dbraw/zinc/19/31/57/136193157.db2.gz HMRYWIDYNFHTOD-HZPDHXFCSA-N 0 0 376.504 4.376 40 0 GIABRN COc1ccc(-c2cc3nc4c(c(N5C[C@H](C)C[C@H](C)C5)n3n2)CCC4)cc1 ZINC000013562644 136201202 /nfs/dbraw/zinc/20/12/02/136201202.db2.gz HMRYWIDYNFHTOD-IYBDPMFKSA-N 0 0 376.504 4.376 40 0 GIABRN Cc1cc2cc(CNc3ccc(N4CCOCC4)c(Cl)c3)c(=O)[nH]c2cc1C ZINC000013561298 136201254 /nfs/dbraw/zinc/20/12/54/136201254.db2.gz VUVHJOWZJGAZFJ-UHFFFAOYSA-N 0 0 397.906 4.247 40 0 GIABRN Cc1ccc(N2CCC(C(=O)NCCCN3CCCc4ccccc43)CC2)cc1 ZINC000219867111 136204330 /nfs/dbraw/zinc/20/43/30/136204330.db2.gz DEABDFPSGFBHPD-UHFFFAOYSA-N 0 0 391.559 4.171 40 0 GIABRN CCCCNC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(C)cc2)CC1 ZINC000219858086 136204464 /nfs/dbraw/zinc/20/44/64/136204464.db2.gz WHFXUDDSAJVFTP-UHFFFAOYSA-N 0 0 393.531 4.380 40 0 GIABRN Cc1ccc(N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)cc1 ZINC000219856104 136204476 /nfs/dbraw/zinc/20/44/76/136204476.db2.gz KLGMQBMZCHNESD-UHFFFAOYSA-N 0 0 397.950 4.214 40 0 GIABRN Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1N1CCCCS1(=O)=O ZINC000222568340 136204874 /nfs/dbraw/zinc/20/48/74/136204874.db2.gz XTSMKZNTPFZNOC-UHFFFAOYSA-N 0 0 386.517 4.301 40 0 GIABRN C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCCCc3ccccc3)cn2)C1 ZINC000223963611 136206174 /nfs/dbraw/zinc/20/61/74/136206174.db2.gz FNQHMPUUVNSJGV-QZTJIDSGSA-N 0 0 382.577 4.483 40 0 GIABRN Cc1cccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)on3)CC2)c1C ZINC000224069384 136206370 /nfs/dbraw/zinc/20/63/70/136206370.db2.gz URZCAKUSJRMQMJ-UHFFFAOYSA-N 0 0 379.435 4.060 40 0 GIABRN COc1cc(C)ccc1CN1CCO[C@@H](c2cncc(-c3cccc(F)c3)n2)C1 ZINC000257320507 209073729 /nfs/dbraw/zinc/07/37/29/209073729.db2.gz VXDFNCMSDSTXTB-HSZRJFAPSA-N 0 0 393.462 4.173 40 0 GIABRN O=C(c1cccnn1)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257320070 209073991 /nfs/dbraw/zinc/07/39/91/209073991.db2.gz VVFPCORDRGMLEY-GOSISDBHSA-N 0 0 382.851 4.076 40 0 GIABRN Cn1nccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257319290 209074107 /nfs/dbraw/zinc/07/41/07/209074107.db2.gz VRSYLXRHOHNQLF-QGZVFWFLSA-N 0 0 384.867 4.020 40 0 GIABRN CC1(C)CC[C@H]2CN(S(=O)(=O)c3ccc(-c4cccs4)cc3)CC[C@H]2O1 ZINC000257318814 209075358 /nfs/dbraw/zinc/07/53/58/209075358.db2.gz VPMMKRRDDXWRDQ-FUHWJXTLSA-N 0 0 391.558 4.383 40 0 GIABRN Cc1c2ccc(C)cc2oc1C(=O)N1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1 ZINC000257328843 209076608 /nfs/dbraw/zinc/07/66/08/209076608.db2.gz XHIIVHXWUCJASW-ICSRJNTNSA-N 0 0 397.446 4.233 40 0 GIABRN O=C(c1ccc2ccccc2n1)N1CCC[C@@]2(C[C@@H](Oc3ccccc3)CO2)C1 ZINC000257332837 209076767 /nfs/dbraw/zinc/07/67/67/209076767.db2.gz XYXROLMXPWWXRR-HYBUGGRVSA-N 0 0 388.467 4.078 40 0 GIABRN CNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)CC(C)C)CC1 ZINC000257330090 209077101 /nfs/dbraw/zinc/07/71/01/209077101.db2.gz XMTHHLDCTHLSSQ-UHFFFAOYSA-N 0 0 392.543 4.297 40 0 GIABRN O=C(COc1cccc(F)c1)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257325633 209077371 /nfs/dbraw/zinc/07/73/71/209077371.db2.gz WTTLAUZOCQWNMT-SFHVURJKSA-N 0 0 394.446 4.190 40 0 GIABRN CCn1cc(CN2CCO[C@@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)cn1 ZINC000257333973 209078256 /nfs/dbraw/zinc/07/82/56/209078256.db2.gz YDYQTYISYLKCNU-JOCHJYFZSA-N 0 0 396.922 4.116 40 0 GIABRN Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)/C=C/c3ccccc3)C2)n1 ZINC000257334624 209078924 /nfs/dbraw/zinc/07/89/24/209078924.db2.gz YGSBOEMCZCDHJF-SGWGQVFISA-N 0 0 387.483 4.458 40 0 GIABRN Cc1noc(C)c1-c1nccc([C@H]2CCCN2C(=O)c2c(F)cccc2F)n1 ZINC000257335639 209079008 /nfs/dbraw/zinc/07/90/08/209079008.db2.gz YLDJBBSGKBRNAJ-MRXNPFEDSA-N 0 0 384.386 4.004 40 0 GIABRN O=C(COc1ccccc1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257343031 209079072 /nfs/dbraw/zinc/07/90/72/209079072.db2.gz ZRDVRAHASOSKAO-GOSISDBHSA-N 0 0 394.446 4.190 40 0 GIABRN O=C(c1ccccn1)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257335594 209079337 /nfs/dbraw/zinc/07/93/37/209079337.db2.gz YKYSHDUDLYTLAP-MRXNPFEDSA-N 0 0 381.863 4.334 40 0 GIABRN Cc1cccnc1C(=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257342318 209079398 /nfs/dbraw/zinc/07/93/98/209079398.db2.gz ZOCNSJUCVVMHLF-QGZVFWFLSA-N 0 0 379.435 4.128 40 0 GIABRN CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC[C@H](OC)C1)c1nc2cccnc2n1C(C)C ZINC000072342226 222232261 /nfs/dbraw/zinc/23/22/61/222232261.db2.gz WTPIMVBSPBFFDA-ZMMAXQRCSA-N 0 0 386.540 4.421 40 0 GIABRN Cn1nccc1C(=O)N1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000072350046 222235889 /nfs/dbraw/zinc/23/58/89/222235889.db2.gz CNVIPCNJFYTPII-UHFFFAOYSA-N 0 0 394.906 4.079 40 0 GIABRN Cn1ccc(C(=O)N2CCC[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)n1 ZINC000072349924 222236318 /nfs/dbraw/zinc/23/63/18/222236318.db2.gz KIYIKDYHRYNTCX-KRWDZBQOSA-N 0 0 394.906 4.079 40 0 GIABRN Cn1ccnc1C(=O)N1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072350242 222236394 /nfs/dbraw/zinc/23/63/94/222236394.db2.gz DMGBGTLRSPDTQH-QGZVFWFLSA-N 0 0 394.906 4.079 40 0 GIABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)Nc2c(C)n[nH]c2C)cc1 ZINC000014404398 533839630 /nfs/dbraw/zinc/83/96/30/533839630.db2.gz YNZBZVYSDGRCKF-UHFFFAOYSA-N 0 0 398.850 4.193 40 0 GIABRN C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000409135226 534011294 /nfs/dbraw/zinc/01/12/94/534011294.db2.gz VTZOUOSFYSBZBR-OAHLLOKOSA-N 0 0 380.469 4.329 40 0 GIABRN Cc1cc2nc3s/c(=C\c4ccc(N5CCCCCC5)o4)c(=O)n3c2cc1C ZINC000409389257 534133768 /nfs/dbraw/zinc/13/37/68/534133768.db2.gz AQYRWQIUQADFBF-UYRXBGFRSA-N 0 0 393.512 4.047 40 0 GIABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)C(Cl)(Cl)Cl ZINC000408620717 534141524 /nfs/dbraw/zinc/14/15/24/534141524.db2.gz JMRRESZFHGGILK-UHFFFAOYSA-N 0 0 387.629 4.177 40 0 GIABRN COc1ccc(NC(=O)c2cccc(OC(=S)N3CCC(C)CC3)c2)cc1 ZINC000408721442 534172829 /nfs/dbraw/zinc/17/28/29/534172829.db2.gz IDFCMDHQRZQLIC-UHFFFAOYSA-N 0 0 384.501 4.343 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 ZINC000408714316 534204380 /nfs/dbraw/zinc/20/43/80/534204380.db2.gz OCXNQQHFWVJICD-UHFFFAOYSA-N 0 0 399.516 4.163 40 0 GIABRN Cc1ccc(-c2nnc(CN(C)C(=O)COc3ccc(Cl)cc3C)o2)cc1 ZINC000408714211 534222130 /nfs/dbraw/zinc/22/21/30/534222130.db2.gz LIXFODAKJHDYBS-UHFFFAOYSA-N 0 0 385.851 4.044 40 0 GIABRN COc1ccc(OC)c(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)c1 ZINC000408814164 534224004 /nfs/dbraw/zinc/22/40/04/534224004.db2.gz OAYXUYSVQFTCIW-UHFFFAOYSA-N 0 0 389.884 4.429 40 0 GIABRN CCOC(=O)c1ccc2[nH]c(-c3ccc(I)cc3)nc2c1 ZINC000226235652 521531073 /nfs/dbraw/zinc/53/10/73/521531073.db2.gz YUJDUQWUWRGQHV-UHFFFAOYSA-N 0 0 392.196 4.011 40 0 GIABRN Cn1c(=O)sc2cc(NC(=O)CSCc3c(F)cccc3Cl)ccc21 ZINC000225023226 534674940 /nfs/dbraw/zinc/67/49/40/534674940.db2.gz OENMHTBSRHHJEH-UHFFFAOYSA-N 0 0 396.896 4.264 40 0 GIABRN O=C1NC(=Cc2cccn2-c2ccccc2F)C(=O)N1c1ccc(Cl)cc1 ZINC000409243166 534781070 /nfs/dbraw/zinc/78/10/70/534781070.db2.gz ZJZNDADYZRTBIL-SFQUDFHCSA-N 0 0 381.794 4.367 40 0 GIABRN O=C1NC(Nc2ccccc2F)S/C1=C\c1cccc(Br)c1 ZINC000408812749 534802428 /nfs/dbraw/zinc/80/24/28/534802428.db2.gz TVMCMPMKJCNHLD-UHFFFAOYSA-N 0 0 378.246 4.351 40 0 GIABRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)OCc2ccccc2)CC1 ZINC000306478480 526476398 /nfs/dbraw/zinc/47/63/98/526476398.db2.gz HKOWSIRMWSXIHC-QAQDUYKDSA-N 0 0 376.497 4.244 40 0 GIABRN CC(C)(C)c1ccc(CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000059498031 526775857 /nfs/dbraw/zinc/77/58/57/526775857.db2.gz SRFYPJRGZHUZAP-UHFFFAOYSA-N 0 0 378.394 4.258 40 0 GIABRN CC(C)(C)C1CCC(NC(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000408706649 527632365 /nfs/dbraw/zinc/63/23/65/527632365.db2.gz BRUDRBMXBXTDOB-UHFFFAOYSA-N 0 0 381.314 4.109 40 0 GIABRN CC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000408708258 527632686 /nfs/dbraw/zinc/63/26/86/527632686.db2.gz WORCCIUHDOJLFG-UHFFFAOYSA-N 0 0 381.314 4.109 40 0 GIABRN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(C(=O)Nc3ccc(F)cc3)cc1)C2=O ZINC000408722455 527895520 /nfs/dbraw/zinc/89/55/20/527895520.db2.gz UKTFIIOJEOOFQV-FDDCHVKYSA-N 0 0 394.446 4.394 40 0 GIABRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C(C)C)c(OC)cc2C)C1=O ZINC000409018454 527958006 /nfs/dbraw/zinc/95/80/06/527958006.db2.gz WVJBTVZCHWMTSX-VZWMTCDZSA-N 0 0 391.489 4.115 40 0 GIABRN CCCCCC(=O)Nc1ccc(N2CCN(C(=O)CCC)CC2)c(Cl)c1 ZINC000408628863 528111652 /nfs/dbraw/zinc/11/16/52/528111652.db2.gz FDXOHATVRWYXDW-UHFFFAOYSA-N 0 0 379.932 4.308 40 0 GIABRN CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C1=O ZINC000409230877 528174574 /nfs/dbraw/zinc/17/45/74/528174574.db2.gz GWPUPKLUGJJPBJ-LDADJPATSA-N 0 0 398.434 4.106 40 0 GIABRN CCOc1cc(C)c(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1C(C)C ZINC000409070323 528239525 /nfs/dbraw/zinc/23/95/25/528239525.db2.gz NYQDUYVTBHWQJU-VGSSETLESA-N 0 0 391.489 4.115 40 0 GIABRN CCC(=O)Nc1cc(S(=O)(=O)Nc2c(C)cccc2C(C)C)ccc1OC ZINC000408698688 528425062 /nfs/dbraw/zinc/42/50/62/528425062.db2.gz RJURWCIZQUQZDD-UHFFFAOYSA-N 0 0 390.505 4.276 40 0 GIABRN CCCNC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2C(C)C)ccc1C ZINC000408607966 528443809 /nfs/dbraw/zinc/44/38/09/528443809.db2.gz RFLGUDLFWLGXFI-UHFFFAOYSA-N 0 0 388.533 4.367 40 0 GIABRN CCOc1ccc(Cl)cc1/C=C1\NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000409119177 528471100 /nfs/dbraw/zinc/47/11/00/528471100.db2.gz RRWJGLMMMZMJPK-YBEGLDIGSA-N 0 0 391.254 4.485 40 0 GIABRN CCOc1ccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)C)cc3)CC2=O)cc1 ZINC000408656956 528483434 /nfs/dbraw/zinc/48/34/34/528483434.db2.gz HYQHDHTXDBXGNA-INIZCTEOSA-N 0 0 381.472 4.341 40 0 GIABRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1ccc(O)cc1)N2 ZINC000409350217 528595648 /nfs/dbraw/zinc/59/56/48/528595648.db2.gz RHJVAHTXHJXJQI-MUKKUYKPSA-N 0 0 398.425 4.307 40 0 GIABRN CCCCc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)CC)c2)cc1 ZINC000408699339 529026978 /nfs/dbraw/zinc/02/69/78/529026978.db2.gz WLNDMICUJJVWDR-UHFFFAOYSA-N 0 0 390.505 4.187 40 0 GIABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C)cc2C)ccc1OCC ZINC000408586709 529107578 /nfs/dbraw/zinc/10/75/78/529107578.db2.gz PZIQEWKZUGAOQK-UHFFFAOYSA-N 0 0 392.477 4.071 40 0 GIABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000408702361 529159625 /nfs/dbraw/zinc/15/96/25/529159625.db2.gz DYTXQWOVFOJSAK-NRFANRHFSA-N 0 0 396.487 4.117 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCN1CCCc2ccccc21 ZINC000219617925 535817837 /nfs/dbraw/zinc/81/78/37/535817837.db2.gz YIIGAOGDODJITF-OAQYLSRUSA-N 0 0 386.923 4.457 40 0 GIABRN CC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000118913923 560045514 /nfs/dbraw/zinc/04/55/14/560045514.db2.gz XEFQRGKUCOMYSC-BLFIMETGSA-N 0 0 388.548 4.399 40 0 biogenic,in-vitro GIABRN c1nc2c([nH]1)CN(CCCc1ccccc1)[C@H](c1nc(Cc3ccccc3)no1)C2 ZINC000015675676 560094928 /nfs/dbraw/zinc/09/49/28/560094928.db2.gz DHSWIGJQGZMJRI-QFIPXVFZSA-N 0 0 399.498 4.116 40 0 biogenic,in-vitro GIABRN O=C(Nc1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3ccccc3)c12 ZINC000006137696 560205416 /nfs/dbraw/zinc/20/54/16/560205416.db2.gz MTGYSZBOWDWUQB-PKOBYXMFSA-N 0 0 385.467 4.167 40 0 biogenic,in-vitro GIABRN FC(F)(F)Oc1ccccc1Nc1cc(-c2ccccc2)nc(NC2CC2)n1 ZINC000329019873 570213085 /nfs/dbraw/zinc/21/30/85/570213085.db2.gz NYSDTVJCRRAVIA-UHFFFAOYSA-N 0 0 386.377 4.204 40 0 GIABRN Cc1cccc(Cl)c1Nc1cc(-c2ccncc2)nc(N[C@H](CO)C(C)C)n1 ZINC000329039110 570213997 /nfs/dbraw/zinc/21/39/97/570213997.db2.gz RVJXRAFLXBEIFK-GOSISDBHSA-N 0 0 397.910 4.095 40 0 GIABRN Fc1cc(F)cc(CNc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)c1 ZINC000329040312 570214503 /nfs/dbraw/zinc/21/45/03/570214503.db2.gz SDEFXVJORJAZTP-UHFFFAOYSA-N 0 0 395.457 4.017 40 0 GIABRN O=C(/C=C/c1cccnc1)N1CCC[C@@H](Cc2ccnc(Nc3ccccn3)c2)C1 ZINC000585293193 570262312 /nfs/dbraw/zinc/26/23/12/570262312.db2.gz RVSCQVAKPNWRFU-SHBDEGQCSA-N 0 0 399.498 4.110 40 0 GIABRN CC(C)c1ccc2[nH]c3nc(SCC(=O)Nc4ccc(F)cc4)nnc3c2c1 ZINC000005625170 570271934 /nfs/dbraw/zinc/27/19/34/570271934.db2.gz IZPXQRFXWBZYIS-UHFFFAOYSA-N 0 0 395.463 4.499 40 0 GIABRN O=C(Nc1nc([C@H]2CCCN2Cc2cn[nH]c2)cs1)c1cccc(Cl)c1 ZINC000585295406 570279785 /nfs/dbraw/zinc/27/97/85/570279785.db2.gz YKSRIVWROIVKMM-MRXNPFEDSA-N 0 0 387.896 4.109 40 0 GIABRN CCC(=O)NC(=S)Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C ZINC000020976583 570288559 /nfs/dbraw/zinc/28/85/59/570288559.db2.gz HOQAVTQUSPKZOZ-UHFFFAOYSA-N 0 0 381.505 4.075 40 0 GIABRN CCc1ccc(N(CC(=O)c2ccc3c(c2)OCCO3)C2=NCCCC2)cc1 ZINC000006870965 570294319 /nfs/dbraw/zinc/29/43/19/570294319.db2.gz XOFARRQYVGHSAB-UHFFFAOYSA-N 0 0 378.472 4.292 40 0 GIABRN COc1ccccc1NC(=O)CSc1nnc(COc2ccc(C)c(C)c2)o1 ZINC000216030803 570294959 /nfs/dbraw/zinc/29/49/59/570294959.db2.gz ZGSULFCTAXBTHF-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN Cc1cccc(NC(=O)CSc2nnc(COc3cc(C)cc(C)c3)o2)c1 ZINC000216034635 570295037 /nfs/dbraw/zinc/29/50/37/570295037.db2.gz HVWQMFPLFAXDAG-UHFFFAOYSA-N 0 0 383.473 4.305 40 0 GIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCSCc1ccccc1F ZINC000216290213 570298657 /nfs/dbraw/zinc/29/86/57/570298657.db2.gz FLFQCBDTBWEHBZ-LJQANCHMSA-N 0 0 377.481 4.041 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2cccc(OC)c2)ccc1Cl ZINC000216356552 570299711 /nfs/dbraw/zinc/29/97/11/570299711.db2.gz INKHVPJKHIDJRJ-GOSISDBHSA-N 0 0 391.851 4.321 40 0 GIABRN O=C1CCCN1c1ccc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000216418101 570301369 /nfs/dbraw/zinc/30/13/69/570301369.db2.gz IBLGKWDDDMFXIP-UHFFFAOYSA-N 0 0 399.299 4.062 40 0 GIABRN CC(C)Oc1ccccc1CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000042645923 570303190 /nfs/dbraw/zinc/30/31/90/570303190.db2.gz GOXPVCOAEAFWRR-UHFFFAOYSA-N 0 0 381.259 4.036 40 0 GIABRN Cc1cc(-n2nc3ccc(N)c(Br)c3n2)c(C)cc1Br ZINC000575415175 570306128 /nfs/dbraw/zinc/30/61/28/570306128.db2.gz XDKNJLUMQULVJY-UHFFFAOYSA-N 0 0 396.086 4.145 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cnc(N3CCCC3)c(C)c2)cc1 ZINC000072218838 570317818 /nfs/dbraw/zinc/31/78/18/570317818.db2.gz LKOQTXSKFBPWCJ-OAQYLSRUSA-N 0 0 399.560 4.215 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N3CCCCC3)nc2C)cc1 ZINC000072219290 570318255 /nfs/dbraw/zinc/31/82/55/570318255.db2.gz ZACSNJBARZLKOZ-NRFANRHFSA-N 0 0 399.560 4.215 40 0 GIABRN Cc1cc(C)n(Cc2ccc(C(=O)NCCSCc3ccccc3F)cc2)n1 ZINC000109476786 570320657 /nfs/dbraw/zinc/32/06/57/570320657.db2.gz XDNJAJHKQSKZOP-UHFFFAOYSA-N 0 0 397.519 4.351 40 0 GIABRN Cc1cc(C)cc(N(CCCC(=O)Nc2cccc(C)c2C)S(C)(=O)=O)c1 ZINC000113968148 570338749 /nfs/dbraw/zinc/33/87/49/570338749.db2.gz NSFOLPGJWNAAEY-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN Cc1ccc(OC[C@@H](C)NC(=O)COc2ccc(Br)c(C)c2)cc1 ZINC000218828456 570341680 /nfs/dbraw/zinc/34/16/80/570341680.db2.gz OURURKUYYAXPMX-OAHLLOKOSA-N 0 0 392.293 4.028 40 0 GIABRN COc1cc(CNC(=O)COc2ccc(Cl)c(C)c2)ccc1OC(C)C ZINC000218938134 570343980 /nfs/dbraw/zinc/34/39/80/570343980.db2.gz GVUSGXKPMLRWRZ-UHFFFAOYSA-N 0 0 377.868 4.139 40 0 GIABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1ccc(F)cc1 ZINC000006056854 570346094 /nfs/dbraw/zinc/34/60/94/570346094.db2.gz YZNMFFRCLWZIKR-SNVBAGLBSA-N 0 0 386.206 4.082 40 0 GIABRN COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1 ZINC000006085028 570346398 /nfs/dbraw/zinc/34/63/98/570346398.db2.gz BBSLWLXTDQIDAC-UHFFFAOYSA-N 0 0 388.634 4.451 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)ccc3C)n2)c1 ZINC000219076847 570347452 /nfs/dbraw/zinc/34/74/52/570347452.db2.gz SNOZRLISFYXSAS-KRWDZBQOSA-N 0 0 379.460 4.088 40 0 GIABRN Cc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1 ZINC000219300127 570352431 /nfs/dbraw/zinc/35/24/31/570352431.db2.gz YLUHQXAJFKFYIU-INIZCTEOSA-N 0 0 379.460 4.252 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1cccc(C)c1C ZINC000219310582 570353998 /nfs/dbraw/zinc/35/39/98/570353998.db2.gz DAEKQYWVEMMLDP-LPHOPBHVSA-N 0 0 383.488 4.498 40 0 GIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCCc1cccc(OC(C)C)c1 ZINC000219356204 570356659 /nfs/dbraw/zinc/35/66/59/570356659.db2.gz GLFLJWJFPYXKEU-JOCHJYFZSA-N 0 0 385.504 4.389 40 0 GIABRN CCOc1ccccc1CNC(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000219469550 570363775 /nfs/dbraw/zinc/36/37/75/570363775.db2.gz MZJMOUJQQRQYCE-UHFFFAOYSA-N 0 0 388.467 4.295 40 0 GIABRN COC(=O)n1c2ccccc2nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000004243588 570363718 /nfs/dbraw/zinc/36/37/18/570363718.db2.gz DVOUHLFXDIKOHX-UHFFFAOYSA-N 0 0 375.837 4.035 40 0 GIABRN Cc1cc(C)cc(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1 ZINC000219554323 570366751 /nfs/dbraw/zinc/36/67/51/570366751.db2.gz UKLZYDFHROCQAM-OAHLLOKOSA-N 0 0 399.878 4.433 40 0 GIABRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2cccc(C)c2)cc1 ZINC000408621217 570370387 /nfs/dbraw/zinc/37/03/87/570370387.db2.gz LVBFJMBUDJGOBB-UHFFFAOYSA-N 0 0 378.501 4.053 40 0 GIABRN C[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)[C@H](C)CN1Cc1ccco1 ZINC000057731525 570371780 /nfs/dbraw/zinc/37/17/80/570371780.db2.gz LQKWWUNENSOBGP-HUUCEWRRSA-N 0 0 399.878 4.323 40 0 GIABRN Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000219687413 570373145 /nfs/dbraw/zinc/37/31/45/570373145.db2.gz ZRPDHZQKXWIZCG-HUUCEWRRSA-N 0 0 392.293 4.109 40 0 GIABRN COc1ccc(-c2nnc(SCC(=O)N(c3ccccc3)C(C)C)o2)cc1 ZINC000004475397 570376796 /nfs/dbraw/zinc/37/67/96/570376796.db2.gz RXABEUCRLUXXCT-UHFFFAOYSA-N 0 0 383.473 4.279 40 0 GIABRN COc1c(C)cccc1C(=O)NC(=S)Nc1nc2c(s1)c(C)ccc2C ZINC000408626909 570379088 /nfs/dbraw/zinc/37/90/88/570379088.db2.gz JIQQIESYDDONCG-UHFFFAOYSA-N 0 0 385.514 4.357 40 0 GIABRN COc1ccc(O)c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 ZINC000408627578 570380019 /nfs/dbraw/zinc/38/00/19/570380019.db2.gz LVTQPZQRGSGGMO-UHFFFAOYSA-N 0 0 386.860 4.334 40 0 GIABRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)CC(C)C)cc3O)oc2c1 ZINC000408628942 570380793 /nfs/dbraw/zinc/38/07/93/570380793.db2.gz YLTQQVKDPSQLII-UHFFFAOYSA-N 0 0 383.473 4.368 40 0 GIABRN CCN1C(=O)S/C(=C/c2cccn2-c2cccc(Br)c2)C1=O ZINC000004514419 570380853 /nfs/dbraw/zinc/38/08/53/570380853.db2.gz FSOPSNPMRKSHOI-GXDHUFHOSA-N 0 0 377.263 4.296 40 0 GIABRN O=C(NC(=S)NCc1ccccc1)c1cccc2c(Br)cccc12 ZINC000408628983 570381068 /nfs/dbraw/zinc/38/10/68/570381068.db2.gz YYVSBNPQTMJRTH-UHFFFAOYSA-N 0 0 399.313 4.407 40 0 GIABRN CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1Cl ZINC000408629006 570381077 /nfs/dbraw/zinc/38/10/77/570381077.db2.gz HPDZVGJFRQSFBX-JTQLQIEISA-N 0 0 392.908 4.276 40 0 GIABRN CCc1ccc(N([C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 ZINC000220261900 570383955 /nfs/dbraw/zinc/38/39/55/570383955.db2.gz PKUMOBPWINBCGV-INIZCTEOSA-N 0 0 388.533 4.166 40 0 GIABRN CCc1ccc(N([C@@H](C)C(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)cc1 ZINC000220269820 570384231 /nfs/dbraw/zinc/38/42/31/570384231.db2.gz YNBTZANWXAIJBP-AWEZNQCLSA-N 0 0 394.924 4.004 40 0 GIABRN Cc1cc(C)cc(NC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 ZINC000220351816 570385519 /nfs/dbraw/zinc/38/55/19/570385519.db2.gz DLVDZKHBNLPQGQ-HNNXBMFYSA-N 0 0 394.924 4.058 40 0 GIABRN CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220529680 570388144 /nfs/dbraw/zinc/38/81/44/570388144.db2.gz DZNCUFKPJVMXJP-IBGZPJMESA-N 0 0 388.533 4.104 40 0 GIABRN CCc1ccc(NC(=O)[C@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000220533550 570388188 /nfs/dbraw/zinc/38/81/88/570388188.db2.gz CZLXSPFJMGLINW-IBGZPJMESA-N 0 0 388.533 4.049 40 0 GIABRN CN(c1cccc(C(=O)Nc2ccccc2Oc2ccccc2)c1)S(C)(=O)=O ZINC000222415169 570410200 /nfs/dbraw/zinc/41/02/00/570410200.db2.gz QGPOLHWGUIADPQ-UHFFFAOYSA-N 0 0 396.468 4.127 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 ZINC000222456238 570411285 /nfs/dbraw/zinc/41/12/85/570411285.db2.gz IEGDXSJEDDXMHL-OAQYLSRUSA-N 0 0 384.495 4.009 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C ZINC000222496210 570412709 /nfs/dbraw/zinc/41/27/09/570412709.db2.gz QQICMXSKSGBTMM-QHCPKHFHSA-N 0 0 394.559 4.486 40 0 GIABRN CCC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222548093 570413979 /nfs/dbraw/zinc/41/39/79/570413979.db2.gz MGSOFCHYTVLFKJ-JOCHJYFZSA-N 0 0 380.532 4.117 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 ZINC000222545096 570413991 /nfs/dbraw/zinc/41/39/91/570413991.db2.gz OKQPVKITSGRFPE-IAGOWNOFSA-N 0 0 394.515 4.500 40 0 GIABRN CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1O ZINC000222577163 570415009 /nfs/dbraw/zinc/41/50/09/570415009.db2.gz URJXNLZKVXVIKL-MZPVMMEZSA-N 0 0 389.908 4.429 40 0 GIABRN COc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1O ZINC000222572905 570415086 /nfs/dbraw/zinc/41/50/86/570415086.db2.gz HVFUZUNPSXRJAS-JQAFLVLXSA-N 0 0 375.881 4.039 40 0 GIABRN COc1cc(Cl)c([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC ZINC000222603381 570416535 /nfs/dbraw/zinc/41/65/35/570416535.db2.gz OEGBNFGSZGMKFW-UZCIPKQKSA-N 0 0 389.908 4.342 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000222625878 570417585 /nfs/dbraw/zinc/41/75/85/570417585.db2.gz HOQBTAMKWICMRG-REWPJTCUSA-N 0 0 394.559 4.302 40 0 GIABRN COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1 ZINC000222625344 570417668 /nfs/dbraw/zinc/41/76/68/570417668.db2.gz USKPCIBNNHDMKF-IWMITWMQSA-N 0 0 390.512 4.470 40 0 GIABRN O=C(CCc1ccc2c(c1)OCO2)NCCSCc1ccccc1Cl ZINC000222648598 570418784 /nfs/dbraw/zinc/41/87/84/570418784.db2.gz YBLXJIITRWBWKX-UHFFFAOYSA-N 0 0 377.893 4.051 40 0 GIABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(OC)c(O)cc3Cl)N21 ZINC000222673740 570419908 /nfs/dbraw/zinc/41/99/08/570419908.db2.gz JWGPBXLWGXVPOW-FJNPEDAXSA-N 0 0 389.908 4.429 40 0 GIABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl ZINC000222673759 570420152 /nfs/dbraw/zinc/42/01/52/570420152.db2.gz SXUNZVPPFJBXBL-MRXNPFEDSA-N 0 0 386.923 4.215 40 0 GIABRN Cn1c(C(=O)O[C@H](C(=O)NC2CCCC2)c2ccccc2)cc2sccc21 ZINC000004966899 570420143 /nfs/dbraw/zinc/42/01/43/570420143.db2.gz XHFCYBPWXIKFQT-IBGZPJMESA-N 0 0 382.485 4.197 40 0 GIABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3Cc3cccnc3)N21 ZINC000222685023 570420778 /nfs/dbraw/zinc/42/07/78/570420778.db2.gz MGGQBKSGUYMUQF-IOMROCGXSA-N 0 0 389.528 4.306 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccccc1F ZINC000222711957 570421934 /nfs/dbraw/zinc/42/19/34/570421934.db2.gz XGMVLIDRTRPNCP-GOSISDBHSA-N 0 0 389.492 4.486 40 0 GIABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000222719375 570422193 /nfs/dbraw/zinc/42/21/93/570422193.db2.gz DYUZAYLUXKPBRS-DYVFJYSZSA-N 0 0 375.852 4.146 40 0 GIABRN CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000222730045 570422714 /nfs/dbraw/zinc/42/27/14/570422714.db2.gz YJBCOJAVLRKLMT-ZWKOTPCHSA-N 0 0 386.883 4.267 40 0 GIABRN Cc1cccc(CSCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 ZINC000222737809 570423039 /nfs/dbraw/zinc/42/30/39/570423039.db2.gz DGLKVSNGJNDDTN-UHFFFAOYSA-N 0 0 394.496 4.390 40 0 GIABRN O=C(COc1cccc(Cl)c1)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000222765773 570424675 /nfs/dbraw/zinc/42/46/75/570424675.db2.gz PILMFDDTUXQOIU-UHFFFAOYSA-N 0 0 386.879 4.420 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1F ZINC000038594607 570424682 /nfs/dbraw/zinc/42/46/82/570424682.db2.gz RIOURHJDRDSXSY-UHFFFAOYSA-N 0 0 383.750 4.307 40 0 GIABRN CC[C@@H](Oc1ccccc1F)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000007382527 570425324 /nfs/dbraw/zinc/42/53/24/570425324.db2.gz PLFRLMGDYAOJPV-LJQANCHMSA-N 0 0 390.886 4.294 40 0 GIABRN O=C(N[C@H]1CCC[C@@H]2[C@@H](NC(=O)c3ccccc3)CCC[C@H]12)c1ccccc1 ZINC000005053192 570426362 /nfs/dbraw/zinc/42/63/62/570426362.db2.gz DXAWPSINMCXEFR-CMOCDZPBSA-N 0 0 376.500 4.184 40 0 GIABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 ZINC000222814291 570427277 /nfs/dbraw/zinc/42/72/77/570427277.db2.gz VCEGRQBPLDHFSP-KBPBESRZSA-N 0 0 382.352 4.287 40 0 GIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F ZINC000222885807 570429802 /nfs/dbraw/zinc/42/98/02/570429802.db2.gz JQHWEFHGNQOOMW-PMACEKPBSA-N 0 0 380.492 4.394 40 0 GIABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)nc1 ZINC000222908645 570430982 /nfs/dbraw/zinc/43/09/82/570430982.db2.gz QEECSACFGIURKG-LEWJYISDSA-N 0 0 391.544 4.204 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C)cc1 ZINC000222917971 570431433 /nfs/dbraw/zinc/43/14/33/570431433.db2.gz HHLZOCIEZPRTMJ-QGZVFWFLSA-N 0 0 386.923 4.134 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1Cl ZINC000222936268 570432103 /nfs/dbraw/zinc/43/21/03/570432103.db2.gz GNWAKQHXPAYWCL-ZDUSSCGKSA-N 0 0 379.909 4.267 40 0 GIABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000222954261 570432891 /nfs/dbraw/zinc/43/28/91/570432891.db2.gz AOMNPRZFQLRPGB-HXUWFJFHSA-N 0 0 382.504 4.485 40 0 GIABRN COc1ccc(C(=O)N2CCc3ccc(NC(=O)c4cccs4)cc32)cc1 ZINC000222955124 570433160 /nfs/dbraw/zinc/43/31/60/570433160.db2.gz PQGOSAXFAHUCQY-UHFFFAOYSA-N 0 0 378.453 4.212 40 0 GIABRN COc1ccc(C(=O)NCCCNc2ccnc3cc(Cl)ccc32)cc1C ZINC000222962977 570433426 /nfs/dbraw/zinc/43/34/26/570433426.db2.gz MKSIQWXMNHZPBS-UHFFFAOYSA-N 0 0 383.879 4.437 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222965104 570433721 /nfs/dbraw/zinc/43/37/21/570433721.db2.gz XCCSNOOPIKOALH-GOSISDBHSA-N 0 0 393.314 4.089 40 0 GIABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 ZINC000222977530 570434622 /nfs/dbraw/zinc/43/46/22/570434622.db2.gz HUQCGTGADBDEAA-LEWJYISDSA-N 0 0 392.528 4.351 40 0 GIABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 ZINC000222977599 570434685 /nfs/dbraw/zinc/43/46/85/570434685.db2.gz HUQCGTGADBDEAA-NHCUHLMSSA-N 0 0 392.528 4.351 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 ZINC000222997317 570436044 /nfs/dbraw/zinc/43/60/44/570436044.db2.gz TVULCEKXNBMQLP-QFIPXVFZSA-N 0 0 396.531 4.016 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccccc1 ZINC000222998966 570436390 /nfs/dbraw/zinc/43/63/90/570436390.db2.gz QYSDTYRYYRYYIO-FQEVSTJZSA-N 0 0 380.532 4.261 40 0 GIABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000223005358 570437058 /nfs/dbraw/zinc/43/70/58/570437058.db2.gz HMCCPATZXSGAEF-ZDUSSCGKSA-N 0 0 379.909 4.267 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 ZINC000223016448 570437419 /nfs/dbraw/zinc/43/74/19/570437419.db2.gz IFVDUQBNHNOUPF-NRFANRHFSA-N 0 0 398.572 4.339 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 ZINC000223016515 570437609 /nfs/dbraw/zinc/43/76/09/570437609.db2.gz IFVDUQBNHNOUPF-OAQYLSRUSA-N 0 0 398.572 4.339 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1 ZINC000223041262 570439099 /nfs/dbraw/zinc/43/90/99/570439099.db2.gz WFDXQYFVBJEPNU-FQEVSTJZSA-N 0 0 396.531 4.016 40 0 GIABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 ZINC000223047709 570439850 /nfs/dbraw/zinc/43/98/50/570439850.db2.gz MZDTYKZBCXBAHA-WOJBJXKFSA-N 0 0 384.549 4.007 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(C)c1 ZINC000223056286 570440727 /nfs/dbraw/zinc/44/07/27/570440727.db2.gz MSHLWWQIQXCDPR-OAQYLSRUSA-N 0 0 398.572 4.090 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000223061505 570441069 /nfs/dbraw/zinc/44/10/69/570441069.db2.gz KCPKVQGFPRTRBS-NRFANRHFSA-N 0 0 398.572 4.090 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000223090455 570442470 /nfs/dbraw/zinc/44/24/70/570442470.db2.gz AEIKWDNXFNABDU-QFIPXVFZSA-N 0 0 396.531 4.016 40 0 GIABRN Cc1ccc(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1C ZINC000223119949 570444648 /nfs/dbraw/zinc/44/46/48/570444648.db2.gz NSYFERJVIOSGLQ-FQEVSTJZSA-N 0 0 394.559 4.220 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1cc(C)ccc1C ZINC000223128859 570445479 /nfs/dbraw/zinc/44/54/79/570445479.db2.gz IBHSVGIJASRSMF-RBUKOAKNSA-N 0 0 398.522 4.317 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1cccc(C)c1 ZINC000223141651 570446265 /nfs/dbraw/zinc/44/62/65/570446265.db2.gz ODXSLMQYHVFYFB-ROUUACIJSA-N 0 0 384.495 4.009 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1 ZINC000223140334 570446274 /nfs/dbraw/zinc/44/62/74/570446274.db2.gz ASHJAKORCUYAFJ-FQEVSTJZSA-N 0 0 396.531 4.016 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1C ZINC000223141403 570446277 /nfs/dbraw/zinc/44/62/77/570446277.db2.gz XPZCDMIMHCOWLP-ROUUACIJSA-N 0 0 384.495 4.009 40 0 GIABRN CCCC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000039755062 570447901 /nfs/dbraw/zinc/44/79/01/570447901.db2.gz VSSORDVWRHRZDZ-UHFFFAOYSA-N 0 0 396.472 4.205 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1C ZINC000223178464 570448202 /nfs/dbraw/zinc/44/82/02/570448202.db2.gz MNPOTVILYAOILI-OAQYLSRUSA-N 0 0 380.532 4.260 40 0 GIABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCSC(C)(C)C)c1 ZINC000223193445 570449187 /nfs/dbraw/zinc/44/91/87/570449187.db2.gz LJXPJXQTWSLQQP-JXAWBTAJSA-N 0 0 386.517 4.007 40 0 GIABRN COc1ccc2cc(-c3nc4ccccn4c3NCc3ccccc3)c(=O)[nH]c2c1 ZINC000035289112 570453078 /nfs/dbraw/zinc/45/30/78/570453078.db2.gz VSEOFRSCUYYTLN-UHFFFAOYSA-N 0 0 396.450 4.464 40 0 GIABRN CC(C)(Cc1ccccc1)NC(=O)c1cccc(I)c1 ZINC000224969617 570456033 /nfs/dbraw/zinc/45/60/33/570456033.db2.gz GUESQZKKAXVZFM-UHFFFAOYSA-N 0 0 379.241 4.042 40 0 GIABRN COc1ccc2cc(-c3nc4ccccn4c3NCc3ccco3)c(=O)[nH]c2c1 ZINC000035289953 570455903 /nfs/dbraw/zinc/45/59/03/570455903.db2.gz QFAQOSHCVSIWMN-UHFFFAOYSA-N 0 0 386.411 4.057 40 0 GIABRN Cc1ccc(NC(=O)N2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccc(F)cc2)C3)cc1 ZINC000035290370 570456890 /nfs/dbraw/zinc/45/68/90/570456890.db2.gz RXZJNKUNBKUYHR-SEJPIABJSA-N 0 0 395.478 4.482 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1C[C@@H]1CCCO1 ZINC000223303991 570457262 /nfs/dbraw/zinc/45/72/62/570457262.db2.gz CENZMXQLBFTGEW-WMQCIHAUSA-N 0 0 396.560 4.150 40 0 GIABRN CCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000223339855 570459708 /nfs/dbraw/zinc/45/97/08/570459708.db2.gz OMMNJICYXUKGHB-JOCHJYFZSA-N 0 0 376.456 4.076 40 0 GIABRN CCOC(=O)N[C@H](C(Cl)(Cl)Cl)P(=O)(OC(C)C)OC(C)C ZINC000005952859 570462931 /nfs/dbraw/zinc/46/29/31/570462931.db2.gz VRLPTANBHYYTBN-VIFPVBQESA-N 0 0 384.624 4.472 40 0 GIABRN Cc1ccccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000005969117 570463328 /nfs/dbraw/zinc/46/33/28/570463328.db2.gz HETACKKJEOTUNG-UHFFFAOYSA-N 0 0 388.423 4.043 40 0 GIABRN CCOc1ccccc1-n1c(=O)c2ccccc2nc1SCc1ccncc1 ZINC000035311952 570467173 /nfs/dbraw/zinc/46/71/73/570467173.db2.gz FVTQXPRYLRDDMN-UHFFFAOYSA-N 0 0 389.480 4.472 40 0 GIABRN Cc1cc(C)c([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1C ZINC000223462541 570467580 /nfs/dbraw/zinc/46/75/80/570467580.db2.gz WLQOFVOSDQMMRW-CQSZACIVSA-N 0 0 394.924 4.128 40 0 GIABRN Cc1ccccc1NC(=O)N1[C@@H]2CCC[C@H]1CC(NC(=O)c1cccc(F)c1)C2 ZINC000035312800 570467866 /nfs/dbraw/zinc/46/78/66/570467866.db2.gz RVTNJXYXCKIDJV-IHWFROFDSA-N 0 0 395.478 4.482 40 0 GIABRN CCSc1nnc(NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)s1 ZINC000223518081 570469567 /nfs/dbraw/zinc/46/95/67/570469567.db2.gz GIBGHPQYXQBLTK-HNNXBMFYSA-N 0 0 377.535 4.325 40 0 GIABRN O=S(=O)(NCCOc1cccc2ccccc21)c1ccc2ccccc2c1 ZINC000223530711 570469686 /nfs/dbraw/zinc/46/96/86/570469686.db2.gz KHZOWESOZAUFCT-UHFFFAOYSA-N 0 0 377.465 4.350 40 0 GIABRN CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc(OC)c(F)c2)c2ccccc2O1 ZINC000223548778 570470804 /nfs/dbraw/zinc/47/08/04/570470804.db2.gz MBWPWKRWYGLTAE-QGZVFWFLSA-N 0 0 393.480 4.195 40 0 GIABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NCC(C)C)c1ccccc1 ZINC000223549034 570470831 /nfs/dbraw/zinc/47/08/31/570470831.db2.gz CJSTUTZZDAFROH-HSZRJFAPSA-N 0 0 396.531 4.337 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 ZINC000223582704 570472695 /nfs/dbraw/zinc/47/26/95/570472695.db2.gz RYXQXOCDXBKVLJ-IBGZPJMESA-N 0 0 396.531 4.051 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2cccc(OCCc3ccccc3)c2)cc1C ZINC000223640267 570476190 /nfs/dbraw/zinc/47/61/90/570476190.db2.gz MVPYWHLIZDTCAM-UHFFFAOYSA-N 0 0 397.496 4.426 40 0 GIABRN CCc1cc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)ccc1OC ZINC000223687568 570478823 /nfs/dbraw/zinc/47/88/23/570478823.db2.gz RLOWVCMXFCOOKE-UHFFFAOYSA-N 0 0 375.490 4.380 40 0 GIABRN Cc1cc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)no1 ZINC000000779374 570479350 /nfs/dbraw/zinc/47/93/50/570479350.db2.gz SSHFTVHNHUYWCV-UHFFFAOYSA-N 0 0 397.485 4.023 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 ZINC000223710519 570480699 /nfs/dbraw/zinc/48/06/99/570480699.db2.gz LOXUZRUHWRFMNC-CQSZACIVSA-N 0 0 393.314 4.089 40 0 GIABRN COc1ccc(C(=O)Nc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1Cl ZINC000006452466 570480744 /nfs/dbraw/zinc/48/07/44/570480744.db2.gz WFBQQAZDBPAOGN-UHFFFAOYSA-N 0 0 399.863 4.076 40 0 GIABRN CCOC(=O)C(Cc1cccc2ccccc21)(C[C@@H]1CCCO1)C(=O)OCC ZINC000006463314 570480750 /nfs/dbraw/zinc/48/07/50/570480750.db2.gz XGSMOSALSJBVLR-IBGZPJMESA-N 0 0 384.472 4.064 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1C ZINC000223743836 570482536 /nfs/dbraw/zinc/48/25/36/570482536.db2.gz CENQPDTURAZIIB-FQEVSTJZSA-N 0 0 392.543 4.322 40 0 GIABRN COc1ccc(F)cc1S(=O)(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000223753258 570483095 /nfs/dbraw/zinc/48/30/95/570483095.db2.gz XYEVGPCRJDINOY-UHFFFAOYSA-N 0 0 387.432 4.105 40 0 GIABRN COc1ccc(CCNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1OC ZINC000223763919 570483443 /nfs/dbraw/zinc/48/34/43/570483443.db2.gz MBWYZGKCYRLOJT-KRWDZBQOSA-N 0 0 385.504 4.262 40 0 GIABRN CCCC(=O)NC(=S)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000006591734 570484549 /nfs/dbraw/zinc/48/45/49/570484549.db2.gz UNCCFFPBGYFOLW-UHFFFAOYSA-N 0 0 384.324 4.186 40 0 GIABRN Cc1ccccc1CN(C(=O)Cc1ccccc1F)[C@H](C)C(=O)NC1CCCC1 ZINC000223791605 570484742 /nfs/dbraw/zinc/48/47/42/570484742.db2.gz AQZMXSNNUBRCMG-GOSISDBHSA-N 0 0 396.506 4.153 40 0 GIABRN Cc1ccc(OCC(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1C ZINC000006613897 570484863 /nfs/dbraw/zinc/48/48/63/570484863.db2.gz SEVMEVLXSFPWOL-UHFFFAOYSA-N 0 0 397.544 4.186 40 0 GIABRN COC(=O)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3Cc4ccccc4[C@@H]32)cc1 ZINC000006606383 570484911 /nfs/dbraw/zinc/48/49/11/570484911.db2.gz DBNZSTWAWLVZQS-ULQDDVLXSA-N 0 0 395.505 4.169 40 0 GIABRN COc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)N2CCC(C)CC2)cc1 ZINC000000825056 570485066 /nfs/dbraw/zinc/48/50/66/570485066.db2.gz PFOTWZGYMLRTGL-CJLVFECKSA-N 0 0 392.499 4.033 40 0 GIABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000223794401 570485179 /nfs/dbraw/zinc/48/51/79/570485179.db2.gz MXAYNJZJUBCLSP-QGZVFWFLSA-N 0 0 383.473 4.318 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223826091 570485765 /nfs/dbraw/zinc/48/57/65/570485765.db2.gz WHLWZTGDHDPTKO-GOSISDBHSA-N 0 0 398.522 4.435 40 0 GIABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)cc1 ZINC000223838915 570486631 /nfs/dbraw/zinc/48/66/31/570486631.db2.gz PNOMUCFMTPCWBK-WOJBJXKFSA-N 0 0 378.501 4.294 40 0 GIABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000223869655 570487871 /nfs/dbraw/zinc/48/78/71/570487871.db2.gz CHRKPHSFKMXLCU-SFHVURJKSA-N 0 0 396.506 4.234 40 0 GIABRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)o1 ZINC000223882392 570488420 /nfs/dbraw/zinc/48/84/20/570488420.db2.gz CDWNWOLZYGXWRM-VQTJNVASSA-N 0 0 378.501 4.226 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223901875 570489664 /nfs/dbraw/zinc/48/96/64/570489664.db2.gz BQZSGEOBXPRVRC-SFHVURJKSA-N 0 0 396.506 4.153 40 0 GIABRN CC(C)C(NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)C(C)C ZINC000223965641 570492265 /nfs/dbraw/zinc/49/22/65/570492265.db2.gz KVWFCPLJGFXRTG-UHFFFAOYSA-N 0 0 392.496 4.037 40 0 GIABRN COc1ccc2oc(=O)c(-c3nnc(-c4ccc(Br)cc4)o3)cc2c1 ZINC000000846029 570493354 /nfs/dbraw/zinc/49/33/54/570493354.db2.gz PLGHRIUVEBKPJO-UHFFFAOYSA-N 0 0 399.200 4.281 40 0 GIABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)s1 ZINC000224000091 570493739 /nfs/dbraw/zinc/49/37/39/570493739.db2.gz FTVPKQWRWAAANR-OALUTQOASA-N 0 0 395.509 4.357 40 0 GIABRN Cc1cc(Cl)cnc1NC(=S)NCC1(c2ccccc2)CCOCC1 ZINC000224011670 570494458 /nfs/dbraw/zinc/49/44/58/570494458.db2.gz HJUMNTOTCMOGIK-UHFFFAOYSA-N 0 0 375.925 4.078 40 0 GIABRN COc1ccccc1-c1nnc(-c2cc3cc(Br)ccc3oc2=O)o1 ZINC000000856257 570495542 /nfs/dbraw/zinc/49/55/42/570495542.db2.gz OZYRKCOWJRELTH-UHFFFAOYSA-N 0 0 399.200 4.281 40 0 GIABRN Cc1ccc(C(=O)NC2CCCC2)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000224048223 570496361 /nfs/dbraw/zinc/49/63/61/570496361.db2.gz AZUWQGCYIQVOKA-UHFFFAOYSA-N 0 0 392.908 4.122 40 0 GIABRN Cc1ccc(C(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000224048471 570496478 /nfs/dbraw/zinc/49/64/78/570496478.db2.gz HEMOSHITAKCCIW-UHFFFAOYSA-N 0 0 392.908 4.075 40 0 GIABRN CCCC[C@@H](CC)CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000224074108 570497294 /nfs/dbraw/zinc/49/72/94/570497294.db2.gz OUQIZSQXNLXWQY-QGZVFWFLSA-N 0 0 388.533 4.434 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 ZINC000224121632 570499802 /nfs/dbraw/zinc/49/98/02/570499802.db2.gz YPDSWWYPFRXCIK-QFIPXVFZSA-N 0 0 396.531 4.098 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224142880 570500828 /nfs/dbraw/zinc/50/08/28/570500828.db2.gz AFGSXFIREMIZMX-HXUWFJFHSA-N 0 0 380.532 4.035 40 0 GIABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000224158835 570501620 /nfs/dbraw/zinc/50/16/20/570501620.db2.gz LJVYWWVRZICDTH-NRFANRHFSA-N 0 0 385.504 4.345 40 0 GIABRN CCCC(=O)Nc1sc(C(=O)Nc2ccc(Cl)cc2)c(C)c1C(=O)OC ZINC000000871414 570502056 /nfs/dbraw/zinc/50/20/56/570502056.db2.gz LZPDEHCGUKSSHB-UHFFFAOYSA-N 0 0 394.880 4.487 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(CC)cc1 ZINC000224173451 570502367 /nfs/dbraw/zinc/50/23/67/570502367.db2.gz DDBVCCKJZOZZFY-QHCPKHFHSA-N 0 0 394.559 4.434 40 0 GIABRN CCC(=O)Nc1sc(C(=O)Nc2ccccc2Cl)c(C)c1C(=O)OC ZINC000000871973 570502422 /nfs/dbraw/zinc/50/24/22/570502422.db2.gz QGJVFGJOSARPJK-UHFFFAOYSA-N 0 0 380.853 4.097 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 ZINC000224181962 570502701 /nfs/dbraw/zinc/50/27/01/570502701.db2.gz AXVPPPBSONNHDK-OAQYLSRUSA-N 0 0 398.572 4.339 40 0 GIABRN COc1ccc(OCc2nnc(SCc3ccc(Cl)cc3)n2C)cc1 ZINC000000873147 570502932 /nfs/dbraw/zinc/50/29/32/570502932.db2.gz PJUQBTGWBYUWNU-UHFFFAOYSA-N 0 0 375.881 4.348 40 0 GIABRN Cc1ccc2c(c1)cc(C)c1nnc(SCC(=O)Nc3ccccc3F)n12 ZINC000000877105 570503638 /nfs/dbraw/zinc/50/36/38/570503638.db2.gz FQVCEDZTTHWIPI-UHFFFAOYSA-N 0 0 380.448 4.369 40 0 GIABRN CCCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000224210036 570503679 /nfs/dbraw/zinc/50/36/79/570503679.db2.gz HIUFBKOYCVQWJR-UHFFFAOYSA-N 0 0 388.533 4.049 40 0 GIABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NCC(C)C)cc12 ZINC000000878438 570505164 /nfs/dbraw/zinc/50/51/64/570505164.db2.gz KZSDHWNJPSDHJJ-UHFFFAOYSA-N 0 0 397.544 4.271 40 0 GIABRN CCCCCNC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224271931 570506603 /nfs/dbraw/zinc/50/66/03/570506603.db2.gz ODZNGEIOPIAXQU-UHFFFAOYSA-N 0 0 394.924 4.085 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224300424 570508111 /nfs/dbraw/zinc/50/81/11/570508111.db2.gz VTLQPCTUHWBSOI-LJQANCHMSA-N 0 0 398.522 4.256 40 0 GIABRN COC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccc3ccccc3c2)c1 ZINC000224319830 570508992 /nfs/dbraw/zinc/50/89/92/570508992.db2.gz TVIBQHYWHRZOSU-INIZCTEOSA-N 0 0 379.456 4.192 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000224352300 570510200 /nfs/dbraw/zinc/51/02/00/570510200.db2.gz ATEPFJWOZDNOJD-QFIPXVFZSA-N 0 0 392.499 4.488 40 0 GIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000224371109 570510898 /nfs/dbraw/zinc/51/08/98/570510898.db2.gz GBDDLTLIXYKMAG-CXAGYDPISA-N 0 0 377.868 4.392 40 0 GIABRN Cc1ccc(NC(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@H]3C2(C)C)c(C)c1 ZINC000000886769 570510900 /nfs/dbraw/zinc/51/09/00/570510900.db2.gz XXQKEIOQSLYDIE-SZNDQCEHSA-N 0 0 382.533 4.394 40 0 GIABRN COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 ZINC000224374562 570511325 /nfs/dbraw/zinc/51/13/25/570511325.db2.gz UWWXWOJEGRADLP-ZWKOTPCHSA-N 0 0 385.504 4.478 40 0 GIABRN CCOc1ccc(CCC(=O)NCCOc2ccccc2Cl)cc1OCC ZINC000224393874 570512058 /nfs/dbraw/zinc/51/20/58/570512058.db2.gz WNKUGXXWGLDIMI-UHFFFAOYSA-N 0 0 391.895 4.265 40 0 GIABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2C)cc1 ZINC000000894337 570513285 /nfs/dbraw/zinc/51/32/85/570513285.db2.gz LJOIMSIQGQHZMN-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN C[C@H]1C[C@@H](C(F)F)n2nc(C(=O)Nc3ccccc3Cc3ccccc3)nc2N1 ZINC000000900698 570514362 /nfs/dbraw/zinc/51/43/62/570514362.db2.gz OZRWDVDELKMXEB-GUYCJALGSA-N 0 0 397.429 4.132 40 0 GIABRN O=S(=O)(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc2ccccc2c1 ZINC000007759130 570514919 /nfs/dbraw/zinc/51/49/19/570514919.db2.gz LKAMCKIYAGLQAF-UHFFFAOYSA-N 0 0 399.859 4.022 40 0 GIABRN CCOc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1C ZINC000224481603 570515323 /nfs/dbraw/zinc/51/53/23/570515323.db2.gz LNVAEGRQINZKQR-UHFFFAOYSA-N 0 0 385.851 4.369 40 0 GIABRN CCc1ccc(OCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000224481479 570515333 /nfs/dbraw/zinc/51/53/33/570515333.db2.gz GPUFOYURPBIYNU-UHFFFAOYSA-N 0 0 397.496 4.399 40 0 GIABRN Oc1ccc(-c2nc3ccc(Br)cn3c2NC[C@H]2CCCO2)cc1 ZINC000000904234 570515446 /nfs/dbraw/zinc/51/54/46/570515446.db2.gz YXPPIJXURHHSFZ-OAHLLOKOSA-N 0 0 388.265 4.060 40 0 GIABRN C[C@H]1CCCCN1C(=O)CSc1nnc(-c2cccnc2)n1C1CCCCC1 ZINC000000905220 570515827 /nfs/dbraw/zinc/51/58/27/570515827.db2.gz GGBMYZPLSFXZAL-INIZCTEOSA-N 0 0 399.564 4.338 40 0 GIABRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000224541157 570517228 /nfs/dbraw/zinc/51/72/28/570517228.db2.gz QTSILDCVMTUCDY-UHFFFAOYSA-N 0 0 390.848 4.295 40 0 GIABRN O=C(CCc1nc(-c2ccccc2)no1)N1CCC(Cc2ccccc2)CC1 ZINC000008072022 570522082 /nfs/dbraw/zinc/52/20/82/570522082.db2.gz XBEZAWZHYDTSSG-UHFFFAOYSA-N 0 0 375.472 4.151 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2ccc(OCc3ccccc3)cc2)cc1C ZINC000224648932 570522433 /nfs/dbraw/zinc/52/24/33/570522433.db2.gz WAPFXVUWABJWLH-UHFFFAOYSA-N 0 0 397.496 4.408 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 ZINC000224665024 570523472 /nfs/dbraw/zinc/52/34/72/570523472.db2.gz HDKAFWXKAPVLPR-JOCHJYFZSA-N 0 0 398.522 4.256 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 ZINC000224669343 570523574 /nfs/dbraw/zinc/52/35/74/570523574.db2.gz VTRLNZSUKHMWJO-LJQANCHMSA-N 0 0 398.572 4.421 40 0 GIABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1cccc2c1CCCC2 ZINC000224843611 570533762 /nfs/dbraw/zinc/53/37/62/570533762.db2.gz WZJHJPBUVFLBBG-INIZCTEOSA-N 0 0 380.488 4.111 40 0 GIABRN CCOc1ccc(C(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1Cl ZINC000224855069 570534099 /nfs/dbraw/zinc/53/40/99/570534099.db2.gz JPIULYSFMHRHBN-UHFFFAOYSA-N 0 0 377.868 4.465 40 0 GIABRN COc1ccc(OC[C@@H](C)NC(=O)CSCc2ccc(Cl)cc2F)cc1 ZINC000224865251 570535120 /nfs/dbraw/zinc/53/51/20/570535120.db2.gz YPICAZVMJKVUEE-CYBMUJFWSA-N 0 0 397.899 4.305 40 0 GIABRN CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000224874261 570535593 /nfs/dbraw/zinc/53/55/93/570535593.db2.gz QFXADFIDGHXMCC-UHFFFAOYSA-N 0 0 398.322 4.290 40 0 GIABRN Cc1cc2cc3c(cc2nc1SCC(=O)N1[C@@H](C)CCC[C@@H]1C)OCCO3 ZINC000000928315 570538766 /nfs/dbraw/zinc/53/87/66/570538766.db2.gz GUXXHKDTEQIVJF-GJZGRUSLSA-N 0 0 386.517 4.196 40 0 GIABRN C[C@@H]1CCc2c(sc3ncnc(SCC(=O)Nc4nccs4)c23)C1 ZINC000000928918 570539252 /nfs/dbraw/zinc/53/92/52/570539252.db2.gz YJPIKSUHGYQUIN-SECBINFHSA-N 0 0 376.532 4.003 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2cccc(C(F)(F)F)c2)cc1Cl ZINC000224954027 570539486 /nfs/dbraw/zinc/53/94/86/570539486.db2.gz FMKONNFOPDNNEK-UHFFFAOYSA-N 0 0 379.787 4.193 40 0 GIABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C)cc1Cl ZINC000224964382 570540065 /nfs/dbraw/zinc/54/00/65/570540065.db2.gz PUIGGAAOWOGWHB-RBUKOAKNSA-N 0 0 398.919 4.259 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1 ZINC000224975097 570540902 /nfs/dbraw/zinc/54/09/02/570540902.db2.gz DNGSUGITSKBGQL-MOPGFXCFSA-N 0 0 398.572 4.252 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 ZINC000224996088 570542159 /nfs/dbraw/zinc/54/21/59/570542159.db2.gz YGLDAONDXAUHLS-VQTJNVASSA-N 0 0 396.531 4.178 40 0 GIABRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)[nH]1 ZINC000225059355 570545758 /nfs/dbraw/zinc/54/57/58/570545758.db2.gz CLEZBQYZHCNUAG-NHCUHLMSSA-N 0 0 391.544 4.193 40 0 GIABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C ZINC000225067104 570546563 /nfs/dbraw/zinc/54/65/63/570546563.db2.gz KUZPCCUTARPWMN-INIZCTEOSA-N 0 0 390.892 4.358 40 0 GIABRN CC(C)Oc1cccc(CCCNC(=O)COc2cccc3c2CCCC3)c1 ZINC000225078854 570547408 /nfs/dbraw/zinc/54/74/08/570547408.db2.gz GKZSDQIKHQKBMZ-UHFFFAOYSA-N 0 0 381.516 4.480 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000225091120 570548075 /nfs/dbraw/zinc/54/80/75/570548075.db2.gz RYOONHMZCBSCKQ-JOCHJYFZSA-N 0 0 380.532 4.261 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 ZINC000225094395 570548516 /nfs/dbraw/zinc/54/85/16/570548516.db2.gz UOAWSMUEMVBEPS-MOPGFXCFSA-N 0 0 398.572 4.419 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cccc(C)c1C ZINC000225101214 570548885 /nfs/dbraw/zinc/54/88/85/570548885.db2.gz HXNIGTMCXTUQEK-NRFANRHFSA-N 0 0 396.531 4.016 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225163314 570552775 /nfs/dbraw/zinc/55/27/75/570552775.db2.gz MZISMWPGKSZYPS-QHCPKHFHSA-N 0 0 394.559 4.488 40 0 GIABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2cccc(N3CCCC3=O)c2)c1 ZINC000225171115 570553627 /nfs/dbraw/zinc/55/36/27/570553627.db2.gz WIGKCWSEIAHSKM-GOSISDBHSA-N 0 0 394.515 4.329 40 0 GIABRN CCc1nc2sc([C@@H](c3ccccc3F)[NH+]3C[C@@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000036104817 570554445 /nfs/dbraw/zinc/55/44/45/570554445.db2.gz IWODIQLULLNPOR-GDZNZVCISA-N 0 0 388.512 4.265 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1 ZINC000225192101 570554775 /nfs/dbraw/zinc/55/47/75/570554775.db2.gz HCZJRBNDIOJWIO-JOCHJYFZSA-N 0 0 396.531 4.016 40 0 GIABRN CC[C@H](NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccc(OC)c(C)c1 ZINC000225209025 570556475 /nfs/dbraw/zinc/55/64/75/570556475.db2.gz VXNLVHHMQCPKPK-KRWDZBQOSA-N 0 0 377.506 4.059 40 0 GIABRN COC(=O)c1cc2cc(NC(=S)NCc3ccc(OC)cc3)ccc2s1 ZINC000225212643 570556503 /nfs/dbraw/zinc/55/65/03/570556503.db2.gz LVNKCBMYXSSZHK-UHFFFAOYSA-N 0 0 386.498 4.183 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)NCCSCc2ccccc2)c(C)c1 ZINC000225290924 570562006 /nfs/dbraw/zinc/56/20/06/570562006.db2.gz HUFVMBRJIYHREY-UHFFFAOYSA-N 0 0 388.558 4.392 40 0 GIABRN CCNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000009936499 570563148 /nfs/dbraw/zinc/56/31/48/570563148.db2.gz GHIHWWFDLQKJAN-OAHLLOKOSA-N 0 0 395.894 4.277 40 0 GIABRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CC ZINC000225340932 570565858 /nfs/dbraw/zinc/56/58/58/570565858.db2.gz HGBAVUCDRYGIAE-JOCHJYFZSA-N 0 0 380.532 4.261 40 0 GIABRN CCOc1ccc(N[C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000036635885 570566576 /nfs/dbraw/zinc/56/65/76/570566576.db2.gz ULTACHDGPULHLC-HNNXBMFYSA-N 0 0 379.243 4.136 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000001326943 570566927 /nfs/dbraw/zinc/56/69/27/570566927.db2.gz KLLPLFWUQVHCJE-UHFFFAOYSA-N 0 0 389.908 4.093 40 0 GIABRN CCOc1ccc([C@H](OC(=O)c2ccco2)C(=O)NCc2ccc(C)cc2)cc1 ZINC000001328622 570567335 /nfs/dbraw/zinc/56/73/35/570567335.db2.gz KHJNJEBHRCPLRY-NRFANRHFSA-N 0 0 393.439 4.201 40 0 GIABRN CC(=O)c1ccc(NC(=O)CSc2nc(C3CC3)nc3ccccc32)cc1 ZINC000001332587 570569154 /nfs/dbraw/zinc/56/91/54/570569154.db2.gz CMWLXFPVIKKFJB-UHFFFAOYSA-N 0 0 377.469 4.441 40 0 GIABRN CCCc1nc2ccccc2c(SCC(=O)N2CCc3ccccc3C2)n1 ZINC000001342776 570571279 /nfs/dbraw/zinc/57/12/79/570571279.db2.gz FIIBZXMENRGGGM-UHFFFAOYSA-N 0 0 377.513 4.259 40 0 GIABRN CCOc1ccc(NC(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)cc1 ZINC000001354100 570573726 /nfs/dbraw/zinc/57/37/26/570573726.db2.gz VCPVDBHFZFYZOB-UHFFFAOYSA-N 0 0 377.444 4.248 40 0 GIABRN CCOc1cccc(CNC(=S)Nc2ccc(Br)cc2F)c1 ZINC000225439683 570574032 /nfs/dbraw/zinc/57/40/32/570574032.db2.gz JLKJETDCAXKMQG-UHFFFAOYSA-N 0 0 383.286 4.474 40 0 GIABRN Cc1ccc(SCCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225454837 570575904 /nfs/dbraw/zinc/57/59/04/570575904.db2.gz PVRKYQBQAXIPTB-IBGZPJMESA-N 0 0 398.572 4.419 40 0 GIABRN COc1cccc(-c2noc([C@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)n2)c1 ZINC000001360525 570576034 /nfs/dbraw/zinc/57/60/34/570576034.db2.gz GFPNUNCXLZAOLL-INIZCTEOSA-N 0 0 397.862 4.418 40 0 GIABRN CCCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1cccnc1 ZINC000001361248 570576085 /nfs/dbraw/zinc/57/60/85/570576085.db2.gz VWDAOOQZUOTORG-UHFFFAOYSA-N 0 0 395.532 4.352 40 0 GIABRN CCOc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(C)o4)no3)C2)cc1 ZINC000001364675 570578467 /nfs/dbraw/zinc/57/84/67/570578467.db2.gz PXDKXEKFRTZOLQ-INIZCTEOSA-N 0 0 381.432 4.057 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1C ZINC000225492115 570579736 /nfs/dbraw/zinc/57/97/36/570579736.db2.gz JWDWJISAOGMBCE-DENIHFKCSA-N 0 0 380.532 4.260 40 0 GIABRN Cc1cc(C)cc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225496263 570580246 /nfs/dbraw/zinc/58/02/46/570580246.db2.gz WQYLPXGJADOUKM-FQEVSTJZSA-N 0 0 380.532 4.096 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1C ZINC000038753674 570581956 /nfs/dbraw/zinc/58/19/56/570581956.db2.gz MYVXBOWRZASGLZ-QFIPXVFZSA-N 0 0 381.497 4.380 40 0 GIABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000038755507 570582192 /nfs/dbraw/zinc/58/21/92/570582192.db2.gz ROYAVSZYMLYVPA-HDFUYHJRSA-N 0 0 392.543 4.318 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225515733 570582636 /nfs/dbraw/zinc/58/26/36/570582636.db2.gz XWBLUAYGZGDTLB-FQEVSTJZSA-N 0 0 380.532 4.096 40 0 GIABRN O=C(c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)N1CCCCCC1 ZINC000038772998 570583469 /nfs/dbraw/zinc/58/34/69/570583469.db2.gz ISOGMQGJPCMVSB-UHFFFAOYSA-N 0 0 392.908 4.157 40 0 GIABRN O=C(NC1CCCC1)[C@H](c1ccco1)N(C(=O)c1ccco1)c1ccc(F)cc1 ZINC000001382769 570584677 /nfs/dbraw/zinc/58/46/77/570584677.db2.gz KIRNUXKDYXSZJD-FQEVSTJZSA-N 0 0 396.418 4.459 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225550803 570586897 /nfs/dbraw/zinc/58/68/97/570586897.db2.gz WEGZWNWSKMOIPZ-KRWDZBQOSA-N 0 0 386.923 4.133 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225550828 570586942 /nfs/dbraw/zinc/58/69/42/570586942.db2.gz WEGZWNWSKMOIPZ-QGZVFWFLSA-N 0 0 386.923 4.133 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=S)NCCCc2ccc(OC)cc2)c1 ZINC000225557213 570587956 /nfs/dbraw/zinc/58/79/56/570587956.db2.gz JHRWVYQZGUBIRH-UHFFFAOYSA-N 0 0 386.517 4.100 40 0 GIABRN COc1ccccc1[C@@H](C)NC(=O)COc1ccc(Br)c(C)c1 ZINC000225573739 570589692 /nfs/dbraw/zinc/58/96/92/570589692.db2.gz MLZNWEJHVFKLBZ-CYBMUJFWSA-N 0 0 378.266 4.022 40 0 GIABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2cccc(C)c2)cc1 ZINC000225582246 570590731 /nfs/dbraw/zinc/59/07/31/570590731.db2.gz OKQAXYQTXLJZBL-STZFKDTASA-N 0 0 390.508 4.452 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F ZINC000225585969 570591226 /nfs/dbraw/zinc/59/12/26/570591226.db2.gz FSOFJIKGWKQQIF-AVRDEDQJSA-N 0 0 398.522 4.399 40 0 GIABRN COC(=O)c1cc(NC(=S)NCCCSCc2ccco2)ccc1Cl ZINC000225594277 570592259 /nfs/dbraw/zinc/59/22/59/570592259.db2.gz GZRGQDFRDGPRHA-UHFFFAOYSA-N 0 0 398.937 4.330 40 0 GIABRN O=C1CCCN1c1cccc(NC(=S)NCCCSCc2ccco2)c1 ZINC000225595100 570592285 /nfs/dbraw/zinc/59/22/85/570592285.db2.gz MXYRTRVQHWCZQT-UHFFFAOYSA-N 0 0 389.546 4.016 40 0 GIABRN O=C(CCc1ccc(F)cc1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000039536347 570593614 /nfs/dbraw/zinc/59/36/14/570593614.db2.gz XTCDDXIJARAQNJ-UHFFFAOYSA-N 0 0 376.431 4.327 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=O)Cc2cccc(Br)c2)c1 ZINC000225617157 570594554 /nfs/dbraw/zinc/59/45/54/570594554.db2.gz VYNCRTXBRCYKCW-UHFFFAOYSA-N 0 0 376.250 4.115 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2OC)c(Cl)c1Cl ZINC000225617137 570594748 /nfs/dbraw/zinc/59/47/48/570594748.db2.gz MPGVFYLTRUTDSP-SNVBAGLBSA-N 0 0 390.288 4.050 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000225642714 570597431 /nfs/dbraw/zinc/59/74/31/570597431.db2.gz OIIRJBPXSHQZSF-DYESRHJHSA-N 0 0 384.495 4.090 40 0 GIABRN CCc1nn2c(nnc3c2ccn(C2CCCC2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395901 570600599 /nfs/dbraw/zinc/60/05/99/570600599.db2.gz HYQRQEAUMMWPOM-UHFFFAOYSA-N 0 0 393.878 4.437 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C ZINC000225667415 570600630 /nfs/dbraw/zinc/60/06/30/570600630.db2.gz OWAJRUPLBGOSFC-PGRDOPGGSA-N 0 0 398.522 4.399 40 0 GIABRN COc1cc(C)c(C(=O)NCc2nc(-c3cccc(C)c3)no2)cc1C(C)C ZINC000225669745 570601122 /nfs/dbraw/zinc/60/11/22/570601122.db2.gz MXNYZNCSZNFDHL-UHFFFAOYSA-N 0 0 379.460 4.415 40 0 GIABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc2c(c1)OCCO2 ZINC000225678436 570601840 /nfs/dbraw/zinc/60/18/40/570601840.db2.gz ALMAPZPGIFQAEF-INIZCTEOSA-N 0 0 384.501 4.355 40 0 GIABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)CC(C)(C)c1ccccc1 ZINC000225677217 570601960 /nfs/dbraw/zinc/60/19/60/570601960.db2.gz COBOKZKUIDTVQD-AWEZNQCLSA-N 0 0 381.925 4.383 40 0 GIABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000225696493 570605015 /nfs/dbraw/zinc/60/50/15/570605015.db2.gz SMOAXUYEZIDFDO-NRFANRHFSA-N 0 0 381.516 4.325 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CSCc1ccccc1 ZINC000225699936 570605552 /nfs/dbraw/zinc/60/55/52/570605552.db2.gz FJRPHHHHZJHYCO-OAQYLSRUSA-N 0 0 398.572 4.252 40 0 GIABRN Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000029768460 570606656 /nfs/dbraw/zinc/60/66/56/570606656.db2.gz HYFHJNDZILAAKK-SJORKVTESA-N 0 0 398.528 4.023 40 0 GIABRN Cc1sc2c(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)nc(C)n2c1C ZINC000012087562 570606738 /nfs/dbraw/zinc/60/67/38/570606738.db2.gz OYHQOGRYFAPHDN-UHFFFAOYSA-N 0 0 385.508 4.409 40 0 GIABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C ZINC000225705675 570606681 /nfs/dbraw/zinc/60/66/81/570606681.db2.gz YHQVWBICCNIMNG-UHFFFAOYSA-N 0 0 396.921 4.407 40 0 GIABRN CC[C@@H](NC(=S)Nc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000225722361 570608734 /nfs/dbraw/zinc/60/87/34/570608734.db2.gz XODMDWTUNBSZGP-OAHLLOKOSA-N 0 0 382.938 4.181 40 0 GIABRN CCCn1c2ccc(S(=O)(=O)Nc3ccc4ccccc4c3)cc2sc1=O ZINC000225721999 570608842 /nfs/dbraw/zinc/60/88/42/570608842.db2.gz WAPLRJNSIOWSGZ-UHFFFAOYSA-N 0 0 398.509 4.427 40 0 GIABRN CCCn1c2ccc(S(=O)(=O)Nc3c(C)cccc3CC)cc2sc1=O ZINC000225725834 570609365 /nfs/dbraw/zinc/60/93/65/570609365.db2.gz UMKIOIDCZSUNFE-UHFFFAOYSA-N 0 0 390.530 4.145 40 0 GIABRN Cc1cc2nc([C@@H]3CCCN3C(=O)c3cc(-c4ccco4)n[nH]3)[nH]c2cc1C ZINC000012116113 570610865 /nfs/dbraw/zinc/61/08/65/570610865.db2.gz JCSSEGUAGHXSKG-SFHVURJKSA-N 0 0 375.432 4.140 40 0 GIABRN CCc1cccc(C)c1NC(=O)Cn1ccc(=O)c2ccc(Br)cc21 ZINC000225738822 570611677 /nfs/dbraw/zinc/61/16/77/570611677.db2.gz FXPSEEDSOFEKFA-UHFFFAOYSA-N 0 0 399.288 4.274 40 0 GIABRN O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H](c2ccnc(-c3ccncc3)n2)C1 ZINC000012119340 570612702 /nfs/dbraw/zinc/61/27/02/570612702.db2.gz ZNZCQFCXSGQTCF-GOSISDBHSA-N 0 0 392.890 4.141 40 0 GIABRN Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3ccc(Br)cc3)c2c1 ZINC000225754982 570613771 /nfs/dbraw/zinc/61/37/71/570613771.db2.gz ZHXCKSNKDCFFDD-UHFFFAOYSA-N 0 0 385.261 4.020 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)c2snnc2-c2ccccc2)cc1 ZINC000225760854 570614167 /nfs/dbraw/zinc/61/41/67/570614167.db2.gz IJZYLHZWHKWZRZ-UHFFFAOYSA-N 0 0 381.457 4.414 40 0 GIABRN CCOc1ccccc1NC(=O)COc1ccc(CC)cc1Br ZINC000040942557 570614628 /nfs/dbraw/zinc/61/46/28/570614628.db2.gz WAFSXDAYKVRKNL-UHFFFAOYSA-N 0 0 378.266 4.428 40 0 GIABRN COc1cccc(-c2nnsc2C(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000225766788 570614959 /nfs/dbraw/zinc/61/49/59/570614959.db2.gz HRZSECCFXLLGPV-UHFFFAOYSA-N 0 0 375.837 4.128 40 0 GIABRN S=C(NCCOc1ccccc1Cl)Nc1cccc(Br)c1 ZINC000225779433 570616263 /nfs/dbraw/zinc/61/62/63/570616263.db2.gz AOFZNMUXPZKDBE-UHFFFAOYSA-N 0 0 385.714 4.468 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@](C)(CC(C)C)OC)ccc1OCC(C)C ZINC000225793144 570618103 /nfs/dbraw/zinc/61/81/03/570618103.db2.gz SDTBCJHIKOBCCP-NRFANRHFSA-N 0 0 379.497 4.288 40 0 GIABRN Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1ccccc1Br ZINC000225793383 570618252 /nfs/dbraw/zinc/61/82/52/570618252.db2.gz GKYUSSCEJYTZRH-UHFFFAOYSA-N 0 0 382.261 4.391 40 0 GIABRN COc1ccc([C@@H](C)NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000225807316 570619466 /nfs/dbraw/zinc/61/94/66/570619466.db2.gz YVLLHQFOQLPNQI-CYBMUJFWSA-N 0 0 385.851 4.209 40 0 GIABRN COc1ccc(NC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000225804199 570619509 /nfs/dbraw/zinc/61/95/09/570619509.db2.gz MGIOVNXQGOIPLW-UHFFFAOYSA-N 0 0 391.349 4.335 40 0 GIABRN O=C(c1cc2c(s1)CCC2)N1CCC[C@H]1[C@H](O)c1nc2ccccc2s1 ZINC000012183089 570619896 /nfs/dbraw/zinc/61/98/96/570619896.db2.gz PRIXJTXFJVBFFV-KSSFIOAISA-N 0 0 384.526 4.185 40 0 GIABRN Cc1ccc(-c2noc(CNC(=S)Nc3ccc(OC(C)C)cc3)n2)cc1 ZINC000225817838 570621095 /nfs/dbraw/zinc/62/10/95/570621095.db2.gz YGLUKFQBFDVHCS-UHFFFAOYSA-N 0 0 382.489 4.319 40 0 GIABRN O=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1ccc(F)cc1 ZINC000225818750 570621494 /nfs/dbraw/zinc/62/14/94/570621494.db2.gz WICZIZRNBMVAOL-UHFFFAOYSA-N 0 0 390.212 4.210 40 0 GIABRN CCOc1cccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)c1 ZINC000225819436 570621537 /nfs/dbraw/zinc/62/15/37/570621537.db2.gz OXCSIJZEQUHWSL-UHFFFAOYSA-N 0 0 388.880 4.275 40 0 GIABRN CCO[C@]1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OC)c2)CCC[C@@H](C)C1 ZINC000225831558 570623413 /nfs/dbraw/zinc/62/34/13/570623413.db2.gz GQNLEWOLLQWNRV-OPAMFIHVSA-N 0 0 391.508 4.432 40 0 GIABRN COc1ccc(C2(NC(=O)c3cccc(N4CCCC4=O)c3)CCCCC2)cc1 ZINC000012197838 570623461 /nfs/dbraw/zinc/62/34/61/570623461.db2.gz JVOMGECODWLNPJ-UHFFFAOYSA-N 0 0 392.499 4.411 40 0 GIABRN CC(C)OCCCNC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC000225833158 570623441 /nfs/dbraw/zinc/62/34/41/570623441.db2.gz WIZUWBMBCSOEKG-UHFFFAOYSA-N 0 0 393.487 4.268 40 0 GIABRN CCO[C@]1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OC)c2)CCC[C@H](C)C1 ZINC000225831587 570623557 /nfs/dbraw/zinc/62/35/57/570623557.db2.gz GQNLEWOLLQWNRV-KSFYIVLOSA-N 0 0 391.508 4.432 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=S)NC2(c3cccnc3)CCCC2)c1 ZINC000225864293 570628286 /nfs/dbraw/zinc/62/82/86/570628286.db2.gz HPPYETPWCRQLCB-UHFFFAOYSA-N 0 0 383.517 4.323 40 0 GIABRN COc1ccc(C(=O)N2CCc3ccc(NC(=O)c4ccoc4C)cc32)cc1 ZINC000225868515 570629089 /nfs/dbraw/zinc/62/90/89/570629089.db2.gz DZUKYHWHDOYZFC-UHFFFAOYSA-N 0 0 376.412 4.052 40 0 GIABRN O=C(CSCc1ccccc1Cl)NCC1(c2ccccc2)CCOCC1 ZINC000225869057 570629172 /nfs/dbraw/zinc/62/91/72/570629172.db2.gz GVOVZIYUFACGBG-UHFFFAOYSA-N 0 0 389.948 4.438 40 0 GIABRN COc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c2cccnc12 ZINC000225873400 570629520 /nfs/dbraw/zinc/62/95/20/570629520.db2.gz ZLPOXFVYKPKHHY-UHFFFAOYSA-N 0 0 376.456 4.239 40 0 GIABRN C[C@H]1[C@H](NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)CCC[C@@H]1C ZINC000004563493 570630238 /nfs/dbraw/zinc/63/02/38/570630238.db2.gz YLZJGRAEIOZXIE-WOSRLPQWSA-N 0 0 392.956 4.169 40 0 GIABRN CCCc1ccc(C(=O)N2CCC[C@H](c3nnsc3-c3cc(C)no3)C2)o1 ZINC000012242158 570630472 /nfs/dbraw/zinc/63/04/72/570630472.db2.gz KQRUPVITVGDPSO-ZDUSSCGKSA-N 0 0 386.477 4.067 40 0 GIABRN Cc1nn([C@@H](C)CC(=O)N2CCc3onc(-c4ccccc4F)c3C2)c(C)c1C ZINC000012290783 570632903 /nfs/dbraw/zinc/63/29/03/570632903.db2.gz XAGDRGRLGARKJA-ZDUSSCGKSA-N 0 0 396.466 4.138 40 0 GIABRN CC1(C(=O)Nc2ccc(OC(F)(F)F)cc2)COC(c2cccs2)OC1 ZINC000225921618 570633463 /nfs/dbraw/zinc/63/34/63/570633463.db2.gz GGRPDDLJEODAEQ-UHFFFAOYSA-N 0 0 387.379 4.337 40 0 GIABRN C[C@@H](NC(=S)Nc1nc(Cl)cc(N2CCC(C)CC2)n1)c1ccccc1 ZINC000225963916 570636778 /nfs/dbraw/zinc/63/67/78/570636778.db2.gz IKNCMRCPJZGUMX-CQSZACIVSA-N 0 0 389.956 4.414 40 0 GIABRN C[C@H](NC(=S)Nc1nc(Cl)cc(N2CCC(C)CC2)n1)c1ccccc1 ZINC000225963930 570636958 /nfs/dbraw/zinc/63/69/58/570636958.db2.gz IKNCMRCPJZGUMX-AWEZNQCLSA-N 0 0 389.956 4.414 40 0 GIABRN CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000225967634 570637346 /nfs/dbraw/zinc/63/73/46/570637346.db2.gz RNSUYSAEVWVSBN-UHFFFAOYSA-N 0 0 387.288 4.032 40 0 GIABRN O=C(CSc1nc2cccnc2n1Cc1ccccc1)Nc1ccccc1F ZINC000004852645 570637839 /nfs/dbraw/zinc/63/78/39/570637839.db2.gz DXLBVLOYDWPRLP-UHFFFAOYSA-N 0 0 392.459 4.350 40 0 GIABRN Cc1ccc(NC(=S)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1C ZINC000004857717 570638704 /nfs/dbraw/zinc/63/87/04/570638704.db2.gz PZZHUGZXBBQWAQ-UHFFFAOYSA-N 0 0 385.508 4.034 40 0 GIABRN Cc1c(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000044901346 570640435 /nfs/dbraw/zinc/64/04/35/570640435.db2.gz OWJYIIBNMLHVCX-QGZVFWFLSA-N 0 0 393.487 4.014 40 0 GIABRN CC1=CC(C)(C)N(C(=O)CN2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000226074503 570640710 /nfs/dbraw/zinc/64/07/10/570640710.db2.gz KFMVGBOZQATDIT-UHFFFAOYSA-N 0 0 375.516 4.037 40 0 GIABRN CCCCCC(=O)N1CCC[C@@H](c2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000004890323 570644027 /nfs/dbraw/zinc/64/40/27/570644027.db2.gz FSSDWFJNUGVLGZ-MRXNPFEDSA-N 0 0 387.480 4.040 40 0 GIABRN CC(=O)NC1(c2ccccc2F)CCN(Cc2cnn(C3CCCCC3)c2)CC1 ZINC000012330727 570644608 /nfs/dbraw/zinc/64/46/08/570644608.db2.gz OIPZROWTZWCQII-UHFFFAOYSA-N 0 0 398.526 4.155 40 0 GIABRN C[C@@H]1Cc2ccccc2N1c1ncnc2c1nnn2Cc1ccccc1Cl ZINC000004922125 570648888 /nfs/dbraw/zinc/64/88/88/570648888.db2.gz YVRCNWKFMCSXLI-CYBMUJFWSA-N 0 0 376.851 4.006 40 0 GIABRN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000058983889 570649358 /nfs/dbraw/zinc/64/93/58/570649358.db2.gz VKWAZNJIGQGCCC-ZDUSSCGKSA-N 0 0 392.377 4.096 40 0 GIABRN Cc1ccc(-c2nnc(CNC(=O)Nc3ccccc3C(F)(F)F)[nH]2)cc1 ZINC000005001866 570652274 /nfs/dbraw/zinc/65/22/74/570652274.db2.gz VYJNZXWHXFJKQA-UHFFFAOYSA-N 0 0 375.354 4.121 40 0 GIABRN COc1ccc(OC)c(/C=C2/SC(=O)N(CNc3ccc(C)cc3C)C2=O)c1 ZINC000059457348 570654355 /nfs/dbraw/zinc/65/43/55/570654355.db2.gz ZTRSFZWYKCFRSY-YBFXNURJSA-N 0 0 398.484 4.427 40 0 GIABRN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(C)ccc1C ZINC000004976909 570655521 /nfs/dbraw/zinc/65/55/21/570655521.db2.gz GFXQDNUIZRNSIM-UHFFFAOYSA-N 0 0 380.517 4.236 40 0 GIABRN C[C@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)[C@@H](C)C1 ZINC000005043624 570658099 /nfs/dbraw/zinc/65/80/99/570658099.db2.gz XYFJGNDRIGZIKX-JFILPPLUSA-N 0 0 396.413 4.397 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@@H]3c2ccc(F)cc2)cc1 ZINC000006679289 570673611 /nfs/dbraw/zinc/67/36/11/570673611.db2.gz ZJUBFXCTOUIGQR-BFUOFWGJSA-N 0 0 397.475 4.492 40 0 GIABRN COc1cccc([C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)c1 ZINC000006679171 570673642 /nfs/dbraw/zinc/67/36/42/570673642.db2.gz PYDDQNXLVTYWPI-ORAYPTAESA-N 0 0 397.475 4.492 40 0 GIABRN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cs2)c(C)c1 ZINC000006680906 570674918 /nfs/dbraw/zinc/67/49/18/570674918.db2.gz RQFVPNYGGKNZIM-CQSZACIVSA-N 0 0 392.546 4.038 40 0 GIABRN O=C(c1cc(Br)cc(Br)c1Cl)N1CCCCC1 ZINC000041127300 570689891 /nfs/dbraw/zinc/68/98/91/570689891.db2.gz NLFGAALNZUVLBW-UHFFFAOYSA-N 0 0 381.495 4.491 40 0 GIABRN CCN1C(=O)C(=Cc2ccc(OCc3ccccc3F)c(Cl)c2)NC1=S ZINC000409008190 570692614 /nfs/dbraw/zinc/69/26/14/570692614.db2.gz WDPPZOBSQBOBCD-YBEGLDIGSA-N 0 0 390.867 4.136 40 0 GIABRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O ZINC000409011435 570693682 /nfs/dbraw/zinc/69/36/82/570693682.db2.gz NJYRBBTXDBSTKM-QFGUUYLXSA-N 0 0 397.452 4.467 40 0 GIABRN Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc(NC(=S)N[C@H](C)c2ccccc2)n1 ZINC000260720849 570700298 /nfs/dbraw/zinc/70/02/98/570700298.db2.gz USXOYNVIGKGECE-BFYDXBDKSA-N 0 0 383.565 4.315 40 0 GIABRN Cc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NCc2ccccc2Cl)n1 ZINC000260710266 570700310 /nfs/dbraw/zinc/70/03/10/570700310.db2.gz GDBFLSAISUGIDM-ZDUSSCGKSA-N 0 0 389.956 4.161 40 0 GIABRN COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1OC(C)C ZINC000260753082 570702923 /nfs/dbraw/zinc/70/29/23/570702923.db2.gz BHGHHGMZLLCPLQ-JSNMRZPZSA-N 0 0 383.517 4.467 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(OC)c(OC)cc3C)N21 ZINC000260766339 570704228 /nfs/dbraw/zinc/70/42/28/570704228.db2.gz JRSDBXNZBZJNKR-UAOJZALGSA-N 0 0 383.517 4.387 40 0 GIABRN Cc1ccc2[nH]cc(C(=O)CN3CCC4(CC3)CC(=O)c3ccccc3O4)c2c1 ZINC000057823346 570704538 /nfs/dbraw/zinc/70/45/38/570704538.db2.gz UIIFRJWSMCLWTK-UHFFFAOYSA-N 0 0 388.467 4.159 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(CCOC)c3C)N21 ZINC000260778162 570705146 /nfs/dbraw/zinc/70/51/46/570705146.db2.gz RFEGYSZMCYBGIJ-UXPWSPDFSA-N 0 0 384.549 4.126 40 0 GIABRN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000000781472 570709592 /nfs/dbraw/zinc/70/95/92/570709592.db2.gz JMPZMWSOWOZULC-UHFFFAOYSA-N 0 0 386.908 4.273 40 0 GIABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1C(C)C ZINC000260918020 570714463 /nfs/dbraw/zinc/71/44/63/570714463.db2.gz KRIVJEHMIOMHNS-JRGCBEDISA-N 0 0 398.576 4.232 40 0 GIABRN O=C([O-])C[NH+]1CCC(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 ZINC000585263131 570715550 /nfs/dbraw/zinc/71/55/50/570715550.db2.gz NWRVEYLWRZJAGX-UHFFFAOYSA-N 0 0 394.500 4.213 40 0 GIABRN O=C(CCc1nc(-c2cccs2)no1)N1CCC(Cc2ccccc2)CC1 ZINC000058246670 570723333 /nfs/dbraw/zinc/72/33/33/570723333.db2.gz LSTGWJJRBRIUBK-UHFFFAOYSA-N 0 0 381.501 4.212 40 0 GIABRN CCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000003399781 570724517 /nfs/dbraw/zinc/72/45/17/570724517.db2.gz CQTIZUAMVJTCNI-UHFFFAOYSA-N 0 0 386.908 4.206 40 0 GIABRN CCCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000003465691 570724945 /nfs/dbraw/zinc/72/49/45/570724945.db2.gz QLTVYVLQRXHSMO-UHFFFAOYSA-N 0 0 384.480 4.082 40 0 GIABRN O=C(NCc1ccccc1Cl)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000012875047 570725727 /nfs/dbraw/zinc/72/57/27/570725727.db2.gz CTBAFHCQBAFTFW-UHFFFAOYSA-N 0 0 389.858 4.039 40 0 GIABRN CC(C)(C)NS(=O)(=O)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000005383666 570732760 /nfs/dbraw/zinc/73/27/60/570732760.db2.gz YDAFYJCBAKSNLW-UHFFFAOYSA-N 0 0 384.295 4.318 40 0 GIABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)c1 ZINC000005294670 570733101 /nfs/dbraw/zinc/73/31/01/570733101.db2.gz QPENIUZHUVEPGS-UHFFFAOYSA-N 0 0 389.864 4.341 40 0 GIABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000005579398 570734075 /nfs/dbraw/zinc/73/40/75/570734075.db2.gz PHDXECQJFHSWNM-UHFFFAOYSA-N 0 0 394.496 4.285 40 0 GIABRN CCCOc1ccc(N2C[C@@H](C(=O)Nc3nc4ccccc4s3)CC2=O)cc1 ZINC000005708190 570734358 /nfs/dbraw/zinc/73/43/58/570734358.db2.gz ONUNSFUJQDFBJJ-AWEZNQCLSA-N 0 0 395.484 4.077 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1 ZINC000005946216 570736847 /nfs/dbraw/zinc/73/68/47/570736847.db2.gz GEPLGORZGYWNLW-UHFFFAOYSA-N 0 0 378.428 4.049 40 0 GIABRN C[C@H](NC(=O)Cn1cc(C=O)c2cc(Br)ccc21)c1ccccc1 ZINC000006043779 570737772 /nfs/dbraw/zinc/73/77/72/570737772.db2.gz AIPLIAMPXVYGBP-ZDUSSCGKSA-N 0 0 385.261 4.094 40 0 GIABRN CCCNC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000006311199 570741611 /nfs/dbraw/zinc/74/16/11/570741611.db2.gz XQLAZRSHRGRDNN-UHFFFAOYSA-N 0 0 381.259 4.151 40 0 GIABRN Cc1cccc(NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1C ZINC000006451096 570743234 /nfs/dbraw/zinc/74/32/34/570743234.db2.gz UJOMOWAROGFMEB-FQEVSTJZSA-N 0 0 398.503 4.352 40 0 GIABRN CSC1=NN2[C@@H](C(=O)N1)c1ccccc1N[C@@H]2c1ccc(Cl)cc1Cl ZINC000588229302 570746317 /nfs/dbraw/zinc/74/63/17/570746317.db2.gz UEVMHTGGDAVZAO-CABCVRRESA-N 0 0 393.299 4.225 40 0 GIABRN CCCCc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000006652922 570748921 /nfs/dbraw/zinc/74/89/21/570748921.db2.gz KTDGFFVOHYUJNB-UHFFFAOYSA-N 0 0 388.533 4.051 40 0 GIABRN CSc1ccccc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000006911459 570750993 /nfs/dbraw/zinc/75/09/93/570750993.db2.gz WVZDIIDXLXDRBG-UHFFFAOYSA-N 0 0 380.435 4.390 40 0 GIABRN Cc1ccccc1CC(=O)N[C@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21 ZINC000013227658 570751116 /nfs/dbraw/zinc/75/11/16/570751116.db2.gz OMDTYQOZBZXFQD-FQEVSTJZSA-N 0 0 386.499 4.219 40 0 GIABRN O=C(Nc1cccc(Br)c1)C1CCN(C(=O)c2cccs2)CC1 ZINC000007126015 570756803 /nfs/dbraw/zinc/75/68/03/570756803.db2.gz YXBBVUZGMRYMHG-UHFFFAOYSA-N 0 0 393.306 4.002 40 0 GIABRN CC[C@@H](NS(=O)(=O)c1cc(Br)ccc1OC)c1ccc(C)cc1 ZINC000007308873 570757746 /nfs/dbraw/zinc/75/77/46/570757746.db2.gz CDBMLLHFCOOEGG-OAHLLOKOSA-N 0 0 398.322 4.196 40 0 GIABRN COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1OC ZINC000065091520 570758099 /nfs/dbraw/zinc/75/80/99/570758099.db2.gz UWKAGFJDJALAGY-OAHLLOKOSA-N 0 0 391.895 4.182 40 0 GIABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000007388090 570758780 /nfs/dbraw/zinc/75/87/80/570758780.db2.gz VYPHGIJTZCLNEL-UHFFFAOYSA-N 0 0 399.922 4.287 40 0 GIABRN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCC2)Nc1ccccc1Cl ZINC000107995977 570761980 /nfs/dbraw/zinc/76/19/80/570761980.db2.gz AVSBAUGTHNYMEM-UHFFFAOYSA-N 0 0 387.814 4.368 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3cccc(C)c3)c2)cc1 ZINC000013632761 570764737 /nfs/dbraw/zinc/76/47/37/570764737.db2.gz GQFOJOQUBJZUMA-UHFFFAOYSA-N 0 0 394.496 4.034 40 0 GIABRN CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1[C@@H](C)Oc1ccccc1 ZINC000008090386 570765080 /nfs/dbraw/zinc/76/50/80/570765080.db2.gz AROYGLKZISVXJC-MRXNPFEDSA-N 0 0 396.516 4.477 40 0 GIABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000008273676 570766323 /nfs/dbraw/zinc/76/63/23/570766323.db2.gz STKXGWQPPMBDNX-UHFFFAOYSA-N 0 0 388.265 4.236 40 0 GIABRN CCC(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)(C(=O)N(C)C)CC1 ZINC000257237222 570766860 /nfs/dbraw/zinc/76/68/60/570766860.db2.gz HFPVUJMXKXEFLQ-UHFFFAOYSA-N 0 0 378.516 4.003 40 0 GIABRN COc1cc(NC(=O)/C=C/c2ccccc2)ccc1N1C(=O)c2ccccc2C1=O ZINC000008111551 570766980 /nfs/dbraw/zinc/76/69/80/570766980.db2.gz UVTNAKWZOLNCRR-SDNWHVSQSA-N 0 0 398.418 4.148 40 0 GIABRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3)C2=O)c1 ZINC000008169637 570767213 /nfs/dbraw/zinc/76/72/13/570767213.db2.gz PHNIORJXROWXDZ-MHWRWJLKSA-N 0 0 384.482 4.084 40 0 GIABRN O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc(Cl)cc1Cl ZINC000008378335 570768551 /nfs/dbraw/zinc/76/85/51/570768551.db2.gz VAYWFNIMEOTDTQ-UHFFFAOYSA-N 0 0 390.255 4.412 40 0 GIABRN COc1ccc(Cl)cc1CNn1c(=S)[nH]nc1-c1ccccc1OC ZINC000008496569 570769592 /nfs/dbraw/zinc/76/95/92/570769592.db2.gz GRBVLPVGYHKNEU-UHFFFAOYSA-N 0 0 376.869 4.022 40 0 GIABRN COc1ccc(Cc2nnc(SCCCOc3ccccc3C=O)o2)cc1 ZINC000008731665 570771586 /nfs/dbraw/zinc/77/15/86/570771586.db2.gz PRPGPWNUNQJZAX-UHFFFAOYSA-N 0 0 384.457 4.043 40 0 GIABRN Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1C ZINC000013677904 570772642 /nfs/dbraw/zinc/77/26/42/570772642.db2.gz UPFHWRSNWNNOSZ-UHFFFAOYSA-N 0 0 394.496 4.285 40 0 GIABRN C[C@]12C(=O)N(c3ccccc3O)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 ZINC000009203295 570774441 /nfs/dbraw/zinc/77/44/41/570774441.db2.gz XTKSKFBQGXFLTL-BBLPBDBVSA-N 0 0 381.431 4.179 40 0 GIABRN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(SC)c1 ZINC000009664288 570776758 /nfs/dbraw/zinc/77/67/58/570776758.db2.gz HUWWNSWATPYNFF-UHFFFAOYSA-N 0 0 398.557 4.342 40 0 GIABRN COc1ccc(Cc2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000066088570 570776996 /nfs/dbraw/zinc/77/69/96/570776996.db2.gz XMZNKKPPKRHQTD-UHFFFAOYSA-N 0 0 393.414 4.449 40 0 GIABRN CC[C@H](C(=O)Nc1ccc(C)cc1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711937 570778004 /nfs/dbraw/zinc/77/80/04/570778004.db2.gz SNRLRKJPEUQBOT-GOSISDBHSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@@H](C(=O)Nc1ccccc1C(C)C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713580 570778315 /nfs/dbraw/zinc/77/83/15/570778315.db2.gz DMMSXXMJBRXTOQ-FQEVSTJZSA-N 0 0 388.533 4.302 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)cc1 ZINC000170569250 570787688 /nfs/dbraw/zinc/78/76/88/570787688.db2.gz OKWKSSHODGENDF-UHFFFAOYSA-N 0 0 390.443 4.266 40 0 GIABRN Cc1ccccc1CNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 ZINC000010314682 570787711 /nfs/dbraw/zinc/78/77/11/570787711.db2.gz WMAJQJPTJUEXSI-UHFFFAOYSA-N 0 0 394.496 4.034 40 0 GIABRN Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1NS(C)(=O)=O ZINC000010315189 570788332 /nfs/dbraw/zinc/78/83/32/570788332.db2.gz FDNUPKHSDSAJAT-UHFFFAOYSA-N 0 0 396.468 4.411 40 0 GIABRN Cc1cccc(-c2nnc(SCC(=O)Nc3nc4ccccc4s3)o2)c1 ZINC000012178425 570802796 /nfs/dbraw/zinc/80/27/96/570802796.db2.gz KOEXWZBINDYPQD-UHFFFAOYSA-N 0 0 382.470 4.386 40 0 GIABRN COc1ccccc1C(=O)N1[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)C[C@@H]2CCCC[C@@H]21 ZINC000058788501 570819549 /nfs/dbraw/zinc/81/95/49/570819549.db2.gz PFEAOGPSDOLYCY-XYYCENQHSA-N 0 0 398.547 4.163 40 0 GIABRN C[C@@H](NC(=O)c1ccc(I)cc1)c1ccc(Cl)cc1 ZINC000070134293 570825457 /nfs/dbraw/zinc/82/54/57/570825457.db2.gz JEQGHFHKOMRYIS-SNVBAGLBSA-N 0 0 385.632 4.436 40 0 GIABRN COc1ccc(CN(Cc2cccnc2)Cc2ccccc2F)c(OC)c1OC ZINC000013569025 570850636 /nfs/dbraw/zinc/85/06/36/570850636.db2.gz PWKYRZPPVSODFT-UHFFFAOYSA-N 0 0 396.462 4.449 40 0 GIABRN CCc1ccccc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000010370140 570855928 /nfs/dbraw/zinc/85/59/28/570855928.db2.gz ONKXNZVPVUSNCB-AWEZNQCLSA-N 0 0 394.924 4.004 40 0 GIABRN C[C@@H]1C[C@H]1C(=O)N1CC[C@H](c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C(C)(C)C)N3)C1 ZINC000072337828 570879833 /nfs/dbraw/zinc/87/98/33/570879833.db2.gz LMWTYJYVPCZGRO-RHBQXOTJSA-N 0 0 398.473 4.189 40 0 GIABRN Cn1c(CNc2ncc(-c3cnccn3)c(-c3cccs3)n2)nc2ccccc21 ZINC000072338760 570879858 /nfs/dbraw/zinc/87/98/58/570879858.db2.gz XYKVBBSQOQIKKU-UHFFFAOYSA-N 0 0 399.483 4.161 40 0 GIABRN COc1cc(CN2[C@@H]3CC[C@H]2Cc2c3cnc3cc(C(C)(C)C)nn32)ccc1O ZINC000072337360 570879869 /nfs/dbraw/zinc/87/98/69/570879869.db2.gz HEXFTBPHDHZVAR-DOTOQJQBSA-N 0 0 392.503 4.003 40 0 GIABRN CCOC(=O)c1c(NC(=O)CN2CCCc3ccccc32)sc2c1CCCC2 ZINC000014217232 570880452 /nfs/dbraw/zinc/88/04/52/570880452.db2.gz JVEMKJMNPZBKGS-UHFFFAOYSA-N 0 0 398.528 4.195 40 0 GIABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cccc(Cl)c1 ZINC000014291296 570881506 /nfs/dbraw/zinc/88/15/06/570881506.db2.gz KVCISMZYGDGXSX-UHFFFAOYSA-N 0 0 399.863 4.076 40 0 GIABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000014291300 570881541 /nfs/dbraw/zinc/88/15/41/570881541.db2.gz LTOANQAULGBIHA-UHFFFAOYSA-N 0 0 399.863 4.076 40 0 GIABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000014397655 570883261 /nfs/dbraw/zinc/88/32/61/570883261.db2.gz KWCWILIWKZMHSJ-IBGZPJMESA-N 0 0 384.476 4.020 40 0 GIABRN Cc1cc(-c2cnc(NC3CC3)nc2[C@H]2CC[C@H](CNC(=O)C(C)C)CC2)on1 ZINC000257204234 570888157 /nfs/dbraw/zinc/88/81/57/570888157.db2.gz ATQNHZMCMLMMRL-WKILWMFISA-N 0 0 397.523 4.060 40 0 GIABRN CCCC(=O)Nc1cccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000014405018 570891133 /nfs/dbraw/zinc/89/11/33/570891133.db2.gz ZZBZJIPVQPNMAJ-UHFFFAOYSA-N 0 0 376.460 4.480 40 0 GIABRN COc1ccc(OCCCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 ZINC000014401000 570891816 /nfs/dbraw/zinc/89/18/16/570891816.db2.gz RCVCMFSZEQJUQP-UHFFFAOYSA-N 0 0 384.476 4.021 40 0 GIABRN CCCC[C@H](CC)C(=O)OCCCNC(=O)[C@@H](C)OC(=O)[C@@H](CC)CCCC ZINC000004429841 570896373 /nfs/dbraw/zinc/89/63/73/570896373.db2.gz PIVXTLFIOLOFOJ-QYZOEREBSA-N 0 0 399.572 4.400 40 0 GIABRN COc1ccccc1[C@@H]1C(C(=O)OC(C)C)C(C)=Nc2nc3ccccc3n21 ZINC000017077196 570916364 /nfs/dbraw/zinc/91/63/64/570916364.db2.gz HSBDAMGDPVMWKD-HXUWFJFHSA-N 0 0 377.444 4.285 40 0 GIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NC(=O)C[C@@H](C)n2ccnc2C)cc1 ZINC000019287647 570924832 /nfs/dbraw/zinc/92/48/32/570924832.db2.gz OBTLZZMYKIUSHR-MMGNGDMDSA-N 0 0 381.520 4.240 40 0 GIABRN Cc1ccccc1C(=O)N1CCC2(CCC(CC(=O)N3CCCC3)CC2)CC1 ZINC000585101527 570926968 /nfs/dbraw/zinc/92/69/68/570926968.db2.gz RGVCTUOVDUDSKW-UHFFFAOYSA-N 0 0 382.548 4.420 40 0 GIABRN Cc1cc2nc(-c3cc(NC(N)=S)ccc3O)oc2c(Br)c1C ZINC000020156913 570930589 /nfs/dbraw/zinc/93/05/89/570930589.db2.gz QOBKOSFQWHWLQE-UHFFFAOYSA-N 0 0 392.278 4.235 40 0 GIABRN O=S(=O)(Nc1cccc(C(F)(F)F)c1F)c1ccc(Br)cc1 ZINC000107368005 570951211 /nfs/dbraw/zinc/95/12/11/570951211.db2.gz HAZRCPVGOGZMDS-UHFFFAOYSA-N 0 0 398.175 4.408 40 0 GIABRN CC1(C)CC(=O)C2=C(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)NN[C@H]2C1 ZINC000228978137 570951905 /nfs/dbraw/zinc/95/19/05/570951905.db2.gz ICVQIIZUUFETOB-AAEUAGOBSA-N 0 0 378.316 4.405 40 0 GIABRN Cc1cc(-c2cnc(NC(C)C)nc2C2CCN(C(=O)C3CCCC3)CC2)on1 ZINC000019122773 570957495 /nfs/dbraw/zinc/95/74/95/570957495.db2.gz QBRZHNWBRCBHEL-UHFFFAOYSA-N 0 0 397.523 4.157 40 0 GIABRN C[C@@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)[C@@H](C)C1 ZINC000230426206 570963457 /nfs/dbraw/zinc/96/34/57/570963457.db2.gz XYFJGNDRIGZIKX-DVZHBHJUSA-N 0 0 396.413 4.397 40 0 GIABRN COC(=O)[C@@H](NC(=O)c1cn(CCCCCF)c2ccccc12)C(C)(C)C ZINC000585662093 570968157 /nfs/dbraw/zinc/96/81/57/570968157.db2.gz CHSUEEBESACQDV-GOSISDBHSA-N 0 0 376.472 4.099 40 0 in-vitro GIABRN C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000004287806 570969867 /nfs/dbraw/zinc/96/98/67/570969867.db2.gz JTDBKCACGGYRPG-WOSRLPQWSA-N 0 0 392.956 4.311 40 0 GIABRN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc2[nH]c3ccccc3c2c1 ZINC000044781957 570977351 /nfs/dbraw/zinc/97/73/51/570977351.db2.gz QGWWPTANMUKRLF-UHFFFAOYSA-N 0 0 397.434 4.336 40 0 GIABRN Cc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(C)C)S(C)(=O)=O ZINC000243721490 570988125 /nfs/dbraw/zinc/98/81/25/570988125.db2.gz POTQMVAGNWYDEP-UHFFFAOYSA-N 0 0 394.924 4.177 40 0 GIABRN CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(C(C)=O)cc2)CC1=O ZINC000244211548 570989258 /nfs/dbraw/zinc/98/92/58/570989258.db2.gz VUNLTJRJRAKQCU-IBGZPJMESA-N 0 0 378.472 4.006 40 0 GIABRN O=C([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000585183196 571000212 /nfs/dbraw/zinc/00/02/12/571000212.db2.gz MDYDJKGNWLHPBW-GOSISDBHSA-N 0 0 394.446 4.482 40 0 GIABRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@]3(C)C2=O)cc1 ZINC000004899154 571004567 /nfs/dbraw/zinc/00/45/67/571004567.db2.gz XAMAGBJBSKQBOE-FBLLAGFSSA-N 0 0 398.462 4.436 40 0 GIABRN CCNc1nc(Nc2ccc(Br)c(C)c2)cc(-c2ccccn2)n1 ZINC000328956495 571046880 /nfs/dbraw/zinc/04/68/80/571046880.db2.gz AGLCSXVVYNMDMF-UHFFFAOYSA-N 0 0 384.281 4.207 40 0 GIABRN CCOc1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3)o2)cc1 ZINC000005294812 817570353 /nfs/dbraw/zinc/57/03/53/817570353.db2.gz ASAWUORKSPPNED-UHFFFAOYSA-N 0 0 399.472 4.087 40 0 GIABRN CC(C)c1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 ZINC000005318426 817574226 /nfs/dbraw/zinc/57/42/26/817574226.db2.gz NUDVZRBBHWQLEZ-UHFFFAOYSA-N 0 0 381.501 4.099 40 0 GIABRN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)NCC(C)C)c1 ZINC000005356257 817576372 /nfs/dbraw/zinc/57/63/72/817576372.db2.gz HBUQHDWZYGAHJS-UHFFFAOYSA-N 0 0 394.544 4.031 40 0 GIABRN Cc1cc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)ccc1Br ZINC000005613876 817599681 /nfs/dbraw/zinc/59/96/81/817599681.db2.gz ZUKUVZCZEVKCEE-UHFFFAOYSA-N 0 0 396.668 4.135 40 0 GIABRN OCCN(C(=S)Nc1cc2ccncc2c2ncccc12)C1=CCCC=C1 ZINC000006045370 817643452 /nfs/dbraw/zinc/64/34/52/817643452.db2.gz JIZHJJGAMNCDJT-UHFFFAOYSA-N 0 0 376.485 4.008 40 0 GIABRN COc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1 ZINC000006170131 817665525 /nfs/dbraw/zinc/66/55/25/817665525.db2.gz DVQMDZKHJCTUBZ-UHFFFAOYSA-N 0 0 380.419 4.464 40 0 GIABRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(N4CCCCCC4)o3)C2=O)cc1 ZINC000006199331 817666691 /nfs/dbraw/zinc/66/66/91/817666691.db2.gz FQCLCJJNQHBPJA-XMHGGMMESA-N 0 0 379.460 4.061 40 0 GIABRN O=C1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n2ncnc2N1 ZINC000006225796 817668828 /nfs/dbraw/zinc/66/88/28/817668828.db2.gz FLEUXFXXKPRVSF-MRXNPFEDSA-N 0 0 389.242 4.096 40 0 GIABRN CCCC(=O)NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000006709621 817716888 /nfs/dbraw/zinc/71/68/88/817716888.db2.gz LEXIIWSRHHINAV-UHFFFAOYSA-N 0 0 375.881 4.205 40 0 GIABRN CCOc1ccc(NC(=O)Cn2nc(COc3ccc(C)cc3)oc2=S)cc1 ZINC000006963093 817729678 /nfs/dbraw/zinc/72/96/78/817729678.db2.gz XCOAGAKMXALFCM-UHFFFAOYSA-N 0 0 399.472 4.130 40 0 GIABRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(N4CCCCC4)c(F)c3)C2=O)c1 ZINC000006967236 817730920 /nfs/dbraw/zinc/73/09/20/817730920.db2.gz FFMCKQYGLOZDKL-XSFVSMFZSA-N 0 0 393.462 4.217 40 0 GIABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)NCC(C)C)cc1 ZINC000006966503 817730950 /nfs/dbraw/zinc/73/09/50/817730950.db2.gz OHLDGAHOUAOECW-UHFFFAOYSA-N 0 0 394.544 4.031 40 0 GIABRN CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)OCC(C)C)C1=O ZINC000007078449 817754809 /nfs/dbraw/zinc/75/48/09/817754809.db2.gz RCDVSNUGPGRENB-FBJMNJBLSA-N 0 0 391.489 4.099 40 0 GIABRN Cc1ccc(O[C@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1C ZINC000007381980 817828225 /nfs/dbraw/zinc/82/82/25/817828225.db2.gz WRLIZBBGYQWJPA-GOSISDBHSA-N 0 0 386.923 4.381 40 0 GIABRN O=C(COC(=O)CCC(=O)c1ccccc1)Nc1cccc(Cl)c1Cl ZINC000007396186 817830033 /nfs/dbraw/zinc/83/00/33/817830033.db2.gz RNOFLMZHDULZRD-UHFFFAOYSA-N 0 0 380.227 4.138 40 0 GIABRN COc1ccc(CCNC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn32)cc1 ZINC000007604318 817878083 /nfs/dbraw/zinc/87/80/83/817878083.db2.gz NNSZDMLHQSRHDA-UHFFFAOYSA-N 0 0 398.462 4.157 40 0 GIABRN CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O ZINC000007928249 817961703 /nfs/dbraw/zinc/96/17/03/817961703.db2.gz WGRDFSXUDWGKMA-GFCCVEGCSA-N 0 0 393.270 4.384 40 0 GIABRN CCOc1ccc(N2C[C@@H](C(=O)Oc3cc(C)ccc3C(C)C)CC2=O)cc1 ZINC000007929186 817962884 /nfs/dbraw/zinc/96/28/84/817962884.db2.gz VKDIWJWXVOKJEC-KRWDZBQOSA-N 0 0 381.472 4.476 40 0 GIABRN Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(Br)cc3)CC2=O)cc1C ZINC000007929216 817962889 /nfs/dbraw/zinc/96/28/89/817962889.db2.gz RQJIAVJZQLTEHT-AWEZNQCLSA-N 0 0 388.261 4.024 40 0 GIABRN CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)N[C@@H](C)CC ZINC000008050438 817989351 /nfs/dbraw/zinc/98/93/51/817989351.db2.gz CKRHZDFAANHEAC-MAUKXSAKSA-N 0 0 384.476 4.020 40 0 GIABRN O=C(CSc1nc(=O)c2ccsc2[nH]1)Nc1cc(Cl)ccc1Cl ZINC000016543409 818453196 /nfs/dbraw/zinc/45/31/96/818453196.db2.gz PXFRYTSKEVBVMI-UHFFFAOYSA-N 0 0 386.285 4.022 40 0 GIABRN COc1cccc(-c2cc(C)nc(C3CCN(C(=O)c4ccccn4)CC3)c2)c1 ZINC000019690974 818598789 /nfs/dbraw/zinc/59/87/89/818598789.db2.gz MZNQMPOCHKYBLX-UHFFFAOYSA-N 0 0 387.483 4.480 40 0 GIABRN Cc1nnsc1C(=O)N1CCC[C@@H]1c1cc(-c2ccc(F)cc2)cc(C)n1 ZINC000019691317 818598914 /nfs/dbraw/zinc/59/89/14/818598914.db2.gz XWAOIJUHFKIKNC-GOSISDBHSA-N 0 0 382.464 4.333 40 0 GIABRN O=C(C1CCCC1)N1CCO[C@@H](c2ccc(Cc3ccccc3Cl)cn2)C1 ZINC000019692843 818599420 /nfs/dbraw/zinc/59/94/20/818599420.db2.gz GPTRMHPVCKNUAE-OAQYLSRUSA-N 0 0 384.907 4.416 40 0 GIABRN O=C(C1CCCC1)N1CCO[C@H](c2ccc(Cc3ccccc3Cl)cn2)C1 ZINC000019692842 818599532 /nfs/dbraw/zinc/59/95/32/818599532.db2.gz GPTRMHPVCKNUAE-NRFANRHFSA-N 0 0 384.907 4.416 40 0 GIABRN COc1cccc(-c2ccc([C@@H]3CN(Cc4cnc(C)s4)CCO3)nc2)c1 ZINC000019693480 818600020 /nfs/dbraw/zinc/60/00/20/818600020.db2.gz NVEKNAYTPZWHQM-NRFANRHFSA-N 0 0 381.501 4.096 40 0 GIABRN Cc1ccc2c(CC(=O)Nc3cccc([C@H]4CCc5nncn5C4)c3)coc2c1 ZINC000019699101 818600161 /nfs/dbraw/zinc/60/01/61/818600161.db2.gz XAPNBTLLMLDZOV-KRWDZBQOSA-N 0 0 386.455 4.244 40 0 GIABRN O=C(c1ccc(F)cc1)N1CCC[C@H]1c1cc(CCOc2ccccc2F)n[nH]1 ZINC000019703664 818600761 /nfs/dbraw/zinc/60/07/61/818600761.db2.gz HHSGGCIQZXYFFY-FQEVSTJZSA-N 0 0 397.425 4.287 40 0 GIABRN CC(C)Nc1n[nH]c2nc(C3CCN(C(=O)C(C)C)CC3)cc(C(F)(F)F)c12 ZINC000019745070 818604307 /nfs/dbraw/zinc/60/43/07/818604307.db2.gz USYMADSMFSAJJJ-UHFFFAOYSA-N 0 0 397.445 4.159 40 0 GIABRN Cc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCc3ccccc3C2)cc1 ZINC000020121059 818614714 /nfs/dbraw/zinc/61/47/14/818614714.db2.gz RLSHYNOKTHJYFA-XMMPIXPASA-N 0 0 395.510 4.178 40 0 GIABRN O=C(Sc1nnc(Cc2ccccc2)o1)c1ccc(Br)cc1 ZINC000033725985 821059537 /nfs/dbraw/zinc/05/95/37/821059537.db2.gz RMDVZRLDBUCVMO-UHFFFAOYSA-N 0 0 375.247 4.355 40 0 GIABRN COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)cc1 ZINC000033739872 821060025 /nfs/dbraw/zinc/06/00/25/821060025.db2.gz DQWDKUWJVCLIHK-UHFFFAOYSA-N 0 0 389.908 4.076 40 0 GIABRN CCCOc1ccc(C(=O)NC(=S)Nc2cccc3cc(O)ccc32)cc1 ZINC000033770524 821060111 /nfs/dbraw/zinc/06/01/11/821060111.db2.gz WFLPBGXGMWSWFU-UHFFFAOYSA-N 0 0 380.469 4.461 40 0 GIABRN COc1c(Cl)cc(Cl)cc1C(=S)N1CCN(Cc2ccccc2)CC1 ZINC000034687987 821062081 /nfs/dbraw/zinc/06/20/81/821062081.db2.gz MNSUUBWODDRVFE-UHFFFAOYSA-N 0 0 395.355 4.495 40 0 GIABRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc2c(c1)OCCO2 ZINC000046874011 822525811 /nfs/dbraw/zinc/52/58/11/822525811.db2.gz QQSYDNHRSVYFQZ-UHFFFAOYSA-N 0 0 392.377 4.329 40 0 GIABRN O=C(NCCC1CCCCC1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408708989 231101826 /nfs/dbraw/zinc/10/18/26/231101826.db2.gz NYDWORRKHNKGNK-UHFFFAOYSA-N 0 0 376.806 4.384 40 0 GIABRN Cc1ccc(C(=O)OCC(=O)Nc2cc(C)c(Br)cc2C)cc1 ZINC000408644819 231091187 /nfs/dbraw/zinc/09/11/87/231091187.db2.gz IFSJGPPYKASCCQ-UHFFFAOYSA-N 0 0 376.250 4.170 40 0 GIABRN C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC1CCCCCC1 ZINC000408736561 231108466 /nfs/dbraw/zinc/10/84/66/231108466.db2.gz CPKYJXSKRZRLJA-SFHVURJKSA-N 0 0 378.516 4.162 40 0 GIABRN Cc1cc2c(cc1/C=C1\SC(Nc3ccc(Cl)cc3C)NC1=O)OCO2 ZINC000408800268 231115748 /nfs/dbraw/zinc/11/57/48/231115748.db2.gz LHSGYZXYYMBVPD-UHFFFAOYSA-N 0 0 387.868 4.449 40 0 GIABRN Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2ccccc2)c2ccccc2)cc1 ZINC000408979806 231141033 /nfs/dbraw/zinc/14/10/33/231141033.db2.gz OPZDTDPCCQNYBN-NRFANRHFSA-N 0 0 394.496 4.043 40 0 GIABRN Cc1cccc(COc2c(Cl)cc(/C=C3/NC(=O)NC3=O)cc2Cl)c1 ZINC000409044853 231150746 /nfs/dbraw/zinc/15/07/46/231150746.db2.gz CWGGVFZSTWPWIK-OVCLIPMQSA-N 0 0 377.227 4.061 40 0 GIABRN Cc1cc(C)c(OCC(=O)N2NC3=C(CCCCC3)[C@@]2(O)C(F)(F)F)c(C)c1 ZINC000408956999 231134942 /nfs/dbraw/zinc/13/49/42/231134942.db2.gz SCHQVFMBJNMIOC-HNAYVOBHSA-N 0 0 398.425 4.020 40 0 GIABRN Cc1ccc(NC(=O)Nc2ccc3nc(N4C(=O)CCC4=O)sc3c2)cc1C ZINC000409142860 231171053 /nfs/dbraw/zinc/17/10/53/231171053.db2.gz BRANLGCVMVGRAW-UHFFFAOYSA-N 0 0 394.456 4.211 40 0 GIABRN CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccccc1Cl ZINC000409152127 231172389 /nfs/dbraw/zinc/17/23/89/231172389.db2.gz DJJHYEDWGKDWGN-XJKSGUPXSA-N 0 0 392.956 4.405 40 0 GIABRN O=C(Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S)Nc1ccccc1 ZINC000409163539 231173857 /nfs/dbraw/zinc/17/38/57/231173857.db2.gz TUFJYHKTGOCBHT-UHFFFAOYSA-N 0 0 395.484 4.302 40 0 GIABRN Cc1ccc(OCc2nn(CC(=O)Nc3cccc(F)c3C)c(=S)o2)cc1 ZINC000409172843 231174645 /nfs/dbraw/zinc/17/46/45/231174645.db2.gz LXWFWGZBLFQSSU-UHFFFAOYSA-N 0 0 387.436 4.179 40 0 GIABRN Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)o1 ZINC000409177192 231175163 /nfs/dbraw/zinc/17/51/63/231175163.db2.gz DDBZWRAPPJYPKN-OVCLIPMQSA-N 0 0 390.848 4.225 40 0 GIABRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4cccc(F)c4)o3)C2=O)c1 ZINC000409228182 231183234 /nfs/dbraw/zinc/18/32/34/231183234.db2.gz VKOLUPPDPKFVDH-XDHOZWIPSA-N 0 0 376.387 4.487 40 0 GIABRN O=C(CN1C(=O)S/C(=C/C=C/c2ccco2)C1=O)Nc1ccccc1Cl ZINC000409248027 231187434 /nfs/dbraw/zinc/18/74/34/231187434.db2.gz FKDZPLZMNQJPNU-GTXXEFQVSA-N 0 0 388.832 4.164 40 0 GIABRN Cc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)Nc1ccccc1 ZINC000409410552 231201700 /nfs/dbraw/zinc/20/17/00/231201700.db2.gz NXQTTXOXPNVQDW-UHFFFAOYSA-N 0 0 386.517 4.248 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccnc3)ccc2C)cc1C ZINC000409411105 231201707 /nfs/dbraw/zinc/20/17/07/231201707.db2.gz CDRAOSISZPMAEX-UHFFFAOYSA-N 0 0 395.484 4.060 40 0 GIABRN CCc1ccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000408705148 529675319 /nfs/dbraw/zinc/67/53/19/529675319.db2.gz YWTVLRNPTKLKBQ-UHFFFAOYSA-N 0 0 394.496 4.330 40 0 GIABRN CCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223760971 222643774 /nfs/dbraw/zinc/64/37/74/222643774.db2.gz NCFSROXRQHZLFS-UWJYYQICSA-N 0 0 384.495 4.090 40 0 GIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223761356 222643844 /nfs/dbraw/zinc/64/38/44/222643844.db2.gz XMCWRFNIQFDZJI-GCJKJVERSA-N 0 0 398.522 4.480 40 0 GIABRN CN(Cc1nnc(-c2ccccc2)o1)C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000408714046 530029760 /nfs/dbraw/zinc/02/97/60/530029760.db2.gz HITYTJOSEWXDHL-UHFFFAOYSA-N 0 0 385.851 4.206 40 0 GIABRN CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C1=O ZINC000409188781 530045721 /nfs/dbraw/zinc/04/57/21/530045721.db2.gz GGCLQCYBWAHTJZ-OVCLIPMQSA-N 0 0 395.217 4.234 40 0 GIABRN O=C(NCc1ccccc1)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000005947010 209124886 /nfs/dbraw/zinc/12/48/86/209124886.db2.gz HWMAKJGPYTVKQD-ZBFHGGJFSA-N 0 0 390.365 4.066 40 0 GIABRN Cc1ccc(S(=O)(=O)CCC(=O)OCc2ccc(Cl)cc2Cl)cc1 ZINC000004285529 209121379 /nfs/dbraw/zinc/12/13/79/209121379.db2.gz NCSLYOMFMMKOAN-UHFFFAOYSA-N 0 0 387.284 4.209 40 0 GIABRN CNc1nc(Nc2c(C)cccc2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329035293 206243185 /nfs/dbraw/zinc/24/31/85/206243185.db2.gz RCJWVJNFMJZFFU-UHFFFAOYSA-N 0 0 388.393 4.288 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2cccc(Br)c2)cc(-c2ccncc2)n1 ZINC000329063815 206244377 /nfs/dbraw/zinc/24/43/77/206244377.db2.gz XFEUXSVWINNWMO-CYBMUJFWSA-N 0 0 398.308 4.099 40 0 GIABRN COc1cc(Cl)cc([C@H](C)Nc2cc(F)ccc2S(C)(=O)=O)c1OC ZINC000016697499 206246502 /nfs/dbraw/zinc/24/65/02/206246502.db2.gz QFERHMHAQLSNAW-JTQLQIEISA-N 0 0 387.860 4.073 40 0 GIABRN Cc1nc2cc(Nc3cc(C(F)(F)F)nc(NC4CCCC4)n3)ccc2s1 ZINC000328980826 206238951 /nfs/dbraw/zinc/23/89/51/206238951.db2.gz GPVQLWUQSQVPTP-UHFFFAOYSA-N 0 0 393.438 4.355 40 0 GIABRN Fc1ccc(F)c(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)c1 ZINC000328972632 206239690 /nfs/dbraw/zinc/23/96/90/206239690.db2.gz DWHJAHDBDMTCBQ-UHFFFAOYSA-N 0 0 381.430 4.149 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2ccc(Br)cc2F)cc(C2CC2)n1 ZINC000328972149 206239833 /nfs/dbraw/zinc/23/98/33/206239833.db2.gz DUHKIAFHNIRUQP-SNVBAGLBSA-N 0 0 379.277 4.053 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc(Nc2cccc(Cl)c2Cl)cc(C2CC2)n1 ZINC000329020852 206240289 /nfs/dbraw/zinc/24/02/89/206240289.db2.gz OEAGTBXMKHAKPQ-OAHLLOKOSA-N 0 0 381.307 4.255 40 0 GIABRN Cc1c(F)cccc1Nc1cc(-c2cccnc2)nc(NC2CCCCC2)n1 ZINC000329007712 206240409 /nfs/dbraw/zinc/24/04/09/206240409.db2.gz LNIRKWSMCWSLDU-UHFFFAOYSA-N 0 0 377.467 4.318 40 0 GIABRN CC(C)[C@H](CO)Nc1cc(N2Cc3ccccc3CC2(C)C)nc(C2CC2)n1 ZINC000329014363 206240621 /nfs/dbraw/zinc/24/06/21/206240621.db2.gz MVDXKHWNEAMYIM-IBGZPJMESA-N 0 0 380.536 4.124 40 0 GIABRN Cc1ccc(Nc2cc(-c3ccccc3)nc(N[C@H](CO)C(C)C)n2)cc1F ZINC000329034356 206243102 /nfs/dbraw/zinc/24/31/02/206243102.db2.gz QYLJSIHWQLHYNR-HXUWFJFHSA-N 0 0 380.467 4.185 40 0 GIABRN Cc1cccc2c(Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccnc12 ZINC000032609544 206257493 /nfs/dbraw/zinc/25/74/93/206257493.db2.gz CFYZGWWZROIQLR-UHFFFAOYSA-N 0 0 381.501 4.461 40 0 GIABRN Cc1cc(C)c(OCC(=O)Nc2c(C)cc(N)cc2C)c(Br)c1 ZINC000045890342 206263839 /nfs/dbraw/zinc/26/38/39/206263839.db2.gz VRVLMRWBZAXYJW-UHFFFAOYSA-N 0 0 377.282 4.282 40 0 GIABRN COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4cc(C)cc(C)c4o3)c2)C1 ZINC000045887572 206264581 /nfs/dbraw/zinc/26/45/81/206264581.db2.gz PFGWWSZGESVRNI-ZDUSSCGKSA-N 0 0 398.846 4.291 40 0 GIABRN CCOC(=O)[C@H]1CC(=O)N(c2ccc3oc(-c4cccc(Cl)c4)nc3c2)C1 ZINC000057326994 206279235 /nfs/dbraw/zinc/27/92/35/206279235.db2.gz UYOOSDVDOJNPJS-ZDUSSCGKSA-N 0 0 384.819 4.064 40 0 GIABRN CCOC(=O)[C@@H]1CC(=O)N(c2ccc3oc(-c4ccccc4Cl)nc3c2)C1 ZINC000057326975 206279164 /nfs/dbraw/zinc/27/91/64/206279164.db2.gz LBNQYRZXNYZGON-GFCCVEGCSA-N 0 0 384.819 4.064 40 0 GIABRN O=C(c1ccccc1Br)N1CC[C@@H](Oc2cccc3cccnc32)C1 ZINC000253401621 206282990 /nfs/dbraw/zinc/28/29/90/206282990.db2.gz NJZRXBJAFFXFLF-OAHLLOKOSA-N 0 0 397.272 4.291 40 0 GIABRN O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@@H](c2cccs2)O1 ZINC000000710006 206317958 /nfs/dbraw/zinc/31/79/58/206317958.db2.gz QKOUIVDGEKTHKD-GHTZIAJQSA-N 0 0 381.453 4.299 40 0 GIABRN Cc1nnc(S[C@H](C)C(=O)Nc2c(C)cccc2C)n1Cc1ccccc1 ZINC000000899817 206331685 /nfs/dbraw/zinc/33/16/85/206331685.db2.gz HHEVPOUEXDLSNO-MRXNPFEDSA-N 0 0 380.517 4.371 40 0 GIABRN CCOc1cc(CO)cc(I)c1OCc1cccc(C)c1 ZINC000034772817 206306510 /nfs/dbraw/zinc/30/65/10/206306510.db2.gz NCUSNCMOOCPGTO-UHFFFAOYSA-N 0 0 398.240 4.070 40 0 GIABRN O=C1OC(c2ccc(Br)cc2)=N/C1=C/c1ccc(Br)o1 ZINC000001084906 206351218 /nfs/dbraw/zinc/35/12/18/206351218.db2.gz UIFOBLYANSNQTF-YRNVUSSQSA-N 0 0 397.022 4.149 40 0 GIABRN CCOC(=O)c1sc2c(c1NC(=O)c1ccc(Cl)cc1)CCCC2=O ZINC000001092746 206352194 /nfs/dbraw/zinc/35/21/94/206352194.db2.gz CGCJLAOSSZSYIS-UHFFFAOYSA-N 0 0 377.849 4.350 40 0 GIABRN O=C1[C@H](Cc2ccccc2)C(=O)N2c3ccccc3C=C[C@@H]2N1c1ccccc1 ZINC000001591653 206386652 /nfs/dbraw/zinc/38/66/52/206386652.db2.gz HELUUHQYJVWQKD-JTHBVZDNSA-N 0 0 380.447 4.278 40 0 GIABRN Cc1c2c(ccc1Cl)[C@](O)(CC(=O)c1ccc(Cl)cc1Cl)C(=O)N2 ZINC000001624458 206387357 /nfs/dbraw/zinc/38/73/57/206387357.db2.gz OHYRTGIXLQIRTN-QGZVFWFLSA-N 0 0 384.646 4.368 40 0 GIABRN CCOC(=O)[C@H](Cc1ccccc1)Nc1c(Cl)c(=O)oc2ccc(C)cc21 ZINC000001673200 206388540 /nfs/dbraw/zinc/38/85/40/206388540.db2.gz MNELITAPLFMXJB-INIZCTEOSA-N 0 0 385.847 4.341 40 0 GIABRN CCOc1ccc(NCN2C(=O)S/C(=C\c3ccc(OC)cc3)C2=O)cc1 ZINC000005250301 206601931 /nfs/dbraw/zinc/60/19/31/206601931.db2.gz OBCZXEKIIASQTM-PDGQHHTCSA-N 0 0 384.457 4.200 40 0 GIABRN CC(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc2c1OC(C)=O ZINC000005535777 206618125 /nfs/dbraw/zinc/61/81/25/206618125.db2.gz HOQUQYNSDHDQAD-UHFFFAOYSA-N 0 0 386.787 4.272 40 0 GIABRN Cc1ccc(NC(=S)N2CCC(NC(=O)c3cccc(F)c3)CC2)cc1C ZINC000035291802 206632447 /nfs/dbraw/zinc/63/24/47/206632447.db2.gz IQZAMGPGLRAOKZ-UHFFFAOYSA-N 0 0 385.508 4.034 40 0 GIABRN Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)Nc1ccccc1F ZINC000035311117 206643513 /nfs/dbraw/zinc/64/35/13/206643513.db2.gz CUURXHWXZMAGCM-AYHJJNSGSA-N 0 0 395.478 4.482 40 0 GIABRN O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)c1ccccc1Cl ZINC000006896505 206692229 /nfs/dbraw/zinc/69/22/29/206692229.db2.gz WQHXBYIQRNUXCK-UHFFFAOYSA-N 0 0 386.860 4.219 40 0 GIABRN O=C(CN(c1ccc(Cl)cc1)C1=NCCCC1)c1ccc2c(c1)OCCO2 ZINC000008418844 206751047 /nfs/dbraw/zinc/75/10/47/206751047.db2.gz OZUSGIDGJYJIFZ-UHFFFAOYSA-N 0 0 384.863 4.383 40 0 GIABRN CCCCN(C)C(=O)c1nc(-c2ccn(Cc3cccnc3)c2)n2ccccc12 ZINC000306140218 209106154 /nfs/dbraw/zinc/10/61/54/209106154.db2.gz UNCOOFLPGWKQFM-UHFFFAOYSA-N 0 0 387.487 4.118 40 0 GIABRN Cc1cc(-c2cnc(C)nc2C2CCN(C(=O)Cc3ccc(C)s3)CC2)on1 ZINC000012118350 206858776 /nfs/dbraw/zinc/85/87/76/206858776.db2.gz GDOADIFFNIOIRB-UHFFFAOYSA-N 0 0 396.516 4.067 40 0 GIABRN CC[C@@H](Oc1ccccc1F)C(=O)N1CCC(C(C)=O)(c2ccccc2)CC1 ZINC000012205662 206870113 /nfs/dbraw/zinc/87/01/13/206870113.db2.gz PTFWKILRZJSNTB-HXUWFJFHSA-N 0 0 383.463 4.133 40 0 GIABRN COC(=O)CSc1nc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)n2n1 ZINC000013637419 206986319 /nfs/dbraw/zinc/98/63/19/206986319.db2.gz CUTPRNLWFLRWEQ-UHFFFAOYSA-N 0 0 390.468 4.032 40 0 GIABRN CCc1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3)n2C)cc1 ZINC000013849620 207002922 /nfs/dbraw/zinc/00/29/22/207002922.db2.gz WKYMPHRHRWSUKE-HNNXBMFYSA-N 0 0 396.516 4.248 40 0 GIABRN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000014704054 207026272 /nfs/dbraw/zinc/02/62/72/207026272.db2.gz FMANEWUNDLFNRF-AWEZNQCLSA-N 0 0 398.846 4.269 40 0 GIABRN Cc1cccc(C(C)C)c1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014739544 207027951 /nfs/dbraw/zinc/02/79/51/207027951.db2.gz FCZZXYPUFJQHDX-UHFFFAOYSA-N 0 0 394.924 4.031 40 0 GIABRN CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc3c(c2)OCO3)nc2onc(C)c21 ZINC000036618388 207050890 /nfs/dbraw/zinc/05/08/90/207050890.db2.gz YVNMDHCFIMOMDB-OAHLLOKOSA-N 0 0 393.443 4.332 40 0 GIABRN COc1ccc(CCNC(=S)Nc2ccc(Br)cc2F)cc1 ZINC000016221424 207074212 /nfs/dbraw/zinc/07/42/12/207074212.db2.gz PLZXXZSRRUGWAC-UHFFFAOYSA-N 0 0 383.286 4.126 40 0 GIABRN CC1(C)CC(=O)[C@H]2C(c3ccc4c(c3)OCO4)[C@H]3C(=O)CC(C)(C)C[C@@H]3O[C@@H]2C1 ZINC000017141335 207086340 /nfs/dbraw/zinc/08/63/40/207086340.db2.gz VZSHNZIJGWRJFJ-WRBWDUGDSA-N 0 0 398.499 4.277 40 0 GIABRN COc1ccc([C@H]2[C@H]3CCC[C@H](C3=O)[C@@H](c3ccc(OC)cc3)N2N=O)cc1 ZINC000016953239 207079715 /nfs/dbraw/zinc/07/97/15/207079715.db2.gz QWNRHWNQHLYNSX-UJOPUZHASA-N 0 0 380.444 4.469 40 0 GIABRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1C ZINC000017078950 207084272 /nfs/dbraw/zinc/08/42/72/207084272.db2.gz WLOUGIHLDCDPFZ-UHFFFAOYSA-N 0 0 386.517 4.120 40 0 GIABRN CC(C)C(=O)N1CCC[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 ZINC000019085389 207102567 /nfs/dbraw/zinc/10/25/67/207102567.db2.gz BEGBJEGRBMMAAX-HSZRJFAPSA-N 0 0 398.572 4.311 40 0 GIABRN CC(C)(C)c1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccnc2)c(=O)[nH]1 ZINC000019084392 207103254 /nfs/dbraw/zinc/10/32/54/207103254.db2.gz LZQSMMCWVLSKGH-IBGZPJMESA-N 0 0 395.890 4.240 40 0 GIABRN COc1cc(CN[C@@H](c2ccc(C)cc2)c2cccnc2)cc2c1OCCO2 ZINC000019136778 207103812 /nfs/dbraw/zinc/10/38/12/207103812.db2.gz GAYKTLAZRUCFPO-QFIPXVFZSA-N 0 0 376.456 4.049 40 0 GIABRN Cc1ccc(OCCN(C)C(=O)c2cc(-c3ccncc3)c3cnccc3n2)cc1 ZINC000019211050 207106590 /nfs/dbraw/zinc/10/65/90/207106590.db2.gz APESLYUOGPZNBL-UHFFFAOYSA-N 0 0 398.466 4.151 40 0 GIABRN COc1ccc([C@H]2N[C@@H](c3ccc(C)cn3)Cc3cc(OC)c(OC)cc32)cc1 ZINC000019216081 207107367 /nfs/dbraw/zinc/10/73/67/207107367.db2.gz AXNZSHWNQJYVGA-ZJSXRUAMSA-N 0 0 390.483 4.392 40 0 GIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)c2ccc(C)nc2)cc1OC ZINC000019214956 207107987 /nfs/dbraw/zinc/10/79/87/207107987.db2.gz HXDSWIDFZHECAD-UBBRYJJRSA-N 0 0 380.488 4.109 40 0 GIABRN Cc1ccsc1C(=O)N1CCC(c2nc(C)c(-c3ccncn3)s2)CC1 ZINC000019238549 207111290 /nfs/dbraw/zinc/11/12/90/207111290.db2.gz QUCYZWUFBMFYJY-UHFFFAOYSA-N 0 0 384.530 4.298 40 0 GIABRN Cc1csc2ncc(C(=O)Nc3ccc(-c4cccc(F)c4)cc3)c(=O)n12 ZINC000019240374 207111569 /nfs/dbraw/zinc/11/15/69/207111569.db2.gz OTVGNVHEMANUMM-UHFFFAOYSA-N 0 0 379.416 4.123 40 0 GIABRN COc1ccc(-c2cc([C@H]3CCCCCN3Cc3cnn(C)c3)no2)cc1OC ZINC000019290701 207113174 /nfs/dbraw/zinc/11/31/74/207113174.db2.gz HIGQEQFGXRCZKO-LJQANCHMSA-N 0 0 396.491 4.210 40 0 GIABRN Cc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3c(F)cccc3F)CC2)n1 ZINC000019286901 207113185 /nfs/dbraw/zinc/11/31/85/207113185.db2.gz WCCFBDAAYRVCJJ-UHFFFAOYSA-N 0 0 394.425 4.145 40 0 GIABRN Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)c3ccccc3F)C2)n1 ZINC000019286848 207113994 /nfs/dbraw/zinc/11/39/94/207113994.db2.gz UPQPGYGREFISJH-QGZVFWFLSA-N 0 0 376.435 4.006 40 0 GIABRN O=C(C[C@H]1C=CCC1)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1 ZINC000019340481 207116503 /nfs/dbraw/zinc/11/65/03/207116503.db2.gz AOAWFYQWYJJQKE-KRWDZBQOSA-N 0 0 390.462 4.224 40 0 GIABRN O=C(NCCn1nc(-c2nccs2)cc1-c1cccs1)c1ccccc1F ZINC000019347768 207118260 /nfs/dbraw/zinc/11/82/60/207118260.db2.gz HEAONAPIYYXMRF-UHFFFAOYSA-N 0 0 398.488 4.304 40 0 GIABRN O=C(C1CC1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 ZINC000019373159 207119558 /nfs/dbraw/zinc/11/95/58/207119558.db2.gz JPLBNHUIWWRCJK-HXUWFJFHSA-N 0 0 385.471 4.356 40 0 GIABRN O=C(NCc1nnc(-c2cccs2)o1)C1c2ccccc2Oc2ccccc21 ZINC000019375087 207120361 /nfs/dbraw/zinc/12/03/61/207120361.db2.gz CGHKWHDRNZYVKN-UHFFFAOYSA-N 0 0 389.436 4.352 40 0 GIABRN Cn1ccnc1-c1nc(NC[C@]2(C)CCCO2)ncc1-c1cccc(Cl)c1 ZINC000019461262 207123753 /nfs/dbraw/zinc/12/37/53/207123753.db2.gz LSCMMWCUSWWXFG-FQEVSTJZSA-N 0 0 383.883 4.179 40 0 GIABRN COc1ccc([C@H](NC(=O)[C@@H](C)n2ccnc2C(C)C)c2ccccc2)cc1 ZINC000019454317 207123769 /nfs/dbraw/zinc/12/37/69/207123769.db2.gz MHLXAUJMUDUQIU-DYESRHJHSA-N 0 0 377.488 4.482 40 0 GIABRN CCCNC(=O)[C@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)CC)C1 ZINC000019503590 207126975 /nfs/dbraw/zinc/12/69/75/207126975.db2.gz KHQNRKJIKVGHGG-VWLOTQADSA-N 0 0 392.543 4.359 40 0 GIABRN CCc1cc(C(=O)N2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)no1 ZINC000019522619 207127389 /nfs/dbraw/zinc/12/73/89/207127389.db2.gz CZHGWRRWPAALIH-LLVKDONJSA-N 0 0 390.390 4.039 40 0 GIABRN CCC[C@H](C(=O)NCC1(c2cccc(C)c2)CCOCC1)n1nc(C)cc1C ZINC000019501821 207127532 /nfs/dbraw/zinc/12/75/32/207127532.db2.gz UAEQLWVWHACCTL-OAQYLSRUSA-N 0 0 383.536 4.014 40 0 GIABRN CCc1cccc2cc3c(nc21)OC(=O)N(CCc1ccc(OC)c(OC)c1)C3 ZINC000019523033 207129570 /nfs/dbraw/zinc/12/95/70/207129570.db2.gz PUBXPTOCELFEIG-UHFFFAOYSA-N 0 0 392.455 4.372 40 0 GIABRN CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)C2CCC2)C1 ZINC000019528844 207130491 /nfs/dbraw/zinc/13/04/91/207130491.db2.gz QRMRTDHXPNEUGB-HSZRJFAPSA-N 0 0 396.556 4.113 40 0 GIABRN CC(C)c1cc(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3Cc2ccccc2)on1 ZINC000019453013 207121070 /nfs/dbraw/zinc/12/10/70/207121070.db2.gz CIJBIWYGTUJJLQ-LJQANCHMSA-N 0 0 392.503 4.486 40 0 GIABRN COc1ccccc1[C@H](NC(=O)c1ccc(C(C)C)[nH]c1=O)c1ccccc1 ZINC000019453119 207121593 /nfs/dbraw/zinc/12/15/93/207121593.db2.gz MMYXCIIZOMWZLF-OAQYLSRUSA-N 0 0 376.456 4.026 40 0 GIABRN COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)c1c(F)cccc1F ZINC000019570939 207136575 /nfs/dbraw/zinc/13/65/75/207136575.db2.gz IKJQBFSPPKFLBM-SFHVURJKSA-N 0 0 397.425 4.026 40 0 GIABRN C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)C[C@@H]3C=CCC3)cc2N1 ZINC000019574694 207137444 /nfs/dbraw/zinc/13/74/44/207137444.db2.gz AUDNGWRQGZVVMW-RRCSTGOVSA-N 0 0 382.430 4.210 40 0 GIABRN Cc1nn(CCC(=O)Nc2ccccc2OC[C@H]2CCCCO2)c(C)c1Cl ZINC000019578257 207137543 /nfs/dbraw/zinc/13/75/43/207137543.db2.gz ROIXGTYSVNZKMZ-MRXNPFEDSA-N 0 0 391.899 4.130 40 0 GIABRN COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)c2cccnc2C)cc1OC ZINC000019582971 207139420 /nfs/dbraw/zinc/13/94/20/207139420.db2.gz PLDQHPZOMUYTMV-GPHNJDIKSA-N 0 0 380.488 4.109 40 0 GIABRN Cc1nn(C)cc1CN1CCCCC[C@@H]1c1cc(-c2ccc3c(c2)OCO3)on1 ZINC000019583863 207139622 /nfs/dbraw/zinc/13/96/22/207139622.db2.gz JOSVQNJRNSYOSN-LJQANCHMSA-N 0 0 394.475 4.230 40 0 GIABRN COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NC(=O)c2cccnc2C)cc1OC ZINC000019582976 207139805 /nfs/dbraw/zinc/13/98/05/207139805.db2.gz PLDQHPZOMUYTMV-UDKICSLYSA-N 0 0 380.488 4.109 40 0 GIABRN COc1ccc(CN2CCCC[C@@H]2c2[nH]ncc2-c2onc(C)c2C)cc1OC ZINC000019557935 207132710 /nfs/dbraw/zinc/13/27/10/207132710.db2.gz FYAWMAFCFFDIMY-GOSISDBHSA-N 0 0 396.491 4.426 40 0 GIABRN Cc1nn(C[C@H](C)C(=O)Nc2ncc(Cc3ccccc3F)s2)c(C)c1C ZINC000019557020 207133018 /nfs/dbraw/zinc/13/30/18/207133018.db2.gz NXRLWBREPGIVDT-LBPRGKRZSA-N 0 0 386.496 4.270 40 0 GIABRN Cc1c(-c2cc(C(=O)Nc3cccc(-c4cccc(F)c4)c3)on2)cnn1C ZINC000019554258 207133326 /nfs/dbraw/zinc/13/33/26/207133326.db2.gz FVPYOSPNLJQYDX-UHFFFAOYSA-N 0 0 376.391 4.442 40 0 GIABRN COc1ccc(CCC2CCN(C(=O)c3ccc4c(c3)ncn4C)CC2)cc1 ZINC000019665886 207147560 /nfs/dbraw/zinc/14/75/60/207147560.db2.gz WYXKAKCZLRVBEP-UHFFFAOYSA-N 0 0 377.488 4.067 40 0 GIABRN Cn1cc(-c2ccc([C@@H]3CCCN3C(=O)CCc3c[nH]c4ccccc34)nc2)cn1 ZINC000019688789 207148337 /nfs/dbraw/zinc/14/83/37/207148337.db2.gz GALVOSWLPWSTOZ-QHCPKHFHSA-N 0 0 399.498 4.260 40 0 GIABRN Cc1onc(-c2cccnc2)c1C(=O)N[C@H](Cc1ccsc1)c1nccs1 ZINC000019579712 207140364 /nfs/dbraw/zinc/14/03/64/207140364.db2.gz LQXGRJDPLIAKKB-OAHLLOKOSA-N 0 0 396.497 4.277 40 0 GIABRN O=C(Nc1ccc(OCc2ccccc2F)cc1)c1ccc(-n2cnnc2)cc1 ZINC000019659356 207144858 /nfs/dbraw/zinc/14/48/58/207144858.db2.gz SDORPQSLNCWCPK-UHFFFAOYSA-N 0 0 388.402 4.238 40 0 GIABRN CNc1nc(C)c(C(=O)Nc2ccc3c(c2)CN(Cc2ccccc2)C3)s1 ZINC000019656599 207145502 /nfs/dbraw/zinc/14/55/02/207145502.db2.gz YNUGPQYTZYTQQQ-UHFFFAOYSA-N 0 0 378.501 4.261 40 0 GIABRN CCOc1ccccc1-c1nnc(NC(=O)c2cn3cc(Cl)ccc3n2)s1 ZINC000019660906 207146527 /nfs/dbraw/zinc/14/65/27/207146527.db2.gz DJKWRBGMTMKBSF-UHFFFAOYSA-N 0 0 399.863 4.157 40 0 GIABRN CCn1nc(C(=O)Nc2ccccc2-c2ccc(OC)cc2)c2ccccc2c1=O ZINC000019660540 207146787 /nfs/dbraw/zinc/14/67/87/207146787.db2.gz PRDOHOMLBOYFHK-UHFFFAOYSA-N 0 0 399.450 4.344 40 0 GIABRN CNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)C(C)C)CC1 ZINC000019700038 207150952 /nfs/dbraw/zinc/15/09/52/207150952.db2.gz XEZWTCPDTYXQBB-UHFFFAOYSA-N 0 0 392.543 4.215 40 0 GIABRN Cc1[nH]c2c(c1CC(=O)N1CCC(Cn3ccnc3C)CC1)c(C)ccc2C ZINC000019716814 207153301 /nfs/dbraw/zinc/15/33/01/207153301.db2.gz RMCNUDIHNNTUNL-UHFFFAOYSA-N 0 0 378.520 4.079 40 0 GIABRN CC(C)c1csc(NC(=O)c2cc(-c3ccn(C)n3)nc3ccccc32)n1 ZINC000019716382 207154590 /nfs/dbraw/zinc/15/45/90/207154590.db2.gz RBICOABDDRFYTN-UHFFFAOYSA-N 0 0 377.473 4.468 40 0 GIABRN Cc1ccc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4F)c3)n[nH]2)cc1 ZINC000019718241 207155949 /nfs/dbraw/zinc/15/59/49/207155949.db2.gz QODSOXDNHBVHCA-UHFFFAOYSA-N 0 0 375.407 4.021 40 0 GIABRN O=C(c1ccccc1)N1CCC([C@H]2CCCCN(Cc3ccccc3)C2=O)CC1 ZINC000019744858 207158053 /nfs/dbraw/zinc/15/80/53/207158053.db2.gz UPGBKCDWJKTOMY-HSZRJFAPSA-N 0 0 390.527 4.368 40 0 GIABRN COc1ccccc1[C@@H]1CC(=O)c2cn3nc(SCCC(C)C)nc3nc2C1 ZINC000019816470 207163619 /nfs/dbraw/zinc/16/36/19/207163619.db2.gz YPBWWUSVHWCIBV-AWEZNQCLSA-N 0 0 396.516 4.184 40 0 GIABRN Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)nnc2c(-c3ccccc3)cnn21 ZINC000019816995 207165083 /nfs/dbraw/zinc/16/50/83/207165083.db2.gz JVKZMDHNMXXEHM-UHFFFAOYSA-N 0 0 397.360 4.371 40 0 GIABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000020038954 207174716 /nfs/dbraw/zinc/17/47/16/207174716.db2.gz XYRRQURKBNJUGQ-UHFFFAOYSA-N 0 0 393.679 4.271 40 0 GIABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000020048476 207175946 /nfs/dbraw/zinc/17/59/46/207175946.db2.gz KQXPRHQJTPBCKS-QFIPXVFZSA-N 0 0 380.532 4.426 40 0 GIABRN Cc1cc(O[C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)cc(C)c1Cl ZINC000020049590 207176115 /nfs/dbraw/zinc/17/61/15/207176115.db2.gz KMKLSQAHOANTEY-OAHLLOKOSA-N 0 0 386.879 4.490 40 0 GIABRN CCOc1ccc(CCC(=O)NCCSCc2ccco2)cc1OCC ZINC000020111971 207178852 /nfs/dbraw/zinc/17/88/52/207178852.db2.gz AFYLIYRPNFHWLL-UHFFFAOYSA-N 0 0 377.506 4.059 40 0 GIABRN CCc1ccc(OCC(=O)N[C@H](C)c2ccc(OC)cc2)c(Br)c1 ZINC000019934116 207171787 /nfs/dbraw/zinc/17/17/87/207171787.db2.gz BZJNGTVAPBMELK-CYBMUJFWSA-N 0 0 392.293 4.276 40 0 GIABRN CCCCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000019931436 207171828 /nfs/dbraw/zinc/17/18/28/207171828.db2.gz RZSIBPDJBBRNAB-UHFFFAOYSA-N 0 0 380.897 4.061 40 0 GIABRN Cc1nn2c(ncc3c2ccn(-c2ccncc2)c3=O)c1-c1cccc(Cl)c1 ZINC000019962580 207173682 /nfs/dbraw/zinc/17/36/82/207173682.db2.gz KDIDLHIAVVAALP-UHFFFAOYSA-N 0 0 387.830 4.057 40 0 GIABRN Cc1ccc(Cl)cc1-n1ccc2nc3ncnn3c(-c3ccccc3)c2c1=O ZINC000019960240 207173734 /nfs/dbraw/zinc/17/37/34/207173734.db2.gz WDUDMFRVAVHBIX-UHFFFAOYSA-N 0 0 387.830 4.057 40 0 GIABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000020040664 207174608 /nfs/dbraw/zinc/17/46/08/207174608.db2.gz KVSLQWWMDXXFBT-FQEVSTJZSA-N 0 0 390.886 4.294 40 0 GIABRN CC(=O)Nc1sc2c(c1[C@@H](c1cccc(F)c1)N1CCOCC1)CCCC2 ZINC000020192268 207181548 /nfs/dbraw/zinc/18/15/48/207181548.db2.gz WWTVGIDTKWAUNX-HXUWFJFHSA-N 0 0 388.508 4.146 40 0 GIABRN CCOc1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)n[nH]2)cc1Cl ZINC000020177148 207181729 /nfs/dbraw/zinc/18/17/29/207181729.db2.gz GYDISJASZXBBKQ-UHFFFAOYSA-N 0 0 399.882 4.104 40 0 GIABRN CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000020111789 207179569 /nfs/dbraw/zinc/17/95/69/207179569.db2.gz BUVVWUPKHJSIAW-UHFFFAOYSA-N 0 0 397.452 4.456 40 0 GIABRN NC(=O)c1ccccc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000020485516 207197493 /nfs/dbraw/zinc/19/74/93/207197493.db2.gz MSHHBZJFEUOJCE-UHFFFAOYSA-N 0 0 392.480 4.209 40 0 GIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000020493519 207198800 /nfs/dbraw/zinc/19/88/00/207198800.db2.gz YCDAKRUCVRFNQW-XJKSGUPXSA-N 0 0 377.868 4.392 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000020450850 207192472 /nfs/dbraw/zinc/19/24/72/207192472.db2.gz OEZJTSIOSBPXQV-OAQYLSRUSA-N 0 0 386.923 4.463 40 0 GIABRN Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CCCC1=O ZINC000020451667 207193816 /nfs/dbraw/zinc/19/38/16/207193816.db2.gz IQOLWCKEOVZOGA-UHFFFAOYSA-N 0 0 399.299 4.229 40 0 GIABRN CN(C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)C1CCCC1 ZINC000020459946 207194429 /nfs/dbraw/zinc/19/44/29/207194429.db2.gz JJCKQFZIENENDW-UHFFFAOYSA-N 0 0 392.908 4.155 40 0 GIABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000020459546 207195495 /nfs/dbraw/zinc/19/54/95/207195495.db2.gz ANNXCWSEYGQAMD-QGZVFWFLSA-N 0 0 389.908 4.040 40 0 GIABRN CCCCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020482153 207196510 /nfs/dbraw/zinc/19/65/10/207196510.db2.gz IRVNUBRTOUJPEI-UHFFFAOYSA-N 0 0 380.897 4.061 40 0 GIABRN CCCCN1c2nc3ccccc3n2[C@H](c2cccs2)[C@@H](C(=O)OCC)C1=O ZINC000020638256 207209008 /nfs/dbraw/zinc/20/90/08/207209008.db2.gz PHISWMAAZANMPA-QZTJIDSGSA-N 0 0 397.500 4.013 40 0 GIABRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(F)cc4)cc3n2)cc1Cl ZINC000020610724 207206941 /nfs/dbraw/zinc/20/69/41/207206941.db2.gz LTHNUCFERDKKKG-UHFFFAOYSA-N 0 0 396.809 4.474 40 0 GIABRN CCCc1nnc2sc(-c3cccc(NC(=O)c4ccccc4OC)c3)nn12 ZINC000020609635 207208092 /nfs/dbraw/zinc/20/80/92/207208092.db2.gz BKHQNFHLLIOZPT-UHFFFAOYSA-N 0 0 393.472 4.066 40 0 GIABRN Cc1cccc([C@H]2CC(=O)c3cn4nc(SCCC(C)C)nc4nc3C2)c1 ZINC000020796145 207214700 /nfs/dbraw/zinc/21/47/00/207214700.db2.gz WCRHRNOPEXSDKS-MRXNPFEDSA-N 0 0 380.517 4.484 40 0 GIABRN CCn1cc(C(=O)N[C@@H](C)c2ccccc2OC)c(=O)c2cc(Cl)ccc21 ZINC000022235028 207249235 /nfs/dbraw/zinc/24/92/35/207249235.db2.gz IFUVFDSUOHGXAD-ZDUSSCGKSA-N 0 0 384.863 4.174 40 0 GIABRN CC(=O)Nc1ccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1 ZINC000022409281 207253976 /nfs/dbraw/zinc/25/39/76/207253976.db2.gz VYANJSOHOXAYRE-UHFFFAOYSA-N 0 0 392.459 4.390 40 0 GIABRN CCCCCNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000022516831 207254631 /nfs/dbraw/zinc/25/46/31/207254631.db2.gz CHZGAJRZJVGHDN-UHFFFAOYSA-N 0 0 380.897 4.061 40 0 GIABRN COc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1 ZINC000022527321 207256169 /nfs/dbraw/zinc/25/61/69/207256169.db2.gz UJJUKVYJICDEPS-KBPBESRZSA-N 0 0 375.490 4.070 40 0 GIABRN CCOc1ccc([C@H](C)NC(=O)C2(c3ccccc3)CCOCC2)cc1OCC ZINC000025869189 207306768 /nfs/dbraw/zinc/30/67/68/207306768.db2.gz XXLPHUGMAWXWKB-SFHVURJKSA-N 0 0 397.515 4.410 40 0 GIABRN COc1cc(CNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc(OC)c1OC ZINC000026093404 207308306 /nfs/dbraw/zinc/30/83/06/207308306.db2.gz LNBJASBCKHHKNF-FMIVXFBMSA-N 0 0 383.488 4.340 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)c1 ZINC000028218524 207336693 /nfs/dbraw/zinc/33/66/93/207336693.db2.gz ZSXJZSLJBARSIR-AWEZNQCLSA-N 0 0 385.851 4.124 40 0 GIABRN C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCCNc2ccc(C(F)(F)F)cn2)o1 ZINC000040080771 207338229 /nfs/dbraw/zinc/33/82/29/207338229.db2.gz SAFANHMHZUUXOU-NEORSZAFSA-N 0 0 379.382 4.058 40 0 GIABRN O=C(OCC1c2ccccc2-c2ccccc21)N1CCc2ncnc(Cl)c2C1 ZINC000030678398 207373092 /nfs/dbraw/zinc/37/30/92/207373092.db2.gz LKMQJBUAKFFRHD-UHFFFAOYSA-N 0 0 391.858 4.437 40 0 GIABRN O=C(c1ccccc1)[C@@H]([C@H](Nc1ccccc1)c1ccccc1)N1CCOCC1 ZINC000031962141 207388021 /nfs/dbraw/zinc/38/80/21/207388021.db2.gz MCYZFIBTHIHJGW-DNQXCXABSA-N 0 0 386.495 4.424 40 0 GIABRN COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1Cl ZINC000032125214 207394299 /nfs/dbraw/zinc/39/42/99/207394299.db2.gz WJJDGDWXIYFXQL-UHFFFAOYSA-N 0 0 378.881 4.030 40 0 GIABRN COc1cc(OC)cc(C(=O)N[C@@H](c2cccnc2)c2ccc(C)c(C)c2)c1 ZINC000072242830 207990734 /nfs/dbraw/zinc/99/07/34/207990734.db2.gz QYWQGGCQTBPYEA-JOCHJYFZSA-N 0 0 376.456 4.235 40 0 GIABRN COc1ccc(CNc2ncc(-c3cc(C)no3)c(-c3ccc(C)nc3)n2)cc1 ZINC000072337266 207998572 /nfs/dbraw/zinc/99/85/72/207998572.db2.gz ZLKABSUVNRVAEX-UHFFFAOYSA-N 0 0 387.443 4.431 40 0 GIABRN Fc1cccc(CCNc2ncc(-c3cnccn3)c(-c3cccs3)n2)c1 ZINC000072338756 207998786 /nfs/dbraw/zinc/99/87/86/207998786.db2.gz JLDBJBWIWPUFPI-UHFFFAOYSA-N 0 0 377.448 4.456 40 0 GIABRN Cc1cccc(-c2cncc([C@H]3CCCN(C(=O)COc4ccccc4)C3)n2)c1 ZINC000072359473 208002223 /nfs/dbraw/zinc/00/22/23/208002223.db2.gz MLCDSKMGFLJLQS-FQEVSTJZSA-N 0 0 387.483 4.237 40 0 GIABRN CCn1ccnc1CN1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072359138 208002792 /nfs/dbraw/zinc/00/27/92/208002792.db2.gz QUWVAQQXKPNLFM-QGZVFWFLSA-N 0 0 381.911 4.393 40 0 GIABRN O=C(Cc1ccc(F)cc1)N1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 ZINC000072359634 208002822 /nfs/dbraw/zinc/00/28/22/208002822.db2.gz KNLSQIRWXLYCRW-UHFFFAOYSA-N 0 0 393.437 4.371 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)s1 ZINC000072362521 208002844 /nfs/dbraw/zinc/00/28/44/208002844.db2.gz NPECMZAXSBWWHC-MRXNPFEDSA-N 0 0 394.500 4.362 40 0 GIABRN Cc1nc(C(=O)N2CCC[C@H](c3nccnc3Oc3ccc(Cl)cc3)C2)co1 ZINC000072363268 208006188 /nfs/dbraw/zinc/00/61/88/208006188.db2.gz HVTPTZNKDDCNMV-AWEZNQCLSA-N 0 0 398.850 4.239 40 0 GIABRN Nc1ncc(-c2ccccc2F)c([C@@H]2CCCCN2C(=O)Cc2ccccc2)n1 ZINC000072376890 208009229 /nfs/dbraw/zinc/00/92/29/208009229.db2.gz NRNYUZAHFNVIML-FQEVSTJZSA-N 0 0 390.462 4.161 40 0 GIABRN Cc1ccc(Nc2nccc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)n2)nc1 ZINC000072377670 208010487 /nfs/dbraw/zinc/01/04/87/208010487.db2.gz BMYNEWXXOVXBKE-GOSISDBHSA-N 0 0 379.508 4.210 40 0 GIABRN Cc1cc(-c2cncnc2)cc(C2CCN(C(=O)CCc3ccccc3)CC2)n1 ZINC000072380118 208011728 /nfs/dbraw/zinc/01/17/28/208011728.db2.gz SIWGHAJYNXBUIU-UHFFFAOYSA-N 0 0 386.499 4.186 40 0 GIABRN Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)CCc2ccc(F)cc2)n1 ZINC000072378827 208012937 /nfs/dbraw/zinc/01/29/37/208012937.db2.gz MXVACAVAAKPFMK-HXUWFJFHSA-N 0 0 378.451 4.011 40 0 GIABRN Cc1ccc(C(=O)N2CCCN3C(=O)c4ccccc4[C@@]32c2ccccc2)cc1 ZINC000015081031 208035491 /nfs/dbraw/zinc/03/54/91/208035491.db2.gz SYZYWVRLLYEUFN-RUZDIDTESA-N 0 0 382.463 4.198 40 0 GIABRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1O ZINC000015008631 208036136 /nfs/dbraw/zinc/03/61/36/208036136.db2.gz UHMZQPYQJDSIFV-CXUHLZMHSA-N 0 0 375.833 4.291 40 0 GIABRN O=S(=O)(c1ccc2c(c1)CCN2)N(Cc1ccccc1)Cc1ccccc1 ZINC000078403687 208064692 /nfs/dbraw/zinc/06/46/92/208064692.db2.gz ILPFUQARTFBYDJ-UHFFFAOYSA-N 0 0 378.497 4.046 40 0 GIABRN COc1ccc(O[C@@H](C)C(=O)NCCSCc2ccccc2Cl)cc1 ZINC000408705616 533025298 /nfs/dbraw/zinc/02/52/98/533025298.db2.gz KBDUMYGYQOSQOH-AWEZNQCLSA-N 0 0 379.909 4.166 40 0 GIABRN CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000083263649 208084274 /nfs/dbraw/zinc/08/42/74/208084274.db2.gz JCCWWMMCQFEUMW-UHFFFAOYSA-N 0 0 394.320 4.167 40 0 GIABRN CC(C)n1cnc2c1[C@@H](C(=O)Nc1ccc(F)cc1)N(Cc1ccccc1)CC2 ZINC000096147225 208273690 /nfs/dbraw/zinc/27/36/90/208273690.db2.gz OPLHRTQKVKTDLI-QFIPXVFZSA-N 0 0 392.478 4.341 40 0 GIABRN O=C(NCc1ccncc1)c1ccn(-c2ccc3ccc(-c4ccccc4)cn32)n1 ZINC000096155322 208278340 /nfs/dbraw/zinc/27/83/40/208278340.db2.gz VKZGYPVRXUTTSQ-UHFFFAOYSA-N 0 0 393.450 4.117 40 0 GIABRN CC[C@H](CO)NC(=O)c1cnc(-c2noc3cc(-c4ccccc4)ccc32)s1 ZINC000096154528 208279273 /nfs/dbraw/zinc/27/92/73/208279273.db2.gz QZKLENQBDBCAAM-OAHLLOKOSA-N 0 0 393.468 4.119 40 0 GIABRN Cc1ccc(NC(=O)c2ccnn2-c2ccc3ccc(-c4cccnc4)cn32)cn1 ZINC000096037986 208256084 /nfs/dbraw/zinc/25/60/84/208256084.db2.gz PPISTQLWXJRPLK-UHFFFAOYSA-N 0 0 394.438 4.143 40 0 GIABRN COc1ccc(S(=O)(=O)N(Cc2ccc(C)cc2)c2ccccc2OC)cc1 ZINC000408623123 533041521 /nfs/dbraw/zinc/04/15/21/533041521.db2.gz DAHHUXYRTYXVMT-UHFFFAOYSA-N 0 0 397.496 4.408 40 0 GIABRN CCc1cccc(NC(=O)N2CC[C@]3(C[C@@H]3C(=O)Nc3cccc(F)c3)C2)c1 ZINC000096227278 208288068 /nfs/dbraw/zinc/28/80/68/208288068.db2.gz PGDJIFZZRJJXMP-KNQAVFIVSA-N 0 0 381.451 4.271 40 0 GIABRN Cc1ccc(CSCC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 ZINC000096235934 208290015 /nfs/dbraw/zinc/29/00/15/208290015.db2.gz IDYYKRZGZBQEBA-UHFFFAOYSA-N 0 0 381.501 4.245 40 0 GIABRN CC(C)CC(=O)N1CCC2(CC1)C[C@H](CC(=O)NC1CCC1)c1ccccc1O2 ZINC000096243153 208292242 /nfs/dbraw/zinc/29/22/42/208292242.db2.gz XQHZSTGISWELCB-SFHVURJKSA-N 0 0 398.547 4.019 40 0 GIABRN CC(C)CC(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC1CCC1)c1ccccc1O2 ZINC000096243154 208292934 /nfs/dbraw/zinc/29/29/34/208292934.db2.gz XQHZSTGISWELCB-GOSISDBHSA-N 0 0 398.547 4.019 40 0 GIABRN CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)C3CCC3)CC2)c2ccccc21 ZINC000096242353 208293430 /nfs/dbraw/zinc/29/34/30/208293430.db2.gz QLOMNPJZLZANOX-LJQANCHMSA-N 0 0 382.548 4.093 40 0 GIABRN CC(C)Nc1nc(-c2cccc(F)c2)nc2c1CN(Cc1ccncc1)CC2 ZINC000096254322 208295188 /nfs/dbraw/zinc/29/51/88/208295188.db2.gz LVIYNYSNDYMTFM-UHFFFAOYSA-N 0 0 377.467 4.056 40 0 GIABRN CC[C@@H](CO)NC(=O)c1cc(-c2csc(-c3ccccc3)n2)n2ccccc12 ZINC000096266769 208298205 /nfs/dbraw/zinc/29/82/05/208298205.db2.gz SCZQVQFXISQDBV-INIZCTEOSA-N 0 0 391.496 4.231 40 0 GIABRN O=C(NCc1ccco1)c1cnc(-c2noc3cc(N4CCCC4)ccc32)s1 ZINC000096266588 208298901 /nfs/dbraw/zinc/29/89/01/208298901.db2.gz OCOGLFXQOFDJOV-UHFFFAOYSA-N 0 0 394.456 4.075 40 0 GIABRN Cc1ccccc1[C@H]1c2c(O)n(-c3ccccc3)c(O)c2ON1c1ccccc1 ZINC000096791729 208322175 /nfs/dbraw/zinc/32/21/75/208322175.db2.gz JEELBLXZKKKFJU-FKBYEOEOSA-N 0 0 384.435 4.046 40 0 GIABRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4C)[C@@H]3C2=O)cc1 ZINC000097954477 208364070 /nfs/dbraw/zinc/36/40/70/208364070.db2.gz NTWYOLBMNRGCRN-ZRBLBEILSA-N 0 0 398.462 4.355 40 0 GIABRN C[C@H]1CC[C@@H]2C(=O)N(c3cc(Cl)ccc3OC(=O)c3ccco3)C(=O)[C@@H]2C1 ZINC000100478320 208376663 /nfs/dbraw/zinc/37/66/63/208376663.db2.gz BHABKFZVSPMSAA-FPMFFAJLSA-N 0 0 387.819 4.078 40 0 GIABRN Cc1c(-c2cccc(Cl)c2)nn2c1[nH]c([C@H]1CC(=O)N(CC(C)C)C1)cc2=O ZINC000100732966 208379167 /nfs/dbraw/zinc/37/91/67/208379167.db2.gz WGYILYNLXAXCCJ-HNNXBMFYSA-N 0 0 398.894 4.036 40 0 GIABRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4cccs4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000100799230 208380243 /nfs/dbraw/zinc/38/02/43/208380243.db2.gz QKTVQSXOOWUXFK-AABGKKOBSA-N 0 0 390.464 4.108 40 0 GIABRN Cc1ccnn1C[C@@H](C)c1cc(=O)n2nc(-c3cccc(Cl)c3)c(C)c2[nH]1 ZINC000100775517 208381021 /nfs/dbraw/zinc/38/10/21/208381021.db2.gz LPQHGSRVHJZOEL-GFCCVEGCSA-N 0 0 381.867 4.372 40 0 GIABRN C[C@H](Oc1cccc(N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)c1)C(=O)c1ccccc1 ZINC000100838882 208382895 /nfs/dbraw/zinc/38/28/95/208382895.db2.gz VSUVSGHYAZPWNA-VAKZPMALSA-N 0 0 391.467 4.262 40 0 GIABRN O=C(Nc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1Cl)c1ccccc1 ZINC000100100608 208371812 /nfs/dbraw/zinc/37/18/12/208371812.db2.gz FVUYXMKSDYBOLV-HOTGVXAUSA-N 0 0 380.831 4.048 40 0 GIABRN C[C@H]1CC[C@H](C(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)CC1 ZINC000100220110 208373751 /nfs/dbraw/zinc/37/37/51/208373751.db2.gz QFCQEGSFLHVQFX-MAEOIBBWSA-N 0 0 397.567 4.472 40 0 GIABRN O=C(NCCc1ccccc1)/C(=C/C=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000100433734 208375681 /nfs/dbraw/zinc/37/56/81/208375681.db2.gz SFGKRTWADRWEHM-WALHGOOASA-N 0 0 396.490 4.373 40 0 GIABRN O=C(CCc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000128160566 208474267 /nfs/dbraw/zinc/47/42/67/208474267.db2.gz XRECBMSMDWSDGB-UHFFFAOYSA-N 0 0 393.874 4.236 40 0 GIABRN CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1C ZINC000000886946 208485371 /nfs/dbraw/zinc/48/53/71/208485371.db2.gz ALSKRVXUMHQYIC-UHFFFAOYSA-N 0 0 395.532 4.258 40 0 GIABRN O=C(Cc1cccs1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000001363658 208495153 /nfs/dbraw/zinc/49/51/53/208495153.db2.gz GCSZXCMDXWSXEK-AWEZNQCLSA-N 0 0 387.892 4.400 40 0 GIABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)C(F)(F)F)C2CC2)s1 ZINC000001365925 208495366 /nfs/dbraw/zinc/49/53/66/208495366.db2.gz DKNJJTLHTWTBIJ-OAHLLOKOSA-N 0 0 388.455 4.100 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1NC(=O)c1ccccc1 ZINC000408552920 533072523 /nfs/dbraw/zinc/07/25/23/533072523.db2.gz SIQMYLFZGRJBHO-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN COc1ccc2cc(CN(C(=O)c3cccc(F)c3)C3CCCC3)c(=O)[nH]c2c1 ZINC000004231074 208539083 /nfs/dbraw/zinc/53/90/83/208539083.db2.gz LETWUSFMWWEUPG-UHFFFAOYSA-N 0 0 394.446 4.261 40 0 GIABRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C ZINC000004563490 208545369 /nfs/dbraw/zinc/54/53/69/208545369.db2.gz YLZJGRAEIOZXIE-ZENOOKHLSA-N 0 0 392.956 4.169 40 0 GIABRN Clc1ccccc1Cn1nnc2c1ncnc2NC12CC3CC(CC(C3)C1)C2 ZINC000004966648 208547259 /nfs/dbraw/zinc/54/72/59/208547259.db2.gz GUWNDESTMFXUCA-UHFFFAOYSA-N 0 0 394.910 4.304 40 0 GIABRN COc1cccc(C=O)c1OCCCSc1nnc(Cc2ccccc2)o1 ZINC000015422800 208792641 /nfs/dbraw/zinc/79/26/41/208792641.db2.gz JLKSYAGSUPYANU-UHFFFAOYSA-N 0 0 384.457 4.043 40 0 GIABRN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccccc2I)c1 ZINC000013668998 208784824 /nfs/dbraw/zinc/78/48/24/208784824.db2.gz TVPYVHRSJHEKFY-CYBMUJFWSA-N 0 0 379.241 4.399 40 0 GIABRN CCOc1ccc(OCC)c2nc3c(cc12)CN(Cc1ccccc1)CCO3 ZINC000013563740 208785001 /nfs/dbraw/zinc/78/50/01/208785001.db2.gz PKLGRWWVIRRTFE-UHFFFAOYSA-N 0 0 378.472 4.427 40 0 GIABRN COc1ccc(CCCNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1OC ZINC000219301990 208844155 /nfs/dbraw/zinc/84/41/55/208844155.db2.gz MVJZUQPUTBVUDT-SFHVURJKSA-N 0 0 385.504 4.145 40 0 GIABRN CCc1ccccc1O[C@H](C)C(=O)N(CC)Cc1nc(-c2cccs2)no1 ZINC000219297444 208844311 /nfs/dbraw/zinc/84/43/11/208844311.db2.gz VNVAZFUXOFKXNW-CQSZACIVSA-N 0 0 385.489 4.177 40 0 GIABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)c1 ZINC000219304147 208844366 /nfs/dbraw/zinc/84/43/66/208844366.db2.gz OTASGUIQWJJXCR-HNNXBMFYSA-N 0 0 399.878 4.399 40 0 GIABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000219293284 208844914 /nfs/dbraw/zinc/84/49/14/208844914.db2.gz FTRRSCZFGNFJSR-LLVKDONJSA-N 0 0 392.242 4.127 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1cccc(C)c1C ZINC000219310520 208845024 /nfs/dbraw/zinc/84/50/24/208845024.db2.gz DAEKQYWVEMMLDP-APWZRJJASA-N 0 0 383.488 4.498 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccc(F)cc1 ZINC000219262717 208845199 /nfs/dbraw/zinc/84/51/99/208845199.db2.gz RKWWFVIFEHEFBX-SFHVURJKSA-N 0 0 389.492 4.486 40 0 GIABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000219329200 208846363 /nfs/dbraw/zinc/84/63/63/208846363.db2.gz KEOIGGWGOUKPTD-SFHVURJKSA-N 0 0 383.423 4.000 40 0 GIABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000219330254 208846393 /nfs/dbraw/zinc/84/63/93/208846393.db2.gz IKJLKCAETDZORI-FQEVSTJZSA-N 0 0 385.504 4.227 40 0 GIABRN COc1cc(CNC(=O)[C@@H](C)Oc2ccccc2Cl)ccc1OC(C)C ZINC000219052884 208841713 /nfs/dbraw/zinc/84/17/13/208841713.db2.gz KGZMHWHPDVDARM-CQSZACIVSA-N 0 0 377.868 4.220 40 0 GIABRN CC(C)Oc1ccccc1C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000219747158 208851310 /nfs/dbraw/zinc/85/13/10/208851310.db2.gz VYJNJGBLPFPJKN-UHFFFAOYSA-N 0 0 385.851 4.449 40 0 GIABRN CC[C@@H](C)CNC(=O)c1nc(-c2ccn(Cc3cccnc3)c2)n2ccccc12 ZINC000306128483 209098886 /nfs/dbraw/zinc/09/88/86/209098886.db2.gz HBLBKDMRZGKPMT-QGZVFWFLSA-N 0 0 387.487 4.022 40 0 GIABRN CC[C@H](C(=O)Nc1ccc(C)c(C)c1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220529751 208861148 /nfs/dbraw/zinc/86/11/48/208861148.db2.gz DZNCUFKPJVMXJP-LJQANCHMSA-N 0 0 388.533 4.104 40 0 GIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1OC ZINC000222865480 208885026 /nfs/dbraw/zinc/88/50/26/208885026.db2.gz PSLDNXMBAVLQRG-LEWJYISDSA-N 0 0 392.528 4.263 40 0 GIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(Br)cs1 ZINC000222859586 208885486 /nfs/dbraw/zinc/88/54/86/208885486.db2.gz VLJNTBUROFNXIP-UONOGXRCSA-N 0 0 382.352 4.288 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222895392 208887456 /nfs/dbraw/zinc/88/74/56/208887456.db2.gz UDRGXKZUUXTRJS-QGZVFWFLSA-N 0 0 384.495 4.009 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222964963 208888819 /nfs/dbraw/zinc/88/88/19/208888819.db2.gz VABGVHGJCYHPFY-GOSISDBHSA-N 0 0 393.314 4.089 40 0 GIABRN Cc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)cc1C ZINC000223099000 208892760 /nfs/dbraw/zinc/89/27/60/208892760.db2.gz GKJWZRTVVLLBGD-UHFFFAOYSA-N 0 0 397.272 4.189 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(C)c1 ZINC000223102430 208893044 /nfs/dbraw/zinc/89/30/44/208893044.db2.gz IBHCYTFXBWHMKY-NRFANRHFSA-N 0 0 398.572 4.090 40 0 GIABRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C ZINC000223200856 208894766 /nfs/dbraw/zinc/89/47/66/208894766.db2.gz YCFWQXLYGVIGTP-QFIPXVFZSA-N 0 0 398.522 4.194 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 ZINC000223134218 208894769 /nfs/dbraw/zinc/89/47/69/208894769.db2.gz CXTLTIPNNXIDSM-HXUWFJFHSA-N 0 0 380.532 4.180 40 0 GIABRN COc1ccc2c(c1)[C@@H](NC(=O)COc1cccc(Cl)c1)CC(C)(C)O2 ZINC000222771046 208884492 /nfs/dbraw/zinc/88/44/92/208884492.db2.gz WOHXXVZHHDIOQS-KRWDZBQOSA-N 0 0 375.852 4.146 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 ZINC000223595459 208905882 /nfs/dbraw/zinc/90/58/82/208905882.db2.gz CYQRCLOMVHZCIZ-GOSISDBHSA-N 0 0 384.545 4.031 40 0 GIABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccccc1C(C)(C)C ZINC000223700291 208908978 /nfs/dbraw/zinc/90/89/78/208908978.db2.gz LZAZOLCCYHXRJU-HXUWFJFHSA-N 0 0 385.504 4.345 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1C ZINC000223296591 208897209 /nfs/dbraw/zinc/89/72/09/208897209.db2.gz HZFKYOFRWIUODA-MRXNPFEDSA-N 0 0 391.533 4.484 40 0 GIABRN CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 ZINC000223304518 208898163 /nfs/dbraw/zinc/89/81/63/208898163.db2.gz ONXTVWDYMVAGTD-GOSISDBHSA-N 0 0 381.516 4.480 40 0 GIABRN CCC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223481035 208903582 /nfs/dbraw/zinc/90/35/82/208903582.db2.gz QQXVXEBLKQTDNU-DENIHFKCSA-N 0 0 380.532 4.260 40 0 GIABRN CCC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000224256449 208922322 /nfs/dbraw/zinc/92/23/22/208922322.db2.gz FGIIKOYYHRLSMP-NRFANRHFSA-N 0 0 380.532 4.260 40 0 GIABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000224244330 208922543 /nfs/dbraw/zinc/92/25/43/208922543.db2.gz NTDFWCYAICSXHO-KRWDZBQOSA-N 0 0 386.923 4.072 40 0 GIABRN CC(C)c1ccc(OCC(=O)NCCc2ccc(F)cc2)c(Br)c1 ZINC000224249620 208922593 /nfs/dbraw/zinc/92/25/93/208922593.db2.gz CUQWGSPBWYWWNT-UHFFFAOYSA-N 0 0 394.284 4.449 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000224237139 208922681 /nfs/dbraw/zinc/92/26/81/208922681.db2.gz BGKAKWRUSCBVNM-CQSZACIVSA-N 0 0 394.924 4.002 40 0 GIABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000224438278 208927019 /nfs/dbraw/zinc/92/70/19/208927019.db2.gz UTZAWJGPKRIOOG-ACJLOTCBSA-N 0 0 377.868 4.392 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCCc2cccc(OC(C)C)c2)cc1C ZINC000223877796 208912314 /nfs/dbraw/zinc/91/23/14/208912314.db2.gz ZNJRRGWADGKMIG-UHFFFAOYSA-N 0 0 391.533 4.010 40 0 GIABRN Cc1cnc(NC(=S)NCCCc2ccc(F)cc2)c(Br)c1 ZINC000223966148 208913677 /nfs/dbraw/zinc/91/36/77/208913677.db2.gz WWQUFFKDGHTQKB-UHFFFAOYSA-N 0 0 382.302 4.211 40 0 GIABRN COc1ccc2cc(S(=O)(=O)N[C@@H](C)COc3ccc(C)c(C)c3)ccc2c1 ZINC000223946760 208913959 /nfs/dbraw/zinc/91/39/59/208913959.db2.gz LVQKCKOVEBMDBD-KRWDZBQOSA-N 0 0 399.512 4.211 40 0 GIABRN Cc1c(Br)cnc(NC(=S)NCc2ccc(F)cc2)c1Cl ZINC000223946540 208914460 /nfs/dbraw/zinc/91/44/60/208914460.db2.gz ZYNUVAKNBDZJEU-UHFFFAOYSA-N 0 0 388.693 4.432 40 0 GIABRN Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)cc1 ZINC000223935366 208914523 /nfs/dbraw/zinc/91/45/23/208914523.db2.gz RJSCFJKFBLNDEC-UHFFFAOYSA-N 0 0 394.496 4.034 40 0 GIABRN CCOc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1 ZINC000224047252 208915946 /nfs/dbraw/zinc/91/59/46/208915946.db2.gz QRXXITUKMMBMQE-HKWRFOASSA-N 0 0 376.412 4.088 40 0 GIABRN CCCC[C@@H](CC)CNC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000224053729 208917284 /nfs/dbraw/zinc/91/72/84/208917284.db2.gz FIAALKYFLQQXJT-LJQANCHMSA-N 0 0 396.597 4.182 40 0 GIABRN Cc1ccc(OCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1C ZINC000224180183 208920208 /nfs/dbraw/zinc/92/02/08/208920208.db2.gz PQWZVIMVFKELDN-UHFFFAOYSA-N 0 0 388.316 4.109 40 0 GIABRN COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(C)cc1 ZINC000224198300 208921128 /nfs/dbraw/zinc/92/11/28/208921128.db2.gz RIGUMUCYSIKXIM-SFTDATJTSA-N 0 0 392.528 4.015 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CSc1ccccc1 ZINC000224517338 208928726 /nfs/dbraw/zinc/92/87/26/208928726.db2.gz YLXZJHQCKAJLPM-NRFANRHFSA-N 0 0 398.572 4.358 40 0 GIABRN Cc1ccc(NC(=O)COc2cccc3c2CCCC3)cc1N1CCCC1=O ZINC000224718125 208932735 /nfs/dbraw/zinc/93/27/35/208932735.db2.gz NDJYSVXHIXHMDL-UHFFFAOYSA-N 0 0 378.472 4.018 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224732795 208933212 /nfs/dbraw/zinc/93/32/12/208933212.db2.gz QASRNGHLBAJWTI-HXUWFJFHSA-N 0 0 392.543 4.404 40 0 GIABRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccs2)c1 ZINC000224827060 208934886 /nfs/dbraw/zinc/93/48/86/208934886.db2.gz FIALHFPOUIDEIE-OALUTQOASA-N 0 0 397.525 4.337 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000224994504 208938591 /nfs/dbraw/zinc/93/85/91/208938591.db2.gz NBUYNQBYCQVAKI-DLBZAZTESA-N 0 0 386.923 4.215 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 ZINC000225163216 208944021 /nfs/dbraw/zinc/94/40/21/208944021.db2.gz XAQGYVXHZAQOCZ-QFIPXVFZSA-N 0 0 380.532 4.180 40 0 GIABRN O=C(CSCc1c(Cl)cccc1Cl)NC[C@@H]1COc2ccccc2O1 ZINC000225238327 208945304 /nfs/dbraw/zinc/94/53/04/208945304.db2.gz ISQRVNQUWLWCAW-GFCCVEGCSA-N 0 0 398.311 4.183 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C ZINC000225238312 208945476 /nfs/dbraw/zinc/94/54/76/208945476.db2.gz OLBHHCXEONBNQA-RBUKOAKNSA-N 0 0 398.522 4.317 40 0 GIABRN COc1ccc(OC[C@H](C)NC(=S)Nc2ccc(Br)cc2)cc1 ZINC000225264445 208945770 /nfs/dbraw/zinc/94/57/70/208945770.db2.gz AABPWFNIPSZDPV-LBPRGKRZSA-N 0 0 395.322 4.212 40 0 GIABRN CC[C@H](C)CNC(=O)c1nc(-c2ccn(Cc3cccnc3)c2)n2ccccc12 ZINC000306128482 209099851 /nfs/dbraw/zinc/09/98/51/209099851.db2.gz HBLBKDMRZGKPMT-KRWDZBQOSA-N 0 0 387.487 4.022 40 0 GIABRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CC ZINC000225340971 208948510 /nfs/dbraw/zinc/94/85/10/208948510.db2.gz HGBAVUCDRYGIAE-QFIPXVFZSA-N 0 0 380.532 4.261 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000225442018 208951322 /nfs/dbraw/zinc/95/13/22/208951322.db2.gz MLMRIGYYZFZCTF-SFTDATJTSA-N 0 0 394.559 4.302 40 0 GIABRN O=C(NCc1cccnc1)c1ccccc1NC(=S)Nc1ccc(Cl)cc1 ZINC000225465199 208953970 /nfs/dbraw/zinc/95/39/70/208953970.db2.gz PUNLSDHRVOPDJN-UHFFFAOYSA-N 0 0 396.903 4.474 40 0 GIABRN Cc1ccccc1CN(C(=O)Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)C ZINC000225495704 208955084 /nfs/dbraw/zinc/95/50/84/208955084.db2.gz BHSCBXIVZKNOKD-KRWDZBQOSA-N 0 0 386.923 4.133 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)NCCCOC2CCCCC2)c1 ZINC000225617806 208963041 /nfs/dbraw/zinc/96/30/41/208963041.db2.gz YGLKGSNUVINTCS-UHFFFAOYSA-N 0 0 384.929 4.152 40 0 GIABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000225614342 208963172 /nfs/dbraw/zinc/96/31/72/208963172.db2.gz PLTDVZWJKTUIGF-QFIPXVFZSA-N 0 0 381.516 4.325 40 0 GIABRN COc1cc(C)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C(C)C ZINC000225657760 208966048 /nfs/dbraw/zinc/96/60/48/208966048.db2.gz LQNKFJWAOILKNU-UHFFFAOYSA-N 0 0 393.487 4.177 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)COc1ccccc1OC ZINC000225714664 208970016 /nfs/dbraw/zinc/97/00/16/208970016.db2.gz XKNFDRWHKDTTLM-DYESRHJHSA-N 0 0 397.515 4.315 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1F ZINC000225526760 208958334 /nfs/dbraw/zinc/95/83/34/208958334.db2.gz UXRKXSMGVFDYQI-XMSQKQJNSA-N 0 0 398.522 4.399 40 0 GIABRN Cc1ccccc1CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)C ZINC000225554778 208959827 /nfs/dbraw/zinc/95/98/27/208959827.db2.gz ZURYAUQTCUCXJY-KRWDZBQOSA-N 0 0 386.923 4.133 40 0 GIABRN CCOC(=O)c1cccc(NC(=O)COc2cccc(C(F)(F)F)c2)c1C ZINC000225811858 208978095 /nfs/dbraw/zinc/97/80/95/208978095.db2.gz QBXGLIJYFMKCQD-UHFFFAOYSA-N 0 0 381.350 4.208 40 0 GIABRN Fc1cccc(F)c1NC(=S)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000225820892 208979149 /nfs/dbraw/zinc/97/91/49/208979149.db2.gz MAZLOOMYMCRMAT-UHFFFAOYSA-N 0 0 380.807 4.155 40 0 GIABRN CCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OC)c2)CCCCC1 ZINC000225829578 208979553 /nfs/dbraw/zinc/97/95/53/208979553.db2.gz KPHXOCFDCDTEAU-HNNXBMFYSA-N 0 0 377.481 4.328 40 0 GIABRN CCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OC)c2)CCCCC1 ZINC000225829588 208979562 /nfs/dbraw/zinc/97/95/62/208979562.db2.gz KPHXOCFDCDTEAU-OAHLLOKOSA-N 0 0 377.481 4.328 40 0 GIABRN S=C(NCc1ccc(Cl)cc1)Nc1nc(Cl)cc(N2CCCCC2)n1 ZINC000225935975 208983372 /nfs/dbraw/zinc/98/33/72/208983372.db2.gz ZSAXMBRVJUGRLO-UHFFFAOYSA-N 0 0 396.347 4.260 40 0 GIABRN C[C@@H](NC(=S)Nc1nc(Cl)cc(N2CCCCC2)n1)c1ccccc1 ZINC000225963859 208985546 /nfs/dbraw/zinc/98/55/46/208985546.db2.gz ZPHHTNUVEOQPSR-CYBMUJFWSA-N 0 0 375.929 4.168 40 0 GIABRN S=C(Nc1nc(Oc2ccccc2)cc(N2CCCCC2)n1)NC1CCCC1 ZINC000226005549 208986827 /nfs/dbraw/zinc/98/68/27/208986827.db2.gz GSVYQBRAQAFUIQ-UHFFFAOYSA-N 0 0 397.548 4.488 40 0 GIABRN COc1ccc(OC)c(NC(=O)c2snnc2-c2ccc(Cl)cc2)c1 ZINC000225770395 208974832 /nfs/dbraw/zinc/97/48/32/208974832.db2.gz NULOUVZYKGHJQO-UHFFFAOYSA-N 0 0 375.837 4.128 40 0 GIABRN CC(C)CC(=O)N1CCC(Cc2cccc(-c3cccs3)c2)(C(N)=O)CC1 ZINC000257203921 209055304 /nfs/dbraw/zinc/05/53/04/209055304.db2.gz ASFBCWJWFKQQAL-UHFFFAOYSA-N 0 0 384.545 4.098 40 0 GIABRN CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(OC)cc(OC)c4)OCC[C@@]31C2 ZINC000257205782 209056005 /nfs/dbraw/zinc/05/60/05/209056005.db2.gz BANQJNZCFNUZKK-YXINZFGNSA-N 0 0 387.520 4.112 40 0 GIABRN CC(C)(C)OC(=O)N1CC[C@@H]2O[C@@H]3c4ccc(O)cc4OC(C)(C)[C@H]3C[C@@H]21 ZINC000257222949 209056795 /nfs/dbraw/zinc/05/67/95/209056795.db2.gz DVGIRBJIDIHTQW-NBOOPKSLSA-N 0 0 375.465 4.019 40 0 GIABRN CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccc(F)cc1)CN(Cc1cncs1)CCO2 ZINC000257217805 209057135 /nfs/dbraw/zinc/05/71/35/209057135.db2.gz DARWOJQTYLSKTG-ACRUOGEOSA-N 0 0 390.524 4.287 40 0 GIABRN Cc1cncc([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)n1 ZINC000257245418 209059584 /nfs/dbraw/zinc/05/95/84/209059584.db2.gz IPJQBSMSVILUOQ-MRXNPFEDSA-N 0 0 377.444 4.123 40 0 GIABRN Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)s1 ZINC000257249455 209060193 /nfs/dbraw/zinc/06/01/93/209060193.db2.gz JILHQFNCZVYAFA-GOSISDBHSA-N 0 0 399.491 4.384 40 0 GIABRN COc1cccc(C(=O)N2CCC[C@@H]2c2cc(-c3c(C)noc3C)nc(C)n2)c1 ZINC000257244327 209060663 /nfs/dbraw/zinc/06/06/63/209060663.db2.gz IKUJMUPDIWMWGC-HXUWFJFHSA-N 0 0 392.459 4.043 40 0 GIABRN O=C(COc1cccc(Cl)c1)Nc1ccc2c(c1)S(=O)(=O)c1ccccc1-2 ZINC000255187039 209046802 /nfs/dbraw/zinc/04/68/02/209046802.db2.gz AXDURDCFECANRJ-UHFFFAOYSA-N 0 0 399.855 4.171 40 0 GIABRN CCC(=O)N1CCO[C@H](c2cc(Cc3cccc(C(F)(F)F)c3)cc(C)n2)C1 ZINC000257257390 209062435 /nfs/dbraw/zinc/06/24/35/209062435.db2.gz KPKFYPNUKZCPMD-IBGZPJMESA-N 0 0 392.421 4.310 40 0 GIABRN COc1ccc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)cn1 ZINC000257254672 209062448 /nfs/dbraw/zinc/06/24/48/209062448.db2.gz KEETVVMETNYUEN-IBGZPJMESA-N 0 0 395.434 4.176 40 0 GIABRN CCn1cc(CN2CCO[C@@H](c3cc(Cc4ccccc4)cc(C)n3)C2)c(C)n1 ZINC000257273386 209063013 /nfs/dbraw/zinc/06/30/13/209063013.db2.gz NGIZJQXJSJDGBE-XMMPIXPASA-N 0 0 390.531 4.079 40 0 GIABRN Clc1ccccc1CN1CCO[C@@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257267613 209063670 /nfs/dbraw/zinc/06/36/70/209063670.db2.gz MIBFLQCPHCXEBD-LJQANCHMSA-N 0 0 380.879 4.447 40 0 GIABRN COc1ccccc1C(=O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257264518 209064780 /nfs/dbraw/zinc/06/47/80/209064780.db2.gz LUTVHLXBJTZVHY-KRWDZBQOSA-N 0 0 394.446 4.433 40 0 GIABRN Cn1c2nnc(SCc3ccc(Cl)cc3Cl)n2c2ccccc2c1=O ZINC000016320686 221360459 /nfs/dbraw/zinc/36/04/59/221360459.db2.gz YADBRXXDCUTMAM-UHFFFAOYSA-N 0 0 391.283 4.180 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)s1 ZINC000257269904 209064936 /nfs/dbraw/zinc/06/49/36/209064936.db2.gz MRXJNAVCEFHUEA-QGZVFWFLSA-N 0 0 381.501 4.359 40 0 GIABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSc1ccccc1 ZINC000222627674 533235198 /nfs/dbraw/zinc/23/51/98/533235198.db2.gz DMRPSQILPUWBRY-KRWDZBQOSA-N 0 0 384.545 4.111 40 0 GIABRN CC(C)CN1CCO[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000257277050 209066479 /nfs/dbraw/zinc/06/64/79/209066479.db2.gz NWGCCHQYLWFACL-LJQANCHMSA-N 0 0 397.441 4.079 40 0 GIABRN CC(C)CN1CCO[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000257277049 209066349 /nfs/dbraw/zinc/06/63/49/209066349.db2.gz NWGCCHQYLWFACL-IBGZPJMESA-N 0 0 397.441 4.079 40 0 GIABRN CC(C)(C)c1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)[nH]n1 ZINC000257274133 209067175 /nfs/dbraw/zinc/06/71/75/209067175.db2.gz NJRNBQLEVQXNSW-SFHVURJKSA-N 0 0 396.466 4.402 40 0 GIABRN Cn1ccnc1C(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257289101 209068484 /nfs/dbraw/zinc/06/84/84/209068484.db2.gz PWZFPGSOZWYOCE-KRWDZBQOSA-N 0 0 384.867 4.020 40 0 GIABRN Cc1nnc([C@]2(C)CCC[N@H+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)C2)o1 ZINC000257288295 209068637 /nfs/dbraw/zinc/06/86/37/209068637.db2.gz PTQPPZXEGZQMCQ-HSZRJFAPSA-N 0 0 391.471 4.297 40 0 GIABRN CC(C)n1nccc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257286278 209069576 /nfs/dbraw/zinc/06/95/76/209069576.db2.gz PKZZGPCXWGJNRP-GOSISDBHSA-N 0 0 378.476 4.063 40 0 GIABRN O=C(c1ccccc1F)N1CCC2(CC1)Oc1c(O)cccc1[C@H]1OCCC[C@@H]12 ZINC000257295620 209071177 /nfs/dbraw/zinc/07/11/77/209071177.db2.gz QZEKYQNLYUTWNM-FXAWDEMLSA-N 0 0 397.446 4.066 40 0 GIABRN Cc1noc(C)c1-c1cc(C2CCN(C(=O)c3cccc(F)c3)CC2)nc(C)n1 ZINC000257298053 209071231 /nfs/dbraw/zinc/07/12/31/209071231.db2.gz RJXYLJCXYDDJNS-UHFFFAOYSA-N 0 0 394.450 4.216 40 0 GIABRN Cc1nc([C@]2(C)CCCN(C(=O)c3cc(F)cc(F)c3)C2)c2sccn12 ZINC000257304516 209072418 /nfs/dbraw/zinc/07/24/18/209072418.db2.gz SMAKZRICDQUNJW-LJQANCHMSA-N 0 0 375.444 4.176 40 0 GIABRN COC[C@H](C)NC(=O)C1(Cc2ccc(-c3cc(C)cc(C)c3)cc2)CCOCC1 ZINC000257308560 209072451 /nfs/dbraw/zinc/07/24/51/209072451.db2.gz TXEVOCUMSTUZIS-FQEVSTJZSA-N 0 0 395.543 4.461 40 0 GIABRN COc1ccc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)c(OC)c1 ZINC000408805125 533241668 /nfs/dbraw/zinc/24/16/68/533241668.db2.gz IMRICVVQQXCXOU-UHFFFAOYSA-N 0 0 389.884 4.429 40 0 GIABRN COc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Cl ZINC000409014038 533422588 /nfs/dbraw/zinc/42/25/88/533422588.db2.gz OPUZESTZLNCQBT-OVCLIPMQSA-N 0 0 395.217 4.234 40 0 GIABRN C[C@@H]1CCCC[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000408998571 533615629 /nfs/dbraw/zinc/61/56/29/533615629.db2.gz MFLSJRSBHMUMTP-QIJUGHKUSA-N 0 0 394.515 4.219 40 0 GIABRN C[C@@H]1CCCC[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)Oc1ccccc1 ZINC000408998332 533616005 /nfs/dbraw/zinc/61/60/05/533616005.db2.gz LKHNSBAMVDKFPA-UIFIKXQLSA-N 0 0 380.488 4.081 40 0 GIABRN CCCCCC(=O)N[C@H]1c2cc(C)ccc2N(C(=O)c2ccccc2)[C@H](C)[C@@H]1O ZINC000006309938 136195098 /nfs/dbraw/zinc/19/50/98/136195098.db2.gz YUGXHDQTAIUVTL-VSDWSMLSSA-N 0 0 394.515 4.142 40 0 GIABRN CC(C)Oc1ccccc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000219736980 136204485 /nfs/dbraw/zinc/20/44/85/136204485.db2.gz MCOOFNPGVFOUNW-UHFFFAOYSA-N 0 0 392.421 4.455 40 0 GIABRN Cc1ccc(CNC(=S)Nc2ccc(N3CCc4ccccc4C3)nc2)cc1 ZINC000223944391 136206127 /nfs/dbraw/zinc/20/61/27/136206127.db2.gz NFALWCYQTHTNCS-UHFFFAOYSA-N 0 0 388.540 4.439 40 0 GIABRN O=C(c1cc(-c2ccc(F)cc2)on1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000224068022 136206196 /nfs/dbraw/zinc/20/61/96/136206196.db2.gz AHLZBHSYSBHTRX-UHFFFAOYSA-N 0 0 385.826 4.097 40 0 GIABRN Cc1cccc(N2CCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3)CC2)c1C ZINC000224059078 136206374 /nfs/dbraw/zinc/20/63/74/136206374.db2.gz ZWPJKQOKFWLFGU-UHFFFAOYSA-N 0 0 394.906 4.105 40 0 GIABRN CC(C)n1nccc1C(=O)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257305070 209073183 /nfs/dbraw/zinc/07/31/83/209073183.db2.gz SOHVVZBFSLZYTA-KRWDZBQOSA-N 0 0 396.466 4.202 40 0 GIABRN CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4)OCC[C@]3(C2)[C@H]1NC(=O)c1cccnc1 ZINC000257307633 209073427 /nfs/dbraw/zinc/07/34/27/209073427.db2.gz SZPDVSIYXBZEIK-LMEXZFPPSA-N 0 0 376.500 4.394 40 0 GIABRN CC(C)(C)OC(=O)N1CCC[C@@H]2O[C@@H]3c4ccc(O)cc4OC(C)(C)[C@H]3C[C@@H]21 ZINC000257314527 209075214 /nfs/dbraw/zinc/07/52/14/209075214.db2.gz UXJWWWHAYCLMJD-LSTDLKDCSA-N 0 0 389.492 4.409 40 0 GIABRN C[C@]1(O)CCN(C(=O)c2cc3cc(Cl)ccc3o2)C[C@@H]1Oc1ccccc1 ZINC000257326018 209076079 /nfs/dbraw/zinc/07/60/79/209076079.db2.gz WVLGTCAHDHFLRX-FPOVZHCZSA-N 0 0 385.847 4.131 40 0 GIABRN COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3scnc3C)C2)o1 ZINC000257323471 209075774 /nfs/dbraw/zinc/07/57/74/209075774.db2.gz WKHRGBLMMGMPCD-MRXNPFEDSA-N 0 0 397.500 4.059 40 0 GIABRN CCc1nnc(Nc2cccc([C@@H]3CN(Cc4ccccc4C)CCO3)n2)s1 ZINC000257327404 209076275 /nfs/dbraw/zinc/07/62/75/209076275.db2.gz XBEOWBARRIXILS-SFHVURJKSA-N 0 0 395.532 4.121 40 0 GIABRN COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4ccccn4)C3)c2)cc1 ZINC000257329288 209077028 /nfs/dbraw/zinc/07/70/28/209077028.db2.gz XJEXXKQYYQGWBW-IBGZPJMESA-N 0 0 387.483 4.480 40 0 GIABRN Cc1noc(C)c1-c1cccc(C[C@H]2CCN(C(=O)c3cccc(F)c3)C2)n1 ZINC000257334423 209077815 /nfs/dbraw/zinc/07/78/15/209077815.db2.gz YFUKILZYFOWAPB-MRXNPFEDSA-N 0 0 379.435 4.197 40 0 GIABRN Cc1cncnc1[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257342452 209078273 /nfs/dbraw/zinc/07/82/73/209078273.db2.gz ZORBHYQVLSBCNH-MRXNPFEDSA-N 0 0 377.444 4.123 40 0 GIABRN COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2cncs2)o1 ZINC000257338406 209078818 /nfs/dbraw/zinc/07/88/18/209078818.db2.gz YXGPOUNTPFDMML-MRXNPFEDSA-N 0 0 383.473 4.098 40 0 GIABRN CNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)C2CCC2)CC1 ZINC000072345173 222233338 /nfs/dbraw/zinc/23/33/38/222233338.db2.gz HINSIXHVUFWQRL-UHFFFAOYSA-N 0 0 396.556 4.113 40 0 GIABRN O=C(c1cccnc1)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072349110 222234591 /nfs/dbraw/zinc/23/45/91/222234591.db2.gz NWYJAKQKKWWKMH-LJQANCHMSA-N 0 0 375.447 4.226 40 0 GIABRN Cc1cccc(Cc2cccc([C@H]3CCCN(C(=O)Cc4ccccn4)C3)n2)c1 ZINC000072349482 222236293 /nfs/dbraw/zinc/23/62/93/222236293.db2.gz BTVVCMGMXLHOSP-NRFANRHFSA-N 0 0 385.511 4.325 40 0 GIABRN O=C(Cc1cccnc1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072349400 222236428 /nfs/dbraw/zinc/23/64/28/222236428.db2.gz ZXVUZKKYRGVTBK-FQEVSTJZSA-N 0 0 389.474 4.155 40 0 GIABRN O=C(Cc1cccnc1)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072349402 222236448 /nfs/dbraw/zinc/23/64/48/222236448.db2.gz GHFFQJOULXALKL-HXUWFJFHSA-N 0 0 389.474 4.155 40 0 GIABRN Cc1n[nH]cc1C(=O)N1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072349765 222236501 /nfs/dbraw/zinc/23/65/01/222236501.db2.gz GJBCKQWIXCDOGS-KRWDZBQOSA-N 0 0 394.906 4.377 40 0 GIABRN COc1ccc(-c2cccc([C@H]3CCCN(C(=O)Cc4ccccn4)C3)n2)cc1 ZINC000072349471 222236528 /nfs/dbraw/zinc/23/65/28/222236528.db2.gz WKINWGMGNLUPPE-IBGZPJMESA-N 0 0 387.483 4.101 40 0 GIABRN O=C(c1ccncc1)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072349163 222236879 /nfs/dbraw/zinc/23/68/79/222236879.db2.gz SYZFPTZGRKCWDB-LJQANCHMSA-N 0 0 375.447 4.226 40 0 GIABRN CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccccc2)C1 ZINC000072391058 222248395 /nfs/dbraw/zinc/24/83/95/222248395.db2.gz GMTDHJDGPJCIPX-AREMUKBSSA-N 0 0 398.506 4.175 40 0 GIABRN CCC(=O)N1CCC[C@](Cc2cccc(-c3cccc(F)c3)c2)(C(=O)N(C)C)C1 ZINC000072391547 222248414 /nfs/dbraw/zinc/24/84/14/222248414.db2.gz URDHEYIVGFNYPZ-XMMPIXPASA-N 0 0 396.506 4.142 40 0 GIABRN COc1ccc(Cl)cc1C(=O)OCC(=O)c1ccc(Br)cc1 ZINC000003498002 533839188 /nfs/dbraw/zinc/83/91/88/533839188.db2.gz QUXKYQMXJBQAJS-UHFFFAOYSA-N 0 0 383.625 4.151 40 0 GIABRN COC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)ccc1Cl ZINC000408681501 533893745 /nfs/dbraw/zinc/89/37/45/533893745.db2.gz WWMWLXPRMKCPLF-UHFFFAOYSA-N 0 0 397.880 4.059 40 0 GIABRN Cc1ccc(CN2C(=O)N/C(=C/c3cccn3-c3cccc(C)c3C)C2=O)cc1 ZINC000409253248 533911305 /nfs/dbraw/zinc/91/13/05/533911305.db2.gz ZHEDNTGFNXISQO-KGENOOAVSA-N 0 0 385.467 4.495 40 0 GIABRN COc1ccccc1-c1nnc(SC(=O)c2ccccc2Br)o1 ZINC000408623883 533926374 /nfs/dbraw/zinc/92/63/74/533926374.db2.gz SNAWNGBVILOVTO-UHFFFAOYSA-N 0 0 391.246 4.440 40 0 GIABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1NC(c2ccccc2)=CS1 ZINC000408909242 533927188 /nfs/dbraw/zinc/92/71/88/533927188.db2.gz GTDPAVQZHWGPMD-ADLMAVQZSA-N 0 0 395.311 4.496 40 0 GIABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)c1 ZINC000408564101 534082184 /nfs/dbraw/zinc/08/21/84/534082184.db2.gz XSFFLAYVLXHYBF-UHFFFAOYSA-N 0 0 387.505 4.122 40 0 GIABRN COc1ccc(NC(=O)CSCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000001980692 534085546 /nfs/dbraw/zinc/08/55/46/534085546.db2.gz WLVXXGQFFFQWNM-UHFFFAOYSA-N 0 0 399.299 4.312 40 0 GIABRN Cc1ccc(-c2nnc(CN(C)C(=O)COc3cccc4ccccc43)o2)cc1 ZINC000408714084 534222407 /nfs/dbraw/zinc/22/24/07/534222407.db2.gz IBPWZXJSGBVCKM-UHFFFAOYSA-N 0 0 387.439 4.236 40 0 GIABRN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000225022918 534260840 /nfs/dbraw/zinc/26/08/40/534260840.db2.gz KTINNCBUJHULNV-MOSHPQCFSA-N 0 0 394.858 4.329 40 0 GIABRN CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccccc2F)cc1OCC ZINC000219572341 517728436 /nfs/dbraw/zinc/72/84/36/517728436.db2.gz ARYKZQGMCWFRDK-QGZVFWFLSA-N 0 0 375.440 4.097 40 0 GIABRN FC(F)(F)CCOCc1nn(C2CCCC2)cc1I ZINC000408717266 534382046 /nfs/dbraw/zinc/38/20/46/534382046.db2.gz XTEBKLGIWCXCLU-UHFFFAOYSA-N 0 0 388.171 4.072 40 0 GIABRN O=C(OCc1ccc(Cl)cc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000409224369 534563586 /nfs/dbraw/zinc/56/35/86/534563586.db2.gz JMJNCXLBNWWBCI-UHFFFAOYSA-N 0 0 391.810 4.498 40 0 GIABRN CC(C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408703966 527727212 /nfs/dbraw/zinc/72/72/12/527727212.db2.gz HOXAMVYWJJYMDA-FQEVSTJZSA-N 0 0 388.920 4.252 40 0 GIABRN CCCC1=C[C@](O)(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)C)cc2)N1 ZINC000409105592 528064758 /nfs/dbraw/zinc/06/47/58/528064758.db2.gz IUHRRXPQQBPLCW-SFHVURJKSA-N 0 0 386.414 4.002 40 0 GIABRN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000408731884 528066903 /nfs/dbraw/zinc/06/69/03/528066903.db2.gz QKDHANATGIDZRC-URFUVCHWSA-N 0 0 379.459 4.431 40 0 GIABRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)N[C@@H](C)c3ccccc3)C(=O)[C@H]2C1 ZINC000408680359 528123589 /nfs/dbraw/zinc/12/35/89/528123589.db2.gz HQPZKVTWXIPYIH-QRFRQXIXSA-N 0 0 388.467 4.023 40 0 GIABRN CCCCCCOc1ccccc1/C=c1/sc2nc3ccccc3n2c1=O ZINC000408720177 528148160 /nfs/dbraw/zinc/14/81/60/528148160.db2.gz YPESAPZSBGQUFN-HMMYKYKNSA-N 0 0 378.497 4.416 40 0 GIABRN CCOc1c(Cl)cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1Cl ZINC000409233184 528167773 /nfs/dbraw/zinc/16/77/73/528167773.db2.gz RPVKCGWDQPKXCM-UKTHLTGXSA-N 0 0 390.288 4.465 40 0 GIABRN CCCN1C(=O)N/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O ZINC000409239843 528174823 /nfs/dbraw/zinc/17/48/23/528174823.db2.gz FOBQFPIXNUHHHX-XDHOZWIPSA-N 0 0 377.419 4.131 40 0 GIABRN CCCCCOc1ccc(NC(=O)C(=O)NCc2ccc(OC(C)C)cc2)cc1 ZINC000408708069 528236772 /nfs/dbraw/zinc/23/67/72/528236772.db2.gz GOJAYSUXGBPOHY-UHFFFAOYSA-N 0 0 398.503 4.298 40 0 GIABRN CCOc1cc(C(=S)NCCOC)cc(Cl)c1OCc1ccccc1 ZINC000408571837 528240088 /nfs/dbraw/zinc/24/00/88/528240088.db2.gz CTBGUPQKPUBSHU-UHFFFAOYSA-N 0 0 379.909 4.229 40 0 GIABRN CC(C)Oc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2)C1=O ZINC000106702992 528244106 /nfs/dbraw/zinc/24/41/06/528244106.db2.gz LNYDGUGTYWDHKP-PDGQHHTCSA-N 0 0 396.468 4.149 40 0 GIABRN CCOc1cc(C=O)ccc1OCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000408599326 528256444 /nfs/dbraw/zinc/25/64/44/528256444.db2.gz GBUTTXHRGCUWHT-UHFFFAOYSA-N 0 0 396.468 4.347 40 0 GIABRN CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(OC)cc3)n2C)cc1 ZINC000409205417 528351418 /nfs/dbraw/zinc/35/14/18/528351418.db2.gz IHFCOYHOADAHPB-DQRAZIAOSA-N 0 0 382.485 4.210 40 0 GIABRN CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(C)c2)cc1 ZINC000409094984 528358887 /nfs/dbraw/zinc/35/88/87/528358887.db2.gz ASLWEZJGDBZFMS-UHFFFAOYSA-N 0 0 382.489 4.014 40 0 GIABRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccccc2C)c1 ZINC000408628170 528430159 /nfs/dbraw/zinc/43/01/59/528430159.db2.gz QFGZVUXZJWANJL-UHFFFAOYSA-N 0 0 375.881 4.124 40 0 GIABRN CCOc1ccc(CNC(=O)c2ccccc2NC(=O)c2cccs2)cc1 ZINC000408615150 528454749 /nfs/dbraw/zinc/45/47/49/528454749.db2.gz MQUGRQGBYHDZML-UHFFFAOYSA-N 0 0 380.469 4.329 40 0 GIABRN CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1NC(=O)CC ZINC000408698245 528588214 /nfs/dbraw/zinc/58/82/14/528588214.db2.gz ODZICFQPKCYBAB-UHFFFAOYSA-N 0 0 396.896 4.196 40 0 GIABRN CCOc1ccc(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1ccccc1 ZINC000408559753 528589378 /nfs/dbraw/zinc/58/93/78/528589378.db2.gz YNQKTAFWIVDFIU-UHFFFAOYSA-N 0 0 396.468 4.138 40 0 GIABRN CCCOc1ccc(N2C[C@H](C(=O)NCc3ccc(C(C)C)cc3)CC2=O)cc1 ZINC000408707840 528696218 /nfs/dbraw/zinc/69/62/18/528696218.db2.gz MCZQKKWUQWVPOG-HXUWFJFHSA-N 0 0 394.515 4.268 40 0 GIABRN CCOc1ccccc1-c1nc(SCC(=O)Nc2cc(C)ccc2C)n[nH]1 ZINC000408526591 528700536 /nfs/dbraw/zinc/70/05/36/528700536.db2.gz FEGXUAVCOONFEF-UHFFFAOYSA-N 0 0 382.489 4.218 40 0 GIABRN CCCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1-c1ccccc1 ZINC000409094718 528822803 /nfs/dbraw/zinc/82/28/03/528822803.db2.gz FNJYOEPHRMDCGP-UHFFFAOYSA-N 0 0 396.516 4.485 40 0 GIABRN CCN1C(=O)C(=Cc2ccc(-c3ccc(Br)c(C)c3)o2)NC1=S ZINC000409129064 528943128 /nfs/dbraw/zinc/94/31/28/528943128.db2.gz QPGGFKPUMPODEQ-ZROIWOOFSA-N 0 0 391.290 4.095 40 0 GIABRN CCOC(=O)N[C@@H](CC(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000408980004 529090545 /nfs/dbraw/zinc/09/05/45/529090545.db2.gz PHTCBXAMGWCADN-INIZCTEOSA-N 0 0 391.265 4.265 40 0 GIABRN CCOC(=O)Nc1ccc(S(=O)(=O)Nc2c(CC)cccc2CC)cc1 ZINC000408554489 529112214 /nfs/dbraw/zinc/11/22/14/529112214.db2.gz SJGTXQWNRWYVMN-UHFFFAOYSA-N 0 0 376.478 4.181 40 0 GIABRN CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1Cl ZINC000409074469 529192048 /nfs/dbraw/zinc/19/20/48/529192048.db2.gz LXYSPWCRTGZJFX-ALNRQSLMSA-N 0 0 397.880 4.115 40 0 GIABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000222910538 536044314 /nfs/dbraw/zinc/04/43/14/536044314.db2.gz HMUAKNQUZQCXRA-QFIPXVFZSA-N 0 0 380.532 4.490 40 0 GIABRN C[C@H](O)c1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc(C3CC3)n1)C2 ZINC000329020305 570213008 /nfs/dbraw/zinc/21/30/08/570213008.db2.gz OAKQXVYIEXNJNZ-HNNXBMFYSA-N 0 0 378.520 4.325 40 0 GIABRN Cc1nc([C@@H]2CCCCN2Cc2ccccc2)ncc1C(=O)N1CCCCC1 ZINC000019765739 570217056 /nfs/dbraw/zinc/21/70/56/570217056.db2.gz IWWBBHUDYMIEJE-NRFANRHFSA-N 0 0 378.520 4.138 40 0 GIABRN CCOC(=O)CSc1nnc(Nc2ccc(C)cc2)n1-c1ccc(C)cc1 ZINC000000725817 570221093 /nfs/dbraw/zinc/22/10/93/570221093.db2.gz BNSSEMAKUUALAM-UHFFFAOYSA-N 0 0 382.489 4.283 40 0 GIABRN CC(=O)N1CCN(C(=O)c2ccccc2Nc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000585261758 570228698 /nfs/dbraw/zinc/22/86/98/570228698.db2.gz GIZGTTXANMPENE-XMMPIXPASA-N 0 0 399.494 4.476 40 0 GIABRN Cc1c2cc(F)ccc2oc1C(=O)N(C)[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585272299 570242486 /nfs/dbraw/zinc/24/24/86/570242486.db2.gz KDRNMVGYWUGXOY-HMXCVIKNSA-N 0 0 397.446 4.313 40 0 GIABRN O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1cc(Cl)ccc1Cl ZINC000021124787 570291390 /nfs/dbraw/zinc/29/13/90/570291390.db2.gz CAGAEWKQKBLVOS-UHFFFAOYSA-N 0 0 390.255 4.412 40 0 GIABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3Br)CC2=O)cc1C ZINC000021450550 570296057 /nfs/dbraw/zinc/29/60/57/570296057.db2.gz AVPKULKJFURDJS-CQSZACIVSA-N 0 0 387.277 4.058 40 0 GIABRN N[C@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1Cl ZINC000072227329 570318882 /nfs/dbraw/zinc/31/88/82/570318882.db2.gz ZHVYVMWKQMDEFG-KGLIPLIRSA-N 0 0 386.076 4.171 40 0 GIABRN N[C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Br)cc1 ZINC000072227792 570319285 /nfs/dbraw/zinc/31/92/85/570319285.db2.gz PTOCXHUOOLZTDU-ZIAGYGMSSA-N 0 0 386.076 4.171 40 0 GIABRN N[C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000072227823 570319313 /nfs/dbraw/zinc/31/93/13/570319313.db2.gz VEVFCEWGFLLVMR-KBPBESRZSA-N 0 0 375.177 4.427 40 0 GIABRN CN1CCN(C(=S)c2cccc(OCc3c(Cl)cccc3Cl)c2)CC1 ZINC000408572622 570336101 /nfs/dbraw/zinc/33/61/01/570336101.db2.gz HKRMLRVVQKSDHY-UHFFFAOYSA-N 0 0 395.355 4.495 40 0 GIABRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N[C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000049729916 570339569 /nfs/dbraw/zinc/33/95/69/570339569.db2.gz LICVCQOIPWBBHB-MMACOIQUSA-N 0 0 397.567 4.015 40 0 GIABRN Cc1ccc(OC[C@H](C)NC(=O)COc2ccc(Br)c(C)c2)cc1 ZINC000218828544 570341781 /nfs/dbraw/zinc/34/17/81/570341781.db2.gz OURURKUYYAXPMX-HNNXBMFYSA-N 0 0 392.293 4.028 40 0 GIABRN CCOc1ccc(CNC(=O)COc2cc(C)c(Br)c(C)c2)cc1 ZINC000218842038 570342090 /nfs/dbraw/zinc/34/20/90/570342090.db2.gz QPPFJGJCCJSLFR-UHFFFAOYSA-N 0 0 392.293 4.160 40 0 GIABRN Cc1ccc2nsnc2c1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000408575428 570342312 /nfs/dbraw/zinc/34/23/12/570342312.db2.gz UWFBKTLMLXYTES-UHFFFAOYSA-N 0 0 397.312 4.433 40 0 GIABRN COc1cc(CNC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OC(C)C ZINC000218921552 570343779 /nfs/dbraw/zinc/34/37/79/570343779.db2.gz ZYRQKBCIIZCAHJ-UHFFFAOYSA-N 0 0 391.895 4.448 40 0 GIABRN CCOc1ccc(CNC(=O)COc2ccc(C(C)(C)C)cc2)cc1OCC ZINC000218930681 570343944 /nfs/dbraw/zinc/34/39/44/570343944.db2.gz ZEWGDWFBBUHVHW-UHFFFAOYSA-N 0 0 385.504 4.477 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1cc(C)cc(C)c1C ZINC000218969555 570344720 /nfs/dbraw/zinc/34/47/20/570344720.db2.gz FGVKSHLMSFCLGZ-LJQANCHMSA-N 0 0 383.488 4.418 40 0 GIABRN O=C(NCc1nc(-c2cccs2)no1)c1ccccc1OCc1ccccc1 ZINC000218988473 570345547 /nfs/dbraw/zinc/34/55/47/570345547.db2.gz ZKYFWJOCGBCWCG-UHFFFAOYSA-N 0 0 391.452 4.307 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1cc(C)ccc1C ZINC000219078354 570347635 /nfs/dbraw/zinc/34/76/35/570347635.db2.gz SNCIUQWDIDTXTE-OAHLLOKOSA-N 0 0 385.489 4.231 40 0 GIABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000219203250 570349308 /nfs/dbraw/zinc/34/93/08/570349308.db2.gz LRMYJKCVRNGRAS-NRFANRHFSA-N 0 0 380.488 4.339 40 0 GIABRN COc1ccc(CCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1OC ZINC000219281919 570350635 /nfs/dbraw/zinc/35/06/35/570350635.db2.gz SCJJVGPTVRXXIU-SFHVURJKSA-N 0 0 383.488 4.363 40 0 GIABRN CCc1ccccc1O[C@@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219295350 570351620 /nfs/dbraw/zinc/35/16/20/570351620.db2.gz RITPATXEJSDZSO-HNAYVOBHSA-N 0 0 383.488 4.444 40 0 GIABRN Cc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1 ZINC000219300097 570351955 /nfs/dbraw/zinc/35/19/55/570351955.db2.gz YLUHQXAJFKFYIU-MRXNPFEDSA-N 0 0 379.460 4.252 40 0 GIABRN COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1C)CC(C)(C)O2 ZINC000219310448 570353979 /nfs/dbraw/zinc/35/39/79/570353979.db2.gz GQDPBTPAQZLZBN-LPHOPBHVSA-N 0 0 383.488 4.498 40 0 GIABRN Cc1cccc(O[C@@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)c1C ZINC000219311445 570353995 /nfs/dbraw/zinc/35/39/95/570353995.db2.gz NVDFMVOQQJTLDI-AWEZNQCLSA-N 0 0 385.851 4.091 40 0 GIABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000219326394 570355130 /nfs/dbraw/zinc/35/51/30/570355130.db2.gz JVCUIJJXVZUJET-CQSZACIVSA-N 0 0 391.880 4.268 40 0 GIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219359935 570356887 /nfs/dbraw/zinc/35/68/87/570356887.db2.gz AIBMBKLWVWPNIG-PMACEKPBSA-N 0 0 399.487 4.280 40 0 GIABRN CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=O)N(C)C3=O)o2)ccc1Cl ZINC000006327646 570358377 /nfs/dbraw/zinc/35/83/77/570358377.db2.gz XFEYNAAWDSIHSH-OQLLNIDSSA-N 0 0 391.832 4.443 40 0 GIABRN COc1cc2ccccc2cc1C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000219395712 570358985 /nfs/dbraw/zinc/35/89/85/570358985.db2.gz QHIYWTCUJAWHEJ-UHFFFAOYSA-N 0 0 393.830 4.482 40 0 GIABRN C[C@H](c1nnnn1C1CCCCC1)N(Cc1ccccc1)Cc1cccnc1 ZINC000057614080 570366089 /nfs/dbraw/zinc/36/60/89/570366089.db2.gz JWONNKIJANQQNA-GOSISDBHSA-N 0 0 376.508 4.337 40 0 GIABRN CC[C@H](Oc1ccccc1F)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219581863 570369301 /nfs/dbraw/zinc/36/93/01/570369301.db2.gz ZBHWURFJKNDOBT-ROUUACIJSA-N 0 0 387.451 4.410 40 0 GIABRN CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219581671 570369328 /nfs/dbraw/zinc/36/93/28/570369328.db2.gz ZBHWURFJKNDOBT-QZTJIDSGSA-N 0 0 387.451 4.410 40 0 GIABRN CC[C@H](NC(=O)c1ccccc1SC(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000219658504 570372096 /nfs/dbraw/zinc/37/20/96/570372096.db2.gz PZLXPWXAAAMEJD-SFHVURJKSA-N 0 0 391.558 4.472 40 0 GIABRN Fc1ccc(OCCNc2ncc(-c3ncc[nH]3)c(-c3ccc(F)cc3)n2)cc1 ZINC000057761963 570372883 /nfs/dbraw/zinc/37/28/83/570372883.db2.gz FFJZKPKNRGISTE-UHFFFAOYSA-N 0 0 393.397 4.303 40 0 GIABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(C)c2)cc1 ZINC000408627612 570379929 /nfs/dbraw/zinc/37/99/29/570379929.db2.gz MIZZSMNOBOYEFH-UHFFFAOYSA-N 0 0 377.307 4.447 40 0 GIABRN O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)Nc1ccc(Cl)cc1 ZINC000408627496 570379981 /nfs/dbraw/zinc/37/99/81/570379981.db2.gz NAXRDZKGEXLSEK-UHFFFAOYSA-N 0 0 398.871 4.154 40 0 GIABRN C[C@H](C(=O)c1ccc(OC(F)F)cc1)n1nc(-c2ccncc2)oc1=S ZINC000008534831 570380645 /nfs/dbraw/zinc/38/06/45/570380645.db2.gz RKSGWKWOUNRJSS-SNVBAGLBSA-N 0 0 377.372 4.313 40 0 GIABRN CCc1ccc(N([C@@H](C)C(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)cc1 ZINC000220269482 570384258 /nfs/dbraw/zinc/38/42/58/570384258.db2.gz ONRMTAJEXIWOIK-AWEZNQCLSA-N 0 0 394.924 4.004 40 0 GIABRN Cc1ccc(NCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)c(C)c1 ZINC000004718273 570397613 /nfs/dbraw/zinc/39/76/13/570397613.db2.gz OELRMTBSBJKCSB-GIJQJNRQSA-N 0 0 382.441 4.138 40 0 GIABRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)Nc2ccccc2)c1 ZINC000026780030 570408697 /nfs/dbraw/zinc/40/86/97/570408697.db2.gz VTKVBMOHAJYHTO-UHFFFAOYSA-N 0 0 381.885 4.015 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222434921 570410628 /nfs/dbraw/zinc/41/06/28/570410628.db2.gz GJZOQHNGDKLWQB-LJQANCHMSA-N 0 0 380.532 4.214 40 0 GIABRN COCCNc1c(-c2cc3cc(C)cc(C)c3[nH]c2=O)nc2ccc(Cl)cn21 ZINC000004847638 570411928 /nfs/dbraw/zinc/41/19/28/570411928.db2.gz ZFHWQNNZVJXICR-UHFFFAOYSA-N 0 0 396.878 4.171 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F ZINC000222505533 570413001 /nfs/dbraw/zinc/41/30/01/570413001.db2.gz XLFQMWKHSHFMJE-NRFANRHFSA-N 0 0 384.495 4.009 40 0 GIABRN Cc1cc(C)cc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c1 ZINC000222526654 570413720 /nfs/dbraw/zinc/41/37/20/570413720.db2.gz UJJUFZADYJKMHU-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccc(C(F)(F)F)c2)C1=O ZINC000007071173 570416126 /nfs/dbraw/zinc/41/61/26/570416126.db2.gz YUZZZDFWUPWRHN-SEEODLKFSA-N 0 0 387.379 4.083 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 ZINC000222623323 570417305 /nfs/dbraw/zinc/41/73/05/570417305.db2.gz RGPPKKKANGDWGS-PGRDOPGGSA-N 0 0 398.522 4.133 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)Cc1ccccc1C ZINC000222625413 570417614 /nfs/dbraw/zinc/41/76/14/570417614.db2.gz BRZNPFMPZOTBRS-NZQKXSOJSA-N 0 0 394.559 4.302 40 0 GIABRN CCOc1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1Cl ZINC000222644541 570418484 /nfs/dbraw/zinc/41/84/84/570418484.db2.gz IJUKOBPQNBCVQR-UHFFFAOYSA-N 0 0 392.242 4.372 40 0 GIABRN C[C@@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc2c(c1)OCCO2 ZINC000222658425 570419297 /nfs/dbraw/zinc/41/92/97/570419297.db2.gz PCXIICVXZSKEHK-GFCCVEGCSA-N 0 0 395.883 4.361 40 0 GIABRN Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc(C)c1Cl ZINC000222693120 570421021 /nfs/dbraw/zinc/42/10/21/570421021.db2.gz UZOMHCJBXZSZGJ-GJZGRUSLSA-N 0 0 389.879 4.373 40 0 GIABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000222700868 570421337 /nfs/dbraw/zinc/42/13/37/570421337.db2.gz OKWICJRBOVDNHA-HOTGVXAUSA-N 0 0 377.440 4.256 40 0 GIABRN COc1cc(CNC(=O)CSCc2ccccc2F)ccc1OC(C)C ZINC000222705802 570421642 /nfs/dbraw/zinc/42/16/42/570421642.db2.gz IYGBTIQAWNDYPV-UHFFFAOYSA-N 0 0 377.481 4.171 40 0 GIABRN CCc1ccccc1NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 ZINC000222709769 570421654 /nfs/dbraw/zinc/42/16/54/570421654.db2.gz PLRIGQBHUGHZHH-UHFFFAOYSA-N 0 0 392.546 4.366 40 0 GIABRN Cc1cccc(CN(C(=O)COc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222712477 570421922 /nfs/dbraw/zinc/42/19/22/570421922.db2.gz YLPJOFPSNBHKIR-LJQANCHMSA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3c(C)c(C)n(CCOC)c3C)N21 ZINC000222719575 570422204 /nfs/dbraw/zinc/42/22/04/570422204.db2.gz KGEJMYFIXYTJBE-IOMROCGXSA-N 0 0 398.576 4.434 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000222719186 570422213 /nfs/dbraw/zinc/42/22/13/570422213.db2.gz DYUZAYLUXKPBRS-SUMWQHHRSA-N 0 0 375.852 4.146 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 ZINC000222721623 570422496 /nfs/dbraw/zinc/42/24/96/570422496.db2.gz DUHZKXXWGROLPT-CQSZACIVSA-N 0 0 393.314 4.008 40 0 GIABRN CCCC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222750982 570424032 /nfs/dbraw/zinc/42/40/32/570424032.db2.gz QIJYATREQWYZJY-JOCHJYFZSA-N 0 0 398.522 4.338 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222783807 570425780 /nfs/dbraw/zinc/42/57/80/570425780.db2.gz IODSETGSVGUORA-LJQANCHMSA-N 0 0 380.532 4.178 40 0 GIABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000222821949 570427707 /nfs/dbraw/zinc/42/77/07/570427707.db2.gz PFVQJBIBQHMERI-CYBMUJFWSA-N 0 0 379.287 4.047 40 0 GIABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 ZINC000222886160 570430109 /nfs/dbraw/zinc/43/01/09/570430109.db2.gz REYTXUKZKUSYPZ-UXHICEINSA-N 0 0 380.492 4.394 40 0 GIABRN O=C(NC/C(Br)=C/Br)Nc1cccc2c1CCCC2 ZINC000005179292 570430741 /nfs/dbraw/zinc/43/07/41/570430741.db2.gz NJNSVRZJJCYTBL-FLIBITNWSA-N 0 0 388.103 4.318 40 0 GIABRN Cc1ccc(C)c(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000005200177 570431269 /nfs/dbraw/zinc/43/12/69/570431269.db2.gz PZRRAMUVNAELRY-UHFFFAOYSA-N 0 0 392.421 4.050 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(Cl)c1 ZINC000222934521 570432048 /nfs/dbraw/zinc/43/20/48/570432048.db2.gz LNEJNHUEKNIGDX-CQSZACIVSA-N 0 0 393.314 4.089 40 0 GIABRN O=C(Cn1ccc(=O)c2ccccc21)Nc1cc(C(F)(F)F)ccc1Cl ZINC000123363333 570433146 /nfs/dbraw/zinc/43/31/46/570433146.db2.gz HHQDIJXHCGMCJP-UHFFFAOYSA-N 0 0 380.753 4.312 40 0 GIABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1nc(-c2cccc(C)c2)no1 ZINC000222973104 570434275 /nfs/dbraw/zinc/43/42/75/570434275.db2.gz XOUIJSUAFRUYPG-GOSISDBHSA-N 0 0 379.460 4.136 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 ZINC000222979287 570434910 /nfs/dbraw/zinc/43/49/10/570434910.db2.gz BQGXIDDKFOBQGC-FQEVSTJZSA-N 0 0 396.531 4.179 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 ZINC000223001473 570436348 /nfs/dbraw/zinc/43/63/48/570436348.db2.gz ZNEDBXPRPOQXHL-JOCHJYFZSA-N 0 0 396.531 4.051 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C ZINC000223010875 570437238 /nfs/dbraw/zinc/43/72/38/570437238.db2.gz UBVASCFTKHHJPK-NRFANRHFSA-N 0 0 396.531 4.051 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 ZINC000223035041 570439170 /nfs/dbraw/zinc/43/91/70/570439170.db2.gz XLOQJUKUKOEYFL-FQEVSTJZSA-N 0 0 380.532 4.180 40 0 GIABRN CSc1cccc(NC(=O)COc2ccc(I)cc2)c1 ZINC000005438977 570439306 /nfs/dbraw/zinc/43/93/06/570439306.db2.gz YUSPAPUTKCZJDL-UHFFFAOYSA-N 0 0 399.253 4.031 40 0 GIABRN CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)CC1c2ccccc2-c2ccccc21 ZINC000005459671 570440788 /nfs/dbraw/zinc/44/07/88/570440788.db2.gz IGLRIPCXKIJBFI-XMMPIXPASA-N 0 0 399.490 4.480 40 0 GIABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 ZINC000223075614 570441611 /nfs/dbraw/zinc/44/16/11/570441611.db2.gz VWXSGIOGDZDDDU-WOJBJXKFSA-N 0 0 384.549 4.007 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 ZINC000223084417 570442001 /nfs/dbraw/zinc/44/20/01/570442001.db2.gz VFKSORHGDPLXRO-HXUWFJFHSA-N 0 0 380.532 4.180 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 ZINC000223094206 570442773 /nfs/dbraw/zinc/44/27/73/570442773.db2.gz IYBDRSASIDSQDQ-LJQANCHMSA-N 0 0 398.572 4.421 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C ZINC000223093450 570442839 /nfs/dbraw/zinc/44/28/39/570442839.db2.gz KJFNQAUVKOOZIP-FQEVSTJZSA-N 0 0 396.531 4.016 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C)cc1 ZINC000223116339 570444270 /nfs/dbraw/zinc/44/42/70/570444270.db2.gz LSZBRPKWDMTWML-MOPGFXCFSA-N 0 0 398.522 4.399 40 0 GIABRN Cc1cccc(Nc2nc(O)c(CC(=O)Nc3ccc(Cl)cc3C)s2)c1 ZINC000005553819 570445966 /nfs/dbraw/zinc/44/59/66/570445966.db2.gz PEQYMJRUUIXUPT-INIZCTEOSA-N 0 0 387.892 4.396 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000223150661 570447181 /nfs/dbraw/zinc/44/71/81/570447181.db2.gz LDDVAJFEEZEOFR-HXUWFJFHSA-N 0 0 386.923 4.053 40 0 GIABRN COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc3c(c2)CCC3)c(OC)c1OC ZINC000223157624 570447274 /nfs/dbraw/zinc/44/72/74/570447274.db2.gz PNEKPXUIDDJDIY-HFBDAHEESA-N 0 0 381.472 4.092 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccccc1 ZINC000223179008 570448733 /nfs/dbraw/zinc/44/87/33/570448733.db2.gz LLUCFYWNIQBKHF-OAQYLSRUSA-N 0 0 396.531 4.096 40 0 GIABRN Cc1ccc2[nH]c(C3CCN(CC(=O)Nc4ccccc4Cl)CC3)nc2c1 ZINC000005626065 570449566 /nfs/dbraw/zinc/44/95/66/570449566.db2.gz STBDIQCBGRBNIN-UHFFFAOYSA-N 0 0 382.895 4.343 40 0 GIABRN CC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000005638327 570449795 /nfs/dbraw/zinc/44/97/95/570449795.db2.gz ZCZPSPDDBCNLFU-UHFFFAOYSA-N 0 0 386.517 4.237 40 0 GIABRN O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(N2CCCC2=O)cc1 ZINC000223251182 570453273 /nfs/dbraw/zinc/45/32/73/570453273.db2.gz VVHPXBLSNPSMCY-UHFFFAOYSA-N 0 0 392.883 4.478 40 0 GIABRN CCCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cccnc1 ZINC000035288841 570456412 /nfs/dbraw/zinc/45/64/12/570456412.db2.gz OUSTUJHONZUVBJ-UHFFFAOYSA-N 0 0 387.896 4.134 40 0 GIABRN O=C(NC1C[C@H]2CCC[C@@H](C1)N2C(=O)Nc1ccc(F)cc1)c1ccc(F)cc1 ZINC000035290372 570456934 /nfs/dbraw/zinc/45/69/34/570456934.db2.gz ZAFZQHJLNJRFKO-IHWFROFDSA-N 0 0 399.441 4.312 40 0 GIABRN COCCN(Cc1cc2cc(OC)ccc2nc1Cl)C(=O)c1ccccc1 ZINC000035290183 570456954 /nfs/dbraw/zinc/45/69/54/570456954.db2.gz KFBVWDQKWUWXRR-UHFFFAOYSA-N 0 0 384.863 4.186 40 0 GIABRN COCCN(Cc1cc2cc(C)cc(C)c2nc1Cl)C(=O)c1cccnc1 ZINC000035290180 570456966 /nfs/dbraw/zinc/45/69/66/570456966.db2.gz GAUJRAJRXZOBBB-UHFFFAOYSA-N 0 0 383.879 4.189 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)NC(C)C ZINC000223302506 570457173 /nfs/dbraw/zinc/45/71/73/570457173.db2.gz NUKJANPDHNIXHN-QFIPXVFZSA-N 0 0 394.515 4.500 40 0 GIABRN CC(C)NC(=O)CSc1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000035291057 570459330 /nfs/dbraw/zinc/45/93/30/570459330.db2.gz POJQODACZHLSRU-UHFFFAOYSA-N 0 0 391.899 4.494 40 0 GIABRN CCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000223338617 570459676 /nfs/dbraw/zinc/45/96/76/570459676.db2.gz SJOXFMFQIUAPBK-DEOSSOPVSA-N 0 0 386.495 4.483 40 0 GIABRN CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)O[C@H](C)CC)C3=O)c[nH]c21 ZINC000008088004 570459918 /nfs/dbraw/zinc/45/99/18/570459918.db2.gz UMNWYSGXEBDLNC-DZZSIBQASA-N 0 0 386.473 4.108 40 0 GIABRN CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)O[C@@H](C)CC)C3=O)c[nH]c21 ZINC000008088001 570459967 /nfs/dbraw/zinc/45/99/67/570459967.db2.gz UMNWYSGXEBDLNC-PFSWGADMSA-N 0 0 386.473 4.108 40 0 GIABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)c(Cl)c1 ZINC000005895516 570460743 /nfs/dbraw/zinc/46/07/43/570460743.db2.gz SSJAJUGLZWWOSV-UHFFFAOYSA-N 0 0 389.908 4.370 40 0 GIABRN Cc1ccc(NC(=S)N2CCC(NC(=O)c3ccccc3C)CC2)cc1C ZINC000035291902 570461042 /nfs/dbraw/zinc/46/10/42/570461042.db2.gz RENGHBXNDQQTSP-UHFFFAOYSA-N 0 0 381.545 4.203 40 0 GIABRN COc1cc(C)c([C@@H](C)NS(=O)(=O)c2cc(F)ccc2OC)cc1C(C)C ZINC000223375429 570462583 /nfs/dbraw/zinc/46/25/83/570462583.db2.gz BWSNFKJLNHYWNJ-CQSZACIVSA-N 0 0 395.496 4.314 40 0 GIABRN COc1cc(C)c([C@H](C)NS(=O)(=O)c2cc(F)ccc2OC)cc1C(C)C ZINC000223375373 570462707 /nfs/dbraw/zinc/46/27/07/570462707.db2.gz BWSNFKJLNHYWNJ-AWEZNQCLSA-N 0 0 395.496 4.314 40 0 GIABRN COCCCOc1c(C[NH2+]C2CCCCC2)c(C)nn1-c1ccc(F)cc1F ZINC000536555949 570465274 /nfs/dbraw/zinc/46/52/74/570465274.db2.gz JCXSOLIJRMMWHV-UHFFFAOYSA-N 0 0 393.478 4.297 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1Cc1cccnc1 ZINC000223448299 570466687 /nfs/dbraw/zinc/46/66/87/570466687.db2.gz QEMSPYDLTPPXRB-IAGOWNOFSA-N 0 0 386.933 4.364 40 0 GIABRN CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C ZINC000223492524 570468640 /nfs/dbraw/zinc/46/86/40/570468640.db2.gz VNPCHWWKZFTHMK-LEWJYISDSA-N 0 0 391.544 4.088 40 0 GIABRN COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1 ZINC000223494172 570468667 /nfs/dbraw/zinc/46/86/67/570468667.db2.gz ZWUYTDWAWYNBHF-CQSZACIVSA-N 0 0 395.908 4.091 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223505121 570469205 /nfs/dbraw/zinc/46/92/05/570469205.db2.gz GAUMZPSPGLRVCB-IBGZPJMESA-N 0 0 398.572 4.090 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223564674 570471509 /nfs/dbraw/zinc/47/15/09/570471509.db2.gz NQOFRZWMAFGCIC-QFIPXVFZSA-N 0 0 380.532 4.343 40 0 GIABRN COc1cccc2cc(C(=O)Nc3ccccc3N3CCCCC3)c(=O)oc21 ZINC000035311281 570471550 /nfs/dbraw/zinc/47/15/50/570471550.db2.gz FGOHVKQVGOHSHT-UHFFFAOYSA-N 0 0 378.428 4.044 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1cccc(C)c1 ZINC000223590236 570473239 /nfs/dbraw/zinc/47/32/39/570473239.db2.gz NOBOMLYTRNZUEN-IBGZPJMESA-N 0 0 398.572 4.090 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 ZINC000223604605 570473678 /nfs/dbraw/zinc/47/36/78/570473678.db2.gz WPWRIPGDMHRUTI-JOCHJYFZSA-N 0 0 396.531 4.098 40 0 GIABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)cc3Br)CC2=O)cc1 ZINC000026643787 570474095 /nfs/dbraw/zinc/47/40/95/570474095.db2.gz ZXNYQTIDRNERJQ-AWEZNQCLSA-N 0 0 387.277 4.058 40 0 GIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCOc1ccc2ccccc2c1 ZINC000223623159 570475079 /nfs/dbraw/zinc/47/50/79/570475079.db2.gz FQYIQPPMWUQMTP-JOCHJYFZSA-N 0 0 379.456 4.201 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223640375 570476383 /nfs/dbraw/zinc/47/63/83/570476383.db2.gz CHUOJJFNNLMGQV-LJQANCHMSA-N 0 0 398.572 4.339 40 0 GIABRN CC(C)(C)c1ccccc1OCCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000223692273 570479275 /nfs/dbraw/zinc/47/92/75/570479275.db2.gz RLKAXARKUMLQEH-UHFFFAOYSA-N 0 0 383.513 4.495 40 0 GIABRN CCOc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000000780398 570479743 /nfs/dbraw/zinc/47/97/43/570479743.db2.gz PQOUMJNOOISUMS-UHFFFAOYSA-N 0 0 386.879 4.230 40 0 GIABRN CC(=O)Nc1ccc2nc(NC(=O)COc3cc(C)ccc3C(C)C)oc2c1 ZINC000006473268 570481205 /nfs/dbraw/zinc/48/12/05/570481205.db2.gz GYFULGBUMRCYEU-UHFFFAOYSA-N 0 0 381.432 4.236 40 0 GIABRN COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000006515738 570482379 /nfs/dbraw/zinc/48/23/79/570482379.db2.gz FEVILOMDJCZKBR-UHFFFAOYSA-N 0 0 383.517 4.058 40 0 GIABRN O=C(COC(=O)c1ccccc1F)Nc1ccc(Br)c(Cl)c1 ZINC000006528641 570482811 /nfs/dbraw/zinc/48/28/11/570482811.db2.gz ARXYCRCGGAVXQC-UHFFFAOYSA-N 0 0 386.604 4.037 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000223769671 570483772 /nfs/dbraw/zinc/48/37/72/570483772.db2.gz ORRGTUQFCNFAPE-AWEZNQCLSA-N 0 0 393.314 4.089 40 0 GIABRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3)SC2=S)c(Cl)c1 ZINC000008369836 570485611 /nfs/dbraw/zinc/48/56/11/570485611.db2.gz BMFGUZPFGACXCC-XNTDXEJSSA-N 0 0 388.901 4.195 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223814137 570485670 /nfs/dbraw/zinc/48/56/70/570485670.db2.gz LYDFLJNMJWNURW-GOSISDBHSA-N 0 0 396.506 4.153 40 0 GIABRN COC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2C(C)C)ccc1Cl ZINC000223830492 570486189 /nfs/dbraw/zinc/48/61/89/570486189.db2.gz CBQFHUHTJGRGDR-UHFFFAOYSA-N 0 0 381.881 4.359 40 0 GIABRN COc1ccc(-c2nnsc2C(=O)OCc2c(F)cccc2Cl)cc1 ZINC000223838946 570486541 /nfs/dbraw/zinc/48/65/41/570486541.db2.gz CGAICQJWGNGSCB-UHFFFAOYSA-N 0 0 378.812 4.363 40 0 GIABRN O=C(OCc1ccc(Br)cc1)c1snnc1-c1cccs1 ZINC000223847521 570487215 /nfs/dbraw/zinc/48/72/15/570487215.db2.gz UKBYFQKZQGIOTN-UHFFFAOYSA-N 0 0 381.276 4.386 40 0 GIABRN CC[C@H](NS(=O)(=O)c1c(C)cc(OC)cc1C)c1ccc(OC)c(C)c1 ZINC000223902553 570489608 /nfs/dbraw/zinc/48/96/08/570489608.db2.gz GTCJEYXTALOZPC-SFHVURJKSA-N 0 0 377.506 4.059 40 0 GIABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC(C(C)C)C(C)C)c1 ZINC000223936138 570490955 /nfs/dbraw/zinc/49/09/55/570490955.db2.gz WUFAZCGSPPNNAI-UHFFFAOYSA-N 0 0 388.533 4.206 40 0 GIABRN Cc1cccc(OCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1C ZINC000223933447 570491035 /nfs/dbraw/zinc/49/10/35/570491035.db2.gz OWZPBUMZLOVAMI-UHFFFAOYSA-N 0 0 388.316 4.109 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCCC3=CCCCC3)c2)c1 ZINC000223948227 570491486 /nfs/dbraw/zinc/49/14/86/570491486.db2.gz KKZSTUMXWXZLEH-UHFFFAOYSA-N 0 0 398.528 4.416 40 0 GIABRN CCCC[C@H](CC)CNC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000224053784 570496769 /nfs/dbraw/zinc/49/67/69/570496769.db2.gz FIAALKYFLQQXJT-IBGZPJMESA-N 0 0 396.597 4.182 40 0 GIABRN CCC(C)(C)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224054968 570496780 /nfs/dbraw/zinc/49/67/80/570496780.db2.gz SPJUMYWKCYQKCU-UHFFFAOYSA-N 0 0 394.924 4.368 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1C ZINC000224074890 570497268 /nfs/dbraw/zinc/49/72/68/570497268.db2.gz PDRLXRVZEQRZOZ-QHCPKHFHSA-N 0 0 394.559 4.304 40 0 GIABRN COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(COc2ccccc2)c1 ZINC000224089153 570498092 /nfs/dbraw/zinc/49/80/92/570498092.db2.gz OVKUMVHEXMOXJE-UHFFFAOYSA-N 0 0 391.423 4.313 40 0 GIABRN Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(C)c3)c2)c1 ZINC000224129649 570500167 /nfs/dbraw/zinc/50/01/67/570500167.db2.gz RIOQQLUYPLXJOG-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN Cc1ccc(C)c(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224136275 570500499 /nfs/dbraw/zinc/50/04/99/570500499.db2.gz UTWSJXSMIPPMPK-OAQYLSRUSA-N 0 0 394.559 4.344 40 0 GIABRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(O[C@H](C)CC)cc2)C1=O ZINC000007071387 570500568 /nfs/dbraw/zinc/50/05/68/570500568.db2.gz UAVQZERGUJBFEX-VWSNEOMBSA-N 0 0 391.489 4.242 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccnc2)N1c1ccccc1 ZINC000224154021 570501096 /nfs/dbraw/zinc/50/10/96/570501096.db2.gz LGXCBCHJBVMOOO-FCHUYYIVSA-N 0 0 397.507 4.444 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224161446 570501614 /nfs/dbraw/zinc/50/16/14/570501614.db2.gz AZLSFZGMPSOMRX-NRFANRHFSA-N 0 0 394.559 4.426 40 0 GIABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2cccc(C)c2)cc1 ZINC000224168773 570501966 /nfs/dbraw/zinc/50/19/66/570501966.db2.gz IOHLMIPPKGHNPT-ZHZULCJRSA-N 0 0 392.480 4.475 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(CC)cc1 ZINC000224173402 570502218 /nfs/dbraw/zinc/50/22/18/570502218.db2.gz DDBVCCKJZOZZFY-HSZRJFAPSA-N 0 0 394.559 4.434 40 0 GIABRN COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(C)cc1 ZINC000224198257 570503379 /nfs/dbraw/zinc/50/33/79/570503379.db2.gz RIGUMUCYSIKXIM-LEWJYISDSA-N 0 0 392.528 4.015 40 0 GIABRN O=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2ccccc2F)CC1 ZINC000007366998 570503508 /nfs/dbraw/zinc/50/35/08/570503508.db2.gz PRQJLAURBGLKRV-UHFFFAOYSA-N 0 0 390.458 4.367 40 0 GIABRN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 ZINC000000875827 570503882 /nfs/dbraw/zinc/50/38/82/570503882.db2.gz GCCJTIUFPGOJMW-BETUJISGSA-N 0 0 395.912 4.184 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCCOc1ccccc1 ZINC000224209930 570503920 /nfs/dbraw/zinc/50/39/20/570503920.db2.gz FICRJQZIWXQEJR-QFIPXVFZSA-N 0 0 396.531 4.098 40 0 GIABRN COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1cccc(C)c1 ZINC000224230528 570504715 /nfs/dbraw/zinc/50/47/15/570504715.db2.gz PBWBTKBUPXCHGH-RTWAWAEBSA-N 0 0 392.528 4.015 40 0 GIABRN Cc1cc(OCC(=O)NC[C@H](C)c2ccccc2)cc(C)c1Br ZINC000224243936 570505349 /nfs/dbraw/zinc/50/53/49/570505349.db2.gz XDCQBZJVFCWZKB-HNNXBMFYSA-N 0 0 376.294 4.365 40 0 GIABRN COCc1cccc(NC(=O)COc2cc(C)c(Br)c(C)c2)c1 ZINC000224244820 570505371 /nfs/dbraw/zinc/50/53/71/570505371.db2.gz WBBKAJZPJMVPDL-UHFFFAOYSA-N 0 0 378.266 4.230 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccccc3)c2)cc1 ZINC000224259713 570505872 /nfs/dbraw/zinc/50/58/72/570505872.db2.gz GKEXSZOYALXKTF-UHFFFAOYSA-N 0 0 380.469 4.072 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000224255021 570506039 /nfs/dbraw/zinc/50/60/39/570506039.db2.gz GLMGFCFAMHTZDW-JOCHJYFZSA-N 0 0 380.532 4.098 40 0 GIABRN CCC[C@@H](C)NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224272145 570506870 /nfs/dbraw/zinc/50/68/70/570506870.db2.gz PYHWNBLLZLLKSB-CQSZACIVSA-N 0 0 394.924 4.084 40 0 GIABRN Cc1ccc(C(=O)Nc2ccccc2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000224287942 570507555 /nfs/dbraw/zinc/50/75/55/570507555.db2.gz ITYWRVVFBFBXAN-UHFFFAOYSA-N 0 0 380.469 4.072 40 0 GIABRN COc1ccc(Cl)cc1S(=O)(=O)NCCCc1ccc(C(C)C)cc1 ZINC000224296494 570507787 /nfs/dbraw/zinc/50/77/87/570507787.db2.gz ZYJBVAZHVHSIDB-UHFFFAOYSA-N 0 0 381.925 4.383 40 0 GIABRN COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccccc3Cl)o2)c1 ZINC000000882314 570508293 /nfs/dbraw/zinc/50/82/93/570508293.db2.gz MBZWPWKCNUYYHK-UHFFFAOYSA-N 0 0 390.848 4.382 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000224311999 570508652 /nfs/dbraw/zinc/50/86/52/570508652.db2.gz YICIEOMGIJHVNT-SFHVURJKSA-N 0 0 396.597 4.179 40 0 GIABRN Cc1cccc(OCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 ZINC000224336603 570509719 /nfs/dbraw/zinc/50/97/19/570509719.db2.gz JJHPZFMRKDATLT-UHFFFAOYSA-N 0 0 386.495 4.367 40 0 GIABRN CCN1CCN(C(=O)c2ccc(OC)c(CSc3ccc(C)cc3)c2)CC1 ZINC000224341818 570509743 /nfs/dbraw/zinc/50/97/43/570509743.db2.gz HWCQRFOZVGFECZ-UHFFFAOYSA-N 0 0 384.545 4.074 40 0 GIABRN CCN(c1ccc(C(=O)Nc2cccc(F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000224358709 570510509 /nfs/dbraw/zinc/51/05/09/570510509.db2.gz UXECKJRIZRHKFZ-UHFFFAOYSA-N 0 0 398.459 4.293 40 0 GIABRN CCOc1ccc2cc3c(N)c(C(=O)Nc4ccccc4O)sc3nc2c1 ZINC000000891600 570512449 /nfs/dbraw/zinc/51/24/49/570512449.db2.gz ZVPIUDXBPDPLHX-UHFFFAOYSA-N 0 0 379.441 4.388 40 0 GIABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2C)c1 ZINC000000894656 570512937 /nfs/dbraw/zinc/51/29/37/570512937.db2.gz WGEVFVUXSYOFII-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccccc2Br)CC1 ZINC000007724525 570513410 /nfs/dbraw/zinc/51/34/10/570513410.db2.gz WPRSBHWVVURLFH-UHFFFAOYSA-N 0 0 393.712 4.373 40 0 GIABRN Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)N3CCCCCC3)n12 ZINC000000903024 570514785 /nfs/dbraw/zinc/51/47/85/570514785.db2.gz ACXIPBBAIJUDOG-UHFFFAOYSA-N 0 0 382.533 4.302 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)COc3ccc(Cl)c(C)c3)n2)c1 ZINC000007759472 570514957 /nfs/dbraw/zinc/51/49/57/570514957.db2.gz BIPUWTOGSZNTQG-UHFFFAOYSA-N 0 0 385.851 4.044 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc[nH]2)N1c1ccc(Br)cc1 ZINC000224484707 570515206 /nfs/dbraw/zinc/51/52/06/570515206.db2.gz GLYZPBRJFYXIBL-IRXDYDNUSA-N 0 0 399.317 4.349 40 0 GIABRN CCOc1ccc(C(=O)N2CCOCC2)cc1COc1ccccc1C(C)(C)C ZINC000224513998 570516041 /nfs/dbraw/zinc/51/60/41/570516041.db2.gz KLMOBZURINDTIZ-UHFFFAOYSA-N 0 0 397.515 4.434 40 0 GIABRN O=C(CCCN1C(=O)c2cccc3cccc1c23)NCCc1ccc(F)cc1 ZINC000224556527 570518229 /nfs/dbraw/zinc/51/82/29/570518229.db2.gz CAEVSCKMDFIGMH-UHFFFAOYSA-N 0 0 376.431 4.078 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 ZINC000224585778 570519443 /nfs/dbraw/zinc/51/94/43/570519443.db2.gz FZLGWNVIPBUNFZ-QHCPKHFHSA-N 0 0 394.559 4.426 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1F ZINC000224593008 570519687 /nfs/dbraw/zinc/51/96/87/570519687.db2.gz HVMGHNZMSLPMDH-JOCHJYFZSA-N 0 0 398.522 4.256 40 0 GIABRN O=C1NC(=O)C(=Cc2ccc(OCc3ccccc3)c(Br)c2)S1 ZINC000212841613 570521712 /nfs/dbraw/zinc/52/17/12/570521712.db2.gz ZHTWLVLIEMMKTH-OQLLNIDSSA-N 0 0 390.258 4.352 40 0 GIABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000224645314 570522499 /nfs/dbraw/zinc/52/24/99/570522499.db2.gz HJJFNDUULNVXDS-FQEVSTJZSA-N 0 0 392.543 4.485 40 0 GIABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCN2CCc3ccccc32)c1 ZINC000224668833 570523453 /nfs/dbraw/zinc/52/34/53/570523453.db2.gz FRYKPOGEZBQJOF-LJQANCHMSA-N 0 0 380.532 4.455 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3C)c2)cc1 ZINC000008206964 570524130 /nfs/dbraw/zinc/52/41/30/570524130.db2.gz FSZPOIUQVBZUIU-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN CCOC(=O)[C@H](CC)Sc1nnc(COc2ccc(Cl)c(C)c2)n1CC ZINC000000916103 570524905 /nfs/dbraw/zinc/52/49/05/570524905.db2.gz SSYURZWPMKDDES-HNNXBMFYSA-N 0 0 397.928 4.273 40 0 GIABRN CSc1ccc(S(=O)(=O)Nc2ccccc2C)cc1NC(=O)C(C)C ZINC000224713489 570526569 /nfs/dbraw/zinc/52/65/69/570526569.db2.gz VDYFYSKIUXTMFA-UHFFFAOYSA-N 0 0 378.519 4.112 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 ZINC000224727605 570526970 /nfs/dbraw/zinc/52/69/70/570526970.db2.gz XJKCTYXNTNBHSV-HXUWFJFHSA-N 0 0 380.532 4.180 40 0 GIABRN CCCC[C@H](CC)CNC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O ZINC000224742961 570528657 /nfs/dbraw/zinc/52/86/57/570528657.db2.gz IOLOMQJLAQJGSZ-IBGZPJMESA-N 0 0 396.597 4.182 40 0 GIABRN Fc1cc(Br)ccc1NC(=S)NCCSCc1ccco1 ZINC000225348102 570566403 /nfs/dbraw/zinc/56/64/03/570566403.db2.gz SCVRPDSVDYSETB-UHFFFAOYSA-N 0 0 389.315 4.401 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000224805670 570531885 /nfs/dbraw/zinc/53/18/85/570531885.db2.gz FFDZSFRIRQNOAW-QGZVFWFLSA-N 0 0 386.923 4.134 40 0 GIABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)o2)c1 ZINC000224826904 570532880 /nfs/dbraw/zinc/53/28/80/570532880.db2.gz FDIXEHFOFOBQDK-UXHICEINSA-N 0 0 395.484 4.177 40 0 GIABRN COc1cccc(-c2cnc(CCC(=O)N[C@H](C)CCc3ccccc3)o2)c1 ZINC000224850997 570534148 /nfs/dbraw/zinc/53/41/48/570534148.db2.gz SFLYZBXBVAVAFP-QGZVFWFLSA-N 0 0 378.472 4.420 40 0 GIABRN C[C@@H]1CC[C@@H](C)N(C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)C1 ZINC000000918195 570534399 /nfs/dbraw/zinc/53/43/99/570534399.db2.gz XSNOFYJMPPDSQK-VXGBXAGGSA-N 0 0 392.381 4.269 40 0 GIABRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)n1C ZINC000224864769 570535106 /nfs/dbraw/zinc/53/51/06/570535106.db2.gz SEXVUBVAZMLDKD-RBUKOAKNSA-N 0 0 398.919 4.265 40 0 GIABRN CCC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224866977 570535116 /nfs/dbraw/zinc/53/51/16/570535116.db2.gz JXMOEHQHVLENKR-QHCPKHFHSA-N 0 0 392.543 4.404 40 0 GIABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)n1C ZINC000224894463 570537001 /nfs/dbraw/zinc/53/70/01/570537001.db2.gz VEAMFGBDNNMAQV-PMACEKPBSA-N 0 0 380.492 4.353 40 0 GIABRN COc1ccc(S(=O)(=O)NC(C)(C)Cc2ccccc2)c(Cl)c1Cl ZINC000224936491 570538656 /nfs/dbraw/zinc/53/86/56/570538656.db2.gz WSWRYMFFVDWTHR-UHFFFAOYSA-N 0 0 388.316 4.302 40 0 GIABRN Cc1cc2cc3c(cc2nc1SCC(=O)Nc1cccc(F)c1)OCCO3 ZINC000000928322 570538780 /nfs/dbraw/zinc/53/87/80/570538780.db2.gz DLTMNEICVUPBET-UHFFFAOYSA-N 0 0 384.432 4.184 40 0 GIABRN Cc1cc2cc3c(cc2nc1SCC(=O)N1[C@H](C)CCC[C@@H]1C)OCCO3 ZINC000000928314 570538797 /nfs/dbraw/zinc/53/87/97/570538797.db2.gz GUXXHKDTEQIVJF-GASCZTMLSA-N 0 0 386.517 4.196 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000224963043 570540040 /nfs/dbraw/zinc/54/00/40/570540040.db2.gz OVUMDUYHOLFNER-NRFANRHFSA-N 0 0 397.515 4.399 40 0 GIABRN CCCC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224956484 570540139 /nfs/dbraw/zinc/54/01/39/570540139.db2.gz ILIIRJCHRKKFRE-NRFANRHFSA-N 0 0 384.495 4.090 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000224994781 570542130 /nfs/dbraw/zinc/54/21/30/570542130.db2.gz BFXLOOLDHLCGQI-PMACEKPBSA-N 0 0 380.532 4.260 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000224994733 570542199 /nfs/dbraw/zinc/54/21/99/570542199.db2.gz BFXLOOLDHLCGQI-UXHICEINSA-N 0 0 380.532 4.260 40 0 GIABRN COc1ccc2cc(C)c(SCC(=O)Nc3ccc(N(C)C)cc3)nc2c1 ZINC000000932994 570542486 /nfs/dbraw/zinc/54/24/86/570542486.db2.gz FCQSNSQPBQHOEA-UHFFFAOYSA-N 0 0 381.501 4.349 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1C1CCCC1 ZINC000225006522 570542942 /nfs/dbraw/zinc/54/29/42/570542942.db2.gz QPNSQEJTUMLRCJ-RTWAWAEBSA-N 0 0 389.528 4.182 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl ZINC000225010832 570543417 /nfs/dbraw/zinc/54/34/17/570543417.db2.gz LSTHHPFYHDGHRC-SJORKVTESA-N 0 0 386.923 4.215 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1C ZINC000225010077 570543433 /nfs/dbraw/zinc/54/34/33/570543433.db2.gz YTFLHKQLQQBMFF-VQTJNVASSA-N 0 0 396.531 4.014 40 0 GIABRN COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C ZINC000225013525 570543847 /nfs/dbraw/zinc/54/38/47/570543847.db2.gz OFAORFPIBRKHKI-SFTDATJTSA-N 0 0 398.576 4.061 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 ZINC000225052362 570545237 /nfs/dbraw/zinc/54/52/37/570545237.db2.gz GJFIDOVKOYRUTH-UXHICEINSA-N 0 0 380.532 4.178 40 0 GIABRN Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000000976227 570545613 /nfs/dbraw/zinc/54/56/13/570545613.db2.gz HZULKSRVICSPEM-UHFFFAOYSA-N 0 0 388.496 4.290 40 0 GIABRN CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)c(C)c1 ZINC000225066163 570546596 /nfs/dbraw/zinc/54/65/96/570546596.db2.gz KZZZJRNHNZIFEB-UHFFFAOYSA-N 0 0 383.469 4.150 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl ZINC000225101653 570548853 /nfs/dbraw/zinc/54/88/53/570548853.db2.gz CRSIOCPXYNNNMJ-HXUWFJFHSA-N 0 0 386.923 4.216 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1C ZINC000225101315 570548917 /nfs/dbraw/zinc/54/89/17/570548917.db2.gz KTUYVXWBSALJPQ-NRFANRHFSA-N 0 0 396.531 4.016 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225117062 570550154 /nfs/dbraw/zinc/55/01/54/570550154.db2.gz LYWIDDFIDRIVJX-NHCUHLMSSA-N 0 0 394.559 4.486 40 0 GIABRN CCn1c(=O)sc2cc(NC(=O)CSCc3ccccc3F)ccc21 ZINC000225120962 570550260 /nfs/dbraw/zinc/55/02/60/570550260.db2.gz WGOIDWRSSFLSIX-UHFFFAOYSA-N 0 0 376.478 4.094 40 0 GIABRN CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc3c(c2)sc(=O)n3CC)cc1 ZINC000225121727 570550657 /nfs/dbraw/zinc/55/06/57/570550657.db2.gz DPDZJLQBSQQTBV-SFHVURJKSA-N 0 0 384.501 4.441 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C ZINC000225123696 570550671 /nfs/dbraw/zinc/55/06/71/570550671.db2.gz HSMJHVSRCREWRC-SFTDATJTSA-N 0 0 394.559 4.486 40 0 GIABRN COc1cccc([C@H]2c3cc4c(cc3O[C@@](C)(N3CCCC3)[C@@H]2C)OCO4)c1O ZINC000035361736 570551986 /nfs/dbraw/zinc/55/19/86/570551986.db2.gz LDJUMRJNYFZQRI-ZQQNNKCXSA-N 0 0 397.471 4.102 40 0 GIABRN C[C@H]1CN(C[C@H](O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)C[C@H](C)O1 ZINC000035354140 570552142 /nfs/dbraw/zinc/55/21/42/570552142.db2.gz PIGXXTGSOQVEQT-LNLFQRSKSA-N 0 0 377.569 4.131 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000225172162 570553587 /nfs/dbraw/zinc/55/35/87/570553587.db2.gz UDBJOLZHKIMAOQ-DLBZAZTESA-N 0 0 386.923 4.215 40 0 GIABRN Oc1cccc(CN2CCN(C(=S)Nc3ccc(Cl)cc3Cl)CC2)c1 ZINC000225220036 570557601 /nfs/dbraw/zinc/55/76/01/570557601.db2.gz QUJJTCZAYTXJEF-UHFFFAOYSA-N 0 0 396.343 4.214 40 0 GIABRN CCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225248095 570559204 /nfs/dbraw/zinc/55/92/04/570559204.db2.gz HQUCWBLQYRPLBP-HSZRJFAPSA-N 0 0 392.543 4.485 40 0 GIABRN CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(OC)cc1 ZINC000009665602 570560380 /nfs/dbraw/zinc/56/03/80/570560380.db2.gz OIKMQXZWHCVPMJ-UHFFFAOYSA-N 0 0 396.516 4.018 40 0 GIABRN CCc1ccc([C@H](C)NC(=O)c2ccccc2I)cc1 ZINC000036623388 570561031 /nfs/dbraw/zinc/56/10/31/570561031.db2.gz JKOFEOMCLWXHDB-LBPRGKRZSA-N 0 0 379.241 4.345 40 0 GIABRN COc1ccccc1N1CCN(C(=S)Nc2cccc(C)c2Cl)CC1 ZINC000009877153 570562292 /nfs/dbraw/zinc/56/22/92/570562292.db2.gz WEQKKUOYIBZSNN-UHFFFAOYSA-N 0 0 375.925 4.176 40 0 GIABRN Cc1cc2nnc(SCC(=O)N3CCCc4ccccc43)n2c2ccccc12 ZINC000001221470 570564288 /nfs/dbraw/zinc/56/42/88/570564288.db2.gz NSEGCHRPNWPRTF-UHFFFAOYSA-N 0 0 388.496 4.262 40 0 GIABRN Cc1ccc(C(=O)CSc2nnc(COc3cccc4cccnc43)o2)cc1 ZINC000001223321 570565108 /nfs/dbraw/zinc/56/51/08/570565108.db2.gz BLNVPVBRBVPWPF-UHFFFAOYSA-N 0 0 391.452 4.480 40 0 GIABRN CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1 ZINC000225335506 570565305 /nfs/dbraw/zinc/56/53/05/570565305.db2.gz PCQXZUBZIOPRKK-UXHICEINSA-N 0 0 378.501 4.374 40 0 GIABRN Cc1cccc(CSCCNC(=S)Nc2cccc(N3CCCC3=O)c2)c1 ZINC000225339151 570565492 /nfs/dbraw/zinc/56/54/92/570565492.db2.gz DGMHZZFNWKAPGW-UHFFFAOYSA-N 0 0 399.585 4.342 40 0 GIABRN Cc1nn(-c2nc3ccccc3s2)c2c1C(=O)C[C@H](c1ccccc1O)C2 ZINC000010157236 570566240 /nfs/dbraw/zinc/56/62/40/570566240.db2.gz OLLSDFAOOSORGI-CYBMUJFWSA-N 0 0 375.453 4.409 40 0 GIABRN CCc1ccc2nc(Nc3nc(-c4ccccc4OC)cc(=O)[nH]3)nc(C)c2c1 ZINC000010157427 570566483 /nfs/dbraw/zinc/56/64/83/570566483.db2.gz LVBDLFKMEDLCNP-UHFFFAOYSA-N 0 0 387.443 4.003 40 0 GIABRN CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1 ZINC000225357796 570567095 /nfs/dbraw/zinc/56/70/95/570567095.db2.gz GOJLBOGRZUCRSA-NHCUHLMSSA-N 0 0 392.528 4.384 40 0 GIABRN Cc1ccc(-n2ncc3c2ncn(Cc2ccc(Cl)cc2Cl)c3=O)cc1 ZINC000001330671 570568182 /nfs/dbraw/zinc/56/81/82/570568182.db2.gz RNDQYQOFNVCBLL-UHFFFAOYSA-N 0 0 385.254 4.246 40 0 GIABRN CCOC(=O)c1cccc(NC(=O)CSc2nc(CC)nc3ccccc32)c1 ZINC000001332524 570568756 /nfs/dbraw/zinc/56/87/56/570568756.db2.gz AWPNPZRAXJYLLP-UHFFFAOYSA-N 0 0 395.484 4.100 40 0 GIABRN COc1ccc2c(c1)[C@@H](NC(=O)COc1ccc3c(c1)CCCC3)CC(C)(C)O2 ZINC000225383454 570568860 /nfs/dbraw/zinc/56/88/60/570568860.db2.gz DJMHESRMWVNGGA-NRFANRHFSA-N 0 0 395.499 4.371 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)NCCCc2ccc(C)cc2)c1 ZINC000225388573 570568931 /nfs/dbraw/zinc/56/89/31/570568931.db2.gz YVCMZHPPBUBVCW-UHFFFAOYSA-N 0 0 376.909 4.354 40 0 GIABRN COc1ccc(NC(=O)CSc2nc(C3CC3)nc3ccccc32)c(OC)c1 ZINC000001332627 570569199 /nfs/dbraw/zinc/56/91/99/570569199.db2.gz WVGCEWSHVCUKKG-UHFFFAOYSA-N 0 0 395.484 4.255 40 0 GIABRN O=C(c1cccc(F)c1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000001337258 570570336 /nfs/dbraw/zinc/57/03/36/570570336.db2.gz KWPHHZZMOPXUQC-UHFFFAOYSA-N 0 0 385.439 4.051 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000010516812 570571662 /nfs/dbraw/zinc/57/16/62/570571662.db2.gz MLFHFOMXDLPJJB-UHFFFAOYSA-N 0 0 379.441 4.039 40 0 GIABRN O=C(CSc1ncnc2c1cnn2-c1ccccc1Cl)Nc1ccccc1 ZINC000001346483 570572165 /nfs/dbraw/zinc/57/21/65/570572165.db2.gz DHXWXYRCRSGNTI-UHFFFAOYSA-N 0 0 395.875 4.200 40 0 GIABRN COc1ccccc1NC(=O)Nc1cccn(Cc2ccccc2Cl)c1=O ZINC000001354086 570573871 /nfs/dbraw/zinc/57/38/71/570573871.db2.gz XHZZMNTTZRYNDY-UHFFFAOYSA-N 0 0 383.835 4.203 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225436536 570574131 /nfs/dbraw/zinc/57/41/31/570574131.db2.gz SAFLFVKMYDBYAK-KRWDZBQOSA-N 0 0 384.495 4.045 40 0 GIABRN CC[C@@H](C)C(=O)Nc1nnc(SCC(=O)Nc2ccc(C)c(Cl)c2)s1 ZINC000001371472 570574862 /nfs/dbraw/zinc/57/48/62/570574862.db2.gz COJQNKSZEKYBFH-SECBINFHSA-N 0 0 398.941 4.215 40 0 GIABRN CC[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(OC)c(OC)c1 ZINC000225447403 570575032 /nfs/dbraw/zinc/57/50/32/570575032.db2.gz SKGXDEFLPHUKEY-LJQANCHMSA-N 0 0 383.488 4.020 40 0 GIABRN COc1ccc(NC(=S)NCc2ccccc2-n2ccnc2C)cc1Cl ZINC000225449731 570575352 /nfs/dbraw/zinc/57/53/52/570575352.db2.gz SMUGTWHNHYJGJP-UHFFFAOYSA-N 0 0 386.908 4.329 40 0 GIABRN Cc1ccccc1CSCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)C ZINC000225453955 570575809 /nfs/dbraw/zinc/57/58/09/570575809.db2.gz GPIBVJMSCWZYOA-IBGZPJMESA-N 0 0 398.572 4.170 40 0 GIABRN COc1cccc(-c2noc([C@H]3CCCN(C(=O)c4cccc(C)c4)C3)n2)c1 ZINC000001360496 570576074 /nfs/dbraw/zinc/57/60/74/570576074.db2.gz RTMPVMDEWQIBAP-SFHVURJKSA-N 0 0 377.444 4.073 40 0 GIABRN CCCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1cccnc1 ZINC000001361240 570576134 /nfs/dbraw/zinc/57/61/34/570576134.db2.gz YZOCWNNTIIFZIK-UHFFFAOYSA-N 0 0 381.505 4.098 40 0 GIABRN CCCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1cccnc1 ZINC000001361268 570576445 /nfs/dbraw/zinc/57/64/45/570576445.db2.gz TZTLRGJLWHNOSG-UHFFFAOYSA-N 0 0 387.896 4.134 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000225461176 570576649 /nfs/dbraw/zinc/57/66/49/570576649.db2.gz AVYIGGLKZIEGBR-KNQAVFIVSA-N 0 0 380.532 4.341 40 0 GIABRN COc1ccc(-c2noc([C@H]3CCCN(C(=O)Nc4cccc(C)c4)C3)n2)cc1 ZINC000001362846 570577318 /nfs/dbraw/zinc/57/73/18/570577318.db2.gz XOIVCUCAFYLWGZ-KRWDZBQOSA-N 0 0 392.459 4.465 40 0 GIABRN COc1cccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 ZINC000001363900 570577735 /nfs/dbraw/zinc/57/77/35/570577735.db2.gz JHEPMGVXBURIHQ-INIZCTEOSA-N 0 0 397.862 4.418 40 0 GIABRN CCCn1c(SCC(=O)N2c3ccccc3C[C@H]2C)nnc1-c1ccco1 ZINC000001364330 570578112 /nfs/dbraw/zinc/57/81/12/570578112.db2.gz AKIOFHPEBQERHV-CQSZACIVSA-N 0 0 382.489 4.018 40 0 GIABRN Cc1ccccc1CN(C(=O)Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)C ZINC000225495632 570580209 /nfs/dbraw/zinc/58/02/09/570580209.db2.gz MLMJOGOZOZTHPI-KRWDZBQOSA-N 0 0 386.923 4.133 40 0 GIABRN 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[C@@H]32)C1 ZINC000038544870 570580895 /nfs/dbraw/zinc/58/08/95/570580895.db2.gz TVQDBRRFOFGWDS-NZXYYOKSSA-N 0 0 376.537 4.281 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@H](C)C(=O)NC(C)C)c1 ZINC000225515767 570582585 /nfs/dbraw/zinc/58/25/85/570582585.db2.gz XWBLUAYGZGDTLB-HXUWFJFHSA-N 0 0 380.532 4.096 40 0 GIABRN CCC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000038756021 570582748 /nfs/dbraw/zinc/58/27/48/570582748.db2.gz AAEXVUITIDESHR-CYBMUJFWSA-N 0 0 380.897 4.059 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 ZINC000225526950 570584023 /nfs/dbraw/zinc/58/40/23/570584023.db2.gz LCSJDNRUGROYFH-KNQAVFIVSA-N 0 0 396.531 4.096 40 0 GIABRN Cc1ccc([C@@H](OC(=O)c2cccs2)C(=O)NCc2ccc(F)cc2)cc1 ZINC000001381183 570584059 /nfs/dbraw/zinc/58/40/59/570584059.db2.gz NBBKHVJTFWGEII-LJQANCHMSA-N 0 0 383.444 4.410 40 0 GIABRN COc1ccc(CNC(=O)[C@H](OC(=O)c2cccs2)c2ccccc2F)cc1 ZINC000001381270 570584087 /nfs/dbraw/zinc/58/40/87/570584087.db2.gz VRXBJOJGDYATLX-LJQANCHMSA-N 0 0 399.443 4.110 40 0 GIABRN COc1cccc(CCCNC(=S)Nc2ccc(Br)cc2)c1 ZINC000225552640 570587556 /nfs/dbraw/zinc/58/75/56/570587556.db2.gz ILUPFMBSZAFFCU-UHFFFAOYSA-N 0 0 379.323 4.377 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 ZINC000225577915 570590225 /nfs/dbraw/zinc/59/02/25/570590225.db2.gz QKXGCJYUZFDCRL-QGZVFWFLSA-N 0 0 384.501 4.452 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCCc2cccc(OC(C)C)c2)c(C)c1 ZINC000225586021 570591447 /nfs/dbraw/zinc/59/14/47/570591447.db2.gz OLFFTYDMXUZLMB-UHFFFAOYSA-N 0 0 391.533 4.010 40 0 GIABRN COC(=O)c1cccc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1C ZINC000225615086 570594222 /nfs/dbraw/zinc/59/42/22/570594222.db2.gz XNWSCAXWHQDVKO-UHFFFAOYSA-N 0 0 391.489 4.023 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=S)NCCCOC2CCCCC2)c1 ZINC000225617990 570594655 /nfs/dbraw/zinc/59/46/55/570594655.db2.gz XJDJKXXJZJSPKN-UHFFFAOYSA-N 0 0 378.538 4.198 40 0 GIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000225634898 570596517 /nfs/dbraw/zinc/59/65/17/570596517.db2.gz RTBZDECRLVGOJR-KRWDZBQOSA-N 0 0 399.472 4.018 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 ZINC000225661574 570599196 /nfs/dbraw/zinc/59/91/96/570599196.db2.gz BSFXYOKSQGCSGV-XMSQKQJNSA-N 0 0 398.522 4.399 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 ZINC000225661658 570599444 /nfs/dbraw/zinc/59/94/44/570599444.db2.gz BSFXYOKSQGCSGV-AVRDEDQJSA-N 0 0 398.522 4.399 40 0 GIABRN CCCCCn1ccc2c(cnc3c(-c4ccccc4)c(COC)nn32)c1=O ZINC000040396370 570600517 /nfs/dbraw/zinc/60/05/17/570600517.db2.gz MFYYVNKGZMIBQR-UHFFFAOYSA-N 0 0 376.460 4.048 40 0 GIABRN Cc1nn2c(ncc3c2ccn(CCc2cccs2)c3=O)c1-c1ccccc1 ZINC000040396356 570600715 /nfs/dbraw/zinc/60/07/15/570600715.db2.gz OIWULSSCGFFVMX-UHFFFAOYSA-N 0 0 386.480 4.324 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000225686785 570603359 /nfs/dbraw/zinc/60/33/59/570603359.db2.gz HTRLCULZYKPDRT-LJQANCHMSA-N 0 0 398.522 4.256 40 0 GIABRN CN(C)c1cccc(C(=O)N2CCC(C(=O)c3nc4ccccc4s3)CC2)c1 ZINC000012088708 570607161 /nfs/dbraw/zinc/60/71/61/570607161.db2.gz HGXCQSNSPMOBSV-UHFFFAOYSA-N 0 0 393.512 4.097 40 0 GIABRN CC[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C)c1ccccc1 ZINC000225712784 570607517 /nfs/dbraw/zinc/60/75/17/570607517.db2.gz UPZPBAGBCCLYFW-MRXNPFEDSA-N 0 0 390.530 4.074 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1 ZINC000225712468 570607560 /nfs/dbraw/zinc/60/75/60/570607560.db2.gz FNLVQFQDJSYYCA-QFIPXVFZSA-N 0 0 396.531 4.014 40 0 GIABRN O=C(Cn1ccc(=O)c2cc(Br)ccc21)Nc1cccc(Cl)c1 ZINC000225727838 570609736 /nfs/dbraw/zinc/60/97/36/570609736.db2.gz OPCGMRGAUGHHQF-UHFFFAOYSA-N 0 0 391.652 4.056 40 0 GIABRN C[C@H](Cc1ccc2c(c1)OCO2)c1nc2cnccn2c1NCc1cccs1 ZINC000012113902 570609715 /nfs/dbraw/zinc/60/97/15/570609715.db2.gz KEGOXISWXYZMDH-CQSZACIVSA-N 0 0 392.484 4.478 40 0 GIABRN CC[C@@H](C)[C@H](NC(=O)CCn1nc(C)cc1C)c1nc2cccnc2n1C(C)C ZINC000012114128 570609758 /nfs/dbraw/zinc/60/97/58/570609758.db2.gz FNDVGPLGLLFKBA-QRWLVFNGSA-N 0 0 396.539 4.119 40 0 GIABRN C[C@@H](NC(=O)[C@H](c1ccccc1)C1CCCCC1)c1nc(-c2cccnc2)n[nH]1 ZINC000012114738 570610009 /nfs/dbraw/zinc/61/00/09/570610009.db2.gz RKSZLFSJGIKTHJ-OXQOHEQNSA-N 0 0 389.503 4.408 40 0 GIABRN Cc1c(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)n[nH]c1-c1ccccc1 ZINC000012116831 570611697 /nfs/dbraw/zinc/61/16/97/570611697.db2.gz ZBJIENIYYXDJSD-UHFFFAOYSA-N 0 0 375.407 4.021 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)s1 ZINC000012117265 570612096 /nfs/dbraw/zinc/61/20/96/570612096.db2.gz YMSAGWOHQKVPCN-UHFFFAOYSA-N 0 0 378.501 4.108 40 0 GIABRN Cc1ccc2c(c1)c(=O)ccn2CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000225747502 570612926 /nfs/dbraw/zinc/61/29/26/570612926.db2.gz QQBFRTSUUWWNHV-UHFFFAOYSA-N 0 0 382.463 4.216 40 0 GIABRN COc1cccc(-c2nnsc2C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000225766348 570614602 /nfs/dbraw/zinc/61/46/02/570614602.db2.gz XDENWDRULAURCI-UHFFFAOYSA-N 0 0 379.363 4.485 40 0 GIABRN CCOc1cc(CNC(=S)Nc2cccc(Br)c2)ccc1OC ZINC000225770078 570615177 /nfs/dbraw/zinc/61/51/77/570615177.db2.gz LXGBHXMVTZFBPY-UHFFFAOYSA-N 0 0 395.322 4.343 40 0 GIABRN Cc1c2cc(C)ccc2n(C)c1C(=O)N1CCC[C@](O)(c2ccc(F)cc2)CC1 ZINC000012144224 570615266 /nfs/dbraw/zinc/61/52/66/570615266.db2.gz OWDIAZKZBWSBNT-XMMPIXPASA-N 0 0 394.490 4.448 40 0 GIABRN Cc1cc(OS(=O)(=O)c2ccc(Br)c(C)c2)c2ccccc2n1 ZINC000041097184 570615528 /nfs/dbraw/zinc/61/55/28/570615528.db2.gz KWOPNOOIIVPTCN-UHFFFAOYSA-N 0 0 392.274 4.382 40 0 GIABRN O=C(CSCc1cccc(Cl)c1)NCC1(c2ccccc2)CCOCC1 ZINC000041407912 570616966 /nfs/dbraw/zinc/61/69/66/570616966.db2.gz FKQZMOPBDIGYBZ-UHFFFAOYSA-N 0 0 389.948 4.438 40 0 GIABRN CCOc1ccccc1-c1cc(C(=O)Nc2cccc(-c3csnn3)c2)n[nH]1 ZINC000012147384 570617188 /nfs/dbraw/zinc/61/71/88/570617188.db2.gz GHUCWHPDRWIOSA-UHFFFAOYSA-N 0 0 391.456 4.246 40 0 GIABRN COc1ccccc1OC[C@H](C)NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000225785833 570617280 /nfs/dbraw/zinc/61/72/80/570617280.db2.gz AOEOCVHZFFWTHO-LBPRGKRZSA-N 0 0 384.423 4.468 40 0 GIABRN CCCCNC(=S)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000004132690 570617866 /nfs/dbraw/zinc/61/78/66/570617866.db2.gz JGESHCGXSJVJQI-UHFFFAOYSA-N 0 0 397.544 4.415 40 0 GIABRN Cc1c2cc(C)ccc2n(C)c1C(=O)N1CCC(O)(c2ccccc2C)CC1 ZINC000012148716 570618212 /nfs/dbraw/zinc/61/82/12/570618212.db2.gz LXAVFIZOSKATDG-UHFFFAOYSA-N 0 0 376.500 4.227 40 0 GIABRN O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)NCCc1ccccc1 ZINC000225802786 570618862 /nfs/dbraw/zinc/61/88/62/570618862.db2.gz PJGVCOSKUWTCJZ-UHFFFAOYSA-N 0 0 389.377 4.047 40 0 GIABRN O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1cccc(F)c1 ZINC000225803443 570618933 /nfs/dbraw/zinc/61/89/33/570618933.db2.gz XDQWIEQIXPYRMJ-UHFFFAOYSA-N 0 0 379.313 4.466 40 0 GIABRN CCOC(=O)c1cc(NC(=O)C2(OC)CCCCC2)ccc1OCC(C)C ZINC000225805347 570619321 /nfs/dbraw/zinc/61/93/21/570619321.db2.gz CIMYFGOLUQRRSF-UHFFFAOYSA-N 0 0 377.481 4.186 40 0 GIABRN CN(C)C(=O)c1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)cc1 ZINC000225811123 570620252 /nfs/dbraw/zinc/62/02/52/570620252.db2.gz CICNCNKMEAKFON-UHFFFAOYSA-N 0 0 399.535 4.326 40 0 GIABRN Cc1ncsc1C(=O)N1CCC(c2nc(C)c(-c3ccnc(C)n3)s2)CC1 ZINC000012186195 570620755 /nfs/dbraw/zinc/62/07/55/570620755.db2.gz ZCBANYQNHJXDQF-UHFFFAOYSA-N 0 0 399.545 4.002 40 0 GIABRN CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)cc1C(=O)OCC ZINC000225818800 570621507 /nfs/dbraw/zinc/62/15/07/570621507.db2.gz QRSFSYYZLPGWPP-OAQYLSRUSA-N 0 0 379.497 4.432 40 0 GIABRN COc1ccc2cnc([C@@H]3CCCN(C(=O)c4scnc4C)C3)cc2c1C ZINC000012187931 570621820 /nfs/dbraw/zinc/62/18/20/570621820.db2.gz IHWNSCACSUTILO-MRXNPFEDSA-N 0 0 381.501 4.337 40 0 GIABRN COc1ccc2cnc([C@@H]3CCCN(C(=O)c4c(C)noc4C)C3)cc2c1C ZINC000012187917 570621919 /nfs/dbraw/zinc/62/19/19/570621919.db2.gz ZSXQQIGBRPKGKR-QGZVFWFLSA-N 0 0 379.460 4.176 40 0 GIABRN CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 ZINC000225824680 570621967 /nfs/dbraw/zinc/62/19/67/570621967.db2.gz PJASZPSJGAXDAB-NRFANRHFSA-N 0 0 379.497 4.432 40 0 GIABRN CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 ZINC000225824661 570621984 /nfs/dbraw/zinc/62/19/84/570621984.db2.gz PJASZPSJGAXDAB-OAQYLSRUSA-N 0 0 379.497 4.432 40 0 GIABRN O=C(Cc1ccccc1)N1CCC2(CC1)CC(=O)c1cc3c(cc1O2)CCCC3 ZINC000225825842 570622253 /nfs/dbraw/zinc/62/22/53/570622253.db2.gz NQJIQWVAOROWLQ-UHFFFAOYSA-N 0 0 389.495 4.135 40 0 GIABRN O=C(NCCNc1ncnc2sc3c(c21)CCCC3)c1cccc(Cl)c1 ZINC000004241420 570622577 /nfs/dbraw/zinc/62/25/77/570622577.db2.gz LHCZRBIKEFOHSR-UHFFFAOYSA-N 0 0 386.908 4.065 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@](C)(OCC)C2CC2)ccc1OCC(C)C ZINC000225836169 570623813 /nfs/dbraw/zinc/62/38/13/570623813.db2.gz OVVBYSHKGMZQNP-OAQYLSRUSA-N 0 0 377.481 4.042 40 0 GIABRN CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC)c(C(=O)OCC)c1 ZINC000225840606 570624765 /nfs/dbraw/zinc/62/47/65/570624765.db2.gz ORTXUAZCDRPVPE-OAQYLSRUSA-N 0 0 379.497 4.432 40 0 GIABRN O=C(NCc1nc(-c2ccccc2)no1)C(c1cccs1)c1cccs1 ZINC000012202576 570624977 /nfs/dbraw/zinc/62/49/77/570624977.db2.gz LCOQUULOOGUXNP-UHFFFAOYSA-N 0 0 381.482 4.308 40 0 GIABRN CCCOc1ccccc1CCCNS(=O)(=O)c1cc(C)c(OC)cc1C ZINC000225851659 570626438 /nfs/dbraw/zinc/62/64/38/570626438.db2.gz YCXLIVDOPZFFRK-UHFFFAOYSA-N 0 0 391.533 4.012 40 0 GIABRN CCCO[C@](C)(C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1)C1CC1 ZINC000225857975 570627385 /nfs/dbraw/zinc/62/73/85/570627385.db2.gz NPPPXQHYMVECCR-NRFANRHFSA-N 0 0 377.481 4.184 40 0 GIABRN CC(C)c1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)no1 ZINC000012220460 570627498 /nfs/dbraw/zinc/62/74/98/570627498.db2.gz VEXUCXBZEHRVOJ-GOSISDBHSA-N 0 0 391.475 4.094 40 0 GIABRN CC(C)[C@H](C)NC(=O)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 ZINC000012220105 570627631 /nfs/dbraw/zinc/62/76/31/570627631.db2.gz LFSYQWJNCWUSDX-AWEZNQCLSA-N 0 0 392.446 4.120 40 0 GIABRN CC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)C4CC4)n3)ccc21 ZINC000012220028 570627665 /nfs/dbraw/zinc/62/76/65/570627665.db2.gz RWVISNFECVLTGS-UHFFFAOYSA-N 0 0 383.517 4.118 40 0 GIABRN CC1(C)Cc2nc(-c3cccnc3)ncc2[C@@H](NC(=O)CCc2ccccc2)C1 ZINC000012221090 570628114 /nfs/dbraw/zinc/62/81/14/570628114.db2.gz DHXIUHKQKLBYKL-FQEVSTJZSA-N 0 0 386.499 4.301 40 0 GIABRN Cc1csc([C@@H](Cc2ccsc2)NC(=O)Cc2sc(C)nc2C)n1 ZINC000012227941 570629130 /nfs/dbraw/zinc/62/91/30/570629130.db2.gz FSUKILZNQDDXDL-CQSZACIVSA-N 0 0 377.560 4.229 40 0 GIABRN CCCCOc1ncc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1C ZINC000225875800 570629530 /nfs/dbraw/zinc/62/95/30/570629530.db2.gz NRICWLVOFHBYER-UHFFFAOYSA-N 0 0 386.467 4.395 40 0 GIABRN Cn1cnc2cc(C(=O)NCCCNc3ccnc4cc(Cl)ccc43)ccc21 ZINC000225891586 570631241 /nfs/dbraw/zinc/63/12/41/570631241.db2.gz RLZZWRUYPJWLCT-UHFFFAOYSA-N 0 0 393.878 4.007 40 0 GIABRN COc1ccccc1[C@]1(O)CCCN(C(=O)c2ccnc3ccc(Cl)cc32)C1 ZINC000012290455 570632966 /nfs/dbraw/zinc/63/29/66/570632966.db2.gz NSJPFWBTVXUENW-QFIPXVFZSA-N 0 0 396.874 4.021 40 0 GIABRN COc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCC(C)CC2)c(OC)c1 ZINC000004847703 570634140 /nfs/dbraw/zinc/63/41/40/570634140.db2.gz IMFWUPWWNZWCSN-NRFANRHFSA-N 0 0 399.539 4.017 40 0 GIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000044848829 570635514 /nfs/dbraw/zinc/63/55/14/570635514.db2.gz LSULWOHGSYVZSX-NRFANRHFSA-N 0 0 396.487 4.117 40 0 GIABRN C[C@H](NC(=S)Nc1nc(N2CCCC2)cc(C(F)(F)F)n1)c1ccccc1 ZINC000225963375 570636779 /nfs/dbraw/zinc/63/67/79/570636779.db2.gz UOHYPNHPBHOXPT-LBPRGKRZSA-N 0 0 395.454 4.143 40 0 GIABRN Cc1ccc(C)c(NC(=O)CCNC(=O)c2ccc3sc(Cl)nc3c2)c1 ZINC000225979559 570637802 /nfs/dbraw/zinc/63/78/02/570637802.db2.gz XNKFGRVQYBOVGC-UHFFFAOYSA-N 0 0 387.892 4.325 40 0 GIABRN COc1ccc(CN(C)C(=O)[C@@H](C)Oc2cccc3ccccc32)cc1OC ZINC000044880335 570637957 /nfs/dbraw/zinc/63/79/57/570637957.db2.gz BCORJLJEJCOHFX-MRXNPFEDSA-N 0 0 379.456 4.283 40 0 GIABRN CCc1ccc(NC(=S)N2CCC(NC(=O)c3ccccc3C)CC2)cc1 ZINC000004857584 570638864 /nfs/dbraw/zinc/63/88/64/570638864.db2.gz PFEVTWQHQJOGQL-UHFFFAOYSA-N 0 0 381.545 4.149 40 0 GIABRN Cc1ccc(S[C@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000031852100 570640439 /nfs/dbraw/zinc/64/04/39/570640439.db2.gz YAEGCTCHYOYHJZ-AQDCRGGLSA-N 0 0 380.557 4.333 40 0 GIABRN COCCN(C(=O)CCc1ccccc1)c1nnc(-c2ccc(C)cc2)s1 ZINC000004880554 570642150 /nfs/dbraw/zinc/64/21/50/570642150.db2.gz HKOYRVWGDJDICM-UHFFFAOYSA-N 0 0 381.501 4.126 40 0 GIABRN COc1ccc(-c2ccccc2CC2(C(=O)N3CCCC3)CCOCC2)cc1 ZINC000012328962 570643620 /nfs/dbraw/zinc/64/36/20/570643620.db2.gz ZNVNPBAQIZYNOA-UHFFFAOYSA-N 0 0 379.500 4.324 40 0 GIABRN Cc1cccc(C(=O)NC2CCN(C(=S)Nc3ccccc3Cl)CC2)c1 ZINC000004888676 570643666 /nfs/dbraw/zinc/64/36/66/570643666.db2.gz ZPEONYRGVLJKMZ-UHFFFAOYSA-N 0 0 387.936 4.240 40 0 GIABRN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 ZINC000044946313 570644891 /nfs/dbraw/zinc/64/48/91/570644891.db2.gz VJTHIJRHTXAVRQ-JOCHJYFZSA-N 0 0 394.496 4.021 40 0 GIABRN CCOc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000044947699 570645202 /nfs/dbraw/zinc/64/52/02/570645202.db2.gz VNWKJUXXMSYQSC-QFIPXVFZSA-N 0 0 381.497 4.462 40 0 GIABRN CCCSc1ncc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccccc2OC)C3)cn1 ZINC000012345457 570645788 /nfs/dbraw/zinc/64/57/88/570645788.db2.gz XANIGEJOFZQHIO-VSOVRNOCSA-N 0 0 399.560 4.002 40 0 GIABRN Cc1ccc2[nH]c(-c3cccnc3SCC(=O)N3CCC[C@H](C)C3)nc2c1 ZINC000004903248 570646875 /nfs/dbraw/zinc/64/68/75/570646875.db2.gz DZRFLCKIBBZLPA-HNNXBMFYSA-N 0 0 380.517 4.284 40 0 GIABRN CCC(C)(C)NC(=O)[C@H](CC(C)C)OC(=O)c1nsc(Cl)c1Cl ZINC000004902210 570647084 /nfs/dbraw/zinc/64/70/84/570647084.db2.gz DEIBUGDUFBSBKS-VIFPVBQESA-N 0 0 381.325 4.326 40 0 GIABRN COc1cc([C@H]2NC(=O)c3ccccc3O2)ccc1OCc1ccccc1F ZINC000004997906 570650542 /nfs/dbraw/zinc/65/05/42/570650542.db2.gz ZQWXNAOGGCXHPT-QFIPXVFZSA-N 0 0 379.387 4.234 40 0 GIABRN Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(Br)cc2C)CC1=O ZINC000059227416 570652084 /nfs/dbraw/zinc/65/20/84/570652084.db2.gz CAGZMTUBFYKFFT-CQSZACIVSA-N 0 0 387.277 4.058 40 0 GIABRN Cc1cccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)N(c4ccccc4)O[C@@H]3C2=O)c1 ZINC000013563794 570656721 /nfs/dbraw/zinc/65/67/21/570656721.db2.gz MIIQIGDVJVVLPG-FSSWDIPSSA-N 0 0 384.435 4.046 40 0 GIABRN O=C1c2cccc3cccc(c32)C(=O)N1c1ccccc1I ZINC000059475097 570657497 /nfs/dbraw/zinc/65/74/97/570657497.db2.gz UTZQGQQMRTZRLZ-UHFFFAOYSA-N 0 0 399.187 4.245 40 0 GIABRN Cc1ccc(NC(=O)[C@H](C)Sc2n[nH]c(CNc3ccccc3)n2)cc1C ZINC000005448308 570663235 /nfs/dbraw/zinc/66/32/35/570663235.db2.gz PBTGIFJESWLLKW-HNNXBMFYSA-N 0 0 381.505 4.153 40 0 GIABRN COc1cccc(NC(=S)N2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)c1 ZINC000005988495 570666651 /nfs/dbraw/zinc/66/66/51/570666651.db2.gz NJVKGUACOGWIJZ-OAHLLOKOSA-N 0 0 380.517 4.456 40 0 GIABRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000006587783 570670839 /nfs/dbraw/zinc/67/08/39/570670839.db2.gz ANJPOAVGPAPQDL-SVMVAKDDSA-N 0 0 379.500 4.380 40 0 GIABRN O=C(NCc1ccccn1)c1ccc2nc(-c3ccoc3)c(-c3ccoc3)nc2c1 ZINC000006678117 570672647 /nfs/dbraw/zinc/67/26/47/570672647.db2.gz KGJRJNGQHPZNDH-UHFFFAOYSA-N 0 0 396.406 4.475 40 0 GIABRN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc3c(c1)OCO3)S[C@H](C)C(=O)N2 ZINC000006678942 570673211 /nfs/dbraw/zinc/67/32/11/570673211.db2.gz KNRJRGUBWSQPDO-BFUOFWGJSA-N 0 0 393.468 4.073 40 0 GIABRN Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)cc1Cl ZINC000054363106 570677775 /nfs/dbraw/zinc/67/77/75/570677775.db2.gz JFDBWCUIGCVGSW-ZANVPECISA-N 0 0 380.735 4.268 40 0 GIABRN COc1ccc([C@H]2C[C@@]3(CC(C)(C)NC(=S)N3)Oc3cc(O)cc(C)c32)cc1 ZINC000008686940 570681366 /nfs/dbraw/zinc/68/13/66/570681366.db2.gz YKCPJOFNMLHJSR-VGSWGCGISA-N 0 0 398.528 4.378 40 0 GIABRN Cc1cc2c(cc1/C=C1\SC(=O)N(CCc3ccccc3)C1=O)OCCO2 ZINC000409007370 570692626 /nfs/dbraw/zinc/69/26/26/570692626.db2.gz PPTCUEVRPGFXCO-UYRXBGFRSA-N 0 0 381.453 4.045 40 0 GIABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)nc1 ZINC000260759295 570703015 /nfs/dbraw/zinc/70/30/15/570703015.db2.gz FYBOVJHZYROGGX-CDHQVMDDSA-N 0 0 375.501 4.165 40 0 GIABRN COc1cc(Cl)c([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1OC ZINC000260774920 570704764 /nfs/dbraw/zinc/70/47/64/570704764.db2.gz OEGBNFGSZGMKFW-HWOJHCLVSA-N 0 0 389.908 4.342 40 0 GIABRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccn1)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000101115278 570714110 /nfs/dbraw/zinc/71/41/10/570714110.db2.gz VFVLWHDKTBYUNI-MQFRRQCYSA-N 0 0 380.447 4.325 40 0 GIABRN Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2cccc(C)c2)cc1 ZINC000001512942 570715444 /nfs/dbraw/zinc/71/54/44/570715444.db2.gz GGPMCWJEJGARAS-UHFFFAOYSA-N 0 0 384.435 4.204 40 0 GIABRN Cc1ccc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2cccc(C)c2)cc1 ZINC000001512932 570715499 /nfs/dbraw/zinc/71/54/99/570715499.db2.gz GWIGIRPKMVOXHA-UHFFFAOYSA-N 0 0 384.435 4.204 40 0 GIABRN O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1cccc2ccccc21 ZINC000005318441 570732339 /nfs/dbraw/zinc/73/23/39/570732339.db2.gz WNAAORLLOMDFET-UHFFFAOYSA-N 0 0 389.480 4.129 40 0 GIABRN CCc1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3)o2)cc1 ZINC000005294697 570732939 /nfs/dbraw/zinc/73/29/39/570732939.db2.gz MYQCLXUJDNBYSO-UHFFFAOYSA-N 0 0 383.473 4.250 40 0 GIABRN CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C ZINC000005448537 570733084 /nfs/dbraw/zinc/73/30/84/570733084.db2.gz KIRYVCADYQIDNE-UHFFFAOYSA-N 0 0 386.908 4.429 40 0 GIABRN COc1ccc(Cc2nnc(SCC(=O)Nc3c(C)cccc3C)o2)cc1 ZINC000005788738 570735687 /nfs/dbraw/zinc/73/56/87/570735687.db2.gz IYXJURVFVZDJAS-UHFFFAOYSA-N 0 0 383.473 4.017 40 0 GIABRN COc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 ZINC000005902933 570736186 /nfs/dbraw/zinc/73/61/86/570736186.db2.gz QQVRCDHTFMUIOF-LBPRGKRZSA-N 0 0 386.517 4.259 40 0 GIABRN Cc1cccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1C ZINC000059233170 570737416 /nfs/dbraw/zinc/73/74/16/570737416.db2.gz NDSVBQXBSHSBDP-UHFFFAOYSA-N 0 0 380.488 4.337 40 0 GIABRN Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000006270166 570740294 /nfs/dbraw/zinc/74/02/94/570740294.db2.gz MDQLLIUVTLOBOT-LFIBNONCSA-N 0 0 392.480 4.448 40 0 GIABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc(F)c2)c1 ZINC000006263890 570740405 /nfs/dbraw/zinc/74/04/05/570740405.db2.gz KTYNMMXFOUISGW-UHFFFAOYSA-N 0 0 393.871 4.345 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc2C)c1 ZINC000006352428 570741204 /nfs/dbraw/zinc/74/12/04/570741204.db2.gz FFLGZISXNXTBSO-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN COc1ccc(-c2cnn3c(nnc3-c3ccccc3OC3CCCC3)n2)cc1 ZINC000588229232 570746356 /nfs/dbraw/zinc/74/63/56/570746356.db2.gz OODRFYOIKUWRJZ-UHFFFAOYSA-N 0 0 387.443 4.183 40 0 GIABRN CC(C)(C)C(=O)NCCc1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1 ZINC000013132944 570748362 /nfs/dbraw/zinc/74/83/62/570748362.db2.gz JLYMYQNURQIFEQ-UHFFFAOYSA-N 0 0 397.906 4.277 40 0 GIABRN CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000006678181 570748850 /nfs/dbraw/zinc/74/88/50/570748850.db2.gz QXAHVLRPVQMENO-QFIPXVFZSA-N 0 0 388.467 4.413 40 0 GIABRN CCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 ZINC000006597453 570749326 /nfs/dbraw/zinc/74/93/26/570749326.db2.gz YISCGNNTLNPQQE-KRWDZBQOSA-N 0 0 396.487 4.256 40 0 GIABRN CCCCOc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)CC)cc2)c1 ZINC000006710249 570749632 /nfs/dbraw/zinc/74/96/32/570749632.db2.gz ZOIUAZBYOVYKJL-UHFFFAOYSA-N 0 0 399.516 4.341 40 0 GIABRN Cc1cc(-c2cc(=O)n(Cc3c(F)cccc3Cl)nc2-c2ccco2)on1 ZINC000013226230 570750741 /nfs/dbraw/zinc/75/07/41/570750741.db2.gz BQNANNVFADNGRL-UHFFFAOYSA-N 0 0 385.782 4.308 40 0 GIABRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O ZINC000007078131 570756515 /nfs/dbraw/zinc/75/65/15/570756515.db2.gz UBMQBIQYCYIMLT-SZUMLMDFSA-N 0 0 388.272 4.371 40 0 GIABRN CCOc1cc(CNn2cnnc2)cc(Cl)c1OCc1ccccc1Cl ZINC000007602487 570760818 /nfs/dbraw/zinc/76/08/18/570760818.db2.gz BBOMHKNRMFDPTO-UHFFFAOYSA-N 0 0 393.274 4.306 40 0 GIABRN O=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)C(F)(F)F ZINC000008071118 570764042 /nfs/dbraw/zinc/76/40/42/570764042.db2.gz MTMWJCDTLICAQW-UHFFFAOYSA-N 0 0 386.127 4.153 40 0 GIABRN O=C(c1cncs1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257226571 570764235 /nfs/dbraw/zinc/76/42/35/570764235.db2.gz FLFCROJBGYKTLY-AWEZNQCLSA-N 0 0 387.892 4.395 40 0 GIABRN Cc1cccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccco2)C4)c1 ZINC000013634304 570764537 /nfs/dbraw/zinc/76/45/37/570764537.db2.gz AMEKNEKFGJPFNX-HNNXBMFYSA-N 0 0 390.468 4.231 40 0 GIABRN CC(C)(C)CN1CCO[C@@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000257231533 570765481 /nfs/dbraw/zinc/76/54/81/570765481.db2.gz GHDWYRIXIHZUDV-LJQANCHMSA-N 0 0 377.916 4.104 40 0 GIABRN CC1(C)C[C@H](NS(=O)(=O)Cc2c(F)cccc2Cl)c2ccccc2O1 ZINC000013646137 570765853 /nfs/dbraw/zinc/76/58/53/570765853.db2.gz GWHWXGDIOKXTSA-INIZCTEOSA-N 0 0 383.872 4.201 40 0 GIABRN CCOc1cc(CNn2cn[nH]c2=S)ccc1OCc1ccc(Cl)cc1 ZINC000008254556 570766453 /nfs/dbraw/zinc/76/64/53/570766453.db2.gz MZTYTSVBRZZVGN-UHFFFAOYSA-N 0 0 390.896 4.315 40 0 GIABRN CC[C@H](C)Oc1cccc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000008197703 570767695 /nfs/dbraw/zinc/76/76/95/570767695.db2.gz SGAPDJGNHJUDPL-HIGJEIRPSA-N 0 0 386.561 4.437 40 0 GIABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 ZINC000008335904 570768123 /nfs/dbraw/zinc/76/81/23/570768123.db2.gz AVYZMLBNQOVNOV-UHFFFAOYSA-N 0 0 377.488 4.262 40 0 GIABRN COc1cc(CNn2cn[nH]c2=S)ccc1OCc1ccc(F)cc1Cl ZINC000008471788 570769014 /nfs/dbraw/zinc/76/90/14/570769014.db2.gz QNJMYBJIFGVYOR-UHFFFAOYSA-N 0 0 394.859 4.064 40 0 GIABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(Br)cc1 ZINC000008496584 570769424 /nfs/dbraw/zinc/76/94/24/570769424.db2.gz XDOOWNJKNWXLKD-UHFFFAOYSA-N 0 0 391.294 4.122 40 0 GIABRN CN(C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccccc1 ZINC000013673025 570771220 /nfs/dbraw/zinc/77/12/20/570771220.db2.gz JIVKYEAMOKIRKZ-JOCHJYFZSA-N 0 0 392.480 4.330 40 0 GIABRN COc1ccc(CSCC(=O)NCCSCc2ccccc2F)cc1 ZINC000013676029 570771732 /nfs/dbraw/zinc/77/17/32/570771732.db2.gz NKJSLHCPTPNQDA-UHFFFAOYSA-N 0 0 379.522 4.117 40 0 GIABRN Cc1ccccc1OCC(=O)Nc1cc(C)c(I)cc1C ZINC000008571552 570771760 /nfs/dbraw/zinc/77/17/60/570771760.db2.gz ZJLHXWHNLKIJED-UHFFFAOYSA-N 0 0 395.240 4.234 40 0 GIABRN CCn1c(Cc2ccccc2)nnc1SCCCOc1ccccc1C=O ZINC000008731817 570772028 /nfs/dbraw/zinc/77/20/28/570772028.db2.gz NKIBQYFBWDHHKA-UHFFFAOYSA-N 0 0 381.501 4.263 40 0 GIABRN O=C(NC(=S)Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccccc1 ZINC000008904146 570773758 /nfs/dbraw/zinc/77/37/58/570773758.db2.gz NOSAAVKIXLQXGR-UHFFFAOYSA-N 0 0 382.485 4.303 40 0 GIABRN CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 ZINC000009525729 570775694 /nfs/dbraw/zinc/77/56/94/570775694.db2.gz QHLUUYKISKFHJE-CYBMUJFWSA-N 0 0 391.254 4.188 40 0 GIABRN O=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000009903502 570777011 /nfs/dbraw/zinc/77/70/11/570777011.db2.gz SBBFAWZNLQDKKJ-OVCLIPMQSA-N 0 0 396.443 4.278 40 0 GIABRN CC[C@H](C(=O)Nc1cccc2ccccc21)N(c1ccccc1)S(C)(=O)=O ZINC000013711053 570777620 /nfs/dbraw/zinc/77/76/20/570777620.db2.gz AHNFAHMEURETFD-HXUWFJFHSA-N 0 0 382.485 4.023 40 0 GIABRN CC[C@@H](C(=O)Nc1cc(C)cc(C)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711954 570777965 /nfs/dbraw/zinc/77/79/65/570777965.db2.gz HOSGQTCFGKANTG-SFHVURJKSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@@H](C(=O)NC1CCCCCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716781 570779106 /nfs/dbraw/zinc/77/91/06/570779106.db2.gz WFBNCBLFJJXALV-FQEVSTJZSA-N 0 0 394.581 4.077 40 0 GIABRN O=C(CCc1nc(-c2cccc(Cl)c2)no1)NCc1ccccc1Cl ZINC000169890500 570786488 /nfs/dbraw/zinc/78/64/88/570786488.db2.gz ODIFHHDNLABZQP-UHFFFAOYSA-N 0 0 376.243 4.292 40 0 GIABRN O=C(CSc1ncn(-c2ccccc2)n1)Nc1cc(Cl)ccc1Cl ZINC000011474852 570795479 /nfs/dbraw/zinc/79/54/79/570795479.db2.gz HMEATMJXBLMNAN-UHFFFAOYSA-N 0 0 379.272 4.305 40 0 GIABRN CC[C@H]1CN(Cc2ccccc2)Cc2cc3c(OC)ccc(OC)c3nc2O1 ZINC000013563878 570852217 /nfs/dbraw/zinc/85/22/17/570852217.db2.gz OSIKTAUNNDFXKF-SFHVURJKSA-N 0 0 378.472 4.425 40 0 GIABRN O=C(Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000013608543 570861057 /nfs/dbraw/zinc/86/10/57/570861057.db2.gz AELMSXMBCITBFG-UHFFFAOYSA-N 0 0 378.859 4.451 40 0 GIABRN COC(=O)c1c(CCc2c(C)nn(-c3ccccc3)c2Cl)cccc1OC ZINC000035973592 570864933 /nfs/dbraw/zinc/86/49/33/570864933.db2.gz QFNVKXRFUSEOBH-UHFFFAOYSA-N 0 0 384.863 4.415 40 0 GIABRN CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccccc1Cl ZINC000014068155 570876962 /nfs/dbraw/zinc/87/69/62/570876962.db2.gz BYMILAPEUNJJKH-UHFFFAOYSA-N 0 0 386.908 4.027 40 0 GIABRN CCN(CC)C(=O)C(=O)c1cn(CCOc2cc(C)ccc2C)c2ccccc12 ZINC000014136054 570877351 /nfs/dbraw/zinc/87/73/51/570877351.db2.gz LCEDHEDFNRJVSD-UHFFFAOYSA-N 0 0 392.499 4.388 40 0 GIABRN C[C@@H]1CC2(CCCCC2)N2c3c(cccc31)[C@@]1(Nc3ccccc3C(=O)N1)C2=O ZINC000014162453 570878677 /nfs/dbraw/zinc/87/86/77/570878677.db2.gz FZDQDTFUJITGAT-MYYSRTQBSA-N 0 0 387.483 4.252 40 0 GIABRN O=c1c2c3c(c[nH]c-2nn1-c1ccccc1)C(=O)C[C@H](/C=C/c1ccccc1)C3 ZINC000014163928 570878849 /nfs/dbraw/zinc/87/88/49/570878849.db2.gz MHLPHZDOJLUVPD-FMQWLBJXSA-N 0 0 381.435 4.172 40 0 GIABRN CCc1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccccn4)o3)CC2)cs1 ZINC000257215468 570888145 /nfs/dbraw/zinc/88/81/45/570888145.db2.gz CQFREJHZZXUYBS-SHTZXODSSA-N 0 0 396.516 4.459 40 0 GIABRN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000014400664 570891927 /nfs/dbraw/zinc/89/19/27/570891927.db2.gz ADEXRMBCPMNVEI-UHFFFAOYSA-N 0 0 394.496 4.392 40 0 GIABRN C[C@H]1CC(C)(C)N2C(=O)[C@@]3(SCC(=O)N3c3ccc(F)cc3)c3cccc1c32 ZINC000014671882 570894406 /nfs/dbraw/zinc/89/44/06/570894406.db2.gz ZLJIUTXQPFJWNO-XMHCIUCPSA-N 0 0 396.487 4.391 40 0 GIABRN COCCCNC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000014795939 570897604 /nfs/dbraw/zinc/89/76/04/570897604.db2.gz NIIUSPHGPQPDFV-UHFFFAOYSA-N 0 0 388.467 4.372 40 0 GIABRN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000014831690 570899187 /nfs/dbraw/zinc/89/91/87/570899187.db2.gz FCTMTUUQSSOWQJ-UHFFFAOYSA-N 0 0 399.516 4.195 40 0 GIABRN CN(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C(C)(C)C)CC2)n1 ZINC000257277960 570900499 /nfs/dbraw/zinc/90/04/99/570900499.db2.gz OADSIVLWQIEPNE-SAABIXHNSA-N 0 0 395.551 4.041 40 0 GIABRN CCOc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)ccc1O ZINC000169678385 570904340 /nfs/dbraw/zinc/90/43/40/570904340.db2.gz DTEURNFLCFXMBC-PNWSJRKFSA-N 0 0 375.515 4.193 40 0 GIABRN Cc1csc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccncc4)o3)CC2)c1 ZINC000257343937 570910478 /nfs/dbraw/zinc/91/04/78/570910478.db2.gz ZUZXVQGAOCVHBM-SHTZXODSSA-N 0 0 382.489 4.205 40 0 GIABRN O=C(c1cccs1)[C@H]1CN(Cc2ccccc2)CC[C@@]1(O)c1cccs1 ZINC000004399349 570910696 /nfs/dbraw/zinc/91/06/96/570910696.db2.gz CSELUCAFPBCIKL-UTKZUKDTSA-N 0 0 383.538 4.402 40 0 GIABRN CC(=O)c1ccc(NC(=S)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000016281850 570912845 /nfs/dbraw/zinc/91/28/45/570912845.db2.gz TYXDUGZNQQECAE-UHFFFAOYSA-N 0 0 387.936 4.370 40 0 GIABRN COc1ccc2oc(C(=O)Nc3cccc(I)c3)cc2c1 ZINC000041306404 570914407 /nfs/dbraw/zinc/91/44/07/570914407.db2.gz WAPFZDKUNPBMLO-UHFFFAOYSA-N 0 0 393.180 4.298 40 0 GIABRN COc1c(C)cccc1C(=O)Nc1cc(C)c(I)cc1C ZINC000017080753 570918555 /nfs/dbraw/zinc/91/85/55/570918555.db2.gz XTKIGSGOBULLJZ-UHFFFAOYSA-N 0 0 395.240 4.477 40 0 GIABRN O=C(OC1CCCC1)N1CCC2(CC1)Cc1ccccc1CN(CC1CC1)C2=O ZINC000585105750 570932539 /nfs/dbraw/zinc/93/25/39/570932539.db2.gz IKFCNTGLVPHFGK-UHFFFAOYSA-N 0 0 396.531 4.143 40 0 GIABRN Cc1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019946323 570932620 /nfs/dbraw/zinc/93/26/20/570932620.db2.gz ULPIWMZQSRWHPD-UHFFFAOYSA-N 0 0 394.496 4.137 40 0 GIABRN CCN1Cc2ccccc2CC2(CCN(C(=O)OC3CCCCC3)CC2)C1=O ZINC000585105706 570932683 /nfs/dbraw/zinc/93/26/83/570932683.db2.gz FKEGSQDFZYSXKT-UHFFFAOYSA-N 0 0 384.520 4.143 40 0 GIABRN CC(C)CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1ccco1)C2 ZINC000585107460 570935033 /nfs/dbraw/zinc/93/50/33/570935033.db2.gz WPKGQVZCJKFUKE-QHCPKHFHSA-N 0 0 390.487 4.073 40 0 GIABRN COc1ccccc1-c1ccc2c(c1)C1(CN2C(=O)c2cc[nH]c2)CCOCC1 ZINC000585105868 570935300 /nfs/dbraw/zinc/93/53/00/570935300.db2.gz VRAMGBYQBPEXBA-UHFFFAOYSA-N 0 0 388.467 4.399 40 0 GIABRN O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1cccc2ccccc21 ZINC000585111392 570941423 /nfs/dbraw/zinc/94/14/23/570941423.db2.gz RUJQOLXDKXLLOG-QHCPKHFHSA-N 0 0 397.478 4.128 40 0 GIABRN CC(C)c1ccc(CN2CCc3oc(C(=O)N4C[C@H](C)C[C@H](C)C4)nc3C2)cc1 ZINC000585111523 570941986 /nfs/dbraw/zinc/94/19/86/570941986.db2.gz CQNSEEJVPAKUBJ-HDICACEKSA-N 0 0 395.547 4.474 40 0 GIABRN O=C(CCC1CCCCC1)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 ZINC000585111304 570945700 /nfs/dbraw/zinc/94/57/00/570945700.db2.gz NPXYYTORPKEERA-OAQYLSRUSA-N 0 0 381.520 4.022 40 0 GIABRN COc1c(C)cccc1C(=O)Nc1nc2ccc(C(=O)OC(C)C)cc2s1 ZINC000020411771 570946245 /nfs/dbraw/zinc/94/62/45/570946245.db2.gz NQUMOHWLGRIQFY-UHFFFAOYSA-N 0 0 384.457 4.431 40 0 GIABRN CCOC(=O)c1cn(Cc2cccc(F)c2)c2cc(Cl)c(F)cc2c1=O ZINC000199805496 570951618 /nfs/dbraw/zinc/95/16/18/570951618.db2.gz OMVKWQXUCPVYKL-UHFFFAOYSA-N 0 0 377.774 4.158 40 0 GIABRN CC1(C)CC(=O)C2=C(c3cc(C(F)(F)F)ccc3C(F)(F)F)NN[C@@H]2C1 ZINC000228934916 570952016 /nfs/dbraw/zinc/95/20/16/570952016.db2.gz HKFUEVHXFSMLSS-YPMHNXCESA-N 0 0 378.316 4.405 40 0 GIABRN CCc1ccc([C@]2(O)C=C(C(F)(F)F)NN2C(=O)CCc2ccccc2)cc1 ZINC000004309846 570971949 /nfs/dbraw/zinc/97/19/49/570971949.db2.gz BMTMFCADXODTKK-HXUWFJFHSA-N 0 0 390.405 4.178 40 0 GIABRN O=C(Oc1ccc(Cl)cc1)c1ccccc1N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004544930 570978124 /nfs/dbraw/zinc/97/81/24/570978124.db2.gz DHHMBCPLWSTIPU-QXUMQBBKSA-N 0 0 395.842 4.095 40 0 GIABRN O=C(NCc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000243723004 570987950 /nfs/dbraw/zinc/98/79/50/570987950.db2.gz PPBCBILSUZVHPR-CYBMUJFWSA-N 0 0 396.796 4.028 40 0 GIABRN O=C(NCc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000243723005 570988003 /nfs/dbraw/zinc/98/80/03/570988003.db2.gz PPBCBILSUZVHPR-ZDUSSCGKSA-N 0 0 396.796 4.028 40 0 GIABRN O=C(Nc1ccccc1Cl)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000244167687 570988997 /nfs/dbraw/zinc/98/89/97/570988997.db2.gz VBQVTKUTGDSMSF-UHFFFAOYSA-N 0 0 377.271 4.484 40 0 GIABRN O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000253448131 570990623 /nfs/dbraw/zinc/99/06/23/570990623.db2.gz GZOYAZDWEACLOJ-UHFFFAOYSA-N 0 0 391.298 4.162 40 0 GIABRN CCCC(=O)N1CCC(Cc2cccc(-c3ccccc3)c2)(C(=O)NC)CC1 ZINC000585166482 570994496 /nfs/dbraw/zinc/99/44/96/570994496.db2.gz FKPAOUKWNVAKST-UHFFFAOYSA-N 0 0 378.516 4.051 40 0 GIABRN Fc1ccc(F)c(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)c1 ZINC000328957728 571046831 /nfs/dbraw/zinc/04/68/31/571046831.db2.gz ALFCVODATCYVEU-UHFFFAOYSA-N 0 0 381.430 4.149 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2ccccc2OC(F)(F)F)cc(C(F)(F)F)n1 ZINC000328962108 571047171 /nfs/dbraw/zinc/04/71/71/571047171.db2.gz BHOYIOVIQWCQDV-SECBINFHSA-N 0 0 394.319 4.192 40 0 GIABRN Fc1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)c(F)c1F ZINC000328962525 571047279 /nfs/dbraw/zinc/04/72/79/571047279.db2.gz BILVMHGDDPESDV-UHFFFAOYSA-N 0 0 399.420 4.288 40 0 GIABRN COc1ccc(C(F)(F)F)cc1Nc1cc(Cl)nc(-c2cccnc2)n1 ZINC000328965228 571047479 /nfs/dbraw/zinc/04/74/79/571047479.db2.gz CAYCNXYDPCWBEQ-UHFFFAOYSA-N 0 0 380.757 4.385 40 0 GIABRN O=C(CN1c2ccccc2S[C@H](c2ccco2)CC1=O)Nc1ccccc1 ZINC000004162774 817507528 /nfs/dbraw/zinc/50/75/28/817507528.db2.gz VBLGQILLOZSJJL-IBGZPJMESA-N 0 0 378.453 4.488 40 0 GIABRN Cc1ccc(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C ZINC000005094346 817550942 /nfs/dbraw/zinc/55/09/42/817550942.db2.gz NTNAYMXRBHHZSI-UHFFFAOYSA-N 0 0 376.422 4.214 40 0 GIABRN Cc1cc(Br)ccc1NC(=O)COC(=O)Cc1ccc(Cl)cc1 ZINC000005960403 817632032 /nfs/dbraw/zinc/63/20/32/817632032.db2.gz CJFFHKSZHSHQGP-UHFFFAOYSA-N 0 0 396.668 4.135 40 0 GIABRN CC(C)/N=C1\S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1C(C)C ZINC000006325061 817676045 /nfs/dbraw/zinc/67/60/45/817676045.db2.gz GGGRXFIDPWMUGV-KDWIEBRMSA-N 0 0 398.488 4.475 40 0 GIABRN COc1cc(Cl)c(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OC ZINC000006324836 817676102 /nfs/dbraw/zinc/67/61/02/817676102.db2.gz KUVFUCFTCPCPGD-PCBILBORSA-N 0 0 382.913 4.446 40 0 GIABRN CSc1ccc(/C=C2\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)cc1 ZINC000006327472 817676945 /nfs/dbraw/zinc/67/69/45/817676945.db2.gz VHBXXLHMDULKPA-YBEGLDIGSA-N 0 0 392.546 4.090 40 0 GIABRN COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1=Cc1ccccc1Cl ZINC000006348346 817681058 /nfs/dbraw/zinc/68/10/58/817681058.db2.gz QIKADPUCSZOMTE-PDGQHHTCSA-N 0 0 395.842 4.420 40 0 GIABRN CCCCNC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1 ZINC000006629002 817712222 /nfs/dbraw/zinc/71/22/22/817712222.db2.gz DZWCBHRAQICOQS-UHFFFAOYSA-N 0 0 394.544 4.175 40 0 GIABRN CCN(CC)C(=O)CSc1nnc(-c2ccccc2)n1-c1cccc(C)c1 ZINC000006629802 817712584 /nfs/dbraw/zinc/71/25/84/817712584.db2.gz ZOXHIKNOXMDPJR-UHFFFAOYSA-N 0 0 380.517 4.203 40 0 GIABRN CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccccc1F ZINC000006711171 817716982 /nfs/dbraw/zinc/71/69/82/817716982.db2.gz IOKCRXVUXMRDAG-UHFFFAOYSA-N 0 0 390.871 4.488 40 0 GIABRN CCN1C(=O)S[C@H](Cc2ccc(OCc3ccccc3F)c(OC)c2)C1=O ZINC000006952910 817728455 /nfs/dbraw/zinc/72/84/55/817728455.db2.gz BBYJCDAYGHZJKI-GOSISDBHSA-N 0 0 389.448 4.040 40 0 GIABRN CCN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O ZINC000006951746 817728462 /nfs/dbraw/zinc/72/84/62/817728462.db2.gz DRYCQYMLBGJUTE-LFYBBSHMSA-N 0 0 396.186 4.074 40 0 GIABRN CCN1C(=O)N/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc32)C1=O ZINC000006951109 817728523 /nfs/dbraw/zinc/72/85/23/817728523.db2.gz GUALIYAFJGHECJ-DEDYPNTBSA-N 0 0 390.414 4.471 40 0 GIABRN CCOc1c(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cccc1OC ZINC000006958214 817728954 /nfs/dbraw/zinc/72/89/54/817728954.db2.gz TWRVVWVBSWIJPL-LDADJPATSA-N 0 0 397.452 4.013 40 0 GIABRN CCOc1c(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)cccc1OC ZINC000006958221 817728995 /nfs/dbraw/zinc/72/89/95/817728995.db2.gz DEWYJQJYBJMNPL-NBVRZTHBSA-N 0 0 383.469 4.373 40 0 GIABRN CCOc1ccc(Cl)cc1/C=C1\NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000006963821 817729838 /nfs/dbraw/zinc/72/98/38/817729838.db2.gz DKPHWLOZYGKTRG-GDNBJRDFSA-N 0 0 377.227 4.489 40 0 GIABRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(N4CCCCC4)cc3)C2=O)c1 ZINC000006967244 817730871 /nfs/dbraw/zinc/73/08/71/817730871.db2.gz RBNDFBIAQKUNAM-RCCKNPSSSA-N 0 0 375.472 4.078 40 0 GIABRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)cc1 ZINC000007071378 817752487 /nfs/dbraw/zinc/75/24/87/817752487.db2.gz BFBXPTVJPQEADJ-AYCSXLNKSA-N 0 0 391.489 4.099 40 0 GIABRN O=C(NCc1ccccn1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000007365789 817825244 /nfs/dbraw/zinc/82/52/44/817825244.db2.gz NUAREDZTJBEIDG-UHFFFAOYSA-N 0 0 389.842 4.154 40 0 GIABRN O=C(c1ccc(N2CCCCC2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000007504831 817856902 /nfs/dbraw/zinc/85/69/02/817856902.db2.gz OXKCSIBVWUZNMI-JXMROGBWSA-N 0 0 389.543 4.148 40 0 GIABRN Cc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1C ZINC000007881470 817949435 /nfs/dbraw/zinc/94/94/35/817949435.db2.gz QFRCVFNXEMRGBE-KRWDZBQOSA-N 0 0 399.874 4.044 40 0 GIABRN CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1)C(=O)c1ccccc1 ZINC000007881466 817949528 /nfs/dbraw/zinc/94/95/28/817949528.db2.gz UHDMWFGYSROWNM-QFBILLFUSA-N 0 0 399.874 4.206 40 0 GIABRN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 ZINC000008041653 817988464 /nfs/dbraw/zinc/98/84/64/817988464.db2.gz OYSHAMJBCWZJLF-GOSISDBHSA-N 0 0 380.488 4.336 40 0 GIABRN CC[C@@H](Oc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000008040758 817988492 /nfs/dbraw/zinc/98/84/92/817988492.db2.gz DKSREGHTBBBZIX-CQSZACIVSA-N 0 0 391.464 4.349 40 0 GIABRN N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)NC[C@@H]1CCCO1 ZINC000016437542 818442121 /nfs/dbraw/zinc/44/21/21/818442121.db2.gz DUHAVQBZCVQWCG-TZIYXEQSSA-N 0 0 391.254 4.456 40 0 GIABRN CC(=O)N1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCCN2C(=O)C1CCCC1 ZINC000019712933 818603312 /nfs/dbraw/zinc/60/33/12/818603312.db2.gz WEUPOFNVWOXHGY-ZLNRFVROSA-N 0 0 382.548 4.180 40 0 GIABRN C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Br)c2ccccc21 ZINC000031903866 820872972 /nfs/dbraw/zinc/87/29/72/820872972.db2.gz ZOWSVXDFVPHNMU-LRDDRELGSA-N 0 0 382.323 4.459 40 0 GIABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cccc(Br)c1 ZINC000033720264 821059638 /nfs/dbraw/zinc/05/96/38/821059638.db2.gz FFFQRIWSTLOOCY-CQSZACIVSA-N 0 0 379.279 4.217 40 0 GIABRN O=C(Oc1ccc(C=C2SC(=S)NC2=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000033781369 821060286 /nfs/dbraw/zinc/06/02/86/821060286.db2.gz ZORPLPXMWYQOGA-ZROIWOOFSA-N 0 0 386.410 4.143 40 0 GIABRN COc1ccc(/C=C/C(=O)NC(=S)Nc2cccc3cc(O)ccc32)cc1 ZINC000033899646 821060762 /nfs/dbraw/zinc/06/07/62/821060762.db2.gz OPHBHRODNWJTFZ-KPKJPENVSA-N 0 0 378.453 4.080 40 0 GIABRN COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(OC)c1 ZINC000047219450 822555146 /nfs/dbraw/zinc/55/51/46/822555146.db2.gz QPWPSHUEASJTLQ-SXGWCWSVSA-N 0 0 375.446 4.249 40 0 GIABRN CCn1c(SCC(=O)N2CCCC[C@@H]2C)nnc1-c1ccc(Cl)cc1 ZINC000003498953 230831019 /nfs/dbraw/zinc/83/10/19/230831019.db2.gz QFZABDOMZWCBEP-ZDUSSCGKSA-N 0 0 378.929 4.112 40 0 GIABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=O)COc2ccc(C)cc2C)cc1 ZINC000008369721 230863194 /nfs/dbraw/zinc/86/31/94/230863194.db2.gz VOIHMSAXEPUBES-UHFFFAOYSA-N 0 0 377.488 4.262 40 0 GIABRN Cc1c(Cl)cccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000020236857 230903306 /nfs/dbraw/zinc/90/33/06/230903306.db2.gz LIPVTWOENCUFSI-UHFFFAOYSA-N 0 0 394.924 4.177 40 0 GIABRN O=C(NCc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000042646675 230931158 /nfs/dbraw/zinc/93/11/58/230931158.db2.gz ABYMYGDNUMVXLB-UHFFFAOYSA-N 0 0 391.176 4.267 40 0 GIABRN COc1ccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)c(OC)c1 ZINC000106781599 231019605 /nfs/dbraw/zinc/01/96/05/231019605.db2.gz RBZCDSHQSYVQLK-UNOMPAQXSA-N 0 0 399.468 4.128 40 0 GIABRN Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C ZINC000113942287 231023304 /nfs/dbraw/zinc/02/33/04/231023304.db2.gz BDTGIJNFSRQJRM-UHFFFAOYSA-N 0 0 386.517 4.120 40 0 GIABRN CCn1nc(C)c(N2C(=O)c3cccc4c(N5CCCC5)ccc(c43)C2=O)c1C ZINC000408539323 231055556 /nfs/dbraw/zinc/05/55/56/231055556.db2.gz VKJWYINIXJEMEN-UHFFFAOYSA-N 0 0 388.471 4.074 40 0 GIABRN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCC2)N1CCCc2ccccc21 ZINC000408546158 231055805 /nfs/dbraw/zinc/05/58/05/231055805.db2.gz DOGZGTPIGCZMOL-UHFFFAOYSA-N 0 0 393.434 4.056 40 0 GIABRN Cc1cccc(CNC(=O)c2ccccc2NC(=O)c2c(F)cccc2F)c1 ZINC000408614747 231081316 /nfs/dbraw/zinc/08/13/16/231081316.db2.gz HEBCVMCYVFYVIC-UHFFFAOYSA-N 0 0 380.394 4.456 40 0 GIABRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1 ZINC000408617367 231081654 /nfs/dbraw/zinc/08/16/54/231081654.db2.gz ALGGNPCOXQOINB-UHFFFAOYSA-N 0 0 378.501 4.053 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1)N1CCCCC1 ZINC000408582109 231066915 /nfs/dbraw/zinc/06/69/15/231066915.db2.gz BLQDLNPPUURDOQ-UHFFFAOYSA-N 0 0 393.553 4.096 40 0 GIABRN Cc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)cc1C ZINC000408666003 231092840 /nfs/dbraw/zinc/09/28/40/231092840.db2.gz ZUVXKZYCGCQUMZ-NVXWUHKLSA-N 0 0 399.874 4.124 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)c2)cc1C ZINC000408670101 231092868 /nfs/dbraw/zinc/09/28/68/231092868.db2.gz IATJKFOFAGLGEU-IPHXSNPTSA-N 0 0 388.467 4.257 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)c2)cc1C ZINC000408669364 231092911 /nfs/dbraw/zinc/09/29/11/231092911.db2.gz GPDBHWXBAKAXRM-XMDBHEJHSA-N 0 0 390.483 4.481 40 0 GIABRN Cc1ccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1C ZINC000408704981 231099271 /nfs/dbraw/zinc/09/92/71/231099271.db2.gz WPSCINCIRCJBBU-UHFFFAOYSA-N 0 0 394.496 4.384 40 0 GIABRN Cc1ccc(OCC(=O)Nc2ccc(I)cc2F)c(C)c1 ZINC000408620565 231083460 /nfs/dbraw/zinc/08/34/60/231083460.db2.gz HITUZAWQHAHSKD-UHFFFAOYSA-N 0 0 399.203 4.065 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)c(C)c1 ZINC000408622879 231084376 /nfs/dbraw/zinc/08/43/76/231084376.db2.gz NVHMWRIBGMAKLK-UHFFFAOYSA-N 0 0 386.517 4.039 40 0 GIABRN COc1ccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1C ZINC000409038966 231150691 /nfs/dbraw/zinc/15/06/91/231150691.db2.gz WGQAZJDINQYWQY-UYRXBGFRSA-N 0 0 383.469 4.427 40 0 GIABRN COCCn1c(C)cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c1C ZINC000409129194 231168548 /nfs/dbraw/zinc/16/85/48/231168548.db2.gz FYZJHNBXAKOUTP-RGEXLXHISA-N 0 0 384.501 4.030 40 0 GIABRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)c(C)n1C1CC1 ZINC000409136153 231169879 /nfs/dbraw/zinc/16/98/79/231169879.db2.gz SYYSZJZVKDLLMN-ODLFYWEKSA-N 0 0 380.469 4.359 40 0 GIABRN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2CC(C)C)c1 ZINC000409099693 231160244 /nfs/dbraw/zinc/16/02/44/231160244.db2.gz SCAWLMQYRZMVEI-UHFFFAOYSA-N 0 0 395.532 4.344 40 0 GIABRN O=C1NC(=Cc2cccn2-c2ccc(F)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000409107764 231162184 /nfs/dbraw/zinc/16/21/84/231162184.db2.gz UKSKJPAWCWIBQE-LDADJPATSA-N 0 0 381.794 4.367 40 0 GIABRN Cc1ccc(OCc2nn(CC(=O)Nc3cccc(C)c3C)c(=S)o2)cc1 ZINC000409162949 231173479 /nfs/dbraw/zinc/17/34/79/231173479.db2.gz JUUMLOPIQHZVDP-UHFFFAOYSA-N 0 0 383.473 4.349 40 0 GIABRN Cc1c(F)cccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C ZINC000409167638 231174020 /nfs/dbraw/zinc/17/40/20/231174020.db2.gz JCEXMWZNDNOPRB-UHFFFAOYSA-N 0 0 390.871 4.314 40 0 GIABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)cc1 ZINC000409170459 231174452 /nfs/dbraw/zinc/17/44/52/231174452.db2.gz VTBMXDJRKLSDMK-MHWRWJLKSA-N 0 0 386.860 4.323 40 0 GIABRN CCc1s/c(=N\C(=O)c2cc(OC)cc(OC)c2)n(C)c1-c1ccccc1 ZINC000409206149 231180382 /nfs/dbraw/zinc/18/03/82/231180382.db2.gz HWGKBNBFHWDJMU-DQRAZIAOSA-N 0 0 382.485 4.074 40 0 GIABRN Cc1s/c(=N\S(=O)(=O)c2ccc(C)cc2)n(C)c1-c1ccc(Cl)cc1 ZINC000409204927 231180442 /nfs/dbraw/zinc/18/04/42/231180442.db2.gz MDDIZEUWUHUMPG-ZZEZOPTASA-N 0 0 392.933 4.313 40 0 GIABRN COc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccccc3C)n2)cc1 ZINC000409386300 231199533 /nfs/dbraw/zinc/19/95/33/231199533.db2.gz RZWIENYIKXJIQW-UHFFFAOYSA-N 0 0 379.485 4.500 40 0 GIABRN CCc1ccccc1NCc1cc(I)c(OC)c(OC)c1 ZINC000409116766 529601092 /nfs/dbraw/zinc/60/10/92/529601092.db2.gz LGFBMKAESDJLSP-UHFFFAOYSA-N 0 0 397.256 4.483 40 0 GIABRN CCc1ccc(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000408709619 529646974 /nfs/dbraw/zinc/64/69/74/529646974.db2.gz VEZOTEWDDVQNQE-UHFFFAOYSA-N 0 0 384.785 4.176 40 0 GIABRN CN(c1cccc(NC(=O)c2cc3c(ccc4ccccc34)o2)c1)S(C)(=O)=O ZINC000408616944 530035456 /nfs/dbraw/zinc/03/54/56/530035456.db2.gz DFUUUNQDUIYFPY-UHFFFAOYSA-N 0 0 394.452 4.234 40 0 GIABRN COc1ccccc1N(CC(=O)c1ccc2c(c1)OCCO2)C1=NCCCCC1 ZINC000007276456 209130218 /nfs/dbraw/zinc/13/02/18/209130218.db2.gz WJLANGOWDOEEDJ-UHFFFAOYSA-N 0 0 394.471 4.128 40 0 GIABRN O=C(NCc1ccccc1)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000005947004 209123525 /nfs/dbraw/zinc/12/35/25/209123525.db2.gz HWMAKJGPYTVKQD-GOEBONIOSA-N 0 0 390.365 4.066 40 0 GIABRN CC1=Nc2ncnn2[C@@H](c2ccc(Cl)c(Cl)c2)C1C(=O)OCC(C)C ZINC000000959071 209113360 /nfs/dbraw/zinc/11/33/60/209113360.db2.gz PAMJDVQFUZHIIJ-HNNXBMFYSA-N 0 0 381.263 4.073 40 0 GIABRN Cc1cc(C)c(NC(=O)COc2c(C)cc(C)cc2Br)c(N)c1 ZINC000070462919 209110208 /nfs/dbraw/zinc/11/02/08/209110208.db2.gz BCQPIKBVGPJOQK-UHFFFAOYSA-N 0 0 377.282 4.282 40 0 GIABRN Cc1cc(Br)ccc1Nc1cc(C(F)(F)F)nc(NC2CC2)n1 ZINC000329072180 206244500 /nfs/dbraw/zinc/24/45/00/206244500.db2.gz ZVLDPCWGTYSOAP-UHFFFAOYSA-N 0 0 387.203 4.306 40 0 GIABRN CCNc1nc(Nc2ccc(Br)c(C)c2)cc(-c2ccncc2)n1 ZINC000328980769 206239781 /nfs/dbraw/zinc/23/97/81/206239781.db2.gz GOSAELNOQDTBSV-UHFFFAOYSA-N 0 0 384.281 4.207 40 0 GIABRN CCc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(Nc2ccccc2)n1 ZINC000329014427 206241327 /nfs/dbraw/zinc/24/13/27/206241327.db2.gz MWQPZPJTTLOPLN-UHFFFAOYSA-N 0 0 390.487 4.363 40 0 GIABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccccn2)nc(NC(C)C)n1 ZINC000329008093 206241371 /nfs/dbraw/zinc/24/13/71/206241371.db2.gz LOWOBZIQKOQBIX-UHFFFAOYSA-N 0 0 387.409 4.274 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(NCc2ccccc2Cl)cc(-c2ccccc2)n1 ZINC000329047649 206242671 /nfs/dbraw/zinc/24/26/71/206242671.db2.gz UFXOJCUWWBGOEL-FQEVSTJZSA-N 0 0 396.922 4.260 40 0 GIABRN Cc1cccc(Cl)c1Nc1cc(-c2cccnc2)nc(NC2CCCC2)n1 ZINC000329047710 206242818 /nfs/dbraw/zinc/24/28/18/206242818.db2.gz UGPCIHMCRIOYAC-UHFFFAOYSA-N 0 0 379.895 4.442 40 0 GIABRN CNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000329040817 206242987 /nfs/dbraw/zinc/24/29/87/206242987.db2.gz SGFBLSPDYPDTJL-UHFFFAOYSA-N 0 0 378.785 4.445 40 0 GIABRN Cc1cc(Nc2cc(-c3ccncc3)nc(N[C@@H](CO)C(C)C)n2)ccc1F ZINC000329033831 206243128 /nfs/dbraw/zinc/24/31/28/206243128.db2.gz QWJXYROQJATQCP-IBGZPJMESA-N 0 0 381.455 4.159 40 0 GIABRN Clc1ccc(Br)cc1-c1nc2cc(-n3cnnc3)ccc2o1 ZINC000045920397 206263530 /nfs/dbraw/zinc/26/35/30/206263530.db2.gz IAWYKWSMXAUMHV-UHFFFAOYSA-N 0 0 375.613 4.491 40 0 GIABRN Cc1cc2[nH]c(=NN)sc2c(C)c1NC(=O)c1cccc(Br)c1 ZINC000045888973 206263573 /nfs/dbraw/zinc/26/35/73/206263573.db2.gz ADYFFEAYAYLELJ-UHFFFAOYSA-N 0 0 391.294 4.214 40 0 GIABRN CCOC(=O)[C@@H]1CC(=O)N(c2cccc(-c3nc4ccccc4s3)c2C)C1 ZINC000045886842 206264471 /nfs/dbraw/zinc/26/44/71/206264471.db2.gz HWMXBZHAECNZOD-CQSZACIVSA-N 0 0 380.469 4.188 40 0 GIABRN CCc1ccc2oc(-c3cc(N4C[C@H](C(=O)OC)CC4=O)ccc3Cl)nc2c1 ZINC000045887609 206264577 /nfs/dbraw/zinc/26/45/77/206264577.db2.gz ZGCJHITZPISQBP-CYBMUJFWSA-N 0 0 398.846 4.237 40 0 GIABRN CCc1cc(NC(N)=S)cc(C)c1NC(=O)c1ccc(Br)cc1 ZINC000045891060 206263423 /nfs/dbraw/zinc/26/34/23/206263423.db2.gz HXHDWCXDCOVXDX-UHFFFAOYSA-N 0 0 392.322 4.228 40 0 GIABRN COc1ccc(Nc2nc(C(=O)N3c4ccccc4C[C@@H]3C)cs2)cc1OC ZINC000009240261 206311778 /nfs/dbraw/zinc/31/17/78/206311778.db2.gz DYAQQYJARQTVDT-ZDUSSCGKSA-N 0 0 395.484 4.495 40 0 GIABRN CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCC(=O)Nc3ccccc3Cl)nnc12 ZINC000000755416 206320440 /nfs/dbraw/zinc/32/04/40/206320440.db2.gz SFRPIMMDMIMGDW-WYRIXSBYSA-N 0 0 388.924 4.431 40 0 GIABRN COc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1Br ZINC000000826622 206324949 /nfs/dbraw/zinc/32/49/49/206324949.db2.gz ZVDGAPOEPYPYIT-ZROIWOOFSA-N 0 0 392.636 4.456 40 0 GIABRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3n2)cc1 ZINC000000885967 206332102 /nfs/dbraw/zinc/33/21/02/206332102.db2.gz IJTCZZRCROSAFD-UHFFFAOYSA-N 0 0 378.819 4.335 40 0 GIABRN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(CNc2ccc(Cl)cc2)o1 ZINC000000897300 206332164 /nfs/dbraw/zinc/33/21/64/206332164.db2.gz NEOJGYUOWQSXKY-CHWSQXEVSA-N 0 0 394.928 4.217 40 0 GIABRN Cc1ccc(N2C(=O)CS(=O)(=O)[C@H]2c2ccc(Oc3ccccc3)cc2)cc1 ZINC000001083161 206350997 /nfs/dbraw/zinc/35/09/97/206350997.db2.gz SBOPPHPYUBJPSZ-QFIPXVFZSA-N 0 0 393.464 4.248 40 0 GIABRN Cc1c2c(ccc1Cl)[C@](O)([C@H](C(=O)c1ccccc1)c1ccccc1)C(=O)N2 ZINC000001624385 206386552 /nfs/dbraw/zinc/38/65/52/206386552.db2.gz WTTVOLUUKVXFHM-CVDCTZTESA-N 0 0 391.854 4.455 40 0 GIABRN O=C(c1ccc2c(c1)OCO2)[C@@H](Nc1ccccc1)c1ccc2c(c1)OCO2 ZINC000001593709 206386886 /nfs/dbraw/zinc/38/68/86/206386886.db2.gz NBSCXFKEBBNISS-NRFANRHFSA-N 0 0 375.380 4.180 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)OC1CCCCCC1 ZINC000001703541 206389573 /nfs/dbraw/zinc/38/95/73/206389573.db2.gz DAHHEAOCFCELBJ-UHFFFAOYSA-N 0 0 380.510 4.133 40 0 GIABRN COc1ccc(-c2cc(C(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)no2)cc1OC ZINC000004035349 206499633 /nfs/dbraw/zinc/49/96/33/206499633.db2.gz QHIPQNVMPVSFGX-NYHFZMIOSA-N 0 0 384.476 4.400 40 0 GIABRN COc1ccc(C(=O)CCCCC(=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000005514171 206616778 /nfs/dbraw/zinc/61/67/78/206616778.db2.gz JIJITAAGEBVRIP-UHFFFAOYSA-N 0 0 386.444 4.347 40 0 GIABRN COc1cc2cc(C)c3nnc(SCC(=O)c4ccccc4)n3c2cc1OC ZINC000035288656 206624645 /nfs/dbraw/zinc/62/46/45/206624645.db2.gz CDLRRRUBHBOSFU-UHFFFAOYSA-N 0 0 393.468 4.183 40 0 GIABRN CC1=Nc2nc3ccccc3n2[C@H](c2cccnc2)C1C(=O)OCc1ccccc1 ZINC000035315880 206641705 /nfs/dbraw/zinc/64/17/05/206641705.db2.gz FJHABGXFYSGEIX-JOCHJYFZSA-N 0 0 396.450 4.464 40 0 GIABRN CCc1ccc(OCC(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1 ZINC000006570435 206656006 /nfs/dbraw/zinc/65/60/06/206656006.db2.gz RHSGLORKLXJTIP-UHFFFAOYSA-N 0 0 397.544 4.131 40 0 GIABRN Fc1ccc(CN2CCO[C@H](c3nnn4cc(-c5cccs5)ccc34)C2)cc1 ZINC000306140570 209106690 /nfs/dbraw/zinc/10/66/90/209106690.db2.gz UXNQDODINLIVCF-IBGZPJMESA-N 0 0 394.475 4.170 40 0 GIABRN CC(C)Cn1cnc2c1C1(CCN(C(=O)CC3CC3)CC1)Oc1ccccc1-2 ZINC000306139749 209106418 /nfs/dbraw/zinc/10/64/18/209106418.db2.gz TZEFMUZIPZTYPC-UHFFFAOYSA-N 0 0 379.504 4.216 40 0 GIABRN S=C(NCc1ccc2c(c1)OCO2)c1ccc(OCc2ccccc2)cc1 ZINC000009188144 206776628 /nfs/dbraw/zinc/77/66/28/206776628.db2.gz GZQQUKGCKKKANK-UHFFFAOYSA-N 0 0 377.465 4.460 40 0 GIABRN Cn1c(CNc2ncc(-c3ccccn3)c(-c3ccco3)n2)nc2ccccc21 ZINC000012088356 206855592 /nfs/dbraw/zinc/85/55/92/206855592.db2.gz SOMQUHHLZJUZNE-UHFFFAOYSA-N 0 0 382.427 4.297 40 0 GIABRN CN(CCc1ccccn1)c1ncc(-c2ncc[nH]2)c(-c2ccc(Cl)cc2)n1 ZINC000012221355 206873867 /nfs/dbraw/zinc/87/38/67/206873867.db2.gz DCCOVNDYPPHKAB-UHFFFAOYSA-N 0 0 390.878 4.261 40 0 GIABRN O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000306141343 209106139 /nfs/dbraw/zinc/10/61/39/209106139.db2.gz VSQWMVTZFPJMOA-PKOBYXMFSA-N 0 0 387.551 4.232 40 0 GIABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)[C@H]4CC=CCC4)C3)cc2n1 ZINC000013225511 206971400 /nfs/dbraw/zinc/97/14/00/206971400.db2.gz YGCSCBLIDJCXOY-GJZGRUSLSA-N 0 0 392.425 4.119 40 0 GIABRN C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000014004457 207008308 /nfs/dbraw/zinc/00/83/08/207008308.db2.gz YDOXLGCMQXPVQU-SFHVURJKSA-N 0 0 388.467 4.065 40 0 GIABRN COc1ccc(-c2noc(CCC(=O)N[C@H](C)c3ccc(Cl)cc3)n2)cc1 ZINC000014058385 207008580 /nfs/dbraw/zinc/00/85/80/207008580.db2.gz RLBFUWWSTFJYND-CYBMUJFWSA-N 0 0 385.851 4.209 40 0 GIABRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000014022834 207007788 /nfs/dbraw/zinc/00/77/88/207007788.db2.gz BTCQFTPERLRAPT-NRFANRHFSA-N 0 0 380.488 4.417 40 0 GIABRN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000014582592 207024943 /nfs/dbraw/zinc/02/49/43/207024943.db2.gz IXUVVWYIRDHVMM-LBPRGKRZSA-N 0 0 389.477 4.376 40 0 GIABRN C[C@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000014737858 207028640 /nfs/dbraw/zinc/02/86/40/207028640.db2.gz NVMUCTCXMFGBIX-CABCVRRESA-N 0 0 376.294 4.354 40 0 GIABRN O=C1S/C(=C/c2cc3ccccc3oc2=O)C(=O)N1CCc1ccccc1 ZINC000015228754 207049227 /nfs/dbraw/zinc/04/92/27/207049227.db2.gz VQJBKIJIGKZZQX-QGOAFFKASA-N 0 0 377.421 4.072 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 ZINC000015412027 207050655 /nfs/dbraw/zinc/05/06/55/207050655.db2.gz XOFHUVISGBAMMY-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](C)Oc2cccc(Cl)c2)CC1 ZINC000015949956 207069084 /nfs/dbraw/zinc/06/90/84/207069084.db2.gz UYBZMLCQMBZOPJ-HNNXBMFYSA-N 0 0 393.314 4.418 40 0 GIABRN Cc1ccccc1Cn1c(CNC(=O)COc2ccccc2)nc2ccccc21 ZINC000016740581 207077951 /nfs/dbraw/zinc/07/79/51/207077951.db2.gz DCGWKFDVKZVEMW-UHFFFAOYSA-N 0 0 385.467 4.088 40 0 GIABRN O=[N+]([O-])C(=C/c1ccccc1)/C(=C(/Br)[N+](=O)[O-])c1ccccc1 ZINC000016952546 207080212 /nfs/dbraw/zinc/08/02/12/207080212.db2.gz AMJSDWFVTLSWMP-ILGRFDKMSA-N 0 0 375.178 4.345 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3ccccc3)c2)c1 ZINC000017334489 207090092 /nfs/dbraw/zinc/09/00/92/207090092.db2.gz SFUOFQPMKQLFCJ-UHFFFAOYSA-N 0 0 394.496 4.068 40 0 GIABRN CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccc(OC)cc1 ZINC000018131618 207093747 /nfs/dbraw/zinc/09/37/47/207093747.db2.gz KOWYXVWSPCZZNY-FZKQIMNGSA-N 0 0 392.293 4.493 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C(=O)CC(C)(C)C ZINC000019017476 207099040 /nfs/dbraw/zinc/09/90/40/207099040.db2.gz HOKPIXJXPIEIDE-VWPQPMDRSA-N 0 0 388.527 4.347 40 0 GIABRN Cc1cccc(-c2ccccc2C[C@@]2(C(N)=O)CCN(C(=O)CC(C)(C)C)C2)c1 ZINC000019235462 207110091 /nfs/dbraw/zinc/11/00/91/207110091.db2.gz YKJUZTTVIQRSKT-VWLOTQADSA-N 0 0 392.543 4.345 40 0 GIABRN Cc1cccc2c(C[C@H](C)NC(=O)CCc3nc(-c4cccs4)no3)c[nH]c21 ZINC000019236607 207110249 /nfs/dbraw/zinc/11/02/49/207110249.db2.gz AMWDAZRINNCWIJ-AWEZNQCLSA-N 0 0 394.500 4.268 40 0 GIABRN CC(C)C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)CC1 ZINC000019085205 207102117 /nfs/dbraw/zinc/10/21/17/207102117.db2.gz IFIPTFJZQBTKTH-LSDHHAIUSA-N 0 0 382.499 4.066 40 0 GIABRN Cc1cc(C(F)F)nn1[C@H](C)C(=O)N[C@H](Cc1cccs1)c1ccccn1 ZINC000019119060 207103003 /nfs/dbraw/zinc/10/30/03/207103003.db2.gz QZFVTIQCPSISMP-CZUORRHYSA-N 0 0 390.459 4.247 40 0 GIABRN Cc1cc(C(F)F)nn1[C@@H](C)C(=O)N[C@H](Cc1ccsc1)c1nccs1 ZINC000019119083 207103339 /nfs/dbraw/zinc/10/33/39/207103339.db2.gz YXLBQZAOYCSTHU-SMDDNHRTSA-N 0 0 396.488 4.308 40 0 GIABRN Cc1cc(C(F)F)nn1[C@@H](C)C(=O)N[C@H](Cc1cccs1)c1ccccn1 ZINC000019119058 207103492 /nfs/dbraw/zinc/10/34/92/207103492.db2.gz QZFVTIQCPSISMP-XJKSGUPXSA-N 0 0 390.459 4.247 40 0 GIABRN Cc1nn(C[C@@H](C)C(=O)N[C@@H](c2ccc(C)cc2)c2cccnc2)c(C)c1C ZINC000019136551 207104188 /nfs/dbraw/zinc/10/41/88/207104188.db2.gz PBQZXFWBFBVCPK-ZHRRBRCNSA-N 0 0 376.504 4.054 40 0 GIABRN Cc1nn(C[C@@H](C)C(=O)N[C@H](c2ccc(C)cc2)c2cccnc2)c(C)c1C ZINC000019136559 207104463 /nfs/dbraw/zinc/10/44/63/207104463.db2.gz PBQZXFWBFBVCPK-OPAMFIHVSA-N 0 0 376.504 4.054 40 0 GIABRN Cc1ccc([C@H](NC(=O)c2cc3ccc(N(C)C)cc3[nH]2)c2ccncc2)cc1 ZINC000019136814 207104639 /nfs/dbraw/zinc/10/46/39/207104639.db2.gz KNJNVZHACBKBSB-QHCPKHFHSA-N 0 0 384.483 4.457 40 0 GIABRN COc1cccc(-c2cc(C(=O)N[C@@H](c3ccc(C)cc3)c3cccnc3)[nH]n2)c1 ZINC000019136739 207104772 /nfs/dbraw/zinc/10/47/72/207104772.db2.gz SIWCBPNUMYGKCI-QHCPKHFHSA-N 0 0 398.466 4.308 40 0 GIABRN Cc1cc2nc([C@@H]3CCCN3C(=O)CCn3ccnc3C(C)C)[nH]c2cc1C ZINC000019125350 207104945 /nfs/dbraw/zinc/10/49/45/207104945.db2.gz VXYUHVNRSIIIJC-IBGZPJMESA-N 0 0 379.508 4.253 40 0 GIABRN Cc1ccc(O[C@H](C)C(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)c(C)c1 ZINC000019132661 207105103 /nfs/dbraw/zinc/10/51/03/207105103.db2.gz MPJOBHHDQVHSQN-QGZVFWFLSA-N 0 0 377.488 4.353 40 0 GIABRN Cc1cc2nccc([C@@H]3CCCCN3C(=O)CCCOc3ccccc3F)n2n1 ZINC000019130527 207105313 /nfs/dbraw/zinc/10/53/13/207105313.db2.gz NSTKWFBWSJTJOO-SFHVURJKSA-N 0 0 396.466 4.090 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)cc1 ZINC000019211512 207105720 /nfs/dbraw/zinc/10/57/20/207105720.db2.gz IJHVFSPKGQQESS-MRXNPFEDSA-N 0 0 389.502 4.022 40 0 GIABRN O=C(C[C@@H](NCc1ccccn1)c1ccccc1)c1cc2ccccc2oc1=O ZINC000019203792 207105893 /nfs/dbraw/zinc/10/58/93/207105893.db2.gz AZTWHFOLVJLUQS-OAQYLSRUSA-N 0 0 384.435 4.292 40 0 GIABRN Cc1ccc(-c2nnc(CNC(=O)C3(c4ccccc4F)CCCC3)o2)s1 ZINC000019217893 207107247 /nfs/dbraw/zinc/10/72/47/207107247.db2.gz JNGXEDGENWBQAC-UHFFFAOYSA-N 0 0 385.464 4.374 40 0 GIABRN Cc1ccc2[nH]c([C@@H]3CCCCN3C(=O)c3ccc(Cn4cccn4)o3)nc2c1 ZINC000019221492 207107543 /nfs/dbraw/zinc/10/75/43/207107543.db2.gz YPFKRLXMXQUVCU-IBGZPJMESA-N 0 0 389.459 4.077 40 0 GIABRN Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3cc(F)cc(F)c3)C2)n1 ZINC000019286825 207112952 /nfs/dbraw/zinc/11/29/52/207112952.db2.gz BEXVRRHGHAKZRN-INIZCTEOSA-N 0 0 394.425 4.145 40 0 GIABRN Cn1nc(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c2nccnc21 ZINC000019289442 207112982 /nfs/dbraw/zinc/11/29/82/207112982.db2.gz CLBQVULMRLEASC-UHFFFAOYSA-N 0 0 376.291 4.050 40 0 GIABRN COc1ccc(C(=O)N2CCC(c3cc(-c4cccc(F)c4)n(C)n3)CC2)cc1 ZINC000019288861 207113109 /nfs/dbraw/zinc/11/31/09/207113109.db2.gz QFRPKBAYYXKTTK-UHFFFAOYSA-N 0 0 393.462 4.255 40 0 GIABRN O=C(CCc1ccccc1)N1CCCC[C@H]1c1nc(-c2ccsc2)cc(=O)[nH]1 ZINC000019370777 207120637 /nfs/dbraw/zinc/12/06/37/207120637.db2.gz FKQPQMWZLLPRLF-IBGZPJMESA-N 0 0 393.512 4.185 40 0 GIABRN C[C@@H](Cn1cnc2ccccc21)C(=O)NCCc1nc(-c2ccccc2)cs1 ZINC000019457762 207124129 /nfs/dbraw/zinc/12/41/29/207124129.db2.gz PEIVFXGNJXCWBQ-INIZCTEOSA-N 0 0 390.512 4.155 40 0 GIABRN CCNC(=O)[C@]1(Cc2ccccc2-c2ccc(C)cc2)CCCN(C(=O)CC)C1 ZINC000019498658 207125138 /nfs/dbraw/zinc/12/51/38/207125138.db2.gz KWXCSVFLUAJXFJ-VWLOTQADSA-N 0 0 392.543 4.359 40 0 GIABRN CCC(=O)N1CC[C@@](Cc2ccccc2-c2cccs2)(C(=O)NCC(C)C)C1 ZINC000019498484 207125330 /nfs/dbraw/zinc/12/53/30/207125330.db2.gz BNJQKABCVBJZLK-QHCPKHFHSA-N 0 0 398.572 4.359 40 0 GIABRN COc1ccc([C@H]2CCCN2C(=O)CCc2ccc3c(c2)C[C@@H](C)O3)cc1OC ZINC000019498120 207125901 /nfs/dbraw/zinc/12/59/01/207125901.db2.gz LTIKYALRQOYAEH-OXQOHEQNSA-N 0 0 395.499 4.324 40 0 GIABRN CC[C@@H](C(=O)N1CCC[C@H](c2ccnc(-c3ccncc3)n2)C1)c1ccccc1 ZINC000019500543 207126362 /nfs/dbraw/zinc/12/63/62/207126362.db2.gz LIVMGLMNEMNWOL-LEWJYISDSA-N 0 0 386.499 4.438 40 0 GIABRN CCCC(=O)N1CCC[C@](Cc2ccccc2-c2ccc(C)cc2)(C(=O)NC)C1 ZINC000019501237 207126607 /nfs/dbraw/zinc/12/66/07/207126607.db2.gz MABTUXPAGNCBFY-RUZDIDTESA-N 0 0 392.543 4.359 40 0 GIABRN CCc1onc(C)c1-c1nc(NCc2ccccc2C)ncc1-c1cnccn1 ZINC000019521176 207127422 /nfs/dbraw/zinc/12/74/22/207127422.db2.gz NIXKMVMFJCGLAC-UHFFFAOYSA-N 0 0 386.459 4.380 40 0 GIABRN CCn1c2ccc(NC(=O)c3cccc(Cn4cncn4)c3)cc2nc1C(C)C ZINC000019524260 207128238 /nfs/dbraw/zinc/12/82/38/207128238.db2.gz DQQMRSYJDJTJJQ-UHFFFAOYSA-N 0 0 388.475 4.072 40 0 GIABRN CCn1cc(CN2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cn1 ZINC000019524928 207128410 /nfs/dbraw/zinc/12/84/10/207128410.db2.gz KFEHKTOGUTZXIJ-LJQANCHMSA-N 0 0 394.475 4.404 40 0 GIABRN CCn1cc(C(=O)N2CCC(c3cc4cc(OC)c(C)cc4cn3)CC2)c(C)n1 ZINC000019524448 207129135 /nfs/dbraw/zinc/12/91/35/207129135.db2.gz LJCLMTDALYPMRW-UHFFFAOYSA-N 0 0 392.503 4.096 40 0 GIABRN CCOc1cc2c(cc1CN[C@H](Cc1cccs1)c1nccs1)OCO2 ZINC000019532519 207129925 /nfs/dbraw/zinc/12/99/25/207129925.db2.gz DGFBOHUEJBWSFY-OAHLLOKOSA-N 0 0 388.514 4.406 40 0 GIABRN COCCC(=O)N1CCC[C@H](c2noc3nc(C(C)C)cc(C(F)(F)F)c32)C1 ZINC000019452006 207122538 /nfs/dbraw/zinc/12/25/38/207122538.db2.gz HLJHQBVRZIUZEX-LBPRGKRZSA-N 0 0 399.413 4.108 40 0 GIABRN CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)CCC(C)C)CC2)C1 ZINC000019446929 207122604 /nfs/dbraw/zinc/12/26/04/207122604.db2.gz JWLZKZUXUJMBDI-UHFFFAOYSA-N 0 0 386.536 4.004 40 0 GIABRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000019560994 207134694 /nfs/dbraw/zinc/13/46/94/207134694.db2.gz NDAONUIKXYUCIA-LLVKDONJSA-N 0 0 397.431 4.229 40 0 GIABRN COc1ccc([C@@H](C)NC(=O)c2cccc(Cn3nc(C)cc3C)c2)cc1F ZINC000019574507 207137698 /nfs/dbraw/zinc/13/76/98/207137698.db2.gz BWSYDTKDMATTFV-MRXNPFEDSA-N 0 0 381.451 4.187 40 0 GIABRN Cc1cc(C)n(Cc2c(C)onc2C(=O)Nc2nc3c(s2)CCCCCC3)n1 ZINC000019574370 207137705 /nfs/dbraw/zinc/13/77/05/207137705.db2.gz XZUUJRZPJCCEAS-UHFFFAOYSA-N 0 0 399.520 4.212 40 0 GIABRN Cc1nn([C@@H](C)CC(=O)N[C@H](c2cccs2)c2ccncc2)c(C)c1Cl ZINC000019577553 207138221 /nfs/dbraw/zinc/13/82/21/207138221.db2.gz HUJRZQUXFLGYSG-BUXKBTBVSA-N 0 0 388.924 4.467 40 0 GIABRN Cc1n[nH]c(C)c1Cc1c(C)onc1C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000019579091 207138262 /nfs/dbraw/zinc/13/82/62/207138262.db2.gz QEHZEUQHOGANCE-LBPRGKRZSA-N 0 0 395.488 4.014 40 0 GIABRN C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)C[C@H]3C=CCC3)cc2N1 ZINC000019574684 207138387 /nfs/dbraw/zinc/13/83/87/207138387.db2.gz AUDNGWRQGZVVMW-BFJAYTPKSA-N 0 0 382.430 4.210 40 0 GIABRN Cc1onc(-c2cccnc2)c1C(=O)N[C@@H](Cc1ccsc1)c1nccs1 ZINC000019579709 207139790 /nfs/dbraw/zinc/13/97/90/207139790.db2.gz LQXGRJDPLIAKKB-HNNXBMFYSA-N 0 0 396.497 4.277 40 0 GIABRN Cc1nc2ccccn2c1CN1CCCC[C@H]1c1nnc(-c2ccsc2)o1 ZINC000019555005 207132988 /nfs/dbraw/zinc/13/29/88/207132988.db2.gz TYZCIQKINSUXCF-INIZCTEOSA-N 0 0 379.489 4.481 40 0 GIABRN COc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2Cl)cc1 ZINC000019553186 207133151 /nfs/dbraw/zinc/13/31/51/207133151.db2.gz PSQJZXDEIXVHRF-HXUWFJFHSA-N 0 0 395.890 4.401 40 0 GIABRN Cc1c(-c2cc(C(=O)Nc3nc4c(s3)C[C@@H](C(C)(C)C)CC4)on2)cnn1C ZINC000019554277 207133330 /nfs/dbraw/zinc/13/33/30/207133330.db2.gz KPSBVRUOVMKPEC-LBPRGKRZSA-N 0 0 399.520 4.243 40 0 GIABRN COc1cccc([C@@H]2CCCN2C(=O)C2(c3cccc(F)c3)CCOCC2)c1 ZINC000019662010 207147551 /nfs/dbraw/zinc/14/75/51/207147551.db2.gz AJUQJPXFKSNBNJ-NRFANRHFSA-N 0 0 383.463 4.246 40 0 GIABRN O=C(CCCc1ccc(F)cc1)N1CCC[C@H]1c1ccc(-c2cncnc2)cn1 ZINC000019688959 207147969 /nfs/dbraw/zinc/14/79/69/207147969.db2.gz HTFSDOLAAKZCBN-QFIPXVFZSA-N 0 0 390.462 4.364 40 0 GIABRN O=C(c1ccccc1)N1CCC[C@H]1c1cc(CCOc2ccc(F)cc2)n[nH]1 ZINC000019703659 207149970 /nfs/dbraw/zinc/14/99/70/207149970.db2.gz UAZTXUASZFQPIR-NRFANRHFSA-N 0 0 379.435 4.148 40 0 GIABRN CN(C)C(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2CCC2)C1 ZINC000019579754 207140548 /nfs/dbraw/zinc/14/05/48/207140548.db2.gz AKXSSEAFUBJDPX-VWLOTQADSA-N 0 0 390.527 4.003 40 0 GIABRN CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)C2CCC2)C1 ZINC000019591033 207142291 /nfs/dbraw/zinc/14/22/91/207142291.db2.gz SJHFAAPXYCFERR-QHCPKHFHSA-N 0 0 396.556 4.113 40 0 GIABRN COc1cc(CNc2ncc(-c3ccncc3)c([C@H]3CCCO3)n2)cc(OC)c1 ZINC000019595157 207143880 /nfs/dbraw/zinc/14/38/80/207143880.db2.gz ZZNIYYWOUYGCRZ-HXUWFJFHSA-N 0 0 392.459 4.019 40 0 GIABRN COc1ccc([C@H](NC(=O)c2ccc(-n3nc(C)cc3C)cc2)C2CC2)cc1 ZINC000019660017 207145150 /nfs/dbraw/zinc/14/51/50/207145150.db2.gz UKKJMAXMQJPZDL-JOCHJYFZSA-N 0 0 375.472 4.379 40 0 GIABRN Cc1nc(C)n([C@@H](C)CC(=O)Nc2ccc3c(c2)CN(Cc2ccccc2)C3)n1 ZINC000019657152 207146332 /nfs/dbraw/zinc/14/63/32/207146332.db2.gz BTFKMBBJKDFCBO-INIZCTEOSA-N 0 0 389.503 4.001 40 0 GIABRN Cc1cc(-c2cc(C)ccc2NC(=O)COCc2nc3cc(C)ccc3[nH]2)n[nH]1 ZINC000019662354 207146666 /nfs/dbraw/zinc/14/66/66/207146666.db2.gz VFLIIKKUESTPBE-UHFFFAOYSA-N 0 0 389.459 4.034 40 0 GIABRN Cc1[nH]c2c(c1CC(=O)N(Cc1ccccn1)C[C@H]1CCCO1)c(C)ccc2C ZINC000019660790 207146808 /nfs/dbraw/zinc/14/68/08/207146808.db2.gz VNJLRXCXZLHZQM-HXUWFJFHSA-N 0 0 391.515 4.238 40 0 GIABRN Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(-c2ccccn2)nc2ccc(C)cc21 ZINC000019665130 207146928 /nfs/dbraw/zinc/14/69/28/207146928.db2.gz JXWOASIDMNMJRD-OAHLLOKOSA-N 0 0 385.471 4.138 40 0 GIABRN CN(C)Cc1cc([C@@H]2CCCCN2C(=O)C2(c3ccccc3)CCCC2)nn1C ZINC000019709126 207151108 /nfs/dbraw/zinc/15/11/08/207151108.db2.gz QEGLENGJRJNASB-QFIPXVFZSA-N 0 0 394.563 4.047 40 0 GIABRN COc1ccc([C@@H]2CCCN2C(=O)c2cc(COc3ccc(F)cc3)on2)cc1 ZINC000019714666 207151683 /nfs/dbraw/zinc/15/16/83/207151683.db2.gz FXZRXKCWMYEFMJ-NRFANRHFSA-N 0 0 396.418 4.379 40 0 GIABRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(Cl)c(N2CCCCC2)c1 ZINC000019714944 207151988 /nfs/dbraw/zinc/15/19/88/207151988.db2.gz FBAMSUHWSLBPBE-AWEZNQCLSA-N 0 0 388.943 4.042 40 0 GIABRN CC(=O)N1CCC[C@H](c2cc(Oc3cccc(F)c3)nc(-c3cccnc3)n2)C1 ZINC000019717409 207153667 /nfs/dbraw/zinc/15/36/67/207153667.db2.gz XURVTVFSOXYOFK-KRWDZBQOSA-N 0 0 392.434 4.196 40 0 GIABRN Cc1c([C@@H](C)NC(=O)c2cc(-c3cccnc3)nc3c(C)cccc23)cnn1C ZINC000019716688 207153810 /nfs/dbraw/zinc/15/38/10/207153810.db2.gz IRTYHQCCCLONSX-OAHLLOKOSA-N 0 0 385.471 4.138 40 0 GIABRN CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cnn(Cc4ccccc4F)c3)c2C1 ZINC000019715668 207154397 /nfs/dbraw/zinc/15/43/97/207154397.db2.gz NNKMJHDYEGYMPR-HNNXBMFYSA-N 0 0 396.466 4.462 40 0 GIABRN Cc1ccc([C@]2(O)CCN(C(=O)c3cc4cc(Cl)ccc4nc3C)C2)cc1 ZINC000019718661 207155087 /nfs/dbraw/zinc/15/50/87/207155087.db2.gz WELDGTPVOXVBRA-QFIPXVFZSA-N 0 0 380.875 4.239 40 0 GIABRN Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000019718659 207155335 /nfs/dbraw/zinc/15/53/35/207155335.db2.gz FSYPPAPJWKCCNN-UHFFFAOYSA-N 0 0 377.835 4.089 40 0 GIABRN COc1ccccc1CCNc1cc([C@H](C)Cn2nc(C)c(C)c2C)nc(C)n1 ZINC000019717910 207155514 /nfs/dbraw/zinc/15/55/14/207155514.db2.gz VEZTYVWQIGMBSD-OAHLLOKOSA-N 0 0 393.535 4.374 40 0 GIABRN O=C(c1ccccc1)N1CCC([C@@H]2CCCCN(Cc3ccccc3)C2=O)CC1 ZINC000019744860 207158177 /nfs/dbraw/zinc/15/81/77/207158177.db2.gz UPGBKCDWJKTOMY-QHCPKHFHSA-N 0 0 390.527 4.368 40 0 GIABRN Cc1ccc(NC(=O)c2nnc3c(-c4ccccc4)cnn3c2C)cc1Cl ZINC000019817062 207164278 /nfs/dbraw/zinc/16/42/78/207164278.db2.gz YECAGJQNLVVBBM-UHFFFAOYSA-N 0 0 377.835 4.314 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1OC ZINC000020047889 207176405 /nfs/dbraw/zinc/17/64/05/207176405.db2.gz RLEVKOAETVLJHT-QFIPXVFZSA-N 0 0 397.496 4.080 40 0 GIABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)c1 ZINC000020105751 207178081 /nfs/dbraw/zinc/17/80/81/207178081.db2.gz DABDLYCJZJZAKX-SFHVURJKSA-N 0 0 380.488 4.254 40 0 GIABRN COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)o1 ZINC000019928431 207169989 /nfs/dbraw/zinc/16/99/89/207169989.db2.gz CEVBZFFJDVFZCF-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN CCOc1ccc([C@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000019933014 207171747 /nfs/dbraw/zinc/17/17/47/207171747.db2.gz NCERPXLQTNPILL-IPJDOKCGSA-N 0 0 385.460 4.002 40 0 GIABRN COc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3C)o2)c1 ZINC000019928590 207171927 /nfs/dbraw/zinc/17/19/27/207171927.db2.gz HSSNDJDVYXQQSZ-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN O=C(Nc1cccc2ccccc21)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000019935593 207171966 /nfs/dbraw/zinc/17/19/66/207171966.db2.gz VIWKJEUURDITGZ-UHFFFAOYSA-N 0 0 398.459 4.016 40 0 GIABRN Cc1ccc(-n2ccc3nc4ncnn4c(-c4ccccc4)c3c2=O)cc1Cl ZINC000019960218 207172513 /nfs/dbraw/zinc/17/25/13/207172513.db2.gz AHOLVKOMTLMNPV-UHFFFAOYSA-N 0 0 387.830 4.057 40 0 GIABRN COC(=O)c1c(C)nc2ccn(-c3cccc(F)c3)c(=O)c2c1-c1ccccc1 ZINC000019962822 207173012 /nfs/dbraw/zinc/17/30/12/207173012.db2.gz WBGZTTOJEXORMR-UHFFFAOYSA-N 0 0 388.398 4.287 40 0 GIABRN CCOc1ccc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1C ZINC000020029942 207174625 /nfs/dbraw/zinc/17/46/25/207174625.db2.gz XODOOUHYZKGFEC-UHFFFAOYSA-N 0 0 377.359 4.352 40 0 GIABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc(C)cc1C ZINC000020144050 207180157 /nfs/dbraw/zinc/18/01/57/207180157.db2.gz XZRFBOLFZIITCS-UHFFFAOYSA-N 0 0 381.428 4.082 40 0 GIABRN COc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1-c1ccc(CO)o1 ZINC000020144166 207180808 /nfs/dbraw/zinc/18/08/08/207180808.db2.gz CWBQFTYYCLXCGK-UHFFFAOYSA-N 0 0 387.819 4.118 40 0 GIABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1cccc(C)c1C ZINC000020144014 207181021 /nfs/dbraw/zinc/18/10/21/207181021.db2.gz WZBOIQAJUIJAQI-UHFFFAOYSA-N 0 0 381.428 4.082 40 0 GIABRN Cc1nccn1-c1ccccc1CNC(=O)CCCOc1ccc(Cl)cc1 ZINC000020489443 207197794 /nfs/dbraw/zinc/19/77/94/207197794.db2.gz MTBURCRSLQKYFX-UHFFFAOYSA-N 0 0 383.879 4.310 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc(OC)c2)cc1Cl ZINC000020458407 207194143 /nfs/dbraw/zinc/19/41/43/207194143.db2.gz GUUMTMWHIKDASR-GOSISDBHSA-N 0 0 391.851 4.321 40 0 GIABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(-n2ccnc2C)cc1 ZINC000020453896 207194828 /nfs/dbraw/zinc/19/48/28/207194828.db2.gz USTVAMULQRKVEV-HXUWFJFHSA-N 0 0 383.879 4.308 40 0 GIABRN CCCCN1c2nc3ccccc3n2[C@H](c2cccs2)[C@H](C(=O)OCC)C1=O ZINC000020638252 207208833 /nfs/dbraw/zinc/20/88/33/207208833.db2.gz PHISWMAAZANMPA-ZWKOTPCHSA-N 0 0 397.500 4.013 40 0 GIABRN COc1ccc(SCC(=O)NCCSc2ccc(C)cc2)cc1OC ZINC000020493725 207199783 /nfs/dbraw/zinc/19/97/83/207199783.db2.gz CZFRMXCPZPUACJ-UHFFFAOYSA-N 0 0 377.531 4.013 40 0 GIABRN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)Nc1ccccc1F ZINC000020529985 207201580 /nfs/dbraw/zinc/20/15/80/207201580.db2.gz WPVNQJBXFKEVRN-UHFFFAOYSA-N 0 0 385.386 4.244 40 0 GIABRN CC1=C(C(=O)NCCc2ccc(Cl)cc2)[C@@H](c2ccccc2Cl)NO1 ZINC000020568899 207204705 /nfs/dbraw/zinc/20/47/05/207204705.db2.gz UCKYLYGDSAYGMG-GOSISDBHSA-N 0 0 377.271 4.202 40 0 GIABRN Cc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c(C)c1 ZINC000020610430 207207471 /nfs/dbraw/zinc/20/74/71/207207471.db2.gz CUHSZTQZVSCYME-UHFFFAOYSA-N 0 0 390.418 4.194 40 0 GIABRN Nc1nc(N2CCCCC2)nc2nc3c(c(C=Cc4ccccc4)c12)C(=O)CCC3 ZINC000020673598 207210378 /nfs/dbraw/zinc/21/03/78/207210378.db2.gz UQJOOMORFMSLED-OUKQBFOZSA-N 0 0 399.498 4.287 40 0 GIABRN CCn1cc(C(=O)NCc2ccc(C)cc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236671 207249149 /nfs/dbraw/zinc/24/91/49/207249149.db2.gz LPIPEMIQBUBEFK-UHFFFAOYSA-N 0 0 388.389 4.279 40 0 GIABRN CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1c(CC)cccc1CC)cn2C ZINC000022237367 207250149 /nfs/dbraw/zinc/25/01/49/207250149.db2.gz DXPCDMRZEHZAJU-UHFFFAOYSA-N 0 0 378.472 4.314 40 0 GIABRN CCc1nc2ccc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)cc2s1 ZINC000022255060 207250487 /nfs/dbraw/zinc/25/04/87/207250487.db2.gz OXSOTZUUHMJVED-UHFFFAOYSA-N 0 0 382.894 4.322 40 0 GIABRN CCc1nc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2s1 ZINC000022255097 207250717 /nfs/dbraw/zinc/25/07/17/207250717.db2.gz NYFJJVRCZWKQPG-UHFFFAOYSA-N 0 0 397.319 4.422 40 0 GIABRN CCCN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000022256831 207251131 /nfs/dbraw/zinc/25/11/31/207251131.db2.gz KWUMAMFCFVYRGZ-UHFFFAOYSA-N 0 0 399.516 4.461 40 0 GIABRN COc1ccc(-c2cc(-c3nn4c(nnc4-c4cccc(F)c4)s3)n[nH]2)cc1 ZINC000022505206 207255752 /nfs/dbraw/zinc/25/57/52/207255752.db2.gz LNKQPVZPDFREBM-UHFFFAOYSA-N 0 0 392.419 4.058 40 0 GIABRN COc1ccc(Nc2nc3nccc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)cc1 ZINC000022607586 207256308 /nfs/dbraw/zinc/25/63/08/207256308.db2.gz GOEYDXJAEJKLPC-UHFFFAOYSA-N 0 0 378.819 4.391 40 0 GIABRN O=c1[nH]c(N2CCc3ccccc3C2)nc2nccc(-c3ccc(Cl)cc3)c12 ZINC000022606777 207256438 /nfs/dbraw/zinc/25/64/38/207256438.db2.gz BYDYCVHYQMNVHW-UHFFFAOYSA-N 0 0 388.858 4.201 40 0 GIABRN COc1cc(C=O)ccc1OCc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000022987903 207267129 /nfs/dbraw/zinc/26/71/29/207267129.db2.gz HNLHZQIGWRRAEU-UHFFFAOYSA-N 0 0 378.306 4.156 40 0 GIABRN O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1cc2c(s1)CCC2 ZINC000024562695 207291741 /nfs/dbraw/zinc/29/17/41/207291741.db2.gz KERSRLVOKZCPJM-SFHVURJKSA-N 0 0 377.513 4.289 40 0 GIABRN CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1OCC ZINC000027377299 207323726 /nfs/dbraw/zinc/32/37/26/207323726.db2.gz JMRMXRQDCIARAK-UHFFFAOYSA-N 0 0 384.476 4.122 40 0 GIABRN C[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000026556215 207315595 /nfs/dbraw/zinc/31/55/95/207315595.db2.gz YZWDTPSFPOPNQD-WPBGYSLVSA-N 0 0 385.529 4.278 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000028189276 207334990 /nfs/dbraw/zinc/33/49/90/207334990.db2.gz JKOMOCZBAOERTC-UHFFFAOYSA-N 0 0 399.497 4.162 40 0 GIABRN CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-n1cccc1 ZINC000028534655 207344078 /nfs/dbraw/zinc/34/40/78/207344078.db2.gz RCGXKCWJZDKBNQ-UHFFFAOYSA-N 0 0 396.303 4.126 40 0 GIABRN O=C(CN(c1ccccc1)C1=NCCCS1)c1ccc(OC(F)F)cc1 ZINC000028527212 207343292 /nfs/dbraw/zinc/34/32/92/207343292.db2.gz YPKGCPVDVKIWDB-UHFFFAOYSA-N 0 0 376.428 4.470 40 0 GIABRN COc1ccc2nc(C)c(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc2c1 ZINC000030778709 207373584 /nfs/dbraw/zinc/37/35/84/207373584.db2.gz CNULYQVPTTZLAB-UHFFFAOYSA-N 0 0 389.499 4.131 40 0 GIABRN COc1ccc(S[C@H](C)C(=O)NCCSc2ccccc2)cc1OC ZINC000030754389 207373661 /nfs/dbraw/zinc/37/36/61/207373661.db2.gz NHLSTCATILYRKJ-CQSZACIVSA-N 0 0 377.531 4.093 40 0 GIABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 ZINC000030847268 207376072 /nfs/dbraw/zinc/37/60/72/207376072.db2.gz RUSPJHMOSLLXQV-AWEZNQCLSA-N 0 0 386.517 4.343 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1 ZINC000030943418 207377030 /nfs/dbraw/zinc/37/70/30/207377030.db2.gz CWURNGJINFWRLW-UHFFFAOYSA-N 0 0 377.444 4.141 40 0 GIABRN COc1ccc([C@@H]2C[C@](C)(N3CCCC3)Oc3cc4c(cc32)OCO4)c(OC)c1 ZINC000031430378 207381781 /nfs/dbraw/zinc/38/17/81/207381781.db2.gz CBYNWEMJTGYPFZ-FDDCHVKYSA-N 0 0 397.471 4.159 40 0 GIABRN O=C(CC[NH+]1CCCC1)C[C@@H](c1ccccc1)c1c(=O)oc2ccccc2c1[O-] ZINC000031841720 207386040 /nfs/dbraw/zinc/38/60/40/207386040.db2.gz VHJRIUZUBOUWSO-FQEVSTJZSA-N 0 0 391.467 4.076 40 0 GIABRN COc1cccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)c(C)s2)c1 ZINC000032115638 207393619 /nfs/dbraw/zinc/39/36/19/207393619.db2.gz QANBPMMUGYLOLA-UHFFFAOYSA-N 0 0 384.457 4.397 40 0 GIABRN CCCCc1ccc2[nH]c(=NC(=S)NC(=O)c3cccc(OC)c3)sc2c1 ZINC000032119048 207394128 /nfs/dbraw/zinc/39/41/28/207394128.db2.gz OAOPTURNXIHHKI-UHFFFAOYSA-N 0 0 399.541 4.196 40 0 GIABRN O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(Cl)cc1Cl ZINC000032118708 207396001 /nfs/dbraw/zinc/39/60/01/207396001.db2.gz DXUONADJRRPUDL-UHFFFAOYSA-N 0 0 383.344 4.422 40 0 GIABRN C[C@@H](NC(=O)CSCc1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000069429146 207927636 /nfs/dbraw/zinc/92/76/36/207927636.db2.gz FPHAOKTTXXCMGG-CYBMUJFWSA-N 0 0 377.893 4.222 40 0 GIABRN COc1cccc(-c2nccc([C@H]3CCCN3C(=O)c3ccc4[nH]cnc4c3)n2)c1 ZINC000072355865 208001238 /nfs/dbraw/zinc/00/12/38/208001238.db2.gz PQZIJRVWLDCPHM-OAQYLSRUSA-N 0 0 399.454 4.006 40 0 GIABRN Cc1cc(C)nc(N2CC[C@H](c3c4ccccc4sc3C(=O)NC(C)C)C2)n1 ZINC000072352410 208001287 /nfs/dbraw/zinc/00/12/87/208001287.db2.gz PJASIOPMAZNOOT-INIZCTEOSA-N 0 0 394.544 4.440 40 0 GIABRN Cc1cc(N2CC[C@H](c3c4ccccc4sc3C(=O)NC(C)C)C2)nc(C)n1 ZINC000072352434 208001996 /nfs/dbraw/zinc/00/19/96/208001996.db2.gz PZLHSUKOWKRFLX-INIZCTEOSA-N 0 0 394.544 4.440 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)s1 ZINC000072362520 208002812 /nfs/dbraw/zinc/00/28/12/208002812.db2.gz NPECMZAXSBWWHC-INIZCTEOSA-N 0 0 394.500 4.362 40 0 GIABRN CCn1ccnc1CN1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359820 208003853 /nfs/dbraw/zinc/00/38/53/208003853.db2.gz WTMIPEVHFDCBNS-QGZVFWFLSA-N 0 0 381.911 4.393 40 0 GIABRN COc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 ZINC000072362465 208003980 /nfs/dbraw/zinc/00/39/80/208003980.db2.gz UXYJGMNWXRIMOE-QGZVFWFLSA-N 0 0 381.476 4.174 40 0 GIABRN CCc1nnc([N-]c2cncc([C@@H]3CCC[N@@H+]3Cc3ccccc3C)n2)s1 ZINC000072376313 208008028 /nfs/dbraw/zinc/00/80/28/208008028.db2.gz RLBUNCWIIFUAMG-KRWDZBQOSA-N 0 0 380.521 4.280 40 0 GIABRN Cc1ccc(Nc2nccc([C@H]3CCCN3C(=O)c3ccc(F)cc3)n2)nc1 ZINC000072377518 208010321 /nfs/dbraw/zinc/01/03/21/208010321.db2.gz FXFSQFCVEZHOHF-GOSISDBHSA-N 0 0 377.423 4.040 40 0 GIABRN CC(C)c1nccn1-c1cccc(C2CCN(C(=O)Cc3ccccc3)CC2)n1 ZINC000072378433 208010332 /nfs/dbraw/zinc/01/03/32/208010332.db2.gz RSZDGSVZPNWKJQ-UHFFFAOYSA-N 0 0 388.515 4.339 40 0 GIABRN Cc1cccc(Nc2cc(CC3CCN(C(=O)OC(C)(C)C)CC3)ncn2)n1 ZINC000072383448 208011494 /nfs/dbraw/zinc/01/14/94/208011494.db2.gz FXJQECHFBNBDIX-UHFFFAOYSA-N 0 0 383.496 4.113 40 0 GIABRN Cc1nccn1-c1cccc([C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 ZINC000072378898 208011918 /nfs/dbraw/zinc/01/19/18/208011918.db2.gz QRFDJOPEAFHMRN-SFHVURJKSA-N 0 0 399.498 4.006 40 0 GIABRN COc1ccc(O[C@@H](C)C(=O)NCCSCc2cccc(Cl)c2)cc1 ZINC000408705628 533025664 /nfs/dbraw/zinc/02/56/64/533025664.db2.gz KFFBPAIGQDYSEF-AWEZNQCLSA-N 0 0 379.909 4.166 40 0 GIABRN CC(=O)Nc1ccc(Br)cc1C(=O)OCc1ccc(Cl)cc1 ZINC000016321391 208149529 /nfs/dbraw/zinc/14/95/29/208149529.db2.gz GXWCVIQZASXFFR-UHFFFAOYSA-N 0 0 382.641 4.418 40 0 GIABRN CN(C)C(=O)n1c(C(=O)N2CCCCC2)cc2c1c1ccccc1n2CC1CC1 ZINC000096146522 208273141 /nfs/dbraw/zinc/27/31/41/208273141.db2.gz QTQIDYOBKNRYSE-UHFFFAOYSA-N 0 0 392.503 4.162 40 0 GIABRN O=C(c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1)N1CCCCC1 ZINC000096146554 208273266 /nfs/dbraw/zinc/27/32/66/208273266.db2.gz GTTZWXKAOQGSRX-UHFFFAOYSA-N 0 0 399.498 4.411 40 0 GIABRN COc1ccc(-c2nc(-c3noc4ccc(C(=O)N(C)C)cc43)cs2)cc1 ZINC000096154443 208278195 /nfs/dbraw/zinc/27/81/95/208278195.db2.gz YPRLJGCFOWMOPR-UHFFFAOYSA-N 0 0 379.441 4.329 40 0 GIABRN COc1cccc(-c2nc(-c3noc4ccc(C(=O)NC(C)C)cc43)co2)c1 ZINC000096154342 208278514 /nfs/dbraw/zinc/27/85/14/208278514.db2.gz HNKAUWCVEAEALI-UHFFFAOYSA-N 0 0 377.400 4.297 40 0 GIABRN Cc1nc(-c2nc(-c3cc(C(=O)NC4CC4)c4ccccn34)cs2)cs1 ZINC000096154861 208278848 /nfs/dbraw/zinc/27/88/48/208278848.db2.gz QSOGEXLOCHSEKU-UHFFFAOYSA-N 0 0 380.498 4.387 40 0 GIABRN CC(C)n1cnc2c1[C@@H](C(=O)Nc1cccc(F)c1)N(Cc1ccccc1)CC2 ZINC000096037487 208255427 /nfs/dbraw/zinc/25/54/27/208255427.db2.gz JCNCCLPTPMYINE-QFIPXVFZSA-N 0 0 392.478 4.341 40 0 GIABRN CCCCN(C)C(=O)c1cc(-c2cn(-c3nccs3)c(C)n2)n2ccccc12 ZINC000096037939 208255589 /nfs/dbraw/zinc/25/55/89/208255589.db2.gz YZZRUUFLZHIDTI-UHFFFAOYSA-N 0 0 393.516 4.429 40 0 GIABRN O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@]2(C[C@@H](Oc3ccccc3)CO2)C1 ZINC000096073636 208258405 /nfs/dbraw/zinc/25/84/05/208258405.db2.gz WVPNSFMSDLDCEX-NFBKMPQASA-N 0 0 376.456 4.011 40 0 GIABRN O=C(Nc1ccccc1)N1C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000096080588 208260557 /nfs/dbraw/zinc/26/05/57/208260557.db2.gz OLHPGDQMWKWTJM-CRAIPNDOSA-N 0 0 375.394 4.054 40 0 GIABRN O=C(Cc1ccc(Cl)cc1)N1CCC2(CN(Cc3ccccc3Cl)C2)C1 ZINC000096202439 208285983 /nfs/dbraw/zinc/28/59/83/208285983.db2.gz BFLLRVHQVGFYEO-UHFFFAOYSA-N 0 0 389.326 4.270 40 0 GIABRN CCc1ccc(NC(=O)N2CC[C@@]3(C[C@@H]3C(=O)Nc3cccc(F)c3)C2)cc1 ZINC000096227283 208289004 /nfs/dbraw/zinc/28/90/04/208289004.db2.gz PHKHEVZUJWLCIN-DENIHFKCSA-N 0 0 381.451 4.271 40 0 GIABRN CCSc1ccccc1C(=O)N(C)Cc1nc(-c2cccc(OC)c2)no1 ZINC000096257923 208296257 /nfs/dbraw/zinc/29/62/57/208296257.db2.gz CVQWQBLPXHWIEK-UHFFFAOYSA-N 0 0 383.473 4.129 40 0 GIABRN Cc1ccc(NC(=O)c2cc(-c3cnc(NCc4ccccc4)nc3)cn2C)cn1 ZINC000096266348 208299127 /nfs/dbraw/zinc/29/91/27/208299127.db2.gz QMOVWCVMMZVUCC-UHFFFAOYSA-N 0 0 398.470 4.050 40 0 GIABRN COC(=O)c1ccccc1NC=Cc1nnnn1-c1ccc(-c2ccccc2)cc1 ZINC000100661673 208378851 /nfs/dbraw/zinc/37/88/51/208378851.db2.gz FPJHSHRGFKCDBJ-NXVVXOECSA-N 0 0 397.438 4.199 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)C3CCCC3)CC2)on1 ZINC000100743629 208379244 /nfs/dbraw/zinc/37/92/44/208379244.db2.gz IJBBJZLAEUITJM-CALCHBBNSA-N 0 0 382.508 4.329 40 0 GIABRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)N(c4ccccc4)O[C@@H]3C2=O)c(C)c1 ZINC000101027541 208385441 /nfs/dbraw/zinc/38/54/41/208385441.db2.gz XHLBOAOLNLRFDC-VJBWXMMDSA-N 0 0 398.462 4.355 40 0 GIABRN COc1ccccc1-c1cnc2n1C[C@]1(CCN(C(=O)c3ccc(C)s3)C1)C2 ZINC000306139143 209105617 /nfs/dbraw/zinc/10/56/17/209105617.db2.gz SQLCQGUSMIEKFI-JOCHJYFZSA-N 0 0 393.512 4.017 40 0 GIABRN COc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4cccc(C)c4)C3)n2)c1 ZINC000001360493 208495616 /nfs/dbraw/zinc/49/56/16/208495616.db2.gz RTMPVMDEWQIBAP-GOSISDBHSA-N 0 0 377.444 4.073 40 0 GIABRN COc1ccc(-c2noc([C@H]3CCCN(C(=O)Nc4ccc(C)cc4)C3)n2)cc1 ZINC000001362837 208496373 /nfs/dbraw/zinc/49/63/73/208496373.db2.gz PQYJJMDYBOVBBP-KRWDZBQOSA-N 0 0 392.459 4.465 40 0 GIABRN Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)N3CCCC[C@H]3C)n12 ZINC000000902994 208485542 /nfs/dbraw/zinc/48/55/42/208485542.db2.gz BUZIJMPISLAXFT-MRXNPFEDSA-N 0 0 382.533 4.301 40 0 GIABRN COc1ccc2c(cc(C)c3nnc(SCC(=O)c4ccc(F)cc4)n32)c1 ZINC000000928497 208486966 /nfs/dbraw/zinc/48/69/66/208486966.db2.gz SUFDXFQXEIXMFE-UHFFFAOYSA-N 0 0 381.432 4.314 40 0 GIABRN O=C(NCc1ccccc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000000918485 208486992 /nfs/dbraw/zinc/48/69/92/208486992.db2.gz RDUJPXFLUNCDIC-CJNGLKHVSA-N 0 0 390.365 4.066 40 0 GIABRN COc1ccc2c(cc(C)c3nnc(SCC(=O)Nc4ccccc4F)n32)c1 ZINC000000928499 208487257 /nfs/dbraw/zinc/48/72/57/208487257.db2.gz FXHMDLUSACSNGO-UHFFFAOYSA-N 0 0 396.447 4.069 40 0 GIABRN O=C(c1ccco1)N1CCC[C@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 ZINC000306137616 209104454 /nfs/dbraw/zinc/10/44/54/209104454.db2.gz RBKCLQGPQAWCLA-KRWDZBQOSA-N 0 0 390.418 4.148 40 0 GIABRN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(C)cc3)n2C)cc1 ZINC000004130438 208536576 /nfs/dbraw/zinc/53/65/76/208536576.db2.gz ZDOCUQGLFOVTRQ-OAHLLOKOSA-N 0 0 394.500 4.112 40 0 GIABRN COc1ccc(N=S2CC(C)=C(C)CN2S(=O)(=O)c2ccccc2)cc1 ZINC000004425844 208545457 /nfs/dbraw/zinc/54/54/57/208545457.db2.gz UVIWIGQGNJBGOL-UHFFFAOYSA-N 0 0 390.530 4.085 40 0 GIABRN COc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCC(C)CC2)cc1OC ZINC000004847693 208546008 /nfs/dbraw/zinc/54/60/08/208546008.db2.gz ZLDIGDJIYQDJDF-NRFANRHFSA-N 0 0 399.539 4.017 40 0 GIABRN Cc1cccc(NC(=S)N2CCC(NC(=O)c3cccc(F)c3)CC2)c1C ZINC000004857711 208546586 /nfs/dbraw/zinc/54/65/86/208546586.db2.gz HDWHHWCBAQWMFX-UHFFFAOYSA-N 0 0 385.508 4.034 40 0 GIABRN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)n1C ZINC000004860740 208546628 /nfs/dbraw/zinc/54/66/28/208546628.db2.gz JIOYEYGILJFTMF-UHFFFAOYSA-N 0 0 396.394 4.133 40 0 GIABRN COCCN(C(=O)/C=C/c1ccccc1)c1nnc(-c2ccc(C)cc2)s1 ZINC000004880558 208546659 /nfs/dbraw/zinc/54/66/59/208546659.db2.gz QXJUIXAXELCRPY-JLHYYAGUSA-N 0 0 379.485 4.206 40 0 GIABRN O=C(c1ccoc1)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC3CC3)c12 ZINC000306135659 209103913 /nfs/dbraw/zinc/10/39/13/209103913.db2.gz OXBDPTSRIVYRKV-UHFFFAOYSA-N 0 0 389.455 4.077 40 0 GIABRN c1csc(-c2ccc3nc([C@H]4CCCN(Cc5nccs5)C4)nn3c2)c1 ZINC000306136318 209103658 /nfs/dbraw/zinc/10/36/58/209103658.db2.gz PPZJFNMDOLHPJJ-HNNXBMFYSA-N 0 0 381.530 4.294 40 0 GIABRN CCOc1ccc(C2=NNC(c3ccncc3)=Nc3ccccc32)cc1OCC ZINC000006601891 208681153 /nfs/dbraw/zinc/68/11/53/208681153.db2.gz MIUWCYHRWJQPIV-UHFFFAOYSA-N 0 0 386.455 4.313 40 0 GIABRN O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccc2c(c1)OCCO2 ZINC000006677903 208681950 /nfs/dbraw/zinc/68/19/50/208681950.db2.gz CCNLEYZKKDLGMB-UHFFFAOYSA-N 0 0 399.402 4.484 40 0 GIABRN CN(C)c1cccc(C(=O)N2C[C@@H]3COc4ccccc4[C@@H]3N2c2ccccc2)c1 ZINC000006674762 208682643 /nfs/dbraw/zinc/68/26/43/208682643.db2.gz ZUCZTYCVSYFEFE-NTKDMRAZSA-N 0 0 399.494 4.380 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@H]3c2cccc(O)c2)cc1 ZINC000006679332 208683119 /nfs/dbraw/zinc/68/31/19/208683119.db2.gz RQUICTHKSDNAPA-YJYMSZOUSA-N 0 0 395.484 4.058 40 0 GIABRN COc1ccc(C2=Nc3ccc(OC)cc3C(c3ccc(OC)cc3)=NN2)cc1 ZINC000006973437 208686553 /nfs/dbraw/zinc/68/65/53/208686553.db2.gz IJZRDKWGZOFUCD-UHFFFAOYSA-N 0 0 387.439 4.146 40 0 GIABRN O=C(Cc1ccsc1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1Cl ZINC000013992436 208787673 /nfs/dbraw/zinc/78/76/73/208787673.db2.gz OYNCMWAPPIFRFS-GOSISDBHSA-N 0 0 385.920 4.383 40 0 GIABRN Cc1nn2c(nnc3c2C[C@H](c2ccco2)CC3=O)c1-c1ccc(Cl)cc1 ZINC000014607710 208789842 /nfs/dbraw/zinc/78/98/42/208789842.db2.gz PAAMKHGPWCKNKP-ZDUSSCGKSA-N 0 0 378.819 4.259 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)ccc2C)cc1Br ZINC000013670065 208784283 /nfs/dbraw/zinc/78/42/83/208784283.db2.gz OTNMEOCYSNVDBB-ZDUSSCGKSA-N 0 0 398.322 4.114 40 0 GIABRN Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c(Cl)c1 ZINC000191581989 208805564 /nfs/dbraw/zinc/80/55/64/208805564.db2.gz CMYQMNVMNVKBJT-UHFFFAOYSA-N 0 0 379.847 4.226 40 0 GIABRN Cc1c(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cnn1C ZINC000118916046 208814059 /nfs/dbraw/zinc/81/40/59/208814059.db2.gz FDNKFHFLLFZZSM-FBVYJEDASA-N 0 0 398.591 4.486 40 0 GIABRN COc1ccc([C@H](C)NC(=O)CSCc2ccccc2Cl)cc1OC ZINC000216336625 208821871 /nfs/dbraw/zinc/82/18/71/208821871.db2.gz ZDUQLKBZTGDQCU-ZDUSSCGKSA-N 0 0 379.909 4.468 40 0 GIABRN Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000219076060 208843002 /nfs/dbraw/zinc/84/30/02/208843002.db2.gz PXPFBJKVPFGRLV-AWEZNQCLSA-N 0 0 385.851 4.091 40 0 GIABRN CCc1ccccc1O[C@H](C)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219295561 208844513 /nfs/dbraw/zinc/84/45/13/208844513.db2.gz LJPSMDJLBNXBQZ-BEFAXECRSA-N 0 0 383.488 4.444 40 0 GIABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(-c2cccs2)no1 ZINC000219353429 208845715 /nfs/dbraw/zinc/84/57/15/208845715.db2.gz KMIJTHZKRTUSBM-QGZVFWFLSA-N 0 0 393.468 4.425 40 0 GIABRN Cc1ccccc1CSCCNC(=O)COc1ccc(Br)cc1 ZINC000218814381 208839886 /nfs/dbraw/zinc/83/98/86/208839886.db2.gz AJILUMQUEBBBNW-UHFFFAOYSA-N 0 0 394.334 4.186 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccccc3Cl)n2)cc1 ZINC000219062921 208841961 /nfs/dbraw/zinc/84/19/61/208841961.db2.gz XTEFBEFWIQKOPZ-AWEZNQCLSA-N 0 0 385.851 4.124 40 0 GIABRN CC[C@H](Oc1ccccc1OC)C(=O)NCCSCc1ccccc1F ZINC000219558706 208848538 /nfs/dbraw/zinc/84/85/38/208848538.db2.gz PJFVPICTTCHSSZ-KRWDZBQOSA-N 0 0 377.481 4.041 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)COc1ccc(OC)cc1 ZINC000219604709 208850507 /nfs/dbraw/zinc/85/05/07/208850507.db2.gz JXZGDJSMRZCGEU-AUUYWEPGSA-N 0 0 377.868 4.090 40 0 GIABRN O=C(c1ccoc1)N1CCC[C@H](c2nc3ccc(-c4cccs4)cn3n2)C1 ZINC000306130491 209098846 /nfs/dbraw/zinc/09/88/46/209098846.db2.gz JIBJQZXFXUPCOZ-HNNXBMFYSA-N 0 0 378.457 4.071 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C ZINC000222449228 208874827 /nfs/dbraw/zinc/87/48/27/208874827.db2.gz LTLKUZDDKHUULB-HSZRJFAPSA-N 0 0 394.559 4.486 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C ZINC000222412508 208875113 /nfs/dbraw/zinc/87/51/13/208875113.db2.gz GZZVNNLEEKJRMQ-OAQYLSRUSA-N 0 0 396.531 4.014 40 0 GIABRN CN(c1ccc(Cl)c(C(=O)Nc2cccc3ccccc32)c1)S(C)(=O)=O ZINC000222489137 208876035 /nfs/dbraw/zinc/87/60/35/208876035.db2.gz LFZZEGJYDYGCMD-UHFFFAOYSA-N 0 0 388.876 4.141 40 0 GIABRN CCCCc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 ZINC000222516118 208876533 /nfs/dbraw/zinc/87/65/33/208876533.db2.gz SFFBFZTXYCLIKE-UHFFFAOYSA-N 0 0 394.924 4.331 40 0 GIABRN COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 ZINC000222850017 208885713 /nfs/dbraw/zinc/88/57/13/208885713.db2.gz GIFWCCMLJPAWTM-LSDHHAIUSA-N 0 0 377.868 4.008 40 0 GIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Br)s1 ZINC000222859313 208886030 /nfs/dbraw/zinc/88/60/30/208886030.db2.gz KKQYJAAQSKFJKI-UONOGXRCSA-N 0 0 382.352 4.288 40 0 GIABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000222974413 208888017 /nfs/dbraw/zinc/88/80/17/208888017.db2.gz DAQDIJRFGIBBIX-LJQANCHMSA-N 0 0 393.487 4.478 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1F ZINC000223044225 208891362 /nfs/dbraw/zinc/89/13/62/208891362.db2.gz JIAMBCLXMKYFNO-SFHVURJKSA-N 0 0 384.495 4.010 40 0 GIABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 ZINC000223062871 208891732 /nfs/dbraw/zinc/89/17/32/208891732.db2.gz ICLNQRQKWCUBHP-NHCUHLMSSA-N 0 0 398.576 4.397 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C ZINC000223186837 208894068 /nfs/dbraw/zinc/89/40/68/208894068.db2.gz ACKAPQXSCQDKPC-HXUWFJFHSA-N 0 0 386.923 4.053 40 0 GIABRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)c(C)c1 ZINC000222799716 208883868 /nfs/dbraw/zinc/88/38/68/208883868.db2.gz CMVNWZUOGGLYCH-NHCUHLMSSA-N 0 0 376.529 4.482 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C ZINC000223591136 208905832 /nfs/dbraw/zinc/90/58/32/208905832.db2.gz JFRRKBFBKZKKQW-IBGZPJMESA-N 0 0 396.531 4.051 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)s2)cc1 ZINC000223327511 208899599 /nfs/dbraw/zinc/89/95/99/208899599.db2.gz DPMWQFWEGFXISB-CQSZACIVSA-N 0 0 383.473 4.237 40 0 GIABRN CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCCC(C)C)c1ccccc1 ZINC000223548251 208904342 /nfs/dbraw/zinc/90/43/42/208904342.db2.gz OQSJBZFYAXGHLD-QHCPKHFHSA-N 0 0 396.531 4.337 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1 ZINC000224252338 208922691 /nfs/dbraw/zinc/92/26/91/208922691.db2.gz NHTVXPFUXBPLHX-UHFFFAOYSA-N 0 0 380.469 4.072 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000224313568 208923026 /nfs/dbraw/zinc/92/30/26/208923026.db2.gz UPENVSKCWKIRJR-FQEVSTJZSA-N 0 0 386.923 4.216 40 0 GIABRN COC(=O)c1ccc(CS(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 ZINC000224343893 208924375 /nfs/dbraw/zinc/92/43/75/208924375.db2.gz AXKKAFBUCZNMFK-UHFFFAOYSA-N 0 0 395.436 4.315 40 0 GIABRN Cc1ccc(NC(=S)NCC2(c3ccc(Cl)cc3)CCOCC2)nc1 ZINC000224015756 208915690 /nfs/dbraw/zinc/91/56/90/208915690.db2.gz XAQOROGRUIJZNY-UHFFFAOYSA-N 0 0 375.925 4.078 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)cc1C ZINC000224131917 208919559 /nfs/dbraw/zinc/91/95/59/208919559.db2.gz XYAIWHULBYFTTR-NRFANRHFSA-N 0 0 394.559 4.344 40 0 GIABRN CCOc1ccc(C(=O)N2CCN(C)CC2)cc1COc1ccccc1C(C)C ZINC000224569226 208928115 /nfs/dbraw/zinc/92/81/15/208928115.db2.gz LUIDEGHWENYZID-UHFFFAOYSA-N 0 0 396.531 4.175 40 0 GIABRN CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1OC ZINC000224585342 208929624 /nfs/dbraw/zinc/92/96/24/208929624.db2.gz CFIVPAPXNXJMSC-VQTJNVASSA-N 0 0 378.501 4.089 40 0 GIABRN CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CSc1ccc(C)cc1 ZINC000224594932 208929926 /nfs/dbraw/zinc/92/99/26/208929926.db2.gz WUEUGZSIAUIFSM-OAQYLSRUSA-N 0 0 398.572 4.073 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C ZINC000225123657 208942182 /nfs/dbraw/zinc/94/21/82/208942182.db2.gz HSMJHVSRCREWRC-RTWAWAEBSA-N 0 0 394.559 4.486 40 0 GIABRN CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1 ZINC000224604051 208929973 /nfs/dbraw/zinc/92/99/73/208929973.db2.gz ICFLKRZUHFZNLS-HSZRJFAPSA-N 0 0 392.543 4.138 40 0 GIABRN CCOc1ccccc1N(C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224616329 208930052 /nfs/dbraw/zinc/93/00/52/208930052.db2.gz MONPPTMFOJAIHI-UHFFFAOYSA-N 0 0 390.288 4.226 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000224997474 208938625 /nfs/dbraw/zinc/93/86/25/208938625.db2.gz PCFUAFZWNLMIKH-UXHICEINSA-N 0 0 380.532 4.178 40 0 GIABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C ZINC000225042668 208939982 /nfs/dbraw/zinc/93/99/82/208939982.db2.gz QEMXLZSDGSEZGH-CYBMUJFWSA-N 0 0 384.501 4.304 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1 ZINC000225049214 208940072 /nfs/dbraw/zinc/94/00/72/208940072.db2.gz NQVHHSYLCLGEEL-WOJBJXKFSA-N 0 0 396.531 4.014 40 0 GIABRN CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225531426 208957832 /nfs/dbraw/zinc/95/78/32/208957832.db2.gz UABRYOJCHBUUQX-FQEVSTJZSA-N 0 0 394.559 4.432 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225154141 208942621 /nfs/dbraw/zinc/94/26/21/208942621.db2.gz XEPTVNGLRBSEKL-QHCPKHFHSA-N 0 0 394.559 4.488 40 0 GIABRN CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)c1ccc(C)cc1C ZINC000225248055 208946098 /nfs/dbraw/zinc/94/60/98/208946098.db2.gz PLBPNQGJPOBESE-SFHVURJKSA-N 0 0 395.908 4.173 40 0 GIABRN COc1ccc(OC[C@H](C)NC(=S)Nc2ccc(OC)c3ncccc23)cc1 ZINC000225269343 208947602 /nfs/dbraw/zinc/94/76/02/208947602.db2.gz QNTNXRIQYUWDMR-AWEZNQCLSA-N 0 0 397.500 4.006 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1)C(=O)Cc1ccccc1F ZINC000225492590 208954597 /nfs/dbraw/zinc/95/45/97/208954597.db2.gz MQKCOHDVDBAQLW-LAUBAEHRSA-N 0 0 384.495 4.090 40 0 GIABRN COc1cc(C)c(C(=O)NCc2ccccc2CN2CCCC2=O)cc1C(C)C ZINC000225666972 208966024 /nfs/dbraw/zinc/96/60/24/208966024.db2.gz KMOAOXUUEXUSOL-UHFFFAOYSA-N 0 0 394.515 4.179 40 0 GIABRN Cc1ccc(CN(C(=O)CCCOc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225528153 208958408 /nfs/dbraw/zinc/95/84/08/208958408.db2.gz VPXSWBBQXKWEEH-HXUWFJFHSA-N 0 0 396.531 4.096 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)NCCCc2ccc(Cl)cc2)c1 ZINC000225544681 208958946 /nfs/dbraw/zinc/95/89/46/208958946.db2.gz CIKVTBCSQPUEHR-UHFFFAOYSA-N 0 0 376.909 4.436 40 0 GIABRN COc1cccc(CCCNC(=S)Nc2ccc(OC)c3ncccc23)c1 ZINC000225555361 208959235 /nfs/dbraw/zinc/95/92/35/208959235.db2.gz YVYHFYONIZENHP-UHFFFAOYSA-N 0 0 381.501 4.171 40 0 GIABRN NC(=O)COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1 ZINC000225553286 208960183 /nfs/dbraw/zinc/96/01/83/208960183.db2.gz GQNNZAGTVFWVHU-UHFFFAOYSA-N 0 0 386.879 4.045 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@](C)(CC(C)C)OC)ccc1O[C@@H](C)CC ZINC000225793034 208976358 /nfs/dbraw/zinc/97/63/58/208976358.db2.gz YTBYVQWWIMDVOW-BTYIYWSLSA-N 0 0 379.497 4.430 40 0 GIABRN CC(C)NC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC[C@@H]2C)n1 ZINC000225889048 208981538 /nfs/dbraw/zinc/98/15/38/208981538.db2.gz MDQJSGWEGRVRHV-HNNXBMFYSA-N 0 0 385.537 4.343 40 0 GIABRN C[C@@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)NCc3ccccc3)n2)C1 ZINC000225929679 208984316 /nfs/dbraw/zinc/98/43/16/208984316.db2.gz UGTSGQKMVUZKLA-ZIAGYGMSSA-N 0 0 389.956 4.099 40 0 GIABRN Fc1cccc(-c2ccc3nc([C@@H]4CCCN(Cc5nccs5)C4)nn3c2)c1 ZINC000306125645 209097748 /nfs/dbraw/zinc/09/77/48/209097748.db2.gz CWUKYZAUDKZRIX-QGZVFWFLSA-N 0 0 393.491 4.372 40 0 GIABRN COc1ccc(NC(=O)/C=C/c2cc(Br)ccc2OC)c(OC)c1 ZINC000006288919 220927091 /nfs/dbraw/zinc/92/70/91/220927091.db2.gz XUJJNVVVVCREHE-RUDMXATFSA-N 0 0 392.249 4.127 40 0 GIABRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(Cl)cc4)c3)nn12 ZINC000006478263 220936653 /nfs/dbraw/zinc/93/66/53/220936653.db2.gz LSLPCZPWECOTEN-UHFFFAOYSA-N 0 0 383.864 4.375 40 0 GIABRN COCCC(=O)N[C@]1(C)C[C@H](c2cc(F)c(F)cc2F)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257207507 209055536 /nfs/dbraw/zinc/05/55/36/209055536.db2.gz BIBPGWMKBICRAV-QRWGEDBWSA-N 0 0 399.453 4.282 40 0 GIABRN Cc1cnc(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)cn1 ZINC000257202121 209056168 /nfs/dbraw/zinc/05/61/68/209056168.db2.gz AKONKGRZEWKLMN-INIZCTEOSA-N 0 0 396.878 4.037 40 0 GIABRN Cc1nccc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)n1 ZINC000257215410 209056869 /nfs/dbraw/zinc/05/68/69/209056869.db2.gz CPZJQCLYIIXMHF-IBGZPJMESA-N 0 0 396.878 4.385 40 0 GIABRN O=C([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](Cc3ncccn3)C2)cc1 ZINC000257221768 209057783 /nfs/dbraw/zinc/05/77/83/209057783.db2.gz DQKZWLBNWBMEOT-IBGZPJMESA-N 0 0 387.483 4.297 40 0 GIABRN O=C(CC1CCCC1)N1CCO[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257220624 209057945 /nfs/dbraw/zinc/05/79/45/209057945.db2.gz DLMPBCXPHFSTEZ-LJQANCHMSA-N 0 0 388.895 4.399 40 0 GIABRN CC(C)c1ccc(O)c(C(=O)N(C)[C@@H]2CCCC[C@@H](Oc3ccccc3)[C@@H]2O)c1 ZINC000257246417 209059511 /nfs/dbraw/zinc/05/95/11/209059511.db2.gz IUAPMJIKYLEQGI-YMPZKCBVSA-N 0 0 397.515 4.339 40 0 GIABRN Cc1cc(Nc2cccc(CC3CCN(C(=O)c4ccccc4F)CC3)n2)n[nH]1 ZINC000257271149 209064323 /nfs/dbraw/zinc/06/43/23/209064323.db2.gz MXBMXCPNPGPQDF-UHFFFAOYSA-N 0 0 393.466 4.091 40 0 GIABRN O=C(C1CCCCC1)N1CCO[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257258297 209062045 /nfs/dbraw/zinc/06/20/45/209062045.db2.gz KTGAEPISUMYFIE-IBGZPJMESA-N 0 0 388.895 4.399 40 0 GIABRN COc1ncccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257259693 209062172 /nfs/dbraw/zinc/06/21/72/209062172.db2.gz KZNMZXFQTRQMQN-LJQANCHMSA-N 0 0 395.434 4.176 40 0 GIABRN O=c1[nH]n(-c2ccc(Br)cc2)c(=O)c2ccc(-c3ccccc3)cc12 ZINC000016493239 221365347 /nfs/dbraw/zinc/36/53/47/221365347.db2.gz NREUGYZYTDRXNJ-UHFFFAOYSA-N 0 0 393.240 4.109 40 0 GIABRN O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)cc1 ZINC000257264689 209064970 /nfs/dbraw/zinc/06/49/70/209064970.db2.gz LVQHBNGQUAWOTL-LJQANCHMSA-N 0 0 394.446 4.482 40 0 GIABRN O=C(N1CCC[C@@H]1CCc1ccncc1)C1(Cc2ccccc2F)CCOCC1 ZINC000257290831 209067972 /nfs/dbraw/zinc/06/79/72/209067972.db2.gz QEMQRPJOSFGOCF-OAQYLSRUSA-N 0 0 396.506 4.184 40 0 GIABRN O=C(COc1cccnc1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257290283 209068287 /nfs/dbraw/zinc/06/82/87/209068287.db2.gz QCGWQHUPKFLASB-LJQANCHMSA-N 0 0 397.862 4.056 40 0 GIABRN Cc1cc(=O)cc([C@H]2CCC[N@@H+]2Cc2ccc(-c3ccccc3C(=O)[O-])o2)[nH]1 ZINC000257287198 209069349 /nfs/dbraw/zinc/06/93/49/209069349.db2.gz POXLSWPTKVSTOJ-HXUWFJFHSA-N 0 0 378.428 4.391 40 0 GIABRN O=C(c1ccccc1)N1CCO[C@H](c2cccc(Cc3c(F)cccc3F)n2)C1 ZINC000257284335 209069433 /nfs/dbraw/zinc/06/94/33/209069433.db2.gz PCGMUEMPXMGTFP-QFIPXVFZSA-N 0 0 394.421 4.164 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccccc3F)o2)s1 ZINC000257293402 209069568 /nfs/dbraw/zinc/06/95/68/209069568.db2.gz QPIHSAVDKMOBCD-QGZVFWFLSA-N 0 0 385.464 4.455 40 0 GIABRN COc1ccc(/C=C2\SC(Nc3cc(Cl)ccc3OC)NC2=O)cc1C ZINC000408812882 533241455 /nfs/dbraw/zinc/24/14/55/533241455.db2.gz PUUBBGRIXSRPLD-UHFFFAOYSA-N 0 0 389.884 4.429 40 0 GIABRN COCCCNC(=O)c1ccccc1NC(=O)c1ccccc1SC(C)C ZINC000408678280 533290167 /nfs/dbraw/zinc/29/01/67/533290167.db2.gz IEKZHDLHOKILNF-UHFFFAOYSA-N 0 0 386.517 4.206 40 0 GIABRN COc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3OC)c(C)s2)cc1 ZINC000408821082 533349510 /nfs/dbraw/zinc/34/95/10/533349510.db2.gz CDUQGKSCDJULGB-UHFFFAOYSA-N 0 0 384.457 4.397 40 0 GIABRN COc1c(C)cccc1C(=O)NC(=S)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000408619677 533406270 /nfs/dbraw/zinc/40/62/70/533406270.db2.gz GYGIVLFREOPBHJ-HIGJEIRPSA-N 0 0 386.561 4.213 40 0 GIABRN COc1c(Cl)cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1Cl ZINC000102082154 533422040 /nfs/dbraw/zinc/42/20/40/533422040.db2.gz HJQHINAKZBXIRE-UHFFFAOYSA-N 0 0 395.286 4.087 40 0 GIABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccccc2Cl)c(F)c1F ZINC000408628404 533427723 /nfs/dbraw/zinc/42/77/23/533427723.db2.gz SOSFXFNEWAEFBC-UHFFFAOYSA-N 0 0 392.761 4.032 40 0 GIABRN COc1ccc(CNC(=O)c2ccccc2NC(=O)c2c(F)cccc2F)cc1 ZINC000408615103 533651148 /nfs/dbraw/zinc/65/11/48/533651148.db2.gz LULBGEBKOQOHII-UHFFFAOYSA-N 0 0 396.393 4.156 40 0 GIABRN O=C(c1cccnn1)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257307601 209073003 /nfs/dbraw/zinc/07/30/03/209073003.db2.gz SZKPQFRIMHTSKH-SFHVURJKSA-N 0 0 382.851 4.076 40 0 GIABRN COc1cccc(C(=O)N2CC[C@H]3O[C@H]4c5ccccc5OC(C)(C)[C@@H]4C[C@H]32)c1 ZINC000257306527 209073067 /nfs/dbraw/zinc/07/30/67/209073067.db2.gz SUPAVQVUCWQFNR-CZAYHTPWSA-N 0 0 393.483 4.227 40 0 GIABRN Cc1cc(O[C@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1Cl ZINC000059317893 136155732 /nfs/dbraw/zinc/15/57/32/136155732.db2.gz GQMHGAQQBVLXJO-OAHLLOKOSA-N 0 0 393.314 4.418 40 0 GIABRN O=C1[C@@H](C2CCN(c3cccnc3)CC2)CC=CCN1Cc1ccc(F)cc1 ZINC000072380031 136169204 /nfs/dbraw/zinc/16/92/04/136169204.db2.gz KXXIWPJTMKIDGQ-JOCHJYFZSA-N 0 0 379.479 4.042 40 0 GIABRN C[C@]12C[C@H](NC(=O)N1c1cc(F)ccc1F)c1cc(Br)ccc1O2 ZINC000004852796 136194097 /nfs/dbraw/zinc/19/40/97/136194097.db2.gz FCDQLECNOSUTSA-GUYCJALGSA-N 0 0 395.203 4.497 40 0 GIABRN Cc1ccc(C)c(CN2c3cc(C(=O)NC(C)C)ccc3OC(C)(C)C2=O)c1 ZINC000004965828 136194363 /nfs/dbraw/zinc/19/43/63/136194363.db2.gz MPSPSDLTEKTGIQ-UHFFFAOYSA-N 0 0 380.488 4.146 40 0 GIABRN Cc1ccc(N2CCC(C(=O)Nc3ccccc3C(=O)N3CCCC3)CC2)cc1 ZINC000219854978 136204391 /nfs/dbraw/zinc/20/43/91/136204391.db2.gz FRSSTRIEMFHRMG-UHFFFAOYSA-N 0 0 391.515 4.086 40 0 GIABRN Cc1cc(O[C@@H](C)C(=O)NCCCN2CCCc3ccccc32)ccc1Cl ZINC000222858912 136205112 /nfs/dbraw/zinc/20/51/12/136205112.db2.gz WRHKXLHRBRRNSL-KRWDZBQOSA-N 0 0 386.923 4.375 40 0 GIABRN COc1ccc(CNC(=S)Nc2ccc(N3C[C@H](C)C[C@H](C)C3)nc2)cc1 ZINC000223926869 136206027 /nfs/dbraw/zinc/20/60/27/136206027.db2.gz KEIAPTMPMPXHAE-IYBDPMFKSA-N 0 0 384.549 4.059 40 0 GIABRN CCC1(CC)C[C@H](NC(=O)c2ccc(N3CCOCC3)cc2)c2ccccc2O1 ZINC000224079802 136206213 /nfs/dbraw/zinc/20/62/13/136206213.db2.gz WYHNOKIUHPZKOA-NRFANRHFSA-N 0 0 394.515 4.336 40 0 GIABRN Cc1ccc(Cl)cc1N1CCN(C(=O)COc2cccc3c2CCCC3)CC1 ZINC000224659332 136207124 /nfs/dbraw/zinc/20/71/24/136207124.db2.gz PLPKOSWUPPPKMJ-UHFFFAOYSA-N 0 0 398.934 4.255 40 0 GIABRN CC(C)n1nccc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257305071 209073433 /nfs/dbraw/zinc/07/34/33/209073433.db2.gz SOHVVZBFSLZYTA-QGZVFWFLSA-N 0 0 396.466 4.202 40 0 GIABRN Cc1nc(Nc2cc(C)nc([C@@H]3CCCN(Cc4ncc[nH]4)C3)c2)sc1C ZINC000257305394 209073512 /nfs/dbraw/zinc/07/35/12/209073512.db2.gz SPUXCKMOWUJMCQ-MRXNPFEDSA-N 0 0 382.537 4.310 40 0 GIABRN COc1ccccc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257317239 209074101 /nfs/dbraw/zinc/07/41/01/209074101.db2.gz VIXRGSJILNTQGE-GOSISDBHSA-N 0 0 376.456 4.294 40 0 GIABRN COc1cccc([C@H]2C[C@@H](NC(C)=O)CC3(CCCCC3)O2)c1OC(F)F ZINC000257315067 209074313 /nfs/dbraw/zinc/07/43/13/209074313.db2.gz UZTRBBHDGUNKRQ-RHSMWYFYSA-N 0 0 383.435 4.356 40 0 GIABRN Cc1noc(C)c1-c1nccc([C@H]2CCCN2C(=O)CCc2ccccc2)n1 ZINC000257318740 209075207 /nfs/dbraw/zinc/07/52/07/209075207.db2.gz VPEKCYHBOQYEJB-LJQANCHMSA-N 0 0 376.460 4.045 40 0 GIABRN Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3cnccn3)C2)n1 ZINC000257324714 209076465 /nfs/dbraw/zinc/07/64/65/209076465.db2.gz WPUUPHSONCJRMR-QGZVFWFLSA-N 0 0 376.435 4.006 40 0 GIABRN CCN(Cc1ccncc1)C(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1ccccc1Cl ZINC000257327600 209076914 /nfs/dbraw/zinc/07/69/14/209076914.db2.gz XCAFZPUSDRMJJM-NQIIRXRSSA-N 0 0 399.922 4.083 40 0 GIABRN CC(C)(C)c1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)[nH]n1 ZINC000257331168 209077049 /nfs/dbraw/zinc/07/70/49/209077049.db2.gz XRRNUHGCLWVHNW-SFHVURJKSA-N 0 0 396.466 4.402 40 0 GIABRN Fc1ccc(-c2cnc3nccc([C@H]4CCCN4Cc4cncs4)n23)cc1 ZINC000257334965 209078595 /nfs/dbraw/zinc/07/85/95/209078595.db2.gz YIAROEYGKBNDGC-QGZVFWFLSA-N 0 0 379.464 4.329 40 0 GIABRN COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cncs2)o1 ZINC000257338405 209078709 /nfs/dbraw/zinc/07/87/09/209078709.db2.gz YXGPOUNTPFDMML-INIZCTEOSA-N 0 0 383.473 4.098 40 0 GIABRN Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)CC(C)(C)C)c1C ZINC000072341500 222231900 /nfs/dbraw/zinc/23/19/00/222231900.db2.gz GFPPJFCTIIUHCJ-KRWDZBQOSA-N 0 0 399.539 4.304 40 0 GIABRN CNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)C2CCC2)CC1 ZINC000072345056 222232935 /nfs/dbraw/zinc/23/29/35/222232935.db2.gz HKEXXPIQNYQJED-UHFFFAOYSA-N 0 0 396.556 4.113 40 0 GIABRN COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)Cc3cccnc3)C2)n1 ZINC000072349377 222236118 /nfs/dbraw/zinc/23/61/18/222236118.db2.gz LQAHXJHMNKNSQV-LJQANCHMSA-N 0 0 387.483 4.101 40 0 GIABRN COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)Cc3ccccn3)C2)n1 ZINC000072349467 222236136 /nfs/dbraw/zinc/23/61/36/222236136.db2.gz GKYJLBJRDDNQLU-SFHVURJKSA-N 0 0 387.483 4.101 40 0 GIABRN Cc1ncsc1C(=O)N1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000072349843 222236788 /nfs/dbraw/zinc/23/67/88/222236788.db2.gz YPBYYXBWHYLFJA-SFHVURJKSA-N 0 0 377.513 4.457 40 0 GIABRN Cc1cccc(Cc2cccc([C@H]3CCCN(C(=O)Cc4cccnc4)C3)n2)c1 ZINC000072349394 222236813 /nfs/dbraw/zinc/23/68/13/222236813.db2.gz ZFCJSWOFIQMRKR-QFIPXVFZSA-N 0 0 385.511 4.325 40 0 GIABRN COc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4coc(C)n4)C3)n2)c1 ZINC000072350450 222238152 /nfs/dbraw/zinc/23/81/52/222238152.db2.gz GTSKXWZUKCSKLU-KRWDZBQOSA-N 0 0 377.444 4.073 40 0 GIABRN CCCC(=O)N1CCC[C@](Cc2cccc(-c3cccc(F)c3)c2)(C(=O)NC)C1 ZINC000072391535 222249601 /nfs/dbraw/zinc/24/96/01/222249601.db2.gz KSGZVTMWGBLNDK-XMMPIXPASA-N 0 0 396.506 4.190 40 0 GIABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1 ZINC000408906431 533684838 /nfs/dbraw/zinc/68/48/38/533684838.db2.gz BKUROQJVSVERBN-UHFFFAOYSA-N 0 0 394.496 4.285 40 0 GIABRN Cc1ccc(C)c(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC(C)=CC[C@@H]3C2=O)c1 ZINC000408680987 533685979 /nfs/dbraw/zinc/68/59/79/533685979.db2.gz ISKMFEZFCGQTTD-PKOBYXMFSA-N 0 0 388.467 4.401 40 0 GIABRN COC(=O)c1c(NC(=O)[C@@H](C)SCc2ccccc2)sc2c1CCC2 ZINC000408564623 533701653 /nfs/dbraw/zinc/70/16/53/533701653.db2.gz YVZGUWSEOLTQRE-GFCCVEGCSA-N 0 0 375.515 4.284 40 0 GIABRN COc1ccc(CSCC(=O)NCCSCc2cccc(C)c2)cc1 ZINC000408925085 533730280 /nfs/dbraw/zinc/73/02/80/533730280.db2.gz JAHSOAURANFLCF-UHFFFAOYSA-N 0 0 375.559 4.286 40 0 GIABRN COc1ccc(Cl)cc1/C=C1\SC(=N)N(c2ccc3c(c2)OCO3)C1=O ZINC000033699472 533833353 /nfs/dbraw/zinc/83/33/53/533833353.db2.gz FVYBXGVALAGRPS-BDVOGXNHSA-N 0 0 388.832 4.133 40 0 GIABRN COc1ccc(Cl)cc1C(=O)/N=c1\sc2c(n1C)-c1ccccc1CC2 ZINC000409198847 533834991 /nfs/dbraw/zinc/83/49/91/533834991.db2.gz LWSLFVSLXJQOHA-XDOYNYLZSA-N 0 0 384.888 4.255 40 0 GIABRN COc1ccc(NC(=O)CSc2nc(C)cc(-c3ccc(OC)cc3)n2)cc1 ZINC000408528800 534085291 /nfs/dbraw/zinc/08/52/91/534085291.db2.gz WNYRHDAZRLUHNJ-UHFFFAOYSA-N 0 0 395.484 4.200 40 0 GIABRN Cc1ccc(Cl)cc1NC(=O)Cn1nc(COc2ccccc2)oc1=S ZINC000409176065 534148757 /nfs/dbraw/zinc/14/87/57/534148757.db2.gz XWDADDFHXRPPIK-UHFFFAOYSA-N 0 0 389.864 4.385 40 0 GIABRN COc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000409383716 534182996 /nfs/dbraw/zinc/18/29/96/534182996.db2.gz CDTXEYHSGFWMST-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN COc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 ZINC000408699939 534184605 /nfs/dbraw/zinc/18/46/05/534184605.db2.gz XNJOCJOUHJNIBB-UHFFFAOYSA-N 0 0 388.402 4.334 40 0 GIABRN Cc1ccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)cc1C ZINC000408669426 534191751 /nfs/dbraw/zinc/19/17/51/534191751.db2.gz GWPJBPSXRNCCBQ-NYSBEXSLSA-N 0 0 388.467 4.257 40 0 GIABRN COc1ccccc1OCc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000409177542 534204577 /nfs/dbraw/zinc/20/45/77/534204577.db2.gz BTQSHOSZTGMELK-UHFFFAOYSA-N 0 0 390.439 4.485 40 0 GIABRN Cc1ccc(-c2nnc(CN(C)C(=O)COc3ccc4ccccc4c3)o2)cc1 ZINC000408713895 534222125 /nfs/dbraw/zinc/22/21/25/534222125.db2.gz CDBRTBVKDZFYQX-UHFFFAOYSA-N 0 0 387.439 4.236 40 0 GIABRN Cc1ccc(-c2nnc(CN(C)C(=O)COc3ccc(C(C)(C)C)cc3)o2)cc1 ZINC000408714209 534222662 /nfs/dbraw/zinc/22/26/62/534222662.db2.gz LHYFUCSMQKRPNC-UHFFFAOYSA-N 0 0 393.487 4.380 40 0 GIABRN S=C(NCCCc1ccccc1)Nc1cccc(I)c1 ZINC000408585380 534458668 /nfs/dbraw/zinc/45/86/68/534458668.db2.gz FWLPGSQYITXINA-UHFFFAOYSA-N 0 0 396.297 4.210 40 0 GIABRN S=c1[nH]nc(-c2ccncc2)n1NCc1ccc(OCc2cccs2)cc1 ZINC000007602114 534461285 /nfs/dbraw/zinc/46/12/85/534461285.db2.gz GVHAYQVAFBUQCO-UHFFFAOYSA-N 0 0 395.513 4.387 40 0 GIABRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccco4)ccc3O)oc2c1 ZINC000408629132 534486848 /nfs/dbraw/zinc/48/68/48/534486848.db2.gz ZVECQHJDCORPIC-UHFFFAOYSA-N 0 0 393.424 4.229 40 0 GIABRN O=C(CSc1nnc(COc2ccccc2F)o1)Nc1ccccc1Cl ZINC000409385205 534677512 /nfs/dbraw/zinc/67/75/12/534677512.db2.gz JWSVAIJIKIJTJW-UHFFFAOYSA-N 0 0 393.827 4.172 40 0 GIABRN Cc1cccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)c1C ZINC000408667540 534745817 /nfs/dbraw/zinc/74/58/17/534745817.db2.gz BIKWDXJUFXIADG-NYSBEXSLSA-N 0 0 388.467 4.257 40 0 GIABRN O=C1S/C(=C/c2ccc3c(c2)OCCO3)C(=O)N1CCCc1ccccc1 ZINC000409140383 534823240 /nfs/dbraw/zinc/82/32/40/534823240.db2.gz DXEOISKFMOEEOX-XMHGGMMESA-N 0 0 381.453 4.127 40 0 GIABRN O=C(NCCCO)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000408980386 534844967 /nfs/dbraw/zinc/84/49/67/534844967.db2.gz WCCZGZUQHOFQCE-UHFFFAOYSA-N 0 0 395.509 4.199 40 0 GIABRN CC(=O)N1CCN(c2ccccc2NC(=O)/C=C/c2ccc(C(C)C)cc2)CC1 ZINC000408628796 526638103 /nfs/dbraw/zinc/63/81/03/526638103.db2.gz AMASEEIAIZZFCF-JLHYYAGUSA-N 0 0 391.515 4.130 40 0 GIABRN CC(=O)O[C@@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000123368747 527117012 /nfs/dbraw/zinc/11/70/12/527117012.db2.gz FXIBWMJBQIDNKR-DCEKRDNASA-N 0 0 390.520 4.072 40 0 GIABRN CC(C)C(=O)NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 ZINC000408624129 527484097 /nfs/dbraw/zinc/48/40/97/527484097.db2.gz BEAPARDMCCHVRF-UHFFFAOYSA-N 0 0 381.457 4.154 40 0 GIABRN CCCC(=O)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000408628812 527968223 /nfs/dbraw/zinc/96/82/23/527968223.db2.gz BFIYBFCPTVLWNM-UHFFFAOYSA-N 0 0 385.895 4.041 40 0 GIABRN CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(Cl)c4)c3)C(=O)[C@@H]2C1 ZINC000408681414 528123318 /nfs/dbraw/zinc/12/33/18/528123318.db2.gz JHEPQGUJVHIYEF-RTBURBONSA-N 0 0 394.858 4.438 40 0 GIABRN CCOc1ccccc1-c1nc(SCC(=O)Nc2ccc(Cl)cc2)n[nH]1 ZINC000408528215 528701147 /nfs/dbraw/zinc/70/11/47/528701147.db2.gz UKAOOIHTUABKGX-UHFFFAOYSA-N 0 0 388.880 4.255 40 0 GIABRN CCOC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C)c(C)c1 ZINC000409104459 528852910 /nfs/dbraw/zinc/85/29/10/528852910.db2.gz ZVMCGHWDSXAYSL-UHFFFAOYSA-N 0 0 381.501 4.130 40 0 GIABRN CCC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000409411480 528899525 /nfs/dbraw/zinc/89/95/25/528899525.db2.gz XIVYJKPCIFMVIC-QGZVFWFLSA-N 0 0 388.533 4.331 40 0 GIABRN CC(C)NC(=O)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 ZINC000408980110 529138143 /nfs/dbraw/zinc/13/81/43/529138143.db2.gz VAIFGCZLFTTZNU-UHFFFAOYSA-N 0 0 384.443 4.284 40 0 GIABRN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(C)ccc1OC ZINC000117651231 529254154 /nfs/dbraw/zinc/25/41/54/529254154.db2.gz WNMSGDSQHCIBLT-JXFKEZNVSA-N 0 0 384.476 4.283 40 0 GIABRN COc1c(O)cc2c(c1OC)-c1c(cc(O)c(OC)c1OC)C[C@H](C)[C@H](C)C2 ZINC000017779008 560094392 /nfs/dbraw/zinc/09/43/92/560094392.db2.gz PICOUNAPKDEPCA-TXEJJXNPSA-N 0 0 388.460 4.170 40 0 biogenic,in-vitro GIABRN O=C(NC1CCCCC1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3cccs3)ccc12 ZINC000004237155 560197661 /nfs/dbraw/zinc/19/76/61/560197661.db2.gz VGTQSQBQSNAZIY-JKSUJKDBSA-N 0 0 397.544 4.038 40 0 biogenic,in-vitro GIABRN CC[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1CC(=O)NC1CC1 ZINC000005414851 560201859 /nfs/dbraw/zinc/20/18/59/560201859.db2.gz SCHFHUYYXBFSMD-KBPBESRZSA-N 0 0 397.441 4.254 40 0 biogenic,in-vitro GIABRN Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)C2CCCCC2)C1 ZINC000008297934 560208261 /nfs/dbraw/zinc/20/82/61/560208261.db2.gz SYJAPOMCZAHEMG-AZUAARDMSA-N 0 0 390.527 4.350 40 0 biogenic,in-vitro GIABRN Cc1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCC3)n2)c(Cl)c1 ZINC000329018321 570212489 /nfs/dbraw/zinc/21/24/89/570212489.db2.gz NPEAUANFUWREIG-UHFFFAOYSA-N 0 0 379.895 4.442 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2ccccc2Br)cc(-c2cccnc2)n1 ZINC000329038666 570214150 /nfs/dbraw/zinc/21/41/50/570214150.db2.gz RUCNXULANJJVOB-CYBMUJFWSA-N 0 0 398.308 4.099 40 0 GIABRN CC(C)[C@H](CO)Nc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C2CC2)n1 ZINC000329039766 570214391 /nfs/dbraw/zinc/21/43/91/570214391.db2.gz RZWYPWGPGSHRKP-IBGZPJMESA-N 0 0 380.536 4.081 40 0 GIABRN Clc1ccccc1CNc1cc(-c2ccccn2)nc(NC2CCCCC2)n1 ZINC000329043115 570214941 /nfs/dbraw/zinc/21/49/41/570214941.db2.gz SRMINJSFTFPAFA-UHFFFAOYSA-N 0 0 393.922 4.393 40 0 GIABRN Cc1nc([C@H]2CCCCN2Cc2ccccc2)ncc1C(=O)N1CCCCC1 ZINC000019765740 570217120 /nfs/dbraw/zinc/21/71/20/570217120.db2.gz IWWBBHUDYMIEJE-OAQYLSRUSA-N 0 0 378.520 4.138 40 0 GIABRN Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4C)[C@@H]3C2=O)c1 ZINC000005254284 570251840 /nfs/dbraw/zinc/25/18/40/570251840.db2.gz ZBLYLOUOOPRVGQ-ZRBLBEILSA-N 0 0 398.462 4.355 40 0 GIABRN CCOc1cc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2)ccc1O ZINC000006553892 570277127 /nfs/dbraw/zinc/27/71/27/570277127.db2.gz OBZFUZZSKOCONQ-UCFCWBNQSA-N 0 0 395.499 4.299 40 0 GIABRN CCN(CC)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 ZINC000002446893 570287264 /nfs/dbraw/zinc/28/72/64/570287264.db2.gz FXYGHTHVOAZJHU-UHFFFAOYSA-N 0 0 380.517 4.203 40 0 GIABRN Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 ZINC000020837012 570288047 /nfs/dbraw/zinc/28/80/47/570288047.db2.gz RNWXLWCFZZDCHQ-UHFFFAOYSA-N 0 0 386.517 4.039 40 0 GIABRN CCOc1ccc(Br)cc1C(=O)Nc1ccc(OC)cc1OC ZINC000021125452 570291416 /nfs/dbraw/zinc/29/14/16/570291416.db2.gz NWDRZLLEOLDVQY-UHFFFAOYSA-N 0 0 380.238 4.117 40 0 GIABRN Cc1ccc([C@@H](C)NC(=O)c2ccccc2I)c(C)c1 ZINC000042354214 570297124 /nfs/dbraw/zinc/29/71/24/570297124.db2.gz KAZSMTIJFBPCQQ-CYBMUJFWSA-N 0 0 379.241 4.399 40 0 GIABRN CCOc1ccc([C@H](C)NC(=O)COc2ccc(Br)c(C)c2)cc1 ZINC000216293250 570298447 /nfs/dbraw/zinc/29/84/47/570298447.db2.gz PVFHGMXDDUCGTN-AWEZNQCLSA-N 0 0 392.293 4.412 40 0 GIABRN COc1ccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2C)c(OC)c1 ZINC000021595255 570306607 /nfs/dbraw/zinc/30/66/07/570306607.db2.gz GNRPYSHBEHDHCM-UHFFFAOYSA-N 0 0 380.400 4.110 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(Br)nc2)cc1 ZINC000072211591 570313773 /nfs/dbraw/zinc/31/37/73/570313773.db2.gz SDKAHPRSMIINFK-MRXNPFEDSA-N 0 0 395.322 4.068 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2NCC(C)C)cc1 ZINC000072213292 570314078 /nfs/dbraw/zinc/31/40/78/570314078.db2.gz IMBNXMWQBBTZNB-HXUWFJFHSA-N 0 0 387.549 4.374 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cnc(N3CCCC3)c(C)c2)cc1 ZINC000072218839 570317744 /nfs/dbraw/zinc/31/77/44/570317744.db2.gz LKOQTXSKFBPWCJ-NRFANRHFSA-N 0 0 399.560 4.215 40 0 GIABRN COC(=O)c1cccc(NC(=O)c2cc(Br)ccc2Cl)c1C ZINC000044625027 570321840 /nfs/dbraw/zinc/32/18/40/570321840.db2.gz ZBHRCZHNURYBQH-UHFFFAOYSA-N 0 0 382.641 4.450 40 0 GIABRN Clc1ccc(COc2ccc(Cl)cc2CNc2nn[nH]n2)c(Cl)c1 ZINC000022112280 570326072 /nfs/dbraw/zinc/32/60/72/570326072.db2.gz MMLZSRUQDIDMIV-UHFFFAOYSA-N 0 0 384.654 4.351 40 0 GIABRN Cc1cc(OCC(=O)N[C@@H](C)CCc2ccccc2)ccc1Br ZINC000218824433 570341771 /nfs/dbraw/zinc/34/17/71/570341771.db2.gz XUWWSVZIAUJKIO-HNNXBMFYSA-N 0 0 376.294 4.274 40 0 GIABRN CC(C)c1ccc(OCC(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000218963491 570344532 /nfs/dbraw/zinc/34/45/32/570344532.db2.gz SLYKQISCLVLRGE-UHFFFAOYSA-N 0 0 385.851 4.209 40 0 GIABRN COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 ZINC000219024518 570345906 /nfs/dbraw/zinc/34/59/06/570345906.db2.gz VDXBEKQSUKSQJB-SJORKVTESA-N 0 0 379.456 4.199 40 0 GIABRN Cc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3cccc4ccccc43)n2)c1 ZINC000219048464 570346753 /nfs/dbraw/zinc/34/67/53/570346753.db2.gz WIWVJJCJTIXKFA-INIZCTEOSA-N 0 0 387.439 4.282 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1C ZINC000003482751 570347576 /nfs/dbraw/zinc/34/75/76/570347576.db2.gz LWYQIPWGTHXUBO-UHFFFAOYSA-N 0 0 386.517 4.120 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC000003569734 570348459 /nfs/dbraw/zinc/34/84/59/570348459.db2.gz LGPHNOHTQKYLEU-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN Cc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003592096 570348529 /nfs/dbraw/zinc/34/85/29/570348529.db2.gz JTDNPHFBNUIROI-UHFFFAOYSA-N 0 0 386.517 4.155 40 0 GIABRN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(N3CCCC3=O)cc1)CC(C)(C)O2 ZINC000219204419 570349403 /nfs/dbraw/zinc/34/94/03/570349403.db2.gz LMBLBHIMGOTXCZ-LJQANCHMSA-N 0 0 378.472 4.154 40 0 GIABRN O=C(NCc1cccc2ccccc21)c1ccccc1I ZINC000055460736 570350363 /nfs/dbraw/zinc/35/03/63/570350363.db2.gz HBWZNDWIWHGERX-UHFFFAOYSA-N 0 0 387.220 4.374 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)cc(C)c3C)n2)c1 ZINC000219304411 570353504 /nfs/dbraw/zinc/35/35/04/570353504.db2.gz UIPYGGGZZVUPAE-SFHVURJKSA-N 0 0 393.487 4.396 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219319207 570354510 /nfs/dbraw/zinc/35/45/10/570354510.db2.gz CGOORISBNKNIPY-QGZVFWFLSA-N 0 0 385.851 4.172 40 0 GIABRN CC[C@H](Oc1ccccc1C)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000219315929 570354534 /nfs/dbraw/zinc/35/45/34/570354534.db2.gz GYEDFPKRHMEHEX-SFHVURJKSA-N 0 0 379.460 4.169 40 0 GIABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 ZINC000219325522 570354840 /nfs/dbraw/zinc/35/48/40/570354840.db2.gz VDJDSRDXDUURAB-QGZVFWFLSA-N 0 0 385.851 4.172 40 0 GIABRN CC[C@@H](NC(=O)[C@@H](CC)Oc1ccc(F)cc1)c1ccc(OC)c(OC)c1 ZINC000219328344 570355091 /nfs/dbraw/zinc/35/50/91/570355091.db2.gz NJCHRSRSGJWUCV-QZTJIDSGSA-N 0 0 375.440 4.268 40 0 GIABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219327942 570355103 /nfs/dbraw/zinc/35/51/03/570355103.db2.gz KHHGJNMYTPGXJN-OALUTQOASA-N 0 0 387.451 4.410 40 0 GIABRN CCn1c(SCC(=O)Nc2ccccc2)nnc1[C@@H](C)Oc1ccccc1 ZINC000008090442 570356611 /nfs/dbraw/zinc/35/66/11/570356611.db2.gz GWGIAQDNYVAVSN-OAHLLOKOSA-N 0 0 382.489 4.169 40 0 GIABRN CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1nc(-c2cccc(C)c2)no1 ZINC000219370901 570357182 /nfs/dbraw/zinc/35/71/82/570357182.db2.gz FYBKJRBMMBSXSO-SFHVURJKSA-N 0 0 379.460 4.136 40 0 GIABRN O=C(c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2)N1CCOCC1 ZINC000004150580 570360202 /nfs/dbraw/zinc/36/02/02/570360202.db2.gz QHAQFOIXFHDOMH-AONIPZHHSA-N 0 0 388.511 4.456 40 0 GIABRN O=Cc1c(-c2ccc(Br)cc2)nc2ccc(Br)cn12 ZINC000004241272 570363653 /nfs/dbraw/zinc/36/36/53/570363653.db2.gz RHPXBKKDPWQFOM-UHFFFAOYSA-N 0 0 380.039 4.339 40 0 GIABRN COC(=O)c1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1Cl ZINC000006440977 570364768 /nfs/dbraw/zinc/36/47/68/570364768.db2.gz GOFKVSYWYXSTDW-UHFFFAOYSA-N 0 0 388.634 4.451 40 0 GIABRN O=C(NC(=S)Nc1ccc(Cl)cn1)c1cccc(OCc2ccccc2)c1 ZINC000408618772 570365355 /nfs/dbraw/zinc/36/53/55/570365355.db2.gz FLPYDTKINVCJNI-UHFFFAOYSA-N 0 0 397.887 4.441 40 0 GIABRN Cc1ccc(O[C@@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1C ZINC000219521849 570365548 /nfs/dbraw/zinc/36/55/48/570365548.db2.gz DFTUALALGQHEPS-AWEZNQCLSA-N 0 0 385.851 4.091 40 0 GIABRN Cc1ccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c(C)c1 ZINC000219538767 570366437 /nfs/dbraw/zinc/36/64/37/570366437.db2.gz SZCFTTZHEOLKMK-OAHLLOKOSA-N 0 0 399.878 4.433 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 ZINC000219550481 570366634 /nfs/dbraw/zinc/36/66/34/570366634.db2.gz CAELSZYEMUUJFG-UZLBHIALSA-N 0 0 383.488 4.498 40 0 GIABRN CC[C@@H](Oc1ccccc1OC)C(=O)NCCSCc1ccccc1F ZINC000219558638 570367904 /nfs/dbraw/zinc/36/79/04/570367904.db2.gz PJFVPICTTCHSSZ-QGZVFWFLSA-N 0 0 377.481 4.041 40 0 GIABRN 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[C@@H]32)C1 ZINC000118935745 570368994 /nfs/dbraw/zinc/36/89/94/570368994.db2.gz TVQDBRRFOFGWDS-QIRQPCKNSA-N 0 0 376.537 4.281 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2ccccc2F)ccc1Cl ZINC000219578884 570369525 /nfs/dbraw/zinc/36/95/25/570369525.db2.gz OTRQKLGSYMBPKY-INIZCTEOSA-N 0 0 379.815 4.452 40 0 GIABRN COc1ccc(CCN2CCOc3nc4cc(C)c(C)cc4cc3C2)cc1OC ZINC000057718935 570370840 /nfs/dbraw/zinc/37/08/40/570370840.db2.gz VNMARCNVZUKNPG-UHFFFAOYSA-N 0 0 392.499 4.306 40 0 GIABRN O=C(NC12CC3CC(CC(C3)C1)C2)c1nn(CC2CCOCC2)c2ccccc21 ZINC000575631098 570372118 /nfs/dbraw/zinc/37/21/18/570372118.db2.gz WFDRVDUEMGJILX-UHFFFAOYSA-N 0 0 393.531 4.162 40 0 in-vitro GIABRN COc1cccc(-c2noc(CNC(=O)c3ccccc3SC(C)C)n2)c1 ZINC000219658709 570372112 /nfs/dbraw/zinc/37/21/12/570372112.db2.gz ZXFCRMQKVNMRGM-UHFFFAOYSA-N 0 0 383.473 4.176 40 0 GIABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCSC1CCCCC1 ZINC000219676661 570372786 /nfs/dbraw/zinc/37/27/86/570372786.db2.gz SUJGQGRQBVTLTP-CYBMUJFWSA-N 0 0 386.355 4.399 40 0 GIABRN Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 ZINC000219687803 570373076 /nfs/dbraw/zinc/37/30/76/570373076.db2.gz MWEAXRZMYPUYRY-LSDHHAIUSA-N 0 0 392.293 4.109 40 0 GIABRN Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000219687483 570373162 /nfs/dbraw/zinc/37/31/62/570373162.db2.gz ZRPDHZQKXWIZCG-LSDHHAIUSA-N 0 0 392.293 4.109 40 0 GIABRN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1ccc(F)cc1 ZINC000006615042 570376967 /nfs/dbraw/zinc/37/69/67/570376967.db2.gz VAIUCMLYCVKFQW-UHFFFAOYSA-N 0 0 377.872 4.206 40 0 GIABRN Cc1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c(O)c1 ZINC000408625746 570377040 /nfs/dbraw/zinc/37/70/40/570377040.db2.gz ZBROQCXATNYUIE-UHFFFAOYSA-N 0 0 392.480 4.406 40 0 GIABRN CC(C)C(=O)NC(=S)Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000408627175 570379362 /nfs/dbraw/zinc/37/93/62/570379362.db2.gz KZYAFYOAVIVIEE-UHFFFAOYSA-N 0 0 389.864 4.323 40 0 GIABRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O ZINC000006650388 570379361 /nfs/dbraw/zinc/37/93/61/570379361.db2.gz ISALOLUORSEZMJ-NTUHNPAUSA-N 0 0 388.272 4.373 40 0 GIABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)COc3ccccc3C)nc21 ZINC000408628962 570381130 /nfs/dbraw/zinc/38/11/30/570381130.db2.gz YRNWXUDMIIIFPK-UHFFFAOYSA-N 0 0 385.514 4.114 40 0 GIABRN CCc1nnc2sc(-c3ccc(C)c(NC(=O)/C=C/c4ccccc4)c3)nn12 ZINC000408629224 570381686 /nfs/dbraw/zinc/38/16/86/570381686.db2.gz QLIAPJRIUOWYKR-ZRDIBKRKSA-N 0 0 389.484 4.376 40 0 GIABRN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(CC)cc3)cc2Cl)CC1 ZINC000408629263 570381956 /nfs/dbraw/zinc/38/19/56/570381956.db2.gz SWNXYNCWQCCNKQ-UHFFFAOYSA-N 0 0 399.922 4.213 40 0 GIABRN Cc1ccc(C)c(NC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 ZINC000220351477 570385623 /nfs/dbraw/zinc/38/56/23/570385623.db2.gz ZXTNKNZSDUBQME-HNNXBMFYSA-N 0 0 394.924 4.058 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1F ZINC000222412135 570409949 /nfs/dbraw/zinc/40/99/49/570409949.db2.gz KBONCJADFRBLFQ-NRFANRHFSA-N 0 0 384.495 4.009 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222434988 570410503 /nfs/dbraw/zinc/41/05/03/570410503.db2.gz GJZOQHNGDKLWQB-IBGZPJMESA-N 0 0 380.532 4.214 40 0 GIABRN C[C@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000222526087 570413527 /nfs/dbraw/zinc/41/35/27/570413527.db2.gz NCQVLOBIPAPVNY-KRWDZBQOSA-N 0 0 394.496 4.003 40 0 GIABRN Cc1cccc(C)c1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 ZINC000222526555 570413663 /nfs/dbraw/zinc/41/36/63/570413663.db2.gz NDOLYIOHIXFZOU-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)nc1 ZINC000222591723 570415831 /nfs/dbraw/zinc/41/58/31/570415831.db2.gz FYBOVJHZYROGGX-CWFSZBLJSA-N 0 0 375.501 4.165 40 0 GIABRN COC(=O)c1cn(S(=O)(=O)Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000222607430 570416749 /nfs/dbraw/zinc/41/67/49/570416749.db2.gz PFAIMRQSEKZQPG-UHFFFAOYSA-N 0 0 398.267 4.113 40 0 GIABRN CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1OCC ZINC000222618571 570416912 /nfs/dbraw/zinc/41/69/12/570416912.db2.gz KFFAFBSKVCVVGC-QGZVFWFLSA-N 0 0 397.515 4.447 40 0 GIABRN O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000222633240 570417970 /nfs/dbraw/zinc/41/79/70/570417970.db2.gz NZBCYGMXKZTWOJ-UHFFFAOYSA-N 0 0 380.835 4.309 40 0 GIABRN C[C@H](NC(=O)CSCc1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC000222656046 570419041 /nfs/dbraw/zinc/41/90/41/570419041.db2.gz AJNBXZGKQLXPTB-ZDUSSCGKSA-N 0 0 377.893 4.222 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(Cl)c(O)c(OC)c3)N21 ZINC000222657064 570419067 /nfs/dbraw/zinc/41/90/67/570419067.db2.gz YQLIDUXUGISXPR-CSMYWGQOSA-N 0 0 389.908 4.429 40 0 GIABRN Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1C ZINC000222659095 570419272 /nfs/dbraw/zinc/41/92/72/570419272.db2.gz JYDMERPAVDSCLU-IBGZPJMESA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(O)cc3Cl)N21 ZINC000222673860 570420105 /nfs/dbraw/zinc/42/01/05/570420105.db2.gz JWGPBXLWGXVPOW-UZCIPKQKSA-N 0 0 389.908 4.429 40 0 GIABRN Cc1ccc(C)c(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222704200 570421334 /nfs/dbraw/zinc/42/13/34/570421334.db2.gz YFENFLCCRPWGTG-FQEVSTJZSA-N 0 0 394.559 4.486 40 0 GIABRN Cc1ccc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222709123 570421636 /nfs/dbraw/zinc/42/16/36/570421636.db2.gz LIWOWGULMWJXAY-IBGZPJMESA-N 0 0 396.531 4.014 40 0 GIABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCc2ccccc2)c1 ZINC000222711719 570421780 /nfs/dbraw/zinc/42/17/80/570421780.db2.gz PWKUMCCRMGHJGF-XLNRJJMWSA-N 0 0 388.467 4.108 40 0 GIABRN S=c1[nH]ncn1NCc1cc(Br)ccc1OCc1ccccc1 ZINC000007602566 570421951 /nfs/dbraw/zinc/42/19/51/570421951.db2.gz MTBVTWFDYUGYHQ-UHFFFAOYSA-N 0 0 391.294 4.026 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222711819 570421932 /nfs/dbraw/zinc/42/19/32/570421932.db2.gz UQFBCVJXSGUKAM-IBGZPJMESA-N 0 0 380.532 4.178 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cccc(Cl)c1 ZINC000222771206 570424901 /nfs/dbraw/zinc/42/49/01/570424901.db2.gz QGJLBKPGOPNPBV-KRWDZBQOSA-N 0 0 375.852 4.146 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)COc3ccccc3C(C)(C)C)n2)c1 ZINC000222803002 570426699 /nfs/dbraw/zinc/42/66/99/570426699.db2.gz ZFAIABLFKFFHIJ-UHFFFAOYSA-N 0 0 393.487 4.380 40 0 GIABRN CC(C)c1ccccc1OCC(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000222814303 570427384 /nfs/dbraw/zinc/42/73/84/570427384.db2.gz PJDCEUDZQXYACB-UHFFFAOYSA-N 0 0 385.851 4.209 40 0 GIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000222889996 570430208 /nfs/dbraw/zinc/43/02/08/570430208.db2.gz HOQIFTHNJVREDQ-OALUTQOASA-N 0 0 397.935 4.303 40 0 GIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(OC)cc1 ZINC000222887453 570430233 /nfs/dbraw/zinc/43/02/33/570430233.db2.gz IERFRDPRLQZNCN-SFTDATJTSA-N 0 0 392.528 4.263 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)ccc1C ZINC000222926745 570431806 /nfs/dbraw/zinc/43/18/06/570431806.db2.gz MIHBQQUUQHSSGM-KRWDZBQOSA-N 0 0 386.923 4.053 40 0 GIABRN O=C(NCCSc1n[nH]c(-c2ccccc2)n1)c1cccc(C(F)(F)F)c1 ZINC000222963730 570433739 /nfs/dbraw/zinc/43/37/39/570433739.db2.gz RQHNPTKOKRMVKK-UHFFFAOYSA-N 0 0 392.406 4.013 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CSCc1ccccc1C ZINC000222967755 570433783 /nfs/dbraw/zinc/43/37/83/570433783.db2.gz HNJCPSKIEXVVQX-OAQYLSRUSA-N 0 0 398.572 4.090 40 0 GIABRN C[C@@H]1Cc2cc(Br)ccc2N1C(=O)COc1ccc(Cl)cc1 ZINC000222970224 570433975 /nfs/dbraw/zinc/43/39/75/570433975.db2.gz AXFLSTKDZIHJRF-LLVKDONJSA-N 0 0 380.669 4.459 40 0 GIABRN COc1cccc(-c2nnc(SC(=O)c3ccccc3Br)o2)c1 ZINC000007939602 570434150 /nfs/dbraw/zinc/43/41/50/570434150.db2.gz TYAVHPCITCQDCN-UHFFFAOYSA-N 0 0 391.246 4.440 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222977500 570434613 /nfs/dbraw/zinc/43/46/13/570434613.db2.gz JNWRZZBDVCPBPG-KRWDZBQOSA-N 0 0 386.923 4.216 40 0 GIABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 ZINC000223032536 570438687 /nfs/dbraw/zinc/43/86/87/570438687.db2.gz WGNPJCIVCLFVEJ-WOJBJXKFSA-N 0 0 384.549 4.007 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 ZINC000223043879 570439438 /nfs/dbraw/zinc/43/94/38/570439438.db2.gz VHKYWNAGVDOUKD-HXUWFJFHSA-N 0 0 380.532 4.180 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223048117 570439936 /nfs/dbraw/zinc/43/99/36/570439936.db2.gz GTIMJYXCASWJIM-QFIPXVFZSA-N 0 0 396.531 4.051 40 0 GIABRN CC(C)CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)C(C)C ZINC000223061462 570441109 /nfs/dbraw/zinc/44/11/09/570441109.db2.gz VEGQGUWITPAZKJ-HSZRJFAPSA-N 0 0 394.559 4.445 40 0 GIABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 ZINC000223075899 570441602 /nfs/dbraw/zinc/44/16/02/570441602.db2.gz WAWYOFURTKCNFV-NHCUHLMSSA-N 0 0 398.576 4.397 40 0 GIABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000223083996 570442115 /nfs/dbraw/zinc/44/21/15/570442115.db2.gz POVLHBAWNRSZFJ-INIZCTEOSA-N 0 0 394.515 4.500 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1 ZINC000223090443 570442492 /nfs/dbraw/zinc/44/24/92/570442492.db2.gz YERULSMPJAGBRH-FQEVSTJZSA-N 0 0 396.531 4.016 40 0 GIABRN CCOP(=O)(OCC)C(=Cn1c2ccc(C)cc2[nH]c1=S)C(=O)OC ZINC000005499842 570443002 /nfs/dbraw/zinc/44/30/02/570443002.db2.gz OGHXQXOXSWUVDD-GXDHUFHOSA-N 0 0 384.394 4.245 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCSCc1ccccc1 ZINC000223094714 570443237 /nfs/dbraw/zinc/44/32/37/570443237.db2.gz PQWCFVHNCSOJFL-OAQYLSRUSA-N 0 0 398.572 4.172 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223136619 570445963 /nfs/dbraw/zinc/44/59/63/570445963.db2.gz VQKOPZWBXBUFAQ-OAQYLSRUSA-N 0 0 380.532 4.341 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1C ZINC000223141222 570446268 /nfs/dbraw/zinc/44/62/68/570446268.db2.gz XPZCDMIMHCOWLP-QZTJIDSGSA-N 0 0 384.495 4.009 40 0 GIABRN COc1ccc(S(=O)(=O)NCCSCc2ccc(C)cc2)cc1C(C)C ZINC000008041057 570446787 /nfs/dbraw/zinc/44/67/87/570446787.db2.gz RSQSPJZMKTWVRT-UHFFFAOYSA-N 0 0 393.574 4.339 40 0 GIABRN CCOC(=O)c1cnc(SCc2ccc(Cl)c(Cl)c2)nc1N1C[C@@H]1C ZINC000005575667 570447396 /nfs/dbraw/zinc/44/73/96/570447396.db2.gz GXAQTHYNNMZNRI-USNSHUAOSA-N 0 0 398.315 4.461 40 0 GIABRN Cc1ccccc1-c1noc(CNC(=O)[C@H](C)Oc2cccc3c2CCCC3)n1 ZINC000223190236 570448536 /nfs/dbraw/zinc/44/85/36/570448536.db2.gz CBWNBCIKRMNJAG-INIZCTEOSA-N 0 0 391.471 4.008 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C ZINC000223186774 570448699 /nfs/dbraw/zinc/44/86/99/570448699.db2.gz ACKAPQXSCQDKPC-FQEVSTJZSA-N 0 0 386.923 4.053 40 0 GIABRN CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C)c1C)c1ccc(OC)c(C)c1 ZINC000223191725 570448964 /nfs/dbraw/zinc/44/89/64/570448964.db2.gz RIHPPLLNOFXQBZ-QGZVFWFLSA-N 0 0 377.506 4.059 40 0 GIABRN CC[C@@H](NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1)c1ccccc1C ZINC000223240416 570452288 /nfs/dbraw/zinc/45/22/88/570452288.db2.gz ZOPBSKBAHSAGBO-QGZVFWFLSA-N 0 0 392.546 4.105 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 ZINC000223240851 570452392 /nfs/dbraw/zinc/45/23/92/570452392.db2.gz BOHFIRMDZQOVBA-SFHVURJKSA-N 0 0 393.314 4.089 40 0 GIABRN CCOc1ccc(S(=O)(=O)Nc2ccc(OC)c3ncccc23)cc1Cl ZINC000223252932 570453128 /nfs/dbraw/zinc/45/31/28/570453128.db2.gz KUVKFIZFGRZVQQ-UHFFFAOYSA-N 0 0 392.864 4.096 40 0 GIABRN COc1ccc2cc(S(=O)(=O)N[C@H](C)c3ccc4c(c3)CCC4)ccc2c1 ZINC000223254297 570453237 /nfs/dbraw/zinc/45/32/37/570453237.db2.gz BPEUACPZKHWKHW-OAHLLOKOSA-N 0 0 381.497 4.377 40 0 GIABRN O=C(CSc1nc2ccccc2n1Cc1ccccc1F)Nc1nccs1 ZINC000035289683 570455143 /nfs/dbraw/zinc/45/51/43/570455143.db2.gz YLQCPGXZNGCYHB-UHFFFAOYSA-N 0 0 398.488 4.411 40 0 GIABRN CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223311997 570457694 /nfs/dbraw/zinc/45/76/94/570457694.db2.gz HCYWEECQXHSCFY-KNQAVFIVSA-N 0 0 380.532 4.341 40 0 GIABRN CCCC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC ZINC000223315657 570458068 /nfs/dbraw/zinc/45/80/68/570458068.db2.gz MDQKVFVXKVZZBV-FQEVSTJZSA-N 0 0 386.923 4.216 40 0 GIABRN CCOC(=O)[C@@H]1[C@@H](c2ccccc2)N(C)O[C@@]1(c1ccccc1)C(F)(F)F ZINC000005844089 570458645 /nfs/dbraw/zinc/45/86/45/570458645.db2.gz GBGLXQDOGHCYJD-YQVWRLOYSA-N 0 0 379.378 4.242 40 0 GIABRN COc1cc(C)c([C@H](C)NS(=O)(=O)Cc2ccc(F)cc2)cc1C(C)C ZINC000223323716 570458644 /nfs/dbraw/zinc/45/86/44/570458644.db2.gz GTPKGBZDFBFTNM-HNNXBMFYSA-N 0 0 379.497 4.447 40 0 GIABRN CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C ZINC000223341231 570459917 /nfs/dbraw/zinc/45/99/17/570459917.db2.gz RESWMCREVSDNMH-PMACEKPBSA-N 0 0 380.517 4.286 40 0 GIABRN CCCCc1ccc(NS(=O)(=O)c2cc3oc(=O)n(CC)c3cc2C)cc1 ZINC000223357764 570461294 /nfs/dbraw/zinc/46/12/94/570461294.db2.gz DZILKQAWWZPJTF-UHFFFAOYSA-N 0 0 388.489 4.066 40 0 GIABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccs2)cc1 ZINC000223408104 570464508 /nfs/dbraw/zinc/46/45/08/570464508.db2.gz FFXMFWGJIUPBFM-RBUKOAKNSA-N 0 0 381.526 4.324 40 0 GIABRN CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C ZINC000223456761 570467177 /nfs/dbraw/zinc/46/71/77/570467177.db2.gz BYCZVCHJOLRPCR-SFTDATJTSA-N 0 0 391.544 4.088 40 0 GIABRN COc1cccc(OC)c1NC(=O)C1CCN(c2nc3ccccc3s2)CC1 ZINC000035312253 570467485 /nfs/dbraw/zinc/46/74/85/570467485.db2.gz QYEKHISSPIFFMJ-UHFFFAOYSA-N 0 0 397.500 4.169 40 0 GIABRN O=C(Nc1ccc2c(c1)CCC2)[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 ZINC000035312992 570467769 /nfs/dbraw/zinc/46/77/69/570467769.db2.gz MCHCCGBFTUWPJE-KRWDZBQOSA-N 0 0 381.451 4.197 40 0 GIABRN CCOc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1Cl ZINC000223470198 570467955 /nfs/dbraw/zinc/46/79/55/570467955.db2.gz OGJGAKHLVSGHPJ-RMKNXTFCSA-N 0 0 384.907 4.210 40 0 GIABRN CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1 ZINC000223491600 570468179 /nfs/dbraw/zinc/46/81/79/570468179.db2.gz QJKBLTIMMUQWFU-WOJBJXKFSA-N 0 0 391.544 4.206 40 0 GIABRN CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1 ZINC000223486007 570468404 /nfs/dbraw/zinc/46/84/04/570468404.db2.gz QCIUNLFFZFWDSK-WOJBJXKFSA-N 0 0 377.517 4.032 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1Cc1ccccn1 ZINC000223522005 570469520 /nfs/dbraw/zinc/46/95/20/570469520.db2.gz PFGQQNYHHPUMCR-IAGOWNOFSA-N 0 0 386.933 4.364 40 0 GIABRN CC(=O)N1c2ccc(-c3nc(NC(=O)c4cccnc4)sc3C)cc2C[C@@H]1C ZINC000035315605 570469512 /nfs/dbraw/zinc/46/95/12/570469512.db2.gz QLPJFGKEWTZIFT-LBPRGKRZSA-N 0 0 392.484 4.063 40 0 GIABRN Cn1c(-c2ccc(F)cc2)cnc1NC(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 ZINC000035316569 570470271 /nfs/dbraw/zinc/47/02/71/570470271.db2.gz CTXFTQZUJNEWIW-AWEZNQCLSA-N 0 0 396.466 4.039 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223564609 570471578 /nfs/dbraw/zinc/47/15/78/570471578.db2.gz NQOFRZWMAFGCIC-JOCHJYFZSA-N 0 0 380.532 4.343 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000223599066 570473625 /nfs/dbraw/zinc/47/36/25/570473625.db2.gz OETOPSZHNOGEQB-QFIPXVFZSA-N 0 0 380.532 4.261 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1C ZINC000223607051 570474014 /nfs/dbraw/zinc/47/40/14/570474014.db2.gz XRRXRDPCEBXPJJ-JOCHJYFZSA-N 0 0 380.532 4.261 40 0 GIABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccc2ccccc2c1 ZINC000223610257 570474201 /nfs/dbraw/zinc/47/42/01/570474201.db2.gz CUKQLYCNCFZFNZ-QFIPXVFZSA-N 0 0 379.456 4.201 40 0 GIABRN Cc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc4c(c3)CCCC4)n2)cc1 ZINC000223643318 570476397 /nfs/dbraw/zinc/47/63/97/570476397.db2.gz HKTCOGYGHBEQPY-MRXNPFEDSA-N 0 0 391.471 4.008 40 0 GIABRN CC(C)Oc1cccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)c1 ZINC000006307313 570476460 /nfs/dbraw/zinc/47/64/60/570476460.db2.gz WHEHMKDFTWSMDS-UHFFFAOYSA-N 0 0 397.500 4.172 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223671936 570478057 /nfs/dbraw/zinc/47/80/57/570478057.db2.gz HPKCMJCBCYLIRV-LJQANCHMSA-N 0 0 396.531 4.051 40 0 GIABRN CCC1=NN(C(=O)c2ccccc2C)[C@@](O)(c2ccc(Br)cc2)C1 ZINC000000715024 570478521 /nfs/dbraw/zinc/47/85/21/570478521.db2.gz ZKQVPHPIEMTOSX-IBGZPJMESA-N 0 0 387.277 4.215 40 0 GIABRN Cc1cccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)c1 ZINC000223689468 570478836 /nfs/dbraw/zinc/47/88/36/570478836.db2.gz KVZRHYKQIZFNRI-STZFKDTASA-N 0 0 390.508 4.452 40 0 GIABRN C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccccc1 ZINC000006401717 570478948 /nfs/dbraw/zinc/47/89/48/570478948.db2.gz KTMGMYQJIKPRQG-HNNXBMFYSA-N 0 0 398.459 4.118 40 0 GIABRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=O)c1ccco1 ZINC000000778369 570479009 /nfs/dbraw/zinc/47/90/09/570479009.db2.gz OFHZJGXHYSEFEB-UHFFFAOYSA-N 0 0 398.440 4.249 40 0 GIABRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccccc1 ZINC000006401720 570479158 /nfs/dbraw/zinc/47/91/58/570479158.db2.gz KTMGMYQJIKPRQG-OAHLLOKOSA-N 0 0 398.459 4.118 40 0 GIABRN COc1ccc(O[C@]2(c3cc(OC)ccc3OC)OC(=O)c3ccccc32)cc1 ZINC000006411327 570479497 /nfs/dbraw/zinc/47/94/97/570479497.db2.gz ZYODGRBMMMTNDX-QHCPKHFHSA-N 0 0 392.407 4.163 40 0 GIABRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)/C=C/c4ccccc4)c3)nn12 ZINC000006478206 570481129 /nfs/dbraw/zinc/48/11/29/570481129.db2.gz AKEABDVCBLVUGS-PKNBQFBNSA-N 0 0 375.457 4.122 40 0 GIABRN CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccccc1 ZINC000000786359 570481194 /nfs/dbraw/zinc/48/11/94/570481194.db2.gz TVSQBGHXNFQWRM-UHFFFAOYSA-N 0 0 395.532 4.258 40 0 GIABRN CCOc1ccccc1CN(C)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 ZINC000223745691 570482561 /nfs/dbraw/zinc/48/25/61/570482561.db2.gz FPQMKSYYOQGZIC-UHFFFAOYSA-N 0 0 389.517 4.010 40 0 GIABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)[nH]c2C)cc1 ZINC000223748262 570482677 /nfs/dbraw/zinc/48/26/77/570482677.db2.gz VMXLOZHXJITYKR-VQTJNVASSA-N 0 0 378.501 4.212 40 0 GIABRN CCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223761085 570483344 /nfs/dbraw/zinc/48/33/44/570483344.db2.gz NCFSROXRQHZLFS-UTKZUKDTSA-N 0 0 384.495 4.090 40 0 GIABRN CC[C@H](C)Oc1ccc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)cc1 ZINC000006603723 570484405 /nfs/dbraw/zinc/48/44/05/570484405.db2.gz UVVDSIFWGUJTLF-YEVHIBAUSA-N 0 0 386.561 4.293 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223791280 570484695 /nfs/dbraw/zinc/48/46/95/570484695.db2.gz ONGKSKUNKKHJHQ-FQEVSTJZSA-N 0 0 392.543 4.322 40 0 GIABRN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2-c2ccccc2)ccc1C ZINC000223802668 570485111 /nfs/dbraw/zinc/48/51/11/570485111.db2.gz AFQRPIUCDNLICH-UHFFFAOYSA-N 0 0 381.453 4.249 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 ZINC000223834432 570486147 /nfs/dbraw/zinc/48/61/47/570486147.db2.gz JULICYJKBFVVDS-CQSZACIVSA-N 0 0 393.314 4.089 40 0 GIABRN CCCN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O ZINC000006657366 570486265 /nfs/dbraw/zinc/48/62/65/570486265.db2.gz TZNTZKRFOYXYHO-MHWRWJLKSA-N 0 0 388.401 4.310 40 0 GIABRN CC(C)c1ccccc1OCCNC(=O)COc1cccc(C(F)(F)F)c1 ZINC000223838908 570486496 /nfs/dbraw/zinc/48/64/96/570486496.db2.gz BXXNISGPEQPWNX-UHFFFAOYSA-N 0 0 381.394 4.403 40 0 GIABRN COc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)c(Cl)c1Cl ZINC000223851663 570487063 /nfs/dbraw/zinc/48/70/63/570487063.db2.gz JURJSOYSNKZLSZ-UHFFFAOYSA-N 0 0 394.707 4.176 40 0 GIABRN CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 ZINC000223866263 570488045 /nfs/dbraw/zinc/48/80/45/570488045.db2.gz PBPWTORVMCJVPD-PMACEKPBSA-N 0 0 378.501 4.347 40 0 GIABRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)COc2ccccc2C)cc1C(C)C ZINC000223890091 570488850 /nfs/dbraw/zinc/48/88/50/570488850.db2.gz VWRJRWGFZVCVDH-KRWDZBQOSA-N 0 0 391.533 4.181 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223894645 570489195 /nfs/dbraw/zinc/48/91/95/570489195.db2.gz HYJXGAZNADYTAN-GOSISDBHSA-N 0 0 396.506 4.153 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC3CCCCC3)cc2)cc1 ZINC000223931413 570490580 /nfs/dbraw/zinc/49/05/80/570490580.db2.gz INVIBONDTRDZAZ-UHFFFAOYSA-N 0 0 386.517 4.106 40 0 GIABRN CCCC[C@H](CC)CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000223928855 570490587 /nfs/dbraw/zinc/49/05/87/570490587.db2.gz FMVQOGQBEDDRFG-KRWDZBQOSA-N 0 0 388.533 4.434 40 0 GIABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCC2=CCCCC2)c1 ZINC000223937707 570490873 /nfs/dbraw/zinc/49/08/73/570490873.db2.gz MRVCUWSZMHGQLG-UHFFFAOYSA-N 0 0 398.528 4.416 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NC(C(C)C)C(C)C)c2)c1 ZINC000223947812 570491297 /nfs/dbraw/zinc/49/12/97/570491297.db2.gz OZHTXFOGMFOARU-UHFFFAOYSA-N 0 0 388.533 4.206 40 0 GIABRN CC(C)C(NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)C(C)C ZINC000223960646 570491842 /nfs/dbraw/zinc/49/18/42/570491842.db2.gz LYHPRUYURRUTSI-UHFFFAOYSA-N 0 0 392.496 4.037 40 0 GIABRN CCCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223975980 570492261 /nfs/dbraw/zinc/49/22/61/570492261.db2.gz DMWTWKOFCNWQBM-UHFFFAOYSA-N 0 0 380.897 4.061 40 0 GIABRN O=S(=O)(Nc1ccc2c(c1)oc1ccccc12)c1ccc2c(c1)OCCO2 ZINC000223977168 570492855 /nfs/dbraw/zinc/49/28/55/570492855.db2.gz OAEWWKSYRMXPNY-UHFFFAOYSA-N 0 0 381.409 4.158 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccs2)N1c1ccc2c(c1)OCO2 ZINC000223999620 570493640 /nfs/dbraw/zinc/49/36/40/570493640.db2.gz KCVIXYHFSFRCBJ-MSOLQXFVSA-N 0 0 381.482 4.049 40 0 GIABRN Cc1cc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)ccc1N1CCCC1=O ZINC000224000116 570493650 /nfs/dbraw/zinc/49/36/50/570493650.db2.gz GXRFFKLAVOCOFS-QGZVFWFLSA-N 0 0 392.499 4.407 40 0 GIABRN Cc1nc(NC(=S)NCC2(c3ccc(F)cc3)CCOCC2)ccc1Cl ZINC000224025267 570495004 /nfs/dbraw/zinc/49/50/04/570495004.db2.gz BYXCDUNIAWFKOU-UHFFFAOYSA-N 0 0 393.915 4.217 40 0 GIABRN Cc1c(Br)cnc(NC(=S)NC2CCCC2)c1Br ZINC000224033803 570495418 /nfs/dbraw/zinc/49/54/18/570495418.db2.gz FIWGGNUUNJXBEK-UHFFFAOYSA-N 0 0 393.148 4.144 40 0 GIABRN CCCCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224031687 570495484 /nfs/dbraw/zinc/49/54/84/570495484.db2.gz UWXGPYXRDSKUKY-UHFFFAOYSA-N 0 0 380.897 4.061 40 0 GIABRN CC(C)(C)CC(C)(C)NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000224055635 570496808 /nfs/dbraw/zinc/49/68/08/570496808.db2.gz FZLVTRYIKLMXJW-UHFFFAOYSA-N 0 0 396.597 4.081 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1C ZINC000224074846 570497313 /nfs/dbraw/zinc/49/73/13/570497313.db2.gz PDRLXRVZEQRZOZ-HSZRJFAPSA-N 0 0 394.559 4.304 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC3=CCCCC3)cc2C)cc1 ZINC000224090487 570498040 /nfs/dbraw/zinc/49/80/40/570498040.db2.gz RRSFKIUSELKJJZ-UHFFFAOYSA-N 0 0 398.528 4.334 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000224095706 570498411 /nfs/dbraw/zinc/49/84/11/570498411.db2.gz DKIXEHJTZUOGQQ-OAQYLSRUSA-N 0 0 398.572 4.421 40 0 GIABRN Cc1ccc(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000224105061 570499085 /nfs/dbraw/zinc/49/90/85/570499085.db2.gz OUHKBIZXMCUBDA-FQEVSTJZSA-N 0 0 392.543 4.056 40 0 GIABRN COc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1Br ZINC000006922133 570499124 /nfs/dbraw/zinc/49/91/24/570499124.db2.gz ICSQEYVQEDXXKE-UHFFFAOYSA-N 0 0 384.657 4.437 40 0 GIABRN Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1 ZINC000224113796 570499446 /nfs/dbraw/zinc/49/94/46/570499446.db2.gz FUHVURXRFXETPC-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3C)c2)c1 ZINC000224113887 570499471 /nfs/dbraw/zinc/49/94/71/570499471.db2.gz ANGZSGYYPWHBAT-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCc2ccco2)cc1 ZINC000224134345 570500196 /nfs/dbraw/zinc/50/01/96/570500196.db2.gz PWFFHEWJJLVKSN-HKWRFOASSA-N 0 0 394.496 4.169 40 0 GIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)NCCOc1ccc(C)c(Cl)c1 ZINC000224165195 570501775 /nfs/dbraw/zinc/50/17/75/570501775.db2.gz BCVIFHUWCDNPMG-IBGZPJMESA-N 0 0 377.868 4.010 40 0 GIABRN Cc1ccc(CN(C(=O)CSc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224176147 570502375 /nfs/dbraw/zinc/50/23/75/570502375.db2.gz WNSJSXZIMZZGEZ-LJQANCHMSA-N 0 0 398.572 4.277 40 0 GIABRN COC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccc(C(C)(C)C)cc2)c1 ZINC000224188031 570503012 /nfs/dbraw/zinc/50/30/12/570503012.db2.gz ZUWYXIQTYKYFLH-MRXNPFEDSA-N 0 0 385.504 4.336 40 0 GIABRN O=C(COc1ccccc1)NCCCc1nc2ccccc2n1Cc1ccccc1 ZINC000007343651 570503134 /nfs/dbraw/zinc/50/31/34/570503134.db2.gz JWIRPBBJYIBJIL-UHFFFAOYSA-N 0 0 399.494 4.212 40 0 GIABRN CC(C)CSc1nnc(NC(=O)COc2cccc3c2CCCC3)s1 ZINC000224203448 570503446 /nfs/dbraw/zinc/50/34/46/570503446.db2.gz USULNXWLAHIYEC-UHFFFAOYSA-N 0 0 377.535 4.183 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2cc(C)ccc2C)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224200472 570503458 /nfs/dbraw/zinc/50/34/58/570503458.db2.gz HQVPJRJUQLRRTJ-NRFANRHFSA-N 0 0 394.559 4.344 40 0 GIABRN O=S(=O)(Cc1c(Cl)cccc1Cl)NCCOc1ccc(Cl)cc1 ZINC000224213015 570503670 /nfs/dbraw/zinc/50/36/70/570503670.db2.gz IRXXFPUCHRFCFL-UHFFFAOYSA-N 0 0 394.707 4.145 40 0 GIABRN CC[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000224213955 570503760 /nfs/dbraw/zinc/50/37/60/570503760.db2.gz JQNGSYBAVVGKMY-AWEZNQCLSA-N 0 0 394.924 4.002 40 0 GIABRN Cc1cc(C)cc(OCc2nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)o2)c1 ZINC000000876045 570504159 /nfs/dbraw/zinc/50/41/59/570504159.db2.gz XLKCOBDLYFYTGJ-HOTGVXAUSA-N 0 0 389.521 4.147 40 0 GIABRN O=C1CCc2cc(S(=O)(=O)Nc3ccccc3-c3ccccc3)ccc2N1 ZINC000007419186 570504439 /nfs/dbraw/zinc/50/44/39/570504439.db2.gz PFFYFTUTHAVQCU-UHFFFAOYSA-N 0 0 378.453 4.039 40 0 GIABRN COc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccccc1C(C)C ZINC000224227361 570504610 /nfs/dbraw/zinc/50/46/10/570504610.db2.gz LXQRPCPAJYILIM-LJQANCHMSA-N 0 0 383.488 4.306 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl ZINC000224223595 570504645 /nfs/dbraw/zinc/50/46/45/570504645.db2.gz UTRNIVZSHFRCPS-FQEVSTJZSA-N 0 0 386.923 4.134 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC(C)(C)C)c(Cl)c2)cc1 ZINC000224237251 570504738 /nfs/dbraw/zinc/50/47/38/570504738.db2.gz UJYHEEXNAKPBPJ-UHFFFAOYSA-N 0 0 394.924 4.002 40 0 GIABRN COc1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1C ZINC000224261214 570506208 /nfs/dbraw/zinc/50/62/08/570506208.db2.gz NXBQXGWAARKKDP-UHFFFAOYSA-N 0 0 392.455 4.098 40 0 GIABRN COc1cccc(OCCNC(=O)c2ccccc2CCc2ccccc2)c1 ZINC000224280046 570507154 /nfs/dbraw/zinc/50/71/54/570507154.db2.gz GUFZNCCCAPPCOF-UHFFFAOYSA-N 0 0 375.468 4.289 40 0 GIABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CC ZINC000224285893 570507389 /nfs/dbraw/zinc/50/73/89/570507389.db2.gz HYYFZHJOVMBNBT-HXUWFJFHSA-N 0 0 386.923 4.216 40 0 GIABRN Cc1ccccc1OCCNC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000224336777 570509715 /nfs/dbraw/zinc/50/97/15/570509715.db2.gz JLZZPKNSOZZJIR-UHFFFAOYSA-N 0 0 386.495 4.367 40 0 GIABRN CCN(c1ccc(C(=O)Nc2ccc(C)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000224353820 570510473 /nfs/dbraw/zinc/51/04/73/570510473.db2.gz TYFZEGJRIBOFJA-UHFFFAOYSA-N 0 0 394.496 4.463 40 0 GIABRN COc1ccccc1CNC(=O)c1ccc(OC)c(COCc2ccccc2)c1 ZINC000224355689 570510491 /nfs/dbraw/zinc/51/04/91/570510491.db2.gz VYXWFGRKOWXMAI-UHFFFAOYSA-N 0 0 391.467 4.351 40 0 GIABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCC ZINC000224368548 570510870 /nfs/dbraw/zinc/51/08/70/570510870.db2.gz QKWNDNWCDIRZEG-OAQYLSRUSA-N 0 0 384.495 4.092 40 0 GIABRN Cc1ccc(OCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1C ZINC000007688091 570512657 /nfs/dbraw/zinc/51/26/57/570512657.db2.gz RHFNSGXMINVSPX-UHFFFAOYSA-N 0 0 385.514 4.465 40 0 GIABRN NC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000007699726 570513041 /nfs/dbraw/zinc/51/30/41/570513041.db2.gz DOHUSHCVXNMFLQ-UHFFFAOYSA-N 0 0 380.831 4.270 40 0 GIABRN COc1ccc(-c2noc(CN(C)C(=O)c3ccc(Cl)cc3Cl)n2)cc1 ZINC000007720407 570513322 /nfs/dbraw/zinc/51/33/22/570513322.db2.gz FASWOEMTBDLJPT-UHFFFAOYSA-N 0 0 392.242 4.324 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(Br)cc3)n2)cc1 ZINC000007720456 570513349 /nfs/dbraw/zinc/51/33/49/570513349.db2.gz YDMWSBQNISURIL-UHFFFAOYSA-N 0 0 386.249 4.080 40 0 GIABRN Brc1ccc2nc(-c3cccs3)c(NC[C@H]3CCCO3)n2c1 ZINC000000904316 570515068 /nfs/dbraw/zinc/51/50/68/570515068.db2.gz VGORKQFGGLTDML-GFCCVEGCSA-N 0 0 378.295 4.416 40 0 GIABRN Cc1ccc2cc(C)c3nnc(SCC(=O)N4[C@H](C)CCC[C@@H]4C)n3c2c1 ZINC000000903065 570515137 /nfs/dbraw/zinc/51/51/37/570515137.db2.gz TVYZPBMGDFTELO-IYBDPMFKSA-N 0 0 382.533 4.381 40 0 GIABRN Cc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224502877 570515509 /nfs/dbraw/zinc/51/55/09/570515509.db2.gz RLQDQWDRLJDMRW-NRFANRHFSA-N 0 0 394.559 4.160 40 0 GIABRN CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1cccc(Cl)c1 ZINC000224486675 570515630 /nfs/dbraw/zinc/51/56/30/570515630.db2.gz ZGFYMNZMKUGOMY-IBGZPJMESA-N 0 0 389.879 4.227 40 0 GIABRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)[nH]c2C)c1 ZINC000224521034 570516303 /nfs/dbraw/zinc/51/63/03/570516303.db2.gz ADLJUFXOIMSTDP-VQTJNVASSA-N 0 0 378.501 4.212 40 0 GIABRN CCOc1ccc(C(=O)N[C@H](C)COC)cc1COc1ccc(Cl)c(C)c1 ZINC000224549673 570517888 /nfs/dbraw/zinc/51/78/88/570517888.db2.gz XPVQBDMJYRRUCE-OAHLLOKOSA-N 0 0 391.895 4.391 40 0 GIABRN CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 ZINC000224615795 570520831 /nfs/dbraw/zinc/52/08/31/570520831.db2.gz DGAGAYNJTOTXCY-QGZVFWFLSA-N 0 0 386.923 4.215 40 0 GIABRN CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 ZINC000008097684 570522018 /nfs/dbraw/zinc/52/20/18/570522018.db2.gz MQCHVWCUACLOTK-LBPRGKRZSA-N 0 0 392.249 4.032 40 0 GIABRN Cc1ccc(N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)c(C)c1 ZINC000224646351 570522332 /nfs/dbraw/zinc/52/23/32/570522332.db2.gz ZPQQXVJYZBTBDT-UHFFFAOYSA-N 0 0 396.597 4.181 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 ZINC000224705257 570525996 /nfs/dbraw/zinc/52/59/96/570525996.db2.gz QNYJTVUHEDAFJO-LJQANCHMSA-N 0 0 398.572 4.339 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)CSCc3ccc(F)cc3)s2)cc1 ZINC000224738174 570527722 /nfs/dbraw/zinc/52/77/22/570527722.db2.gz OKWCYJKSZMWVQK-UHFFFAOYSA-N 0 0 389.477 4.225 40 0 GIABRN CCOc1ccc(-c2cnc(CCC(=O)NCCc3ccc(OC)cc3)o2)cc1 ZINC000224855999 570534643 /nfs/dbraw/zinc/53/46/43/570534643.db2.gz RDBKQOIVUTTZIN-UHFFFAOYSA-N 0 0 394.471 4.040 40 0 GIABRN COc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccc(F)cc3)o2)c(OC)c1 ZINC000224873578 570535529 /nfs/dbraw/zinc/53/55/29/570535529.db2.gz BBSSZSFZNYLEEP-AWEZNQCLSA-N 0 0 398.434 4.308 40 0 GIABRN CCN(C(=O)c1ccco1)c1nc(CC(=O)Nc2ccc(Cl)cc2)cs1 ZINC000000928563 570539376 /nfs/dbraw/zinc/53/93/76/570539376.db2.gz SJPSYAPJGABEKU-UHFFFAOYSA-N 0 0 389.864 4.237 40 0 aggregator GIABRN COc1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1C ZINC000224952885 570539525 /nfs/dbraw/zinc/53/95/25/570539525.db2.gz PENVAGYYISUHBC-UHFFFAOYSA-N 0 0 380.488 4.201 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2ccc(OC3CCCC3)cc2)cc1Cl ZINC000224970678 570540504 /nfs/dbraw/zinc/54/05/04/570540504.db2.gz UEKSACZDOZEFTH-UHFFFAOYSA-N 0 0 395.908 4.495 40 0 GIABRN Cc1cc(OCc2nnc(SCC(=O)c3ccccc3)n2C)ccc1Cl ZINC000000933807 570542967 /nfs/dbraw/zinc/54/29/67/570542967.db2.gz NMOAYQOKDBMSBO-UHFFFAOYSA-N 0 0 387.892 4.331 40 0 GIABRN CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCSc1ccccc1 ZINC000225041347 570544973 /nfs/dbraw/zinc/54/49/73/570544973.db2.gz JKIYKSZEWDNTNJ-IBGZPJMESA-N 0 0 398.572 4.155 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSc1ccccc1 ZINC000225072219 570546991 /nfs/dbraw/zinc/54/69/91/570546991.db2.gz SRAMTKOSIBMBHV-HXUWFJFHSA-N 0 0 384.545 4.112 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 ZINC000225092157 570547998 /nfs/dbraw/zinc/54/79/98/570547998.db2.gz VMNYAQIQJUFNDJ-JOCHJYFZSA-N 0 0 396.531 4.179 40 0 GIABRN O=C(CSc1nc2ccccc2n1Cc1ccccc1F)NCc1ccco1 ZINC000035314665 570551574 /nfs/dbraw/zinc/55/15/74/570551574.db2.gz PHARLAHVGYPTOG-UHFFFAOYSA-N 0 0 395.459 4.225 40 0 GIABRN COC(=O)c1ccccc1NC(=S)N1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000035313147 570551690 /nfs/dbraw/zinc/55/16/90/570551690.db2.gz QOBYZBLYLIOUKJ-UHFFFAOYSA-N 0 0 396.512 4.073 40 0 GIABRN COc1ccc([C@H]2c3cc4c(cc3O[C@@](C)(N3CCCC3)[C@H]2C)OCO4)cc1 ZINC000035361741 570551976 /nfs/dbraw/zinc/55/19/76/570551976.db2.gz HIXCOBNUFVJSMU-UQDCGMOVSA-N 0 0 381.472 4.396 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000225160489 570552739 /nfs/dbraw/zinc/55/27/39/570552739.db2.gz QSCBBWKVYSBCJM-HXUWFJFHSA-N 0 0 383.488 4.056 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1cc(C)cc(C)c1 ZINC000225200169 570555735 /nfs/dbraw/zinc/55/57/35/570555735.db2.gz ZIAQRUCXTJRRRX-LJQANCHMSA-N 0 0 398.522 4.319 40 0 GIABRN CCC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC1CCCCC1 ZINC000225226003 570557425 /nfs/dbraw/zinc/55/74/25/570557425.db2.gz BCGQRULWEQFXCD-CQSZACIVSA-N 0 0 395.341 4.025 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 ZINC000225247034 570558999 /nfs/dbraw/zinc/55/89/99/570558999.db2.gz XERHAZZQBAAMTL-MSOLQXFVSA-N 0 0 384.495 4.009 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000225255633 570559475 /nfs/dbraw/zinc/55/94/75/570559475.db2.gz BXPOCOSGGVKSQD-OAQYLSRUSA-N 0 0 384.495 4.092 40 0 GIABRN COC(=O)c1cccc(NC(=S)NCCSCc2ccccc2Cl)c1 ZINC000225296800 570562623 /nfs/dbraw/zinc/56/26/23/570562623.db2.gz MFJSREDZFHDICH-UHFFFAOYSA-N 0 0 394.949 4.346 40 0 GIABRN S=C(NCCSCc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 ZINC000225302276 570563364 /nfs/dbraw/zinc/56/33/64/570563364.db2.gz XIVFWKXJKGFLLQ-UHFFFAOYSA-N 0 0 380.922 4.289 40 0 GIABRN COc1ccccc1N1CCN(C(=O)CCc2c(Cl)cccc2Cl)CC1 ZINC000225345816 570565906 /nfs/dbraw/zinc/56/59/06/570565906.db2.gz MPVBRBBFGGRWST-UHFFFAOYSA-N 0 0 393.314 4.283 40 0 GIABRN Cc1cc(C)c(N2C(=O)C[C@@H](Nc3ccccc3Br)C2=O)c(C)c1 ZINC000036635536 570566578 /nfs/dbraw/zinc/56/65/78/570566578.db2.gz PNCUVKMYDPSMMS-MRXNPFEDSA-N 0 0 387.277 4.118 40 0 GIABRN Cc1cc(NC(=O)CSc2ccc(-c3nc4cc(C)c(C)cc4[nH]3)cn2)no1 ZINC000001329760 570567788 /nfs/dbraw/zinc/56/77/88/570567788.db2.gz DNXCTGVDGFRAPH-UHFFFAOYSA-N 0 0 393.472 4.269 40 0 aggregator GIABRN O=C(O[C@H](C(=O)NCc1cccs1)c1ccccc1Cl)c1ccco1 ZINC000001341803 570571063 /nfs/dbraw/zinc/57/10/63/570571063.db2.gz LPNAQQDGUDGMSF-INIZCTEOSA-N 0 0 375.833 4.209 40 0 GIABRN Cc1ccc2[nH]c(=O)c(CN(C(=O)NCc3ccccc3)C3CCCC3)cc2c1 ZINC000001353034 570573354 /nfs/dbraw/zinc/57/33/54/570573354.db2.gz PNXSVKDGHAXESP-UHFFFAOYSA-N 0 0 389.499 4.491 40 0 GIABRN O=C(Nc1ccccc1)Nc1cccn(Cc2ccccc2Br)c1=O ZINC000001354123 570573827 /nfs/dbraw/zinc/57/38/27/570573827.db2.gz WOBSRGCMXQSJBH-UHFFFAOYSA-N 0 0 398.260 4.303 40 0 GIABRN COc1ccc(-c2noc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)cc1 ZINC000001362705 570576766 /nfs/dbraw/zinc/57/67/66/570576766.db2.gz UMWGVLOTCIHTLO-IBGZPJMESA-N 0 0 391.471 4.084 40 0 GIABRN Cc1sc(NC(=O)C2CCC2)nc1-c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000001366406 570579335 /nfs/dbraw/zinc/57/93/35/570579335.db2.gz XGKLOCZGIHODNO-UHFFFAOYSA-N 0 0 381.501 4.156 40 0 GIABRN Cc1ccc2cc(CN(C(=O)C3CCC3)C3CCCCC3)c3nnnn3c2c1C ZINC000001367387 570579999 /nfs/dbraw/zinc/57/99/99/570579999.db2.gz SEZXTOZTEQOLGB-UHFFFAOYSA-N 0 0 391.519 4.356 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C3CCCC3)c2C)cc1 ZINC000038752544 570581426 /nfs/dbraw/zinc/58/14/26/570581426.db2.gz MDCWKAPWSKXSNC-UHFFFAOYSA-N 0 0 386.517 4.119 40 0 GIABRN O=C(NC1C[C@H]2CCC[C@@H](C1)N2C(=O)Nc1ccccc1)c1ccc(F)cc1 ZINC000001377940 570582457 /nfs/dbraw/zinc/58/24/57/570582457.db2.gz KDJBOSROELOFBJ-IHWFROFDSA-N 0 0 381.451 4.173 40 0 GIABRN Cc1cccc2cc(CN(C(=O)NCc3ccccc3)C3CCCC3)c(=O)[nH]c12 ZINC000001378158 570582484 /nfs/dbraw/zinc/58/24/84/570582484.db2.gz DLTUODPAVDCZCX-UHFFFAOYSA-N 0 0 389.499 4.491 40 0 GIABRN Cc1nc(NC(=O)c2cccc(Cl)c2)sc1C(=O)NCc1ccccc1 ZINC000001379077 570582719 /nfs/dbraw/zinc/58/27/19/570582719.db2.gz ZHLKHOSOEZHULD-UHFFFAOYSA-N 0 0 385.876 4.287 40 0 GIABRN C[C@H]1CCCN(C(=O)CSc2nc3ccccc3n2Cc2ccccc2)C1 ZINC000001381379 570583978 /nfs/dbraw/zinc/58/39/78/570583978.db2.gz FLJHREFWURDUQH-KRWDZBQOSA-N 0 0 379.529 4.435 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)s2)cc1 ZINC000225541413 570586103 /nfs/dbraw/zinc/58/61/03/570586103.db2.gz KBFKZWKWUJRURI-NSHDSACASA-N 0 0 389.864 4.273 40 0 GIABRN COc1ccc(OC)c([C@@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 ZINC000225564053 570588435 /nfs/dbraw/zinc/58/84/35/570588435.db2.gz AFPYRGNSYKUCIG-CQSZACIVSA-N 0 0 377.868 4.230 40 0 GIABRN COc1ccccc1[C@H](C)NC(=O)COc1ccc(Br)c(C)c1 ZINC000225573763 570589779 /nfs/dbraw/zinc/58/97/79/570589779.db2.gz MLZNWEJHVFKLBZ-ZDUSSCGKSA-N 0 0 378.266 4.022 40 0 GIABRN Cc1ccc(NC(=O)C[C@@H]2C(=O)N(C3CC3)c3nc4ccccc4n32)cc1Cl ZINC000039964130 570594605 /nfs/dbraw/zinc/59/46/05/570594605.db2.gz UETWOSUWYKWRHF-GOSISDBHSA-N 0 0 394.862 4.077 40 0 GIABRN CCN(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000039986761 570595539 /nfs/dbraw/zinc/59/55/39/570595539.db2.gz SCFHSZIUDPFKET-UHFFFAOYSA-N 0 0 396.512 4.106 40 0 GIABRN COc1ccc(NC(=S)N[C@@H](C)COc2ccccc2C)c2cccnc12 ZINC000225639023 570597380 /nfs/dbraw/zinc/59/73/80/570597380.db2.gz YVSVRPARRSGAFQ-HNNXBMFYSA-N 0 0 381.501 4.306 40 0 GIABRN CCOc1ccc(-c2noc(CN(C)C(=O)c3cc(C)c(C)cc3C)n2)cc1 ZINC000225653281 570598497 /nfs/dbraw/zinc/59/84/97/570598497.db2.gz LGQXRYJWTQCUIY-UHFFFAOYSA-N 0 0 379.460 4.333 40 0 GIABRN Cc1nn2c(ncc3c2ccn(Cc2ccc(C)cc2)c3=O)c1-c1ccccc1 ZINC000040387988 570599497 /nfs/dbraw/zinc/59/94/97/570599497.db2.gz GMSDUNCRPYAJEJ-UHFFFAOYSA-N 0 0 380.451 4.376 40 0 GIABRN Cc1ccc(C=Cc2ccnc3nc(N4CCc5ccccc5C4)[nH]c(=O)c23)cc1 ZINC000040388516 570599955 /nfs/dbraw/zinc/59/99/55/570599955.db2.gz YGQQSWSVBYWLCN-ZHACJKMWSA-N 0 0 394.478 4.360 40 0 GIABRN Cc1ccc(Cn2ccc3c(cnc4c(-c5ccc(F)cc5)cnn43)c2=O)cc1 ZINC000040396556 570600768 /nfs/dbraw/zinc/60/07/68/570600768.db2.gz IEECCDWPWDNOFT-UHFFFAOYSA-N 0 0 384.414 4.207 40 0 GIABRN Cc1nc2nc3ccn(CCC(C)C)c(=O)c3c(-c3cccc(Cl)c3)n2n1 ZINC000040398347 570602011 /nfs/dbraw/zinc/60/20/11/570602011.db2.gz QUJUYOXIBDQEBD-UHFFFAOYSA-N 0 0 381.867 4.114 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc2c(c1)OCO2 ZINC000225686190 570603304 /nfs/dbraw/zinc/60/33/04/570603304.db2.gz WQIODCXHVLDDOF-HNNXBMFYSA-N 0 0 386.473 4.013 40 0 GIABRN Cc1cccc(C(C)C)c1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000040640134 570604318 /nfs/dbraw/zinc/60/43/18/570604318.db2.gz GKDPPWOXUYTLHA-UHFFFAOYSA-N 0 0 386.517 4.301 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 ZINC000225699780 570605536 /nfs/dbraw/zinc/60/55/36/570605536.db2.gz HMYZSKGNRDIYHK-NRFANRHFSA-N 0 0 398.572 4.419 40 0 GIABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)NC(C)(C)Cc1ccccc1 ZINC000225702582 570606030 /nfs/dbraw/zinc/60/60/30/570606030.db2.gz MYUURYNKRLLETR-CQSZACIVSA-N 0 0 376.294 4.354 40 0 GIABRN COc1cccc(CNc2ncc(-c3cc(C)no3)c(-c3cccnc3C)n2)c1 ZINC000012088771 570607082 /nfs/dbraw/zinc/60/70/82/570607082.db2.gz YMLZHJIWIUWBIK-UHFFFAOYSA-N 0 0 387.443 4.431 40 0 GIABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)COc1cccc2c1CCCC2 ZINC000225720288 570608260 /nfs/dbraw/zinc/60/82/60/570608260.db2.gz MDOYMUFTKGLERD-UHFFFAOYSA-N 0 0 380.488 4.111 40 0 GIABRN O=C(Cn1ccc(=O)c2ccccc21)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000225719242 570608281 /nfs/dbraw/zinc/60/82/81/570608281.db2.gz WZSOIFRRGOWTGV-UHFFFAOYSA-N 0 0 380.753 4.312 40 0 GIABRN COc1ccc(-c2c(C)nn3c2nc(C)c(C)c3NCCCn2ccnc2)cc1 ZINC000012113364 570609219 /nfs/dbraw/zinc/60/92/19/570609219.db2.gz BIDOSXJGVWSWPU-UHFFFAOYSA-N 0 0 390.491 4.029 40 0 GIABRN C[C@@H](NC(=O)c1nccc2ccccc21)c1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000012114705 570610175 /nfs/dbraw/zinc/61/01/75/570610175.db2.gz FIFHZXPBVBVJDB-GFCCVEGCSA-N 0 0 377.835 4.164 40 0 GIABRN O=C(N1CCC(n2cnc3cccnc32)CC1)C1(c2ccc(Cl)cc2)CCC1 ZINC000012114691 570610198 /nfs/dbraw/zinc/61/01/98/570610198.db2.gz NBWCXLYJPZNSON-UHFFFAOYSA-N 0 0 394.906 4.370 40 0 GIABRN COc1ccc(C)cc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000225731752 570610707 /nfs/dbraw/zinc/61/07/07/570610707.db2.gz KZHBWOXRXUNVSQ-RGEXLXHISA-N 0 0 392.480 4.475 40 0 GIABRN Cc1cccnc1C1(O)CCN(C(=O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000012117332 570612173 /nfs/dbraw/zinc/61/21/73/570612173.db2.gz RLHBWHCQMASVHF-UHFFFAOYSA-N 0 0 399.494 4.008 40 0 GIABRN O=C(Cc1ccc(Cl)cc1)N1CCC[C@H](c2ccnc(-c3cccnc3)n2)C1 ZINC000012119345 570612517 /nfs/dbraw/zinc/61/25/17/570612517.db2.gz FBPARXLDSAWYOO-SFHVURJKSA-N 0 0 392.890 4.141 40 0 GIABRN CCc1cc(C(=O)N2CCC[C@H](c3nc4ccccn4c3NC(C)(C)C)C2)no1 ZINC000012128145 570613022 /nfs/dbraw/zinc/61/30/22/570613022.db2.gz JGCOWVZTNUGQBB-HNNXBMFYSA-N 0 0 395.507 4.115 40 0 GIABRN S=C(NCCOc1ccccc1Cl)Nc1ccc(Br)cc1 ZINC000225779455 570616275 /nfs/dbraw/zinc/61/62/75/570616275.db2.gz QHQLSNINEJPWAI-UHFFFAOYSA-N 0 0 385.714 4.468 40 0 GIABRN O=C(Nc1ccc(Br)cc1)c1snnc1-c1ccc(F)cc1 ZINC000225778354 570616311 /nfs/dbraw/zinc/61/63/11/570616311.db2.gz LAFAYYGBQDSENN-UHFFFAOYSA-N 0 0 378.226 4.359 40 0 GIABRN COc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(F)cc32)cc1OC ZINC000004129888 570616666 /nfs/dbraw/zinc/61/66/66/570616666.db2.gz CVALJEOQRIBRQS-UHFFFAOYSA-N 0 0 393.393 4.416 40 0 GIABRN COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(C)c2C)cc1 ZINC000225808877 570619684 /nfs/dbraw/zinc/61/96/84/570619684.db2.gz RAAKVFNTKAVUFI-IBGZPJMESA-N 0 0 391.533 4.386 40 0 GIABRN C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)C4CCCCC4)C3)cc2N1 ZINC000012183619 570619969 /nfs/dbraw/zinc/61/99/69/570619969.db2.gz VGAWASMRWWIRJT-UKPHBRMFSA-N 0 0 398.473 4.477 40 0 GIABRN CC(C)C(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000012183350 570620026 /nfs/dbraw/zinc/62/00/26/570620026.db2.gz AYHAEPGWFHROQG-CRAIPNDOSA-N 0 0 393.503 4.147 40 0 GIABRN c1csc(-c2nc(NC[C@H]3Cc4ccccc4O3)ncc2-c2cnccn2)c1 ZINC000012184753 570620474 /nfs/dbraw/zinc/62/04/74/570620474.db2.gz DRGKOOQQFYWCCB-OAHLLOKOSA-N 0 0 387.468 4.078 40 0 GIABRN Cc1ccc(OC[C@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)cc1C ZINC000225814870 570620703 /nfs/dbraw/zinc/62/07/03/570620703.db2.gz HOYNDYOFTRHNHS-HNNXBMFYSA-N 0 0 381.394 4.285 40 0 GIABRN Cc1cccc(-c2noc(CCC(=O)Nc3ccccc3Br)n2)c1 ZINC000225813545 570620763 /nfs/dbraw/zinc/62/07/63/570620763.db2.gz HPCHWMMLROFDMR-UHFFFAOYSA-N 0 0 386.249 4.379 40 0 GIABRN Cc1cccc(-c2noc(CNC(=S)Nc3cccc(OC(C)C)c3)n2)c1 ZINC000225815311 570621078 /nfs/dbraw/zinc/62/10/78/570621078.db2.gz ICJRVOVTUXSWGV-UHFFFAOYSA-N 0 0 382.489 4.319 40 0 GIABRN CCOc1ccccc1NC(=S)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000225832668 570623454 /nfs/dbraw/zinc/62/34/54/570623454.db2.gz PLKOPBPOFOLFSS-UHFFFAOYSA-N 0 0 388.880 4.275 40 0 GIABRN Cc1c2cccc(Cl)c2[nH]c1C(=O)NCCc1nc(-c2ccccc2)no1 ZINC000012198343 570624156 /nfs/dbraw/zinc/62/41/56/570624156.db2.gz OAIBLHHJQHVAJN-UHFFFAOYSA-N 0 0 380.835 4.152 40 0 GIABRN CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 ZINC000225842097 570624673 /nfs/dbraw/zinc/62/46/73/570624673.db2.gz PMRFGSPNQYKRQO-NRFANRHFSA-N 0 0 379.497 4.432 40 0 GIABRN Cc1[nH]c2c(cc(C)cc2CNC(=O)c2nn3c(nc(C)cc3C)c2Cl)c1C ZINC000012203572 570625574 /nfs/dbraw/zinc/62/55/74/570625574.db2.gz OOQJHGKRHDYIMN-UHFFFAOYSA-N 0 0 395.894 4.336 40 0 GIABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccc2C)cc1 ZINC000225850060 570626063 /nfs/dbraw/zinc/62/60/63/570626063.db2.gz UTWPZVIIYHOIQD-ZHZULCJRSA-N 0 0 392.480 4.475 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 ZINC000225860274 570627776 /nfs/dbraw/zinc/62/77/76/570627776.db2.gz VKIJAWZREZSRSC-INIZCTEOSA-N 0 0 381.472 4.457 40 0 GIABRN Cc1nn(C)c(C)c1NC(=O)CCn1c(-c2ccc(F)cc2)cc2cccnc21 ZINC000012222740 570628663 /nfs/dbraw/zinc/62/86/63/570628663.db2.gz YCAAUMLNNNVRAA-UHFFFAOYSA-N 0 0 391.450 4.222 40 0 GIABRN COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c2cccnc12 ZINC000225875880 570629587 /nfs/dbraw/zinc/62/95/87/570629587.db2.gz WPVUTFJCAIQOQR-UHFFFAOYSA-N 0 0 380.419 4.069 40 0 GIABRN CCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc2c1CCCC2 ZINC000225882686 570629964 /nfs/dbraw/zinc/62/99/64/570629964.db2.gz MLDSLPDAZGSVKO-INIZCTEOSA-N 0 0 380.488 4.111 40 0 GIABRN O=C(COc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1)Nc1ccccc1 ZINC000004782580 570633041 /nfs/dbraw/zinc/63/30/41/570633041.db2.gz DIVJWARIQLRCFB-QNGOZBTKSA-N 0 0 398.418 4.049 40 0 GIABRN Cc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NCc2ccc(Cl)cc2)n1 ZINC000225935398 570634698 /nfs/dbraw/zinc/63/46/98/570634698.db2.gz CLAUBIPPONVXDV-CYBMUJFWSA-N 0 0 389.956 4.161 40 0 GIABRN CCc1nnc(NC(=O)c2sc3nc4ccc(CC)cc4cc3c2N)s1 ZINC000004848755 570634721 /nfs/dbraw/zinc/63/47/21/570634721.db2.gz XWKGNOUKUBVIEF-UHFFFAOYSA-N 0 0 383.502 4.260 40 0 GIABRN COc1ccc2cc3c(N)c(C(=O)N4CCc5ccccc54)sc3nc2c1 ZINC000004848797 570634818 /nfs/dbraw/zinc/63/48/18/570634818.db2.gz JNIDBOACYIBRKH-UHFFFAOYSA-N 0 0 375.453 4.243 40 0 GIABRN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(Cn3ccnc3)cc1)CC(C)(C)O2 ZINC000044855281 570636737 /nfs/dbraw/zinc/63/67/37/570636737.db2.gz ARNDCCGZJZGBHI-HXUWFJFHSA-N 0 0 375.472 4.272 40 0 GIABRN Cc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2cccc3ccccc32)CC1 ZINC000004895379 570637187 /nfs/dbraw/zinc/63/71/87/570637187.db2.gz BRJACRFQURGDJH-UHFFFAOYSA-N 0 0 399.498 4.169 40 0 GIABRN CC[C@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1-c1cccc(C)c1 ZINC000004852074 570637817 /nfs/dbraw/zinc/63/78/17/570637817.db2.gz KFOMJTGDTBTQNZ-AWEZNQCLSA-N 0 0 384.505 4.151 40 0 GIABRN Cc1cc(N2C[C@H](C)C[C@H](C)C2)nc(NC(=S)NC2CCCCCC2)n1 ZINC000226010938 570638518 /nfs/dbraw/zinc/63/85/18/570638518.db2.gz RYBMYHGLMXHLTF-GASCZTMLSA-N 0 0 375.586 4.277 40 0 GIABRN S=C(Nc1nc(Oc2ccccc2)cc(N2CCCCCC2)n1)NC1CC1 ZINC000226004107 570638530 /nfs/dbraw/zinc/63/85/30/570638530.db2.gz RKUCIUHWUCETFM-UHFFFAOYSA-N 0 0 383.521 4.098 40 0 GIABRN CCc1ccccc1NC(=S)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000004857562 570638791 /nfs/dbraw/zinc/63/87/91/570638791.db2.gz ANGKSNGMFJCMCV-UHFFFAOYSA-N 0 0 381.545 4.149 40 0 GIABRN O=C(NC1C[C@H]2CCC[C@@H](C1)N2C(=S)Nc1ccccc1)c1ccc(F)cc1 ZINC000004857336 570638905 /nfs/dbraw/zinc/63/89/05/570638905.db2.gz LPDJMVFPJDTLRJ-IHWFROFDSA-N 0 0 397.519 4.338 40 0 GIABRN CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(OC)cc1 ZINC000044886546 570639108 /nfs/dbraw/zinc/63/91/08/570639108.db2.gz VNSUIBZTYMHUIQ-HNNXBMFYSA-N 0 0 386.517 4.344 40 0 GIABRN O=C(Nc1ccc(Br)cc1)c1cc2cccc(Cl)c2oc1=O ZINC000226039498 570639617 /nfs/dbraw/zinc/63/96/17/570639617.db2.gz IRLFWMUJJKMIJH-UHFFFAOYSA-N 0 0 378.609 4.461 40 0 GIABRN CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccccc1-n1ccnc1C ZINC000044900715 570640360 /nfs/dbraw/zinc/64/03/60/570640360.db2.gz ZTSQWURLQSMQTL-NRFANRHFSA-N 0 0 377.488 4.271 40 0 GIABRN Cc1ccc2cc(CN(C(=O)c3ccco3)C3CCCC3)c3nnnn3c2c1C ZINC000004879654 570641611 /nfs/dbraw/zinc/64/16/11/570641611.db2.gz KMCHMGCGCSHWDH-UHFFFAOYSA-N 0 0 389.459 4.072 40 0 GIABRN COCCN(C(=O)c1cccc(Cl)c1)c1nnc(-c2ccc(F)cc2)s1 ZINC000004880355 570642278 /nfs/dbraw/zinc/64/22/78/570642278.db2.gz FAWISSWMCSQWNB-UHFFFAOYSA-N 0 0 391.855 4.291 40 0 GIABRN Cc1cccc(NC(=O)N2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccc(F)cc2)C3)c1 ZINC000004888164 570642921 /nfs/dbraw/zinc/64/29/21/570642921.db2.gz XHMKIALTBFFVLL-SEJPIABJSA-N 0 0 395.478 4.482 40 0 GIABRN Cc1ccc(C(=O)NC2CCN(C(=S)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000004888640 570643200 /nfs/dbraw/zinc/64/32/00/570643200.db2.gz YPKHWSKCOXSSQU-UHFFFAOYSA-N 0 0 387.936 4.240 40 0 GIABRN O=C(CN1CCCCC1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000012326915 570643238 /nfs/dbraw/zinc/64/32/38/570643238.db2.gz JLUHLCMGKWKIKJ-UHFFFAOYSA-N 0 0 380.463 4.087 40 0 GIABRN O=C(NC1CCCCC1)[C@@]1(/C=C/c2ccccc2)CC(=O)N1c1cccc(F)c1 ZINC000004889951 570644042 /nfs/dbraw/zinc/64/40/42/570644042.db2.gz BNGNXXQFKIGLQA-DKUDOZJNSA-N 0 0 392.474 4.464 40 0 GIABRN O=C(NCc1ccco1)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000004952968 570646566 /nfs/dbraw/zinc/64/65/66/570646566.db2.gz HHXUGBROHTWTSO-GXTWGEPZSA-N 0 0 396.394 4.128 40 0 GIABRN Cc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000004953343 570646571 /nfs/dbraw/zinc/64/65/71/570646571.db2.gz BATUCIUOXOYVGZ-GOSISDBHSA-N 0 0 385.920 4.388 40 0 GIABRN CCn1c(CNC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1SC ZINC000005001702 570651736 /nfs/dbraw/zinc/65/17/36/570651736.db2.gz MQDYVYANYIGKMR-UHFFFAOYSA-N 0 0 393.822 4.014 40 0 GIABRN CCOc1ccccc1NC(=O)N[C@H](C)c1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000005001892 570652181 /nfs/dbraw/zinc/65/21/81/570652181.db2.gz VXCMCBATYLROQK-GFCCVEGCSA-N 0 0 385.855 4.407 40 0 GIABRN Cc1cc(C)cc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 ZINC000047156144 570653320 /nfs/dbraw/zinc/65/33/20/570653320.db2.gz NXLVSKDAMCHXAD-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN O=C(Nc1cccc2c1CCCC2)[C@@H]1CCCN(C(=O)NCc2ccccc2)C1 ZINC000004965708 570653697 /nfs/dbraw/zinc/65/36/97/570653697.db2.gz HSJPYMSZMOEAQO-HXUWFJFHSA-N 0 0 391.515 4.126 40 0 GIABRN Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)Nc1ccc(F)cc1 ZINC000059109433 570653789 /nfs/dbraw/zinc/65/37/89/570653789.db2.gz UXBPHMXXFZPZAK-UHFFFAOYSA-N 0 0 378.325 4.473 40 0 GIABRN CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccccc1OC ZINC000004977127 570655892 /nfs/dbraw/zinc/65/58/92/570655892.db2.gz BXKPZVNPBXFOFU-UHFFFAOYSA-N 0 0 396.516 4.321 40 0 GIABRN CCCCc1ccc(N2C[C@H](C(=O)Nc3ccc(OCC)cc3)CC2=O)cc1 ZINC000059488488 570658202 /nfs/dbraw/zinc/65/82/02/570658202.db2.gz IGUUCCBHRFJFDE-GOSISDBHSA-N 0 0 380.488 4.420 40 0 GIABRN C[C@H]1[C@H](NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)CCC[C@@H]1C ZINC000006587848 570670896 /nfs/dbraw/zinc/67/08/96/570670896.db2.gz ANJPOAVGPAPQDL-NJNPRVFISA-N 0 0 379.500 4.380 40 0 GIABRN COc1ccc([C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)cc1 ZINC000006679355 570673590 /nfs/dbraw/zinc/67/35/90/570673590.db2.gz XKAJOWUWFYBNEJ-IFXJQAMLSA-N 0 0 379.485 4.353 40 0 GIABRN O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000096583546 570674011 /nfs/dbraw/zinc/67/40/11/570674011.db2.gz JBLDXQHFKXREAV-OVCLIPMQSA-N 0 0 390.823 4.154 40 0 GIABRN CC1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2Cl)CC1 ZINC000054363462 570677698 /nfs/dbraw/zinc/67/76/98/570677698.db2.gz FBXHBKAXDXYTEA-UHFFFAOYSA-N 0 0 387.126 4.177 40 0 GIABRN C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)cc2Cl)C1 ZINC000054363466 570677716 /nfs/dbraw/zinc/67/77/16/570677716.db2.gz GBDIKCXJUKWTTD-QMMMGPOBSA-N 0 0 387.126 4.177 40 0 GIABRN CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000409103685 570698529 /nfs/dbraw/zinc/69/85/29/570698529.db2.gz BBZJPHTXSARPFH-UHFFFAOYSA-N 0 0 380.517 4.486 40 0 GIABRN COCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000057209696 570701231 /nfs/dbraw/zinc/70/12/31/570701231.db2.gz DRJGSTXSPBUFLO-UHFFFAOYSA-N 0 0 389.879 4.052 40 0 GIABRN Cc1[nH]c2ccccc2c1C(=O)CN1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000057823354 570704522 /nfs/dbraw/zinc/70/45/22/570704522.db2.gz KNQNTCYDUGIGPU-UHFFFAOYSA-N 0 0 388.467 4.159 40 0 GIABRN Cc1cc(Br)c(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1C ZINC000000980872 570711264 /nfs/dbraw/zinc/71/12/64/570711264.db2.gz PTGLQAVWZZDGGN-OAHLLOKOSA-N 0 0 397.313 4.404 40 0 GIABRN CCCC[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102735862 570720722 /nfs/dbraw/zinc/72/07/22/570720722.db2.gz MMPNJVSWEOJWGD-IPMKNSEASA-N 0 0 384.863 4.209 40 0 GIABRN COC(=O)c1c2c(sc1NC(=O)c1ccc(C(C)(C)C)cc1)CN(C)CC2 ZINC000004223479 570726884 /nfs/dbraw/zinc/72/68/84/570726884.db2.gz IRTYBVJTUIALRA-UHFFFAOYSA-N 0 0 386.517 4.072 40 0 GIABRN CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(F)cc3)o2)cc1 ZINC000005027509 570730660 /nfs/dbraw/zinc/73/06/60/570730660.db2.gz ILHMJRZXAJCKFS-UHFFFAOYSA-N 0 0 387.436 4.081 40 0 GIABRN CCCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 ZINC000005735394 570734563 /nfs/dbraw/zinc/73/45/63/570734563.db2.gz RGXIILWWHSDCMN-UHFFFAOYSA-N 0 0 380.517 4.251 40 0 GIABRN CCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC)c1ccccc1 ZINC000005853551 570736237 /nfs/dbraw/zinc/73/62/37/570736237.db2.gz JHZGBPYTCKOYJO-UHFFFAOYSA-N 0 0 396.516 4.119 40 0 GIABRN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000059132859 570737005 /nfs/dbraw/zinc/73/70/05/570737005.db2.gz ZTYLNXLXDNFHNL-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN C[C@H]1CCCCN1C(=O)Cn1cc(C(=O)COc2ccccc2)c2ccccc21 ZINC000006043857 570737590 /nfs/dbraw/zinc/73/75/90/570737590.db2.gz DGGUKAZLCHCVLT-SFHVURJKSA-N 0 0 390.483 4.304 40 0 GIABRN CCOC(=O)Cc1csc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)n1 ZINC000000956417 570737924 /nfs/dbraw/zinc/73/79/24/570737924.db2.gz WVZIUCIDWDJVJE-GQCTYLIASA-N 0 0 385.272 4.207 40 0 GIABRN CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000006169088 570738468 /nfs/dbraw/zinc/73/84/68/570738468.db2.gz TVRQHZDKAHEPFM-UHFFFAOYSA-N 0 0 396.516 4.225 40 0 GIABRN COc1cc(C=O)ccc1OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000006128294 570738598 /nfs/dbraw/zinc/73/85/98/570738598.db2.gz VLHPGYKYGOYMGZ-UHFFFAOYSA-N 0 0 388.634 4.485 40 0 GIABRN Cc1ccc(-c2ccc(OCC(=O)Nc3nnc([C@H]4CCCO4)s3)cc2)cc1 ZINC000000958639 570739158 /nfs/dbraw/zinc/73/91/58/570739158.db2.gz PNCZAHAIABKDJX-GOSISDBHSA-N 0 0 395.484 4.383 40 0 GIABRN Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C)COc3ccccc3C)cc2)n1 ZINC000061192743 570742230 /nfs/dbraw/zinc/74/22/30/570742230.db2.gz YZSLWQRUAIYQDN-GOSISDBHSA-N 0 0 377.488 4.054 40 0 GIABRN CCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)c(C)c1 ZINC000006629618 570747802 /nfs/dbraw/zinc/74/78/02/570747802.db2.gz YUMBCEFYSBFRBI-UHFFFAOYSA-N 0 0 380.517 4.169 40 0 GIABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cccnc2Cl)cc1 ZINC000006630475 570748611 /nfs/dbraw/zinc/74/86/11/570748611.db2.gz SEIOCSOZNBBFNF-UHFFFAOYSA-N 0 0 395.846 4.154 40 0 GIABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(O[C@@H](C)CC)cc2)cc1 ZINC000006713311 570750112 /nfs/dbraw/zinc/75/01/12/570750112.db2.gz LFDJWRDBWNOVEA-AWEZNQCLSA-N 0 0 399.516 4.339 40 0 GIABRN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccccc2F)n1C ZINC000006825145 570751845 /nfs/dbraw/zinc/75/18/45/570751845.db2.gz XYNJILBYGPZDMU-UHFFFAOYSA-N 0 0 390.871 4.314 40 0 GIABRN Cc1ccccc1OCC(=O)NC(=S)Nc1nc2ccc(Cl)cc2s1 ZINC000006861188 570752179 /nfs/dbraw/zinc/75/21/79/570752179.db2.gz XYJIBVICGAWMGK-UHFFFAOYSA-N 0 0 391.905 4.150 40 0 GIABRN CCCOc1ccc(N2C[C@H](C(=O)Nc3cccc(OC(C)C)c3)CC2=O)cc1 ZINC000006880947 570752763 /nfs/dbraw/zinc/75/27/63/570752763.db2.gz BWNZIEFGPJZXJM-QGZVFWFLSA-N 0 0 396.487 4.254 40 0 GIABRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(C)C)cc2)C1=O ZINC000007070914 570756552 /nfs/dbraw/zinc/75/65/52/570756552.db2.gz QELVAZTWSDQVNU-AYCSXLNKSA-N 0 0 391.489 4.099 40 0 GIABRN COC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000007128711 570756966 /nfs/dbraw/zinc/75/69/66/570756966.db2.gz ZUEVNCGOGFCXFX-UHFFFAOYSA-N 0 0 380.425 4.039 40 0 GIABRN CCCCn1nnnc1NCc1cc(Cl)ccc1OCc1ccccc1F ZINC000007262139 570757251 /nfs/dbraw/zinc/75/72/51/570757251.db2.gz SUGRMDNRWLCZQU-UHFFFAOYSA-N 0 0 389.862 4.457 40 0 GIABRN COc1ccc(CCCNC(=O)COc2ccc(C(C)(C)C)cc2)cc1OC ZINC000065086619 570757676 /nfs/dbraw/zinc/75/76/76/570757676.db2.gz YNEJHGUZKRKNAW-UHFFFAOYSA-N 0 0 385.504 4.129 40 0 GIABRN Cc1cc(C(=O)NC2CCCC2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000065223601 570758244 /nfs/dbraw/zinc/75/82/44/570758244.db2.gz NTYURTBWQLTJNM-UHFFFAOYSA-N 0 0 392.908 4.122 40 0 GIABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2)CC1 ZINC000007388209 570758642 /nfs/dbraw/zinc/75/86/42/570758642.db2.gz OFIDQDYCFXMXFT-MDWZMJQESA-N 0 0 391.515 4.033 40 0 GIABRN C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000007504802 570760062 /nfs/dbraw/zinc/76/00/62/570760062.db2.gz YCKZACNLUHJDOI-AWEZNQCLSA-N 0 0 379.287 4.110 40 0 GIABRN COc1ccc(-c2csc(NC(=O)COc3cccc(C)c3C)n2)cc1OC ZINC000007593678 570760365 /nfs/dbraw/zinc/76/03/65/570760365.db2.gz NKHXXUBUYKKAEC-UHFFFAOYSA-N 0 0 398.484 4.462 40 0 GIABRN CCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1C ZINC000013582296 570760470 /nfs/dbraw/zinc/76/04/70/570760470.db2.gz UMUALEIAXYBBCE-UHFFFAOYSA-N 0 0 381.213 4.251 40 0 GIABRN COc1cc(CNn2c(C)n[nH]c2=S)ccc1OCc1ccccc1Cl ZINC000007602670 570761493 /nfs/dbraw/zinc/76/14/93/570761493.db2.gz BPDBAWMFIFUMMD-UHFFFAOYSA-N 0 0 390.896 4.234 40 0 GIABRN CCCc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1 ZINC000007605432 570761501 /nfs/dbraw/zinc/76/15/01/570761501.db2.gz BBIKZOBHTKALAH-UHFFFAOYSA-N 0 0 379.791 4.425 40 0 GIABRN CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2CC)cc1 ZINC000007639428 570762052 /nfs/dbraw/zinc/76/20/52/570762052.db2.gz LPAQMBUCFXUGCN-UHFFFAOYSA-N 0 0 396.516 4.403 40 0 GIABRN Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3C(F)(F)F)CC2=O)c1C ZINC000007882413 570762842 /nfs/dbraw/zinc/76/28/42/570762842.db2.gz LETBVSIDDQNIDE-CQSZACIVSA-N 0 0 376.378 4.314 40 0 GIABRN COc1ccccc1N1CCN(C(=O)CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000007910185 570763293 /nfs/dbraw/zinc/76/32/93/570763293.db2.gz HSPLXVGYDJVYAH-UHFFFAOYSA-N 0 0 380.532 4.274 40 0 GIABRN Cc1ccc(-c2cccc(N[C@H](c3cnn(C4CCCC4)c3)[C@H](O)[C@H](C)O)c2)o1 ZINC000257228684 570764731 /nfs/dbraw/zinc/76/47/31/570764731.db2.gz FUVRMZREYDVHTP-PBNUPURSSA-N 0 0 395.503 4.462 40 0 GIABRN CCOc1c(Cl)cc(CNn2c(=S)[nH]nc2-c2ccccc2)cc1OC ZINC000008253400 570766137 /nfs/dbraw/zinc/76/61/37/570766137.db2.gz XRKBERCKGRJWNF-UHFFFAOYSA-N 0 0 390.896 4.412 40 0 GIABRN COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc2c1OCO2 ZINC000008111448 570766998 /nfs/dbraw/zinc/76/69/98/570766998.db2.gz VOLJHWCSYPTHGD-VIZOYTHASA-N 0 0 389.816 4.318 40 0 GIABRN CCOc1cccc(CNn2c(CC)n[nH]c2=S)c1OCc1ccccc1 ZINC000008339386 570768081 /nfs/dbraw/zinc/76/80/81/570768081.db2.gz IGAOTPFRIMYDBB-UHFFFAOYSA-N 0 0 384.505 4.224 40 0 GIABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(I)cc2)cc1C ZINC000008497670 570769505 /nfs/dbraw/zinc/76/95/05/570769505.db2.gz AICCOFHHLTYMEZ-CYBMUJFWSA-N 0 0 395.240 4.314 40 0 GIABRN O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCCc2ccccc21 ZINC000013668139 570770071 /nfs/dbraw/zinc/77/00/71/570770071.db2.gz XUWCXRCXBJXPOY-UHFFFAOYSA-N 0 0 392.480 4.080 40 0 GIABRN CCOC(=O)c1ccc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000013677242 570772081 /nfs/dbraw/zinc/77/20/81/570772081.db2.gz VHQAOOPSABYSBK-UHFFFAOYSA-N 0 0 388.272 4.112 40 0 GIABRN CCOc1cc(C=O)ccc1OCCCSc1nnc(C(C)(C)C)n1CC ZINC000008731787 570772179 /nfs/dbraw/zinc/77/21/79/570772179.db2.gz QYPOTDWNWXZJGD-UHFFFAOYSA-N 0 0 391.537 4.368 40 0 GIABRN CCCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 ZINC000008810451 570772521 /nfs/dbraw/zinc/77/25/21/570772521.db2.gz WRXFBHJLWXHKBQ-UHFFFAOYSA-N 0 0 398.887 4.200 40 0 GIABRN Cc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000013680090 570773173 /nfs/dbraw/zinc/77/31/73/570773173.db2.gz BVOMRXDDJJSSHY-UHFFFAOYSA-N 0 0 386.498 4.134 40 0 GIABRN COc1ccccc1NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000009063664 570773941 /nfs/dbraw/zinc/77/39/41/570773941.db2.gz OUFAICQCOCHVTH-UHFFFAOYSA-N 0 0 376.859 4.338 40 0 GIABRN Cc1ccc([C@@H]2N(c3ccccc3)C(=O)C[C@H]3C(=O)Oc4ccccc4N32)cc1 ZINC000009264827 570774334 /nfs/dbraw/zinc/77/43/34/570774334.db2.gz BDFTVPOSNKHBRD-NZQKXSOJSA-N 0 0 384.435 4.225 40 0 GIABRN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(I)cc2)c1 ZINC000013710280 570777596 /nfs/dbraw/zinc/77/75/96/570777596.db2.gz RLWHCGFAEHHALO-ZDUSSCGKSA-N 0 0 395.240 4.314 40 0 GIABRN CCc1ccccc1NC(=O)[C@@H](CC)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711962 570777809 /nfs/dbraw/zinc/77/78/09/570777809.db2.gz ROJYDFRZRIEYES-GOSISDBHSA-N 0 0 394.924 4.086 40 0 GIABRN CC[C@@H](C(=O)Nc1ccccc1Cl)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716120 570779059 /nfs/dbraw/zinc/77/90/59/570779059.db2.gz HORCVMBFIRBDML-SFHVURJKSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@H](C(=O)Nc1ccc(C)cc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716091 570779218 /nfs/dbraw/zinc/77/92/18/570779218.db2.gz ILSPXFROSYIMEG-HXUWFJFHSA-N 0 0 388.533 4.104 40 0 GIABRN CC(C)Oc1cccc(CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000010543856 570792026 /nfs/dbraw/zinc/79/20/26/570792026.db2.gz OBHFMMLROYMZEX-UHFFFAOYSA-N 0 0 388.316 4.400 40 0 GIABRN CCOc1ccc([C@@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1OCC ZINC000010543958 570792116 /nfs/dbraw/zinc/79/21/16/570792116.db2.gz KIXDMJFQXLIEPX-QGZVFWFLSA-N 0 0 391.533 4.449 40 0 GIABRN CCN(CC)C(=O)CSc1nc(COc2ccccc2)nc2ccccc21 ZINC000012481207 570806708 /nfs/dbraw/zinc/80/67/08/570806708.db2.gz RKJSPXZUKNCCTH-UHFFFAOYSA-N 0 0 381.501 4.169 40 0 GIABRN COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)cc1OC ZINC000059635817 570843494 /nfs/dbraw/zinc/84/34/94/570843494.db2.gz SNUBHAJWZFBQHA-JUQVYJSESA-N 0 0 375.515 4.106 40 0 GIABRN COc1cccc(C2(NC(=O)c3cccc(N4CCCC4=O)c3)CCCC2)c1 ZINC000013996064 570869482 /nfs/dbraw/zinc/86/94/82/570869482.db2.gz YICRIRADRKSETA-UHFFFAOYSA-N 0 0 378.472 4.021 40 0 GIABRN COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)COc1ccccc1C ZINC000003470564 570871148 /nfs/dbraw/zinc/87/11/48/570871148.db2.gz GKMWHNILWQXBIA-UHFFFAOYSA-N 0 0 390.439 4.273 40 0 GIABRN CCCOc1ccccc1[C@H]1CC(=O)Nc2c1cnn2-c1ccc(OC)cc1 ZINC000014000923 570874746 /nfs/dbraw/zinc/87/47/46/570874746.db2.gz CWXZMEQLKGDMDT-GOSISDBHSA-N 0 0 377.444 4.144 40 0 GIABRN CCOc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2)n1CC ZINC000014085452 570875526 /nfs/dbraw/zinc/87/55/26/570875526.db2.gz VEQLSXQKDFTOIQ-UHFFFAOYSA-N 0 0 396.516 4.403 40 0 GIABRN CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000014121452 570876687 /nfs/dbraw/zinc/87/66/87/570876687.db2.gz CIRIHNBYMHIPJZ-UHFFFAOYSA-N 0 0 396.516 4.225 40 0 GIABRN CCOC(=O)Nc1sc2c(c1C(=O)OCC)CCN(Cc1ccccc1)C2 ZINC000014162682 570878500 /nfs/dbraw/zinc/87/85/00/570878500.db2.gz MODBGFGDRKXRAX-UHFFFAOYSA-N 0 0 388.489 4.052 40 0 GIABRN C[C@H]1CC2(CCCCC2)N2c3c(cccc31)[C@]1(Nc3ccccc3C(=O)N1)C2=O ZINC000014162461 570878656 /nfs/dbraw/zinc/87/86/56/570878656.db2.gz FZDQDTFUJITGAT-IZHWHUGBSA-N 0 0 387.483 4.252 40 0 GIABRN Cc1cc(C(=O)N2CCC[C@@H](c3ncncc3-c3ccncc3)C2)c(C2CC2)o1 ZINC000072334707 570879367 /nfs/dbraw/zinc/87/93/67/570879367.db2.gz SXEFCNWBXGGMFS-GOSISDBHSA-N 0 0 388.471 4.337 40 0 GIABRN CCC(CC)C(=O)N1CCC[C@@H](c2cc(C(F)(F)F)n3nc(C)cc3n2)C1 ZINC000072340903 570880753 /nfs/dbraw/zinc/88/07/53/570880753.db2.gz CKLWALAAZAVPGS-CQSZACIVSA-N 0 0 382.430 4.199 40 0 GIABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCSc1ccc(Cl)cc1 ZINC000014400136 570884927 /nfs/dbraw/zinc/88/49/27/570884927.db2.gz BSFSZPNOCDSKHC-SFHVURJKSA-N 0 0 379.909 4.415 40 0 GIABRN CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)CC2CCCCC2)c2ccccn2)CC1 ZINC000257205338 570887822 /nfs/dbraw/zinc/88/78/22/570887822.db2.gz AYOYDJFIOIRELM-TXTKFYIRSA-N 0 0 385.552 4.152 40 0 GIABRN O=C(NC[C@H]1CC[C@H](c2nnc(-c3cccnc3)o2)CC1)c1cccc(F)c1F ZINC000257228983 570891364 /nfs/dbraw/zinc/89/13/64/570891364.db2.gz FWCFNCAKYNGNCD-HDJSIYSDSA-N 0 0 398.413 4.114 40 0 GIABRN COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)C2CC2)cc1OC ZINC000014608063 570893659 /nfs/dbraw/zinc/89/36/59/570893659.db2.gz PFUTVRWLRPIWFQ-FQEVSTJZSA-N 0 0 377.444 4.150 40 0 GIABRN CCCC(=O)NC[C@H]1CC[C@H](c2nc(NC3CC3)ncc2-c2cc(C)no2)CC1 ZINC000257338356 570909031 /nfs/dbraw/zinc/90/90/31/570909031.db2.gz YWZZPFSRIYVWMO-WKILWMFISA-N 0 0 397.523 4.204 40 0 GIABRN Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)C3CC3)CC2)on1 ZINC000257335509 570909076 /nfs/dbraw/zinc/90/90/76/570909076.db2.gz YKLZTOKVBNWZGE-WKILWMFISA-N 0 0 382.508 4.363 40 0 GIABRN CCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1C ZINC000032586105 570909369 /nfs/dbraw/zinc/90/93/69/570909369.db2.gz JRPFLQLFYAUNKJ-UHFFFAOYSA-N 0 0 388.258 4.096 40 0 GIABRN COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)c1cc(C)ccc1C ZINC000016087817 570910225 /nfs/dbraw/zinc/91/02/25/570910225.db2.gz KBMGNHYDCPWBAP-ZDUSSCGKSA-N 0 0 398.322 4.114 40 0 GIABRN Cc1ccc2nc(-c3ccc(CNC(=O)c4ccc5c(c4)OCO5)cc3)oc2c1 ZINC000016348649 570912938 /nfs/dbraw/zinc/91/29/38/570912938.db2.gz VXRIRRUOKGNHJW-UHFFFAOYSA-N 0 0 386.407 4.462 40 0 GIABRN Cc1ccc(N2C(=N)S[C@H](Cc3ccc(Br)cc3)C2=O)cc1 ZINC000004539865 570913484 /nfs/dbraw/zinc/91/34/84/570913484.db2.gz YNUHLAVXVKSCMS-OAHLLOKOSA-N 0 0 375.291 4.383 40 0 GIABRN O=S(=O)(Nc1c(F)cccc1C(F)(F)F)c1cccc(Br)c1 ZINC000199769646 570919798 /nfs/dbraw/zinc/91/97/98/570919798.db2.gz BHGQJIRGHXQPEM-UHFFFAOYSA-N 0 0 398.175 4.408 40 0 GIABRN Cc1ccc(C(=O)N2CCC[C@@]3(CCCN3c3ncnc4ccccc43)CC2)o1 ZINC000585100754 570925719 /nfs/dbraw/zinc/92/57/19/570925719.db2.gz VOSOUSYHXKNBRU-HSZRJFAPSA-N 0 0 390.487 4.197 40 0 GIABRN Cc1ncc(CN2CC[C@@]23CCCN(C(=O)c2cc(Cl)ccc2F)C3)s1 ZINC000585101769 570927535 /nfs/dbraw/zinc/92/75/35/570927535.db2.gz FDLJBBDBYHBSCX-LJQANCHMSA-N 0 0 393.915 4.125 40 0 GIABRN Cc1cc2nc(-c3ccc(NC(N)=S)cc3O)oc2c(Br)c1C ZINC000020156905 570930128 /nfs/dbraw/zinc/93/01/28/570930128.db2.gz SZTRANDZAGGOOO-UHFFFAOYSA-N 0 0 392.278 4.235 40 0 GIABRN CC(C)c1ccc(CN2CCc3oc(C(=O)N4CCC[C@@H](C)C4)nc3C2)cc1 ZINC000585111808 570942426 /nfs/dbraw/zinc/94/24/26/570942426.db2.gz HFTYASDWFIYOOL-QGZVFWFLSA-N 0 0 381.520 4.228 40 0 GIABRN COc1ccc2[nH]c(SCc3ccc(I)cc3)nc2c1 ZINC000020197206 570943027 /nfs/dbraw/zinc/94/30/27/570943027.db2.gz FBPRLONMUCVTOT-UHFFFAOYSA-N 0 0 396.253 4.468 40 0 GIABRN CC(C)c1ccc(CN2CCc3oc(C(=O)N(C)C4CC(C)C4)nc3C2)cc1 ZINC000585112104 570942727 /nfs/dbraw/zinc/94/27/27/570942727.db2.gz LHCUYTBQBXRWGU-UHFFFAOYSA-N 0 0 381.520 4.227 40 0 GIABRN Cc1ccc(CC(=O)N[C@@H]2CCCn3cnc(-c4ccc(N(C)C)cc4)c32)cc1 ZINC000585110695 570944091 /nfs/dbraw/zinc/94/40/91/570944091.db2.gz VHCNYWPAJLUWDN-OAQYLSRUSA-N 0 0 388.515 4.118 40 0 GIABRN O=C(NCc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000240651505 570981954 /nfs/dbraw/zinc/98/19/54/570981954.db2.gz AGARBPAUADOZIT-LBPRGKRZSA-N 0 0 397.689 4.316 40 0 GIABRN O=C(NCc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000240651503 570981975 /nfs/dbraw/zinc/98/19/75/570981975.db2.gz AGARBPAUADOZIT-GFCCVEGCSA-N 0 0 397.689 4.316 40 0 GIABRN O=C(Cc1ccccc1)N1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000244451471 570990139 /nfs/dbraw/zinc/99/01/39/570990139.db2.gz ZBZKAXJPROBLKH-UHFFFAOYSA-N 0 0 390.405 4.125 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc(C2CC2)cc(N2Cc3ccccc3CC2(C)C)n1 ZINC000328967552 571047869 /nfs/dbraw/zinc/04/78/69/571047869.db2.gz CVDAAJXPJAGCRC-HXUWFJFHSA-N 0 0 380.536 4.124 40 0 GIABRN Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2C)n1C ZINC000005858848 817623104 /nfs/dbraw/zinc/62/31/04/817623104.db2.gz SJOVBSSCWIYCLG-UHFFFAOYSA-N 0 0 386.908 4.483 40 0 GIABRN Cc1ccc(CSc2nnc([C@@H](C)NC(=O)c3ccc(C)cc3)n2C)cc1 ZINC000006204563 817666811 /nfs/dbraw/zinc/66/68/11/817666811.db2.gz ZBNFIVSHSFQZQE-MRXNPFEDSA-N 0 0 380.517 4.215 40 0 GIABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2)ccc1C ZINC000006235044 817669679 /nfs/dbraw/zinc/66/96/79/817669679.db2.gz CTGLYOKEQJBPJB-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccccc1O ZINC000006307918 817674777 /nfs/dbraw/zinc/67/47/77/817674777.db2.gz AHXUHAMOUOOODE-ZROIWOOFSA-N 0 0 387.794 4.062 40 0 GIABRN CC(C)CCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000006325856 817676929 /nfs/dbraw/zinc/67/69/29/817676929.db2.gz PHZFDRAPLUJHKZ-QFIPXVFZSA-N 0 0 382.529 4.237 40 0 GIABRN O=C1S/C(=C/c2cc3ccccc3oc2=O)C(=O)N1Cc1ccc(F)cc1 ZINC000006496492 817698071 /nfs/dbraw/zinc/69/80/71/817698071.db2.gz GZRNQNVXDGLEMW-LICLKQGHSA-N 0 0 381.384 4.169 40 0 GIABRN CCCCCNC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000006597304 817707435 /nfs/dbraw/zinc/70/74/35/817707435.db2.gz PKTZNFBXULDYHW-QHCPKHFHSA-N 0 0 396.556 4.423 40 0 GIABRN CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(C(F)(F)F)cc2)C1=O ZINC000006650146 817715550 /nfs/dbraw/zinc/71/55/50/817715550.db2.gz IAKNOSPYDYYDQJ-LCYFTJDESA-N 0 0 387.379 4.085 40 0 GIABRN CCCN1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)C1=O ZINC000006879183 817721130 /nfs/dbraw/zinc/72/11/30/817721130.db2.gz YHSPBTXQBGRQIL-QGOAFFKASA-N 0 0 396.468 4.150 40 0 GIABRN CCOc1cc(C(=S)N2CCCC2)ccc1OCC(=O)Nc1ccccc1C ZINC000006960938 817729797 /nfs/dbraw/zinc/72/97/97/817729797.db2.gz WVQCNHHFACFMSR-UHFFFAOYSA-N 0 0 398.528 4.183 40 0 GIABRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)C1=O ZINC000007070166 817752026 /nfs/dbraw/zinc/75/20/26/817752026.db2.gz VFWDSTMSFILXIO-RNEAKCBISA-N 0 0 397.500 4.324 40 0 GIABRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(C(F)(F)F)cc2)C1=O ZINC000007070894 817752043 /nfs/dbraw/zinc/75/20/43/817752043.db2.gz CRTBTUKDJSUEBH-GARZTLJTSA-N 0 0 387.379 4.083 40 0 GIABRN CC[C@H](OC(=O)c1ccc(Cn2nnc3ccccc32)cc1)C(=O)c1ccccc1 ZINC000007070022 817752080 /nfs/dbraw/zinc/75/20/80/817752080.db2.gz XDKZYRBXSJKVMV-QFIPXVFZSA-N 0 0 399.450 4.298 40 0 GIABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000007106144 817760687 /nfs/dbraw/zinc/76/06/87/817760687.db2.gz WGYWFWPZTBFMMD-QGZVFWFLSA-N 0 0 384.495 4.239 40 0 GIABRN CC[C@H](OC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1)C(=O)c1ccccc1 ZINC000007881463 817949478 /nfs/dbraw/zinc/94/94/78/817949478.db2.gz UHDMWFGYSROWNM-APWZRJJASA-N 0 0 399.874 4.206 40 0 GIABRN CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000007928371 817961733 /nfs/dbraw/zinc/96/17/33/817961733.db2.gz CNDGCSAZZXLKLG-CYBMUJFWSA-N 0 0 391.254 4.188 40 0 GIABRN CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)cc1 ZINC000007929021 817962315 /nfs/dbraw/zinc/96/23/15/817962315.db2.gz QDKBGZSXTFVHHE-MRXNPFEDSA-N 0 0 381.472 4.341 40 0 GIABRN Cc1cc(C)cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 ZINC000007928827 817962416 /nfs/dbraw/zinc/96/24/16/817962416.db2.gz CXRXUZUGJCHLLQ-CQSZACIVSA-N 0 0 388.261 4.024 40 0 GIABRN CCOc1ccc(N2C[C@@H](C(=O)Oc3ccc4ccccc4c3)CC2=O)cc1 ZINC000007929190 817963003 /nfs/dbraw/zinc/96/30/03/817963003.db2.gz HYXRWSDJXBPFOF-SFHVURJKSA-N 0 0 375.424 4.197 40 0 GIABRN CC(=O)c1cccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000007968735 817970431 /nfs/dbraw/zinc/97/04/31/817970431.db2.gz FPXCTUQMJXQCFZ-UHFFFAOYSA-N 0 0 384.863 4.034 40 0 GIABRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000008022449 817984658 /nfs/dbraw/zinc/98/46/58/817984658.db2.gz KHFWBQKBOICCGC-FQEVSTJZSA-N 0 0 397.446 4.219 40 0 GIABRN CCc1ccccc1NC(=O)Cn1nc(COc2ccc(C)cc2)oc1=S ZINC000008088464 817997763 /nfs/dbraw/zinc/99/77/63/817997763.db2.gz SCNPQRUXQDVRHT-UHFFFAOYSA-N 0 0 383.473 4.294 40 0 GIABRN CO[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)C1 ZINC000012145555 818143746 /nfs/dbraw/zinc/14/37/46/818143746.db2.gz USXJIDWZPYNERT-XFQXTVEOSA-N 0 0 399.510 4.346 40 0 GIABRN CO[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)C1 ZINC000012145557 818143825 /nfs/dbraw/zinc/14/38/25/818143825.db2.gz USXJIDWZPYNERT-QKYXUNIQSA-N 0 0 399.510 4.346 40 0 GIABRN O=C(c1cccnc1)N1CCO[C@@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 ZINC000019687750 818598826 /nfs/dbraw/zinc/59/88/26/818598826.db2.gz QWIFDDLBRYXFLK-HXUWFJFHSA-N 0 0 379.847 4.011 40 0 GIABRN COc1cccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3cnn(C)c3C)c2)c1 ZINC000019690646 818598921 /nfs/dbraw/zinc/59/89/21/818598921.db2.gz SILRPUCYKAJHAF-QFIPXVFZSA-N 0 0 390.487 4.085 40 0 GIABRN Cc1ccccc1-c1ccccc1CC1(C(N)=O)CCN(C(=O)C(C)(C)C)CC1 ZINC000019700061 818600115 /nfs/dbraw/zinc/60/01/15/818600115.db2.gz VEYMZKUFXLJDLS-UHFFFAOYSA-N 0 0 392.543 4.345 40 0 GIABRN NC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000019700240 818600785 /nfs/dbraw/zinc/60/07/85/818600785.db2.gz QMNUWQKGSVTRDA-UHFFFAOYSA-N 0 0 398.506 4.304 40 0 GIABRN Cc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCc3ccccc3C2)cc1 ZINC000020121061 818614484 /nfs/dbraw/zinc/61/44/84/818614484.db2.gz RLSHYNOKTHJYFA-DEOSSOPVSA-N 0 0 395.510 4.178 40 0 GIABRN Fc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCc3ccccc3C2)cc1 ZINC000020120955 818614685 /nfs/dbraw/zinc/61/46/85/818614685.db2.gz WHKCLFHZCJQUQG-QHCPKHFHSA-N 0 0 399.473 4.008 40 0 GIABRN O=C(CSc1nnc(-c2ccccn2)o1)Nc1cc(Cl)cc(Cl)c1 ZINC000027753370 820282506 /nfs/dbraw/zinc/28/25/06/820282506.db2.gz HVSGYIFGJZOAMV-UHFFFAOYSA-N 0 0 381.244 4.169 40 0 GIABRN COc1ccc(C(=O)CCC(=O)Nc2ccc(Br)cc2)cc1OC ZINC000028091147 820311128 /nfs/dbraw/zinc/31/11/28/820311128.db2.gz FVJHNMDNAVLMKM-UHFFFAOYSA-N 0 0 392.249 4.068 40 0 GIABRN O=C(CCCOc1ccc(Cl)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000035683466 821066230 /nfs/dbraw/zinc/06/62/30/821066230.db2.gz JKFCHUPKSJABFD-XBXARRHUSA-N 0 0 398.934 4.357 40 0 GIABRN S=c1n(CN(Cc2ccccc2)Cc2ccccc2)nnn1-c1ccccc1 ZINC000054956604 822925333 /nfs/dbraw/zinc/92/53/33/822925333.db2.gz GMCNLFFHEMOGRR-UHFFFAOYSA-N 0 0 387.512 4.458 40 0 GIABRN Cc1cccc(C)c1-n1nnnc1CN(Cc1ccccc1)Cc1ccccc1 ZINC000054959690 822925668 /nfs/dbraw/zinc/92/56/68/822925668.db2.gz PXQPANPSINUTAX-UHFFFAOYSA-N 0 0 383.499 4.482 40 0 GIABRN O=C(Nc1c(F)cccc1F)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000123781500 231026211 /nfs/dbraw/zinc/02/62/11/231026211.db2.gz GDYVHYGHHGUECO-UHFFFAOYSA-N 0 0 388.395 4.018 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)cc1Cl ZINC000408582324 231067178 /nfs/dbraw/zinc/06/71/78/231067178.db2.gz CIFANOZMMUVWEL-UHFFFAOYSA-N 0 0 394.924 4.143 40 0 GIABRN Cc1cc(S(=O)(=O)NC2CCCCCC2)ccc1NC(=O)c1ccccc1 ZINC000408610370 231078487 /nfs/dbraw/zinc/07/84/87/231078487.db2.gz TWXAHGVRHSIKDZ-UHFFFAOYSA-N 0 0 386.517 4.248 40 0 GIABRN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000408706422 231100354 /nfs/dbraw/zinc/10/03/54/231100354.db2.gz QDKSDJHJJFBRQP-UHFFFAOYSA-N 0 0 387.288 4.032 40 0 GIABRN Cc1cc(C)c(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)c(C)c1 ZINC000408708960 231101564 /nfs/dbraw/zinc/10/15/64/231101564.db2.gz NOEAWJVABZADSB-UHFFFAOYSA-N 0 0 386.495 4.499 40 0 GIABRN Cc1cccc(N2C[C@@H](C(=O)NCC(c3ccccc3)c3ccccc3)CC2=O)c1 ZINC000408708825 231101943 /nfs/dbraw/zinc/10/19/43/231101943.db2.gz UCGSAMROYFYFEM-QFIPXVFZSA-N 0 0 398.506 4.296 40 0 GIABRN C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC1CCCCCC1 ZINC000408736560 231108545 /nfs/dbraw/zinc/10/85/45/231108545.db2.gz CPKYJXSKRZRLJA-GOSISDBHSA-N 0 0 378.516 4.162 40 0 GIABRN Cc1cc(C)c(OCC(=O)N2NC3=C(CCCCC3)[C@]2(O)C(F)(F)F)c(C)c1 ZINC000408957002 231135305 /nfs/dbraw/zinc/13/53/05/231135305.db2.gz SCHQVFMBJNMIOC-KXBFYZLASA-N 0 0 398.425 4.020 40 0 GIABRN Cc1cc(Cl)ccc1NC(=O)CSc1nnc(COc2ccccc2)o1 ZINC000409005522 231145368 /nfs/dbraw/zinc/14/53/68/231145368.db2.gz FMQLUGFOWHQXCT-UHFFFAOYSA-N 0 0 389.864 4.341 40 0 GIABRN CCn1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000408939678 231133673 /nfs/dbraw/zinc/13/36/73/231133673.db2.gz TXVOPRGPAYSYLO-WQRHYEAKSA-N 0 0 379.847 4.408 40 0 GIABRN Cc1cc(-c2ccc(/C=C3/C(=O)N(C)C(=S)N3C)o2)ccc1Br ZINC000409126105 231167149 /nfs/dbraw/zinc/16/71/49/231167149.db2.gz ATQCPINGSHPOOW-ZROIWOOFSA-N 0 0 391.290 4.047 40 0 GIABRN Cc1cccc(OCc2nn(CC(=O)Nc3cc(F)ccc3C)c(=S)o2)c1 ZINC000409158724 231172615 /nfs/dbraw/zinc/17/26/15/231172615.db2.gz YQFHBASVSWKGRJ-UHFFFAOYSA-N 0 0 387.436 4.179 40 0 GIABRN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(F)c1C ZINC000409176016 231174785 /nfs/dbraw/zinc/17/47/85/231174785.db2.gz XAHXTCACNUGUER-UHFFFAOYSA-N 0 0 384.480 4.067 40 0 GIABRN Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 ZINC000409176747 231175543 /nfs/dbraw/zinc/17/55/43/231175543.db2.gz WNUMDLJRFMVATE-UHFFFAOYSA-N 0 0 377.396 4.171 40 0 GIABRN Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)s1 ZINC000409324424 231189786 /nfs/dbraw/zinc/18/97/86/231189786.db2.gz SULZEDAZURNSFR-CXUHLZMHSA-N 0 0 386.498 4.348 40 0 GIABRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3F)C2=O)c1 ZINC000409333076 231190914 /nfs/dbraw/zinc/19/09/14/231190914.db2.gz IHGLWKBQQUYUOO-LICLKQGHSA-N 0 0 384.432 4.118 40 0 GIABRN CC[C@@H](C)n1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)c2ccccc21 ZINC000409104259 529437191 /nfs/dbraw/zinc/43/71/91/529437191.db2.gz GXUNLNPUWHRMRM-HSFOFRNISA-N 0 0 386.473 4.210 40 0 GIABRN CCc1ccccc1NC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000008040885 529591686 /nfs/dbraw/zinc/59/16/86/529591686.db2.gz AEDRSXYFWSSMDV-UHFFFAOYSA-N 0 0 394.924 4.087 40 0 GIABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000408628693 529601487 /nfs/dbraw/zinc/60/14/87/529601487.db2.gz WCDVYBWCHIZCBN-UHFFFAOYSA-N 0 0 393.468 4.221 40 0 GIABRN CCc1ccc(C2=NN(C(=O)c3ccc(C)cc3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000409100455 529618888 /nfs/dbraw/zinc/61/88/88/529618888.db2.gz NNBMTYSTZNLILG-LJQANCHMSA-N 0 0 376.378 4.059 40 0 GIABRN CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 ZINC000223745255 222641642 /nfs/dbraw/zinc/64/16/42/222641642.db2.gz GTYARYLFYPOKPI-UHFFFAOYSA-N 0 0 379.909 4.264 40 0 GIABRN CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 ZINC000223745175 222642032 /nfs/dbraw/zinc/64/20/32/222642032.db2.gz SBIZXKACDHHPTB-UHFFFAOYSA-N 0 0 379.909 4.264 40 0 GIABRN CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)c4ccc(F)cc4)[C@@H]3C[C@H]21 ZINC000257235713 222760918 /nfs/dbraw/zinc/76/09/18/222760918.db2.gz GZBLQFCEWBOYIB-UKAVVXHISA-N 0 0 381.447 4.358 40 0 GIABRN CCNc1nc(Nc2ccc(Br)cc2C)cc(-c2cccnc2)n1 ZINC000328969447 222805852 /nfs/dbraw/zinc/80/58/52/222805852.db2.gz DDZATOIHPWZHJT-UHFFFAOYSA-N 0 0 384.281 4.207 40 0 GIABRN COC(=O)/C=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000062714996 209125013 /nfs/dbraw/zinc/12/50/13/209125013.db2.gz QIZGQBAQBBEDEP-CMDGGOBGSA-N 0 0 377.234 4.223 40 0 GIABRN COC(=O)/C=C/c1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000062715615 209124189 /nfs/dbraw/zinc/12/41/89/209124189.db2.gz KVTPKDJDYFIDOJ-BQYQJAHWSA-N 0 0 395.224 4.362 40 0 GIABRN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCCO)cc1 ZINC000002715242 209115696 /nfs/dbraw/zinc/11/56/96/209115696.db2.gz QDCLFIKCOROYBW-UHFFFAOYSA-N 0 0 388.471 4.281 40 0 GIABRN Cc1nc2[nH]c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nc2cc1Br ZINC000071257619 209110564 /nfs/dbraw/zinc/11/05/64/209110564.db2.gz QAFMUYFZRGVMAX-LLVKDONJSA-N 0 0 395.301 4.143 40 0 GIABRN Cc1ncsc1CN1CCC[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306144517 209108918 /nfs/dbraw/zinc/10/89/18/209108918.db2.gz ZHOKLVPVILVAAV-GOSISDBHSA-N 0 0 375.501 4.498 40 0 GIABRN FC(F)(F)c1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc(NC2CC2)n1 ZINC000329066896 206243521 /nfs/dbraw/zinc/24/35/21/206243521.db2.gz YEGRUTLMESQUCO-UHFFFAOYSA-N 0 0 396.722 4.329 40 0 GIABRN FC(F)(F)Oc1cccc(-c2cc(Nc3ccccc3)nc(NC3CC3)n2)c1 ZINC000329065099 206244618 /nfs/dbraw/zinc/24/46/18/206244618.db2.gz XPMHGYUQPQLREL-UHFFFAOYSA-N 0 0 386.377 4.204 40 0 GIABRN Cc1cc(Nc2cc(-c3ccccn3)nc(N[C@H](CO)C(C)C)n2)ccc1F ZINC000329065685 206244719 /nfs/dbraw/zinc/24/47/19/206244719.db2.gz XTQGMYJDUSKEBO-LJQANCHMSA-N 0 0 381.455 4.159 40 0 GIABRN Fc1ccc(F)c(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)c1F ZINC000328974817 206239879 /nfs/dbraw/zinc/23/98/79/206239879.db2.gz FGTDETKRLYTMFA-UHFFFAOYSA-N 0 0 399.420 4.288 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2ccc(OC(F)F)cc2)cc(C(F)(F)F)n1 ZINC000328979990 206239899 /nfs/dbraw/zinc/23/98/99/206239899.db2.gz GJXIPZAZZSRXQN-SECBINFHSA-N 0 0 376.329 4.473 40 0 GIABRN Fc1cccc(C(F)(F)F)c1Nc1cc(C2CC2)nc(NC2CCCC2)n1 ZINC000328995042 206240136 /nfs/dbraw/zinc/24/01/36/206240136.db2.gz JFMRHZRIKMPXLW-UHFFFAOYSA-N 0 0 380.389 4.454 40 0 GIABRN COc1cc(Nc2cc(Cl)nc(-c3ccccn3)n2)c(OC)cc1Cl ZINC000329003397 206240327 /nfs/dbraw/zinc/24/03/27/206240327.db2.gz KMMRBYORWSSYBW-UHFFFAOYSA-N 0 0 377.231 4.028 40 0 GIABRN Cc1ccc(Nc2cc(C3CC3)nc(N[C@H](CO)C(C)C)n2)cc1C(F)(F)F ZINC000328998558 206240456 /nfs/dbraw/zinc/24/04/56/206240456.db2.gz JSTQGPQMWGTJLG-QGZVFWFLSA-N 0 0 394.441 4.276 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000329016017 206241472 /nfs/dbraw/zinc/24/14/72/206241472.db2.gz NFECNZFFKZOTHQ-ZDUSSCGKSA-N 0 0 387.409 4.355 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2ccc(OC)c(C(F)(F)F)c2)cc(C2CC2)n1 ZINC000329024808 206241561 /nfs/dbraw/zinc/24/15/61/206241561.db2.gz PBMRXNGLDBVYAH-NSHDSACASA-N 0 0 380.414 4.179 40 0 GIABRN CNc1nc(Nc2cccc(F)c2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329047231 206242390 /nfs/dbraw/zinc/24/23/90/206242390.db2.gz UFPKRIBZJDXKEU-UHFFFAOYSA-N 0 0 392.356 4.119 40 0 GIABRN Cc1cccc(Cl)c1Nc1cc(-c2ccccn2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329056079 206242474 /nfs/dbraw/zinc/24/24/74/206242474.db2.gz VQRSFBONAASTJE-SFHVURJKSA-N 0 0 397.910 4.095 40 0 GIABRN Brc1cccc(Nc2cc(C3CC3)nc(NC3CCCCC3)n2)c1 ZINC000329041946 206242646 /nfs/dbraw/zinc/24/26/46/206242646.db2.gz SLKCKEPSHITDCL-UHFFFAOYSA-N 0 0 387.325 4.449 40 0 GIABRN Clc1ccccc1CNc1cc(-c2cccnc2)nc(NC2CCCC2)n1 ZINC000329038186 206242707 /nfs/dbraw/zinc/24/27/07/206242707.db2.gz RSFGRDFHBMTWSF-UHFFFAOYSA-N 0 0 379.895 4.002 40 0 GIABRN CCOc1cc(C(=O)OC)cc(Br)c1OCc1cccc(F)c1 ZINC000216830859 206254471 /nfs/dbraw/zinc/25/44/71/206254471.db2.gz KMAJLWSAWZKARD-UHFFFAOYSA-N 0 0 383.213 4.353 40 0 GIABRN Cc1cc(C)c(OCC(=O)n2cc(CO)c3ccccc32)c(Br)c1 ZINC000216819829 206253815 /nfs/dbraw/zinc/25/38/15/206253815.db2.gz GSLUUTOXFBCRCK-UHFFFAOYSA-N 0 0 388.261 4.232 40 0 GIABRN Cc1cc2[nH]c(=NN)sc2c(C)c1NC(=O)c1ccccc1Br ZINC000045888958 206263975 /nfs/dbraw/zinc/26/39/75/206263975.db2.gz WWHWYQBEPRNVRK-UHFFFAOYSA-N 0 0 391.294 4.214 40 0 GIABRN Cc1cc2[nH]c(=NN)sc2c(C)c1NC(=O)c1ccc(Br)cc1 ZINC000045888978 206264521 /nfs/dbraw/zinc/26/45/21/206264521.db2.gz IAJJBMPEMCGACP-UHFFFAOYSA-N 0 0 391.294 4.214 40 0 GIABRN COC(=O)[C@@H]1CC(=O)N(c2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)C1 ZINC000057327352 206279076 /nfs/dbraw/zinc/27/90/76/206279076.db2.gz HDDSCURGDXDCDI-MRXNPFEDSA-N 0 0 378.428 4.144 40 0 GIABRN Cc1cccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1 ZINC000000835233 206326405 /nfs/dbraw/zinc/32/64/05/206326405.db2.gz SNHRQMTWXBLLQT-UHFFFAOYSA-N 0 0 394.496 4.214 40 0 GIABRN COc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 ZINC000000841768 206326750 /nfs/dbraw/zinc/32/67/50/206326750.db2.gz SHWNDZCZJYGOQM-RGEXLXHISA-N 0 0 378.453 4.166 40 0 GIABRN Cc1sc2ncn3c(SCc4nnc(-c5ccccc5)o4)nnc3c2c1C ZINC000000925333 206334621 /nfs/dbraw/zinc/33/46/21/206334621.db2.gz VWQAJNALFLMBCW-UHFFFAOYSA-N 0 0 394.485 4.298 40 0 GIABRN CC(=O)c1cccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2Cl)c1 ZINC000001343648 206374093 /nfs/dbraw/zinc/37/40/93/206374093.db2.gz HYBJQQKRUSSXCX-SFHVURJKSA-N 0 0 385.851 4.178 40 0 GIABRN CC(=O)[C@]1(c2ccccc2)N(C(=O)c2ccccc2)[C@]1(C)C(=O)c1ccccc1 ZINC000001624054 206387022 /nfs/dbraw/zinc/38/70/22/206387022.db2.gz VLXVKEBXCMSSFW-YFHSQZFMSA-N 0 0 383.447 4.269 40 0 GIABRN CCOc1ccc(C(=O)CCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000001593227 206387666 /nfs/dbraw/zinc/38/76/66/206387666.db2.gz PMVNUZPSIBFSHZ-UHFFFAOYSA-N 0 0 376.250 4.449 40 0 GIABRN O=C(Nc1cc(Cl)c(I)cc1Cl)C(F)(F)F ZINC000001725718 206390091 /nfs/dbraw/zinc/39/00/91/206390091.db2.gz XOZSOJYBWXCNIX-UHFFFAOYSA-N 0 0 383.922 4.099 40 0 GIABRN CCOc1cc(/C=C2/N=C(c3ccccc3Cl)OC2=O)ccc1OC(C)=O ZINC000003657401 206492634 /nfs/dbraw/zinc/49/26/34/206492634.db2.gz MXFBTMQVVPPOSZ-MHWRWJLKSA-N 0 0 385.803 4.009 40 0 GIABRN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000005710681 206626615 /nfs/dbraw/zinc/62/66/15/206626615.db2.gz IPLIBOCWCCYHBR-KRWDZBQOSA-N 0 0 376.456 4.082 40 0 GIABRN COc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)Nc1cccc2ccccc21 ZINC000035289562 206628352 /nfs/dbraw/zinc/62/83/52/206628352.db2.gz CQPCUVYDLYFGBB-HXUWFJFHSA-N 0 0 389.455 4.483 40 0 GIABRN C[C@@H]1[C@H](c2ccccc2O)c2cc3c(cc2O[C@@H]1NNc1ccccc1)OCO3 ZINC000005956719 206635201 /nfs/dbraw/zinc/63/52/01/206635201.db2.gz BBXMIJIOSXULBG-AUDZJJNUSA-N 0 0 390.439 4.224 40 0 GIABRN O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1ccccc1Cl ZINC000006045407 206638207 /nfs/dbraw/zinc/63/82/07/206638207.db2.gz FMYMMYZTAUYHQF-UHFFFAOYSA-N 0 0 386.860 4.219 40 0 GIABRN Cc1ccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)c(Cl)c1 ZINC000006415183 206650956 /nfs/dbraw/zinc/65/09/56/206650956.db2.gz AYGJQQGRFGYYNC-UHFFFAOYSA-N 0 0 387.892 4.347 40 0 GIABRN Cc1cccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1C ZINC000006504465 206652645 /nfs/dbraw/zinc/65/26/45/206652645.db2.gz JVXJEEMCIHMFSZ-UHFFFAOYSA-N 0 0 388.467 4.251 40 0 GIABRN CC(C)Oc1cccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)c1 ZINC000006200678 206643966 /nfs/dbraw/zinc/64/39/66/206643966.db2.gz KOHPSZDXUJXDOZ-UHFFFAOYSA-N 0 0 389.477 4.349 40 0 GIABRN Cc1ccc(Cn2c3nnc(-c4cccc(C)c4)n3c3ccccc3c2=O)cc1 ZINC000006781169 206675312 /nfs/dbraw/zinc/67/53/12/206675312.db2.gz ARKIQTBUFMMCPU-UHFFFAOYSA-N 0 0 380.451 4.376 40 0 GIABRN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2c(OC)cccc2OC)c1 ZINC000006937308 206695223 /nfs/dbraw/zinc/69/52/23/206695223.db2.gz NVTNZMBLGSORBS-GFCCVEGCSA-N 0 0 388.489 4.050 40 0 GIABRN CN(C)C(=O)c1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1 ZINC000007368570 206711213 /nfs/dbraw/zinc/71/12/13/206711213.db2.gz HKGFARILGKLNSK-UHFFFAOYSA-N 0 0 393.965 4.121 40 0 GIABRN O=C(C[C@H]1Nc2ccccc2OC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000009096651 206774860 /nfs/dbraw/zinc/77/48/60/206774860.db2.gz LYBLGMMIBKYOQF-CYBMUJFWSA-N 0 0 384.741 4.087 40 0 GIABRN CC(=O)N[C@@H]1CCCC[C@]12CN(Cc1csc3ccc(Cl)cc13)CCO2 ZINC000306139100 209106191 /nfs/dbraw/zinc/10/61/91/209106191.db2.gz SPIDTRYOCVOXPE-UXHICEINSA-N 0 0 392.952 4.204 40 0 GIABRN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012116087 206857883 /nfs/dbraw/zinc/85/78/83/206857883.db2.gz QEDPYISAYXHKQP-OAQYLSRUSA-N 0 0 399.498 4.402 40 0 GIABRN COc1ccccc1C1(NC(=O)c2ccc(OC3CSC3)cc2)CCCC1 ZINC000012155256 206863384 /nfs/dbraw/zinc/86/33/84/206863384.db2.gz CAZWUWAZBGYEAC-UHFFFAOYSA-N 0 0 383.513 4.389 40 0 GIABRN Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)C3CC3)cc2)on1 ZINC000012159063 206864230 /nfs/dbraw/zinc/86/42/30/206864230.db2.gz WHQGBJVWBROTOJ-UHFFFAOYSA-N 0 0 376.460 4.257 40 0 GIABRN COc1ccccc1-c1cnc2n1C[C@@]1(CCN(C(=O)c3ccc(C)s3)C1)C2 ZINC000306139144 209106053 /nfs/dbraw/zinc/10/60/53/209106053.db2.gz SQLCQGUSMIEKFI-QFIPXVFZSA-N 0 0 393.512 4.017 40 0 GIABRN CC[C@@H](C(=O)Nc1ccc(C)cc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714114 206992938 /nfs/dbraw/zinc/99/29/38/206992938.db2.gz JEBGZRYLBLDDCN-SFHVURJKSA-N 0 0 394.924 4.140 40 0 GIABRN CCc1ccc(NC(=O)[C@@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000013714265 206993256 /nfs/dbraw/zinc/99/32/56/206993256.db2.gz CZUVPKDFBXSMJM-GOSISDBHSA-N 0 0 394.924 4.086 40 0 GIABRN Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4C)[C@@H]3C2=O)c1 ZINC000013786747 207000044 /nfs/dbraw/zinc/00/00/44/207000044.db2.gz ZBLYLOUOOPRVGQ-VABKMULXSA-N 0 0 398.462 4.355 40 0 GIABRN CC(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000014003279 207007942 /nfs/dbraw/zinc/00/79/42/207007942.db2.gz VMGLOSCVGGHSRW-UHFFFAOYSA-N 0 0 392.455 4.351 40 0 GIABRN CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1O[C@@H](C)CC ZINC000015008988 207040216 /nfs/dbraw/zinc/04/02/16/207040216.db2.gz PWMOCXABKJIPKX-DABDWFRDSA-N 0 0 394.496 4.033 40 0 GIABRN O=C(Nc1cccc(F)c1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000015414741 207051511 /nfs/dbraw/zinc/05/15/11/207051511.db2.gz ZOFYYTAXULZTQC-UHFFFAOYSA-N 0 0 388.395 4.018 40 0 GIABRN Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)n(-n3cccc3)c2=S)cc1 ZINC000016806987 207078834 /nfs/dbraw/zinc/07/88/34/207078834.db2.gz OAQABEICYZDGOV-UHFFFAOYSA-N 0 0 389.484 4.141 40 0 GIABRN CCCC(=O)n1c(C)nc2c1SC(c1ccc(F)cc1)=NN2C(=O)CCC ZINC000016777833 207078865 /nfs/dbraw/zinc/07/88/65/207078865.db2.gz CZJJBWVEGKYVNK-UHFFFAOYSA-N 0 0 388.468 4.372 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C(=O)[C@@H]1CC12CCC2 ZINC000019017439 207100068 /nfs/dbraw/zinc/10/00/68/207100068.db2.gz BAASDGQDPSTOQO-KJJMTIBFSA-N 0 0 398.522 4.101 40 0 GIABRN Cc1cccc(OCCNC(=O)c2cc(-c3ccncc3)c3cnccc3n2)c1C ZINC000019235736 207109981 /nfs/dbraw/zinc/10/99/81/207109981.db2.gz YQEWGHHFJMZHPC-UHFFFAOYSA-N 0 0 398.466 4.117 40 0 GIABRN CC(C)(C)OC(=O)N[C@@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccccc1 ZINC000019083248 207102858 /nfs/dbraw/zinc/10/28/58/207102858.db2.gz YOJSXNULBPOJQM-SFHVURJKSA-N 0 0 392.459 4.053 40 0 GIABRN Cc1cc(C)n(-c2nc(C(=O)Nc3ncc(Cc4ccccc4)s3)cs2)n1 ZINC000019116495 207103411 /nfs/dbraw/zinc/10/34/11/207103411.db2.gz NMWSBNPENBULMO-UHFFFAOYSA-N 0 0 395.513 4.245 40 0 GIABRN COc1cc(C)ccc1CN1CCCC[C@H]1c1cc(=O)[nH]c(-c2ccncc2)n1 ZINC000019134042 207103734 /nfs/dbraw/zinc/10/37/34/207103734.db2.gz DPQSMUWHDBKORN-FQEVSTJZSA-N 0 0 390.487 4.288 40 0 GIABRN Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)CC2CCCC2)on1 ZINC000019121780 207104183 /nfs/dbraw/zinc/10/41/83/207104183.db2.gz OILGUDPXNYTWCI-GOSISDBHSA-N 0 0 397.523 4.140 40 0 GIABRN COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc(C)cc1 ZINC000019135549 207105021 /nfs/dbraw/zinc/10/50/21/207105021.db2.gz TWFLHFVKZJLEDC-FQEVSTJZSA-N 0 0 375.472 4.056 40 0 GIABRN COc1cccc(CN2CCC[C@H]2c2nnc(-c3ccc(C)s3)o2)c1OC ZINC000019217748 207107174 /nfs/dbraw/zinc/10/71/74/207107174.db2.gz VWCHDQGANANCKL-HNNXBMFYSA-N 0 0 385.489 4.461 40 0 GIABRN Cc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)C4CCC4)C3)cc2)cc1 ZINC000019212340 207107191 /nfs/dbraw/zinc/10/71/91/207107191.db2.gz SVEZANUNDCYHDB-VWLOTQADSA-N 0 0 390.527 4.099 40 0 GIABRN Cc1noc(-c2cnc(C)nc2[C@H]2CCCN2C(=O)Cc2cccc(C)c2)c1C ZINC000019234702 207109668 /nfs/dbraw/zinc/10/96/68/207109668.db2.gz QHVXJDBPHFLHQU-HXUWFJFHSA-N 0 0 390.487 4.271 40 0 GIABRN Cc1cnccc1-c1cnc(C)nc1[C@@H]1CCCN1C(=O)c1cc(C(C)C)no1 ZINC000019239843 207111294 /nfs/dbraw/zinc/11/12/94/207111294.db2.gz BAHNEPJHMDUYTP-IBGZPJMESA-N 0 0 391.475 4.244 40 0 GIABRN COc1cccc2c1cc(C(=O)N1CCC[C@H](c3cc4ncccc4[nH]3)C1)n2C ZINC000019289868 207112486 /nfs/dbraw/zinc/11/24/86/207112486.db2.gz HZCMNDXABJEAGM-HNNXBMFYSA-N 0 0 388.471 4.083 40 0 GIABRN O=C(CCCn1ccnc1)Nc1ccc(N2CCCCC2)c(C(F)(F)F)c1 ZINC000019293097 207114572 /nfs/dbraw/zinc/11/45/72/207114572.db2.gz RYWSQCQUPWREAA-UHFFFAOYSA-N 0 0 380.414 4.311 40 0 GIABRN Cn1ccnc1-c1nc(NCc2cccc(F)c2)ncc1-c1ccc(F)cc1 ZINC000019291707 207115516 /nfs/dbraw/zinc/11/55/16/207115516.db2.gz YSZBXJBCPFFINH-UHFFFAOYSA-N 0 0 377.398 4.434 40 0 GIABRN Cn1ccnc1-c1nc(NCc2cccc(F)c2)ncc1-c1cccc(F)c1 ZINC000019291709 207115570 /nfs/dbraw/zinc/11/55/70/207115570.db2.gz DGXWASBHEWLSFU-UHFFFAOYSA-N 0 0 377.398 4.434 40 0 GIABRN c1cnc(Oc2cccc(CN3[C@@H]4CC[C@H]3Cc3nc(C5CC5)ncc34)c2)nc1 ZINC000019331010 207116712 /nfs/dbraw/zinc/11/67/12/207116712.db2.gz CGEDTKKGQGYDJI-LAUBAEHRSA-N 0 0 385.471 4.198 40 0 GIABRN NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)CC2CCCC2)C1 ZINC000019333501 207116795 /nfs/dbraw/zinc/11/67/95/207116795.db2.gz BPDHZTSNJKWVOD-QHCPKHFHSA-N 0 0 396.556 4.242 40 0 GIABRN O=C(C[C@@H]1CCCCO1)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 ZINC000019341742 207116819 /nfs/dbraw/zinc/11/68/19/207116819.db2.gz DITFZAMMVBQQON-AWEZNQCLSA-N 0 0 395.425 4.247 40 0 GIABRN O=C(CCCOc1ccccc1F)N1CCC[C@@H]1c1n[nH]cc1-c1ccncc1 ZINC000019350270 207118203 /nfs/dbraw/zinc/11/82/03/207118203.db2.gz JJTXMCRLOFKTNR-LJQANCHMSA-N 0 0 394.450 4.134 40 0 GIABRN c1ccc(COc2ccccc2CN(Cc2ccccn2)C[C@@H]2CCCO2)nc1 ZINC000019348716 207118948 /nfs/dbraw/zinc/11/89/48/207118948.db2.gz BXEPGMRIABJDJJ-QHCPKHFHSA-N 0 0 389.499 4.237 40 0 GIABRN c1ccc(-c2cnc3c(c2)[C@@H](NC2CC2)n2nc(-c4ccncc4)nc2S3)cc1 ZINC000019374050 207119359 /nfs/dbraw/zinc/11/93/59/207119359.db2.gz NWPLIXNBSRFXGW-FQEVSTJZSA-N 0 0 398.495 4.166 40 0 GIABRN COc1ccccc1CC(=O)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1C ZINC000019239590 207111066 /nfs/dbraw/zinc/11/10/66/207111066.db2.gz WAPRHXNUILRUII-FQEVSTJZSA-N 0 0 390.487 4.085 40 0 GIABRN CC(C)c1nc2ccc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)cc2s1 ZINC000019453859 207123364 /nfs/dbraw/zinc/12/33/64/207123364.db2.gz ZRXFJBORURJIPC-UHFFFAOYSA-N 0 0 393.468 4.325 40 0 GIABRN C[C@@H]1Cc2cc(CCC(=O)N3CCC[C@@H](COc4ccccc4F)C3)ccc2O1 ZINC000019498113 207124716 /nfs/dbraw/zinc/12/47/16/207124716.db2.gz MAASJQQDZZNDRB-IEBWSBKVSA-N 0 0 397.490 4.399 40 0 GIABRN CCC(=O)N1CCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000019498784 207124790 /nfs/dbraw/zinc/12/47/90/207124790.db2.gz KQHQBOLAINMRJG-IBGZPJMESA-N 0 0 391.450 4.495 40 0 GIABRN CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@@H](c2cc3ncccc3cn2)C1 ZINC000019499383 207125448 /nfs/dbraw/zinc/12/54/48/207125448.db2.gz PHMACDUSMQPJLY-UTKZUKDTSA-N 0 0 393.462 4.333 40 0 GIABRN CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3Cc3ccncc3)cc2n1 ZINC000019522349 207126324 /nfs/dbraw/zinc/12/63/24/207126324.db2.gz PZCMSWDTSMWHRE-INIZCTEOSA-N 0 0 375.398 4.043 40 0 GIABRN CCc1cc(C(=O)N2CCC(c3nnc(-c4ccc(C)nc4)o3)CC2)cs1 ZINC000019522116 207126901 /nfs/dbraw/zinc/12/69/01/207126901.db2.gz WQCGYELMBKDOJC-UHFFFAOYSA-N 0 0 382.489 4.084 40 0 GIABRN CCCC(=O)N1CCC[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)NC)C1 ZINC000019501203 207127221 /nfs/dbraw/zinc/12/72/21/207127221.db2.gz GSLPLUBCJKWSNA-JOCHJYFZSA-N 0 0 384.545 4.113 40 0 GIABRN CCCNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)CC)C1 ZINC000019503589 207127245 /nfs/dbraw/zinc/12/72/45/207127245.db2.gz KHQNRKJIKVGHGG-RUZDIDTESA-N 0 0 392.543 4.359 40 0 GIABRN CCC[C@@H](C(=O)NCC1(c2cccc(C)c2)CCOCC1)n1nc(C)cc1C ZINC000019501820 207127656 /nfs/dbraw/zinc/12/76/56/207127656.db2.gz UAEQLWVWHACCTL-NRFANRHFSA-N 0 0 383.536 4.014 40 0 GIABRN CCOc1ccc(CC(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2ccncc2)cc1 ZINC000019532948 207130458 /nfs/dbraw/zinc/13/04/58/207130458.db2.gz FDEUHMRBCJTWMW-OAQYLSRUSA-N 0 0 390.487 4.167 40 0 GIABRN CCN1CCN(C(=O)C2CCC2)C[C@H](Cc2ccccc2-c2cccs2)C1=O ZINC000019527725 207130528 /nfs/dbraw/zinc/13/05/28/207130528.db2.gz CTZXVCGLUYVOQF-IBGZPJMESA-N 0 0 396.556 4.065 40 0 GIABRN C[C@@H]1C[C@@H]1C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)CC1 ZINC000019462786 207123115 /nfs/dbraw/zinc/12/31/15/207123115.db2.gz DICOWUPBXIEKSO-SYAUCNOPSA-N 0 0 394.510 4.066 40 0 GIABRN COc1ccc2[nH]cc(C(=O)N3CCC[C@H]3c3ccc(OC)cc3OC)c2c1 ZINC000019563156 207133943 /nfs/dbraw/zinc/13/39/43/207133943.db2.gz AQDIEGZLCBQWCO-FQEVSTJZSA-N 0 0 380.444 4.171 40 0 GIABRN COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NC(=O)CCc2cccnc2)cc1OC ZINC000019561373 207133982 /nfs/dbraw/zinc/13/39/82/207133982.db2.gz NXIMRGNMTGBKIG-PLWWPAAYSA-N 0 0 394.515 4.120 40 0 GIABRN COc1ccccc1[C@@H]1N[C@H](c2ccccn2)Cc2cc(OC)c(OC)cc21 ZINC000019571520 207135930 /nfs/dbraw/zinc/13/59/30/207135930.db2.gz QBUMGPPTFPMLKD-CVDCTZTESA-N 0 0 376.456 4.084 40 0 GIABRN Cc1nn(-c2ccccc2)c2nc3c(cc12)CN(CCc1cccs1)C(=O)O3 ZINC000019565712 207136585 /nfs/dbraw/zinc/13/65/85/207136585.db2.gz FQQZVXICDVQEEA-UHFFFAOYSA-N 0 0 390.468 4.348 40 0 GIABRN C[C@@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)c1ccc(F)cc1F ZINC000019574269 207137419 /nfs/dbraw/zinc/13/74/19/207137419.db2.gz DOZQBADYTKEQBV-JTQLQIEISA-N 0 0 383.320 4.152 40 0 GIABRN Cc1cc(C)n([C@@H](C)CC(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)n1 ZINC000019573154 207137820 /nfs/dbraw/zinc/13/78/20/207137820.db2.gz IRZHSXUPNCUNRM-AWEZNQCLSA-N 0 0 382.489 4.148 40 0 GIABRN COc1cccc(CN2CCCC[C@@H]2c2[nH]ncc2-c2onc(C)c2C)c1OC ZINC000019557988 207131783 /nfs/dbraw/zinc/13/17/83/207131783.db2.gz OMFLYZHFUFNUTJ-GOSISDBHSA-N 0 0 396.491 4.426 40 0 GIABRN COc1ccc(CN2CCCC[C@H]2c2[nH]ncc2-c2onc(C)c2C)cc1OC ZINC000019557938 207131864 /nfs/dbraw/zinc/13/18/64/207131864.db2.gz FYAWMAFCFFDIMY-SFHVURJKSA-N 0 0 396.491 4.426 40 0 GIABRN COc1ccccc1C(=O)N1CCCC[C@H]1c1[nH]ncc1-c1onc(C)c1C ZINC000019557903 207131998 /nfs/dbraw/zinc/13/19/98/207131998.db2.gz UJBXOWVNVBUIDC-KRWDZBQOSA-N 0 0 380.448 4.058 40 0 GIABRN COc1ccc(C(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)c(OC)c1 ZINC000019551910 207132673 /nfs/dbraw/zinc/13/26/73/207132673.db2.gz QMEVSULUUPTAKH-SFHVURJKSA-N 0 0 376.456 4.272 40 0 GIABRN Cc1c(-c2cc(C(=O)Nc3ccc4nc(C(C)C)sc4c3)on2)cnn1C ZINC000019554255 207132984 /nfs/dbraw/zinc/13/29/84/207132984.db2.gz QIMJGHSFPNQZCA-UHFFFAOYSA-N 0 0 381.461 4.369 40 0 GIABRN Cc1c(-c2csc(NC(=O)c3cc(-c4ccc(C)cc4)on3)n2)cnn1C ZINC000019665381 207147355 /nfs/dbraw/zinc/14/73/55/207147355.db2.gz GQRFRCLVZWOSJM-UHFFFAOYSA-N 0 0 379.445 4.068 40 0 GIABRN COCc1c(C)onc1C(=O)Nc1nc(-c2cccc(Cl)c2)c(C)s1 ZINC000019666824 207147690 /nfs/dbraw/zinc/14/76/90/207147690.db2.gz YBFWDYQTMGVJBX-UHFFFAOYSA-N 0 0 377.853 4.467 40 0 GIABRN Cn1cc(-c2ccc([C@@H]3CCCN3C(=O)c3cccc4cccnc43)nc2)cn1 ZINC000019691748 207148170 /nfs/dbraw/zinc/14/81/70/207148170.db2.gz KUNVTMDPHUTGHW-NRFANRHFSA-N 0 0 383.455 4.008 40 0 GIABRN O=C(CN1CCC[C@H](c2ccc(-c3ccccn3)cn2)C1)Nc1ccc(F)cc1 ZINC000019688672 207148366 /nfs/dbraw/zinc/14/83/66/207148366.db2.gz JORFGIKYBDLKFP-SFHVURJKSA-N 0 0 390.462 4.101 40 0 GIABRN COc1ccccc1Cc1cc(C)nc(C2CCN(Cc3ncc[nH]3)CC2)c1 ZINC000019691886 207148795 /nfs/dbraw/zinc/14/87/95/207148795.db2.gz VOEPNJOJTHOHJZ-UHFFFAOYSA-N 0 0 376.504 4.092 40 0 GIABRN Cc1cc(Cc2cccc(F)c2)cc(C2CCN(C(=O)C[C@H]3CCCO3)CC2)n1 ZINC000019691870 207148856 /nfs/dbraw/zinc/14/88/56/207148856.db2.gz QUPQTPVFCDRUQG-JOCHJYFZSA-N 0 0 396.506 4.395 40 0 GIABRN Cc1onc(C(C)C)c1C(=O)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 ZINC000019579566 207140266 /nfs/dbraw/zinc/14/02/66/207140266.db2.gz OEWHKMDJIILQBQ-CYBMUJFWSA-N 0 0 386.477 4.238 40 0 GIABRN CC[C@@H](NC(=O)c1ccc(-n2nc(C)cc2C)cc1)c1c(C)nn(CC)c1C ZINC000019656091 207145024 /nfs/dbraw/zinc/14/50/24/207145024.db2.gz IWXGWZSHBQCEIY-HXUWFJFHSA-N 0 0 379.508 4.203 40 0 GIABRN COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc3ncccc3c2)cc1OC ZINC000019658075 207146089 /nfs/dbraw/zinc/14/60/89/207146089.db2.gz UMZAMUYRQCXNJT-FQEVSTJZSA-N 0 0 391.471 4.028 40 0 GIABRN COc1ccc([C@H]2CCCN2CC(=O)Nc2ccc3ncccc3c2)cc1OC ZINC000019658077 207146215 /nfs/dbraw/zinc/14/62/15/207146215.db2.gz UMZAMUYRQCXNJT-HXUWFJFHSA-N 0 0 391.471 4.028 40 0 GIABRN Cc1cccc(-c2noc([C@@H](C)NC(=O)c3cc(-c4ccc(F)cc4)no3)n2)c1 ZINC000019655946 207146316 /nfs/dbraw/zinc/14/63/16/207146316.db2.gz JYKZNSKKYCYICE-CYBMUJFWSA-N 0 0 392.390 4.330 40 0 GIABRN COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)c2cc(C)c3ccccc3n2)cc1 ZINC000019660816 207147056 /nfs/dbraw/zinc/14/70/56/207147056.db2.gz OMFCZSIVAHENNH-QHCPKHFHSA-N 0 0 398.466 4.063 40 0 GIABRN Cc1ccc(-c2cc(C(=O)N[C@H](C)c3nc(-c4cccc(C)c4)no3)[nH]n2)cc1 ZINC000019666501 207147086 /nfs/dbraw/zinc/14/70/86/207147086.db2.gz YJMSRMPJRSEWLM-OAHLLOKOSA-N 0 0 387.443 4.235 40 0 GIABRN COc1ccc2[nH]c(C(=O)Nc3cccc(C(=O)N4CCCC4)c3C)c(C)c2c1 ZINC000019714855 207153020 /nfs/dbraw/zinc/15/30/20/207153020.db2.gz MPSDKHSUOYRWBG-UHFFFAOYSA-N 0 0 391.471 4.282 40 0 GIABRN Cc1c([C@H](C)NC(=O)c2cc(-c3ccccn3)nc3c(C)cccc23)cnn1C ZINC000019716682 207153474 /nfs/dbraw/zinc/15/34/74/207153474.db2.gz FQDCYELOJRILCK-HNNXBMFYSA-N 0 0 385.471 4.138 40 0 GIABRN Cn1c2ccccc2nc1[C@H]1CCCN(C(=O)C(C)(C)c2cccc(F)c2)C1 ZINC000019718517 207155200 /nfs/dbraw/zinc/15/52/00/207155200.db2.gz WFEXVMNIZBMLFI-INIZCTEOSA-N 0 0 379.479 4.396 40 0 GIABRN Cc1nccn1[C@@H](C(=O)NCc1cccc(N2CCCCC2)c1)c1ccccc1 ZINC000019718830 207155467 /nfs/dbraw/zinc/15/54/67/207155467.db2.gz UWHBDEDFJARLCQ-HSZRJFAPSA-N 0 0 388.515 4.088 40 0 GIABRN CC(C)c1nc2ccccc2n1[C@@H](C)C(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000019718190 207156161 /nfs/dbraw/zinc/15/61/61/207156161.db2.gz HRGINZFWHGYDHW-ZDUSSCGKSA-N 0 0 394.504 4.216 40 0 GIABRN COc1ccc(Cl)cc1NC(=O)c1nnc2c(-c3ccccc3)cnn2c1C ZINC000019817066 207165062 /nfs/dbraw/zinc/16/50/62/207165062.db2.gz GLEXYFIVPMUKNS-UHFFFAOYSA-N 0 0 393.834 4.014 40 0 GIABRN Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(Br)cc2)c(C)c1 ZINC000020029790 207174735 /nfs/dbraw/zinc/17/47/35/207174735.db2.gz KVSCWZCKNUGLFN-CQSZACIVSA-N 0 0 382.323 4.414 40 0 GIABRN CC[C@H](Oc1cccc(C)c1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020036840 207174868 /nfs/dbraw/zinc/17/48/68/207174868.db2.gz MGAGILADFMERHC-UJVYDMDKSA-N 0 0 378.516 4.010 40 0 GIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020038686 207175267 /nfs/dbraw/zinc/17/52/67/207175267.db2.gz NJSBYTDBGQPFMT-OGECGYFKSA-N 0 0 398.934 4.355 40 0 GIABRN CCC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000020050073 207175647 /nfs/dbraw/zinc/17/56/47/207175647.db2.gz HFTKIRYTBHTMFH-AWEZNQCLSA-N 0 0 394.924 4.368 40 0 GIABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000020048473 207176308 /nfs/dbraw/zinc/17/63/08/207176308.db2.gz KQXPRHQJTPBCKS-JOCHJYFZSA-N 0 0 380.532 4.426 40 0 GIABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 ZINC000020049166 207176412 /nfs/dbraw/zinc/17/64/12/207176412.db2.gz RVPGVOOXGDUPQK-INIZCTEOSA-N 0 0 398.528 4.441 40 0 GIABRN CCOc1ccc(CCCNC(=O)CSCc2ccc(F)cc2)cc1OC ZINC000020047703 207176481 /nfs/dbraw/zinc/17/64/81/207176481.db2.gz SISGAPRDFBOCOQ-UHFFFAOYSA-N 0 0 391.508 4.215 40 0 GIABRN CC(C)C[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccccc1 ZINC000020050091 207176523 /nfs/dbraw/zinc/17/65/23/207176523.db2.gz LQLFGYZVCWQBGB-GOSISDBHSA-N 0 0 394.924 4.229 40 0 GIABRN COc1ccc(S[C@@H](C)C(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1 ZINC000020044883 207176616 /nfs/dbraw/zinc/17/66/16/207176616.db2.gz GKKOVRIXYLMJFL-HNNXBMFYSA-N 0 0 389.517 4.288 40 0 GIABRN CN(C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)C1CCCC1 ZINC000020104193 207176811 /nfs/dbraw/zinc/17/68/11/207176811.db2.gz VPGZRCOJYBQUCW-OAQYLSRUSA-N 0 0 384.501 4.068 40 0 GIABRN COc1ccc([C@@H](C)NC(=O)CCCOc2ccc(Cl)cc2)cc1OC ZINC000020105541 207177441 /nfs/dbraw/zinc/17/74/41/207177441.db2.gz GZMMPISHQIACEN-CQSZACIVSA-N 0 0 377.868 4.394 40 0 GIABRN COc1ccc(NC(=O)c2ccc(Br)o2)cc1-c1ccc(CO)o1 ZINC000020139790 207178866 /nfs/dbraw/zinc/17/88/66/207178866.db2.gz QBSNFCNDRHQZHY-UHFFFAOYSA-N 0 0 392.205 4.055 40 0 GIABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000020040661 207174387 /nfs/dbraw/zinc/17/43/87/207174387.db2.gz KVSLQWWMDXXFBT-HXUWFJFHSA-N 0 0 390.886 4.294 40 0 GIABRN Cc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(Br)cc2)c(C)c1 ZINC000020038674 207174546 /nfs/dbraw/zinc/17/45/46/207174546.db2.gz KESDXNACFPXJCD-AWEZNQCLSA-N 0 0 382.323 4.247 40 0 GIABRN COc1ccc([C@@H](C)NC(=O)c2sc(-c3cccnc3)nc2C)cc1OC ZINC000020030095 207174647 /nfs/dbraw/zinc/17/46/47/207174647.db2.gz NIUZJRZCEHMGBD-GFCCVEGCSA-N 0 0 383.473 4.022 40 0 GIABRN COc1ccc(/C=C/C(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)cc1 ZINC000020145172 207180801 /nfs/dbraw/zinc/18/08/01/207180801.db2.gz JZXKHLHDFCVFHO-LFYBBSHMSA-N 0 0 379.412 4.108 40 0 GIABRN C[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)C1 ZINC000020487821 207197557 /nfs/dbraw/zinc/19/75/57/207197557.db2.gz RCGFYVQMAWBWKQ-AWEZNQCLSA-N 0 0 392.908 4.013 40 0 GIABRN Clc1ccccc1CNC1(Cc2cc(COc3ccccc3)on2)COC1 ZINC000067898143 207190031 /nfs/dbraw/zinc/19/00/31/207190031.db2.gz RAJORCVCIHVHPY-UHFFFAOYSA-N 0 0 384.863 4.008 40 0 biogenic,in-vitro GIABRN CCOc1ccc(CCC(=O)Nc2cc(C(=O)OC)ccc2C)cc1OCC ZINC000020451303 207193713 /nfs/dbraw/zinc/19/37/13/207193713.db2.gz IKCMKUAMHHOWAM-UHFFFAOYSA-N 0 0 385.460 4.150 40 0 GIABRN CCOc1ccc(CCC(=O)NCCCc2cccc(OC)c2)cc1OCC ZINC000020457073 207194479 /nfs/dbraw/zinc/19/44/79/207194479.db2.gz OQWAVTIGBLRKKB-UHFFFAOYSA-N 0 0 385.504 4.174 40 0 GIABRN Cc1nccn1-c1ccc(CNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 ZINC000020457841 207194705 /nfs/dbraw/zinc/19/47/05/207194705.db2.gz OLHIABIVHHIUEF-SFHVURJKSA-N 0 0 377.488 4.190 40 0 GIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)CC ZINC000020456507 207195380 /nfs/dbraw/zinc/19/53/80/207195380.db2.gz GYTNGTRHARALNX-MGPUTAFESA-N 0 0 384.476 4.020 40 0 GIABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000020461394 207195857 /nfs/dbraw/zinc/19/58/57/207195857.db2.gz ZWVNMFBNUUPIBY-NRFANRHFSA-N 0 0 380.488 4.336 40 0 GIABRN CC[C@H](NC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1)c1ccc(OC)cc1 ZINC000020488732 207197293 /nfs/dbraw/zinc/19/72/93/207197293.db2.gz MQKSOGCKCGNULJ-KSSFIOAISA-N 0 0 389.517 4.461 40 0 GIABRN CCc1ccc(-n2nc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3n2)cc1 ZINC000020610151 207207080 /nfs/dbraw/zinc/20/70/80/207207080.db2.gz ZHKZKEXKXORXKN-UHFFFAOYSA-N 0 0 392.484 4.092 40 0 GIABRN O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1cccc(Cl)c1Cl ZINC000020609568 207208041 /nfs/dbraw/zinc/20/80/41/207208041.db2.gz IOCUICZYFFOOLX-UHFFFAOYSA-N 0 0 390.255 4.412 40 0 GIABRN COc1ccccc1[C@@H]1CC(=O)c2cn3nc(-c4ccc(C)cc4)nc3nc2C1 ZINC000020796512 207214960 /nfs/dbraw/zinc/21/49/60/207214960.db2.gz AHENRVNMRSKMBE-INIZCTEOSA-N 0 0 384.439 4.021 40 0 GIABRN CCOc1cccc2c(C)nc(Nc3nc(C)c(CCC(C)C)c(=O)[nH]3)nc12 ZINC000020673180 207210730 /nfs/dbraw/zinc/21/07/30/207210730.db2.gz KPJGARAOPLYVGW-UHFFFAOYSA-N 0 0 381.480 4.061 40 0 GIABRN CCCCN1c2nc3ccccc3n2[C@@H]([C@H]2CC=CCC2)[C@@H](C(=O)OCC)C1=O ZINC000020675276 207211205 /nfs/dbraw/zinc/21/12/05/207211205.db2.gz IXIAVJMBTOLWCN-DBVUQKKJSA-N 0 0 395.503 4.260 40 0 GIABRN C[C@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000021905963 207241604 /nfs/dbraw/zinc/24/16/04/207241604.db2.gz STFAPKTZSQYIQF-QGZVFWFLSA-N 0 0 394.496 4.021 40 0 GIABRN Cn1cc(C(=O)NC(c2ccccc2)c2ccccc2)c(=O)c2cc(F)ccc21 ZINC000022236519 207249899 /nfs/dbraw/zinc/24/98/99/207249899.db2.gz YFFIHTMTUXWZKV-UHFFFAOYSA-N 0 0 386.426 4.197 40 0 GIABRN CCn1cc(C(=O)N(C)Cc2ccccc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236873 207250024 /nfs/dbraw/zinc/25/00/24/207250024.db2.gz ANBXWGFLJARDFP-UHFFFAOYSA-N 0 0 388.389 4.312 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000022257117 207251301 /nfs/dbraw/zinc/25/13/01/207251301.db2.gz VEEVCIKFISPJMM-UHFFFAOYSA-N 0 0 391.518 4.132 40 0 GIABRN CC(C)c1ccccc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000022391243 207253865 /nfs/dbraw/zinc/25/38/65/207253865.db2.gz RQACILHDPREEMF-UHFFFAOYSA-N 0 0 388.533 4.338 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1F ZINC000022509359 207254581 /nfs/dbraw/zinc/25/45/81/207254581.db2.gz SVWAUBVVNMTCCU-NRFANRHFSA-N 0 0 385.460 4.211 40 0 GIABRN CCOc1ccc(CNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1OCC ZINC000022526198 207254876 /nfs/dbraw/zinc/25/48/76/207254876.db2.gz XCNYWQXLZCSOHO-GOSISDBHSA-N 0 0 385.504 4.493 40 0 GIABRN CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1-n1ccnc1C ZINC000022525297 207255291 /nfs/dbraw/zinc/25/52/91/207255291.db2.gz XFQFZICIDPTJCG-IBGZPJMESA-N 0 0 383.879 4.308 40 0 GIABRN Cc1nccn1-c1ccc(CNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 ZINC000022510368 207255442 /nfs/dbraw/zinc/25/54/42/207255442.db2.gz QXKGAKMTXYIGPN-KRWDZBQOSA-N 0 0 385.467 4.418 40 0 GIABRN COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000022515062 207255783 /nfs/dbraw/zinc/25/57/83/207255783.db2.gz UPRYZFPALXAYOU-SFHVURJKSA-N 0 0 397.924 4.423 40 0 GIABRN COc1ccc(-c2cs/c(=N\c3cccc(C)c3C)n2N2CCOCC2)cc1 ZINC000022761831 207261292 /nfs/dbraw/zinc/26/12/92/207261292.db2.gz VQYCCNCRGXVORX-FCQUAONHSA-N 0 0 395.528 4.043 40 0 GIABRN Cc1sc2nc(-c3cccs3)nc(NCCCN3CCOCC3)c2c1C ZINC000025572212 207304292 /nfs/dbraw/zinc/30/42/92/207304292.db2.gz DHEYYWCMKOFLHL-UHFFFAOYSA-N 0 0 388.562 4.171 40 0 GIABRN CCCCOc1ccc(S(=O)(=O)NCc2ccccn2)cc1C(C)(C)C ZINC000027823501 207331998 /nfs/dbraw/zinc/33/19/98/207331998.db2.gz JEXKARKBVIQTOI-UHFFFAOYSA-N 0 0 376.522 4.037 40 0 GIABRN Nc1c(C(=O)Nc2ccc(F)cc2)c2ccccc2n1C(=O)c1cccs1 ZINC000028535390 207343249 /nfs/dbraw/zinc/34/32/49/207343249.db2.gz NIVYVLXAWJFHKE-UHFFFAOYSA-N 0 0 379.416 4.365 40 0 GIABRN Cc1ccc(C)c(C(=O)Cn2nc(N)n(Nc3ccc(Cl)cc3)c2=S)c1 ZINC000028527660 207343392 /nfs/dbraw/zinc/34/33/92/207343392.db2.gz SXWMCRMTXMLLIJ-UHFFFAOYSA-N 0 0 387.896 4.025 40 0 GIABRN CC(C)Oc1ccc(CNC(=O)c2ccc(I)cc2)cc1 ZINC000030755407 207373595 /nfs/dbraw/zinc/37/35/95/207373595.db2.gz UZZLJLBKYGHUSK-UHFFFAOYSA-N 0 0 395.240 4.008 40 0 GIABRN CCOC(=O)c1ccc(NS(=O)(=O)Cc2cccc(Cl)c2)c(Cl)c1 ZINC000030756851 207373429 /nfs/dbraw/zinc/37/34/29/207373429.db2.gz HRFGSSQDYQLQQT-UHFFFAOYSA-N 0 0 388.272 4.112 40 0 GIABRN Cc1nccn1-c1ccccc1CNC(=O)CSCc1ccc(Cl)cc1 ZINC000030757407 207373732 /nfs/dbraw/zinc/37/37/32/207373732.db2.gz CSQBGSIWOJVVTH-UHFFFAOYSA-N 0 0 385.920 4.384 40 0 GIABRN Cc1nccn1-c1ccc(CNC(=O)CCCOc2ccc(Cl)cc2)cc1 ZINC000030855981 207375334 /nfs/dbraw/zinc/37/53/34/207375334.db2.gz SNZMDSRUKBWXLU-UHFFFAOYSA-N 0 0 383.879 4.310 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3cccc(C)c3)c2)cc1 ZINC000031058083 207380199 /nfs/dbraw/zinc/38/01/99/207380199.db2.gz IPOYKEWZNWBUIV-UHFFFAOYSA-N 0 0 394.496 4.034 40 0 GIABRN c1ccc2c(c1)N[C@@H]([C@@H]1O[C@H]3CCCN3[C@@H]1[C@@H]1Nc3ccccc3S1)S2 ZINC000031852378 207386176 /nfs/dbraw/zinc/38/61/76/207386176.db2.gz SKSITQFSDMBHNB-CENDIDJXSA-N 0 0 383.542 4.264 40 0 GIABRN CC[C@H]1[C@@H](N2CCCC2)Oc2cc3c(cc2[C@@H]1c1cccc(OC)c1O)OCO3 ZINC000031860824 207387303 /nfs/dbraw/zinc/38/73/03/207387303.db2.gz UWMPNVWZHCIJMI-ZGFCVWDJSA-N 0 0 397.471 4.102 40 0 GIABRN COc1ccc([C@@H](CC(=O)c2ccccc2)SCCN2CCOCC2)cc1 ZINC000031949292 207388390 /nfs/dbraw/zinc/38/83/90/207388390.db2.gz KWHNNNWHUCDZCS-JOCHJYFZSA-N 0 0 385.529 4.075 40 0 GIABRN CCOC(=O)[C@H]1[C@@H](c2ccccc2)N(C)O[C@@]1(c1ccccc1)C(F)(F)F ZINC000032069546 207389299 /nfs/dbraw/zinc/38/92/99/207389299.db2.gz GBGLXQDOGHCYJD-ZHALLVOQSA-N 0 0 379.378 4.242 40 0 GIABRN CCc1ccc(OCCCCn2c(CN3CCOCC3)nc3ccccc32)cc1 ZINC000031903413 207389492 /nfs/dbraw/zinc/38/94/92/207389492.db2.gz UMTYFOKZZZHNKA-UHFFFAOYSA-N 0 0 393.531 4.290 40 0 GIABRN Cc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000032101083 207391989 /nfs/dbraw/zinc/39/19/89/207391989.db2.gz XQVLKTZTYZUREY-KRWDZBQOSA-N 0 0 382.769 4.150 40 0 GIABRN Cc1ccc(CNC(=O)CSc2nnc(-c3ccc(F)cc3)n2C2CC2)cc1 ZINC000032604098 207399606 /nfs/dbraw/zinc/39/96/06/207399606.db2.gz KCYCVFHQOLHRGA-UHFFFAOYSA-N 0 0 396.491 4.136 40 0 GIABRN Cc1nc(-c2ccc(S(=O)(=O)N3C[C@H](C)c4ccccc43)s2)cs1 ZINC000032603724 207399856 /nfs/dbraw/zinc/39/98/56/207399856.db2.gz KOZXIHCBHVLJFT-NSHDSACASA-N 0 0 376.528 4.492 40 0 GIABRN COc1ccc(OC)c(N(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000408628347 532965468 /nfs/dbraw/zinc/96/54/68/532965468.db2.gz XKMLVKUKEXUHAQ-UHFFFAOYSA-N 0 0 397.496 4.408 40 0 GIABRN CC(C)OCCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038858603 207565449 /nfs/dbraw/zinc/56/54/49/207565449.db2.gz ITPVOPHDNXIFAK-INIZCTEOSA-N 0 0 387.351 4.137 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)CCCOc2ccc(OC)cc2)c(Cl)c1 ZINC000044839511 207638364 /nfs/dbraw/zinc/63/83/64/207638364.db2.gz GTFPFEUGCWMWHF-UHFFFAOYSA-N 0 0 391.851 4.323 40 0 GIABRN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c(OC)c1 ZINC000057192995 207749934 /nfs/dbraw/zinc/74/99/34/207749934.db2.gz HOLSGARZBHROIC-UHFFFAOYSA-N 0 0 375.852 4.044 40 0 GIABRN Cc1nnc(N2CC[C@H](c3c4ccccc4sc3C(N)=O)C2)c2ccccc12 ZINC000072352342 207999729 /nfs/dbraw/zinc/99/97/29/207999729.db2.gz KEUXNVQGIXUTBY-AWEZNQCLSA-N 0 0 388.496 4.246 40 0 GIABRN Cc1cc(C)nc(N2CC[C@@H](c3c4ccccc4sc3C(=O)NC(C)C)C2)n1 ZINC000072352411 208001325 /nfs/dbraw/zinc/00/13/25/208001325.db2.gz PJASIOPMAZNOOT-MRXNPFEDSA-N 0 0 394.544 4.440 40 0 GIABRN CCn1ccnc1CN1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 ZINC000072359818 208002733 /nfs/dbraw/zinc/00/27/33/208002733.db2.gz BCYFXHJCCHVITP-UHFFFAOYSA-N 0 0 381.911 4.393 40 0 GIABRN O=C(Cc1ccccc1)N1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072358631 208003335 /nfs/dbraw/zinc/00/33/35/208003335.db2.gz CYUJWINHRBWTNE-IBGZPJMESA-N 0 0 375.447 4.231 40 0 GIABRN O=C(Cc1ccncc1)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358843 208003642 /nfs/dbraw/zinc/00/36/42/208003642.db2.gz HJQAEZKDCDNFCR-GOSISDBHSA-N 0 0 392.890 4.141 40 0 GIABRN COc1cccc(Cc2cccc([C@H]3CCCN3C(=O)c3scnc3C)n2)c1 ZINC000072358084 208003925 /nfs/dbraw/zinc/00/39/25/208003925.db2.gz FXJQYWWLIATNNR-HXUWFJFHSA-N 0 0 393.512 4.423 40 0 GIABRN Cc1cc(Oc2ccc(F)cc2)nc([C@@H]2CCCN(C(=O)c3cscn3)C2)n1 ZINC000072362652 208004544 /nfs/dbraw/zinc/00/45/44/208004544.db2.gz IAVYPKPFQKBRJV-CQSZACIVSA-N 0 0 398.463 4.193 40 0 GIABRN CC(=O)N1CCCCC[C@H]1Cc1c2ccccc2sc1C(=O)N1CCCC1 ZINC000072370814 208007091 /nfs/dbraw/zinc/00/70/91/208007091.db2.gz BZGNSOYLYYYLHQ-KRWDZBQOSA-N 0 0 384.545 4.471 40 0 GIABRN O=C(COc1ccc(F)cc1)N1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000072375603 208007512 /nfs/dbraw/zinc/00/75/12/208007512.db2.gz OPENBUZGBBHDRE-KRWDZBQOSA-N 0 0 398.463 4.163 40 0 GIABRN O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cc(-c3cccs3)on2)C1 ZINC000072389604 208011904 /nfs/dbraw/zinc/01/19/04/208011904.db2.gz OCBDLHDSIRKIAM-AWEZNQCLSA-N 0 0 384.432 4.277 40 0 GIABRN Cc1c(C(=O)N2CCC(c3cccc(Oc4cccc(F)c4)n3)CC2)cnn1C ZINC000072384062 208012016 /nfs/dbraw/zinc/01/20/16/208012016.db2.gz VJFDLWVDOQDYEF-UHFFFAOYSA-N 0 0 394.450 4.075 40 0 GIABRN O=C(c1ccccc1)N1CCC[C@@H](c2nnc(-c3nccc4ccccc43)o2)C1 ZINC000072390110 208012070 /nfs/dbraw/zinc/01/20/70/208012070.db2.gz INPVWHCLSVOVEY-GOSISDBHSA-N 0 0 384.439 4.305 40 0 GIABRN Cc1nccn1-c1cccc([C@H]2CCCN(C(=O)CCCc3ccccc3)C2)n1 ZINC000072378990 208012760 /nfs/dbraw/zinc/01/27/60/208012760.db2.gz OROLQUONECKOOI-NRFANRHFSA-N 0 0 388.515 4.305 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@H]2c2cncc(Oc3ccc(F)cc3)n2)s1 ZINC000072383999 208012844 /nfs/dbraw/zinc/01/28/44/208012844.db2.gz ZVHBCBYKQKBGTR-KRWDZBQOSA-N 0 0 398.463 4.459 40 0 GIABRN c1ccc(-c2cnc3c(c2)[C@H](NC2CC2)n2nc(-c4cccnc4)nc2S3)cc1 ZINC000072396309 208014160 /nfs/dbraw/zinc/01/41/60/208014160.db2.gz CJGUOVOAPNKZNW-HXUWFJFHSA-N 0 0 398.495 4.166 40 0 GIABRN COc1ccc(CCNc2ncc(-c3cnccn3)c(-c3ccoc3C)n2)cc1 ZINC000072396874 208014876 /nfs/dbraw/zinc/01/48/76/208014876.db2.gz PFPFPUMNJOSODT-UHFFFAOYSA-N 0 0 387.443 4.165 40 0 GIABRN Cc1ccc([C@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000095346075 208155603 /nfs/dbraw/zinc/15/56/03/208155603.db2.gz QAVZKQOYKJVIKK-VJBWXMMDSA-N 0 0 398.462 4.355 40 0 GIABRN COc1ccc(Br)c(CO)c1OCc1c(F)cccc1Cl ZINC000095095096 208156006 /nfs/dbraw/zinc/15/60/06/208156006.db2.gz NJOYAQSYEBOGEN-UHFFFAOYSA-N 0 0 375.621 4.322 40 0 GIABRN COc1cccc(NC(=O)c2ccc3nnc4nc(C)n(C(C)C)c4c3c2)c1 ZINC000096146661 208273299 /nfs/dbraw/zinc/27/32/99/208273299.db2.gz QDSZQIMATXQIMZ-UHFFFAOYSA-N 0 0 375.432 4.130 40 0 GIABRN CC(=O)N1CCC2(CCCN(C(=O)c3ccc(-c4cccs4)cc3)C2)CC1 ZINC000096156885 208278146 /nfs/dbraw/zinc/27/81/46/208278146.db2.gz VQQSUVFQBUKVKM-UHFFFAOYSA-N 0 0 382.529 4.280 40 0 GIABRN O=C(Nc1cccnc1)c1ccn(-c2ccc3ccc(-c4ccccc4)cn32)n1 ZINC000096155327 208278499 /nfs/dbraw/zinc/27/84/99/208278499.db2.gz JHKWDEBJKYEHDH-UHFFFAOYSA-N 0 0 379.423 4.439 40 0 GIABRN O=C(NCCc1ccccn1)c1cc(-c2ccnn2C2CCCC2)n2ccccc12 ZINC000096154786 208279124 /nfs/dbraw/zinc/27/91/24/208279124.db2.gz LSAQUWOLFVPBLK-UHFFFAOYSA-N 0 0 399.498 4.285 40 0 GIABRN O=C(C[C@@H]1CC2(CCN(C(=O)c3cccs3)CC2)c2ccccc21)NC1CC1 ZINC000096053011 208258892 /nfs/dbraw/zinc/25/88/92/208258892.db2.gz YRHUOYUARXGVAA-MRXNPFEDSA-N 0 0 394.540 4.078 40 0 GIABRN c1csc(CN2CCC[C@@H]2c2nnn3cc(NCc4ccccc4)ccc23)n1 ZINC000096267943 208300521 /nfs/dbraw/zinc/30/05/21/208300521.db2.gz NZEFLKZRYBZWRI-GOSISDBHSA-N 0 0 390.516 4.135 40 0 GIABRN Cc1ccc(C(=O)[C@@H](C)Oc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1 ZINC000100637051 208378178 /nfs/dbraw/zinc/37/81/78/208378178.db2.gz KHBTXMRNMPYDIX-CZAAIQMYSA-N 0 0 389.451 4.101 40 0 GIABRN C[C@@H](NC(=O)CC1CCCCC1)c1cc(=O)n2nc(-c3cccs3)cc2[nH]1 ZINC000100730003 208379184 /nfs/dbraw/zinc/37/91/84/208379184.db2.gz NWYZKJNWQGDSJS-CYBMUJFWSA-N 0 0 384.505 4.311 40 0 GIABRN COc1ccc([C@H]2CC(=O)[C@H]3C(C)=Nc4ccccc4N[C@H]3C2)c(OC)c1OC ZINC000100855765 208383043 /nfs/dbraw/zinc/38/30/43/208383043.db2.gz FNGFKBLYDOQYFO-IBZMOEQTSA-N 0 0 394.471 4.362 40 0 GIABRN CCc1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)no1 ZINC000100156260 208374563 /nfs/dbraw/zinc/37/45/63/208374563.db2.gz MWXBQSKHZCYBMF-BETUJISGSA-N 0 0 386.477 4.052 40 0 GIABRN COc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)c(Cl)c1Cl ZINC000408619162 533056277 /nfs/dbraw/zinc/05/62/77/533056277.db2.gz MSBVUQQTXGMCJK-UHFFFAOYSA-N 0 0 390.332 4.249 40 0 GIABRN Cn1c(SCC(=O)N2c3ccccc3CCc3ccccc32)nnc1C1CC1 ZINC000001364648 208496210 /nfs/dbraw/zinc/49/62/10/208496210.db2.gz DSFMQVOLYTWITD-UHFFFAOYSA-N 0 0 390.512 4.248 40 0 GIABRN CC1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)CC1 ZINC000000918417 208486996 /nfs/dbraw/zinc/48/69/96/208486996.db2.gz DUGNMHWHPQAWIA-DOMZBBRYSA-N 0 0 382.386 4.009 40 0 GIABRN O=C(c1cccc(Cl)c1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1 ZINC000001359048 208493425 /nfs/dbraw/zinc/49/34/25/208493425.db2.gz VFIMPISHUYXGHF-UHFFFAOYSA-N 0 0 381.863 4.162 40 0 GIABRN COc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000001379620 208497884 /nfs/dbraw/zinc/49/78/84/208497884.db2.gz VOMVCJIBZDKGRZ-QGZVFWFLSA-N 0 0 387.867 4.292 40 0 GIABRN Cc1cccc(C(=O)N(Cc2cc3cccc(C)c3n3nnnc23)C2CCCC2)c1 ZINC000001376727 208498081 /nfs/dbraw/zinc/49/80/81/208498081.db2.gz KBLDSKYOCYHPGM-UHFFFAOYSA-N 0 0 399.498 4.479 40 0 GIABRN Cc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)NCCc2ccccc2)cc1 ZINC000003055495 208506215 /nfs/dbraw/zinc/50/62/15/208506215.db2.gz HPKCDMXQZZMVCA-PTGBLXJZSA-N 0 0 384.479 4.125 40 0 GIABRN CCCCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccncc1 ZINC000004161384 208537461 /nfs/dbraw/zinc/53/74/61/208537461.db2.gz LBWOVQFYHIRCNR-UHFFFAOYSA-N 0 0 381.505 4.179 40 0 GIABRN COc1cc2cc3c(N)c(C(=O)N4CCCCCC4)sc3nc2cc1OC ZINC000004848868 208546160 /nfs/dbraw/zinc/54/61/60/208546160.db2.gz MORPHUOKWUWGGD-UHFFFAOYSA-N 0 0 385.489 4.065 40 0 GIABRN Cc1occc1-c1nnc(SCC(=O)N2CCCC2)n1-c1cccc(C)c1C ZINC000004851707 208546416 /nfs/dbraw/zinc/54/64/16/208546416.db2.gz MWTRPQZNUVEWSI-UHFFFAOYSA-N 0 0 396.516 4.167 40 0 GIABRN Cc1ccc(CN(Cc2cc3cc(C)ccc3n3nnnc23)C(=O)C2CCC2)cc1 ZINC000004879047 208546444 /nfs/dbraw/zinc/54/64/44/208546444.db2.gz MZHQWQXSSWXPKB-UHFFFAOYSA-N 0 0 399.498 4.223 40 0 GIABRN COc1ccc(CNC(=O)c2cc3ccccc3n2CC(=O)c2ccccc2)cc1 ZINC000004932273 208546962 /nfs/dbraw/zinc/54/69/62/208546962.db2.gz ZHUMRXHAUBSOHA-UHFFFAOYSA-N 0 0 398.462 4.463 40 0 GIABRN COc1ccc([C@H](C)NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000004965344 208662424 /nfs/dbraw/zinc/66/24/24/208662424.db2.gz MMRGLXMTJGQDSA-HNNXBMFYSA-N 0 0 395.528 4.399 40 0 GIABRN COc1cccc([C@@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)c1 ZINC000006679177 208682180 /nfs/dbraw/zinc/68/21/80/208682180.db2.gz PYDDQNXLVTYWPI-YJYMSZOUSA-N 0 0 397.475 4.492 40 0 GIABRN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)cs2)cc1 ZINC000006681092 208682607 /nfs/dbraw/zinc/68/26/07/208682607.db2.gz BCYMMEGMMNDEEP-UHFFFAOYSA-N 0 0 386.498 4.134 40 0 GIABRN Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cs2)c(C)c1 ZINC000006680489 208682996 /nfs/dbraw/zinc/68/29/96/208682996.db2.gz NXDSTLDWTPFLQM-UHFFFAOYSA-N 0 0 392.546 4.100 40 0 GIABRN Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1S(=O)(=O)N1CCCCC1 ZINC000007406923 208724712 /nfs/dbraw/zinc/72/47/12/208724712.db2.gz IQNJICWVTBGHEF-UHFFFAOYSA-N 0 0 386.517 4.039 40 0 GIABRN COc1cc(C)c(NCc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1C(C)C ZINC000013561337 208784186 /nfs/dbraw/zinc/78/41/86/208784186.db2.gz PBRXFHPVRKLEKR-UHFFFAOYSA-N 0 0 394.471 4.352 40 0 GIABRN O=C(Nc1ccc(C(F)(F)F)cc1)N1[C@@H]2CC[C@H]1CC(O)(c1cccnc1)C2 ZINC000013563684 208784472 /nfs/dbraw/zinc/78/44/72/208784472.db2.gz UKZSOETWJXMJFB-JJTKIYQPSA-N 0 0 391.393 4.147 40 0 GIABRN Cc1cccc(NCN2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000018322656 208803740 /nfs/dbraw/zinc/80/37/40/208803740.db2.gz LYQNCTWKVIHXMI-ULBZPVTCSA-N 0 0 394.474 4.257 40 0 GIABRN CCOc1ccccc1CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000216314906 208822210 /nfs/dbraw/zinc/82/22/10/208822210.db2.gz ZFNVMORPDQTINB-UHFFFAOYSA-N 0 0 383.469 4.356 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1cc(C)ccc1C ZINC000219073257 208843615 /nfs/dbraw/zinc/84/36/15/208843615.db2.gz UECWTGIRYVPSPW-QFBILLFUSA-N 0 0 383.488 4.498 40 0 GIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219360265 208846117 /nfs/dbraw/zinc/84/61/17/208846117.db2.gz YBKNTIADHQUHBX-PMACEKPBSA-N 0 0 399.487 4.280 40 0 GIABRN COc1ccc(CCCNC(=O)c2cc3ccccc3cc2OC)cc1OC ZINC000219392776 208846413 /nfs/dbraw/zinc/84/64/13/208846413.db2.gz DHGPONHGLMEZHQ-UHFFFAOYSA-N 0 0 379.456 4.228 40 0 GIABRN CCCOc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 ZINC000218983504 208841372 /nfs/dbraw/zinc/84/13/72/208841372.db2.gz LHNBDTIAJVUGFH-UHFFFAOYSA-N 0 0 385.851 4.451 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1ccc(C)c(C)c1 ZINC000219523860 208848744 /nfs/dbraw/zinc/84/87/44/208848744.db2.gz IXKCUTIMUFOLAG-HNNXBMFYSA-N 0 0 385.489 4.231 40 0 GIABRN COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1OC(C)C ZINC000222572674 208877573 /nfs/dbraw/zinc/87/75/73/208877573.db2.gz BHGHHGMZLLCPLQ-PNHOKKKMSA-N 0 0 383.517 4.467 40 0 GIABRN COCCn1c(C)c(C)c([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C ZINC000222637918 208879135 /nfs/dbraw/zinc/87/91/35/208879135.db2.gz SVNXKYFPMAQUBX-QTJFZDIUSA-N 0 0 384.549 4.044 40 0 GIABRN COCCn1c(C)c(C)c([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C ZINC000222637776 208879313 /nfs/dbraw/zinc/87/93/13/208879313.db2.gz SVNXKYFPMAQUBX-CJMONDIMSA-N 0 0 384.549 4.044 40 0 GIABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 ZINC000222841090 208885586 /nfs/dbraw/zinc/88/55/86/208885586.db2.gz VLSZSVXGLNQSBP-VQTJNVASSA-N 0 0 380.492 4.392 40 0 GIABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 ZINC000222859252 208885618 /nfs/dbraw/zinc/88/56/18/208885618.db2.gz KKQYJAAQSKFJKI-KGLIPLIRSA-N 0 0 382.352 4.288 40 0 GIABRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)n1-c1cccnc1 ZINC000222912872 208887367 /nfs/dbraw/zinc/88/73/67/208887367.db2.gz KMQVSCNPIVYPPW-LEWJYISDSA-N 0 0 391.544 4.204 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223142984 208894982 /nfs/dbraw/zinc/89/49/82/208894982.db2.gz PTGMTCKCNQJTIL-OAQYLSRUSA-N 0 0 394.559 4.488 40 0 GIABRN COc1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)cc1C(C)C ZINC000223628084 208907505 /nfs/dbraw/zinc/90/75/05/208907505.db2.gz OXOFEFGYDQRASF-UHFFFAOYSA-N 0 0 399.512 4.329 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223672010 208908504 /nfs/dbraw/zinc/90/85/04/208908504.db2.gz HPKCMJCBCYLIRV-IBGZPJMESA-N 0 0 396.531 4.051 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1F ZINC000223654943 208909010 /nfs/dbraw/zinc/90/90/10/208909010.db2.gz JRXBECNAZKJEFJ-JOCHJYFZSA-N 0 0 398.522 4.400 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 ZINC000223816287 208911581 /nfs/dbraw/zinc/91/15/81/208911581.db2.gz VQQCMGTXNXUQJS-JOCHJYFZSA-N 0 0 398.522 4.400 40 0 GIABRN COc1ccc(CCCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1OC ZINC000223325914 208899695 /nfs/dbraw/zinc/89/96/95/208899695.db2.gz BJUKTJLNTZMIND-KRWDZBQOSA-N 0 0 397.515 4.099 40 0 GIABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C ZINC000223379880 208900481 /nfs/dbraw/zinc/90/04/81/208900481.db2.gz SLHYTNMPJUOOLP-LEWJYISDSA-N 0 0 376.529 4.210 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1C ZINC000223549305 208904649 /nfs/dbraw/zinc/90/46/49/208904649.db2.gz AOMTZPSJBQHYBL-LJQANCHMSA-N 0 0 398.572 4.090 40 0 GIABRN CCC[C@H](C)NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224272213 208922250 /nfs/dbraw/zinc/92/22/50/208922250.db2.gz PYHWNBLLZLLKSB-AWEZNQCLSA-N 0 0 394.924 4.084 40 0 GIABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCCOc1cccc(OC)c1 ZINC000224456635 208926607 /nfs/dbraw/zinc/92/66/07/208926607.db2.gz BXWAVNORUXGLES-NRFANRHFSA-N 0 0 379.456 4.201 40 0 GIABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2c(C)cccc2C)cc1 ZINC000224005891 208915906 /nfs/dbraw/zinc/91/59/06/208915906.db2.gz IMDKNVBQKSJPNW-ZHZULCJRSA-N 0 0 390.439 4.315 40 0 GIABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCC ZINC000224109080 208917609 /nfs/dbraw/zinc/91/76/09/208917609.db2.gz WHCGVJGRGIQCLM-JOCHJYFZSA-N 0 0 380.532 4.261 40 0 GIABRN Cc1cccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224146517 208919641 /nfs/dbraw/zinc/91/96/41/208919641.db2.gz ATWSQFMVMBLPQA-HXUWFJFHSA-N 0 0 380.532 4.117 40 0 GIABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000224121322 208919886 /nfs/dbraw/zinc/91/98/86/208919886.db2.gz SDJIUQAAMRARBQ-KRWDZBQOSA-N 0 0 392.499 4.207 40 0 GIABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 ZINC000224208320 208920749 /nfs/dbraw/zinc/92/07/49/208920749.db2.gz XJNUXCJTTAEAKS-QGZVFWFLSA-N 0 0 386.923 4.072 40 0 GIABRN CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1cccc(OC)c1 ZINC000224549286 208928389 /nfs/dbraw/zinc/92/83/89/208928389.db2.gz SYAJBQATUOVEPT-WOJBJXKFSA-N 0 0 378.501 4.089 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 ZINC000224668263 208931971 /nfs/dbraw/zinc/93/19/71/208931971.db2.gz UOXLZHPAUQQPGL-LJQANCHMSA-N 0 0 398.572 4.339 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1 ZINC000224668470 208932171 /nfs/dbraw/zinc/93/21/71/208932171.db2.gz HOUFCAXNGNTXNQ-LJQANCHMSA-N 0 0 398.572 4.172 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 ZINC000224740101 208932854 /nfs/dbraw/zinc/93/28/54/208932854.db2.gz QTHLSEDXEOCVMG-KRWDZBQOSA-N 0 0 386.923 4.134 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 ZINC000224868037 208936858 /nfs/dbraw/zinc/93/68/58/208936858.db2.gz YIPODFDWOUJREV-GOSISDBHSA-N 0 0 384.495 4.010 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 ZINC000224996051 208937393 /nfs/dbraw/zinc/93/73/93/208937393.db2.gz YGLDAONDXAUHLS-WOJBJXKFSA-N 0 0 396.531 4.178 40 0 GIABRN CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225104835 208941631 /nfs/dbraw/zinc/94/16/31/208941631.db2.gz HAOIYVXEUQIZHJ-UHFFFAOYSA-N 0 0 378.252 4.356 40 0 GIABRN O=C(COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1)N1CCCC1 ZINC000225503136 208956451 /nfs/dbraw/zinc/95/64/51/208956451.db2.gz FJAWLJSUSGIVHE-UHFFFAOYSA-N 0 0 392.499 4.138 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C ZINC000225133154 208943305 /nfs/dbraw/zinc/94/33/05/208943305.db2.gz FIGXNWYYVWGYNN-OAQYLSRUSA-N 0 0 396.531 4.016 40 0 GIABRN CC[C@H](Oc1ccccc1OC)C(=O)Nc1nnc(SCC(C)C)s1 ZINC000225172333 208943803 /nfs/dbraw/zinc/94/38/03/208943803.db2.gz YMNVEPCIDOUEEQ-LBPRGKRZSA-N 0 0 381.523 4.091 40 0 GIABRN COC(=O)c1cc2cc(NC(=S)NCc3ccccc3OC)ccc2s1 ZINC000225213397 208946081 /nfs/dbraw/zinc/94/60/81/208946081.db2.gz HTQSDZFDQDFOJF-UHFFFAOYSA-N 0 0 386.498 4.183 40 0 GIABRN O=C(CCc1ccc(Cl)c(Cl)c1)NCCCN1CCc2ccccc21 ZINC000225335209 208946894 /nfs/dbraw/zinc/94/68/94/208946894.db2.gz YZPMWWGKBGAROJ-UHFFFAOYSA-N 0 0 377.315 4.495 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 ZINC000225281041 208947684 /nfs/dbraw/zinc/94/76/84/208947684.db2.gz TTWPELIJLANVPP-OAQYLSRUSA-N 0 0 384.495 4.010 40 0 GIABRN COc1ccc(CCC(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 ZINC000225319342 208947691 /nfs/dbraw/zinc/94/76/91/208947691.db2.gz SHVZLJVBURBJQV-UHFFFAOYSA-N 0 0 393.487 4.292 40 0 GIABRN Cc1ccc(CCCNC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000225389555 208948516 /nfs/dbraw/zinc/94/85/16/208948516.db2.gz CACWWZYLVNZRRY-UHFFFAOYSA-N 0 0 381.545 4.349 40 0 GIABRN Cc1ccc(CCCNC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 ZINC000225389616 208950966 /nfs/dbraw/zinc/95/09/66/208950966.db2.gz FYTAQKNOFFBZLU-UHFFFAOYSA-N 0 0 381.545 4.349 40 0 GIABRN CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CSc1ccccc1 ZINC000225423692 208952383 /nfs/dbraw/zinc/95/23/83/208952383.db2.gz FVLINVHRPWPSTA-NRFANRHFSA-N 0 0 398.572 4.155 40 0 GIABRN COC(=O)c1cccc(NC(=S)NCCCSCc2cccc(C)c2)c1 ZINC000225604299 208962390 /nfs/dbraw/zinc/96/23/90/208962390.db2.gz LNSHXQQQDLPPAG-UHFFFAOYSA-N 0 0 388.558 4.392 40 0 GIABRN CCOc1ccc(C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1Cl ZINC000225589319 208961557 /nfs/dbraw/zinc/96/15/57/208961557.db2.gz OROVJORBVJNWTO-UHFFFAOYSA-N 0 0 377.853 4.122 40 0 GIABRN CCc1nc2cc(C(=O)N3c4ccc(Br)cc4C[C@@H]3C)ccc2n1C ZINC000225894740 208983766 /nfs/dbraw/zinc/98/37/66/208983766.db2.gz RBEDFHWYEMCQHW-LBPRGKRZSA-N 0 0 398.304 4.490 40 0 GIABRN COc1ccc(NC(=O)C2(C3(C(=O)N4CCCCC4)CC3)CC2)c2ccccc12 ZINC000225926558 208984278 /nfs/dbraw/zinc/98/42/78/208984278.db2.gz UBIOLMNTGIVLAR-UHFFFAOYSA-N 0 0 392.499 4.360 40 0 GIABRN COc1ccc(-n2cccc2CNC(=O)c2ccc3nc(Cl)oc3c2)cc1 ZINC000225985175 208984844 /nfs/dbraw/zinc/98/48/44/208984844.db2.gz PBQOUQYPTNDDIW-UHFFFAOYSA-N 0 0 381.819 4.211 40 0 GIABRN O=C(CCNC(=O)c1ccc2nc(Cl)oc2c1)Nc1cccc2ccccc21 ZINC000225980310 208984986 /nfs/dbraw/zinc/98/49/86/208984986.db2.gz AKUOUGUTCAQDJF-UHFFFAOYSA-N 0 0 393.830 4.393 40 0 GIABRN COc1ccc(N[C@@H]2CCCn3c2cnc3C(=O)Nc2cccc(F)c2)cc1 ZINC000306129690 209099229 /nfs/dbraw/zinc/09/92/29/209099229.db2.gz IKFFZBYCOVAFNF-GOSISDBHSA-N 0 0 380.423 4.230 40 0 GIABRN O=C([C@H](Sc1ccccc1)c1ccc(Br)cc1)N1CCOCC1 ZINC000003215120 220610668 /nfs/dbraw/zinc/61/06/68/220610668.db2.gz RCCVGJCFBMKPBB-QGZVFWFLSA-N 0 0 392.318 4.141 40 0 GIABRN Cc1cc2nc(CO[C@H]3CN(Cc4ccc(F)c(F)c4)C[C@H]3F)[nH]c2cc1C ZINC000096112336 209009355 /nfs/dbraw/zinc/00/93/55/209009355.db2.gz KVKLTXXMQYSFHZ-XLIONFOSSA-N 0 0 389.421 4.197 40 0 biogenic,in-vitro GIABRN CCS(=O)(=O)c1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)=N2)cc1 ZINC000255189878 209045664 /nfs/dbraw/zinc/04/56/64/209045664.db2.gz SSJKDXICSNKBIZ-UHFFFAOYSA-N 0 0 383.300 4.401 40 0 GIABRN COc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)C(C)C)c1F ZINC000257200829 209053261 /nfs/dbraw/zinc/05/32/61/209053261.db2.gz AFBFVEDSEYBZPP-YFHVCWELSA-N 0 0 389.511 4.489 40 0 GIABRN Cc1cnc(Nc2cc(C3CCN(C(=O)OC(C)(C)C)CC3)nc(C)n2)s1 ZINC000257202626 209055020 /nfs/dbraw/zinc/05/50/20/209055020.db2.gz AMRGKPLOYMSXCR-UHFFFAOYSA-N 0 0 389.525 4.408 40 0 GIABRN COCCC(=O)N[C@@]1(C)C[C@H](c2cc(F)c(F)cc2F)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257207506 209055954 /nfs/dbraw/zinc/05/59/54/209055954.db2.gz BIBPGWMKBICRAV-BWCHOGLLSA-N 0 0 399.453 4.282 40 0 GIABRN Cc1ccnc(C2CC[NH+](Cc3ccc(-c4ccccc4C(=O)[O-])o3)CC2)n1 ZINC000257213559 209057146 /nfs/dbraw/zinc/05/71/46/209057146.db2.gz CIBQBEANFOZLKN-UHFFFAOYSA-N 0 0 377.444 4.123 40 0 GIABRN Cc1nc(Nc2nccs2)cc(C2CCN(C(=O)C3CCCCC3)CC2)n1 ZINC000257213846 209057252 /nfs/dbraw/zinc/05/72/52/209057252.db2.gz CJHYMZGEMYKFBF-UHFFFAOYSA-N 0 0 385.537 4.271 40 0 GIABRN O=C([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](Cc3cnccn3)C2)cc1 ZINC000257249432 209059846 /nfs/dbraw/zinc/05/98/46/209059846.db2.gz JIHONCYJASVYRC-LJQANCHMSA-N 0 0 387.483 4.297 40 0 GIABRN COC(C)(C)C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257255678 209061249 /nfs/dbraw/zinc/06/12/49/209061249.db2.gz KILRHGYQWMPCJP-QGZVFWFLSA-N 0 0 376.884 4.397 40 0 GIABRN CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(Br)cc2)CC1 ZINC000255188327 209046614 /nfs/dbraw/zinc/04/66/14/209046614.db2.gz JKEOAWXTACJOQV-SHTZXODSSA-N 0 0 397.313 4.015 40 0 GIABRN CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(C(=O)c4cncs4)CC3)C[C@@H]21 ZINC000257255737 209062582 /nfs/dbraw/zinc/06/25/82/209062582.db2.gz KIRDDHXQZYOANJ-QFBILLFUSA-N 0 0 398.528 4.314 40 0 GIABRN O=C(NCc1cccs1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 ZINC000257265225 209063504 /nfs/dbraw/zinc/06/35/04/209063504.db2.gz LXUSVKSZCIHSJJ-UHFFFAOYSA-N 0 0 392.524 4.466 40 0 GIABRN COc1cccc([C@H]2C[C@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)c1OC(F)F ZINC000257277755 209067248 /nfs/dbraw/zinc/06/72/48/209067248.db2.gz NZFMCUXCBQLRHV-FQVLQTIRSA-N 0 0 397.462 4.458 40 0 GIABRN Cc1cc(C)n(CC(=O)N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)n1 ZINC000257284694 209068846 /nfs/dbraw/zinc/06/88/46/209068846.db2.gz PDVURPDQODCYRB-LJQANCHMSA-N 0 0 398.894 4.096 40 0 GIABRN COc1ccc(C2(C(=O)N3CCC[C@@H](c4cnccn4)C3)CCCCC2)cc1 ZINC000257285327 209069306 /nfs/dbraw/zinc/06/93/06/209069306.db2.gz PGQLITHPGIIQLD-GOSISDBHSA-N 0 0 379.504 4.093 40 0 GIABRN Cc1noc(C)c1-c1cc([C@H]2CCCN2C(=O)c2ccc(F)cc2)nc(C)n1 ZINC000257289440 209069562 /nfs/dbraw/zinc/06/95/62/209069562.db2.gz PYPCVASEIPUFSK-LJQANCHMSA-N 0 0 380.423 4.173 40 0 GIABRN O=C(c1cccnc1)N1CC[C@@H](Nc2cccc(F)c2)[C@@H](Cc2ccccc2)C1 ZINC000257300839 209071200 /nfs/dbraw/zinc/07/12/00/209071200.db2.gz RVWNKAOJDQXIAZ-NZQKXSOJSA-N 0 0 389.474 4.406 40 0 GIABRN Cc1nnsc1C(=O)N1CCC[C@@H](c2cc(-c3ccccc3)cc(C)n2)C1 ZINC000257309090 209072331 /nfs/dbraw/zinc/07/23/31/209072331.db2.gz TZMWRDWGEDHGCY-QGZVFWFLSA-N 0 0 378.501 4.237 40 0 GIABRN C[C@@H](NC(=O)[C@H](C)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000408998238 533259864 /nfs/dbraw/zinc/25/98/64/533259864.db2.gz KZYOERYVFMNDNC-MOPGFXCFSA-N 0 0 386.495 4.201 40 0 GIABRN COc1cccc(C(=O)N2CCC(C(=O)Nc3cccc4ccccc43)CC2)c1 ZINC000408970131 533396346 /nfs/dbraw/zinc/39/63/46/533396346.db2.gz BHCDQAUFDQPGGH-UHFFFAOYSA-N 0 0 388.467 4.339 40 0 GIABRN COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)c1 ZINC000408628764 533404584 /nfs/dbraw/zinc/40/45/84/533404584.db2.gz XFTDIOSGJOHJLL-HNNXBMFYSA-N 0 0 383.517 4.201 40 0 GIABRN COc1cccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@@]2(O)C(F)(F)F)c1 ZINC000409108617 533405494 /nfs/dbraw/zinc/40/54/94/533405494.db2.gz XFDJDAHFVRUBCT-ZUEVXXBESA-N 0 0 398.425 4.220 40 0 GIABRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1O ZINC000106697739 533474183 /nfs/dbraw/zinc/47/41/83/533474183.db2.gz XCFPGKFFVSOKLZ-NVNXTCNLSA-N 0 0 393.823 4.430 40 0 GIABRN COc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OCc1ccccc1C ZINC000408923790 533474687 /nfs/dbraw/zinc/47/46/87/533474687.db2.gz KCGZIZQIHHHKGI-SXGWCWSVSA-N 0 0 388.876 4.375 40 0 GIABRN COc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1O ZINC000409062254 533474804 /nfs/dbraw/zinc/47/48/04/533474804.db2.gz QTMQMBJMHSPNSY-DHDCSXOGSA-N 0 0 391.832 4.304 40 0 GIABRN COc1cc(C(=S)N2CCCC2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409229310 533561280 /nfs/dbraw/zinc/56/12/80/533561280.db2.gz MZNQLHZCQQRSDC-UHFFFAOYSA-N 0 0 398.528 4.101 40 0 GIABRN COc1cc(C(=S)N2CCCCC2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409245334 533561298 /nfs/dbraw/zinc/56/12/98/533561298.db2.gz RAPSAFVSIOXUJP-UHFFFAOYSA-N 0 0 398.528 4.183 40 0 GIABRN Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000408703454 533671023 /nfs/dbraw/zinc/67/10/23/533671023.db2.gz RXFWAGQKYBEIOW-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN O=C(c1n[nH]c2ccccc21)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257305324 209073026 /nfs/dbraw/zinc/07/30/26/209073026.db2.gz SPLADMJZRNTBSC-IBGZPJMESA-N 0 0 390.418 4.258 40 0 GIABRN c1csc(-c2nc(N3CCSCC3)ncc2-c2ccc3c(c2)OCO3)c1 ZINC000072339759 136168542 /nfs/dbraw/zinc/16/85/42/136168542.db2.gz SSYVVQZTQGTQPQ-UHFFFAOYSA-N 0 0 383.498 4.154 40 0 GIABRN Cc1cc(N2CCC(c3ccc(Nc4ccc(F)cn4)cn3)CC2)nc(C)n1 ZINC000072374227 136169165 /nfs/dbraw/zinc/16/91/65/136169165.db2.gz GIERHTUAEUJUKQ-UHFFFAOYSA-N 0 0 378.455 4.150 40 0 GIABRN CCOC(=O)[C@H]1CCCN(c2cc(C)nc3cc(-c4ccc(Cl)cc4)nn32)C1 ZINC000001340721 136193193 /nfs/dbraw/zinc/19/31/93/136193193.db2.gz BFBLOMZCCUOYSR-INIZCTEOSA-N 0 0 398.894 4.138 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(C)cc2)CC1 ZINC000219855240 136204328 /nfs/dbraw/zinc/20/43/28/136204328.db2.gz VACBIMGRKIXDNB-GOSISDBHSA-N 0 0 393.531 4.378 40 0 GIABRN O=C(c1ncccc1O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257314770 209075269 /nfs/dbraw/zinc/07/52/69/209075269.db2.gz UYJSBOZMKMBFMU-HNNXBMFYSA-N 0 0 397.862 4.039 40 0 GIABRN Cc1cccnc1Nc1cccc(C2CCN(C(=O)C[C@@H]3CCCCO3)CC2)n1 ZINC000257326458 209075843 /nfs/dbraw/zinc/07/58/43/209075843.db2.gz WXHFDKXOVSLTNU-IBGZPJMESA-N 0 0 394.519 4.194 40 0 GIABRN Cc1ccc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4F)o3)C2)cn1 ZINC000257332786 209076598 /nfs/dbraw/zinc/07/65/98/209076598.db2.gz XYPVTFGYWNWUEG-GOSISDBHSA-N 0 0 379.435 4.128 40 0 GIABRN COc1ccc(-c2cccc([C@@H]3CN(Cc4cnc(C)s4)CCO3)n2)cc1 ZINC000257327649 209077132 /nfs/dbraw/zinc/07/71/32/209077132.db2.gz XCETVRQOORIDHC-NRFANRHFSA-N 0 0 381.501 4.096 40 0 GIABRN O=C(CCc1ccc(F)cc1)N1CCC[C@@]2(CN(c3ccccc3)C(=O)O2)CC1 ZINC000257331289 209077317 /nfs/dbraw/zinc/07/73/17/209077317.db2.gz XSEFEHZKYZIZBR-QHCPKHFHSA-N 0 0 396.462 4.166 40 0 GIABRN COCCC(=O)N[C@]1(C)C[C@H](c2cccc(F)c2F)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257329655 209077384 /nfs/dbraw/zinc/07/73/84/209077384.db2.gz XKVYBWDAJYFCOC-VIEUHXQJSA-N 0 0 381.463 4.142 40 0 GIABRN O=C(NCc1cccs1)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 ZINC000257334571 209077996 /nfs/dbraw/zinc/07/79/96/209077996.db2.gz YGMGWKSENPHBAY-UHFFFAOYSA-N 0 0 392.524 4.466 40 0 GIABRN COc1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)n2)cc1OC ZINC000071977717 222202153 /nfs/dbraw/zinc/20/21/53/222202153.db2.gz WGBDHBJDXOEDRV-UHFFFAOYSA-N 0 0 386.249 4.173 40 0 GIABRN O=C(Cc1cccnc1)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 ZINC000072349401 222236037 /nfs/dbraw/zinc/23/60/37/222236037.db2.gz ZNEJMACDONZPHJ-UHFFFAOYSA-N 0 0 389.474 4.155 40 0 GIABRN COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4ccccn4)C3)n2)c1 ZINC000072349468 222236570 /nfs/dbraw/zinc/23/65/70/222236570.db2.gz WCUUJIVXQNRXOI-LJQANCHMSA-N 0 0 387.483 4.101 40 0 GIABRN Cn1ccc(C(=O)N2CCC[C@@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)n1 ZINC000072349928 222236839 /nfs/dbraw/zinc/23/68/39/222236839.db2.gz XJWOFPBQUOGIDT-QGZVFWFLSA-N 0 0 394.906 4.079 40 0 GIABRN CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccccc2)C1 ZINC000072391057 222248900 /nfs/dbraw/zinc/24/89/00/222248900.db2.gz GMTDHJDGPJCIPX-SANMLTNESA-N 0 0 398.506 4.175 40 0 GIABRN Cc1nn(C)cc1/C=C1/C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O ZINC000118915999 222523214 /nfs/dbraw/zinc/52/32/14/222523214.db2.gz NGPBGXXVOJHCFZ-YJZYRLGASA-N 0 0 396.575 4.406 40 0 GIABRN Cc1ccc(C)c(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC=C(C)C[C@@H]3C2=O)c1 ZINC000408680984 533685252 /nfs/dbraw/zinc/68/52/52/533685252.db2.gz ISKMFEZFCGQTTD-MJGOQNOKSA-N 0 0 388.467 4.401 40 0 GIABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)c1 ZINC000408624707 533685859 /nfs/dbraw/zinc/68/58/59/533685859.db2.gz RGNKGJCHYPQGMU-UHFFFAOYSA-N 0 0 386.517 4.039 40 0 GIABRN C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000409002080 533702244 /nfs/dbraw/zinc/70/22/44/533702244.db2.gz MADFWRPMGHPFGV-HNNXBMFYSA-N 0 0 389.492 4.373 40 0 GIABRN COc1ccc(Cl)cc1NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C ZINC000408999316 533878795 /nfs/dbraw/zinc/87/87/95/533878795.db2.gz QVSUVZRQHMOARK-SFHVURJKSA-N 0 0 390.867 4.238 40 0 GIABRN Cc1c(F)cccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)Oc1ccccc1 ZINC000408999284 533890151 /nfs/dbraw/zinc/89/01/51/533890151.db2.gz QOBIRFNQHUEUOO-NRFANRHFSA-N 0 0 392.430 4.473 40 0 GIABRN COC(=O)c1ccc(-c2ccc(/C=C3\SC(=O)N(C)C3=O)o2)cc1Cl ZINC000408818014 533943787 /nfs/dbraw/zinc/94/37/87/533943787.db2.gz YZVFUBJANNQWNE-ZSOIEALJSA-N 0 0 377.805 4.053 40 0 GIABRN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)C(C)C)cc3O)oc2c(C)c1 ZINC000408628377 534129754 /nfs/dbraw/zinc/12/97/54/534129754.db2.gz SCOPRRUPLMELEB-UHFFFAOYSA-N 0 0 383.473 4.286 40 0 GIABRN Cc1ccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC(C)=CC[C@@H]3C2=O)c(C)c1 ZINC000408685049 534191765 /nfs/dbraw/zinc/19/17/65/534191765.db2.gz PZNBXIXKWIBDMB-PKOBYXMFSA-N 0 0 388.467 4.401 40 0 GIABRN Cc1ccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)cc1C ZINC000408669428 534192663 /nfs/dbraw/zinc/19/26/63/534192663.db2.gz GWPJBPSXRNCCBQ-QFIXIFRTSA-N 0 0 388.467 4.257 40 0 GIABRN CC1=CC(C)(C)N(C(=O)CSc2nnc(-c3cccnc3)o2)c2ccccc21 ZINC000010157743 520851808 /nfs/dbraw/zinc/85/18/08/520851808.db2.gz AZUXOEURBSBZBP-UHFFFAOYSA-N 0 0 392.484 4.452 40 0 GIABRN Cc1ccc2nsnc2c1NC(=S)NC(=O)C=Cc1ccc(Cl)cc1 ZINC000408575418 534525895 /nfs/dbraw/zinc/52/58/95/534525895.db2.gz UTZDWJDAYWMDET-WEVVVXLNSA-N 0 0 388.905 4.180 40 0 GIABRN O=C(OCc1cccc(Cl)c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000409223440 534564554 /nfs/dbraw/zinc/56/45/54/534564554.db2.gz FNKVVEJYJUYEAG-UHFFFAOYSA-N 0 0 391.810 4.498 40 0 GIABRN O=C(Oc1cccc(/C=C2/N=C(c3ccccc3)OC2=O)c1)c1ccccc1F ZINC000408957734 534569227 /nfs/dbraw/zinc/56/92/27/534569227.db2.gz VPVJAHOGVDOQAZ-XSFVSMFZSA-N 0 0 387.366 4.389 40 0 GIABRN Cc1cccc(C(=O)OCC(=O)Nc2cc(C)c(Br)c(C)c2)c1 ZINC000408646972 534628497 /nfs/dbraw/zinc/62/84/97/534628497.db2.gz RRDHCCWQOLFHOC-UHFFFAOYSA-N 0 0 376.250 4.170 40 0 GIABRN CC(C)(C)NC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)C(C)(C)O2 ZINC000004965744 534717092 /nfs/dbraw/zinc/71/70/92/534717092.db2.gz ZZRPYAIUWVUMEQ-UHFFFAOYSA-N 0 0 384.451 4.058 40 0 GIABRN O=C1NC(Nc2ccccc2F)S/C1=C\c1ccc(O)c(Br)c1 ZINC000408806193 534802321 /nfs/dbraw/zinc/80/23/21/534802321.db2.gz BCLLLTRJHPVGTB-UHFFFAOYSA-N 0 0 394.245 4.057 40 0 GIABRN O=C1Nc2ccccc2S/C1=C\c1ccc(I)cc1 ZINC000409097162 534803934 /nfs/dbraw/zinc/80/39/34/534803934.db2.gz HSAXAFOTQUSZDH-ZROIWOOFSA-N 0 0 379.222 4.377 40 0 GIABRN O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1cc(Br)ccc1O ZINC000408840888 534805738 /nfs/dbraw/zinc/80/57/38/534805738.db2.gz CUZKNHTZZYGLGC-MDWZMJQESA-N 0 0 378.609 4.153 40 0 GIABRN O=C1S/C(=C/c2ccc(N3CCOCC3)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409195445 534823315 /nfs/dbraw/zinc/82/33/15/534823315.db2.gz UPPIJWQRKVOOCI-RVDMUPIBSA-N 0 0 390.848 4.011 40 0 GIABRN O=C1S/C(=C/c2ccc3c(c2)OCCO3)C(=O)N1Cc1ccc(Cl)cc1 ZINC000409221340 534823992 /nfs/dbraw/zinc/82/39/92/534823992.db2.gz OVHIWIOTNVDZOK-LICLKQGHSA-N 0 0 387.844 4.348 40 0 GIABRN O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408707320 534840004 /nfs/dbraw/zinc/84/00/04/534840004.db2.gz JCAADSDJSOZRCJ-CQSZACIVSA-N 0 0 389.282 4.474 40 0 GIABRN CC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1ccc(F)cc1)N2 ZINC000409107401 526647762 /nfs/dbraw/zinc/64/77/62/526647762.db2.gz PLACRXLHCJYTPY-DFHBCGBQSA-N 0 0 386.389 4.351 40 0 GIABRN CC(=O)Nc1ccccc1SCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000409178743 527096384 /nfs/dbraw/zinc/09/63/84/527096384.db2.gz OFFPSCFWHLGRMN-UHFFFAOYSA-N 0 0 383.498 4.499 40 0 GIABRN CC(C)CCC1=C[C@@](O)(C(F)(F)F)N(C(=O)CSCc2ccccc2)N1 ZINC000409366674 527699356 /nfs/dbraw/zinc/69/93/56/527699356.db2.gz UPEXXRFVNBNZEY-QGZVFWFLSA-N 0 0 388.455 4.195 40 0 GIABRN CC1(C)OC[C@@H]([C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C(=O)C[C@]23C)O1 ZINC000123282937 527811941 /nfs/dbraw/zinc/81/19/41/527811941.db2.gz POPWCUOLVRXTBA-ABZLFWAFSA-N 0 0 390.564 4.337 40 0 GIABRN CC1(C)OC[C@H]([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C(=O)C[C@]23C)O1 ZINC000123282236 527814330 /nfs/dbraw/zinc/81/43/30/527814330.db2.gz POPWCUOLVRXTBA-ZLGYYUPXSA-N 0 0 390.564 4.337 40 0 GIABRN CCN(CC)C(=O)CSc1nnc(Cc2cccc3ccccc32)n1CC ZINC000408561053 528032437 /nfs/dbraw/zinc/03/24/37/528032437.db2.gz XGWDPXAOMZMKJY-UHFFFAOYSA-N 0 0 382.533 4.003 40 0 GIABRN CCC[C@H](C)NC(=O)C(=O)c1c(-c2ccc(OCC)cc2)cc2ccccn21 ZINC000408676982 528055742 /nfs/dbraw/zinc/05/57/42/528055742.db2.gz PGFUFFUPIHARMP-INIZCTEOSA-N 0 0 378.472 4.493 40 0 GIABRN CCC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000409349785 528055967 /nfs/dbraw/zinc/05/59/67/528055967.db2.gz UTZDGQMSTVJBFZ-KRWDZBQOSA-N 0 0 388.533 4.033 40 0 GIABRN CCC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 ZINC000408547548 528065278 /nfs/dbraw/zinc/06/52/78/528065278.db2.gz ZQXAQRBIKICVOR-KRWDZBQOSA-N 0 0 388.533 4.331 40 0 GIABRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)N[C@H](C)c3ccccc3)C(=O)[C@@H]2C1 ZINC000408680351 528123598 /nfs/dbraw/zinc/12/35/98/528123598.db2.gz HQPZKVTWXIPYIH-IMFGXOCKSA-N 0 0 388.467 4.023 40 0 GIABRN CCCN1C(=O)C(=Cc2c(OCC)ccc3ccc(OCC)cc32)NC1=S ZINC000409077293 528161832 /nfs/dbraw/zinc/16/18/32/528161832.db2.gz DBIIKXFPJNRCKC-AQTBWJFISA-N 0 0 384.501 4.105 40 0 GIABRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1cccc(F)c1 ZINC000408814806 528197592 /nfs/dbraw/zinc/19/75/92/528197592.db2.gz GMRWMASXHASWBR-WQRHYEAKSA-N 0 0 387.432 4.470 40 0 GIABRN CC(C)Oc1ccc2ccccc2c1/C=c1\sc2nc3ccccc3n2c1=O ZINC000408901705 528210194 /nfs/dbraw/zinc/21/01/94/528210194.db2.gz AOWROPQTHODGDH-BKUYFWCQSA-N 0 0 386.476 4.397 40 0 GIABRN CCN(CC)S(=O)(=O)c1cc(Cl)cc(NC(=O)Nc2ccc(F)cc2)c1 ZINC000027231981 528219956 /nfs/dbraw/zinc/21/99/56/528219956.db2.gz PHRPTJHTMNRWIR-UHFFFAOYSA-N 0 0 399.875 4.154 40 0 GIABRN CCOC(=O)c1cnc2c(-c3ccccc3)c(-c3ccccc3)nn2c1COC ZINC000409129092 528305309 /nfs/dbraw/zinc/30/53/09/528305309.db2.gz QSWYRAYWLVHXGG-UHFFFAOYSA-N 0 0 387.439 4.386 40 0 GIABRN CCC(=O)Nc1cc(OC)c(C(=O)OCC(=O)c2ccc(C)cc2)cc1Cl ZINC000409182055 528424651 /nfs/dbraw/zinc/42/46/51/528424651.db2.gz HVQQJISHTXSQMW-UHFFFAOYSA-N 0 0 389.835 4.045 40 0 GIABRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1ccccc1O)N2 ZINC000409362865 528595508 /nfs/dbraw/zinc/59/55/08/528595508.db2.gz HDHGHFIGWDRNCJ-BBEGDGIKSA-N 0 0 398.425 4.307 40 0 GIABRN CCOc1ccc2ccc(OCC)c(/C=C3/C(=O)N(CC)C(=S)N3C)c2c1 ZINC000409042692 528623032 /nfs/dbraw/zinc/62/30/32/528623032.db2.gz XLFUPRQMTJDUII-AQTBWJFISA-N 0 0 384.501 4.057 40 0 GIABRN CCOc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1 ZINC000409338423 528627641 /nfs/dbraw/zinc/62/76/41/528627641.db2.gz JPKBQAKYJFBSAQ-PDGQHHTCSA-N 0 0 396.468 4.069 40 0 GIABRN CCCCOc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000408714075 528659533 /nfs/dbraw/zinc/65/95/33/528659533.db2.gz HYNDKGUUDLTONO-UHFFFAOYSA-N 0 0 379.460 4.496 40 0 GIABRN CCOC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(CC)cc1 ZINC000409098166 528853249 /nfs/dbraw/zinc/85/32/49/528853249.db2.gz NSZDRXMASWJKAQ-UHFFFAOYSA-N 0 0 381.501 4.076 40 0 GIABRN CCN1C(=O)N/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C1=O ZINC000409236322 528952631 /nfs/dbraw/zinc/95/26/31/528952631.db2.gz DXHKTVSIGLBTTG-MDWZMJQESA-N 0 0 395.640 4.275 40 0 GIABRN CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC1CCCC1 ZINC000408739118 529081364 /nfs/dbraw/zinc/08/13/64/529081364.db2.gz XQBFPZMNEDGIQN-QFIPXVFZSA-N 0 0 378.516 4.018 40 0 GIABRN CCOC(=O)Nc1cc(S(=O)(=O)NC2CCCCCCC2)ccc1OCC ZINC000408587271 529106314 /nfs/dbraw/zinc/10/63/14/529106314.db2.gz SSKKIYRKCCUEPF-UHFFFAOYSA-N 0 0 398.525 4.045 40 0 GIABRN CC(C)(C)c1ccc(C(=O)Nc2cc(N3CCOCC3)c(N)cc2Cl)cc1 ZINC000072229177 535109352 /nfs/dbraw/zinc/10/93/52/535109352.db2.gz QOVXQBSSLMNJAQ-UHFFFAOYSA-N 0 0 387.911 4.309 40 0 GIABRN CCO[C@@H]1c2c3c(ccc2-c2ccc4cc5c(cc4c2N1C)OCO5)OCO3 ZINC000013480265 535544100 /nfs/dbraw/zinc/54/41/00/535544100.db2.gz FCEXWTOTHXCQCQ-JOCHJYFZSA-N 0 0 377.396 4.449 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCN1CCCc2ccccc21 ZINC000219374159 535818207 /nfs/dbraw/zinc/81/82/07/535818207.db2.gz DODWENUQNSEZJG-JOCHJYFZSA-N 0 0 380.532 4.420 40 0 GIABRN O=C1OC[C@@H]2CCN(Cc3cnc4ccccc4c3)Cc3ccc(F)cc3N12 ZINC000225486177 560042648 /nfs/dbraw/zinc/04/26/48/560042648.db2.gz PNUGTJCUMXNXQX-IBGZPJMESA-N 0 0 377.419 4.105 40 0 biogenic,in-vitro GIABRN Cc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3Cc3ccc(F)cc3)n2)cc1 ZINC000015675556 560094993 /nfs/dbraw/zinc/09/49/93/560094993.db2.gz CYFLABPJVOMLCG-FQEVSTJZSA-N 0 0 389.434 4.207 40 0 biogenic,in-vitro GIABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(SC)cc3)C2=O)o1 ZINC000034868594 570212107 /nfs/dbraw/zinc/21/21/07/570212107.db2.gz GWHDFENSFAPFOK-OQLLNIDSSA-N 0 0 389.454 4.025 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2ccccc2Br)cc(-c2ccccn2)n1 ZINC000328970692 570210102 /nfs/dbraw/zinc/21/01/02/570210102.db2.gz DLCKGGKKJTVKCS-ZDUSSCGKSA-N 0 0 398.308 4.099 40 0 GIABRN COc1ccc(Cl)cc1Nc1cc(C(F)(F)F)nc(NC2CCCC2)n1 ZINC000329019783 570213049 /nfs/dbraw/zinc/21/30/49/570213049.db2.gz NXUBPQBMJZVUIP-UHFFFAOYSA-N 0 0 386.805 4.099 40 0 GIABRN COc1ccccc1CNc1cc(-c2ccccc2)nc(NC2CCCCC2)n1 ZINC000329068594 570216441 /nfs/dbraw/zinc/21/64/41/570216441.db2.gz YQVWDSIKDDZUQO-UHFFFAOYSA-N 0 0 388.515 4.353 40 0 GIABRN Cc1cc(C)c(Nc2cc(-c3ccncc3)nc(N[C@@H](CO)C(C)C)n2)c(C)c1 ZINC000329069044 570216735 /nfs/dbraw/zinc/21/67/35/570216735.db2.gz YUIFRJBDQICCQO-FQEVSTJZSA-N 0 0 391.519 4.058 40 0 GIABRN O=C(Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1)c1ccccc1 ZINC000005169104 570275837 /nfs/dbraw/zinc/27/58/37/570275837.db2.gz QKRZRGDYBFZKOR-UHFFFAOYSA-N 0 0 392.422 4.106 40 0 GIABRN CCOc1ccc(N(CC(=O)c2ccc(OC)cc2)C2=NCCCS2)cc1 ZINC000006870367 570294629 /nfs/dbraw/zinc/29/46/29/570294629.db2.gz SZCQGKIBQTUZNY-UHFFFAOYSA-N 0 0 384.501 4.276 40 0 GIABRN CCCCN1c2nc3ccccc3n2[C@H]([C@@H]2CC=CCC2)[C@@H](C(=O)OCC)C1=O ZINC000216106683 570296025 /nfs/dbraw/zinc/29/60/25/570296025.db2.gz IXIAVJMBTOLWCN-NSISKUIASA-N 0 0 395.503 4.260 40 0 GIABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000216260075 570298001 /nfs/dbraw/zinc/29/80/01/570298001.db2.gz NRKFIXAXYDIXDG-FQEVSTJZSA-N 0 0 396.418 4.145 40 0 GIABRN CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)c(Br)c1 ZINC000216297263 570298670 /nfs/dbraw/zinc/29/86/70/570298670.db2.gz APRPRRAZJZUJLN-LBPRGKRZSA-N 0 0 380.257 4.407 40 0 GIABRN C[C@@H](NC(=O)c1cccc(CN2CCOCC2)c1)c1ccc(C(C)(C)C)cc1 ZINC000216393464 570300705 /nfs/dbraw/zinc/30/07/05/570300705.db2.gz GDDFTFOMZWVNFV-GOSISDBHSA-N 0 0 380.532 4.307 40 0 GIABRN O=C(NCc1cccc(Cl)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000042646674 570303562 /nfs/dbraw/zinc/30/35/62/570303562.db2.gz VXIBIGGQZXQQHU-UHFFFAOYSA-N 0 0 391.176 4.267 40 0 GIABRN O=C(NC(=S)Nc1ccc(N2CCCCC2)c(F)c1)c1cccc(F)c1 ZINC000021577159 570304567 /nfs/dbraw/zinc/30/45/67/570304567.db2.gz ATPHUEXYJWLEDY-UHFFFAOYSA-N 0 0 375.444 4.082 40 0 GIABRN COc1cccc(OCCNC(=O)c2cccc(OCc3ccccc3)c2)c1 ZINC000105884103 570305777 /nfs/dbraw/zinc/30/57/77/570305777.db2.gz TUELRSUCEVWYMB-UHFFFAOYSA-N 0 0 377.440 4.083 40 0 GIABRN CCc1ccc(-n2nc3cc(Br)c(N)c(Br)c3n2)cc1 ZINC000575414999 570305911 /nfs/dbraw/zinc/30/59/11/570305911.db2.gz FJNVQRSALITOST-UHFFFAOYSA-N 0 0 396.086 4.090 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2NC2CCC2)cc1 ZINC000072213937 570314090 /nfs/dbraw/zinc/31/40/90/570314090.db2.gz LCZDAYLCNVCVIW-FQEVSTJZSA-N 0 0 385.533 4.270 40 0 GIABRN CC(C)(C)OC(=O)NCCCCC(=O)c1cccnc1NC(=O)OC(C)(C)C ZINC000072214418 570314405 /nfs/dbraw/zinc/31/44/05/570314405.db2.gz WMLZISLKVLUTOM-UHFFFAOYSA-N 0 0 393.484 4.306 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2SC(C)C)cc1 ZINC000072217551 570316553 /nfs/dbraw/zinc/31/65/53/570316553.db2.gz NKHUEBMQBCXPOS-SFHVURJKSA-N 0 0 376.547 4.416 40 0 GIABRN CCSc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000072217159 570317833 /nfs/dbraw/zinc/31/78/33/570317833.db2.gz PGSFVWHTCULXQF-SFHVURJKSA-N 0 0 376.547 4.418 40 0 GIABRN N[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Cl)cc1Cl ZINC000072227549 570319007 /nfs/dbraw/zinc/31/90/07/570319007.db2.gz BYNCZRIQJCBJOY-KGLIPLIRSA-N 0 0 375.177 4.427 40 0 GIABRN Cc1cccc(N(CCCC(=O)Nc2c(C)cccc2C)S(C)(=O)=O)c1C ZINC000113962437 570337081 /nfs/dbraw/zinc/33/70/81/570337081.db2.gz MNKGSMMCLSPSFY-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN Cc1ccc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1C ZINC000113962546 570337100 /nfs/dbraw/zinc/33/71/00/570337100.db2.gz ZGHWSKWBCXCLKG-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN Cc1ccc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c(C)c1 ZINC000113962332 570337119 /nfs/dbraw/zinc/33/71/19/570337119.db2.gz FLMLAFNPJMNDAY-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN CN1CCN(C(=S)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000408577313 570343007 /nfs/dbraw/zinc/34/30/07/570343007.db2.gz SJTHFOMRWNIQIV-UHFFFAOYSA-N 0 0 395.355 4.495 40 0 GIABRN Cc1ccccc1NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000006056810 570345994 /nfs/dbraw/zinc/34/59/94/570345994.db2.gz NNQRZGAILRAALD-LBPRGKRZSA-N 0 0 382.243 4.251 40 0 GIABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000219034527 570346251 /nfs/dbraw/zinc/34/62/51/570346251.db2.gz JGPWKIKFJDSAPA-INIZCTEOSA-N 0 0 387.439 4.316 40 0 GIABRN CC[C@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccc(OC)c(OC)c1 ZINC000219061347 570347267 /nfs/dbraw/zinc/34/72/67/570347267.db2.gz USXCLVQBVIMFEJ-BBRMVZONSA-N 0 0 377.868 4.392 40 0 GIABRN COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C)CC(C)(C)O2 ZINC000219072917 570347319 /nfs/dbraw/zinc/34/73/19/570347319.db2.gz LEKPDOARWQTMSK-QFBILLFUSA-N 0 0 383.488 4.498 40 0 GIABRN Cc1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1 ZINC000003479025 570347524 /nfs/dbraw/zinc/34/75/24/570347524.db2.gz VVRWVZZWFQHFPV-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 ZINC000003548080 570348273 /nfs/dbraw/zinc/34/82/73/570348273.db2.gz GMAGZEUYYHIFGL-UHFFFAOYSA-N 0 0 380.469 4.072 40 0 GIABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000219231749 570349932 /nfs/dbraw/zinc/34/99/32/570349932.db2.gz WLHIXNRWBIYUGO-HXUWFJFHSA-N 0 0 392.499 4.150 40 0 GIABRN CCc1ccccc1O[C@H](C)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000219296932 570351849 /nfs/dbraw/zinc/35/18/49/570351849.db2.gz CGJWVDFEAYPOIE-MRXNPFEDSA-N 0 0 379.460 4.033 40 0 GIABRN COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1C)CC(C)(C)O2 ZINC000219310422 570354103 /nfs/dbraw/zinc/35/41/03/570354103.db2.gz GQDPBTPAQZLZBN-VQIMIIECSA-N 0 0 383.488 4.498 40 0 GIABRN CC[C@@H](Oc1ccccc1C)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219315760 570354458 /nfs/dbraw/zinc/35/44/58/570354458.db2.gz QZBUYORLZXQXGG-MRXNPFEDSA-N 0 0 385.851 4.172 40 0 GIABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000219329153 570355048 /nfs/dbraw/zinc/35/50/48/570355048.db2.gz NPKHOPFFZVDUDG-SFHVURJKSA-N 0 0 383.423 4.000 40 0 GIABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000219334429 570355563 /nfs/dbraw/zinc/35/55/63/570355563.db2.gz BTELUUWXDPVIQH-FQEVSTJZSA-N 0 0 393.487 4.478 40 0 GIABRN CCC(=O)Nc1nc2ccc(NC(=O)COc3ccccc3Cl)cc2s1 ZINC000057312857 570356039 /nfs/dbraw/zinc/35/60/39/570356039.db2.gz HMWOXPTWVYVTPA-UHFFFAOYSA-N 0 0 389.864 4.316 40 0 GIABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1nc(-c2cccc(C)c2)no1 ZINC000219380398 570357811 /nfs/dbraw/zinc/35/78/11/570357811.db2.gz FELYAXCDGFWDPA-GOSISDBHSA-N 0 0 379.460 4.136 40 0 GIABRN Cc1nnc(S[C@@H](C)C(=O)Nc2c(C)cccc2C)n1Cc1ccccc1 ZINC000004130465 570359097 /nfs/dbraw/zinc/35/90/97/570359097.db2.gz HHEVPOUEXDLSNO-INIZCTEOSA-N 0 0 380.517 4.371 40 0 GIABRN O=C(c1ccc2c(c1)[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@@H](c1ccccc1)N2)N1CCOCC1 ZINC000004150576 570360162 /nfs/dbraw/zinc/36/01/62/570360162.db2.gz QHAQFOIXFHDOMH-CWMDWYMSSA-N 0 0 388.511 4.456 40 0 GIABRN COc1ccc(C(=O)Nc2c3nsnc3ccc2Cl)cc1Br ZINC000057315667 570360431 /nfs/dbraw/zinc/36/04/31/570360431.db2.gz FYYZYFDCISMYNX-UHFFFAOYSA-N 0 0 398.669 4.368 40 0 GIABRN COc1ccc(/C=C/C(=O)NC(=S)Nc2cccc3ccc(C)nc32)cc1 ZINC000057314177 570360438 /nfs/dbraw/zinc/36/04/38/570360438.db2.gz MGJZKMOPRLPBCQ-UKTHLTGXSA-N 0 0 377.469 4.078 40 0 GIABRN COc1ccc([C@@H](C)NC(=O)CCCN2c3cccc4cccc(c34)C2=O)cc1 ZINC000219470033 570363858 /nfs/dbraw/zinc/36/38/58/570363858.db2.gz TUDPJVXHWKRIAG-MRXNPFEDSA-N 0 0 388.467 4.466 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 ZINC000219519233 570365317 /nfs/dbraw/zinc/36/53/17/570365317.db2.gz HILBJFXSBSRRMI-OXQOHEQNSA-N 0 0 383.488 4.498 40 0 GIABRN CC[C@@H](c1nnnn1C1CCCCC1)N1CCN(c2cc(C)ccc2C)CC1 ZINC000057669450 570366739 /nfs/dbraw/zinc/36/67/39/570366739.db2.gz HHRKMIZHKMOWCQ-FQEVSTJZSA-N 0 0 382.556 4.068 40 0 GIABRN CCOC(=O)C=C(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118929433 570368717 /nfs/dbraw/zinc/36/87/17/570368717.db2.gz RYKHHNIWOFKOBP-DPJIWMIASA-N 0 0 388.548 4.449 40 0 GIABRN CN(CCc1ccccc1)c1ncc(-c2ccc(F)cc2)c(-c2nccn2C)n1 ZINC000057775087 570373521 /nfs/dbraw/zinc/37/35/21/570373521.db2.gz QEZUBCRPJJTCBF-UHFFFAOYSA-N 0 0 387.462 4.362 40 0 GIABRN CCc1ccc(N([C@H](C)C(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)cc1 ZINC000220269887 570384260 /nfs/dbraw/zinc/38/42/60/570384260.db2.gz YNBTZANWXAIJBP-CQSZACIVSA-N 0 0 394.924 4.004 40 0 GIABRN CC[C@H](C(=O)Nc1ccc(C)c(Cl)c1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220503081 570387420 /nfs/dbraw/zinc/38/74/20/570387420.db2.gz NQKHLHCPKLLBSD-GOSISDBHSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@@H](OC(=O)c1cccc(I)c1)C(=O)c1ccccc1 ZINC000006934201 570389309 /nfs/dbraw/zinc/38/93/09/570389309.db2.gz NWRFWEAMTFHRPD-OAHLLOKOSA-N 0 0 394.208 4.110 40 0 GIABRN Cc1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)sc2c1 ZINC000027912249 570407649 /nfs/dbraw/zinc/40/76/49/570407649.db2.gz UKMZSFKUTXWSRB-LBPRGKRZSA-N 0 0 385.876 4.250 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222380963 570409226 /nfs/dbraw/zinc/40/92/26/570409226.db2.gz GJMCNBKZALUNNX-IBGZPJMESA-N 0 0 394.559 4.388 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222380905 570409239 /nfs/dbraw/zinc/40/92/39/570409239.db2.gz GJMCNBKZALUNNX-LJQANCHMSA-N 0 0 394.559 4.388 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222441843 570410875 /nfs/dbraw/zinc/41/08/75/570410875.db2.gz JYJGQAFGECVVOG-CQSZACIVSA-N 0 0 393.314 4.008 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C ZINC000222504733 570412954 /nfs/dbraw/zinc/41/29/54/570412954.db2.gz JOOFAHSHVQRDPG-QFIPXVFZSA-N 0 0 380.532 4.178 40 0 GIABRN CCCCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccoc1C ZINC000004860692 570413436 /nfs/dbraw/zinc/41/34/36/570413436.db2.gz MYTXIQLJKZXKMG-UHFFFAOYSA-N 0 0 391.522 4.142 40 0 GIABRN CCc1cccc(C)c1NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000222555666 570414246 /nfs/dbraw/zinc/41/42/46/570414246.db2.gz OWESRSODELELRH-UHFFFAOYSA-N 0 0 388.533 4.051 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000222610685 570416757 /nfs/dbraw/zinc/41/67/57/570416757.db2.gz JCIDOOAQQSHHTO-NFBKMPQASA-N 0 0 394.559 4.302 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000222608758 570416768 /nfs/dbraw/zinc/41/67/68/570416768.db2.gz HTEWNULOAXAXCJ-NRFANRHFSA-N 0 0 384.495 4.090 40 0 GIABRN CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC ZINC000007078188 570417384 /nfs/dbraw/zinc/41/73/84/570417384.db2.gz NQADZOYYKZFBHG-GRRFOWRYSA-N 0 0 376.884 4.492 40 0 GIABRN CCOc1ccc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1OC ZINC000222655968 570419015 /nfs/dbraw/zinc/41/90/15/570419015.db2.gz UBCUKUCNNCZUGC-XPGWFJOJSA-N 0 0 383.517 4.468 40 0 GIABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222656348 570419044 /nfs/dbraw/zinc/41/90/44/570419044.db2.gz IFEKVLAEINTKBM-MRXNPFEDSA-N 0 0 386.923 4.215 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000222655727 570419088 /nfs/dbraw/zinc/41/90/88/570419088.db2.gz IVOXAPXSXFSLHK-JOCHJYFZSA-N 0 0 398.522 4.317 40 0 GIABRN O=C(CN1CCC(c2nc3ccccc3s2)CC1)N1CCCc2ccccc21 ZINC000004966439 570420116 /nfs/dbraw/zinc/42/01/16/570420116.db2.gz IIPMPFXDIMNLHA-UHFFFAOYSA-N 0 0 391.540 4.455 40 0 GIABRN Cc1cc(C)cc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222674926 570420238 /nfs/dbraw/zinc/42/02/38/570420238.db2.gz IDPFQOYQSMYBQJ-IBGZPJMESA-N 0 0 380.532 4.178 40 0 GIABRN Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc(C)c1Cl ZINC000222693188 570421016 /nfs/dbraw/zinc/42/10/16/570421016.db2.gz UZOMHCJBXZSZGJ-LSDHHAIUSA-N 0 0 389.879 4.373 40 0 GIABRN C[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000222701062 570421248 /nfs/dbraw/zinc/42/12/48/570421248.db2.gz ALZWFWWFZLKUQQ-JKSUJKDBSA-N 0 0 377.440 4.256 40 0 GIABRN CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(OC)c(C)c1 ZINC000222718625 570422207 /nfs/dbraw/zinc/42/22/07/570422207.db2.gz NNPAKBBWRFPFGN-MRXNPFEDSA-N 0 0 398.322 4.196 40 0 GIABRN CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 ZINC000222728310 570422717 /nfs/dbraw/zinc/42/27/17/570422717.db2.gz MHKBTBMRZFYGPB-MSOLQXFVSA-N 0 0 391.525 4.084 40 0 GIABRN Cc1cc(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)ccc1Cl ZINC000222734456 570422899 /nfs/dbraw/zinc/42/28/99/570422899.db2.gz UALYJOGEFUIYGP-KGLIPLIRSA-N 0 0 375.852 4.064 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222746653 570423893 /nfs/dbraw/zinc/42/38/93/570423893.db2.gz QMNJOHJJDLANTR-QGZVFWFLSA-N 0 0 384.495 4.009 40 0 GIABRN Cc1cc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C)ccc1Cl ZINC000222755340 570424175 /nfs/dbraw/zinc/42/41/75/570424175.db2.gz MIFZMUJLYSFEBF-RBUKOAKNSA-N 0 0 382.920 4.436 40 0 GIABRN CCOc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)o2)cc1 ZINC000222758259 570424386 /nfs/dbraw/zinc/42/43/86/570424386.db2.gz RIEQACAJAHZBOU-PMACEKPBSA-N 0 0 379.485 4.343 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222775721 570425265 /nfs/dbraw/zinc/42/52/65/570425265.db2.gz MHWJOUNYLYIYOA-IBGZPJMESA-N 0 0 380.532 4.178 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222782593 570425526 /nfs/dbraw/zinc/42/55/26/570425526.db2.gz MVZMWZULZBTPOB-KRWDZBQOSA-N 0 0 384.495 4.009 40 0 GIABRN Cc1ccc(CN(C(=O)COc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222781096 570425555 /nfs/dbraw/zinc/42/55/55/570425555.db2.gz XIAHMPQELIEWSQ-IBGZPJMESA-N 0 0 396.531 4.014 40 0 GIABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000222821794 570427715 /nfs/dbraw/zinc/42/77/15/570427715.db2.gz XFTHYRAUOVJRSM-CYBMUJFWSA-N 0 0 379.287 4.047 40 0 GIABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F ZINC000222840502 570428464 /nfs/dbraw/zinc/42/84/64/570428464.db2.gz WBCZZZNUXTYNGA-UXHICEINSA-N 0 0 380.492 4.392 40 0 GIABRN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000025542267 570429321 /nfs/dbraw/zinc/42/93/21/570429321.db2.gz HEWMFRQFEUGQOK-STPRYWCXSA-N 0 0 390.520 4.072 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000222932542 570432052 /nfs/dbraw/zinc/43/20/52/570432052.db2.gz OWYPQAWEYHNOGC-QHCPKHFHSA-N 0 0 394.559 4.220 40 0 GIABRN COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1 ZINC000007928125 570432691 /nfs/dbraw/zinc/43/26/91/570432691.db2.gz VODCPMFGAIXGEG-GFCCVEGCSA-N 0 0 393.270 4.302 40 0 GIABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cn1 ZINC000222953602 570432876 /nfs/dbraw/zinc/43/28/76/570432876.db2.gz XEBZIWOXEQWURE-NHCUHLMSSA-N 0 0 391.544 4.348 40 0 GIABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1cccnc1 ZINC000222957768 570433151 /nfs/dbraw/zinc/43/31/51/570433151.db2.gz XCLRTNOWMQMTID-NHCUHLMSSA-N 0 0 391.544 4.348 40 0 GIABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000223004242 570436715 /nfs/dbraw/zinc/43/67/15/570436715.db2.gz OUACCXXWWGTOJW-INIZCTEOSA-N 0 0 385.489 4.231 40 0 GIABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 ZINC000223018307 570437460 /nfs/dbraw/zinc/43/74/60/570437460.db2.gz XVAJGZIQFJTQQG-PMACEKPBSA-N 0 0 384.549 4.007 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1 ZINC000223027591 570438195 /nfs/dbraw/zinc/43/81/95/570438195.db2.gz QMRGKEXHELYISL-IAGOWNOFSA-N 0 0 386.923 4.215 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 ZINC000223044244 570439435 /nfs/dbraw/zinc/43/94/35/570439435.db2.gz LLBAHFDZFYMBKI-JOCHJYFZSA-N 0 0 396.531 4.016 40 0 GIABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 ZINC000223047649 570439960 /nfs/dbraw/zinc/43/99/60/570439960.db2.gz MZDTYKZBCXBAHA-VQTJNVASSA-N 0 0 384.549 4.007 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C ZINC000223103503 570443732 /nfs/dbraw/zinc/44/37/32/570443732.db2.gz QPIQBJDABYFYJV-OAQYLSRUSA-N 0 0 396.531 4.051 40 0 GIABRN COc1ccc(CNC(=O)CCc2ccc(Cl)c(Cl)c2)c(OC)c1OC ZINC000124807620 570443864 /nfs/dbraw/zinc/44/38/64/570443864.db2.gz FWNGWOJZAATZNO-UHFFFAOYSA-N 0 0 398.286 4.268 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1 ZINC000223140184 570446291 /nfs/dbraw/zinc/44/62/91/570446291.db2.gz GJBDFBCUHKGNSM-FQEVSTJZSA-N 0 0 396.531 4.016 40 0 GIABRN O=c1oc2ccccc2cc1-c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000005557848 570446304 /nfs/dbraw/zinc/44/63/04/570446304.db2.gz AYNGZQBUNXAZGK-UHFFFAOYSA-N 0 0 377.421 4.261 40 0 GIABRN CCc1cccc(C)c1NC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O ZINC000008048910 570450056 /nfs/dbraw/zinc/45/00/56/570450056.db2.gz DRIQCVDJZCVMEL-UHFFFAOYSA-N 0 0 388.533 4.051 40 0 GIABRN CCOc1ccccc1CNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000223256199 570453658 /nfs/dbraw/zinc/45/36/58/570453658.db2.gz UZMNNPRUDMDHRP-UHFFFAOYSA-N 0 0 377.506 4.004 40 0 GIABRN CC1(C)OP23(NC(=O)O[C@]2(C(F)(F)F)c2ccccc2O3)OC1(C)C ZINC000005734306 570454081 /nfs/dbraw/zinc/45/40/81/570454081.db2.gz BUFOWDAGBMNHFW-CQSZACIVSA-N 0 0 379.271 4.351 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F ZINC000223269736 570454707 /nfs/dbraw/zinc/45/47/07/570454707.db2.gz DFIKIBIYCHXSLZ-OAQYLSRUSA-N 0 0 398.522 4.399 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 ZINC000223268296 570454794 /nfs/dbraw/zinc/45/47/94/570454794.db2.gz RHOKCOZLWCRHPW-OAQYLSRUSA-N 0 0 398.522 4.399 40 0 GIABRN COc1ccc(CCn2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC000005745623 570455043 /nfs/dbraw/zinc/45/50/43/570455043.db2.gz VZWDVUSHTBSUIG-UHFFFAOYSA-N 0 0 386.451 4.323 40 0 GIABRN CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223312058 570457650 /nfs/dbraw/zinc/45/76/50/570457650.db2.gz HCYWEECQXHSCFY-DENIHFKCSA-N 0 0 380.532 4.341 40 0 GIABRN COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1OC ZINC000223325850 570458520 /nfs/dbraw/zinc/45/85/20/570458520.db2.gz BJUKTJLNTZMIND-QGZVFWFLSA-N 0 0 397.515 4.099 40 0 GIABRN COc1cc2[nH]c(-c3ccc(I)cc3)nc2c(Cl)c1 ZINC000226343273 570459849 /nfs/dbraw/zinc/45/98/49/570459849.db2.gz HFECFVSBXTVVIO-UHFFFAOYSA-N 0 0 384.604 4.497 40 0 GIABRN CCCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCCOCC)c1ccccc1 ZINC000223345311 570460484 /nfs/dbraw/zinc/46/04/84/570460484.db2.gz FMMDCCSYRDZQQT-QHCPKHFHSA-N 0 0 396.531 4.099 40 0 GIABRN CCCC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NCC ZINC000223361431 570461798 /nfs/dbraw/zinc/46/17/98/570461798.db2.gz GMIKWOOBAXXNCS-FQEVSTJZSA-N 0 0 386.923 4.216 40 0 GIABRN CCOc1ccc(CCC(=O)Nc2nnc(SCC)s2)cc1OCC ZINC000223382098 570463161 /nfs/dbraw/zinc/46/31/61/570463161.db2.gz ZSZIXQPVPMNOKB-UHFFFAOYSA-N 0 0 381.523 4.019 40 0 GIABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)o2)cc1 ZINC000223407961 570464316 /nfs/dbraw/zinc/46/43/16/570464316.db2.gz IQZASWOQDRWMBD-WOJBJXKFSA-N 0 0 379.485 4.164 40 0 GIABRN CC[C@@H](C)Nc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000223413981 570464704 /nfs/dbraw/zinc/46/47/04/570464704.db2.gz GHCBGWFDAQWIHV-GFCCVEGCSA-N 0 0 396.896 4.138 40 0 GIABRN CC[C@H](C)Nc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000223414035 570464828 /nfs/dbraw/zinc/46/48/28/570464828.db2.gz GHCBGWFDAQWIHV-LBPRGKRZSA-N 0 0 396.896 4.138 40 0 GIABRN COC(=O)c1ccc(NCCC(C)C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000223412924 570464925 /nfs/dbraw/zinc/46/49/25/570464925.db2.gz XRSNQODQQBNUDQ-UHFFFAOYSA-N 0 0 390.505 4.040 40 0 GIABRN C[C@H](NC(=O)c1ccccc1NC(=O)COc1ccc(F)cc1)c1ccccc1 ZINC000006128531 570467211 /nfs/dbraw/zinc/46/72/11/570467211.db2.gz BEORCUPXPJCLGU-INIZCTEOSA-N 0 0 392.430 4.334 40 0 GIABRN Cc1cccc(C)c1NC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000035313926 570468310 /nfs/dbraw/zinc/46/83/10/570468310.db2.gz UTIIGYWSMOCPGE-UHFFFAOYSA-N 0 0 394.471 4.201 40 0 GIABRN CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C ZINC000223492570 570468789 /nfs/dbraw/zinc/46/87/89/570468789.db2.gz VNPCHWWKZFTHMK-SFTDATJTSA-N 0 0 391.544 4.088 40 0 GIABRN O=C(Nc1nc2c(ccc3ccccc23)s1)C1CCN(c2ncccn2)CC1 ZINC000035314875 570469105 /nfs/dbraw/zinc/46/91/05/570469105.db2.gz JIVMPLSZBMFCII-UHFFFAOYSA-N 0 0 389.484 4.095 40 0 GIABRN CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C ZINC000223532069 570469947 /nfs/dbraw/zinc/46/99/47/570469947.db2.gz KHYKNTUAADAXCD-SFTDATJTSA-N 0 0 391.544 4.088 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000223543604 570470457 /nfs/dbraw/zinc/47/04/57/570470457.db2.gz DNJXXDKMHFHPMZ-OAQYLSRUSA-N 0 0 394.559 4.304 40 0 GIABRN CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccccn1 ZINC000223544819 570470469 /nfs/dbraw/zinc/47/04/69/570470469.db2.gz AKCGOSDTNXYOCN-VQTJNVASSA-N 0 0 377.517 4.032 40 0 GIABRN COc1ccc(S(=O)(=O)NCCOc2cccc3ccccc32)cc1C(C)C ZINC000223558273 570471195 /nfs/dbraw/zinc/47/11/95/570471195.db2.gz VVLSCAIODUZWNR-UHFFFAOYSA-N 0 0 399.512 4.329 40 0 GIABRN CC(C)Oc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 ZINC000223666282 570477614 /nfs/dbraw/zinc/47/76/14/570477614.db2.gz BEJPZDHBIIELQB-UHFFFAOYSA-N 0 0 375.490 4.378 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCSCc1ccccc1 ZINC000223672305 570477902 /nfs/dbraw/zinc/47/79/02/570477902.db2.gz RNHVHYMTTGGSNP-IBGZPJMESA-N 0 0 398.572 4.172 40 0 GIABRN COC(=O)C1=CCCCN(C(c2ccccc2)c2ccccc2)C=C1C(=O)OC ZINC000006385108 570478776 /nfs/dbraw/zinc/47/87/76/570478776.db2.gz IXVWXGIZKSLUDS-UHFFFAOYSA-N 0 0 391.467 4.028 40 0 GIABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)cc1 ZINC000000779206 570479331 /nfs/dbraw/zinc/47/93/31/570479331.db2.gz CSFOSAIGNBXIDR-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 ZINC000223702960 570479836 /nfs/dbraw/zinc/47/98/36/570479836.db2.gz QSMVNHLGLJBUHA-JOCHJYFZSA-N 0 0 380.532 4.261 40 0 GIABRN O=C(NC1CCCCCC1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000006434018 570479983 /nfs/dbraw/zinc/47/99/83/570479983.db2.gz ZVWHDCFIFKPMCM-UHFFFAOYSA-N 0 0 390.480 4.079 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223741187 570482282 /nfs/dbraw/zinc/48/22/82/570482282.db2.gz RPJCGUCPLNOTCF-FQEVSTJZSA-N 0 0 392.543 4.404 40 0 GIABRN O=C(NC1CCCCC1)[C@]1(/C=C/c2ccccc2)CC(=O)N1c1ccc(F)cc1 ZINC000000800285 570482792 /nfs/dbraw/zinc/48/27/92/570482792.db2.gz MMDSUORJXPFWKN-QDEBQFNMSA-N 0 0 392.474 4.464 40 0 GIABRN CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)c1 ZINC000006564051 570483529 /nfs/dbraw/zinc/48/35/29/570483529.db2.gz SQUBDCHZIYNJHK-UHFFFAOYSA-N 0 0 383.517 4.201 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223757061 570483525 /nfs/dbraw/zinc/48/35/25/570483525.db2.gz XKWKVYBMJNSYEE-QGZVFWFLSA-N 0 0 386.923 4.053 40 0 GIABRN COC(=O)c1cc(S(=O)(=O)Nc2ccc3ccccc3c2)ccc1Cl ZINC000223826362 570485740 /nfs/dbraw/zinc/48/57/40/570485740.db2.gz JFQSQNXTDKNKAR-UHFFFAOYSA-N 0 0 375.833 4.081 40 0 GIABRN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000223841739 570486605 /nfs/dbraw/zinc/48/66/05/570486605.db2.gz BOLMAPZBWZQOOY-UHFFFAOYSA-N 0 0 394.663 4.234 40 0 GIABRN O=C(Nc1ccc(F)c(F)c1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223922011 570490016 /nfs/dbraw/zinc/49/00/16/570490016.db2.gz SBLJWGWXWGKYNV-UHFFFAOYSA-N 0 0 388.395 4.018 40 0 GIABRN Cc1ccccc1[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223929448 570490593 /nfs/dbraw/zinc/49/05/93/570490593.db2.gz HMOTWYMXUFZNKY-KRWDZBQOSA-N 0 0 394.496 4.287 40 0 GIABRN CCCc1ccc(OCCNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000223980622 570492929 /nfs/dbraw/zinc/49/29/29/570492929.db2.gz FMYGOPNWUQMFGF-UHFFFAOYSA-N 0 0 388.316 4.303 40 0 GIABRN CCC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000224006971 570494184 /nfs/dbraw/zinc/49/41/84/570494184.db2.gz SHNQGPMAHGGLGO-CQSZACIVSA-N 0 0 394.924 4.368 40 0 GIABRN O=C(Cc1ccc(Cl)cc1F)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000224014467 570494364 /nfs/dbraw/zinc/49/43/64/570494364.db2.gz MAJHERDPLFOFHB-UHFFFAOYSA-N 0 0 380.206 4.041 40 0 GIABRN Cc1ccc(C)c(OCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000224012767 570494402 /nfs/dbraw/zinc/49/44/02/570494402.db2.gz QDKNPKZGSRRWFE-UHFFFAOYSA-N 0 0 388.316 4.109 40 0 GIABRN Cc1ccc(C)c(OCCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 ZINC000224030638 570495555 /nfs/dbraw/zinc/49/55/55/570495555.db2.gz YBFGWQGOIIZYKC-OAHLLOKOSA-N 0 0 392.293 4.028 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000224067101 570496839 /nfs/dbraw/zinc/49/68/39/570496839.db2.gz RSBHJASHTCCMBC-HSZRJFAPSA-N 0 0 394.559 4.304 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)cc1C ZINC000224075667 570497203 /nfs/dbraw/zinc/49/72/03/570497203.db2.gz CHSRSEOYRVMKAQ-SFHVURJKSA-N 0 0 398.522 4.317 40 0 GIABRN Cc1cc(C)cc(OCCNS(=O)(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000224083604 570497631 /nfs/dbraw/zinc/49/76/31/570497631.db2.gz RBAIVMIHNJPVBC-UHFFFAOYSA-N 0 0 388.316 4.109 40 0 GIABRN COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccccc1 ZINC000224088708 570498017 /nfs/dbraw/zinc/49/80/17/570498017.db2.gz RQOAXWDOXMNEKC-UHFFFAOYSA-N 0 0 377.396 4.255 40 0 GIABRN O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cc2ccccc2o1 ZINC000006886018 570498247 /nfs/dbraw/zinc/49/82/47/570498247.db2.gz DCQRLROROZNOEQ-UHFFFAOYSA-N 0 0 382.375 4.486 40 0 GIABRN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2c(OC)cccc2OC)c1 ZINC000006939138 570499372 /nfs/dbraw/zinc/49/93/72/570499372.db2.gz NVTNZMBLGSORBS-LBPRGKRZSA-N 0 0 388.489 4.050 40 0 GIABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000224115710 570499444 /nfs/dbraw/zinc/49/94/44/570499444.db2.gz NJIXDJBZZYYDPH-QHCPKHFHSA-N 0 0 392.543 4.485 40 0 GIABRN C[C@@H](CNC(=O)COc1ccc(Cl)cc1Br)c1ccccc1 ZINC000007031741 570499981 /nfs/dbraw/zinc/49/99/81/570499981.db2.gz PJVXFQMAPKZFCE-LBPRGKRZSA-N 0 0 382.685 4.401 40 0 GIABRN Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(F)c3)c2)c1 ZINC000224134741 570500019 /nfs/dbraw/zinc/50/00/19/570500019.db2.gz GFYFAHNMXZVROB-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccccn2)N1c1ccccc1 ZINC000224153797 570501200 /nfs/dbraw/zinc/50/12/00/570501200.db2.gz GEMMCZOCYCTSJE-FCHUYYIVSA-N 0 0 397.507 4.444 40 0 GIABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1C ZINC000224154494 570501213 /nfs/dbraw/zinc/50/12/13/570501213.db2.gz CDNZJINVOWDUQW-HSZRJFAPSA-N 0 0 392.543 4.404 40 0 GIABRN COc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccccc1C(C)(C)C ZINC000224167471 570501754 /nfs/dbraw/zinc/50/17/54/570501754.db2.gz ZDSJJKDIIORXDK-LJQANCHMSA-N 0 0 397.515 4.481 40 0 GIABRN CC[C@H](Oc1ccccc1OC)C(=O)NCCOc1ccc(C)c(Cl)c1 ZINC000224169327 570501949 /nfs/dbraw/zinc/50/19/49/570501949.db2.gz JRJWUBUCWWUVIS-KRWDZBQOSA-N 0 0 377.868 4.010 40 0 GIABRN CC(C)(C)c1ccc(OCCNS(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000224176538 570502306 /nfs/dbraw/zinc/50/23/06/570502306.db2.gz YMTCGLMXCHHGPF-UHFFFAOYSA-N 0 0 381.925 4.136 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 ZINC000224179803 570502753 /nfs/dbraw/zinc/50/27/53/570502753.db2.gz DPJAUEVQVKFYKE-HXUWFJFHSA-N 0 0 386.923 4.134 40 0 GIABRN CCCC(=O)Nc1sc(C(=O)Nc2cccc(C)c2C)c(C)c1C(=O)OC ZINC000000872012 570502820 /nfs/dbraw/zinc/50/28/20/570502820.db2.gz MFFFTZXSRKPSAS-UHFFFAOYSA-N 0 0 388.489 4.451 40 0 GIABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 ZINC000224199275 570503438 /nfs/dbraw/zinc/50/34/38/570503438.db2.gz JGJGFVHAUCTZKG-HSZRJFAPSA-N 0 0 392.543 4.404 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000224211418 570503687 /nfs/dbraw/zinc/50/36/87/570503687.db2.gz RCWFBWBOOIZQSN-QFIPXVFZSA-N 0 0 380.532 4.098 40 0 GIABRN CCN1CCN(C(=O)c2ccc(OC)c(COc3ccccc3C(C)C)c2)CC1 ZINC000224234899 570505050 /nfs/dbraw/zinc/50/50/50/570505050.db2.gz PSSSSSHMDZBFKJ-UHFFFAOYSA-N 0 0 396.531 4.175 40 0 GIABRN Cc1ccc(C)c(NC(=O)CSc2nnc3c4cc(C)cc(C)c4[nH]c3n2)c1 ZINC000000877604 570505158 /nfs/dbraw/zinc/50/51/58/570505158.db2.gz PDSVTJJNUDJQFF-UHFFFAOYSA-N 0 0 391.500 4.471 40 0 GIABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CC ZINC000224242679 570505406 /nfs/dbraw/zinc/50/54/06/570505406.db2.gz UHNJTWFSEGGZMK-HXUWFJFHSA-N 0 0 386.923 4.216 40 0 GIABRN Cc1cc2cc(CN(Cc3ccco3)C(=S)NCC(C)C)c(=O)[nH]c2cc1C ZINC000000878768 570505509 /nfs/dbraw/zinc/50/55/09/570505509.db2.gz SJOIDNPGFCWULR-UHFFFAOYSA-N 0 0 397.544 4.271 40 0 GIABRN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000224256850 570505896 /nfs/dbraw/zinc/50/58/96/570505896.db2.gz ROFRVSAQZTWIBB-KRXBUXKQSA-N 0 0 385.832 4.239 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000224267695 570506673 /nfs/dbraw/zinc/50/66/73/570506673.db2.gz NSAPXPHREXACSO-JOCHJYFZSA-N 0 0 380.532 4.098 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl ZINC000224266647 570506874 /nfs/dbraw/zinc/50/68/74/570506874.db2.gz XADZRVAWVZLRPB-HXUWFJFHSA-N 0 0 386.923 4.134 40 0 GIABRN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000000882330 570508162 /nfs/dbraw/zinc/50/81/62/570508162.db2.gz GAWVFYNOFWVFDG-GFCCVEGCSA-N 0 0 385.876 4.460 40 0 GIABRN Cc1cc(C)cc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224315070 570508774 /nfs/dbraw/zinc/50/87/74/570508774.db2.gz TZSUSXGJQQSMFM-LJQANCHMSA-N 0 0 398.522 4.175 40 0 GIABRN Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 ZINC000007608222 570510081 /nfs/dbraw/zinc/51/00/81/570510081.db2.gz GDVKTURQCOGCTK-UHFFFAOYSA-N 0 0 386.517 4.039 40 0 GIABRN COc1ccc(C(=O)N2CCOCC2)cc1CSc1ccc(Cl)cc1 ZINC000224389672 570511601 /nfs/dbraw/zinc/51/16/01/570511601.db2.gz RACVUXKBZMMKJK-UHFFFAOYSA-N 0 0 377.893 4.113 40 0 GIABRN CCOc1ccc(CCC(=O)NCCOc2ccc(Cl)cc2)cc1OCC ZINC000224393792 570512128 /nfs/dbraw/zinc/51/21/28/570512128.db2.gz UBBGCGUIMHXTTA-UHFFFAOYSA-N 0 0 391.895 4.265 40 0 GIABRN O=C(CSCc1ccc(Br)cc1)NCCc1ccc(F)cc1 ZINC000032793724 570514030 /nfs/dbraw/zinc/51/40/30/570514030.db2.gz SLNDOUGILDPEOO-UHFFFAOYSA-N 0 0 382.298 4.180 40 0 GIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000224467332 570514850 /nfs/dbraw/zinc/51/48/50/570514850.db2.gz DPTKUBRDMOFINV-LJQANCHMSA-N 0 0 387.907 4.362 40 0 GIABRN CCOc1ccc(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1Cl ZINC000224467708 570514925 /nfs/dbraw/zinc/51/49/25/570514925.db2.gz CHGPGXACLUKTRA-UHFFFAOYSA-N 0 0 392.242 4.372 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)COc3ccc4ccccc4c3)n2)c1 ZINC000007759259 570514908 /nfs/dbraw/zinc/51/49/08/570514908.db2.gz VOUYSLCFEGNVTN-UHFFFAOYSA-N 0 0 387.439 4.236 40 0 GIABRN Cc1cc(OCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)ccc1Cl ZINC000007759479 570514921 /nfs/dbraw/zinc/51/49/21/570514921.db2.gz QKGYRDWPQHTBCG-UHFFFAOYSA-N 0 0 392.242 4.047 40 0 GIABRN C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000007759806 570514944 /nfs/dbraw/zinc/51/49/44/570514944.db2.gz CTSOTCMDYNRSMP-NSHDSACASA-N 0 0 392.242 4.127 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)COc3cc(C)cc(C)c3C)n2)cc1 ZINC000007759676 570514962 /nfs/dbraw/zinc/51/49/62/570514962.db2.gz CJXJVPIXIZXXPW-UHFFFAOYSA-N 0 0 379.460 4.008 40 0 GIABRN CC[C@H]1CCCCN1C(=O)CSc1nnc2c(C)cc3ccc(C)cc3n12 ZINC000000903090 570515059 /nfs/dbraw/zinc/51/50/59/570515059.db2.gz GLJSOWOMHHIMNY-KRWDZBQOSA-N 0 0 382.533 4.383 40 0 GIABRN Cc1cc2ccc(C)c(C)c2n2c(SCC(=O)NC3CCCCC3)nnc12 ZINC000000903148 570515102 /nfs/dbraw/zinc/51/51/02/570515102.db2.gz ADTJHNMHIISCOC-UHFFFAOYSA-N 0 0 382.533 4.349 40 0 GIABRN CCOc1ccc(C(=O)N[C@H](C)COC)cc1COc1ccccc1Cl ZINC000224484117 570515196 /nfs/dbraw/zinc/51/51/96/570515196.db2.gz XWNZZJRVPRSOLZ-CQSZACIVSA-N 0 0 377.868 4.082 40 0 GIABRN Cc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)n2)c1 ZINC000007780974 570515712 /nfs/dbraw/zinc/51/57/12/570515712.db2.gz QMHQCVNPLLTMDI-CQSZACIVSA-N 0 0 385.851 4.091 40 0 GIABRN CCOc1ccc(C(=O)N[C@@H](C)COC)cc1COc1ccc(Cl)cc1 ZINC000224505712 570516034 /nfs/dbraw/zinc/51/60/34/570516034.db2.gz HUTFWFCBLVEMSB-AWEZNQCLSA-N 0 0 377.868 4.082 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000224554388 570518149 /nfs/dbraw/zinc/51/81/49/570518149.db2.gz IWAPXQZZCVQQNI-QFIPXVFZSA-N 0 0 380.532 4.117 40 0 GIABRN CCOc1ccc(C(=O)NCc2ccco2)cc1COc1cccc(OC)c1 ZINC000224585772 570519500 /nfs/dbraw/zinc/51/95/00/570519500.db2.gz UWHXCLLQBPLQTB-UHFFFAOYSA-N 0 0 381.428 4.196 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C ZINC000224630085 570521481 /nfs/dbraw/zinc/52/14/81/570521481.db2.gz HDBDDWLPNUTTLX-QHCPKHFHSA-N 0 0 394.559 4.426 40 0 GIABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000008168534 570523053 /nfs/dbraw/zinc/52/30/53/570523053.db2.gz ADKHKUNDFCGRBA-UHFFFAOYSA-N 0 0 385.272 4.137 40 0 GIABRN CCc1ccc(CCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000224668915 570523662 /nfs/dbraw/zinc/52/36/62/570523662.db2.gz DFABSRPBCJUEJH-SFHVURJKSA-N 0 0 398.522 4.263 40 0 GIABRN CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1COCC(C)C ZINC000224739377 570528033 /nfs/dbraw/zinc/52/80/33/570528033.db2.gz PSCVYYPYVITGTA-UHFFFAOYSA-N 0 0 385.460 4.297 40 0 GIABRN CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COCC(C)C ZINC000224739051 570528072 /nfs/dbraw/zinc/52/80/72/570528072.db2.gz KEGUGBSXGZIAPQ-UHFFFAOYSA-N 0 0 385.460 4.281 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 ZINC000224741938 570528534 /nfs/dbraw/zinc/52/85/34/570528534.db2.gz HCYLAGXOTIMLLV-IBGZPJMESA-N 0 0 398.572 4.339 40 0 GIABRN C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccccc3)ccc2N1C(=O)c1ccccc1 ZINC000028206817 570528727 /nfs/dbraw/zinc/52/87/27/570528727.db2.gz LPCHFASUIINERD-MRXNPFEDSA-N 0 0 392.480 4.079 40 0 GIABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)o2)c(OC)c1 ZINC000224794161 570530798 /nfs/dbraw/zinc/53/07/98/570530798.db2.gz YZXUWZQSCQSUDF-VQTJNVASSA-N 0 0 395.484 4.177 40 0 GIABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccs2)c(OC)c1 ZINC000224794323 570531202 /nfs/dbraw/zinc/53/12/02/570531202.db2.gz AGQXHOYTMRJDOV-MOPGFXCFSA-N 0 0 397.525 4.337 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 ZINC000224812304 570531871 /nfs/dbraw/zinc/53/18/71/570531871.db2.gz UWSPWHZHTJSFCS-QGZVFWFLSA-N 0 0 386.923 4.134 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 ZINC000224840626 570533319 /nfs/dbraw/zinc/53/33/19/570533319.db2.gz ASTOWMWINZZLGI-KRWDZBQOSA-N 0 0 386.923 4.134 40 0 GIABRN O=C(Nc1ccccc1F)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000000918222 570534133 /nfs/dbraw/zinc/53/41/33/570534133.db2.gz HYLHYCTVEIXXNY-UHFFFAOYSA-N 0 0 390.296 4.400 40 0 GIABRN O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)N1CCCCC1 ZINC000000917895 570534345 /nfs/dbraw/zinc/53/43/45/570534345.db2.gz YXNGBBXZEVBZCA-UHFFFAOYSA-N 0 0 385.411 4.250 40 0 GIABRN O=C(CCc1ncc(-c2cccc(Br)c2)o1)N1CCCCCC1 ZINC000224888644 570536436 /nfs/dbraw/zinc/53/64/36/570536436.db2.gz UCPDWGCVYGYOGX-UHFFFAOYSA-N 0 0 377.282 4.439 40 0 GIABRN CCC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224901294 570537380 /nfs/dbraw/zinc/53/73/80/570537380.db2.gz GTRDLLNTLRBKSC-HXUWFJFHSA-N 0 0 386.923 4.215 40 0 GIABRN CC(C)(C)c1ccc(OCCNC(=O)CCCc2ccc3c(c2)OCCO3)cc1 ZINC000224945990 570539114 /nfs/dbraw/zinc/53/91/14/570539114.db2.gz VADVWRQAFOHLJC-UHFFFAOYSA-N 0 0 397.515 4.273 40 0 GIABRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCCc1ccccc1 ZINC000224964361 570539916 /nfs/dbraw/zinc/53/99/16/570539916.db2.gz PBSPKUGRCPMAPO-XLNRJJMWSA-N 0 0 388.467 4.108 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2cccc(Cl)c2Cl)cc1Cl ZINC000224966568 570540480 /nfs/dbraw/zinc/54/04/80/570540480.db2.gz KIUVLRHYNVBULE-UHFFFAOYSA-N 0 0 380.680 4.481 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000224973032 570541044 /nfs/dbraw/zinc/54/10/44/570541044.db2.gz ZWDUYMJGWQTZDL-HSZRJFAPSA-N 0 0 394.559 4.160 40 0 GIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224982519 570541456 /nfs/dbraw/zinc/54/14/56/570541456.db2.gz KUCXHRYRYIBQJK-NRFANRHFSA-N 0 0 384.495 4.090 40 0 GIABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000225001062 570542599 /nfs/dbraw/zinc/54/25/99/570542599.db2.gz YVPMCJNMYNNTGG-QGZVFWFLSA-N 0 0 376.456 4.082 40 0 GIABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000225005085 570542969 /nfs/dbraw/zinc/54/29/69/570542969.db2.gz VRQHGUXOYKVZCO-QHCPKHFHSA-N 0 0 390.483 4.473 40 0 GIABRN CCOc1ccc(NC(=O)c2ccc(C)cc2I)cc1 ZINC000225010322 570543472 /nfs/dbraw/zinc/54/34/72/570543472.db2.gz SCJUSTKEFZEGHD-UHFFFAOYSA-N 0 0 381.213 4.251 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225012235 570543445 /nfs/dbraw/zinc/54/34/45/570543445.db2.gz PVAJGFKARZLULC-VQTJNVASSA-N 0 0 380.532 4.178 40 0 GIABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000225015987 570543724 /nfs/dbraw/zinc/54/37/24/570543724.db2.gz ISAYUBFLPQUUSU-GOSISDBHSA-N 0 0 382.504 4.361 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 ZINC000225052399 570545317 /nfs/dbraw/zinc/54/53/17/570545317.db2.gz GJFIDOVKOYRUTH-PMACEKPBSA-N 0 0 380.532 4.178 40 0 GIABRN CCCOc1ccccc1CCCNS(=O)(=O)c1cc(Cl)ccc1OC ZINC000225056853 570545627 /nfs/dbraw/zinc/54/56/27/570545627.db2.gz GSALQTNJEQBJPU-UHFFFAOYSA-N 0 0 397.924 4.049 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 ZINC000225054043 570545713 /nfs/dbraw/zinc/54/57/13/570545713.db2.gz FAFVMGTVXLWMRV-RBUKOAKNSA-N 0 0 398.572 4.419 40 0 GIABRN COC(=O)c1ccc(Cl)c(N(C)S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000225064161 570546218 /nfs/dbraw/zinc/54/62/18/570546218.db2.gz KVPZYSNDEYDMIW-UHFFFAOYSA-N 0 0 389.860 4.105 40 0 GIABRN COc1cc(N(C)S(=O)(=O)c2ccc3ccccc3c2)c(OC)cc1Cl ZINC000225067460 570546568 /nfs/dbraw/zinc/54/65/68/570546568.db2.gz KZGVTZCRNDLMAD-UHFFFAOYSA-N 0 0 391.876 4.336 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225077799 570547463 /nfs/dbraw/zinc/54/74/63/570547463.db2.gz IRTVHRIVESJOHL-LEWJYISDSA-N 0 0 394.559 4.486 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 ZINC000225092569 570547901 /nfs/dbraw/zinc/54/79/01/570547901.db2.gz FAHICYPFDWUHHR-VQTJNVASSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225092780 570548443 /nfs/dbraw/zinc/54/84/43/570548443.db2.gz GRCPLLBFFLKIRV-RTWAWAEBSA-N 0 0 394.559 4.486 40 0 GIABRN CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225114790 570549690 /nfs/dbraw/zinc/54/96/90/570549690.db2.gz MIWKAWPTIWZZNI-UHFFFAOYSA-N 0 0 378.252 4.356 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1 ZINC000225128937 570550954 /nfs/dbraw/zinc/55/09/54/570550954.db2.gz CNFHTDYLWBTSTB-UXHICEINSA-N 0 0 396.531 4.014 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)c(C)c1C ZINC000225174819 570553594 /nfs/dbraw/zinc/55/35/94/570553594.db2.gz SURBBFOHGXUKDY-UHFFFAOYSA-N 0 0 382.485 4.099 40 0 GIABRN COc1cc(C)c(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)c(C)c1 ZINC000225174980 570553667 /nfs/dbraw/zinc/55/36/67/570553667.db2.gz MOVQBRZJUJCJRA-UHFFFAOYSA-N 0 0 382.485 4.099 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 ZINC000225193031 570554898 /nfs/dbraw/zinc/55/48/98/570554898.db2.gz DTVQJVLVOOOAAR-OAQYLSRUSA-N 0 0 384.495 4.010 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 ZINC000225194619 570555258 /nfs/dbraw/zinc/55/52/58/570555258.db2.gz NLGGBKSOEKNIPN-HXUWFJFHSA-N 0 0 386.923 4.216 40 0 GIABRN CCCCc1ccc(NC(=S)N2CCN(Cc3cccc(O)c3)CC2)cc1 ZINC000225220525 570557575 /nfs/dbraw/zinc/55/75/75/570557575.db2.gz KUFIYKWFKHRFAL-UHFFFAOYSA-N 0 0 383.561 4.249 40 0 GIABRN COc1ccc(OC[C@H](C)NC(=S)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000225265598 570560033 /nfs/dbraw/zinc/56/00/33/570560033.db2.gz CWDFYASVUKQZSU-LBPRGKRZSA-N 0 0 380.897 4.111 40 0 GIABRN CC[C@@H](NS(=O)(=O)c1ccc2cc(OC)ccc2c1)c1ccc(OC)cc1 ZINC000225315066 570564405 /nfs/dbraw/zinc/56/44/05/570564405.db2.gz XXUCPOZDTKUUEU-OAQYLSRUSA-N 0 0 385.485 4.287 40 0 GIABRN Cc1ccc(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1C ZINC000010009792 570564546 /nfs/dbraw/zinc/56/45/46/570564546.db2.gz FAFKSXKQLKINQP-UHFFFAOYSA-N 0 0 386.495 4.457 40 0 GIABRN Cc1cc2cc(C)c(C)cc2n2c(SCC(=O)N3CCC[C@@H](C)C3)nnc12 ZINC000001223247 570564953 /nfs/dbraw/zinc/56/49/53/570564953.db2.gz BMVBXLPFDBTTRO-CYBMUJFWSA-N 0 0 382.533 4.158 40 0 GIABRN CCOc1cc(NC(=O)CC)c(OCC)cc1NC(=O)/C=C/c1ccccc1 ZINC000001223679 570565044 /nfs/dbraw/zinc/56/50/44/570565044.db2.gz XVAAHPOYVQFQCX-OUKQBFOZSA-N 0 0 382.460 4.484 40 0 GIABRN COc1cc(C)c(S(=O)(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c(C)c1 ZINC000225336550 570565278 /nfs/dbraw/zinc/56/52/78/570565278.db2.gz BCRZTMJDYQGDOS-SFHVURJKSA-N 0 0 389.517 4.201 40 0 GIABRN CCOc1ccccc1N1C(=O)C[C@@H](Nc2ccc(Cl)cc2Cl)C1=O ZINC000036635683 570566555 /nfs/dbraw/zinc/56/65/55/570566555.db2.gz QJIRJKOQMBGQHD-CQSZACIVSA-N 0 0 379.243 4.136 40 0 GIABRN CC(C)(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000001327146 570567013 /nfs/dbraw/zinc/56/70/13/570567013.db2.gz IAKMFXRVGAHHQU-UHFFFAOYSA-N 0 0 397.544 4.429 40 0 GIABRN COc1ccc(S(=O)(=O)N(c2ccc(C)cc2C)C2=NCCCS2)cc1 ZINC000001327929 570567295 /nfs/dbraw/zinc/56/72/95/570567295.db2.gz XVFNDJVHLBAGRF-UHFFFAOYSA-N 0 0 390.530 4.000 40 0 GIABRN O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000225399145 570569969 /nfs/dbraw/zinc/56/99/69/570569969.db2.gz XANXSIDOBIROSQ-UHFFFAOYSA-N 0 0 398.311 4.428 40 0 GIABRN CC(=O)c1cccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(C)cc2C)c1 ZINC000001343591 570571406 /nfs/dbraw/zinc/57/14/06/570571406.db2.gz ZZBSMMBSHNOYBX-FQEVSTJZSA-N 0 0 379.460 4.141 40 0 GIABRN COC(=O)c1ccc(C)c(NC(=S)NCCSCc2ccccc2F)c1 ZINC000225412624 570571537 /nfs/dbraw/zinc/57/15/37/570571537.db2.gz ZOHVHKBJFKFCMK-UHFFFAOYSA-N 0 0 392.521 4.141 40 0 GIABRN CCOc1ccccc1NC(=O)Nc1cccn(Cc2ccc(C)cc2)c1=O ZINC000001354102 570573773 /nfs/dbraw/zinc/57/37/73/570573773.db2.gz SSMSUECVIBKIPP-UHFFFAOYSA-N 0 0 377.444 4.248 40 0 GIABRN COc1cccc(Cn2cccc(NC(=O)Nc3ccc(SC)cc3)c2=O)c1 ZINC000001354197 570573840 /nfs/dbraw/zinc/57/38/40/570573840.db2.gz TUSZEXHFLQYTGC-UHFFFAOYSA-N 0 0 395.484 4.271 40 0 GIABRN CCOc1cccc(CNC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)c1 ZINC000225440681 570574430 /nfs/dbraw/zinc/57/44/30/570574430.db2.gz PBMAALXGANKOTF-UHFFFAOYSA-N 0 0 383.517 4.007 40 0 GIABRN CCOC(=O)c1cc(NC(=S)NCc2cccc(OCC)c2)ccc1Cl ZINC000225440285 570574657 /nfs/dbraw/zinc/57/46/57/570574657.db2.gz XVLQUECVGSNTEB-UHFFFAOYSA-N 0 0 392.908 4.402 40 0 GIABRN Cc1ccc2cc(CN(Cc3cccs3)C(=O)C(F)(F)F)c(=O)[nH]c2c1C ZINC000001359447 570575693 /nfs/dbraw/zinc/57/56/93/570575693.db2.gz OJFLFKHACSHAGR-UHFFFAOYSA-N 0 0 394.418 4.298 40 0 GIABRN Cc1ccc2cc(CN(C(=O)C(F)(F)F)C3CCCCC3)c(=O)[nH]c2c1C ZINC000001359413 570575705 /nfs/dbraw/zinc/57/57/05/570575705.db2.gz AEZKTBODQWHDPM-UHFFFAOYSA-N 0 0 380.410 4.369 40 0 GIABRN Cc1occc1-c1nnc(SCC(=O)NC2CCCC2)n1-c1cccc(C)c1 ZINC000001361192 570576069 /nfs/dbraw/zinc/57/60/69/570576069.db2.gz HHUANHOQVASBDX-UHFFFAOYSA-N 0 0 396.516 4.295 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225457569 570576291 /nfs/dbraw/zinc/57/62/91/570576291.db2.gz XMEITLIVSMROEG-SFTDATJTSA-N 0 0 394.559 4.220 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C ZINC000225457784 570576311 /nfs/dbraw/zinc/57/63/11/570576311.db2.gz PAHCFRVJYQAQSV-CTNGQTDRSA-N 0 0 396.531 4.096 40 0 GIABRN O=S(=O)(c1cc(Br)c2cccc3c2c1CCC3)N1CCCCC1 ZINC000011565940 570576569 /nfs/dbraw/zinc/57/65/69/570576569.db2.gz UUHCKAFMLBFPRG-UHFFFAOYSA-N 0 0 394.334 4.266 40 0 GIABRN COc1ccccc1C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000001363822 570577619 /nfs/dbraw/zinc/57/76/19/570577619.db2.gz ZJNGHUMWDROUTL-HNNXBMFYSA-N 0 0 397.862 4.418 40 0 GIABRN COc1ccccc1C(=O)N1CCC[C@H](c2nc(-c3ccc(C)cc3)no2)C1 ZINC000001363447 570577722 /nfs/dbraw/zinc/57/77/22/570577722.db2.gz OMNUZNSAJVMYHH-KRWDZBQOSA-N 0 0 377.444 4.073 40 0 GIABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000225470575 570577758 /nfs/dbraw/zinc/57/77/58/570577758.db2.gz XAYDPPLUZRPKOS-INIZCTEOSA-N 0 0 391.471 4.041 40 0 GIABRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl ZINC000225473256 570578037 /nfs/dbraw/zinc/57/80/37/570578037.db2.gz UKOBOTIIVIWPBP-KRWDZBQOSA-N 0 0 386.923 4.215 40 0 GIABRN CCCn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1ccco1 ZINC000001364384 570578085 /nfs/dbraw/zinc/57/80/85/570578085.db2.gz YXNGTYWDNHYFAF-UHFFFAOYSA-N 0 0 386.477 4.078 40 0 GIABRN Cc1ccc(SCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225477399 570578450 /nfs/dbraw/zinc/57/84/50/570578450.db2.gz UKFCMGVDUDEFRM-LJQANCHMSA-N 0 0 398.572 4.337 40 0 GIABRN O=C(COc1cccc2c1CCCC2)Nc1ccccc1C(=O)N1CCCCC1 ZINC000225491112 570579491 /nfs/dbraw/zinc/57/94/91/570579491.db2.gz VJAUJLFYIRSKAU-UHFFFAOYSA-N 0 0 392.499 4.209 40 0 GIABRN Cc1cc(C)c2c(c1)cc(CN(C(=O)c1ccco1)C1CCCC1)c1nnnn12 ZINC000001367217 570580020 /nfs/dbraw/zinc/58/00/20/570580020.db2.gz WEHZGTMTLYEHFE-UHFFFAOYSA-N 0 0 389.459 4.072 40 0 GIABRN Cc1cc(C)cc(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)c1 ZINC000225496295 570580160 /nfs/dbraw/zinc/58/01/60/570580160.db2.gz WQYLPXGJADOUKM-HXUWFJFHSA-N 0 0 380.532 4.096 40 0 GIABRN Cc1cccc(CN(C(=O)CSc2ccccc2)[C@H](C)C(=O)NC(C)C)c1 ZINC000225496979 570580673 /nfs/dbraw/zinc/58/06/73/570580673.db2.gz LRWLVYARUNOGBH-GOSISDBHSA-N 0 0 384.545 4.029 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCC(C)C)c2)cc1 ZINC000038756368 570582660 /nfs/dbraw/zinc/58/26/60/570582660.db2.gz UGTKDCCISMFNHD-UHFFFAOYSA-N 0 0 394.924 4.225 40 0 GIABRN CCC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000038756023 570582801 /nfs/dbraw/zinc/58/28/01/570582801.db2.gz AAEXVUITIDESHR-ZDUSSCGKSA-N 0 0 380.897 4.059 40 0 GIABRN CC(C)Oc1cccc(CNC(=S)Nc2ccc(N3CCCC3=O)cc2)c1 ZINC000225524430 570583596 /nfs/dbraw/zinc/58/35/96/570583596.db2.gz FHQZZLQNWGVBOW-UHFFFAOYSA-N 0 0 383.517 4.087 40 0 GIABRN COCCC1(NC(=S)Nc2ccc(Br)cc2F)CCCC1 ZINC000225861171 570627867 /nfs/dbraw/zinc/62/78/67/570627867.db2.gz HKVYBSRRJUFQTO-UHFFFAOYSA-N 0 0 375.307 4.224 40 0 GIABRN COc1ccc([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2)cc1OC ZINC000038772987 570583639 /nfs/dbraw/zinc/58/36/39/570583639.db2.gz CYYCOLXBACEOCQ-CYBMUJFWSA-N 0 0 379.909 4.468 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 ZINC000225526919 570583937 /nfs/dbraw/zinc/58/39/37/570583937.db2.gz LCSJDNRUGROYFH-SIKLNZKXSA-N 0 0 396.531 4.096 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 ZINC000225525455 570583999 /nfs/dbraw/zinc/58/39/99/570583999.db2.gz FLADOUAJDUOYGH-PGRDOPGGSA-N 0 0 398.522 4.399 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 ZINC000225556812 570587883 /nfs/dbraw/zinc/58/78/83/570587883.db2.gz OKQORIYTASJWBG-SIKLNZKXSA-N 0 0 380.532 4.260 40 0 GIABRN COc1ccc(NC(=S)NCCCSCc2ccccc2F)c(OC)c1 ZINC000225611833 570593791 /nfs/dbraw/zinc/59/37/91/570593791.db2.gz FKFJJJUCKNYPRA-UHFFFAOYSA-N 0 0 394.537 4.453 40 0 GIABRN C[C@@H](c1nc2ccccc2n1CCCCOc1ccccc1)N1CCOCC1 ZINC000039917026 570593998 /nfs/dbraw/zinc/59/39/98/570593998.db2.gz OUTKYVIRESPEOQ-IBGZPJMESA-N 0 0 379.504 4.289 40 0 GIABRN Cc1cc(NC(=S)NCCCOC2CCCCC2)ccc1N1CCCC1=O ZINC000225618449 570594676 /nfs/dbraw/zinc/59/46/76/570594676.db2.gz IVRIAKFYJYWOKA-UHFFFAOYSA-N 0 0 389.565 4.148 40 0 GIABRN COc1cc(C)c(C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1C(C)C ZINC000225670032 570601148 /nfs/dbraw/zinc/60/11/48/570601148.db2.gz SPXGHRFZUSEUQM-UHFFFAOYSA-N 0 0 379.460 4.449 40 0 GIABRN Cc1ccc(C)c(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)c1 ZINC000225690173 570603615 /nfs/dbraw/zinc/60/36/15/570603615.db2.gz UJPBBDVMZZEPRX-LJQANCHMSA-N 0 0 398.522 4.175 40 0 GIABRN CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000225702513 570606026 /nfs/dbraw/zinc/60/60/26/570606026.db2.gz MLPDUGUYJOSABO-JOCHJYFZSA-N 0 0 390.524 4.002 40 0 GIABRN COC(=O)c1cccc(NC(=S)N[C@H]2CCCc3cc(OC)ccc32)c1C ZINC000225703806 570606109 /nfs/dbraw/zinc/60/61/09/570606109.db2.gz YTOFOKQWRXUCKV-IBGZPJMESA-N 0 0 384.501 4.154 40 0 GIABRN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C ZINC000225702467 570606113 /nfs/dbraw/zinc/60/61/13/570606113.db2.gz XHMLMKDJIUZROY-UHFFFAOYSA-N 0 0 376.503 4.007 40 0 GIABRN CCCn1c(CN2CCC[C@H](n3c4ccccc4oc3=O)C2)nc2ccccc21 ZINC000012087604 570606631 /nfs/dbraw/zinc/60/66/31/570606631.db2.gz YHMVDWKNXPPZHS-KRWDZBQOSA-N 0 0 390.487 4.191 40 0 GIABRN COc1cccc(CCC(=O)N2CC[C@H](c3cc(-c4ccc(C)cc4)n[nH]3)C2)c1 ZINC000012088218 570606700 /nfs/dbraw/zinc/60/67/00/570606700.db2.gz IKIXZYAZMXJZMR-FQEVSTJZSA-N 0 0 389.499 4.342 40 0 GIABRN Nc1cc2ccccc2nc1[C@@H]1CCCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC000012088043 570606735 /nfs/dbraw/zinc/60/67/35/570606735.db2.gz CODKNOHMBMEZPH-QGZVFWFLSA-N 0 0 389.474 4.394 40 0 GIABRN COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 ZINC000225711157 570607162 /nfs/dbraw/zinc/60/71/62/570607162.db2.gz NFBVNXWQBZTXDQ-HZPDHXFCSA-N 0 0 383.488 4.227 40 0 GIABRN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 ZINC000225711221 570607172 /nfs/dbraw/zinc/60/71/72/570607172.db2.gz NFBVNXWQBZTXDQ-HOTGVXAUSA-N 0 0 383.488 4.227 40 0 GIABRN CC[C@H](NC(=S)Nc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000225722387 570608659 /nfs/dbraw/zinc/60/86/59/570608659.db2.gz XODMDWTUNBSZGP-HNNXBMFYSA-N 0 0 382.938 4.181 40 0 GIABRN CCc1ccc(NC(=S)N[C@@H](CC)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000225723131 570608782 /nfs/dbraw/zinc/60/87/82/570608782.db2.gz JEUDGDDUPMQBDW-SFHVURJKSA-N 0 0 376.547 4.090 40 0 GIABRN COc1ccc(-c2nnsc2C(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000225761498 570614242 /nfs/dbraw/zinc/61/42/42/570614242.db2.gz XXGRDLUXNCGYJG-UHFFFAOYSA-N 0 0 394.283 4.451 40 0 GIABRN Cc1nc2ccccc2n1CCC(=O)N1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000012143604 570615500 /nfs/dbraw/zinc/61/55/00/570615500.db2.gz VMAUWDCIMOGKLJ-NRFANRHFSA-N 0 0 387.487 4.283 40 0 GIABRN Cc1sc2[nH]c([C@H]3CCCN(C(=O)c4ccccc4F)C3)nc(=O)c2c1C ZINC000012144832 570615806 /nfs/dbraw/zinc/61/58/06/570615806.db2.gz DAZOTZLKHSRFBK-ZDUSSCGKSA-N 0 0 385.464 4.173 40 0 GIABRN CCOc1cc2c(cc1OCC)[C@@H](C)N(C(=O)c1ccc3[nH]c(C)nc3c1)CC2 ZINC000012147464 570617295 /nfs/dbraw/zinc/61/72/95/570617295.db2.gz QUBKOFHUGWXGOO-CQSZACIVSA-N 0 0 393.487 4.428 40 0 GIABRN Cc1onc(-c2ccncc2)c1C(=O)N[C@H](c1ccncc1)c1ccccc1C ZINC000012148497 570617792 /nfs/dbraw/zinc/61/77/92/570617792.db2.gz XZNINIRKYMEGQV-OAQYLSRUSA-N 0 0 384.439 4.268 40 0 GIABRN CCOc1cc(CCC(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccc(OC)cc2)on1 ZINC000012162445 570619113 /nfs/dbraw/zinc/61/91/13/570619113.db2.gz CVEIZZRFKMCLQU-VKGYTVAMSA-N 0 0 398.503 4.103 40 0 GIABRN CC(C)C(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 ZINC000012181834 570619482 /nfs/dbraw/zinc/61/94/82/570619482.db2.gz AXIXNTOMKFUUDV-QLFBSQMISA-N 0 0 382.499 4.066 40 0 GIABRN CCCCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)OC(C)C ZINC000004161354 570619698 /nfs/dbraw/zinc/61/96/98/570619698.db2.gz LIAARBDNLWWZPA-UHFFFAOYSA-N 0 0 376.526 4.042 40 0 GIABRN O=C(CCC1CCCC1)N1CCC[C@H]1Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000012182332 570619973 /nfs/dbraw/zinc/61/99/73/570619973.db2.gz MRUZDCCLOTYTHG-FQEVSTJZSA-N 0 0 397.494 4.011 40 0 GIABRN COc1ccccc1CCC(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1 ZINC000012183176 570620018 /nfs/dbraw/zinc/62/00/18/570620018.db2.gz MHHQXSFRDJQCPA-HXUWFJFHSA-N 0 0 393.462 4.146 40 0 GIABRN CCCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccco1 ZINC000004161489 570620153 /nfs/dbraw/zinc/62/01/53/570620153.db2.gz XSDZZXWYPIPPEK-UHFFFAOYSA-N 0 0 398.488 4.272 40 0 GIABRN CCCCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccncc1 ZINC000004161389 570620209 /nfs/dbraw/zinc/62/02/09/570620209.db2.gz AXUWWEZTCSUFEL-UHFFFAOYSA-N 0 0 395.532 4.488 40 0 GIABRN CO[C@H](C(=O)N1CCC(C(=O)c2nc3ccccc3s2)CC1)c1ccccc1 ZINC000012184121 570620308 /nfs/dbraw/zinc/62/03/08/570620308.db2.gz XGEHNQOBLDLHML-FQEVSTJZSA-N 0 0 394.496 4.105 40 0 GIABRN CCCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1C(=O)OC ZINC000225810588 570620332 /nfs/dbraw/zinc/62/03/32/570620332.db2.gz NQROJEYTADKSLG-UHFFFAOYSA-N 0 0 377.481 4.186 40 0 GIABRN COc1cc(CNC(=O)COc2cccc(C(F)(F)F)c2)ccc1OC(C)C ZINC000225813113 570620581 /nfs/dbraw/zinc/62/05/81/570620581.db2.gz SQUZAMONKOQJGH-UHFFFAOYSA-N 0 0 397.393 4.196 40 0 GIABRN CC[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(OC)c(OC)c1 ZINC000225814327 570620731 /nfs/dbraw/zinc/62/07/31/570620731.db2.gz AKZKUANUOSBRAZ-INIZCTEOSA-N 0 0 397.393 4.369 40 0 GIABRN COc1ccc2cc(S(=O)(=O)N[C@H]3CCCc4cc(OC)ccc43)ccc2c1 ZINC000225814083 570620749 /nfs/dbraw/zinc/62/07/49/570620749.db2.gz CGGKDCXPUFZDJI-QFIPXVFZSA-N 0 0 397.496 4.213 40 0 GIABRN O=C(NC1CCCC1)[C@H](c1ccccc1)N(Cc1ccco1)C(=O)c1ccco1 ZINC000004240758 570622773 /nfs/dbraw/zinc/62/27/73/570622773.db2.gz WELUGPFZBLZTGD-NRFANRHFSA-N 0 0 392.455 4.315 40 0 GIABRN Cc1ccccc1-c1noc(CNC(=S)Nc2cccc(OC(C)C)c2)n1 ZINC000225829287 570622895 /nfs/dbraw/zinc/62/28/95/570622895.db2.gz HGWZEYBEGRGVTD-UHFFFAOYSA-N 0 0 382.489 4.319 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)ccc1OCC ZINC000225831738 570623509 /nfs/dbraw/zinc/62/35/09/570623509.db2.gz OURVWLJIQVOXNN-QVKFZJNVSA-N 0 0 377.481 4.186 40 0 GIABRN COc1cccc(NC(=S)NC2(c3ccc(OC)c(OC)c3)CCCC2)c1 ZINC000225846725 570625711 /nfs/dbraw/zinc/62/57/11/570625711.db2.gz DZKUOYISUNUHFU-UHFFFAOYSA-N 0 0 386.517 4.468 40 0 GIABRN CCC[C@@H](NC(=O)c1c(C)oc2ccc(O)cc21)c1ccc2c(c1)OCCO2 ZINC000012205369 570626075 /nfs/dbraw/zinc/62/60/75/570626075.db2.gz VXHAENBDACBYFC-QGZVFWFLSA-N 0 0 381.428 4.489 40 0 GIABRN COc1ccc(C2(NC(=S)Nc3ccc(OC)c(OC)c3)CCCC2)cc1 ZINC000225849930 570626087 /nfs/dbraw/zinc/62/60/87/570626087.db2.gz KEYCQUDGYZLYEB-UHFFFAOYSA-N 0 0 386.517 4.468 40 0 GIABRN CCCO[C@]1(C(=O)Nc2ccc(OCC)c(C(=O)OC)c2)CCC[C@H](C)C1 ZINC000225853360 570626506 /nfs/dbraw/zinc/62/65/06/570626506.db2.gz MDQSKKBKEZNXDQ-YCRPNKLZSA-N 0 0 377.481 4.186 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)NC2(c3ccncc3)CCCC2)c1 ZINC000225861948 570627819 /nfs/dbraw/zinc/62/78/19/570627819.db2.gz PYLALLVVFIONFX-UHFFFAOYSA-N 0 0 389.908 4.278 40 0 GIABRN CCc1ccc(CC)c(CNC(=O)c2ccccc2I)c1 ZINC000225860585 570627827 /nfs/dbraw/zinc/62/78/27/570627827.db2.gz FYBWLTDUIBYTMZ-UHFFFAOYSA-N 0 0 393.268 4.346 40 0 GIABRN C[C@H]1C[C@@H]1C(=O)NCc1ccc(-c2nc(C3CC3)ncc2-c2ccccn2)cc1 ZINC000012221988 570627908 /nfs/dbraw/zinc/62/79/08/570627908.db2.gz ILYIFSYCOMJADB-KXBFYZLASA-N 0 0 384.483 4.355 40 0 GIABRN CCOC(=O)C1CCN(c2ncc(-c3ccccn3)c(-c3cccs3)n2)CC1 ZINC000012222157 570628071 /nfs/dbraw/zinc/62/80/71/570628071.db2.gz XIVBIRGUXPTIOY-UHFFFAOYSA-N 0 0 394.500 4.047 40 0 GIABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3Cc3ccccn3)cc2n1 ZINC000012223008 570628409 /nfs/dbraw/zinc/62/84/09/570628409.db2.gz NXGHSCPKGKENRO-MRXNPFEDSA-N 0 0 375.398 4.179 40 0 GIABRN CC(C)CNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCCC2)n1 ZINC000225891398 570631325 /nfs/dbraw/zinc/63/13/25/570631325.db2.gz BTNSJWMEROTTGX-UHFFFAOYSA-N 0 0 385.537 4.202 40 0 GIABRN CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCOC)nc1C ZINC000225895986 570631724 /nfs/dbraw/zinc/63/17/24/570631724.db2.gz AIKOVBGFTCFKKH-UHFFFAOYSA-N 0 0 380.529 4.221 40 0 GIABRN CCc1cccc2cc3c(nc21)OC(=O)N(CCc1ccc2c(c1)OCO2)C3 ZINC000012276681 570632427 /nfs/dbraw/zinc/63/24/27/570632427.db2.gz GAWWUDIFBONIPT-UHFFFAOYSA-N 0 0 376.412 4.083 40 0 GIABRN COc1ccc(CNC(=S)Nc2ccc(C)c(Cl)c2)c(OC)c1OC ZINC000044252138 570632549 /nfs/dbraw/zinc/63/25/49/570632549.db2.gz WHBSZYMJFYATPD-UHFFFAOYSA-N 0 0 380.897 4.161 40 0 GIABRN Cc1cc(N2CCCC2)nc(NC(=S)NCc2ccc(-c3ccccc3)o2)n1 ZINC000225919093 570633550 /nfs/dbraw/zinc/63/35/50/570633550.db2.gz MLKFCLUKJUMIIL-UHFFFAOYSA-N 0 0 393.516 4.132 40 0 GIABRN CCc1nc2sc3c(c2c(NCCNC(=O)c2ccccc2C)n1)CCCC3 ZINC000004848588 570634938 /nfs/dbraw/zinc/63/49/38/570634938.db2.gz LWPVNUCOETZIKY-UHFFFAOYSA-N 0 0 394.544 4.283 40 0 GIABRN CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1OC ZINC000044849335 570635712 /nfs/dbraw/zinc/63/57/12/570635712.db2.gz ZTTXCEGYAQEFMA-OAHLLOKOSA-N 0 0 391.895 4.264 40 0 GIABRN CCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1F)OCO3 ZINC000004849548 570635911 /nfs/dbraw/zinc/63/59/11/570635911.db2.gz WBZLHPJLRSQOTR-UHFFFAOYSA-N 0 0 384.432 4.396 40 0 GIABRN COc1cc(Oc2ccccc2)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 ZINC000225957392 570636370 /nfs/dbraw/zinc/63/63/70/570636370.db2.gz VGADXPYTIGDXPX-AWEZNQCLSA-N 0 0 380.473 4.325 40 0 GIABRN C[C@@H](NC(=S)Nc1nc(Cl)cc(N2CCC[C@@H](C)C2)n1)c1ccccc1 ZINC000225963946 570636895 /nfs/dbraw/zinc/63/68/95/570636895.db2.gz OSTXFTOOCYRENS-ZIAGYGMSSA-N 0 0 389.956 4.414 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc1 ZINC000044883801 570638536 /nfs/dbraw/zinc/63/85/36/570638536.db2.gz AZTYMOXGSZPBEC-UHFFFAOYSA-N 0 0 392.908 4.075 40 0 GIABRN Cc1cc(C)cc(NC(=S)N2CCC(NC(=O)c3ccccc3C)CC2)c1 ZINC000004857741 570638745 /nfs/dbraw/zinc/63/87/45/570638745.db2.gz TWZRRCUEHYUYBJ-UHFFFAOYSA-N 0 0 381.545 4.203 40 0 GIABRN Cc1ccc(C(=O)NC2CCN(C(=S)Nc3cc(C)ccc3C)CC2)cc1 ZINC000004857523 570638881 /nfs/dbraw/zinc/63/88/81/570638881.db2.gz ROYRQNFATDYJBX-UHFFFAOYSA-N 0 0 381.545 4.203 40 0 GIABRN CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000044900349 570639960 /nfs/dbraw/zinc/63/99/60/570639960.db2.gz JVMHQLVKHULZLM-MRXNPFEDSA-N 0 0 392.455 4.178 40 0 GIABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000044899789 570640024 /nfs/dbraw/zinc/64/00/24/570640024.db2.gz ATDCVCRHGSJFSB-GOSISDBHSA-N 0 0 386.923 4.381 40 0 GIABRN COc1ccc(C(=O)CSc2nnc(-c3ccoc3C)n2CC(C)C)cc1 ZINC000004860871 570640552 /nfs/dbraw/zinc/64/05/52/570640552.db2.gz LGJOVXWXDTUGLG-UHFFFAOYSA-N 0 0 385.489 4.486 40 0 GIABRN Cc1occc1-c1nnc(SCC(=O)Nc2cccc(F)c2)n1CC(C)C ZINC000004860629 570640624 /nfs/dbraw/zinc/64/06/24/570640624.db2.gz KIQBNBXOPJDQDK-UHFFFAOYSA-N 0 0 388.468 4.372 40 0 GIABRN CCCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccccn1 ZINC000004861011 570640940 /nfs/dbraw/zinc/64/09/40/570640940.db2.gz LYIGQVGUUODOQM-UHFFFAOYSA-N 0 0 381.505 4.098 40 0 GIABRN Cc1cc(S(=O)(=O)Nc2ccc3ccccc3c2)ccc1N1CCCC1=O ZINC000044903667 570641372 /nfs/dbraw/zinc/64/13/72/570641372.db2.gz KAXXZDLVDRPMQC-UHFFFAOYSA-N 0 0 380.469 4.076 40 0 GIABRN COCCN(Cc1cc2ccc(OC)cc2nc1Cl)C(=O)c1cccs1 ZINC000004880990 570642081 /nfs/dbraw/zinc/64/20/81/570642081.db2.gz KNXHXYVKNRVHOM-UHFFFAOYSA-N 0 0 390.892 4.247 40 0 GIABRN COCCOc1c(Cl)cccc1NCc1cc(-c2ccccc2)c[nH]c1=O ZINC000012327300 570643781 /nfs/dbraw/zinc/64/37/81/570643781.db2.gz HMWUVQRQVGULFJ-UHFFFAOYSA-N 0 0 384.863 4.333 40 0 GIABRN Cc1ccccc1NC(=O)CSc1nnc(COc2cccc(C)c2C)o1 ZINC000059176061 570651145 /nfs/dbraw/zinc/65/11/45/570651145.db2.gz XGRWISXDRXPQSS-UHFFFAOYSA-N 0 0 383.473 4.305 40 0 GIABRN C[C@H](CCc1ccco1)NC(=O)NC1CCN(c2nc3ccccc3s2)CC1 ZINC000005016398 570657372 /nfs/dbraw/zinc/65/73/72/570657372.db2.gz ARJOMRDOEUZVEB-OAHLLOKOSA-N 0 0 398.532 4.179 40 0 GIABRN COc1c(Br)cc(Br)cc1C(=O)NC1CCCCC1 ZINC000059843519 570659944 /nfs/dbraw/zinc/65/99/44/570659944.db2.gz VZDLIXXAHACZIB-UHFFFAOYSA-N 0 0 391.103 4.283 40 0 GIABRN COc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(-c2cccc(C)c2)n1 ZINC000005520062 570663688 /nfs/dbraw/zinc/66/36/88/570663688.db2.gz AHFDZXHWTFFKIH-UHFFFAOYSA-N 0 0 388.880 4.173 40 0 GIABRN CC(=O)O[C@]1(C(C)=O)C[C@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12 ZINC000005712918 570664563 /nfs/dbraw/zinc/66/45/63/570664563.db2.gz ADKUELIPIQGUGR-ZNZIZOMTSA-N 0 0 398.458 4.499 40 0 GIABRN CCCCC(=O)N(Cc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000005977965 570665966 /nfs/dbraw/zinc/66/59/66/570665966.db2.gz BIWLAMRWRKPSER-UHFFFAOYSA-N 0 0 383.879 4.296 40 0 GIABRN Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccc(O)cc1)S[C@H](C)C(=O)N2 ZINC000006679196 570673633 /nfs/dbraw/zinc/67/36/33/570673633.db2.gz FGLBQFVSYJRSIR-KZULUSFZSA-N 0 0 383.448 4.189 40 0 GIABRN Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)cs2)c1 ZINC000006680776 570674931 /nfs/dbraw/zinc/67/49/31/570674931.db2.gz GYMAPSNQSXWCSW-UHFFFAOYSA-N 0 0 392.546 4.182 40 0 GIABRN C[C@H]1[C@H](NC(=O)COC(=O)CSc2ccc3ccccc3c2)CCC[C@@H]1C ZINC000006824498 570675322 /nfs/dbraw/zinc/67/53/22/570675322.db2.gz FJCSVQZUHSWFGM-RZQQEMMASA-N 0 0 385.529 4.416 40 0 GIABRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4C)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013770405 570677168 /nfs/dbraw/zinc/67/71/68/570677168.db2.gz NTWYOLBMNRGCRN-VJBWXMMDSA-N 0 0 398.462 4.355 40 0 GIABRN Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)cc1Cl ZINC000054363108 570677691 /nfs/dbraw/zinc/67/76/91/570677691.db2.gz JFDBWCUIGCVGSW-NOZJJQNGSA-N 0 0 380.735 4.268 40 0 GIABRN Cc1cc(C)c(CSC2=N[C@@H](c3ccccc3)C(C(N)=O)=C(C)N2)c(C)c1 ZINC000408991226 570690170 /nfs/dbraw/zinc/69/01/70/570690170.db2.gz PWGCPLLJYNGBTN-FQEVSTJZSA-N 0 0 379.529 4.305 40 0 GIABRN Cc1nc(C2CCN(C(=O)c3cccs3)CC2)sc1-c1ccnc(C)n1 ZINC000012667962 570696870 /nfs/dbraw/zinc/69/68/70/570696870.db2.gz YUKFHMUEVMVJOH-UHFFFAOYSA-N 0 0 384.530 4.298 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cc1 ZINC000055601688 570697673 /nfs/dbraw/zinc/69/76/73/570697673.db2.gz FKPCNGXONDMJLI-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(Cl)cc1O ZINC000260759352 570702992 /nfs/dbraw/zinc/70/29/92/570702992.db2.gz GFEYHABLQHPKEU-GPNNCHTKSA-N 0 0 375.881 4.039 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3c(C)c(C)n(CCOC)c3C)N21 ZINC000260769121 570703322 /nfs/dbraw/zinc/70/33/22/570703322.db2.gz KGEJMYFIXYTJBE-UIFIKXQLSA-N 0 0 398.576 4.434 40 0 GIABRN COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc(Cl)c1O ZINC000260762923 570703885 /nfs/dbraw/zinc/70/38/85/570703885.db2.gz HVFUZUNPSXRJAS-UHNFBRDESA-N 0 0 375.881 4.039 40 0 GIABRN COc1ccc(-n2ccc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@H](C)CN43)c2)cc1 ZINC000260786520 570705566 /nfs/dbraw/zinc/70/55/66/570705566.db2.gz XXXCVYINRMRJNP-IPHXSNPTSA-N 0 0 390.512 4.470 40 0 GIABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1C(C)C ZINC000260918017 570714639 /nfs/dbraw/zinc/71/46/39/570714639.db2.gz KRIVJEHMIOMHNS-DUXKGJEZSA-N 0 0 398.576 4.232 40 0 GIABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)c(C)c1 ZINC000002454326 570720204 /nfs/dbraw/zinc/72/02/04/570720204.db2.gz BJAHDQVQFAOVDF-UHFFFAOYSA-N 0 0 386.908 4.483 40 0 GIABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(I)cc2)c1 ZINC000003524144 570725049 /nfs/dbraw/zinc/72/50/49/570725049.db2.gz JYBSHMGDOPBTDO-GFCCVEGCSA-N 0 0 381.213 4.006 40 0 GIABRN CC(C)(C)NC(=O)[C@H]1[C@@H]2C[C@@]3(Oc4ccccc42)N1c1ccccc1C3(C)C ZINC000004733419 570729197 /nfs/dbraw/zinc/72/91/97/570729197.db2.gz LFAGUTNTSYRCDI-MYRUOYEDSA-N 0 0 376.500 4.344 40 0 GIABRN Cc1cc(C)cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 ZINC000005204091 570731872 /nfs/dbraw/zinc/73/18/72/570731872.db2.gz FWCAXNHXWCXORR-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN CCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000005464145 570732934 /nfs/dbraw/zinc/73/29/34/570732934.db2.gz NJRNMCFFKXXAKW-INIZCTEOSA-N 0 0 384.451 4.386 40 0 GIABRN COc1ccc(C2=N/C(=C/c3ccccc3OC(=O)c3ccccc3)C(=O)O2)cc1 ZINC000005558673 570733896 /nfs/dbraw/zinc/73/38/96/570733896.db2.gz LTNQJURDEFIQIY-HMMYKYKNSA-N 0 0 399.402 4.259 40 0 GIABRN COc1ccc(Cc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)o2)cc1 ZINC000005788765 570735868 /nfs/dbraw/zinc/73/58/68/570735868.db2.gz YNJHNQTUEBDWCP-UHFFFAOYSA-N 0 0 383.473 4.017 40 0 GIABRN COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 ZINC000059351925 570737748 /nfs/dbraw/zinc/73/77/48/570737748.db2.gz OVDWQTLNIRPHOI-QWHCGFSZSA-N 0 0 378.266 4.102 40 0 GIABRN COc1ccc(-c2cnn3c(nnc3-c3cccc(OC4CCCC4)c3)n2)cc1 ZINC000588229110 570746256 /nfs/dbraw/zinc/74/62/56/570746256.db2.gz FHZGRPLGTABTRO-UHFFFAOYSA-N 0 0 387.443 4.183 40 0 GIABRN CCCCc1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000006652960 570748931 /nfs/dbraw/zinc/74/89/31/570748931.db2.gz LTNWYXGNJDIAFU-UHFFFAOYSA-N 0 0 394.924 4.087 40 0 GIABRN NC(=O)c1c2c(sc1NC(=O)COc1ccc(C3CCCCC3)cc1)CCC2 ZINC000006883116 570752667 /nfs/dbraw/zinc/75/26/67/570752667.db2.gz IULHLBKWURDJIF-UHFFFAOYSA-N 0 0 398.528 4.401 40 0 GIABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000007072882 570756366 /nfs/dbraw/zinc/75/63/66/570756366.db2.gz FWEFNUCTUQYSBZ-CYBMUJFWSA-N 0 0 386.517 4.257 40 0 GIABRN Cc1ccc(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1 ZINC000007388361 570758800 /nfs/dbraw/zinc/75/88/00/570758800.db2.gz HGBRPFYJBCGAGY-UHFFFAOYSA-N 0 0 386.776 4.167 40 0 GIABRN CCCc1n[nH]c(=S)n1NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000007601280 570760971 /nfs/dbraw/zinc/76/09/71/570760971.db2.gz VSSNRBWYOKJSQH-UHFFFAOYSA-N 0 0 384.505 4.224 40 0 GIABRN O=C(/C=C/c1ccccc1)OCC(=O)Nc1ccc(Br)cc1Cl ZINC000007939907 570763296 /nfs/dbraw/zinc/76/32/96/570763296.db2.gz OUSHNIVYZKAJAX-RMKNXTFCSA-N 0 0 394.652 4.298 40 0 GIABRN Cc1noc(C)c1-c1ccc([C@@H]2CCCN(C(=O)Cc3ccccc3F)C2)nc1 ZINC000257225959 570763702 /nfs/dbraw/zinc/76/37/02/570763702.db2.gz FIPCFAYCDJKRTQ-LJQANCHMSA-N 0 0 393.462 4.441 40 0 GIABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008072132 570764469 /nfs/dbraw/zinc/76/44/69/570764469.db2.gz KGYLAADPWWJHEL-UHFFFAOYSA-N 0 0 392.249 4.016 40 0 GIABRN Cc1noc(C)c1-c1cccc([C@H]2CN(Cc3ccc4cc[nH]c4c3)CCO2)n1 ZINC000257233031 570766196 /nfs/dbraw/zinc/76/61/96/570766196.db2.gz GNLHFIPVOBASHE-JOCHJYFZSA-N 0 0 388.471 4.408 40 0 GIABRN FC(F)(F)c1ccccc1Cc1cccc([C@@H]2CN(CC3CC3)CCO2)n1 ZINC000257235031 570766668 /nfs/dbraw/zinc/76/66/68/570766668.db2.gz GWDKMKLHMZYKIQ-FQEVSTJZSA-N 0 0 376.422 4.475 40 0 GIABRN CCc1[nH]nc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)c1C ZINC000257235912 570767011 /nfs/dbraw/zinc/76/70/11/570767011.db2.gz HABNUSIMPAWXBL-IBGZPJMESA-N 0 0 396.466 4.366 40 0 GIABRN Cc1cc(C)cc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1 ZINC000008499053 570769577 /nfs/dbraw/zinc/76/95/77/570769577.db2.gz WHBBESGQUFKCJQ-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(I)cc2)cc1C ZINC000008497663 570769635 /nfs/dbraw/zinc/76/96/35/570769635.db2.gz AICCOFHHLTYMEZ-ZDUSSCGKSA-N 0 0 395.240 4.314 40 0 GIABRN COc1cccc(OC)c1C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000008434702 570769841 /nfs/dbraw/zinc/76/98/41/570769841.db2.gz GGQVGAAINYEDSA-UHFFFAOYSA-N 0 0 376.412 4.208 40 0 GIABRN C[C@@H](O)c1ccc(-c2ccc(CNn3c(-c4ccncc4)n[nH]c3=S)o2)cc1 ZINC000008535231 570770084 /nfs/dbraw/zinc/77/00/84/570770084.db2.gz ZQQALTPOOSZINZ-CYBMUJFWSA-N 0 0 393.472 4.060 40 0 GIABRN CC1(C)C[C@H](NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2O1 ZINC000013674060 570771206 /nfs/dbraw/zinc/77/12/06/570771206.db2.gz GIFOWCITDDPGLR-HNNXBMFYSA-N 0 0 396.306 4.030 40 0 GIABRN CCCCc1nnc(SCCCOc2ccc(C=O)cc2OC)n1CC ZINC000008731778 570772118 /nfs/dbraw/zinc/77/21/18/570772118.db2.gz MKAJRRSXGJGQQV-UHFFFAOYSA-N 0 0 377.510 4.023 40 0 GIABRN Cc1ccccc1OCC(=O)Nc1nc2ccc(C(=O)OC(C)C)cc2s1 ZINC000008903730 570773521 /nfs/dbraw/zinc/77/35/21/570773521.db2.gz SUGUYFQIFOEJMY-UHFFFAOYSA-N 0 0 384.457 4.187 40 0 GIABRN CC[C@@H](C(=O)Nc1ccc2ccccc2c1)N(c1ccccc1)S(C)(=O)=O ZINC000013711058 570777577 /nfs/dbraw/zinc/77/75/77/570777577.db2.gz DHWQGZGHMJXBIJ-FQEVSTJZSA-N 0 0 382.485 4.023 40 0 GIABRN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1c(Cl)cccc1Cl ZINC000013717406 570779259 /nfs/dbraw/zinc/77/92/59/570779259.db2.gz PAASBVBJXWROPO-UHFFFAOYSA-N 0 0 377.227 4.008 40 0 GIABRN Cc1ccc(C(=O)Nc2ccccc2F)cc1NS(=O)(=O)c1ccccc1 ZINC000010314376 570787231 /nfs/dbraw/zinc/78/72/31/570787231.db2.gz UKVIYRYDMJYTDK-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN Cc1ccc(C(=O)NC2CCCCCC2)cc1NS(=O)(=O)c1ccccc1 ZINC000010314197 570787287 /nfs/dbraw/zinc/78/72/87/570787287.db2.gz VIAQOJBYSHQPOV-UHFFFAOYSA-N 0 0 386.517 4.248 40 0 GIABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000010338505 570788802 /nfs/dbraw/zinc/78/88/02/570788802.db2.gz CWCGXIDIIPGSCX-UHFFFAOYSA-N 0 0 398.459 4.044 40 0 GIABRN Cc1cccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1C ZINC000010338686 570788808 /nfs/dbraw/zinc/78/88/08/570788808.db2.gz WTFNCTZPUJJLHZ-OAHLLOKOSA-N 0 0 394.924 4.058 40 0 GIABRN COc1ccc(-c2cc(=O)[nH]c(Nc3nc(C)c4cc(C)cc(C)c4n3)n2)cc1 ZINC000010325298 570789198 /nfs/dbraw/zinc/78/91/98/570789198.db2.gz MPMRVMBKXIQROE-UHFFFAOYSA-N 0 0 387.443 4.058 40 0 GIABRN COc1ccc([C@@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccc(F)cc2)cc1 ZINC000011116997 570794328 /nfs/dbraw/zinc/79/43/28/570794328.db2.gz ONIOOIFYQOKSMF-PMACEKPBSA-N 0 0 397.475 4.342 40 0 GIABRN COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccccc2F)cc1 ZINC000011116507 570794500 /nfs/dbraw/zinc/79/45/00/570794500.db2.gz RHLPGRBMYLZJCC-WOJBJXKFSA-N 0 0 397.475 4.342 40 0 GIABRN O=C(CSc1nnc(Cc2ccccc2)o1)Nc1nc2ccccc2s1 ZINC000012249277 570804239 /nfs/dbraw/zinc/80/42/39/570804239.db2.gz RVEHUGZNVHLYSO-UHFFFAOYSA-N 0 0 382.470 4.001 40 0 GIABRN C[C@H]1[C@H](NC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)CCC[C@@H]1C ZINC000012928315 570817515 /nfs/dbraw/zinc/81/75/15/570817515.db2.gz DOQFKGRGAUALFQ-RZQQEMMASA-N 0 0 392.499 4.157 40 0 GIABRN COc1ccccc1C(=O)N1[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)C[C@@H]2CCCC[C@@H]21 ZINC000058788503 570819728 /nfs/dbraw/zinc/81/97/28/570819728.db2.gz PFEAOGPSDOLYCY-RKNHFHLDSA-N 0 0 398.547 4.163 40 0 GIABRN O=c1[nH]c2c(s1)[C@@H]1c3ccccc3OC(=O)[C@@H]1[C@H](c1ccc(F)cc1)S2 ZINC000013647863 570861288 /nfs/dbraw/zinc/86/12/88/570861288.db2.gz KLWJRRIGFKCMML-ILXRZTDVSA-N 0 0 385.441 4.090 40 0 GIABRN Cc1cc(OC(=O)c2ccc(Br)cc2)n(-c2nc3ccccc3[nH]2)n1 ZINC000013639544 570862732 /nfs/dbraw/zinc/86/27/32/570862732.db2.gz GXLQPOXYBLCZBC-UHFFFAOYSA-N 0 0 397.232 4.039 40 0 GIABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 ZINC000013992693 570868704 /nfs/dbraw/zinc/86/87/04/570868704.db2.gz KQVDLTSMKZJHFQ-GOSISDBHSA-N 0 0 388.467 4.331 40 0 GIABRN COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000014006585 570875083 /nfs/dbraw/zinc/87/50/83/570875083.db2.gz DJZUTEJPTRVOGS-QGZVFWFLSA-N 0 0 396.487 4.117 40 0 GIABRN Cc1ccccc1-c1nnc(SCC(=O)Nc2nc3ccccc3s2)n1C ZINC000014081742 570875617 /nfs/dbraw/zinc/87/56/17/570875617.db2.gz TZGZYWZJNHXIBO-UHFFFAOYSA-N 0 0 395.513 4.131 40 0 GIABRN CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2)n1CC ZINC000014085450 570875670 /nfs/dbraw/zinc/87/56/70/570875670.db2.gz SRINXSAWAQMYMF-UHFFFAOYSA-N 0 0 396.516 4.403 40 0 GIABRN Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)c4cnccn4)C3)c2)c1 ZINC000072353834 570881411 /nfs/dbraw/zinc/88/14/11/570881411.db2.gz ZPVLDWOLJXCWFE-OAQYLSRUSA-N 0 0 386.499 4.099 40 0 GIABRN O=C(Cc1ccncc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072357923 570881502 /nfs/dbraw/zinc/88/15/02/570881502.db2.gz KYALPOKNVIAVQP-JOCHJYFZSA-N 0 0 375.447 4.113 40 0 GIABRN O=C(CCCOc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCC1 ZINC000014396550 570882422 /nfs/dbraw/zinc/88/24/22/570882422.db2.gz NVGQKXMJJYDHOJ-UHFFFAOYSA-N 0 0 386.879 4.374 40 0 GIABRN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000014397526 570883163 /nfs/dbraw/zinc/88/31/63/570883163.db2.gz ZOYYUFFMIDABJY-HNNXBMFYSA-N 0 0 384.451 4.294 40 0 GIABRN Cc1ccc(C)c(N(CCCC(=O)Nc2ccccc2Cl)S(C)(=O)=O)c1 ZINC000014401583 570890812 /nfs/dbraw/zinc/89/08/12/570890812.db2.gz DUOKKPAKCVEORN-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)C[C@H]3C=CCC3)CC2)on1 ZINC000257226811 570891123 /nfs/dbraw/zinc/89/11/23/570891123.db2.gz FMGZPMCFCCNLRX-FHWLQOOXSA-N 0 0 394.519 4.495 40 0 GIABRN CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)C(F)(F)F)c1C ZINC000014405656 570891152 /nfs/dbraw/zinc/89/11/52/570891152.db2.gz YVJZIADYBGVOIK-UHFFFAOYSA-N 0 0 382.386 4.053 40 0 GIABRN COc1ccc(-c2noc(CCC(=O)Nc3cccc(SC)c3)n2)cc1OC ZINC000015577573 570897646 /nfs/dbraw/zinc/89/76/46/570897646.db2.gz CZHVWMLKRYOERI-UHFFFAOYSA-N 0 0 399.472 4.047 40 0 GIABRN Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3CC=CCC3)CC2)on1 ZINC000257276598 570900105 /nfs/dbraw/zinc/90/01/05/570900105.db2.gz NUKTZUAMEBTGKI-BZSNNMDCSA-N 0 0 382.508 4.130 40 0 GIABRN CCn1ccc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccc(C)s4)o3)CC2)n1 ZINC000257279805 570901991 /nfs/dbraw/zinc/90/19/91/570901991.db2.gz OIGAXGUETMOUNH-SHTZXODSSA-N 0 0 399.520 4.027 40 0 GIABRN O=C(NC[C@H]1CC[C@H](c2ncncc2-c2ccncc2)CC1)[C@@H]1CC=CCC1 ZINC000257294329 570903648 /nfs/dbraw/zinc/90/36/48/570903648.db2.gz QTQJGVISNMRANV-MISYRCLQSA-N 0 0 376.504 4.285 40 0 GIABRN CCOc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000028184147 570907679 /nfs/dbraw/zinc/90/76/79/570907679.db2.gz BJVSMZGVAZIUCW-UHFFFAOYSA-N 0 0 392.908 4.358 40 0 GIABRN O=C(NCCc1cccc(F)c1)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000015936138 570909358 /nfs/dbraw/zinc/90/93/58/570909358.db2.gz UQJAHDDHDJWEFT-MRXNPFEDSA-N 0 0 383.492 4.011 40 0 GIABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Br)cc2F)c1 ZINC000017077900 570917247 /nfs/dbraw/zinc/91/72/47/570917247.db2.gz YCIHJVYMIMUKCA-UHFFFAOYSA-N 0 0 381.270 4.332 40 0 GIABRN CCSc1nc2n(n1)[C@@H](c1ccco1)CC(c1ccc(OC)c(OC)c1)=N2 ZINC000017078483 570917558 /nfs/dbraw/zinc/91/75/58/570917558.db2.gz SJELSFXWBSRNJM-CQSZACIVSA-N 0 0 384.461 4.056 40 0 GIABRN COc1cc(NC(=S)NCCSc2ccc(C)cc2)cc(OC)c1OC ZINC000017080262 570918375 /nfs/dbraw/zinc/91/83/75/570918375.db2.gz ABOBVRPHRSCCSS-UHFFFAOYSA-N 0 0 392.546 4.100 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCC3)ccc2C)c1 ZINC000017357270 570919892 /nfs/dbraw/zinc/91/98/92/570919892.db2.gz IOWMAFHUMNHYMK-UHFFFAOYSA-N 0 0 386.517 4.167 40 0 GIABRN C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccccc2C(F)(F)F)CC1=O ZINC000096589852 570923310 /nfs/dbraw/zinc/92/33/10/570923310.db2.gz VCSWXMQWOIHKHH-HIFRSBDPSA-N 0 0 376.378 4.254 40 0 GIABRN Cc1ccc(C(=O)N2CCC[C@]3(CCCN3c3ncnc4ccsc43)CC2)o1 ZINC000585100650 570925321 /nfs/dbraw/zinc/92/53/21/570925321.db2.gz RTTXRURCUHUYIO-NRFANRHFSA-N 0 0 396.516 4.258 40 0 GIABRN Cc1cccc(CN2CCC3(CCN(C(=O)c4cc(C)cc(C)c4)CC3)C2=O)c1 ZINC000585099777 570925680 /nfs/dbraw/zinc/92/56/80/570925680.db2.gz YKNHPISOEHKGIU-UHFFFAOYSA-N 0 0 390.527 4.267 40 0 GIABRN CC(C)CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CCCC1)C2 ZINC000585107496 570935440 /nfs/dbraw/zinc/93/54/40/570935440.db2.gz XZUDWJXHJZPPNJ-XMMPIXPASA-N 0 0 392.547 4.356 40 0 GIABRN O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1cccc2ccccc21 ZINC000585111391 570941487 /nfs/dbraw/zinc/94/14/87/570941487.db2.gz RUJQOLXDKXLLOG-HSZRJFAPSA-N 0 0 397.478 4.128 40 0 GIABRN COc1ccccc1CNC(=O)CSCc1cccc(Br)c1 ZINC000020238295 570945069 /nfs/dbraw/zinc/94/50/69/570945069.db2.gz UTSCAGXPYUQSSB-UHFFFAOYSA-N 0 0 380.307 4.007 40 0 GIABRN COCc1ccccc1-c1cnc2n1CCN(C(=O)CC1CCCCC1)CC2 ZINC000585111363 570946004 /nfs/dbraw/zinc/94/60/04/570946004.db2.gz QKDRKUYWVMJBOX-UHFFFAOYSA-N 0 0 381.520 4.052 40 0 GIABRN CCc1ccc(OCC(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1 ZINC000020411835 570946287 /nfs/dbraw/zinc/94/62/87/570946287.db2.gz JTDJGGKNDOFQDA-UHFFFAOYSA-N 0 0 398.484 4.441 40 0 GIABRN CCOC(=O)c1cn(Cc2ccccc2)c2cc(C(F)(F)F)c(F)cc2c1=O ZINC000199737804 570951451 /nfs/dbraw/zinc/95/14/51/570951451.db2.gz QGKOAOONFQZQGW-UHFFFAOYSA-N 0 0 393.336 4.384 40 0 GIABRN CCOC(=O)c1cn(Cc2ccc(F)cc2)c2cc(C(F)(F)F)ccc2c1=O ZINC000199733526 570951536 /nfs/dbraw/zinc/95/15/36/570951536.db2.gz FACAZACVJJFYJM-UHFFFAOYSA-N 0 0 393.336 4.384 40 0 GIABRN CC1=C(C(=O)OCC(C)C)C(c2ccccc2)C(C(=O)OCC(C)C)=C(C)N1 ZINC000020568708 570951624 /nfs/dbraw/zinc/95/16/24/570951624.db2.gz UDXIYAMUMXKQJD-UHFFFAOYSA-N 0 0 385.504 4.320 40 0 GIABRN CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(C(F)(F)F)cc2c1=O ZINC000199733506 570951655 /nfs/dbraw/zinc/95/16/55/570951655.db2.gz MIPDODRAFFXTFR-UHFFFAOYSA-N 0 0 393.336 4.384 40 0 GIABRN CCOC(=O)c1cn(Cc2ccc(F)cc2)c2cc(Cl)c(F)cc2c1=O ZINC000199805559 570951744 /nfs/dbraw/zinc/95/17/44/570951744.db2.gz PVZKYYWBPZRAAM-UHFFFAOYSA-N 0 0 377.774 4.158 40 0 GIABRN O=C([O-])[C@@H](Cc1cccs1)[NH2+]COCC1c2ccccc2-c2ccccc21 ZINC000390823120 570952019 /nfs/dbraw/zinc/95/20/19/570952019.db2.gz SWEJUURMMYYCEP-OAQYLSRUSA-N 0 0 379.481 4.120 40 0 GIABRN OCCn1c(-c2ccccc2)cs/c1=N\c1ccc(Br)cc1 ZINC000004614497 570986567 /nfs/dbraw/zinc/98/65/67/570986567.db2.gz SDMFHJHDMKELPA-ZPHPHTNESA-N 0 0 375.291 4.204 40 0 GIABRN Cc1cc(C)cc(N(CC(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)c1 ZINC000243339702 570986623 /nfs/dbraw/zinc/98/66/23/570986623.db2.gz LSDBSMWWFLMJCX-UHFFFAOYSA-N 0 0 388.533 4.140 40 0 GIABRN Nc1ccccc1-c1nnc(SCC(=O)c2ccc(Br)cc2)o1 ZINC000004619552 570987108 /nfs/dbraw/zinc/98/71/08/570987108.db2.gz ZTZONTVTQWXGKF-UHFFFAOYSA-N 0 0 390.262 4.056 40 0 GIABRN O=C(Nc1c(F)cccc1F)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000244263335 570989321 /nfs/dbraw/zinc/98/93/21/570989321.db2.gz WNVVVSFJVCFWIT-UHFFFAOYSA-N 0 0 378.806 4.109 40 0 GIABRN O=C(Nc1ccc(F)cc1F)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000244472729 570990124 /nfs/dbraw/zinc/99/01/24/570990124.db2.gz ZHKPRQPMNNAAND-UHFFFAOYSA-N 0 0 378.806 4.109 40 0 GIABRN FC(F)(F)c1ccccc1Nc1cc(-c2ccncc2)nc(NC2CCCC2)n1 ZINC000328962982 571047024 /nfs/dbraw/zinc/04/70/24/571047024.db2.gz BLTGKALHTKBQPE-UHFFFAOYSA-N 0 0 399.420 4.499 40 0 GIABRN FC(F)(F)c1c(-c2nnnn2-c2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000002573035 817391920 /nfs/dbraw/zinc/39/19/20/817391920.db2.gz MICWUDLXYXKHJR-UHFFFAOYSA-N 0 0 390.756 4.187 40 0 GIABRN CCOc1ccc(NC(=O)CSc2nnc(C)n2-c2cccc(C)c2)cc1 ZINC000005360298 817577369 /nfs/dbraw/zinc/57/73/69/817577369.db2.gz DPGQWAQNIYLANE-UHFFFAOYSA-N 0 0 382.489 4.014 40 0 GIABRN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/C=C/c1ccccc1 ZINC000005369485 817579197 /nfs/dbraw/zinc/57/91/97/817579197.db2.gz KFKQPKQYDZRJAO-PWMUJQFMSA-N 0 0 397.478 4.363 40 0 GIABRN CCOc1cc(C(=O)Nc2cccc(O)c2)cc(Br)c1OCC ZINC000005980206 817635254 /nfs/dbraw/zinc/63/52/54/817635254.db2.gz UEYGWJJNXXKKNR-UHFFFAOYSA-N 0 0 380.238 4.204 40 0 GIABRN C=CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 ZINC000006295842 817674152 /nfs/dbraw/zinc/67/41/52/817674152.db2.gz NETALKVNPNHHTN-XDHOZWIPSA-N 0 0 376.437 4.360 40 0 GIABRN CC(C)OC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1 ZINC000006327938 817677606 /nfs/dbraw/zinc/67/76/06/817677606.db2.gz AVVDOAFSNHAWMY-WJDWOHSUSA-N 0 0 398.846 4.216 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C ZINC000006362202 817682674 /nfs/dbraw/zinc/68/26/74/817682674.db2.gz RAARKDMAEMUAIJ-UHFFFAOYSA-N 0 0 383.469 4.383 40 0 GIABRN CCOc1cc([C@@H]2NN=C(c3ccccc3)S2)cc(Br)c1O ZINC000006464408 817695298 /nfs/dbraw/zinc/69/52/98/817695298.db2.gz RLPLGTHIKFHIGS-MRXNPFEDSA-N 0 0 379.279 4.250 40 0 GIABRN CCCCCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000006597307 817707448 /nfs/dbraw/zinc/70/74/48/817707448.db2.gz UFBLZUGLOWGNCD-QFIPXVFZSA-N 0 0 382.529 4.381 40 0 GIABRN CCCCOC(=O)CN1C(=O)S/C(=C\c2cn(CC)c3ccccc23)C1=O ZINC000006629055 817712054 /nfs/dbraw/zinc/71/20/54/817712054.db2.gz RRUIRAKSBGAREV-BOPFTXTBSA-N 0 0 386.473 4.041 40 0 GIABRN CCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C1=O ZINC000006629539 817712636 /nfs/dbraw/zinc/71/26/36/817712636.db2.gz UMZKMMCBKBZMMH-LDADJPATSA-N 0 0 398.484 4.327 40 0 GIABRN CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C1=O ZINC000006951212 817728565 /nfs/dbraw/zinc/72/85/65/817728565.db2.gz FZFDTKVWQNMFLF-MHWRWJLKSA-N 0 0 391.254 4.485 40 0 GIABRN CCOc1ccc(C[C@H]2SC(=O)N(Cc3ccccc3)C2=O)c(OCC)c1 ZINC000006961756 817729821 /nfs/dbraw/zinc/72/98/21/817729821.db2.gz PHDSNUOWOSTLIY-LJQANCHMSA-N 0 0 385.485 4.291 40 0 GIABRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1O[C@H](C)CC ZINC000007071503 817752373 /nfs/dbraw/zinc/75/23/73/817752373.db2.gz AKVLDKJBIXUZQS-CXDFQFJYSA-N 0 0 394.471 4.356 40 0 GIABRN O=C(NCc1cccnc1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000007365791 817825063 /nfs/dbraw/zinc/82/50/63/817825063.db2.gz CZNWQMIZCIWFIZ-UHFFFAOYSA-N 0 0 389.842 4.154 40 0 GIABRN O=C(Nc1ccc2c(c1)OCO2)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000007604341 817877894 /nfs/dbraw/zinc/87/78/94/817877894.db2.gz VOZBTWZDVUQLTQ-UHFFFAOYSA-N 0 0 384.391 4.156 40 0 GIABRN Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 ZINC000007881460 817948981 /nfs/dbraw/zinc/94/89/81/817948981.db2.gz YKLOYLGPOLJZFE-RDJZCZTQSA-N 0 0 399.874 4.124 40 0 GIABRN CCc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000007881838 817949536 /nfs/dbraw/zinc/94/95/36/817949536.db2.gz NSJRLGNQHKZULB-AWEZNQCLSA-N 0 0 387.277 4.003 40 0 GIABRN CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O ZINC000007928250 817961508 /nfs/dbraw/zinc/96/15/08/817961508.db2.gz WGRDFSXUDWGKMA-LBPRGKRZSA-N 0 0 393.270 4.384 40 0 GIABRN Cc1ccc(C)c(OC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 ZINC000007928829 817962393 /nfs/dbraw/zinc/96/23/93/817962393.db2.gz MWNNLFSSJBOOPI-CQSZACIVSA-N 0 0 388.261 4.024 40 0 GIABRN O=C(Oc1ccc(Br)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000007929383 817962896 /nfs/dbraw/zinc/96/28/96/817962896.db2.gz VYOXGNKPHNWQGQ-LLVKDONJSA-N 0 0 394.652 4.061 40 0 GIABRN COc1ccccc1O[C@H](C)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000008041376 817988508 /nfs/dbraw/zinc/98/85/08/817988508.db2.gz DWJUOMIPXDMLAY-CQSZACIVSA-N 0 0 379.909 4.166 40 0 GIABRN Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 ZINC000008041652 817988600 /nfs/dbraw/zinc/98/86/00/817988600.db2.gz OYSHAMJBCWZJLF-SFHVURJKSA-N 0 0 380.488 4.336 40 0 GIABRN Cc1cccc(N(CCCC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)c1 ZINC000008041173 817988609 /nfs/dbraw/zinc/98/86/09/817988609.db2.gz VJMXXRYNYMAJAF-UHFFFAOYSA-N 0 0 388.533 4.303 40 0 GIABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)c(C)c1 ZINC000008049152 817989348 /nfs/dbraw/zinc/98/93/48/817989348.db2.gz NLMOCBZQCRLQRG-QGZVFWFLSA-N 0 0 392.455 4.232 40 0 GIABRN CCc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)C(C(=O)OC)=C2C)cc1 ZINC000008085611 817996571 /nfs/dbraw/zinc/99/65/71/817996571.db2.gz HQFCZVDZFQANDF-ZHZULCJRSA-N 0 0 377.440 4.135 40 0 GIABRN C[C@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O ZINC000008268075 818026718 /nfs/dbraw/zinc/02/67/18/818026718.db2.gz GDPJSUUAVKRPTI-CCNLRRDASA-N 0 0 394.496 4.277 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2C)cc1 ZINC000015348678 818315446 /nfs/dbraw/zinc/31/54/46/818315446.db2.gz RJCUOBWNXGKCMI-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN CCn1cc(CN2CCO[C@@H](c3ccc(Cc4ccccc4Cl)cn3)C2)cn1 ZINC000019686956 818598879 /nfs/dbraw/zinc/59/88/79/818598879.db2.gz VXIDIVFNGLGRDX-JOCHJYFZSA-N 0 0 396.922 4.116 40 0 GIABRN COc1cccc(CN2CCO[C@H](c3ccc(-c4ccccc4F)cn3)C2)c1 ZINC000019692551 818598892 /nfs/dbraw/zinc/59/88/92/818598892.db2.gz JCVSVCKMJKACFK-QHCPKHFHSA-N 0 0 378.447 4.470 40 0 GIABRN Fc1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CCc3ccccc3C2)cc1 ZINC000020120925 818614420 /nfs/dbraw/zinc/61/44/20/818614420.db2.gz RFHJPWJXTJBWQI-QHCPKHFHSA-N 0 0 399.473 4.008 40 0 GIABRN 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]3CC[C@]12C ZINC000029345618 820440699 /nfs/dbraw/zinc/44/06/99/820440699.db2.gz LNQFXEKUXJUUMN-LSXNRQBNSA-N 0 0 376.537 4.138 40 0 GIABRN Cc1ccc2c(c1)c(=O)[nH]c1c(C(=O)NCc3ccccc3)sc(=S)n12 ZINC000033251560 821055043 /nfs/dbraw/zinc/05/50/43/821055043.db2.gz CUCLNWAUBYRZON-UHFFFAOYSA-N 0 0 381.482 4.223 40 0 GIABRN CSc1nnc(C)n1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000033772239 821060097 /nfs/dbraw/zinc/06/00/97/821060097.db2.gz SULUURNHMGMGQN-UHFFFAOYSA-N 0 0 383.260 4.259 40 0 GIABRN CCc1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000034836936 821062636 /nfs/dbraw/zinc/06/26/36/821062636.db2.gz JRRIEHXWVPMBFK-WQRHYEAKSA-N 0 0 396.424 4.076 40 0 GIABRN Cc1cccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 ZINC000006056770 230843505 /nfs/dbraw/zinc/84/35/05/230843505.db2.gz ULGHAPYIPSUECO-GFCCVEGCSA-N 0 0 382.243 4.251 40 0 GIABRN O=C(Nc1ccccc1F)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000006343748 230845530 /nfs/dbraw/zinc/84/55/30/230845530.db2.gz OUVPCMJTHBPJBI-OAQYLSRUSA-N 0 0 396.443 4.445 40 0 GIABRN Cc1cccc(N2CCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)c1C ZINC000014400775 230888733 /nfs/dbraw/zinc/88/87/33/230888733.db2.gz ZLFYGGBJYZIDQL-UHFFFAOYSA-N 0 0 377.532 4.256 40 0 GIABRN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc(Cl)c(Cl)c1 ZINC000019983628 230902806 /nfs/dbraw/zinc/90/28/06/230902806.db2.gz QQQUKMALWIIMLR-UHFFFAOYSA-N 0 0 385.634 4.011 40 0 GIABRN O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000020612179 230905851 /nfs/dbraw/zinc/90/58/51/230905851.db2.gz XWUCPRVMSKEAEZ-UHFFFAOYSA-N 0 0 391.298 4.162 40 0 GIABRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1Cl ZINC000409074476 529383067 /nfs/dbraw/zinc/38/30/67/529383067.db2.gz LXYSPWCRTGZJFX-SCVIVROUSA-N 0 0 397.880 4.115 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC(C)C)ccc2C)c(C)c1 ZINC000408546056 231056345 /nfs/dbraw/zinc/05/63/45/231056345.db2.gz PWLWCABCUUYFGM-UHFFFAOYSA-N 0 0 388.533 4.189 40 0 GIABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(F)cc1 ZINC000408619078 231082238 /nfs/dbraw/zinc/08/22/38/231082238.db2.gz FXWPQBFCCQWKFL-UHFFFAOYSA-N 0 0 397.269 4.032 40 0 GIABRN Cc1cc(Cl)ccc1NC(=O)CNC(=O)c1ccc(COc2ccccc2)o1 ZINC000408564067 231064635 /nfs/dbraw/zinc/06/46/35/231064635.db2.gz XKDOYEPFBWFIEU-UHFFFAOYSA-N 0 0 398.846 4.189 40 0 GIABRN Cc1cccc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCCC3)c1 ZINC000408583026 231066439 /nfs/dbraw/zinc/06/64/39/231066439.db2.gz QZUMJWDEGHUKAF-UHFFFAOYSA-N 0 0 381.423 4.413 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1C(=O)NCC(C)C ZINC000408584033 231067979 /nfs/dbraw/zinc/06/79/79/231067979.db2.gz LGHQKZTWLZRXCS-UHFFFAOYSA-N 0 0 396.512 4.335 40 0 GIABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N(C)Cc2ccccc2)cc1 ZINC000408674855 231093159 /nfs/dbraw/zinc/09/31/59/231093159.db2.gz DHPDQWKMLLIZQD-UHFFFAOYSA-N 0 0 398.462 4.456 40 0 GIABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccccc2)cc1 ZINC000408676498 231093687 /nfs/dbraw/zinc/09/36/87/231093687.db2.gz OKCYPYMWFIDQSA-UHFFFAOYSA-N 0 0 384.435 4.114 40 0 GIABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)c(C)c1 ZINC000408681764 231094518 /nfs/dbraw/zinc/09/45/18/231094518.db2.gz SJWDJHIKIZFHRA-GOSISDBHSA-N 0 0 380.488 4.336 40 0 GIABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3N3CCC(C)CC3)CC2=O)cc1 ZINC000408706727 231100120 /nfs/dbraw/zinc/10/01/20/231100120.db2.gz CSZYITYIAYOXST-LJQANCHMSA-N 0 0 391.515 4.223 40 0 GIABRN O=C(CSc1nnc(Cc2ccccc2)[nH]1)Nc1cc(Cl)ccc1Cl ZINC000408711581 231103260 /nfs/dbraw/zinc/10/32/60/231103260.db2.gz WQVCNVCJIZVPNA-UHFFFAOYSA-N 0 0 393.299 4.433 40 0 GIABRN Cc1ccc(-n2nc3cc(C)c(NC(=O)c4cccnc4Cl)cc3n2)cc1 ZINC000408622787 231084201 /nfs/dbraw/zinc/08/42/01/231084201.db2.gz RPIRJKCJSQTDMC-UHFFFAOYSA-N 0 0 377.835 4.338 40 0 GIABRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccccc2F)C1=O ZINC000409163156 231173581 /nfs/dbraw/zinc/17/35/81/231173581.db2.gz MOACWSOXPBAJDS-MHWRWJLKSA-N 0 0 384.432 4.118 40 0 GIABRN O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)N1CCCCCC1 ZINC000409185720 231176050 /nfs/dbraw/zinc/17/60/50/231176050.db2.gz PBBNWMLEFAARQY-HSZRJFAPSA-N 0 0 394.540 4.477 40 0 GIABRN Cn1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)c2ccccc21 ZINC000409226922 231183204 /nfs/dbraw/zinc/18/32/04/231183204.db2.gz WJXYWCWOBLKXMJ-YBFXNURJSA-N 0 0 376.437 4.098 40 0 GIABRN O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)Nc1cccc(F)c1 ZINC000409230614 231184409 /nfs/dbraw/zinc/18/44/09/231184409.db2.gz DKFCVBXURHRNQE-OVCLIPMQSA-N 0 0 390.823 4.154 40 0 GIABRN CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C(C)(C)C)cc3n2)cc1 ZINC000408628378 529580346 /nfs/dbraw/zinc/58/03/46/529580346.db2.gz SCPHFRUBVVCKGC-UHFFFAOYSA-N 0 0 395.532 4.150 40 0 GIABRN CCc1ccccc1NC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)c1 ZINC000408673936 529600258 /nfs/dbraw/zinc/60/02/58/529600258.db2.gz WFOBGNKUQATBFL-CDHQVMDDSA-N 0 0 390.483 4.427 40 0 GIABRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(F)c3)C2=O)cc1 ZINC000409174349 529674865 /nfs/dbraw/zinc/67/48/65/529674865.db2.gz SQSGKXLVHDUJQM-GZTJUZNOSA-N 0 0 384.432 4.063 40 0 GIABRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)COc1ccccc1 ZINC000408713884 530029672 /nfs/dbraw/zinc/02/96/72/530029672.db2.gz BYKQQYPVHPOJQY-UHFFFAOYSA-N 0 0 379.460 4.072 40 0 GIABRN CN(c1cccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1)S(C)(=O)=O ZINC000409132191 530035410 /nfs/dbraw/zinc/03/54/10/530035410.db2.gz LRUDLGBKKGSJLP-VQHVLOKHSA-N 0 0 399.299 4.041 40 0 GIABRN CCCC(=O)N1CCC(Cc2ccccc2-c2cccs2)(C(=O)N(C)C)CC1 ZINC000257229752 222758916 /nfs/dbraw/zinc/75/89/16/222758916.db2.gz FZJKZCFCPIRPHH-UHFFFAOYSA-N 0 0 398.572 4.455 40 0 GIABRN O=C(Nc1nccs1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 ZINC000257231493 222759303 /nfs/dbraw/zinc/75/93/03/222759303.db2.gz GGYRLMFJZDCSPR-UHFFFAOYSA-N 0 0 379.485 4.183 40 0 GIABRN CC(C)C(=O)N1CCO[C@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 ZINC000257243021 222763094 /nfs/dbraw/zinc/76/30/94/222763094.db2.gz IFFAFOQGKZVDEH-IBGZPJMESA-N 0 0 392.421 4.247 40 0 GIABRN COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2C)ccc1O ZINC000006925043 209128029 /nfs/dbraw/zinc/12/80/29/209128029.db2.gz JEKYBNHMSILYQO-WNOPAQSVSA-N 0 0 395.499 4.218 40 0 GIABRN O=C(NCc1ccccc1)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000005947006 209123522 /nfs/dbraw/zinc/12/35/22/209123522.db2.gz HWMAKJGPYTVKQD-HOCLYGCPSA-N 0 0 390.365 4.066 40 0 GIABRN O=C(OCc1cccc(Cl)c1)c1cccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000100391361 209122368 /nfs/dbraw/zinc/12/23/68/209122368.db2.gz VSMFLQLXCXUOQP-KDURUIRLSA-N 0 0 397.858 4.377 40 0 GIABRN C[C@@H](OC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1)c1ccccc1 ZINC000100391304 209122405 /nfs/dbraw/zinc/12/24/05/209122405.db2.gz SVVQWTYCSSDGFR-XPGWFJOJSA-N 0 0 377.440 4.284 40 0 GIABRN Cc1ccccc1OCc1nc(-c2ccc(NC(=O)c3ccncc3)cc2)no1 ZINC000002931060 209117708 /nfs/dbraw/zinc/11/77/08/209117708.db2.gz FMAVNFQLHPZKAH-UHFFFAOYSA-N 0 0 386.411 4.271 40 0 GIABRN CCc1c(C)sc2ncn3nc(-c4ccc(Cn5cc(Cl)cn5)o4)nc3c12 ZINC000002789944 209116648 /nfs/dbraw/zinc/11/66/48/209116648.db2.gz FOEHYGPWORMRMC-UHFFFAOYSA-N 0 0 398.879 4.368 40 0 GIABRN CCN1C(=O)/C(=C/c2ccc(OC)cc2OC)N(c2ccc(C)cc2)C1=S ZINC000002785805 209115625 /nfs/dbraw/zinc/11/56/25/209115625.db2.gz UUVMNCQNAXPYFV-PDGQHHTCSA-N 0 0 382.485 4.007 40 0 GIABRN O=C(c1ccc(N2C(=O)c3cccc4cccc(c43)C2=O)cc1)N1CCCCC1 ZINC000002741551 209114914 /nfs/dbraw/zinc/11/49/14/209114914.db2.gz ADWFLGAJIWRAAF-UHFFFAOYSA-N 0 0 384.435 4.267 40 0 GIABRN Cc1nc2[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3)nc2cc1Br ZINC000071257618 209110361 /nfs/dbraw/zinc/11/03/61/209110361.db2.gz AKEMQZMKURBHRI-UHFFFAOYSA-N 0 0 395.301 4.143 40 0 GIABRN CCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C(F)(F)F)n1 ZINC000329065665 206244231 /nfs/dbraw/zinc/24/42/31/206244231.db2.gz XTNSNGKSDBVWDK-UHFFFAOYSA-N 0 0 384.711 4.187 40 0 GIABRN Clc1cccc(CNc2cc(-c3ccccn3)nc(NC3CCCC3)n2)c1 ZINC000328992597 206238741 /nfs/dbraw/zinc/23/87/41/206238741.db2.gz IXPBLVJTQWVNFL-UHFFFAOYSA-N 0 0 379.895 4.002 40 0 GIABRN Fc1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)cc1F ZINC000328990952 206239785 /nfs/dbraw/zinc/23/97/85/206239785.db2.gz IQTRGEVWZVODKW-UHFFFAOYSA-N 0 0 381.430 4.149 40 0 GIABRN Fc1cc(Nc2cc(Cl)nc(-c3ccccn3)n2)cc(F)c1Br ZINC000328993140 206239856 /nfs/dbraw/zinc/23/98/56/206239856.db2.gz IZEFEOMMCCJIQT-UHFFFAOYSA-N 0 0 397.610 4.398 40 0 GIABRN Fc1cccc(F)c1Nc1cc(-c2ccccn2)nc(NC2CCCCC2)n1 ZINC000328995861 206240169 /nfs/dbraw/zinc/24/01/69/206240169.db2.gz JITUWPPKBIFSNG-UHFFFAOYSA-N 0 0 381.430 4.149 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1 ZINC000329027085 206240594 /nfs/dbraw/zinc/24/05/94/206240594.db2.gz PQUKFSAUJRFRIP-FQEVSTJZSA-N 0 0 396.922 4.260 40 0 GIABRN Cc1ccc(Nc2cc(C3CC3)nc(N[C@@H](CO)C(C)C)n2)cc1C(F)(F)F ZINC000328998557 206241203 /nfs/dbraw/zinc/24/12/03/206241203.db2.gz JSTQGPQMWGTJLG-KRWDZBQOSA-N 0 0 394.441 4.276 40 0 GIABRN Cc1cccc(C)c1Nc1cc(-c2ccccc2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329040724 206242862 /nfs/dbraw/zinc/24/28/62/206242862.db2.gz SDWFAVSAYIPHLE-FQEVSTJZSA-N 0 0 376.504 4.355 40 0 GIABRN Cc1cccc(C)c1Nc1cc(-c2ccccc2)nc(N[C@H](CO)C(C)C)n1 ZINC000329040726 206243027 /nfs/dbraw/zinc/24/30/27/206243027.db2.gz SDWFAVSAYIPHLE-HXUWFJFHSA-N 0 0 376.504 4.355 40 0 GIABRN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000036092262 206257246 /nfs/dbraw/zinc/25/72/46/206257246.db2.gz APHRIKPQAZBISP-LOHFZDIYSA-N 0 0 379.843 4.231 40 0 GIABRN CC(C)(Oc1ccc(Br)cc1)C(=O)n1cc(CO)c2ccccc21 ZINC000216930490 206257559 /nfs/dbraw/zinc/25/75/59/206257559.db2.gz YKHSBUWIRXZOQS-UHFFFAOYSA-N 0 0 388.261 4.394 40 0 GIABRN CCOc1cc(C(N)=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000216780071 206252139 /nfs/dbraw/zinc/25/21/39/206252139.db2.gz GGMKOVFYPBPITM-UHFFFAOYSA-N 0 0 384.657 4.179 40 0 GIABRN CCc1ccccc1NC(=O)Nc1cccn(Cc2cccc(OC)c2)c1=O ZINC000001354184 206261093 /nfs/dbraw/zinc/26/10/93/206261093.db2.gz WXCYMEPRCGPIEU-UHFFFAOYSA-N 0 0 377.444 4.112 40 0 GIABRN COc1cc2nc(-c3cc(OC)c(OC)c(OC)c3)oc2c(Br)c1 ZINC000045920246 206263713 /nfs/dbraw/zinc/26/37/13/206263713.db2.gz LBXLRZFXCOGSJF-UHFFFAOYSA-N 0 0 394.221 4.292 40 0 GIABRN CCc1c(Br)c(N)c(Br)c(C)c1NC(=O)C(C)C ZINC000045890775 206264332 /nfs/dbraw/zinc/26/43/32/206264332.db2.gz IVZLSVNEXPDGJZ-UHFFFAOYSA-N 0 0 378.108 4.259 40 0 GIABRN Cc1cc(C)n(-c2nc3c(s2)c(C)c(I)cc3C)n1 ZINC000040542217 206264429 /nfs/dbraw/zinc/26/44/29/206264429.db2.gz AYQNYAWABVLLDE-UHFFFAOYSA-N 0 0 383.258 4.320 40 0 GIABRN Cc1c(Br)c(N)c(Br)c(C)c1NC(=O)CC(C)C ZINC000045890786 206263428 /nfs/dbraw/zinc/26/34/28/206263428.db2.gz GJZOORITGBHSOB-UHFFFAOYSA-N 0 0 378.108 4.395 40 0 GIABRN COC(=O)c1sc2cc(NC(=O)c3ccn(C(F)F)n3)ccc2c1Cl ZINC000002793860 206291674 /nfs/dbraw/zinc/29/16/74/206291674.db2.gz IXJBGINJVBTKKS-UHFFFAOYSA-N 0 0 385.779 4.185 40 0 GIABRN O=C(c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F)N1CCCCC1 ZINC000000866017 206329519 /nfs/dbraw/zinc/32/95/19/206329519.db2.gz WHCQOICYHPFYHM-CVEARBPZSA-N 0 0 396.388 4.309 40 0 GIABRN Cc1cc2ccc(C)c(C)c2n2c(SCC(=O)N3CCCCCC3)nnc12 ZINC000000903232 206331961 /nfs/dbraw/zinc/33/19/61/206331961.db2.gz JUWUSIKTGMEYEW-UHFFFAOYSA-N 0 0 382.533 4.302 40 0 GIABRN CC1(C)C[C@]2(C[C@@H](c3ccc(Cl)cc3)c3ccc(O)cc3O2)NC(=S)N1 ZINC000000908125 206333669 /nfs/dbraw/zinc/33/36/69/206333669.db2.gz RLMGQYYFQOXBIS-OXJNMPFZSA-N 0 0 388.920 4.303 40 0 GIABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000001049571 206346293 /nfs/dbraw/zinc/34/62/93/206346293.db2.gz MRGKJCXNPAQRCF-GOSISDBHSA-N 0 0 384.495 4.374 40 0 GIABRN CCOC(=O)[C@@]12C(=O)OC(C)(C)[C@@H]1[C@@]2(CC)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000001321182 206373052 /nfs/dbraw/zinc/37/30/52/206373052.db2.gz PLDYGSKHZGDVNQ-NLSFWIRASA-N 0 0 386.488 4.078 40 0 GIABRN O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1CNc1ccc(Cl)cc1 ZINC000001514218 206386140 /nfs/dbraw/zinc/38/61/40/206386140.db2.gz HDPQMYIMHNHUKA-LZYBPNLTSA-N 0 0 388.832 4.175 40 0 GIABRN O=C1CC[C@H](c2nnc(COc3ccc(Cl)cc3)o2)N1Cc1ccccc1 ZINC000001613036 206386646 /nfs/dbraw/zinc/38/66/46/206386646.db2.gz HNYCKSMRTQHKTA-QGZVFWFLSA-N 0 0 383.835 4.166 40 0 GIABRN O=C(Nc1nnc(-c2ccccc2)s1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000001611343 206387179 /nfs/dbraw/zinc/38/71/79/206387179.db2.gz VCLDEQIZVKXPBB-UHFFFAOYSA-N 0 0 383.816 4.217 40 0 GIABRN COc1ccc(C2=C(C)C[C@@H]3c4cc(OC)c(OC)cc4CCN3C2)cc1OC ZINC000001721515 206389646 /nfs/dbraw/zinc/38/96/46/206389646.db2.gz WMNVBKJMCIEITE-HXUWFJFHSA-N 0 0 395.499 4.498 40 0 GIABRN CC[C@H](OC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccco1 ZINC000001703543 206389797 /nfs/dbraw/zinc/38/97/97/206389797.db2.gz ORJZPHWPLMUBHL-KRWDZBQOSA-N 0 0 392.477 4.154 40 0 GIABRN COc1cc([C@@H](C)S(=O)(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000001681969 206390078 /nfs/dbraw/zinc/39/00/78/206390078.db2.gz YXOJHGOHMFBDPY-MRXNPFEDSA-N 0 0 396.464 4.449 40 0 GIABRN Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H](C)C(=O)c2ccccc2)cc1 ZINC000001691756 206390235 /nfs/dbraw/zinc/39/02/35/206390235.db2.gz RPPKTYNSIJSGIM-SFHVURJKSA-N 0 0 379.481 4.462 40 0 GIABRN O=C(COC(=O)c1ccccc1F)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001962517 206395646 /nfs/dbraw/zinc/39/56/46/206395646.db2.gz MHMAKALSSDETSO-UHFFFAOYSA-N 0 0 375.705 4.293 40 0 GIABRN CC(C)ON1C(=O)CN(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000004357081 206517922 /nfs/dbraw/zinc/51/79/22/206517922.db2.gz MJJUMMNPLHIWMZ-SFHVURJKSA-N 0 0 393.270 4.317 40 0 GIABRN O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000005515896 206616241 /nfs/dbraw/zinc/61/62/41/206616241.db2.gz YAGBCUUQPLELOC-JOCHJYFZSA-N 0 0 376.843 4.436 40 0 GIABRN O=C(c1noc(-c2cccs2)c1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000005681676 206623917 /nfs/dbraw/zinc/62/39/17/206623917.db2.gz IDNHUJDIZPRFHQ-UHFFFAOYSA-N 0 0 395.461 4.467 40 0 GIABRN O=C(CSc1ncnc2c(-c3ccc(Cl)cc3)nsc21)N1CCCC1 ZINC000035289103 206627204 /nfs/dbraw/zinc/62/72/04/206627204.db2.gz WBZYIRYSLIKVAZ-UHFFFAOYSA-N 0 0 390.921 4.121 40 0 GIABRN COc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1Br ZINC000006275145 206647407 /nfs/dbraw/zinc/64/74/07/206647407.db2.gz AMGVNGXLWZFJBC-UHFFFAOYSA-N 0 0 399.697 4.238 40 0 GIABRN O=C(Nc1ccc(F)cc1F)N1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 ZINC000035315684 206641487 /nfs/dbraw/zinc/64/14/87/206641487.db2.gz NIQIXGXWFMOWGY-RAKKMVLPSA-N 0 0 376.378 4.150 40 0 GIABRN COCCN(C(=O)c1ccc(F)cc1)c1nnc(-c2ccc(Cl)cc2)s1 ZINC000035311125 206643837 /nfs/dbraw/zinc/64/38/37/206643837.db2.gz TXEGWMZWPAOYAV-UHFFFAOYSA-N 0 0 391.855 4.291 40 0 GIABRN Cc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C(=O)NCc2ccccc2)c1 ZINC000035311113 206643847 /nfs/dbraw/zinc/64/38/47/206643847.db2.gz GXURTKZQJRVAOV-FRIKZZABSA-N 0 0 391.515 4.020 40 0 GIABRN Cc1cc(I)cnc1NC(=O)c1ccc2ccccc2c1 ZINC000006572490 206655615 /nfs/dbraw/zinc/65/56/15/206655615.db2.gz AFUAMKJANURIBD-UHFFFAOYSA-N 0 0 388.208 4.400 40 0 GIABRN O=c1c2ccccc2n2c(-c3ccc(F)c(F)c3)nnc2n1Cc1ccccc1 ZINC000006781144 206675566 /nfs/dbraw/zinc/67/55/66/206675566.db2.gz CLMNRFNDQCEWPD-UHFFFAOYSA-N 0 0 388.377 4.038 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000008316523 206745514 /nfs/dbraw/zinc/74/55/14/206745514.db2.gz OVZYQLQXUIAWLS-UHFFFAOYSA-N 0 0 380.444 4.023 40 0 GIABRN Cc1ccc(C(=O)c2noc(-c3ccco3)c2S(=O)(=O)c2ccccc2)cc1 ZINC000008302612 206745646 /nfs/dbraw/zinc/74/56/46/206745646.db2.gz VAEQELHMYACLKS-UHFFFAOYSA-N 0 0 393.420 4.307 40 0 GIABRN Cc1cc(C)c(N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c(C)c1 ZINC000011566429 206826010 /nfs/dbraw/zinc/82/60/10/206826010.db2.gz OGPBZGBPPBDOCP-UHFFFAOYSA-N 0 0 386.561 4.048 40 0 GIABRN COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)c2cc(C(C)C)nn2C)cc1 ZINC000012162416 206864884 /nfs/dbraw/zinc/86/48/84/206864884.db2.gz OLTCEPRGEMPZBB-GPHNJDIKSA-N 0 0 381.520 4.254 40 0 GIABRN O=C(CC1CC1)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC3CCC3)c12 ZINC000306140252 209105918 /nfs/dbraw/zinc/10/59/18/209105918.db2.gz UOBIEHJZNPJUPG-UHFFFAOYSA-N 0 0 391.515 4.360 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000014215676 207016788 /nfs/dbraw/zinc/01/67/88/207016788.db2.gz WSDVSWVFVSEKEV-UHFFFAOYSA-N 0 0 382.391 4.229 40 0 GIABRN CCc1ccc(OCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 ZINC000014582743 207025077 /nfs/dbraw/zinc/02/50/77/207025077.db2.gz MSULOZYGIFXBPT-UHFFFAOYSA-N 0 0 385.514 4.410 40 0 GIABRN CCOc1ccc(-c2nnc(NC(=O)c3ccc(Br)cc3)o2)cc1 ZINC000014721000 207026440 /nfs/dbraw/zinc/02/64/40/207026440.db2.gz WYDULROOMVWGKS-UHFFFAOYSA-N 0 0 388.221 4.150 40 0 GIABRN C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000015197105 207048752 /nfs/dbraw/zinc/04/87/52/207048752.db2.gz TZEUCZYEEVDWMB-JXPAYYINSA-N 0 0 398.311 4.288 40 0 GIABRN Cc1ccc(C)c(NC(=O)Cn2ccc(C(=O)Nc3cc(C)ccc3C)n2)c1 ZINC000036617866 207049240 /nfs/dbraw/zinc/04/92/40/207049240.db2.gz CPIMZMHQBUXQBW-UHFFFAOYSA-N 0 0 376.460 4.008 40 0 GIABRN O=C(NCc1c(F)c(F)c(F)c(F)c1F)c1ccc(Br)cc1 ZINC000015776585 207061282 /nfs/dbraw/zinc/06/12/82/207061282.db2.gz IOLFRLWIQLOMRF-UHFFFAOYSA-N 0 0 380.110 4.075 40 0 GIABRN COC(=O)c1ccccc1NC(=O)/C=C/c1cc(Cl)cc(Cl)c1OC ZINC000016194585 207074436 /nfs/dbraw/zinc/07/44/36/207074436.db2.gz HHSRZGMFQVAOPN-BQYQJAHWSA-N 0 0 380.227 4.441 40 0 GIABRN CCCc1nn(CC(=O)Nc2cccc(Cl)c2C)c(=S)n1-n1cccc1 ZINC000016777294 207078237 /nfs/dbraw/zinc/07/82/37/207078237.db2.gz DSAAGPBWWARAMM-UHFFFAOYSA-N 0 0 389.912 4.080 40 0 GIABRN CC(=O)n1cnc2c1SC(c1ccc(C3CCCCC3)cc1)=NN2C(C)=O ZINC000016777636 207078898 /nfs/dbraw/zinc/07/88/98/207078898.db2.gz ZESXYXVANPKXSY-UHFFFAOYSA-N 0 0 382.489 4.411 40 0 GIABRN COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000017970422 207090580 /nfs/dbraw/zinc/09/05/80/207090580.db2.gz QRULHYKRLXJDMG-CHWSQXEVSA-N 0 0 378.266 4.102 40 0 GIABRN CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1ccc(OC)cc1 ZINC000018131620 207094220 /nfs/dbraw/zinc/09/42/20/207094220.db2.gz KOWYXVWSPCZZNY-SCLBCKFNSA-N 0 0 392.293 4.493 40 0 GIABRN COc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)c1 ZINC000017227276 207088436 /nfs/dbraw/zinc/08/84/36/207088436.db2.gz BEXVNFIARFTXPI-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)Cc1ccccc1 ZINC000019017569 207099543 /nfs/dbraw/zinc/09/95/43/207099543.db2.gz QAKJPBPZOCDYHO-VDKIKQQVSA-N 0 0 390.527 4.015 40 0 GIABRN CC(C)C(=O)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 ZINC000019085157 207102088 /nfs/dbraw/zinc/10/20/88/207102088.db2.gz WQTWUASREKQTFJ-GOSISDBHSA-N 0 0 387.487 4.254 40 0 GIABRN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1c1[nH]ncc1-c1cc(C)no1 ZINC000019121053 207103205 /nfs/dbraw/zinc/10/32/05/207103205.db2.gz STWMZMQJIVCKCR-OAHLLOKOSA-N 0 0 386.839 4.012 40 0 GIABRN CNC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)C(C)C)C1 ZINC000019085403 207103249 /nfs/dbraw/zinc/10/32/49/207103249.db2.gz JWVCLXGEHLHXBV-DEOSSOPVSA-N 0 0 396.506 4.046 40 0 GIABRN Cc1cnc2[nH]c(C(C)C)c(CN3CCN(C(=O)c4cccc(F)c4)CC3)c2c1 ZINC000019124942 207104954 /nfs/dbraw/zinc/10/49/54/207104954.db2.gz BYAUDPWGFJUAMO-UHFFFAOYSA-N 0 0 394.494 4.092 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@H]2CCCCN2C(=O)c2cccc(F)c2)on1 ZINC000019121924 207105137 /nfs/dbraw/zinc/10/51/37/207105137.db2.gz WWMRCVAELCWKFE-GOSISDBHSA-N 0 0 380.423 4.255 40 0 GIABRN Cc1cc(-c2cnc(NCCNC(=O)CC(C)C)nc2-c2ccc(C)s2)on1 ZINC000019217409 207108051 /nfs/dbraw/zinc/10/80/51/207108051.db2.gz SJZBDGIGMKKGLL-UHFFFAOYSA-N 0 0 399.520 4.051 40 0 GIABRN Cc1ccc([C@H]2CCCN2C(=O)c2cc(C(C)(C)C)n3ncnc3n2)cc1C ZINC000019213834 207108328 /nfs/dbraw/zinc/10/83/28/207108328.db2.gz ZEYSQKAQPDKPKT-GOSISDBHSA-N 0 0 377.492 4.016 40 0 GIABRN Cc1cccc(-c2ccccc2C[C@]2(C(N)=O)CCN(C(=O)CC(C)(C)C)C2)c1 ZINC000019235463 207108893 /nfs/dbraw/zinc/10/88/93/207108893.db2.gz YKJUZTTVIQRSKT-RUZDIDTESA-N 0 0 392.543 4.345 40 0 GIABRN COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)c1cccc(C)c1 ZINC000019234431 207109041 /nfs/dbraw/zinc/10/90/41/207109041.db2.gz AZVXHCWHBVWENF-FQEVSTJZSA-N 0 0 375.472 4.056 40 0 GIABRN Cc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000019286795 207112645 /nfs/dbraw/zinc/11/26/45/207112645.db2.gz OYFMPTDTIVUQPZ-OAQYLSRUSA-N 0 0 390.462 4.282 40 0 GIABRN Cn1ccnc1-c1nc(NCc2ccc(F)cc2)ncc1-c1ccccc1F ZINC000019291701 207114629 /nfs/dbraw/zinc/11/46/29/207114629.db2.gz NZZYSEVFKSPUNL-UHFFFAOYSA-N 0 0 377.398 4.434 40 0 GIABRN O=C(NC1CC1)c1cc([C@@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)no1 ZINC000019292909 207114963 /nfs/dbraw/zinc/11/49/63/207114963.db2.gz NKFNXTFHIDQQMI-CYBMUJFWSA-N 0 0 394.302 4.253 40 0 GIABRN O=C(CCOc1cccc(F)c1)N1CCC[C@H]1c1nnc(-c2ccsc2)o1 ZINC000019294250 207115344 /nfs/dbraw/zinc/11/53/44/207115344.db2.gz VIQGKWTWUANSSC-INIZCTEOSA-N 0 0 387.436 4.070 40 0 GIABRN O=C(N[C@H](c1ccc(Cl)cc1)c1cccnc1)c1ccc(Cn2ccnc2)o1 ZINC000019338194 207116318 /nfs/dbraw/zinc/11/63/18/207116318.db2.gz FNJHWJIQQWJRMX-HXUWFJFHSA-N 0 0 392.846 4.092 40 0 GIABRN CCC(=O)N1CC[C@](Cc2ccc(-c3ccccc3)cc2)(C(=O)N2CCCC2)C1 ZINC000019498401 207125987 /nfs/dbraw/zinc/12/59/87/207125987.db2.gz LQOHHUDLPNKQNF-RUZDIDTESA-N 0 0 390.527 4.147 40 0 GIABRN C[C@@H]1CCc2c(C(=O)N3CCC(c4cc5nccnc5[nH]4)CC3)csc2C1 ZINC000019497177 207126008 /nfs/dbraw/zinc/12/60/08/207126008.db2.gz ZDMHXFXOIGXMIJ-CYBMUJFWSA-N 0 0 380.517 4.164 40 0 GIABRN CCCN1CCN(C(=O)CC)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000019503169 207126417 /nfs/dbraw/zinc/12/64/17/207126417.db2.gz YYQBLONOXZZLBV-NRFANRHFSA-N 0 0 378.516 4.003 40 0 GIABRN CCCC(=O)N1CC[C@](Cc2ccccc2-c2cccs2)(C(=O)NCC)C1 ZINC000019501073 207126615 /nfs/dbraw/zinc/12/66/15/207126615.db2.gz RNKADRUMIIBHOA-JOCHJYFZSA-N 0 0 384.545 4.113 40 0 GIABRN CCC(CC)C(=O)N(C)C1CCC2(CC1)CN(C(C)=O)Cc1ccccc1O2 ZINC000019500050 207126720 /nfs/dbraw/zinc/12/67/20/207126720.db2.gz AYQJWNNZFIWCBS-UHFFFAOYSA-N 0 0 386.536 4.004 40 0 GIABRN CCCC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2)(C(=O)NC(C)C)C1 ZINC000019501058 207127551 /nfs/dbraw/zinc/12/75/51/207127551.db2.gz HTSIBRRKAUVJFZ-VWLOTQADSA-N 0 0 392.543 4.440 40 0 GIABRN CCc1nnsc1C(=O)Nc1nc(-c2c(C)n(C)c3ccccc32)cs1 ZINC000019521911 207127568 /nfs/dbraw/zinc/12/75/68/207127568.db2.gz HQKPDIXURMNEDX-UHFFFAOYSA-N 0 0 383.502 4.276 40 0 GIABRN CCn1nc2c(c1C(=O)N(Cc1ccccc1)Cc1cccc(C)n1)CCCC2 ZINC000019524085 207127874 /nfs/dbraw/zinc/12/78/74/207127874.db2.gz QQPAENOAGCBVKL-UHFFFAOYSA-N 0 0 388.515 4.328 40 0 GIABRN CCOc1ccc(O[C@@H](C)C(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)cc1 ZINC000019533574 207130086 /nfs/dbraw/zinc/13/00/86/207130086.db2.gz PAEPFOKBUZGKRA-INIZCTEOSA-N 0 0 393.487 4.135 40 0 GIABRN COc1cc2c(cc1CN[C@H](Cc1ccsc1)c1nccs1)OCCO2 ZINC000019550646 207130557 /nfs/dbraw/zinc/13/05/57/207130557.db2.gz UTPANWILOIQGRT-OAHLLOKOSA-N 0 0 388.514 4.058 40 0 GIABRN O=C(C1CCCC1)N1CCC(c2nc(NC3CC3)ncc2-c2ccncc2)CC1 ZINC000019405732 207122498 /nfs/dbraw/zinc/12/24/98/207122498.db2.gz DRJSZTAALZNZBA-UHFFFAOYSA-N 0 0 391.519 4.009 40 0 GIABRN C[C@@H](Cn1cnc2ccccc21)C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000019457703 207123065 /nfs/dbraw/zinc/12/30/65/207123065.db2.gz NGXDXKYEFKNTOA-ROUUACIJSA-N 0 0 395.478 4.129 40 0 GIABRN COc1cccc([C@@H]2N[C@H](c3cccnc3OC)Cc3cc(OC)ccc32)c1 ZINC000019566503 207136915 /nfs/dbraw/zinc/13/69/15/207136915.db2.gz LMWMMGBAYXLZBJ-VXKWHMMOSA-N 0 0 376.456 4.084 40 0 GIABRN Cc1nn([C@H](C)CC(=O)N[C@H](c2cccs2)c2ccncc2)c(C)c1Cl ZINC000019577554 207137985 /nfs/dbraw/zinc/13/79/85/207137985.db2.gz HUJRZQUXFLGYSG-BLVKFPJESA-N 0 0 388.924 4.467 40 0 GIABRN Cc1[nH]c2c(cccc2C(=O)N[C@H](c2nccn2C)c2ccc(F)cc2)c1C ZINC000019576932 207138684 /nfs/dbraw/zinc/13/86/84/207138684.db2.gz SGKDSHMICQDJBW-IBGZPJMESA-N 0 0 376.435 4.177 40 0 GIABRN CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CCC2)C1 ZINC000019579746 207139142 /nfs/dbraw/zinc/13/91/42/207139142.db2.gz ICONRDRXZXJFAW-RUZDIDTESA-N 0 0 390.527 4.003 40 0 GIABRN Cc1nn(C)cc1CN1CCCCC[C@H]1c1cc(-c2ccc3c(c2)OCO3)on1 ZINC000019583866 207139282 /nfs/dbraw/zinc/13/92/82/207139282.db2.gz JOSVQNJRNSYOSN-IBGZPJMESA-N 0 0 394.475 4.230 40 0 GIABRN Cc1noc(-c2cn[nH]c2[C@H]2CCCCN2C(=O)Cc2ccccc2F)c1C ZINC000019557870 207132563 /nfs/dbraw/zinc/13/25/63/207132563.db2.gz MTMCXAXEIOPKBM-GOSISDBHSA-N 0 0 382.439 4.117 40 0 GIABRN Cc1nc2ccccn2c1CN1CCCC[C@@H]1c1nnc(-c2ccsc2)o1 ZINC000019555002 207132922 /nfs/dbraw/zinc/13/29/22/207132922.db2.gz TYZCIQKINSUXCF-MRXNPFEDSA-N 0 0 379.489 4.481 40 0 GIABRN O=C(NCC1(c2ccccc2Cl)CC1)C1(c2cccc(F)c2)CCOCC1 ZINC000019662165 207147159 /nfs/dbraw/zinc/14/71/59/207147159.db2.gz JKBQMISXMPGAQC-UHFFFAOYSA-N 0 0 387.882 4.375 40 0 GIABRN COc1ccc(-c2csc(NC(=O)c3cn4cccc(C)c4n3)n2)c(OC)c1 ZINC000019665467 207147173 /nfs/dbraw/zinc/14/71/73/207147173.db2.gz LJJGBVVNQJOPLP-UHFFFAOYSA-N 0 0 394.456 4.036 40 0 GIABRN Cc1cc(C)n([C@@H](C)C(=O)N2CCC(COc3ccc(Cl)cc3)CC2)n1 ZINC000019660613 207147470 /nfs/dbraw/zinc/14/74/70/207147470.db2.gz YMCIJVYNUXABKO-INIZCTEOSA-N 0 0 375.900 4.032 40 0 GIABRN O=C(Nc1nnc(C2CCCCC2)s1)C1(c2ccccc2F)CCOCC1 ZINC000019662202 207147758 /nfs/dbraw/zinc/14/77/58/207147758.db2.gz YDQCQVXKZJWFCV-UHFFFAOYSA-N 0 0 389.496 4.412 40 0 GIABRN CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 ZINC000019694040 207149324 /nfs/dbraw/zinc/14/93/24/207149324.db2.gz WJKQDCHDGGSWEA-SFHVURJKSA-N 0 0 396.510 4.245 40 0 GIABRN COCC(=O)N1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000019690262 207149329 /nfs/dbraw/zinc/14/93/29/207149329.db2.gz ZQIJMBBWAWQJJR-UHFFFAOYSA-N 0 0 392.421 4.044 40 0 GIABRN COc1cc(CNc2ncc(-c3ccncc3)c([C@@H]3CCCO3)n2)cc(OC)c1 ZINC000019595155 207143597 /nfs/dbraw/zinc/14/35/97/207143597.db2.gz ZZNIYYWOUYGCRZ-FQEVSTJZSA-N 0 0 392.459 4.019 40 0 GIABRN Cc1cc(C)n(C2CCN(Cc3cc(Cl)c4c(c3)OCCCO4)CC2)n1 ZINC000019658822 207146382 /nfs/dbraw/zinc/14/63/82/207146382.db2.gz DFNJPWZJMLHWFF-UHFFFAOYSA-N 0 0 375.900 4.152 40 0 GIABRN O=C(Nc1nc(-c2ccccn2)cs1)c1cc(-n2cccn2)ccc1Cl ZINC000019665021 207147124 /nfs/dbraw/zinc/14/71/24/207147124.db2.gz VCGIHOMXKCBTLL-UHFFFAOYSA-N 0 0 381.848 4.297 40 0 GIABRN O=C(c1ccccc1)N1CCC[C@@H]1c1cc(CCOc2cccc(F)c2)n[nH]1 ZINC000019703662 207150640 /nfs/dbraw/zinc/15/06/40/207150640.db2.gz HHPOSLVSTNLABE-OAQYLSRUSA-N 0 0 379.435 4.148 40 0 GIABRN CC(C)c1csc(NC(=O)c2cc(-c3cnn(C)c3)nc3ccccc32)n1 ZINC000019716398 207153469 /nfs/dbraw/zinc/15/34/69/207153469.db2.gz QCQPCXWSMULWLT-UHFFFAOYSA-N 0 0 377.473 4.468 40 0 GIABRN COc1ccc2[nH]c(C)c(C(=O)NCCc3cn(C)c4ccc(F)cc34)c2c1 ZINC000019717749 207153569 /nfs/dbraw/zinc/15/35/69/207153569.db2.gz ZMMVTHUZLHTULN-UHFFFAOYSA-N 0 0 379.435 4.088 40 0 GIABRN Cc1c([C@@H](C)NC(=O)c2cc(-c3ccccn3)nc3c(C)cccc23)cnn1C ZINC000019716681 207153621 /nfs/dbraw/zinc/15/36/21/207153621.db2.gz FQDCYELOJRILCK-OAHLLOKOSA-N 0 0 385.471 4.138 40 0 GIABRN Cc1c([C@H](C)NC(=O)c2cc(-c3cccnc3)nc3c(C)cccc23)cnn1C ZINC000019716689 207153695 /nfs/dbraw/zinc/15/36/95/207153695.db2.gz IRTYHQCCCLONSX-HNNXBMFYSA-N 0 0 385.471 4.138 40 0 GIABRN CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cccc(Cn4cccn4)c3)c2C1 ZINC000019715634 207153814 /nfs/dbraw/zinc/15/38/14/207153814.db2.gz SBUIMKZGUSYJPV-MRXNPFEDSA-N 0 0 378.476 4.323 40 0 GIABRN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)CCc1nc2ccccc2[nH]1 ZINC000019718007 207155646 /nfs/dbraw/zinc/15/56/46/207155646.db2.gz FBBUELWECWKENP-HNNXBMFYSA-N 0 0 375.476 4.304 40 0 GIABRN Cn1cnc2ccc(NC(=O)CC3CCN(C(=O)CC4CCCCC4)CC3)cc21 ZINC000019748336 207156824 /nfs/dbraw/zinc/15/68/24/207156824.db2.gz WFMPVLDEOQFBMA-UHFFFAOYSA-N 0 0 396.535 4.111 40 0 GIABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(Br)cc2)c(C)c1 ZINC000020029791 207174799 /nfs/dbraw/zinc/17/47/99/207174799.db2.gz KVSCWZCKNUGLFN-AWEZNQCLSA-N 0 0 382.323 4.414 40 0 GIABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c(Cl)c1 ZINC000020043823 207175618 /nfs/dbraw/zinc/17/56/18/207175618.db2.gz IDFGVWDBCGCNTQ-UHFFFAOYSA-N 0 0 389.860 4.471 40 0 GIABRN Cc1ccccc1O[C@H](C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020044195 207176036 /nfs/dbraw/zinc/17/60/36/207176036.db2.gz VCNCXSCXUKELCW-MRXNPFEDSA-N 0 0 392.421 4.130 40 0 GIABRN CC[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccc(OC)cc1 ZINC000020049069 207176041 /nfs/dbraw/zinc/17/60/41/207176041.db2.gz UUCFZTDNQVXURV-QGZVFWFLSA-N 0 0 398.322 4.028 40 0 GIABRN COc1ccc(S[C@H](C)C(=O)NCCSCc2ccccc2F)cc1 ZINC000020048880 207176099 /nfs/dbraw/zinc/17/60/99/207176099.db2.gz NUONKIVBOUQTIE-CQSZACIVSA-N 0 0 379.522 4.365 40 0 GIABRN COc1ccc(CCC(=O)NCCSCc2ccccc2Cl)cc1OC ZINC000020047627 207176134 /nfs/dbraw/zinc/17/61/34/207176134.db2.gz NVLRFGYWCISUSZ-UHFFFAOYSA-N 0 0 393.936 4.339 40 0 GIABRN Cc1ccc(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020047938 207176141 /nfs/dbraw/zinc/17/61/41/207176141.db2.gz OCIWXRMLDTZIIX-UHFFFAOYSA-N 0 0 384.523 4.471 40 0 GIABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)COc1ccc(OC)cc1 ZINC000020050490 207176159 /nfs/dbraw/zinc/17/61/59/207176159.db2.gz VVVLJGAOHNMIAM-KUHUBIRLSA-N 0 0 377.868 4.090 40 0 GIABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000020042968 207176452 /nfs/dbraw/zinc/17/64/52/207176452.db2.gz HSXAYZHHAWDFSO-NJTIBFSMSA-N 0 0 392.543 4.237 40 0 GIABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000020047285 207176552 /nfs/dbraw/zinc/17/65/52/207176552.db2.gz MCSXQHAQGXAGMG-UHFFFAOYSA-N 0 0 393.679 4.271 40 0 GIABRN CN(C(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)C1CCCC1 ZINC000020104191 207177542 /nfs/dbraw/zinc/17/75/42/207177542.db2.gz VPGZRCOJYBQUCW-NRFANRHFSA-N 0 0 384.501 4.068 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCC3)c(Cl)c2)cc1 ZINC000020110365 207178782 /nfs/dbraw/zinc/17/87/82/207178782.db2.gz GJWNRBZGVSKQGG-UHFFFAOYSA-N 0 0 392.908 4.122 40 0 GIABRN COc1ccc(OCc2nnc(SCC(=O)Nc3c(C)cccc3C)o2)cc1 ZINC000019929328 207171575 /nfs/dbraw/zinc/17/15/75/207171575.db2.gz OEWMQAUUMBVQSW-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN COc1ccc(CCC(=O)NCCSCc2cccc(Cl)c2)cc1OC ZINC000019932412 207172026 /nfs/dbraw/zinc/17/20/26/207172026.db2.gz SCQKJFZBXMVHMJ-UHFFFAOYSA-N 0 0 393.936 4.339 40 0 GIABRN CCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)c(C)nn2c1/C=C/N(C)C ZINC000019960777 207172540 /nfs/dbraw/zinc/17/25/40/207172540.db2.gz GOWAQMRJJMJCCF-ZHACJKMWSA-N 0 0 384.867 4.067 40 0 GIABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)c1 ZINC000020152179 207179949 /nfs/dbraw/zinc/17/99/49/207179949.db2.gz STMDINSXJUNUEM-UHFFFAOYSA-N 0 0 380.469 4.183 40 0 GIABRN COc1ccc(/C=C/C(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)cc1 ZINC000020145183 207180458 /nfs/dbraw/zinc/18/04/58/207180458.db2.gz MNQFMEUIWUHQEV-LFYBBSHMSA-N 0 0 379.412 4.108 40 0 GIABRN O=C(COc1ccccc1F)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 ZINC000020144617 207180507 /nfs/dbraw/zinc/18/05/07/207180507.db2.gz RTEKMLZHZJXHNN-UHFFFAOYSA-N 0 0 375.783 4.249 40 0 GIABRN CCCOc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)cc1 ZINC000020141745 207180726 /nfs/dbraw/zinc/18/07/26/207180726.db2.gz VLBVWQRMUJACKL-UHFFFAOYSA-N 0 0 381.428 4.489 40 0 GIABRN COc1ccccc1NC(=O)CSc1nnc(Cc2ccc(C)c(C)c2)o1 ZINC000020196887 207181256 /nfs/dbraw/zinc/18/12/56/207181256.db2.gz CTVVONWIMXEXLY-UHFFFAOYSA-N 0 0 383.473 4.017 40 0 GIABRN Cc1nccn1-c1ccccc1CNC(=O)[C@H](C)Oc1cc(C)cc(C)c1C ZINC000020495848 207199515 /nfs/dbraw/zinc/19/95/15/207199515.db2.gz IABMHGBDAFBYQO-SFHVURJKSA-N 0 0 377.488 4.190 40 0 GIABRN COc1ccc(CNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC ZINC000020489687 207197670 /nfs/dbraw/zinc/19/76/70/207197670.db2.gz VPPPQXODWKGUPE-AWEZNQCLSA-N 0 0 377.868 4.058 40 0 GIABRN CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc(OC)c1 ZINC000020485646 207197705 /nfs/dbraw/zinc/19/77/05/207197705.db2.gz NVXVLVNNZKZJKB-HXUWFJFHSA-N 0 0 384.476 4.021 40 0 GIABRN Cc1cc(OCC(=O)N(C)Cc2ccc(Cl)cc2)ccc1Br ZINC000020458858 207194392 /nfs/dbraw/zinc/19/43/92/207194392.db2.gz GIGDQDYPBSYRKT-UHFFFAOYSA-N 0 0 382.685 4.448 40 0 GIABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 ZINC000020453595 207194732 /nfs/dbraw/zinc/19/47/32/207194732.db2.gz DMVQCWXJKCDADD-KRWDZBQOSA-N 0 0 396.487 4.117 40 0 GIABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000020459495 207195087 /nfs/dbraw/zinc/19/50/87/207195087.db2.gz GTRPKRXKRXCYAL-DEOSSOPVSA-N 0 0 388.511 4.342 40 0 GIABRN CC[C@H](NC(=O)COc1ccc(Br)cc1)c1ccc(OC)cc1 ZINC000020481585 207196443 /nfs/dbraw/zinc/19/64/43/207196443.db2.gz TZQRQTGWTXOGER-KRWDZBQOSA-N 0 0 378.266 4.104 40 0 GIABRN COc1ccc(CN(C)C(=O)CSCc2c(F)cccc2Cl)cc1OC ZINC000020489121 207197221 /nfs/dbraw/zinc/19/72/21/207197221.db2.gz SSTPAWDRBOBQHO-UHFFFAOYSA-N 0 0 397.899 4.388 40 0 GIABRN COc1cccc(O[C@H](C)C(=O)NCCSCc2c(F)cccc2Cl)c1 ZINC000020491003 207197281 /nfs/dbraw/zinc/19/72/81/207197281.db2.gz UIPBDKXYKBPGHD-CYBMUJFWSA-N 0 0 397.899 4.305 40 0 GIABRN COc1ccc2nc(Nc3nc(-c4ccccc4Cl)cc(=O)[nH]3)nc(C)c2c1 ZINC000020633990 207208345 /nfs/dbraw/zinc/20/83/45/207208345.db2.gz LEKTXZSLCQSCSB-UHFFFAOYSA-N 0 0 393.834 4.094 40 0 GIABRN COc1ccc([C@@H]2Cc3c(c(C)nn3-c3ccc(C)cc3)C(=O)C2)c(OC)c1 ZINC000020633038 207208717 /nfs/dbraw/zinc/20/87/17/207208717.db2.gz RSZUQYAGEXEYGK-MRXNPFEDSA-N 0 0 376.456 4.419 40 0 GIABRN CC(C)Oc1ccc(CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000020492652 207199867 /nfs/dbraw/zinc/19/98/67/207199867.db2.gz QGTYBPVZQLXHBP-UHFFFAOYSA-N 0 0 388.316 4.400 40 0 GIABRN COc1ccc(-n2nc3ccc(NC(=O)c4cccc(F)c4)cc3n2)cc1Cl ZINC000020610717 207206946 /nfs/dbraw/zinc/20/69/46/207206946.db2.gz KDZFZYKRHZVFGH-UHFFFAOYSA-N 0 0 396.809 4.474 40 0 GIABRN CCCc1nnc2sc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)nn12 ZINC000020609726 207207393 /nfs/dbraw/zinc/20/73/93/207207393.db2.gz SUPSVWNILYBHOG-UHFFFAOYSA-N 0 0 381.436 4.197 40 0 GIABRN Cc1cc(C)cc(C(=O)Nc2ccc(N3CCOCC3)c(Br)c2)c1 ZINC000020611468 207208088 /nfs/dbraw/zinc/20/80/88/207208088.db2.gz RTXZYWCUHVLWLI-UHFFFAOYSA-N 0 0 389.293 4.155 40 0 GIABRN CSc1ccc([C@H](C)NC(=O)c2cn3c4c(cccc4c2=O)CCC3)cc1 ZINC000022235590 207249308 /nfs/dbraw/zinc/24/93/08/207249308.db2.gz FMCPMTOYZIZROS-AWEZNQCLSA-N 0 0 378.497 4.161 40 0 GIABRN CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccccc1C(F)(F)F)cn2C ZINC000022237228 207249313 /nfs/dbraw/zinc/24/93/13/207249313.db2.gz ZOXYASKDLWVLIX-UHFFFAOYSA-N 0 0 390.361 4.208 40 0 GIABRN CCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236651 207249732 /nfs/dbraw/zinc/24/97/32/207249732.db2.gz RTNKTOONWKEJTK-UHFFFAOYSA-N 0 0 380.410 4.493 40 0 GIABRN CCc1ccccc1O[C@H](C)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000022521822 207255357 /nfs/dbraw/zinc/25/53/57/207255357.db2.gz JVGBTKXLYRUMTL-CYBMUJFWSA-N 0 0 387.501 4.382 40 0 GIABRN Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2cccc(-c3nnco3)c2)s1 ZINC000024740550 207294088 /nfs/dbraw/zinc/29/40/88/207294088.db2.gz XGTNUYFJRQRJKR-UHFFFAOYSA-N 0 0 394.431 4.489 40 0 GIABRN COc1cccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)c1 ZINC000028527805 207344190 /nfs/dbraw/zinc/34/41/90/207344190.db2.gz ARMJHCMGENBNFI-UHFFFAOYSA-N 0 0 391.475 4.252 40 0 GIABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000030754060 207373406 /nfs/dbraw/zinc/37/34/06/207373406.db2.gz DKDQEYMTEDQMAW-HWWNHIDJSA-N 0 0 398.934 4.355 40 0 GIABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000030869000 207378004 /nfs/dbraw/zinc/37/80/04/207378004.db2.gz UXWOZSFMRXLLTR-HXUWFJFHSA-N 0 0 380.488 4.336 40 0 GIABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000030869907 207378595 /nfs/dbraw/zinc/37/85/95/207378595.db2.gz RCJFIQPVYGHDKJ-FQEVSTJZSA-N 0 0 386.923 4.463 40 0 GIABRN Cc1cccc(CNC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)c1 ZINC000031108528 207379855 /nfs/dbraw/zinc/37/98/55/207379855.db2.gz NTLNSPZVZFPNIE-UHFFFAOYSA-N 0 0 394.496 4.034 40 0 GIABRN COc1cccc([C@@H]2c3cc4c(cc3O[C@H](N3CCCC3)[C@H]2C)OCO4)c1OC ZINC000031860791 207386009 /nfs/dbraw/zinc/38/60/09/207386009.db2.gz GWPIAAOPZQZVTR-RUGFAHKUSA-N 0 0 397.471 4.015 40 0 GIABRN O=C(NC(=S)N(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000032126892 207393976 /nfs/dbraw/zinc/39/39/76/207393976.db2.gz QICJNTHLUVIMPV-UHFFFAOYSA-N 0 0 376.437 4.268 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)CSCc2ccc(OC)cc2)c(Cl)c1 ZINC000044839666 207639240 /nfs/dbraw/zinc/63/92/40/207639240.db2.gz LZFGPYSCXOBQAD-UHFFFAOYSA-N 0 0 393.892 4.397 40 0 GIABRN CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 ZINC000225147893 532998709 /nfs/dbraw/zinc/99/87/09/532998709.db2.gz UEGDGSWRWUEWAQ-UHFFFAOYSA-N 0 0 394.543 4.167 40 0 GIABRN O=C(Cc1ccncc1)N1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072357924 208000850 /nfs/dbraw/zinc/00/08/50/208000850.db2.gz UUSILRZEHNNMJV-QFIPXVFZSA-N 0 0 375.447 4.113 40 0 GIABRN O=C(c1cccc2ncccc21)N1CCC[C@@H]1c1ccc(Nc2cnccn2)cn1 ZINC000072353076 208001042 /nfs/dbraw/zinc/00/10/42/208001042.db2.gz QHBQAFAIEYQNKZ-OAQYLSRUSA-N 0 0 396.454 4.141 40 0 GIABRN Cc1nc2cc(C(=O)N3CCC[C@@H]3c3ccnc(-c4ccccc4)n3)ccc2[nH]1 ZINC000072354374 208001404 /nfs/dbraw/zinc/00/14/04/208001404.db2.gz UELLDZLPGWKZOC-OAQYLSRUSA-N 0 0 383.455 4.306 40 0 GIABRN CC(C)(O)C(=O)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358174 208002715 /nfs/dbraw/zinc/00/27/15/208002715.db2.gz TXIJRVYMHHIKJV-GOSISDBHSA-N 0 0 392.421 4.126 40 0 GIABRN Cc1ncsc1C(=O)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1 ZINC000072359029 208003068 /nfs/dbraw/zinc/00/30/68/208003068.db2.gz OFQVQENNAOEAEF-AWEZNQCLSA-N 0 0 382.464 4.067 40 0 GIABRN O=C(COc1ccccc1)N1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 ZINC000072358668 208003329 /nfs/dbraw/zinc/00/33/29/208003329.db2.gz ZPKBZPUGHAUFSK-QGZVFWFLSA-N 0 0 391.446 4.068 40 0 GIABRN O=C(Cc1ccccc1)N1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072358632 208004263 /nfs/dbraw/zinc/00/42/63/208004263.db2.gz CYUJWINHRBWTNE-LJQANCHMSA-N 0 0 375.447 4.231 40 0 GIABRN Cc1cc(N2CC[C@@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)nc(C)n1 ZINC000072371418 208004784 /nfs/dbraw/zinc/00/47/84/208004784.db2.gz CCIHUOWDBZHZTH-MRXNPFEDSA-N 0 0 397.910 4.085 40 0 GIABRN O=C(c1ccccc1)N1CCC[C@H]1c1cc(CCOc2ccccc2F)n[nH]1 ZINC000072378310 208008267 /nfs/dbraw/zinc/00/82/67/208008267.db2.gz TZKXFRAKUDECFT-FQEVSTJZSA-N 0 0 379.435 4.148 40 0 GIABRN CCn1cc(CN2CCC[C@H]2c2cccc(Nc3ncc(C)s3)n2)c(C)n1 ZINC000072375416 208008999 /nfs/dbraw/zinc/00/89/99/208008999.db2.gz WTSWGZZFODQMRZ-SFHVURJKSA-N 0 0 382.537 4.452 40 0 GIABRN O=C(c1csc2ccccc12)N1CCC[C@H](c2nnc(-c3ccccn3)o2)C1 ZINC000072390013 208011057 /nfs/dbraw/zinc/01/10/57/208011057.db2.gz UTLYFTFEFZSCJL-AWEZNQCLSA-N 0 0 390.468 4.366 40 0 GIABRN O=C(c1ccncc1)N1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1 ZINC000072383770 208011754 /nfs/dbraw/zinc/01/17/54/208011754.db2.gz PFRORRYPYZVNDP-SFHVURJKSA-N 0 0 380.835 4.295 40 0 GIABRN CCc1nccn1-c1cccc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 ZINC000072378962 208012673 /nfs/dbraw/zinc/01/26/73/208012673.db2.gz JKZRBKZAEHGONY-FQEVSTJZSA-N 0 0 388.515 4.169 40 0 GIABRN Cn1cc(-c2ccncc2)c([C@H]2CCCCN2C(=O)Cc2cccc(Cl)c2)n1 ZINC000072390622 208012948 /nfs/dbraw/zinc/01/29/48/208012948.db2.gz HVOOAPWWIWMVPC-HXUWFJFHSA-N 0 0 394.906 4.432 40 0 GIABRN Cc1ccc(C(=O)N2CCC[C@H]2c2cncc(Oc3ccc(F)cc3)n2)cn1 ZINC000072384108 208013062 /nfs/dbraw/zinc/01/30/62/208013062.db2.gz WCWHSIURQUGXBT-IBGZPJMESA-N 0 0 378.407 4.089 40 0 GIABRN CC1(C)Cc2c(cnn2Cc2ccccc2)[C@H](NC(=O)Cc2ccsc2)C1 ZINC000072396222 208014392 /nfs/dbraw/zinc/01/43/92/208014392.db2.gz LSDFBCGHNIGBHD-LJQANCHMSA-N 0 0 379.529 4.365 40 0 GIABRN CCCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1OCCC ZINC000072414201 208019466 /nfs/dbraw/zinc/01/94/66/208019466.db2.gz VJDLGRXXWXUYLD-UHFFFAOYSA-N 0 0 375.490 4.016 40 0 GIABRN CCc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)cc1 ZINC000085409711 208099836 /nfs/dbraw/zinc/09/98/36/208099836.db2.gz SCAJUJUWMGJUDL-SFHVURJKSA-N 0 0 385.920 4.334 40 0 GIABRN O=C(NCc1cccs1)c1cc2c(s1)CCN2C(=O)c1ccc(F)cc1 ZINC000096146804 208274295 /nfs/dbraw/zinc/27/42/95/208274295.db2.gz DBSZJPPOUFDCPH-UHFFFAOYSA-N 0 0 386.473 4.082 40 0 GIABRN CC(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4cccs4)cc3)CC2)C1 ZINC000096156892 208277931 /nfs/dbraw/zinc/27/79/31/208277931.db2.gz UFSBGCAYZLXNMD-UHFFFAOYSA-N 0 0 382.529 4.280 40 0 GIABRN CCCCN(CC)C(=O)c1cc2c(c3ccccc3n2C)n1-c1ncccn1 ZINC000096037293 208255137 /nfs/dbraw/zinc/25/51/37/208255137.db2.gz IJJMLIXTWVHTBO-UHFFFAOYSA-N 0 0 375.476 4.174 40 0 GIABRN CCc1ccc(NC(=O)N2CC[C@]3(C[C@@H]3C(=O)Nc3cccc(F)c3)C2)cc1 ZINC000096227282 208288276 /nfs/dbraw/zinc/28/82/76/208288276.db2.gz PHKHEVZUJWLCIN-KNQAVFIVSA-N 0 0 381.451 4.271 40 0 GIABRN CC(C)(C)CC(=O)N1CCC2(C[C@@H](CC(=O)N3CCCC3)c3ccccc32)CC1 ZINC000096242124 208293608 /nfs/dbraw/zinc/29/36/08/208293608.db2.gz NQSKVLAXODIWJV-LJQANCHMSA-N 0 0 396.575 4.483 40 0 GIABRN CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)C3CCCCC3)CC2)c2ccccc21 ZINC000096242069 208294110 /nfs/dbraw/zinc/29/41/10/208294110.db2.gz FVINKBALNRQRIN-LJQANCHMSA-N 0 0 382.548 4.093 40 0 GIABRN COc1cccc(-c2ccc3c([C@H]4CCCN4Cc4cc(C)on4)nnn3c2)c1 ZINC000096267926 208301196 /nfs/dbraw/zinc/30/11/96/208301196.db2.gz HVUMUMCWLUKVRV-HXUWFJFHSA-N 0 0 389.459 4.038 40 0 GIABRN CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C3CC3)CC2)n1 ZINC000100738876 208379684 /nfs/dbraw/zinc/37/96/84/208379684.db2.gz RCOAELAFBINILL-MAEOIBBWSA-N 0 0 378.520 4.462 40 0 GIABRN CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=S)Nc2ccccc2)cc1 ZINC000100857981 208383303 /nfs/dbraw/zinc/38/33/03/208383303.db2.gz HOGJMKBPLOOWGV-GOSISDBHSA-N 0 0 383.542 4.318 40 0 GIABRN O=C(Cc1ccccc1)NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1 ZINC000100156366 208373684 /nfs/dbraw/zinc/37/36/84/208373684.db2.gz WUTWVUDDPIPLIP-CALCHBBNSA-N 0 0 381.501 4.431 40 0 GIABRN CCn1ccc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccc(C)s4)o3)CC2)n1 ZINC000100156429 208374862 /nfs/dbraw/zinc/37/48/62/208374862.db2.gz OIGAXGUETMOUNH-GASCZTMLSA-N 0 0 399.520 4.027 40 0 GIABRN COc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccccc4C)C3)n2)c1 ZINC000001360488 208496196 /nfs/dbraw/zinc/49/61/96/208496196.db2.gz SRDSCWKFCVUJSU-KRWDZBQOSA-N 0 0 377.444 4.073 40 0 GIABRN COc1ccc(-c2noc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)cc1 ZINC000001362709 208496446 /nfs/dbraw/zinc/49/64/46/208496446.db2.gz UMWGVLOTCIHTLO-LJQANCHMSA-N 0 0 391.471 4.084 40 0 GIABRN CCCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccncc1 ZINC000000796401 208480519 /nfs/dbraw/zinc/48/05/19/208480519.db2.gz ISHNMAXGIJMYGH-UHFFFAOYSA-N 0 0 387.896 4.134 40 0 GIABRN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc3c(n2)[nH]c2ccccc23)cc1C ZINC000000863266 208482875 /nfs/dbraw/zinc/48/28/75/208482875.db2.gz WAFBVQSMSJTMNA-CYBMUJFWSA-N 0 0 377.473 4.242 40 0 GIABRN Cc1cc(C)c2cc(C)c3nnc(SCC(=O)N4CCC[C@@H](C)C4)n3c2c1 ZINC000000877191 208484484 /nfs/dbraw/zinc/48/44/84/208484484.db2.gz MVPMXMDRKHTKNP-CYBMUJFWSA-N 0 0 382.533 4.158 40 0 GIABRN Cc1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1Cc1ccccc1 ZINC000000899806 208485640 /nfs/dbraw/zinc/48/56/40/208485640.db2.gz CPMVDBMDFUQUDS-UHFFFAOYSA-N 0 0 386.908 4.327 40 0 GIABRN COc1ccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)o2)cc1OC ZINC000000917122 208487358 /nfs/dbraw/zinc/48/73/58/208487358.db2.gz RMBGFWNLZOAYBR-UHFFFAOYSA-N 0 0 390.848 4.382 40 0 GIABRN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1cccc(F)c1 ZINC000001364573 208495280 /nfs/dbraw/zinc/49/52/80/208495280.db2.gz SZADSQGXILTKLL-UHFFFAOYSA-N 0 0 382.464 4.074 40 0 GIABRN Cc1ccc2c(c1)cc(CN(C(=O)c1ccccc1C)C1CCCC1)c1nnnn12 ZINC000001376884 208497679 /nfs/dbraw/zinc/49/76/79/208497679.db2.gz GPMOGCWZSHKEKL-UHFFFAOYSA-N 0 0 399.498 4.479 40 0 GIABRN CC(C)(C)CC(=O)Nc1nnc(SCC(=O)Nc2ccc(Cl)cc2)s1 ZINC000001381700 208497935 /nfs/dbraw/zinc/49/79/35/208497935.db2.gz GHJFPRGEXKGBME-UHFFFAOYSA-N 0 0 398.941 4.297 40 0 GIABRN Cc1cccc(CN2C[C@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@H]3C2)c1 ZINC000306136218 209103881 /nfs/dbraw/zinc/10/38/81/209103881.db2.gz PNATYWRVLOVYEE-UGKGYDQZSA-N 0 0 379.481 4.010 40 0 GIABRN CCCCn1c(SCC(=O)N2[C@H](C)CCC[C@@H]2C)nnc1-c1ccncc1 ZINC000004161377 208537213 /nfs/dbraw/zinc/53/72/13/208537213.db2.gz SLEKEFMOSPJOSV-IYBDPMFKSA-N 0 0 387.553 4.022 40 0 GIABRN CCCCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1cccnc1 ZINC000004161408 208537387 /nfs/dbraw/zinc/53/73/87/208537387.db2.gz QUMHATKVQUKWKI-UHFFFAOYSA-N 0 0 395.532 4.488 40 0 GIABRN CCCCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccco1 ZINC000004861133 208546603 /nfs/dbraw/zinc/54/66/03/208546603.db2.gz MKZNYFYHRVRNIP-UHFFFAOYSA-N 0 0 386.477 4.078 40 0 GIABRN C[C@H]1Cc2cc(-c3csc(NC(=O)c4ccco4)n3)ccc2N1C(=O)C1CC1 ZINC000004893562 208546820 /nfs/dbraw/zinc/54/68/20/208546820.db2.gz GQESTTMQNOCEBG-LBPRGKRZSA-N 0 0 393.468 4.343 40 0 GIABRN O=C(NC1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1)c1ccco1 ZINC000005002099 208547268 /nfs/dbraw/zinc/54/72/68/208547268.db2.gz ZKPFQYBARSYBRL-UHFFFAOYSA-N 0 0 387.892 4.455 40 0 GIABRN CSc1nc2sc(C(=O)NC3CCCCC3)cc2c(N2CCCCC2)n1 ZINC000408622488 533081876 /nfs/dbraw/zinc/08/18/76/533081876.db2.gz QQZBCTRPTAIWQT-UHFFFAOYSA-N 0 0 390.578 4.466 40 0 GIABRN COc1ccc(-c2csc(NC(=O)c3cccc(C)c3OC)n2)cc1OC ZINC000005015833 208664510 /nfs/dbraw/zinc/66/45/10/208664510.db2.gz LBPKJBHOPISRGU-UHFFFAOYSA-N 0 0 384.457 4.397 40 0 GIABRN CC(C)Cn1cnc2c1C1(CCN(C(=O)c3ccoc3)CC1)Oc1ccccc1-2 ZINC000306135462 209103259 /nfs/dbraw/zinc/10/32/59/209103259.db2.gz ORMVXKSLHQHRHB-UHFFFAOYSA-N 0 0 391.471 4.323 40 0 GIABRN CC(=O)OCC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000118934744 208801748 /nfs/dbraw/zinc/80/17/48/208801748.db2.gz LGXCVDCRXUSHST-HZTLOPOYSA-N 0 0 390.520 4.073 40 0 GIABRN CSc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000020029867 208808411 /nfs/dbraw/zinc/80/84/11/208808411.db2.gz VHNKILFRTJNXMX-LLVKDONJSA-N 0 0 386.336 4.211 40 0 GIABRN CC[C@H](Oc1cccc(C)c1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000219319502 208844379 /nfs/dbraw/zinc/84/43/79/208844379.db2.gz KZGUZVHTDUVXCF-IBGZPJMESA-N 0 0 379.460 4.169 40 0 GIABRN CCc1ccccc1O[C@@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219295403 208844870 /nfs/dbraw/zinc/84/48/70/208844870.db2.gz RITPATXEJSDZSO-KXBFYZLASA-N 0 0 383.488 4.444 40 0 GIABRN COc1ccc(CCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1OC ZINC000219281834 208844892 /nfs/dbraw/zinc/84/48/92/208844892.db2.gz RRBKZSMJZHRLFW-SFHVURJKSA-N 0 0 383.488 4.363 40 0 GIABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000219328369 208845599 /nfs/dbraw/zinc/84/55/99/208845599.db2.gz NJCHRSRSGJWUCV-ZWKOTPCHSA-N 0 0 375.440 4.268 40 0 GIABRN O=C(c1cccc2c1OCCO2)N1CCS[C@H](c2cc(F)ccc2F)CC1 ZINC000219329597 208845609 /nfs/dbraw/zinc/84/56/09/208845609.db2.gz VXPRPGVPAABYDY-SFHVURJKSA-N 0 0 391.439 4.056 40 0 GIABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000219334269 208846737 /nfs/dbraw/zinc/84/67/37/208846737.db2.gz MUURRMYUSHRQLY-IBGZPJMESA-N 0 0 379.460 4.169 40 0 GIABRN Cc1cc(OCC(=O)NCCSCc2ccco2)cc(C)c1Br ZINC000218835176 208839087 /nfs/dbraw/zinc/83/90/87/208839087.db2.gz OPHVWGXOYDCNKB-UHFFFAOYSA-N 0 0 398.322 4.087 40 0 GIABRN CC[C@H](C(=O)Nc1c(C)cccc1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220558205 208862720 /nfs/dbraw/zinc/86/27/20/208862720.db2.gz ZLBBCJZJUVKVGT-LJQANCHMSA-N 0 0 388.533 4.104 40 0 GIABRN CCOc1ccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1OCC ZINC000222618638 208879865 /nfs/dbraw/zinc/87/98/65/208879865.db2.gz KFFAFBSKVCVVGC-KRWDZBQOSA-N 0 0 397.515 4.447 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222472250 208876987 /nfs/dbraw/zinc/87/69/87/208876987.db2.gz GTZYTMYKXFLRKY-LJQANCHMSA-N 0 0 394.559 4.388 40 0 GIABRN CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(Cl)cc1O ZINC000222590480 208877532 /nfs/dbraw/zinc/87/75/32/208877532.db2.gz POXDYZYAWZCDCW-FJNPEDAXSA-N 0 0 389.908 4.429 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)ccc1C ZINC000222983185 208889767 /nfs/dbraw/zinc/88/97/67/208889767.db2.gz NFBHHTGXPZYHMN-HXUWFJFHSA-N 0 0 396.531 4.016 40 0 GIABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 ZINC000223032478 208891607 /nfs/dbraw/zinc/89/16/07/208891607.db2.gz WGNPJCIVCLFVEJ-VQTJNVASSA-N 0 0 384.549 4.007 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)CSCc3ccc(C)cc3)s2)cc1 ZINC000223114450 208893369 /nfs/dbraw/zinc/89/33/69/208893369.db2.gz LFJRJTFKVKRASU-UHFFFAOYSA-N 0 0 385.514 4.394 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 ZINC000223224975 208895629 /nfs/dbraw/zinc/89/56/29/208895629.db2.gz DPHHNDDBZQBAJN-NRFANRHFSA-N 0 0 380.532 4.260 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 ZINC000222687076 208881235 /nfs/dbraw/zinc/88/12/35/208881235.db2.gz HVZMUODAKVKQOK-AWEZNQCLSA-N 0 0 393.314 4.089 40 0 GIABRN CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000222730112 208883071 /nfs/dbraw/zinc/88/30/71/208883071.db2.gz YJBCOJAVLRKLMT-QZTJIDSGSA-N 0 0 386.883 4.267 40 0 GIABRN O=S(=O)(NCc1ccc2ccccc2c1)c1ccc(Br)cc1 ZINC000222772103 208883958 /nfs/dbraw/zinc/88/39/58/208883958.db2.gz DNHSPXCVHDZLFK-UHFFFAOYSA-N 0 0 376.275 4.081 40 0 GIABRN CCc1cc(S(=O)(=O)Nc2ccc(Br)c(C)c2)ccc1OC ZINC000223680174 208908345 /nfs/dbraw/zinc/90/83/45/208908345.db2.gz CYMDQJSKVUUFQF-UHFFFAOYSA-N 0 0 384.295 4.129 40 0 GIABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)[nH]c2C)cc1 ZINC000223410426 208903005 /nfs/dbraw/zinc/90/30/05/208903005.db2.gz RUGQFCYESKAUOI-SFTDATJTSA-N 0 0 392.528 4.208 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000223505973 208904062 /nfs/dbraw/zinc/90/40/62/208904062.db2.gz KATXQCSQRTTZKL-GOSISDBHSA-N 0 0 384.545 4.031 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 ZINC000223606156 208905513 /nfs/dbraw/zinc/90/55/13/208905513.db2.gz GXMXCVGTNBZVNB-NRFANRHFSA-N 0 0 384.495 4.092 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224129636 208919185 /nfs/dbraw/zinc/91/91/85/208919185.db2.gz XULVKPHUMKXHIO-NRFANRHFSA-N 0 0 394.559 4.426 40 0 GIABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000224146968 208919849 /nfs/dbraw/zinc/91/98/49/208919849.db2.gz LBLFNZMMELAIKW-HSZRJFAPSA-N 0 0 392.543 4.404 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl ZINC000224223546 208921081 /nfs/dbraw/zinc/92/10/81/208921081.db2.gz UTRNIVZSHFRCPS-HXUWFJFHSA-N 0 0 386.923 4.134 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 ZINC000224727655 208932483 /nfs/dbraw/zinc/93/24/83/208932483.db2.gz XJKCTYXNTNBHSV-FQEVSTJZSA-N 0 0 380.532 4.180 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)[C@H](C)SCc3ccccc3)s2)cc1 ZINC000224893730 208935843 /nfs/dbraw/zinc/93/58/43/208935843.db2.gz BINIOWCLWYORMT-ZDUSSCGKSA-N 0 0 385.514 4.474 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSc1ccccc1 ZINC000224974499 208938763 /nfs/dbraw/zinc/93/87/63/208938763.db2.gz GDFPULZAMUWDIT-QZTJIDSGSA-N 0 0 384.545 4.111 40 0 GIABRN Cn1c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2sc1=O ZINC000225047534 208939975 /nfs/dbraw/zinc/93/99/75/208939975.db2.gz HDEZTQCPIUTKOU-UHFFFAOYSA-N 0 0 390.464 4.431 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000225091034 208941112 /nfs/dbraw/zinc/94/11/12/208941112.db2.gz AHTQBFSJBCGMHY-HXUWFJFHSA-N 0 0 386.923 4.216 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225534380 208958275 /nfs/dbraw/zinc/95/82/75/208958275.db2.gz SDTFKMFWQRAJRU-KRWDZBQOSA-N 0 0 386.923 4.133 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 ZINC000225134560 208942739 /nfs/dbraw/zinc/94/27/39/208942739.db2.gz IKLPMUIBZVQVGP-IRXDYDNUSA-N 0 0 386.923 4.215 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C ZINC000225132270 208943203 /nfs/dbraw/zinc/94/32/03/208943203.db2.gz CXENIQVTQUCCHO-UXHICEINSA-N 0 0 380.532 4.178 40 0 GIABRN O=C(CSCc1c(Cl)cccc1Cl)NC[C@H]1COc2ccccc2O1 ZINC000225238361 208945270 /nfs/dbraw/zinc/94/52/70/208945270.db2.gz ISQRVNQUWLWCAW-LBPRGKRZSA-N 0 0 398.311 4.183 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1)C(=O)COc1ccccc1C ZINC000225457771 208952914 /nfs/dbraw/zinc/95/29/14/208952914.db2.gz PAHCFRVJYQAQSV-PZJWPPBQSA-N 0 0 396.531 4.096 40 0 GIABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSc1ccccc1 ZINC000225454573 208953633 /nfs/dbraw/zinc/95/36/33/208953633.db2.gz DDOWPYODCFEZBJ-GOSISDBHSA-N 0 0 384.545 4.111 40 0 GIABRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=S)Nc1ccc(F)cc1 ZINC000225460938 208953799 /nfs/dbraw/zinc/95/37/99/208953799.db2.gz VQGVFXJQGFVSAA-UHFFFAOYSA-N 0 0 376.844 4.358 40 0 GIABRN Cc1cc(OCC(=O)NC(C)(C)Cc2ccccc2)ccc1Br ZINC000225482299 208955110 /nfs/dbraw/zinc/95/51/10/208955110.db2.gz INCUYRALEGEEOL-UHFFFAOYSA-N 0 0 376.294 4.274 40 0 GIABRN CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225492664 208955153 /nfs/dbraw/zinc/95/51/53/208955153.db2.gz GWBVTDMAJBZOMO-HXUWFJFHSA-N 0 0 394.559 4.432 40 0 GIABRN COc1cccc(-c2noc(CNC(=O)c3cc(C(C)C)c(OC)cc3C)n2)c1 ZINC000225669898 208966063 /nfs/dbraw/zinc/96/60/63/208966063.db2.gz MAJPMBDFCMJYIQ-UHFFFAOYSA-N 0 0 395.459 4.116 40 0 GIABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(C(=O)N(C)C)cc1 ZINC000225680125 208966924 /nfs/dbraw/zinc/96/69/24/208966924.db2.gz JWUXVUXABISPGQ-SFHVURJKSA-N 0 0 397.544 4.286 40 0 GIABRN COC(=O)c1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 ZINC000225679099 208967949 /nfs/dbraw/zinc/96/79/49/208967949.db2.gz NSUHNLCJNNYFSZ-QGZVFWFLSA-N 0 0 384.501 4.370 40 0 GIABRN Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1C ZINC000225791178 208976248 /nfs/dbraw/zinc/97/62/48/208976248.db2.gz XPQLFAMPQJWRLF-KRWDZBQOSA-N 0 0 397.544 4.184 40 0 GIABRN CCOC(=O)c1cc(NC(=O)C2(OC)CCC(C)CC2)ccc1OC(C)C ZINC000225810684 208978244 /nfs/dbraw/zinc/97/82/44/208978244.db2.gz RWMRFQKFIFEOHD-UHFFFAOYSA-N 0 0 377.481 4.184 40 0 GIABRN Cc1cccc(-c2noc(CNC(=S)Nc3ccc(OC(C)C)cc3)n2)c1 ZINC000225815293 208978699 /nfs/dbraw/zinc/97/86/99/208978699.db2.gz MREDBQVWPUEBMV-UHFFFAOYSA-N 0 0 382.489 4.319 40 0 GIABRN O=C(Nc1ccc(Cl)cc1)N1CCC2(CC1)CC(=O)c1ccc(O)cc1O2 ZINC000225819526 208979312 /nfs/dbraw/zinc/97/93/12/208979312.db2.gz BHZGDYNPPGDMIS-UHFFFAOYSA-N 0 0 386.835 4.078 40 0 GIABRN CCOc1ccccc1NC(=S)NCc1nc(-c2ccccc2Cl)no1 ZINC000225818692 208979546 /nfs/dbraw/zinc/97/95/46/208979546.db2.gz KCUOPFIKDWZJLU-UHFFFAOYSA-N 0 0 388.880 4.275 40 0 GIABRN CCOCCOc1ncc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C ZINC000225885218 208982004 /nfs/dbraw/zinc/98/20/04/208982004.db2.gz ABCITQXPOVYHPY-UHFFFAOYSA-N 0 0 380.529 4.221 40 0 GIABRN COc1ccc(-c2nc(NC(=O)c3ccccc3OC)sc2C)c(OC)c1 ZINC000408834455 533194445 /nfs/dbraw/zinc/19/44/45/533194445.db2.gz UZSWTXBAMQOUJI-UHFFFAOYSA-N 0 0 384.457 4.397 40 0 GIABRN COC(C)(C)C(=O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257200538 209052730 /nfs/dbraw/zinc/05/27/30/209052730.db2.gz ADSSPKGRSLMIHZ-OAHLLOKOSA-N 0 0 376.884 4.050 40 0 GIABRN COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4Cl)OCC[C@]13C2 ZINC000257259185 209061789 /nfs/dbraw/zinc/06/17/89/209061789.db2.gz KXFMAEFBJJTKOH-LBZIOLLISA-N 0 0 391.939 4.375 40 0 GIABRN O=C(CCCc1ccncc1)NCc1cccc(-c2n[nH]cc2-c2ccncc2)c1 ZINC000257207718 209055688 /nfs/dbraw/zinc/05/56/88/209055688.db2.gz BIXXSJUKDCJFPX-UHFFFAOYSA-N 0 0 397.482 4.173 40 0 GIABRN CC(C)n1nccc1C(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257205741 209056069 /nfs/dbraw/zinc/05/60/69/209056069.db2.gz BAKKCPBUAXTLPQ-GOSISDBHSA-N 0 0 382.439 4.159 40 0 GIABRN O=C(c1ccc(=O)[nH]c1)N1CCCC[C@H]1c1ccc(Cc2ccc(F)cc2)nc1 ZINC000257252078 209058886 /nfs/dbraw/zinc/05/88/86/209058886.db2.gz JTLHGSIJJAQOTQ-NRFANRHFSA-N 0 0 391.446 4.280 40 0 GIABRN Cc1ncsc1C(=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257247107 209059218 /nfs/dbraw/zinc/05/92/18/209059218.db2.gz IXMYZLAHAKFULF-OAHLLOKOSA-N 0 0 385.464 4.189 40 0 GIABRN Cc1ccnc([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)n1 ZINC000257252695 209059750 /nfs/dbraw/zinc/05/97/50/209059750.db2.gz JVTLAGZDUJLODK-MRXNPFEDSA-N 0 0 377.444 4.123 40 0 GIABRN O=C([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](Cc3cnccn3)C2)cc1 ZINC000257249431 209060424 /nfs/dbraw/zinc/06/04/24/209060424.db2.gz JIHONCYJASVYRC-IBGZPJMESA-N 0 0 387.483 4.297 40 0 GIABRN CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3cc(C)cs3)CCO2)n1 ZINC000257252133 209060689 /nfs/dbraw/zinc/06/06/89/209060689.db2.gz JTRAPEGBPFRTMK-SFHVURJKSA-N 0 0 397.500 4.191 40 0 GIABRN CNc1cncc([C@H]2CCC[N@@H+]2Cc2ccc(-c3ccccc3C(=O)[O-])cc2)n1 ZINC000257245561 209060729 /nfs/dbraw/zinc/06/07/29/209060729.db2.gz IQCGBWSJXUNHAL-OAQYLSRUSA-N 0 0 388.471 4.221 40 0 GIABRN O=C(c1ccccn1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257257139 209062626 /nfs/dbraw/zinc/06/26/26/209062626.db2.gz KOFLAYVWEBWCFM-INIZCTEOSA-N 0 0 381.863 4.334 40 0 GIABRN Cc1ncsc1C(=O)N1CCCC[C@@H]1c1cc(C)nc(-c2c(C)noc2C)n1 ZINC000257270218 209064901 /nfs/dbraw/zinc/06/49/01/209064901.db2.gz MTFPWUXGYOGVGH-MRXNPFEDSA-N 0 0 397.504 4.189 40 0 GIABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1ccccc1 ZINC000222628141 533234726 /nfs/dbraw/zinc/23/47/26/533234726.db2.gz HCRKUPDYFHNRHV-SFHVURJKSA-N 0 0 398.572 4.252 40 0 GIABRN COc1cccc([C@H]2C[C@@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)c1OC(F)F ZINC000257277756 209066878 /nfs/dbraw/zinc/06/68/78/209066878.db2.gz NZFMCUXCBQLRHV-UMGDAMFDSA-N 0 0 397.462 4.458 40 0 GIABRN Cc1noc(C)c1-c1cc([C@@H]2CCCN2C(=O)c2c(F)cccc2F)nc(C)n1 ZINC000257289864 209068049 /nfs/dbraw/zinc/06/80/49/209068049.db2.gz QANAWIVFLVOCNP-SFHVURJKSA-N 0 0 398.413 4.312 40 0 GIABRN COc1cc(C)ccc1CN1CCO[C@@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257294119 209068518 /nfs/dbraw/zinc/06/85/18/209068518.db2.gz QSOUVFCZLKDFCI-OAQYLSRUSA-N 0 0 390.487 4.111 40 0 GIABRN Cn1ccnc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257289102 209068857 /nfs/dbraw/zinc/06/88/57/209068857.db2.gz PWZFPGSOZWYOCE-QGZVFWFLSA-N 0 0 384.867 4.020 40 0 GIABRN COCCC(=O)N[C@]1(C)C[C@H](c2c(F)cccc2F)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257289185 209069446 /nfs/dbraw/zinc/06/94/46/209069446.db2.gz PXJLKUJNMWAZAY-QHFMHODHSA-N 0 0 381.463 4.142 40 0 GIABRN CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4)OCC[C@]3(C2)[C@H]1NC(=O)c1cncs1 ZINC000257293228 209069641 /nfs/dbraw/zinc/06/96/41/209069641.db2.gz QOPZBIHWSJKNBC-WBNVOKHJSA-N 0 0 382.529 4.456 40 0 GIABRN CCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OC)c4O)OCC[C@]13C2 ZINC000257294366 209069689 /nfs/dbraw/zinc/06/96/89/209069689.db2.gz QTUGDYXDFWLKBT-YKRPYPKWSA-N 0 0 387.520 4.200 40 0 GIABRN Clc1ccccc1CN1CCO[C@@H](c2cc(CCOc3ccccc3)n[nH]2)C1 ZINC000257297591 209070448 /nfs/dbraw/zinc/07/04/48/209070448.db2.gz RHZAYTTWAYKQGJ-JOCHJYFZSA-N 0 0 397.906 4.258 40 0 GIABRN C[C@@H](NC(=O)c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1C ZINC000409340014 533301932 /nfs/dbraw/zinc/30/19/32/533301932.db2.gz ORDDUECUBPBRNP-CYBMUJFWSA-N 0 0 386.908 4.252 40 0 GIABRN COc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)OCC(C)C)C1=O ZINC000409213608 533339884 /nfs/dbraw/zinc/33/98/84/533339884.db2.gz UNHRTVLJZPWGNV-VCHYOVAHSA-N 0 0 399.468 4.084 40 0 GIABRN COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)c1 ZINC000408628765 533404664 /nfs/dbraw/zinc/40/46/64/533404664.db2.gz XFTDIOSGJOHJLL-OAHLLOKOSA-N 0 0 383.517 4.201 40 0 GIABRN COc1c(Cl)cc(Cl)cc1CNn1c(=S)[nH]nc1-c1ccncc1 ZINC000008469578 533423701 /nfs/dbraw/zinc/42/37/01/533423701.db2.gz JIRZFNCOWUGJSS-UHFFFAOYSA-N 0 0 382.276 4.062 40 0 GIABRN COc1ccc(CC(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 ZINC000408714135 533435584 /nfs/dbraw/zinc/43/55/84/533435584.db2.gz JNWXUEUNQSBGGN-UHFFFAOYSA-N 0 0 393.487 4.244 40 0 GIABRN Cc1ccc(-n2cnc3[nH]c(N4CCC(C)CC4)nc(=O)c3c2=S)c(C)c1 ZINC000040385722 132403788 /nfs/dbraw/zinc/40/37/88/132403788.db2.gz OWBKHRVVVRBYFY-UHFFFAOYSA-N 0 0 381.505 4.104 40 0 GIABRN CC(=O)N1CCCc2cc(C(=O)CN3CC=C(c4ccc(F)cc4)CC3)ccc21 ZINC000057822676 136154016 /nfs/dbraw/zinc/15/40/16/136154016.db2.gz NYMRGVXVNKUVKT-UHFFFAOYSA-N 0 0 392.474 4.097 40 0 GIABRN O=C(COc1cccc(C(F)(F)F)c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000104727437 136191252 /nfs/dbraw/zinc/19/12/52/136191252.db2.gz YSMSRRIUFVUFRF-UHFFFAOYSA-N 0 0 398.812 4.086 40 0 GIABRN O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)NC1CCCCCCC1 ZINC000219152315 136204185 /nfs/dbraw/zinc/20/41/85/136204185.db2.gz GOOSWFZOJNEWQW-UHFFFAOYSA-N 0 0 398.528 4.091 40 0 GIABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000223467487 136205769 /nfs/dbraw/zinc/20/57/69/136205769.db2.gz YJVPHLBQLKGVQR-KRWDZBQOSA-N 0 0 398.934 4.335 40 0 GIABRN O=C(Cc1cccc(Cl)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000223539925 136205774 /nfs/dbraw/zinc/20/57/74/136205774.db2.gz KZENCDFXPOZSHT-UHFFFAOYSA-N 0 0 382.813 4.250 40 0 GIABRN Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc3c(c2)CCCC3)CC1 ZINC000224005578 136206195 /nfs/dbraw/zinc/20/61/95/136206195.db2.gz JSWXWTNGYMAOIS-UHFFFAOYSA-N 0 0 398.934 4.255 40 0 GIABRN Cc1cccc(N2CCN(C(=O)[C@H](C)Oc3cccc4c3CCCC4)CC2)c1C ZINC000224629230 136207135 /nfs/dbraw/zinc/20/71/35/136207135.db2.gz CDISZJDNIGKTKH-FQEVSTJZSA-N 0 0 392.543 4.298 40 0 GIABRN COCCC(=O)N[C@@]1(C)C[C@H](c2ccc(C)cc2OC)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257307825 209073365 /nfs/dbraw/zinc/07/33/65/209073365.db2.gz TUHLEWPWTJIYSE-GPZGYZMESA-N 0 0 389.536 4.181 40 0 GIABRN O=C(c1cccc(=O)[nH]1)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257321472 209074356 /nfs/dbraw/zinc/07/43/56/209074356.db2.gz WBVJPWCZGIQIGI-OAHLLOKOSA-N 0 0 397.862 4.039 40 0 GIABRN Cc1cc(C(=O)N2CCC3(CC2)CO[C@@H]2c4ccccc4OC(C)(C)[C@H]2C3)on1 ZINC000257321139 209074654 /nfs/dbraw/zinc/07/46/54/209074654.db2.gz WAFLAUJWAGFRGN-FXAWDEMLSA-N 0 0 396.487 4.154 40 0 GIABRN COc1ccc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)cn1 ZINC000257331652 209076036 /nfs/dbraw/zinc/07/60/36/209076036.db2.gz XTSGNVLGFLTZSV-SFHVURJKSA-N 0 0 397.862 4.300 40 0 GIABRN C[C@]1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)c2cncs2)C1 ZINC000257328648 209075768 /nfs/dbraw/zinc/07/57/68/209075768.db2.gz XGOOSBGNHAHJFA-FQEVSTJZSA-N 0 0 385.464 4.055 40 0 GIABRN CC(C)(C)c1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)[nH]n1 ZINC000257331167 209076263 /nfs/dbraw/zinc/07/62/63/209076263.db2.gz XRRNUHGCLWVHNW-GOSISDBHSA-N 0 0 396.466 4.402 40 0 GIABRN CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2CC2)CC1 ZINC000257326721 209077247 /nfs/dbraw/zinc/07/72/47/209077247.db2.gz WYINLOQEKXSRJM-UHFFFAOYSA-N 0 0 390.527 4.051 40 0 GIABRN CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)C(C)C)CC1 ZINC000257333145 209078236 /nfs/dbraw/zinc/07/82/36/209078236.db2.gz YAISCZUEVHQYGI-UHFFFAOYSA-N 0 0 398.572 4.359 40 0 GIABRN O=C([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)c1 ZINC000257341923 209079160 /nfs/dbraw/zinc/07/91/60/209079160.db2.gz ZMLOGTHWNWDLKG-LJQANCHMSA-N 0 0 394.446 4.482 40 0 GIABRN Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCCN2C(=O)c2cnccn2)n1 ZINC000257337025 209079195 /nfs/dbraw/zinc/07/91/95/209079195.db2.gz YRAVZOCPAHSANT-OAQYLSRUSA-N 0 0 376.435 4.354 40 0 GIABRN CCCC(=O)Nc1nc2cc(Br)c(N)c(Br)c2s1 ZINC000020134497 209081452 /nfs/dbraw/zinc/08/14/52/209081452.db2.gz SYDDSGBHBULADL-UHFFFAOYSA-N 0 0 393.104 4.142 40 0 GIABRN Cc1ccc(C)c(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c1 ZINC000408702866 533681273 /nfs/dbraw/zinc/68/12/73/533681273.db2.gz ITVGSFSLAUNUJK-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN CCC(=O)N1CCC(Cc2ccccc2-c2ccccc2C)(C(=O)N(C)C)CC1 ZINC000072345138 222232916 /nfs/dbraw/zinc/23/29/16/222232916.db2.gz ZEYBLWFZRUNMSM-UHFFFAOYSA-N 0 0 392.543 4.312 40 0 GIABRN COc1ccc2c(c1)NC1(CCN(C(=O)[C@H]3CC=CCC3)CC1)c1cccn1-2 ZINC000072346493 222233062 /nfs/dbraw/zinc/23/30/62/222233062.db2.gz BLQAATVUROFTGF-KRWDZBQOSA-N 0 0 377.488 4.085 40 0 GIABRN O=C(Cc1cccnc1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072349397 222236102 /nfs/dbraw/zinc/23/61/02/222236102.db2.gz MICBZKHSTGLWNB-FQEVSTJZSA-N 0 0 389.474 4.155 40 0 GIABRN Cn1ccc(C(=O)N2CCC[C@H](c3cccc(-c4cccc(Cl)c4)n3)C2)n1 ZINC000072349917 222236471 /nfs/dbraw/zinc/23/64/71/222236471.db2.gz LJEKCHDSZJWFLO-INIZCTEOSA-N 0 0 380.879 4.155 40 0 GIABRN O=C(c1cnccn1)N1CCC(c2cccc(Cc3ccccc3Cl)n2)CC1 ZINC000072349222 222236497 /nfs/dbraw/zinc/23/64/97/222236497.db2.gz HGLAUENADZPRCL-UHFFFAOYSA-N 0 0 392.890 4.136 40 0 GIABRN O=C(Cc1ccncc1)N1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000072349425 222236525 /nfs/dbraw/zinc/23/65/25/222236525.db2.gz GNXDWJXRTUFJIV-IBGZPJMESA-N 0 0 375.447 4.231 40 0 GIABRN COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)Cc3ccncc3)C2)n1 ZINC000072349427 222236638 /nfs/dbraw/zinc/23/66/38/222236638.db2.gz GUEKRKPERXQIGM-IBGZPJMESA-N 0 0 387.483 4.101 40 0 GIABRN COCC(=O)N1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000072349276 222236697 /nfs/dbraw/zinc/23/66/97/222236697.db2.gz YWAAOGNOUYPDCE-UHFFFAOYSA-N 0 0 392.421 4.044 40 0 GIABRN Cn1nccc1C(=O)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072350041 222236734 /nfs/dbraw/zinc/23/67/34/222236734.db2.gz XUBMIKJKESYGIS-INIZCTEOSA-N 0 0 380.879 4.155 40 0 GIABRN COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)Cc3ccccn3)C2)n1 ZINC000072349466 222236764 /nfs/dbraw/zinc/23/67/64/222236764.db2.gz GKYJLBJRDDNQLU-GOSISDBHSA-N 0 0 387.483 4.101 40 0 GIABRN O=C(Cc1ccccn1)N1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000072349465 222236779 /nfs/dbraw/zinc/23/67/79/222236779.db2.gz YCCJGCUSQBXBJE-GOSISDBHSA-N 0 0 375.447 4.231 40 0 GIABRN Cn1ccc(C(=O)N2CCC(c3cccc(Cc4ccc(Cl)cc4)n3)CC2)n1 ZINC000072349926 222236864 /nfs/dbraw/zinc/23/68/64/222236864.db2.gz OTSCNYUVEVMPCI-UHFFFAOYSA-N 0 0 394.906 4.079 40 0 GIABRN c1ccc2c(c1)N[C@@H]([C@@H]1O[C@H]3CCCN3[C@@H]1[C@H]1Nc3ccccc3S1)S2 ZINC000073351361 222271454 /nfs/dbraw/zinc/27/14/54/222271454.db2.gz SKSITQFSDMBHNB-UHZRXMQZSA-N 0 0 383.542 4.264 40 0 GIABRN Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2)cc1C ZINC000408668804 534190002 /nfs/dbraw/zinc/19/00/02/534190002.db2.gz FHRPMHMANGMZQJ-LVXYXVKQSA-N 0 0 390.483 4.481 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1C(=O)NC(C)C ZINC000408590444 534211773 /nfs/dbraw/zinc/21/17/73/534211773.db2.gz GVMLOZVDOSNYCO-UHFFFAOYSA-N 0 0 388.533 4.366 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1C(=O)N1CCCCC1 ZINC000408620948 534211857 /nfs/dbraw/zinc/21/18/57/534211857.db2.gz KMVDUPTYJOWIKL-UHFFFAOYSA-N 0 0 386.517 4.039 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1C(=O)N1CCCC1 ZINC000408597930 534212926 /nfs/dbraw/zinc/21/29/26/534212926.db2.gz WPYCJTJSINIFHZ-UHFFFAOYSA-N 0 0 386.517 4.155 40 0 GIABRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccccc3)o2)C1=O ZINC000409087648 534226511 /nfs/dbraw/zinc/22/65/11/534226511.db2.gz JGLWFALMUBONAI-ZTMOJVSCSA-N 0 0 389.454 4.029 40 0 GIABRN Cc1cccc(-c2nc(C(=O)OCC(=O)c3ccccc3)nn2-c2ccccc2)c1 ZINC000408698122 534555528 /nfs/dbraw/zinc/55/55/28/534555528.db2.gz NVIJRBCZHUVQIH-UHFFFAOYSA-N 0 0 397.434 4.282 40 0 GIABRN O=C(Oc1ccc(Cc2ccccc2)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000408659234 534567152 /nfs/dbraw/zinc/56/71/52/534567152.db2.gz KGGQVZRLILUDAB-JOCHJYFZSA-N 0 0 385.463 4.232 40 0 GIABRN Cn1c(=O)sc2cc(NC(=O)/C(=C/c3ccco3)c3ccccc3)ccc21 ZINC000225022292 534674358 /nfs/dbraw/zinc/67/43/58/534674358.db2.gz DOKPRYXUFWRYCL-GHRIWEEISA-N 0 0 376.437 4.372 40 0 GIABRN Cn1c(=O)sc2cc(NC(=O)CCSc3ccc(Cl)cc3)ccc21 ZINC000225021965 534675025 /nfs/dbraw/zinc/67/50/25/534675025.db2.gz UBOMVNQWYQHEIT-UHFFFAOYSA-N 0 0 378.906 4.374 40 0 GIABRN COc1ccc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)cc1Cl ZINC000020142276 523753287 /nfs/dbraw/zinc/75/32/87/523753287.db2.gz ILJUXOOFKSLNMV-UHFFFAOYSA-N 0 0 387.819 4.362 40 0 GIABRN CO[C@@H]1OC(=O)C[C@@H]1[C@@H]1CC=C2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000263595075 523777934 /nfs/dbraw/zinc/77/79/34/523777934.db2.gz DEBBTVTZUZYYQY-LOJUBRRFSA-N 0 0 388.548 4.462 40 0 GIABRN Cc1cccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)c1C ZINC000408671844 534746080 /nfs/dbraw/zinc/74/60/80/534746080.db2.gz LNKRJFXKOCAHGM-JSNMRZPZSA-N 0 0 390.483 4.481 40 0 GIABRN O=C1S[C@H](Cc2cc3c(cc2Cl)OCO3)C(=O)N1Cc1ccc(F)cc1 ZINC000409142155 534824443 /nfs/dbraw/zinc/82/44/43/534824443.db2.gz RKZGYEFNFGKJGJ-MRXNPFEDSA-N 0 0 393.823 4.015 40 0 GIABRN O=C1S/C(=C\c2ccc(O)cc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000106724226 534824935 /nfs/dbraw/zinc/82/49/35/534824935.db2.gz XGIQASONWPTXCP-DHDCSXOGSA-N 0 0 390.258 4.391 40 0 GIABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCCCCC2)ccc1C ZINC000409412076 534826030 /nfs/dbraw/zinc/82/60/30/534826030.db2.gz QUZJRFHTQHGTQE-UHFFFAOYSA-N 0 0 386.517 4.120 40 0 GIABRN CC(C)(C)NC(=O)Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 ZINC000409136213 526320448 /nfs/dbraw/zinc/32/04/48/526320448.db2.gz RRCKYNXUTVYULY-UHFFFAOYSA-N 0 0 394.456 4.017 40 0 GIABRN CC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1ccc(F)cc1)N2 ZINC000409107403 526647628 /nfs/dbraw/zinc/64/76/28/526647628.db2.gz PLACRXLHCJYTPY-IAISJRAMSA-N 0 0 386.389 4.351 40 0 GIABRN CC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1ccc(F)cc1)N2 ZINC000409107405 526648248 /nfs/dbraw/zinc/64/82/48/526648248.db2.gz PLACRXLHCJYTPY-RVZJWNSFSA-N 0 0 386.389 4.351 40 0 GIABRN CC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)Cc1ccccc1)N2 ZINC000409106176 526648519 /nfs/dbraw/zinc/64/85/19/526648519.db2.gz MJRZCUDYEGXCHF-CLCXKQKWSA-N 0 0 382.426 4.141 40 0 GIABRN CCC1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000408709548 527846790 /nfs/dbraw/zinc/84/67/90/527846790.db2.gz TXBRBPURKXSMCC-UHFFFAOYSA-N 0 0 376.806 4.382 40 0 GIABRN CCCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000408628012 527920110 /nfs/dbraw/zinc/92/01/10/527920110.db2.gz PKSQTYBQVIIEQE-UHFFFAOYSA-N 0 0 381.457 4.298 40 0 GIABRN CCN(CC)C(=O)C(=O)c1cn(CCOc2ccc(C)c(C)c2)c2ccccc12 ZINC000014136056 527984264 /nfs/dbraw/zinc/98/42/64/527984264.db2.gz YYQOMYKBHXJYMN-UHFFFAOYSA-N 0 0 392.499 4.388 40 0 GIABRN CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000408583727 528050088 /nfs/dbraw/zinc/05/00/88/528050088.db2.gz JIYOMOIANHRSKD-UHFFFAOYSA-N 0 0 397.500 4.418 40 0 GIABRN CCCCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)COc2cc(C)cc(C)c2)N1 ZINC000408948711 528113953 /nfs/dbraw/zinc/11/39/53/528113953.db2.gz DFJAVURDTOYGKT-GOSISDBHSA-N 0 0 386.414 4.102 40 0 GIABRN CC(C)c1ccc(NC(=O)[C@H]2CSCN2C(=O)OCc2ccccc2)cc1 ZINC000408738666 528115370 /nfs/dbraw/zinc/11/53/70/528115370.db2.gz UKMMFYJNVIWODC-LJQANCHMSA-N 0 0 384.501 4.460 40 0 GIABRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccccc1F ZINC000408820776 528197389 /nfs/dbraw/zinc/19/73/89/528197389.db2.gz YOEFVYVFTNVDPH-WQRHYEAKSA-N 0 0 387.432 4.470 40 0 GIABRN CC(C)Oc1ccc(NC(=O)c2ccc(I)cc2)cc1 ZINC000042270704 528197851 /nfs/dbraw/zinc/19/78/51/528197851.db2.gz QMGCKNOBTYKNCD-UHFFFAOYSA-N 0 0 381.213 4.331 40 0 GIABRN CCOC(=O)c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccc(C(=O)OC)cc1)N2 ZINC000409189967 528245272 /nfs/dbraw/zinc/24/52/72/528245272.db2.gz OPWVURFOBYJLDC-JRGCBEDISA-N 0 0 395.455 4.284 40 0 GIABRN CCOc1cc(Cl)c(/C=C2/SC(=O)N(CCCOC)C2=O)cc1OCC ZINC000409252560 528288004 /nfs/dbraw/zinc/28/80/04/528288004.db2.gz SQVPXRPRPSLTKT-MHWRWJLKSA-N 0 0 399.896 4.210 40 0 GIABRN CCC(=O)N1CCN(c2ccccc2NC(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000408628817 528331380 /nfs/dbraw/zinc/33/13/80/528331380.db2.gz BJLJQWBVUHXTOW-FMIVXFBMSA-N 0 0 397.906 4.051 40 0 GIABRN CCOc1ccc(Br)cc1/C=C1\NC(=O)N(C2CCCCC2)C1=O ZINC000409088900 528375608 /nfs/dbraw/zinc/37/56/08/528375608.db2.gz HMXQUNAWGRRWHR-PTNGSMBKSA-N 0 0 393.281 4.073 40 0 GIABRN CCCNC(=O)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 ZINC000408978558 528419494 /nfs/dbraw/zinc/41/94/94/528419494.db2.gz MTGXGNJPDBUHDY-UHFFFAOYSA-N 0 0 384.443 4.285 40 0 GIABRN CCCCN1C(=O)S/C(=C\c2cn(CC(=O)OCC)c3ccccc23)C1=O ZINC000409138866 528450868 /nfs/dbraw/zinc/45/08/68/528450868.db2.gz JBARQAJZBHXJNV-BOPFTXTBSA-N 0 0 386.473 4.041 40 0 GIABRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(C)C)C1=O ZINC000408603478 528560816 /nfs/dbraw/zinc/56/08/16/528560816.db2.gz RDODOIAMUHSSIS-GZTJUZNOSA-N 0 0 391.489 4.101 40 0 GIABRN CCOc1cccc(C(=O)NC(=S)Nc2nc3c(cc(C)cc3C)s2)c1 ZINC000408628744 528629757 /nfs/dbraw/zinc/62/97/57/528629757.db2.gz WVMFZBRRNHDCEU-UHFFFAOYSA-N 0 0 385.514 4.439 40 0 GIABRN CCCc1sc(NC(=O)c2ccncc2)nc1-c1ccc(OC)c(OC)c1 ZINC000408836005 528807769 /nfs/dbraw/zinc/80/77/69/528807769.db2.gz PCQCRACBVUJIJQ-UHFFFAOYSA-N 0 0 383.473 4.427 40 0 GIABRN CCOC(=O)N[C@@H](CC(=O)Nc1nc2ccc(C)cc2s1)c1ccccc1 ZINC000408979582 529091028 /nfs/dbraw/zinc/09/10/28/529091028.db2.gz NAAUBFPERODCRH-INIZCTEOSA-N 0 0 383.473 4.421 40 0 GIABRN CCOC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000408554454 529111718 /nfs/dbraw/zinc/11/17/18/529111718.db2.gz SBFWSPUJUUMFPV-UHFFFAOYSA-N 0 0 376.478 4.488 40 0 GIABRN CC[C@@H](C)N1C(=O)S/C(=C\c2cc3c(cc2Br)OCO3)C1=O ZINC000409015780 529349914 /nfs/dbraw/zinc/34/99/14/529349914.db2.gz BEEYHCZNVYYOFG-PGSWQMMVSA-N 0 0 384.251 4.013 40 0 GIABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000222986277 535817746 /nfs/dbraw/zinc/81/77/46/535817746.db2.gz HZCKGXBNFWETOX-OAQYLSRUSA-N 0 0 386.923 4.463 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2ccccc2)CC1 ZINC000222790289 535817885 /nfs/dbraw/zinc/81/78/85/535817885.db2.gz ZYVQPTABMWAVJS-HSZRJFAPSA-N 0 0 378.516 4.072 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=O)C2CCN(c3ccc(C)cc3)CC2)c1 ZINC000219857987 536712479 /nfs/dbraw/zinc/71/24/79/536712479.db2.gz DXFIAMFAACIKDG-UHFFFAOYSA-N 0 0 386.879 4.290 40 0 GIABRN O=C([O-])C[C@@H]1CC[N@H+](CCCc2ccccc2)C[C@@H]1Cc1nc2ccccc2[nH]1 ZINC000514289500 560032676 /nfs/dbraw/zinc/03/26/76/560032676.db2.gz MRSWWSHLDFMGHJ-PMACEKPBSA-N 0 0 391.515 4.151 40 0 biogenic,in-vitro GIABRN COc1ccccc1NC(=O)N1CC[C@H](c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000049170992 560084545 /nfs/dbraw/zinc/08/45/45/560084545.db2.gz ZMWXDEXZDDDFOO-INIZCTEOSA-N 0 0 378.432 4.075 40 0 biogenic,in-vitro GIABRN Cc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3Cc3cccs3)n2)cc1 ZINC000015675560 560095014 /nfs/dbraw/zinc/09/50/14/560095014.db2.gz RGYUJQCVNDCNHJ-SFHVURJKSA-N 0 0 377.473 4.129 40 0 biogenic,in-vitro GIABRN CC[C@@H](C)Nc1nc(Nc2ccccc2Br)cc(-c2ccccn2)n1 ZINC000328970691 570210118 /nfs/dbraw/zinc/21/01/18/570210118.db2.gz DLCKGGKKJTVKCS-CYBMUJFWSA-N 0 0 398.308 4.099 40 0 GIABRN CCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000329011483 570212224 /nfs/dbraw/zinc/21/22/24/570212224.db2.gz MFGBGCLCRUTWJV-UHFFFAOYSA-N 0 0 393.800 4.230 40 0 GIABRN C[C@H](CO)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccc2)n1 ZINC000329021730 570213342 /nfs/dbraw/zinc/21/33/42/570213342.db2.gz OIAIGRXDPHJZKU-MRXNPFEDSA-N 0 0 376.504 4.399 40 0 GIABRN COC(=O)c1ccc(Nc2cc(-c3ccncc3)nc(NC(C)(C)C)n2)cc1 ZINC000329043144 570214867 /nfs/dbraw/zinc/21/48/67/570214867.db2.gz SRVVHOKYJCVHKW-UHFFFAOYSA-N 0 0 377.448 4.279 40 0 GIABRN Cc1nc([C@H]2CCCCN2Cc2ccc(F)cc2)ncc1C(=O)N1CCCCC1 ZINC000019765734 570217097 /nfs/dbraw/zinc/21/70/97/570217097.db2.gz GQGVXAILSFKCEO-OAQYLSRUSA-N 0 0 396.510 4.277 40 0 GIABRN Cc1ccc2c(c1)NC(=O)[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)O2 ZINC000005069887 570217531 /nfs/dbraw/zinc/21/75/31/570217531.db2.gz NXYNELZWCLMNAO-HNNXBMFYSA-N 0 0 398.768 4.396 40 0 GIABRN CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)CC3CCCC3)CCO2)n1 ZINC000585261334 570228119 /nfs/dbraw/zinc/22/81/19/570228119.db2.gz HHHCMLUEDQEEQF-HXUWFJFHSA-N 0 0 383.492 4.088 40 0 GIABRN COc1ccccc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000005187190 570250243 /nfs/dbraw/zinc/25/02/43/570250243.db2.gz FCVJRMAZHSGPJA-RRPUWOKSSA-N 0 0 383.463 4.343 40 0 GIABRN O=C(Nc1ccccc1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000020612055 570280832 /nfs/dbraw/zinc/28/08/32/570280832.db2.gz JPIABPIUJBBMNV-UHFFFAOYSA-N 0 0 377.271 4.484 40 0 GIABRN COc1cccc(C(NC(=O)N2CC[C@@H](C)O[C@@H](C)C2)c2cccc(OC)c2)c1 ZINC000664310667 570283702 /nfs/dbraw/zinc/28/37/02/570283702.db2.gz NQFBVSYTHDQKIA-SJORKVTESA-N 0 0 398.503 4.002 40 0 GIABRN Cc1nnc2n1-c1sc(Br)cc1C(c1ccccc1Cl)=NC2 ZINC000002570830 570291187 /nfs/dbraw/zinc/29/11/87/570291187.db2.gz UMSGKTJDUHERQW-UHFFFAOYSA-N 0 0 393.697 4.404 40 0 world GIABRN COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2cccc(C)c2)o1 ZINC000216036517 570295045 /nfs/dbraw/zinc/29/50/45/570295045.db2.gz DARWXWUDHGZRDD-UHFFFAOYSA-N 0 0 389.864 4.438 40 0 GIABRN CN(CC(=O)Nc1ccc(Cl)c(Br)c1)C(=O)Oc1ccccc1 ZINC000001094456 570295382 /nfs/dbraw/zinc/29/53/82/570295382.db2.gz WBVLDQVVCQECOK-UHFFFAOYSA-N 0 0 397.656 4.172 40 0 GIABRN COc1ccccc1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001962559 570297718 /nfs/dbraw/zinc/29/77/18/570297718.db2.gz LHDXEYPQOIDSTE-UHFFFAOYSA-N 0 0 387.741 4.163 40 0 GIABRN CCOC(=O)c1cc(NC(=O)COc2cc(C)cc(C)c2C)ccc1Cl ZINC000216273127 570297979 /nfs/dbraw/zinc/29/79/79/570297979.db2.gz MQAXDDAUQXWSGT-UHFFFAOYSA-N 0 0 375.852 4.459 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1Cl ZINC000216345018 570299376 /nfs/dbraw/zinc/29/93/76/570299376.db2.gz CGJKCILMPDUSCQ-UHFFFAOYSA-N 0 0 382.243 4.496 40 0 GIABRN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/C=C/c1ccccc1 ZINC000003014013 570299586 /nfs/dbraw/zinc/29/95/86/570299586.db2.gz KFKQPKQYDZRJAO-BCWABTKWSA-N 0 0 397.478 4.363 40 0 GIABRN COc1ccc(SCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000216378587 570300023 /nfs/dbraw/zinc/30/00/23/570300023.db2.gz SOLVTKWGEVMPPL-UHFFFAOYSA-N 0 0 398.528 4.489 40 0 GIABRN O=C(CSc1nnc(COc2ccccc2Cl)o1)Nc1ccccc1F ZINC000003364866 570300065 /nfs/dbraw/zinc/30/00/65/570300065.db2.gz YXBJHSPNHVUDII-UHFFFAOYSA-N 0 0 393.827 4.172 40 0 GIABRN COc1ccc([C@H](C)NC(=O)COc2ccc(Br)c(C)c2)cc1 ZINC000216400636 570300893 /nfs/dbraw/zinc/30/08/93/570300893.db2.gz DXQRALZOAAMVIW-ZDUSSCGKSA-N 0 0 378.266 4.022 40 0 GIABRN C[C@@H]1CCCN(C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)C1 ZINC000216421449 570301303 /nfs/dbraw/zinc/30/13/03/570301303.db2.gz MWVUOEAYVQWFSG-CQSZACIVSA-N 0 0 392.908 4.013 40 0 GIABRN Cc1cccc(OCC(=O)Nc2cc(NC(=O)c3ccco3)ccc2C)c1C ZINC000021595703 570306939 /nfs/dbraw/zinc/30/69/39/570306939.db2.gz GVBQDTFMXPRNFU-UHFFFAOYSA-N 0 0 378.428 4.475 40 0 GIABRN CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072214445 570314559 /nfs/dbraw/zinc/31/45/59/570314559.db2.gz FOILFWRDDLXQAT-SFHVURJKSA-N 0 0 381.476 4.430 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N3CCCCCC3)nc2)cc1 ZINC000072216652 570317408 /nfs/dbraw/zinc/31/74/08/570317408.db2.gz RWGIUUWKZFWEQC-NRFANRHFSA-N 0 0 399.560 4.296 40 0 GIABRN Cc1ccccc1NC(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000113965942 570337320 /nfs/dbraw/zinc/33/73/20/570337320.db2.gz LPLHZMWNSVVIHD-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN Cc1cccc(CCCNC(=O)COc2ccc(Br)c(C)c2)c1 ZINC000218826188 570341711 /nfs/dbraw/zinc/34/17/11/570341711.db2.gz WSIJHPJQQPVKBW-UHFFFAOYSA-N 0 0 376.294 4.194 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccccc1Cl ZINC000218850777 570342079 /nfs/dbraw/zinc/34/20/79/570342079.db2.gz UDOBFQJJOZJKLD-INIZCTEOSA-N 0 0 375.852 4.146 40 0 GIABRN COC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1ccc(C)cc1)CCC2 ZINC000408576001 570342622 /nfs/dbraw/zinc/34/26/22/570342622.db2.gz QBVWZJBBIJXMGZ-LBPRGKRZSA-N 0 0 375.515 4.451 40 0 GIABRN CCOc1ccccc1CCCNC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000218923041 570343864 /nfs/dbraw/zinc/34/38/64/570343864.db2.gz NRWFZBQDLNZYAJ-UHFFFAOYSA-N 0 0 375.896 4.483 40 0 GIABRN COc1ccc2nc3sc(C(=O)Nc4cccc(C(C)=O)c4)c(N)c3cc2c1 ZINC000004848793 570346909 /nfs/dbraw/zinc/34/69/09/570346909.db2.gz LDYKSYPXUOJPNA-UHFFFAOYSA-N 0 0 391.452 4.495 40 0 GIABRN COc1ccc(CCCNC(=O)[C@@H](C)Oc2cccc3ccccc32)cc1OC ZINC000219044016 570347032 /nfs/dbraw/zinc/34/70/32/570347032.db2.gz FCHVIEMGKQQRRV-QGZVFWFLSA-N 0 0 393.483 4.373 40 0 GIABRN Cc1ccc(C)c(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1 ZINC000219077743 570347593 /nfs/dbraw/zinc/34/75/93/570347593.db2.gz DZHZWKLLNVIIMX-OAHLLOKOSA-N 0 0 399.878 4.433 40 0 GIABRN CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccc(C)c(C)c1 ZINC000219286839 570351077 /nfs/dbraw/zinc/35/10/77/570351077.db2.gz WLDRJIGAWWYZQP-SFHVURJKSA-N 0 0 394.924 4.209 40 0 GIABRN CCc1ccccc1O[C@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219295375 570351697 /nfs/dbraw/zinc/35/16/97/570351697.db2.gz RITPATXEJSDZSO-DNVCBOLYSA-N 0 0 383.488 4.444 40 0 GIABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 ZINC000219329570 570355076 /nfs/dbraw/zinc/35/50/76/570355076.db2.gz NNKWXDRJARFWKM-HNNXBMFYSA-N 0 0 389.452 4.143 40 0 GIABRN CC(C)/N=C1\S/C(=C/c2ccc(O)c(Br)c2)C(=O)N1C(C)C ZINC000006324867 570356467 /nfs/dbraw/zinc/35/64/67/570356467.db2.gz AIKLJKSFHAAKSG-QWTILCQQSA-N 0 0 383.311 4.244 40 0 GIABRN Cc1ccccc1N1Oc2c(O)n(-c3ccccc3)c(O)c2[C@@H]1c1cccs1 ZINC000004070856 570356635 /nfs/dbraw/zinc/35/66/35/570356635.db2.gz UQSLDWANSFMYCX-HSALFYBXSA-N 0 0 390.464 4.108 40 0 GIABRN CC[C@H](NC(=O)[C@H](CC)Oc1cccc(OC)c1)c1ccc(OC)c(OC)c1 ZINC000219361514 570356924 /nfs/dbraw/zinc/35/69/24/570356924.db2.gz POFGFFDDLQYOKQ-OALUTQOASA-N 0 0 387.476 4.137 40 0 GIABRN CC1=C(C(=O)O[C@H]2CCC[C@@H](C)C2)[C@@H](c2ccccc2Cl)NC(=O)N1C ZINC000004109005 570357693 /nfs/dbraw/zinc/35/76/93/570357693.db2.gz AHRWKYDRIZUOFZ-UVBSCNOISA-N 0 0 376.884 4.432 40 0 GIABRN COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000057315674 570360417 /nfs/dbraw/zinc/36/04/17/570360417.db2.gz WPUGKLSEZQECPP-UHFFFAOYSA-N 0 0 385.272 4.137 40 0 GIABRN COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000219498031 570364548 /nfs/dbraw/zinc/36/45/48/570364548.db2.gz TWHOUVMNIMJSDV-MRXNPFEDSA-N 0 0 375.424 4.332 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1cc(C)cc(C)c1 ZINC000219550733 570366688 /nfs/dbraw/zinc/36/66/88/570366688.db2.gz CAELSZYEMUUJFG-OXJNMPFZSA-N 0 0 383.488 4.498 40 0 GIABRN CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccccc1OC ZINC000219563845 570368797 /nfs/dbraw/zinc/36/87/97/570368797.db2.gz AYVBVIOKRXQMLB-IBGZPJMESA-N 0 0 385.504 4.390 40 0 GIABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219599303 570370149 /nfs/dbraw/zinc/37/01/49/570370149.db2.gz YFBZXKUUNCRLMU-QGZVFWFLSA-N 0 0 385.851 4.172 40 0 GIABRN CC(C)ON1C(=O)CN(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1Cl ZINC000004357078 570370312 /nfs/dbraw/zinc/37/03/12/570370312.db2.gz MJJUMMNPLHIWMZ-GOSISDBHSA-N 0 0 393.270 4.317 40 0 GIABRN COc1cccc(CCN2CCOc3nc4c(ccc(C)c4C)cc3C2)c1OC ZINC000057718922 570370857 /nfs/dbraw/zinc/37/08/57/570370857.db2.gz PONFEFHGLARYLL-UHFFFAOYSA-N 0 0 392.499 4.306 40 0 GIABRN c1ccc(-n2nnnc2N2C[C@H]3[C@@H](C2)C2c4ccccc4C3c3ccccc32)cc1 ZINC000057731679 570371818 /nfs/dbraw/zinc/37/18/18/570371818.db2.gz DWVXKDFGGKSSAK-KFGJODCASA-N 0 0 391.478 4.006 40 0 GIABRN COc1cccc(-c2cnc(NCc3ccccc3C)nc2-c2nccn2C)c1 ZINC000057775500 570373533 /nfs/dbraw/zinc/37/35/33/570373533.db2.gz UYHHXXYJBIQBBB-UHFFFAOYSA-N 0 0 385.471 4.473 40 0 GIABRN CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)c1 ZINC000408629281 570375464 /nfs/dbraw/zinc/37/54/64/570375464.db2.gz UVWWBNYQDGEQNP-UHFFFAOYSA-N 0 0 387.911 4.131 40 0 GIABRN O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)Nc1cccc(Cl)c1 ZINC000408625968 570377366 /nfs/dbraw/zinc/37/73/66/570377366.db2.gz JWSMNJXXZNSCSC-UHFFFAOYSA-N 0 0 398.871 4.154 40 0 GIABRN CC(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000408626455 570378763 /nfs/dbraw/zinc/37/87/63/570378763.db2.gz HJZIADFPLQEUTK-UHFFFAOYSA-N 0 0 382.272 4.079 40 0 GIABRN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)C(C)(C)C ZINC000408626891 570379076 /nfs/dbraw/zinc/37/90/76/570379076.db2.gz JCXDUZUZGGROGS-UHFFFAOYSA-N 0 0 383.473 4.363 40 0 GIABRN Cc1cccc(N(CC(=O)c2ccc3c(c2)OCCO3)C2=NCCCC2)c1C ZINC000008415105 570379084 /nfs/dbraw/zinc/37/90/84/570379084.db2.gz AVAZNKSRELPNGO-UHFFFAOYSA-N 0 0 378.472 4.346 40 0 GIABRN CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccc(C(C)C)cc2)C1=O ZINC000006654532 570379782 /nfs/dbraw/zinc/37/97/82/570379782.db2.gz NCSHGQAARMPONE-AQTBWJFISA-N 0 0 388.533 4.495 40 0 GIABRN CN1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2Cl)CC1 ZINC000408629002 570381207 /nfs/dbraw/zinc/38/12/07/570381207.db2.gz HIKMKAGTEUHJTI-UHFFFAOYSA-N 0 0 379.891 4.497 40 0 GIABRN Cc1nn(CC(C)C)c(C)c1CCC(=O)n1cccc/c1=N\C1CCCCC1 ZINC000102827366 570381977 /nfs/dbraw/zinc/38/19/77/570381977.db2.gz ZQTUHARQQKKUJQ-ZNTNEXAZSA-N 0 0 382.552 4.464 40 0 GIABRN O=C(NCCO)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000004535393 570382250 /nfs/dbraw/zinc/38/22/50/570382250.db2.gz XFETVFAMAXSYBA-UHFFFAOYSA-N 0 0 396.497 4.201 40 0 GIABRN CCc1ccc(N([C@H](C)C(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 ZINC000220261977 570383898 /nfs/dbraw/zinc/38/38/98/570383898.db2.gz PKUMOBPWINBCGV-MRXNPFEDSA-N 0 0 388.533 4.166 40 0 GIABRN CC[C@@H](C(=O)Nc1ccc(C)cc1C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220529039 570387788 /nfs/dbraw/zinc/38/77/88/570387788.db2.gz MSWYSMVMLVLQMB-IBGZPJMESA-N 0 0 388.533 4.104 40 0 GIABRN CCc1ccc(NC(=O)[C@H](CC)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000220562526 570388590 /nfs/dbraw/zinc/38/85/90/570388590.db2.gz QHLJRGAVXWKHLW-FQEVSTJZSA-N 0 0 388.533 4.049 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 ZINC000222411919 570409913 /nfs/dbraw/zinc/40/99/13/570409913.db2.gz GSGUUGGTYZEDJH-JOCHJYFZSA-N 0 0 380.532 4.178 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000222444889 570410921 /nfs/dbraw/zinc/41/09/21/570410921.db2.gz NXQOWOKBRNIDIO-IBGZPJMESA-N 0 0 398.572 4.008 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1 ZINC000222454778 570411279 /nfs/dbraw/zinc/41/12/79/570411279.db2.gz CDPJNHVHSAGNMW-QFIPXVFZSA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C ZINC000222496274 570412733 /nfs/dbraw/zinc/41/27/33/570412733.db2.gz QQICMXSKSGBTMM-HSZRJFAPSA-N 0 0 394.559 4.486 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 ZINC000222504889 570412890 /nfs/dbraw/zinc/41/28/90/570412890.db2.gz KGVWGJVNPJEPCA-QFIPXVFZSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000222555466 570414318 /nfs/dbraw/zinc/41/43/18/570414318.db2.gz QQOFJKODLSTLTR-HXUWFJFHSA-N 0 0 386.923 4.215 40 0 GIABRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)S1 ZINC000222625939 570417595 /nfs/dbraw/zinc/41/75/95/570417595.db2.gz LLKDZNAIGMDENH-UAOJZALGSA-N 0 0 376.485 4.167 40 0 GIABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccc2c(c1)OCCO2 ZINC000222645178 570418454 /nfs/dbraw/zinc/41/84/54/570418454.db2.gz YDSUCTWMVYOIAB-SFHVURJKSA-N 0 0 381.472 4.117 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC)c(C)c3OC)N21 ZINC000222648604 570418655 /nfs/dbraw/zinc/41/86/55/570418655.db2.gz KNQAIXIYGHGFLO-NIKGAXFTSA-N 0 0 383.517 4.387 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222656526 570418980 /nfs/dbraw/zinc/41/89/80/570418980.db2.gz HHXMUTCIDMIIPY-IBGZPJMESA-N 0 0 380.532 4.260 40 0 GIABRN CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)ccc1OC ZINC000222660863 570419386 /nfs/dbraw/zinc/41/93/86/570419386.db2.gz MLWLBRJNQJIOPL-XPGWFJOJSA-N 0 0 383.517 4.468 40 0 GIABRN C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@@H]3[C@@H]1CC(=O)[C@@H]2O ZINC000004962069 570420135 /nfs/dbraw/zinc/42/01/35/570420135.db2.gz PGGRKBVFTNNQNV-DQRFUTEYSA-N 0 0 390.479 4.302 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222711877 570421912 /nfs/dbraw/zinc/42/19/12/570421912.db2.gz UQFBCVJXSGUKAM-LJQANCHMSA-N 0 0 380.532 4.178 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222740139 570423186 /nfs/dbraw/zinc/42/31/86/570423186.db2.gz HUPSMXYOWWCGNY-LJQANCHMSA-N 0 0 380.532 4.178 40 0 GIABRN CCOc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1OCC ZINC000007360658 570423349 /nfs/dbraw/zinc/42/33/49/570423349.db2.gz GVJQFVCTRZZUEK-UHFFFAOYSA-N 0 0 379.478 4.072 40 0 GIABRN COc1ccc(/C=C/C(=O)NCc2ccc3ccccc3c2)c(OC)c1OC ZINC000222750901 570424158 /nfs/dbraw/zinc/42/41/58/570424158.db2.gz FTOAAXCQGBSOBH-ACCUITESSA-N 0 0 377.440 4.195 40 0 GIABRN CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)o2)cc1 ZINC000222758212 570424474 /nfs/dbraw/zinc/42/44/74/570424474.db2.gz RIEQACAJAHZBOU-VQTJNVASSA-N 0 0 379.485 4.343 40 0 GIABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C ZINC000222764613 570424745 /nfs/dbraw/zinc/42/47/45/570424745.db2.gz RIHUVHOQGUBADQ-RTWAWAEBSA-N 0 0 376.529 4.400 40 0 GIABRN Cc1cc(C)cc(O[C@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 ZINC000007380760 570425634 /nfs/dbraw/zinc/42/56/34/570425634.db2.gz YJABNWXREWJYHN-GOSISDBHSA-N 0 0 386.923 4.381 40 0 GIABRN O=C(N[C@@H]1CCC[C@@H]2[C@@H](NC(=O)c3ccccc3)CCC[C@H]12)c1ccccc1 ZINC000005053191 570426536 /nfs/dbraw/zinc/42/65/36/570426536.db2.gz DXAWPSINMCXEFR-MYGLTJDJSA-N 0 0 376.500 4.184 40 0 GIABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1nccs1 ZINC000222817959 570427398 /nfs/dbraw/zinc/42/73/98/570427398.db2.gz JEZNVZWPDAZIPN-ZWKOTPCHSA-N 0 0 397.573 4.327 40 0 GIABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000007495765 570427989 /nfs/dbraw/zinc/42/79/89/570427989.db2.gz QUODIUNLMZPTER-NRFANRHFSA-N 0 0 386.923 4.463 40 0 GIABRN CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC ZINC000222835461 570428152 /nfs/dbraw/zinc/42/81/52/570428152.db2.gz KEYAHACPMHOYDT-SFHVURJKSA-N 0 0 393.314 4.089 40 0 GIABRN Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)ccc1Cl ZINC000222843654 570428709 /nfs/dbraw/zinc/42/87/09/570428709.db2.gz UZPRKLGMQXSPQH-OAHLLOKOSA-N 0 0 388.895 4.440 40 0 GIABRN COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1 ZINC000222841820 570428750 /nfs/dbraw/zinc/42/87/50/570428750.db2.gz CSBGCFBGNLZXEW-RTWAWAEBSA-N 0 0 392.528 4.262 40 0 GIABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 ZINC000222859508 570429235 /nfs/dbraw/zinc/42/92/35/570429235.db2.gz VLJNTBUROFNXIP-KGLIPLIRSA-N 0 0 382.352 4.288 40 0 GIABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(OC)c1 ZINC000222887365 570430112 /nfs/dbraw/zinc/43/01/12/570430112.db2.gz JGNADRVEWVAAFE-NHCUHLMSSA-N 0 0 392.528 4.263 40 0 GIABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 ZINC000222886425 570430159 /nfs/dbraw/zinc/43/01/59/570430159.db2.gz WGQWCPHNKMHPLA-UXHICEINSA-N 0 0 380.492 4.394 40 0 GIABRN COc1ccc2cc(S(=O)(=O)NCc3ccc(OC(C)C)cc3)ccc2c1 ZINC000222887274 570430203 /nfs/dbraw/zinc/43/02/03/570430203.db2.gz GLXIKMUJGAZGHS-UHFFFAOYSA-N 0 0 385.485 4.114 40 0 GIABRN CCCc1nnc(CSc2nnc(COc3ccc(Cl)cc3C)o2)o1 ZINC000007604691 570430294 /nfs/dbraw/zinc/43/02/94/570430294.db2.gz RICVYTBYSGLTJC-UHFFFAOYSA-N 0 0 380.857 4.238 40 0 GIABRN CSc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1NC(=O)C(C)C ZINC000222895031 570430497 /nfs/dbraw/zinc/43/04/97/570430497.db2.gz LFBSEGQATDALCF-UHFFFAOYSA-N 0 0 392.546 4.421 40 0 GIABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)nc1 ZINC000222908699 570430903 /nfs/dbraw/zinc/43/09/03/570430903.db2.gz QEECSACFGIURKG-SFTDATJTSA-N 0 0 391.544 4.204 40 0 GIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000222907340 570431057 /nfs/dbraw/zinc/43/10/57/570431057.db2.gz DCXIJEQFFJNKOK-HNNXBMFYSA-N 0 0 390.886 4.313 40 0 GIABRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)n1-c1cccnc1 ZINC000222912824 570431094 /nfs/dbraw/zinc/43/10/94/570431094.db2.gz KMQVSCNPIVYPPW-RTWAWAEBSA-N 0 0 391.544 4.204 40 0 GIABRN CCCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000222922438 570431401 /nfs/dbraw/zinc/43/14/01/570431401.db2.gz GZOGJYSGQQVWQK-LJQANCHMSA-N 0 0 398.522 4.482 40 0 GIABRN COc1ccccc1CN(C)C(=O)COc1ccc(Br)cc1Cl ZINC000005216032 570431695 /nfs/dbraw/zinc/43/16/95/570431695.db2.gz HXDJXERSWCNHIN-UHFFFAOYSA-N 0 0 398.684 4.149 40 0 GIABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 ZINC000222949984 570432893 /nfs/dbraw/zinc/43/28/93/570432893.db2.gz AMTMWFDDZHIIOM-PMACEKPBSA-N 0 0 377.517 4.040 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 ZINC000222969144 570434097 /nfs/dbraw/zinc/43/40/97/570434097.db2.gz CUMVMGHWDSESLK-OAQYLSRUSA-N 0 0 398.572 4.339 40 0 GIABRN COP(=O)(OC)[C@H](OC(=O)Nc1ccccc1)C(Cl)(Cl)Cl ZINC000005356116 570434788 /nfs/dbraw/zinc/43/47/88/570434788.db2.gz BKBXXSCKKXMADY-VIFPVBQESA-N 0 0 376.560 4.417 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000222980919 570434820 /nfs/dbraw/zinc/43/48/20/570434820.db2.gz BEOMKOPCCMQUSI-FQEVSTJZSA-N 0 0 380.532 4.180 40 0 GIABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000222984333 570435164 /nfs/dbraw/zinc/43/51/64/570435164.db2.gz KYVRXWIIBIPBFC-OAQYLSRUSA-N 0 0 382.504 4.485 40 0 GIABRN Cc1cccc(C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)c1 ZINC000007940002 570437127 /nfs/dbraw/zinc/43/71/27/570437127.db2.gz FBIKUTOKXDSAGS-UHFFFAOYSA-N 0 0 382.641 4.206 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1C ZINC000223043750 570439525 /nfs/dbraw/zinc/43/95/25/570439525.db2.gz OWUMPQVYMVFHRJ-HXUWFJFHSA-N 0 0 380.532 4.180 40 0 GIABRN CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)NC)cc1 ZINC000223051572 570440258 /nfs/dbraw/zinc/44/02/58/570440258.db2.gz UIAKGXWEMIFCIB-QFIPXVFZSA-N 0 0 380.532 4.043 40 0 GIABRN CC[C@H](NS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc2c(c1)CCCC2 ZINC000223059045 570440642 /nfs/dbraw/zinc/44/06/42/570440642.db2.gz PRWOEQJAOUSNDC-IBGZPJMESA-N 0 0 389.517 4.012 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 ZINC000223091867 570442874 /nfs/dbraw/zinc/44/28/74/570442874.db2.gz KTQNLHKLYQNBCU-SFHVURJKSA-N 0 0 384.495 4.010 40 0 GIABRN C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CSc1ccccc1 ZINC000223095167 570443252 /nfs/dbraw/zinc/44/32/52/570443252.db2.gz XVBNKSIQGLGNDM-GOSISDBHSA-N 0 0 398.572 4.153 40 0 GIABRN Cc1cc(C)cc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)c1 ZINC000223099075 570443268 /nfs/dbraw/zinc/44/32/68/570443268.db2.gz GUGOCNDLFVGPPC-UHFFFAOYSA-N 0 0 397.272 4.189 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl ZINC000223099489 570443674 /nfs/dbraw/zinc/44/36/74/570443674.db2.gz OXRCJIYUAYDGPP-FQEVSTJZSA-N 0 0 386.923 4.134 40 0 GIABRN O=C(COc1ccc(Cl)cc1Br)NCCSC1CCCC1 ZINC000223131376 570445455 /nfs/dbraw/zinc/44/54/55/570445455.db2.gz PGUZKBBCCUCXLU-UHFFFAOYSA-N 0 0 392.746 4.273 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 ZINC000223134238 570446082 /nfs/dbraw/zinc/44/60/82/570446082.db2.gz KMKMFYFIYNSDQQ-GOSISDBHSA-N 0 0 393.314 4.089 40 0 GIABRN Nc1nc(/C=C\c2ccccc2)cc(-c2cc(/C=C\c3ccccc3)nc(N)n2)n1 ZINC000005567319 570446297 /nfs/dbraw/zinc/44/62/97/570446297.db2.gz RAZLWQPTMTYSMG-XSYHWHKQSA-N 0 0 392.466 4.439 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223141677 570446418 /nfs/dbraw/zinc/44/64/18/570446418.db2.gz SHXMGCGFMJSAGF-GOSISDBHSA-N 0 0 384.495 4.010 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223143041 570446717 /nfs/dbraw/zinc/44/67/17/570446717.db2.gz PTGMTCKCNQJTIL-NRFANRHFSA-N 0 0 394.559 4.488 40 0 GIABRN COc1ccc(-c2ncc(C(=O)Nc3ccc(OC)c(Cl)c3)c(C)n2)cc1 ZINC000223143585 570446857 /nfs/dbraw/zinc/44/68/57/570446857.db2.gz FPPDQTMKHNGOPW-UHFFFAOYSA-N 0 0 383.835 4.375 40 0 GIABRN CCSc1nnc(NC(=O)CSCc2c(F)cccc2Cl)s1 ZINC000223194884 570448897 /nfs/dbraw/zinc/44/88/97/570448897.db2.gz KNPSVHRPNKLDIX-UHFFFAOYSA-N 0 0 377.919 4.315 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223181612 570448678 /nfs/dbraw/zinc/44/86/78/570448678.db2.gz GZYUKBVHOGDUOQ-HXUWFJFHSA-N 0 0 386.923 4.053 40 0 GIABRN O=C(N/C(=C/c1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000005606744 570448700 /nfs/dbraw/zinc/44/87/00/570448700.db2.gz HVXKWYMQSIPYSG-XDHOZWIPSA-N 0 0 383.407 4.220 40 0 GIABRN CCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCC(C)C ZINC000223196224 570449402 /nfs/dbraw/zinc/44/94/02/570449402.db2.gz BHMYZNLEURIWJJ-QFIPXVFZSA-N 0 0 398.522 4.338 40 0 GIABRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C ZINC000223200801 570449524 /nfs/dbraw/zinc/44/95/24/570449524.db2.gz YCFWQXLYGVIGTP-JOCHJYFZSA-N 0 0 398.522 4.194 40 0 GIABRN O=C(c1ccco1)c1noc(-c2cccs2)c1S(=O)(=O)c1ccccc1 ZINC000005684516 570451466 /nfs/dbraw/zinc/45/14/66/570451466.db2.gz ARTQEVFWHMNTMW-UHFFFAOYSA-N 0 0 385.422 4.060 40 0 GIABRN COc1ccc(Cc2nc3ccccc3n2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000035288756 570451550 /nfs/dbraw/zinc/45/15/50/570451550.db2.gz PQTYNEOPZBFKRI-UHFFFAOYSA-N 0 0 396.443 4.012 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 ZINC000223267049 570454654 /nfs/dbraw/zinc/45/46/54/570454654.db2.gz PEBJLRRUMAYLFO-LJQANCHMSA-N 0 0 398.522 4.400 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 ZINC000223270666 570454807 /nfs/dbraw/zinc/45/48/07/570454807.db2.gz LNLWAUIDFCIXML-NRFANRHFSA-N 0 0 380.532 4.260 40 0 GIABRN O=C1CC[C@@H](c2nnc(COc3ccc(Cl)cc3)o2)N1Cc1ccccc1 ZINC000005767906 570455910 /nfs/dbraw/zinc/45/59/10/570455910.db2.gz HNYCKSMRTQHKTA-KRWDZBQOSA-N 0 0 383.835 4.166 40 0 GIABRN Cn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cn1 ZINC000225596093 570457314 /nfs/dbraw/zinc/45/73/14/570457314.db2.gz RIGYQZYGTOVKFZ-VCWLNDLASA-N 0 0 384.564 4.178 40 0 GIABRN Cc1ccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 ZINC000005814308 570457987 /nfs/dbraw/zinc/45/79/87/570457987.db2.gz HAXHFKQRZGNYSZ-ZHZULCJRSA-N 0 0 376.481 4.144 40 0 GIABRN CC(C)C(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000223348873 570460833 /nfs/dbraw/zinc/46/08/33/570460833.db2.gz VMCKXPHKAPHEKS-JOCHJYFZSA-N 0 0 390.483 4.322 40 0 GIABRN O=C(NC1CCN(C(=S)Nc2ccc(Cl)cc2)CC1)c1cccc(F)c1 ZINC000035291796 570461012 /nfs/dbraw/zinc/46/10/12/570461012.db2.gz DFPXNPYFHFYVLJ-UHFFFAOYSA-N 0 0 391.899 4.070 40 0 GIABRN CCC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223367857 570462280 /nfs/dbraw/zinc/46/22/80/570462280.db2.gz FAIWMYANMGKLOD-UGKGYDQZSA-N 0 0 380.532 4.260 40 0 GIABRN COC(=O)c1ccc(NC(C)(C)C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000223414117 570464935 /nfs/dbraw/zinc/46/49/35/570464935.db2.gz IJMSEFWUHCEQPN-UHFFFAOYSA-N 0 0 396.896 4.138 40 0 GIABRN Cc1cccc2cc(CN(Cc3ccco3)C(=O)c3cnccn3)c(Cl)nc12 ZINC000035312546 570467493 /nfs/dbraw/zinc/46/74/93/570467493.db2.gz YOIUHHNJQJOVAW-UHFFFAOYSA-N 0 0 392.846 4.422 40 0 GIABRN Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000035313913 570468242 /nfs/dbraw/zinc/46/82/42/570468242.db2.gz ZBBNXNXBDVZSAG-UHFFFAOYSA-N 0 0 390.892 4.358 40 0 GIABRN CC(C)CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C ZINC000223484413 570468349 /nfs/dbraw/zinc/46/83/49/570468349.db2.gz AIPUHZLFAZHRCE-OAQYLSRUSA-N 0 0 384.495 4.324 40 0 GIABRN O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1-c1ccccc1 ZINC000035314321 570468680 /nfs/dbraw/zinc/46/86/80/570468680.db2.gz XBJLLSXMSZBUJP-UHFFFAOYSA-N 0 0 387.464 4.321 40 0 GIABRN CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccncc1 ZINC000223505177 570469124 /nfs/dbraw/zinc/46/91/24/570469124.db2.gz ATMNTQKZVKBPQK-WOJBJXKFSA-N 0 0 377.517 4.032 40 0 GIABRN CC(=O)N1c2ccc(-c3nc(NC(=O)c4cccnc4)sc3C)cc2C[C@H]1C ZINC000035315607 570469443 /nfs/dbraw/zinc/46/94/43/570469443.db2.gz QLPJFGKEWTZIFT-GFCCVEGCSA-N 0 0 392.484 4.063 40 0 GIABRN COc1cccc(Cn2cc(NC(=O)c3ccc(N4CCCCC4)cc3)cn2)c1 ZINC000035316681 570470433 /nfs/dbraw/zinc/47/04/33/570470433.db2.gz ZQVOMSFWECRJLU-UHFFFAOYSA-N 0 0 390.487 4.183 40 0 GIABRN O=S(=O)(Cc1c(F)cccc1Cl)NCCOc1cccc2ccccc21 ZINC000223540554 570470487 /nfs/dbraw/zinc/47/04/87/570470487.db2.gz XBSYBXPUZJDONH-UHFFFAOYSA-N 0 0 393.867 4.131 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc(C)cc1 ZINC000223549454 570470741 /nfs/dbraw/zinc/47/07/41/570470741.db2.gz NWJMFGLNANFOND-LJQANCHMSA-N 0 0 398.572 4.090 40 0 GIABRN O=C(COc1cccc2c1CCCC2)NCCOc1cccc2ccccc21 ZINC000223572754 570471952 /nfs/dbraw/zinc/47/19/52/570471952.db2.gz CCDIVFNUKYGUBN-UHFFFAOYSA-N 0 0 375.468 4.293 40 0 GIABRN CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000006238421 570473437 /nfs/dbraw/zinc/47/34/37/570473437.db2.gz ZCSGFOVJFLZFMC-UHFFFAOYSA-N 0 0 382.272 4.079 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000223598618 570473535 /nfs/dbraw/zinc/47/35/35/570473535.db2.gz ODVIVLAVQSWXRH-JOCHJYFZSA-N 0 0 392.499 4.488 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1 ZINC000223609288 570474052 /nfs/dbraw/zinc/47/40/52/570474052.db2.gz WXUZRRJIEYNOJL-QFIPXVFZSA-N 0 0 380.532 4.261 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1F ZINC000223607510 570474165 /nfs/dbraw/zinc/47/41/65/570474165.db2.gz COFXMGLZRMWLLU-NRFANRHFSA-N 0 0 384.495 4.092 40 0 GIABRN Cc1ccc(C)c(S(=O)(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 ZINC000223620233 570474515 /nfs/dbraw/zinc/47/45/15/570474515.db2.gz RXCYDATYQBNIBG-UHFFFAOYSA-N 0 0 399.516 4.129 40 0 GIABRN COc1ccc(S(=O)(=O)NCCSCc2cccc(Cl)c2)c(C)c1C ZINC000223631569 570475473 /nfs/dbraw/zinc/47/54/73/570475473.db2.gz VQCBXMUDWMPVPW-UHFFFAOYSA-N 0 0 399.965 4.177 40 0 GIABRN O=C(C=Cc1ccccc1)C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 ZINC000006281910 570475780 /nfs/dbraw/zinc/47/57/80/570475780.db2.gz VXDVBYRCTSCSGE-SSVKHQHASA-N 0 0 383.447 4.094 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1C ZINC000223639311 570475953 /nfs/dbraw/zinc/47/59/53/570475953.db2.gz MUBXJLXHYXVXFV-IBGZPJMESA-N 0 0 398.572 4.090 40 0 GIABRN COC(=O)c1c(C)c(C(=O)Nc2cccc(Cl)c2)sc1NC(=O)C(C)C ZINC000000676495 570476144 /nfs/dbraw/zinc/47/61/44/570476144.db2.gz ZHPXZAADSMFADW-UHFFFAOYSA-N 0 0 394.880 4.343 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 ZINC000223655991 570476949 /nfs/dbraw/zinc/47/69/49/570476949.db2.gz VQVVRRKQQXSSLK-QFIPXVFZSA-N 0 0 380.532 4.261 40 0 GIABRN CC(C)c1ccc(OCC(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)cc1 ZINC000006359042 570477750 /nfs/dbraw/zinc/47/77/50/570477750.db2.gz GMEBOQSUTFLNGV-UHFFFAOYSA-N 0 0 386.561 4.004 40 0 GIABRN CC(C)COc1cccc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)c1 ZINC000006357998 570477823 /nfs/dbraw/zinc/47/78/23/570477823.db2.gz JZVASYWJIFOVQU-UHFFFAOYSA-N 0 0 386.561 4.150 40 0 GIABRN CCc1ccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1 ZINC000006356199 570477877 /nfs/dbraw/zinc/47/78/77/570477877.db2.gz USLAVOLMHDZCOI-UHFFFAOYSA-N 0 0 377.473 4.284 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(C)c1 ZINC000223679814 570478387 /nfs/dbraw/zinc/47/83/87/570478387.db2.gz AGOFQQPAIVEVFZ-IBGZPJMESA-N 0 0 398.572 4.090 40 0 GIABRN CCC1=NN(C(=O)c2ccccc2C)[C@](O)(c2ccc(Br)cc2)C1 ZINC000000715025 570478495 /nfs/dbraw/zinc/47/84/95/570478495.db2.gz ZKQVPHPIEMTOSX-LJQANCHMSA-N 0 0 387.277 4.215 40 0 GIABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1nc2ccc(N3CCOCC3)cc2s1 ZINC000006422966 570479902 /nfs/dbraw/zinc/47/99/02/570479902.db2.gz NPNHNCGDAZMKBQ-FPYGCLRLSA-N 0 0 399.903 4.438 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C ZINC000223718328 570481066 /nfs/dbraw/zinc/48/10/66/570481066.db2.gz DFNMQRXDVACECE-KRWDZBQOSA-N 0 0 386.923 4.053 40 0 GIABRN COc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C ZINC000223736455 570482120 /nfs/dbraw/zinc/48/21/20/570482120.db2.gz VUXRYACDVVWEDV-QZTJIDSGSA-N 0 0 385.504 4.478 40 0 GIABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223741108 570482179 /nfs/dbraw/zinc/48/21/79/570482179.db2.gz QQXIDZDAOGUWJS-QGZVFWFLSA-N 0 0 398.934 4.359 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223745695 570482627 /nfs/dbraw/zinc/48/26/27/570482627.db2.gz LJOGOQFVNIDJCY-QFIPXVFZSA-N 0 0 398.522 4.400 40 0 GIABRN COc1ccc(/C=C/C(=O)NCCOc2ccccc2C(C)C)c(OC)c1OC ZINC000223748971 570483022 /nfs/dbraw/zinc/48/30/22/570483022.db2.gz HVLIVARKZODDTF-ACCUITESSA-N 0 0 399.487 4.044 40 0 GIABRN CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)CC ZINC000000818005 570484596 /nfs/dbraw/zinc/48/45/96/570484596.db2.gz OFCYXWCDGJWZPO-ATVHPVEESA-N 0 0 379.412 4.054 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccccc2F)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223814417 570485509 /nfs/dbraw/zinc/48/55/09/570485509.db2.gz GDTQVWWYSMRMHA-GOSISDBHSA-N 0 0 396.506 4.153 40 0 GIABRN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000223829757 570486290 /nfs/dbraw/zinc/48/62/90/570486290.db2.gz RXGZIJIFSOOPBH-UHFFFAOYSA-N 0 0 381.881 4.052 40 0 GIABRN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000223835395 570486719 /nfs/dbraw/zinc/48/67/19/570486719.db2.gz KOFUQACLBPFAAO-UHFFFAOYSA-N 0 0 397.452 4.375 40 0 GIABRN CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 ZINC000223846300 570487037 /nfs/dbraw/zinc/48/70/37/570487037.db2.gz LCSQXRLRISNQIS-WOJBJXKFSA-N 0 0 378.501 4.347 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223901925 570489675 /nfs/dbraw/zinc/48/96/75/570489675.db2.gz BQZSGEOBXPRVRC-GOSISDBHSA-N 0 0 396.506 4.153 40 0 GIABRN COc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc(OC)c(C)c1)CC(C)(C)O2 ZINC000223987536 570493116 /nfs/dbraw/zinc/49/31/16/570493116.db2.gz JMLCRPFTEHVXHL-IBGZPJMESA-N 0 0 383.488 4.363 40 0 GIABRN CCCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000223996519 570493558 /nfs/dbraw/zinc/49/35/58/570493558.db2.gz RAOGKNKEYVIYLY-UHFFFAOYSA-N 0 0 392.546 4.129 40 0 GIABRN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccc(C)c2)o1 ZINC000000853601 570495614 /nfs/dbraw/zinc/49/56/14/570495614.db2.gz XXQUCTJPKYQZBG-UHFFFAOYSA-N 0 0 389.864 4.438 40 0 GIABRN CCCCCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224053437 570496283 /nfs/dbraw/zinc/49/62/83/570496283.db2.gz GZHYLZUEZBENBC-UHFFFAOYSA-N 0 0 394.924 4.369 40 0 GIABRN CSc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1NC(C)=O ZINC000224056595 570496764 /nfs/dbraw/zinc/49/67/64/570496764.db2.gz NTSQRBIYLKPPGT-UHFFFAOYSA-N 0 0 384.910 4.130 40 0 GIABRN COc1ccc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1Cl ZINC000224055997 570496771 /nfs/dbraw/zinc/49/67/71/570496771.db2.gz ZOKCVAWSQAQVHY-UHFFFAOYSA-N 0 0 392.242 4.324 40 0 GIABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCC1CCCCC1 ZINC000224079927 570497626 /nfs/dbraw/zinc/49/76/26/570497626.db2.gz YFAQEQMSTIPQRQ-UHFFFAOYSA-N 0 0 386.517 4.106 40 0 GIABRN COc1ccc(CCNC(=O)c2ccc(OC)c(COc3ccccc3)c2)cc1 ZINC000224084218 570497705 /nfs/dbraw/zinc/49/77/05/570497705.db2.gz ROXVXCAITNBKDN-UHFFFAOYSA-N 0 0 391.467 4.255 40 0 GIABRN Cc1cc(C(=O)NCC2=CCCCC2)ccc1NS(=O)(=O)c1ccccc1 ZINC000224088466 570497974 /nfs/dbraw/zinc/49/79/74/570497974.db2.gz ABALTFDVBSVDSK-UHFFFAOYSA-N 0 0 384.501 4.026 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccccc1 ZINC000224095394 570498418 /nfs/dbraw/zinc/49/84/18/570498418.db2.gz OKLUOKPJKVLOOS-FQEVSTJZSA-N 0 0 384.545 4.112 40 0 GIABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 ZINC000224097310 570498759 /nfs/dbraw/zinc/49/87/59/570498759.db2.gz XWBLDPFSIRVBHW-HXUWFJFHSA-N 0 0 396.531 4.035 40 0 GIABRN O=C(c1cc(Br)ccc1Cl)N1CCN(c2ccccc2F)CC1 ZINC000027500397 570499730 /nfs/dbraw/zinc/49/97/30/570499730.db2.gz AWDIDHQMOYANSL-UHFFFAOYSA-N 0 0 397.675 4.204 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C ZINC000224133830 570500182 /nfs/dbraw/zinc/50/01/82/570500182.db2.gz URXKAYWKLFIREK-OAQYLSRUSA-N 0 0 396.531 4.132 40 0 GIABRN Cc1ccc(C)c(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224136227 570500475 /nfs/dbraw/zinc/50/04/75/570500475.db2.gz UTWSJXSMIPPMPK-NRFANRHFSA-N 0 0 394.559 4.344 40 0 GIABRN COC(=O)c1c(C)c(C(=O)Nc2cccc(Cl)c2C)sc1NC(C)=O ZINC000000868922 570501419 /nfs/dbraw/zinc/50/14/19/570501419.db2.gz WBPKGGHXFLTTAW-UHFFFAOYSA-N 0 0 380.853 4.016 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 ZINC000224167305 570501796 /nfs/dbraw/zinc/50/17/96/570501796.db2.gz LEUVNTIAPJAQOU-JOCHJYFZSA-N 0 0 380.532 4.098 40 0 GIABRN CCCC(=O)Nc1sc(C(=O)Nc2ccc(C)cc2C)c(C)c1C(=O)OC ZINC000000871505 570502121 /nfs/dbraw/zinc/50/21/21/570502121.db2.gz YWCFKSLWSKMISR-UHFFFAOYSA-N 0 0 388.489 4.451 40 0 GIABRN Cc1ccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224178358 570502204 /nfs/dbraw/zinc/50/22/04/570502204.db2.gz VSHYHDNZQCUJFI-HXUWFJFHSA-N 0 0 380.532 4.117 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 ZINC000224183297 570502765 /nfs/dbraw/zinc/50/27/65/570502765.db2.gz WFLGYWREJCONOH-NRFANRHFSA-N 0 0 398.572 4.421 40 0 GIABRN Cc1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1C ZINC000224188981 570502891 /nfs/dbraw/zinc/50/28/91/570502891.db2.gz BGFXSQKMPQMFTD-UHFFFAOYSA-N 0 0 376.456 4.398 40 0 GIABRN COc1ccc(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1OC ZINC000007345232 570503108 /nfs/dbraw/zinc/50/31/08/570503108.db2.gz NCOKLGFDBABWIN-UHFFFAOYSA-N 0 0 389.864 4.057 40 0 GIABRN COc1ccc(OCc2nnc(SCC(=O)c3ccc(Cl)cc3)o2)cc1 ZINC000000876107 570504100 /nfs/dbraw/zinc/50/41/00/570504100.db2.gz NLDHJKAJPSZGPP-UHFFFAOYSA-N 0 0 390.848 4.286 40 0 GIABRN Cc1ccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1N1CCCC1=O ZINC000224248849 570505759 /nfs/dbraw/zinc/50/57/59/570505759.db2.gz BVZWRNMDDCGDFA-KRWDZBQOSA-N 0 0 392.499 4.407 40 0 GIABRN COc1ccc(OCc2cc(C(=O)NCc3ccc(F)cc3)ccc2OC)cc1 ZINC000224272904 570506851 /nfs/dbraw/zinc/50/68/51/570506851.db2.gz ODWUPJNCAJALSV-UHFFFAOYSA-N 0 0 395.430 4.352 40 0 GIABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000224324733 570508954 /nfs/dbraw/zinc/50/89/54/570508954.db2.gz IGVYOMBYMITHBF-MRXNPFEDSA-N 0 0 378.472 4.098 40 0 GIABRN CC[C@@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1)c1ccc(OC)c(C)c1 ZINC000224324574 570509076 /nfs/dbraw/zinc/50/90/76/570509076.db2.gz REGLRRSGTSIQBB-MRXNPFEDSA-N 0 0 383.897 4.095 40 0 GIABRN O=C(NCCOc1ccc(F)cc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000224337883 570509791 /nfs/dbraw/zinc/50/97/91/570509791.db2.gz HERUUHNYZKJRFF-UHFFFAOYSA-N 0 0 390.458 4.197 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 ZINC000224352002 570510182 /nfs/dbraw/zinc/51/01/82/570510182.db2.gz STPFWBIEVCDRCZ-HXUWFJFHSA-N 0 0 386.923 4.134 40 0 GIABRN Cc1cc(C)c(NC(=O)CSc2nnc3c4cc(F)ccc4[nH]c3n2)c(C)c1 ZINC000000886852 570510919 /nfs/dbraw/zinc/51/09/19/570510919.db2.gz QXHPGSSAYPIZDW-UHFFFAOYSA-N 0 0 395.463 4.301 40 0 GIABRN CCOC(=O)CSc1nnc(CNc2ccc(C)cc2C)n1-c1ccccc1 ZINC000000887787 570510977 /nfs/dbraw/zinc/51/09/77/570510977.db2.gz YOKMFXCKBLRAGZ-UHFFFAOYSA-N 0 0 396.516 4.151 40 0 GIABRN COc1ccc(NCc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)o2)cc1 ZINC000000892202 570512129 /nfs/dbraw/zinc/51/21/29/570512129.db2.gz AIZWMEZQJPIOCK-UHFFFAOYSA-N 0 0 398.488 4.038 40 0 GIABRN CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc(OC)cc2)c2ccccc2O1 ZINC000224416744 570512375 /nfs/dbraw/zinc/51/23/75/570512375.db2.gz MDIVKDDTXRKGTC-GOSISDBHSA-N 0 0 375.490 4.056 40 0 GIABRN COc1cc(C)c(S(=O)(=O)Nc2ccc(Br)cc2F)cc1C ZINC000224426899 570512650 /nfs/dbraw/zinc/51/26/50/570512650.db2.gz HXZZICXFBCFMDU-UHFFFAOYSA-N 0 0 388.258 4.014 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000224438242 570513132 /nfs/dbraw/zinc/51/31/32/570513132.db2.gz UTZAWJGPKRIOOG-FZKQIMNGSA-N 0 0 377.868 4.392 40 0 GIABRN Cc1ccc2cc(C)c3nnc(SCC(=O)Nc4ccc(F)cc4)n3c2c1 ZINC000000903059 570514758 /nfs/dbraw/zinc/51/47/58/570514758.db2.gz IPOGGOMUYIQPRL-UHFFFAOYSA-N 0 0 380.448 4.369 40 0 GIABRN COc1ccc2cc(S(=O)(=O)Nc3ccc(OC)c(Cl)c3)ccc2c1 ZINC000224499213 570515615 /nfs/dbraw/zinc/51/56/15/570515615.db2.gz DRYXNASEPYUXJO-UHFFFAOYSA-N 0 0 377.849 4.311 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)n2)c1 ZINC000007780982 570515762 /nfs/dbraw/zinc/51/57/62/570515762.db2.gz MQLVFGGKCDNEOI-OAHLLOKOSA-N 0 0 399.878 4.433 40 0 GIABRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1 ZINC000224524294 570516410 /nfs/dbraw/zinc/51/64/10/570516410.db2.gz ZHZOMDKKIOKZQN-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C)c2C)c1 ZINC000224527859 570516818 /nfs/dbraw/zinc/51/68/18/570516818.db2.gz SYTNSRVPSKBZMT-LEWJYISDSA-N 0 0 392.528 4.223 40 0 GIABRN CCOc1ccc(N2C(=S)N[C@H]3C[C@]2(C)Oc2c(OCC)cccc23)cc1 ZINC000002963424 570517997 /nfs/dbraw/zinc/51/79/97/570517997.db2.gz HKNUCODTQWPLTH-UWJYYQICSA-N 0 0 384.501 4.419 40 0 GIABRN Cc1ccccc1CNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C ZINC000224556173 570518059 /nfs/dbraw/zinc/51/80/59/570518059.db2.gz MHOADYMGRYAMPA-STZFKDTASA-N 0 0 390.508 4.452 40 0 GIABRN CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1O ZINC000224610538 570520391 /nfs/dbraw/zinc/52/03/91/570520391.db2.gz ARTLUASRLDTTKK-PMACEKPBSA-N 0 0 378.501 4.347 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 ZINC000224664982 570523465 /nfs/dbraw/zinc/52/34/65/570523465.db2.gz HDKAFWXKAPVLPR-QFIPXVFZSA-N 0 0 398.522 4.256 40 0 GIABRN CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)NC[C@@H]2CCCO2)C12CCCCC2 ZINC000071285838 570524624 /nfs/dbraw/zinc/52/46/24/570524624.db2.gz UJTRLZADDMBHFV-LQWHRVPQSA-N 0 0 398.547 4.023 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C ZINC000224734265 570527870 /nfs/dbraw/zinc/52/78/70/570527870.db2.gz DYTUGCMZYCQAJD-FQEVSTJZSA-N 0 0 380.532 4.098 40 0 GIABRN Cc1cc(Br)c(NC(=O)COC(=O)c2ccc(F)cc2)cc1C ZINC000008333824 570528461 /nfs/dbraw/zinc/52/84/61/570528461.db2.gz PXPPARPGZBPCEP-UHFFFAOYSA-N 0 0 380.213 4.001 40 0 GIABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000224753160 570529109 /nfs/dbraw/zinc/52/91/09/570529109.db2.gz NWNQCUMQPPLRCB-UGSOOPFHSA-N 0 0 377.868 4.392 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 ZINC000224763579 570530011 /nfs/dbraw/zinc/53/00/11/570530011.db2.gz PZLSRERJPVDOMF-FQEVSTJZSA-N 0 0 380.532 4.180 40 0 GIABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)o2)c(OC)c1 ZINC000224794115 570530727 /nfs/dbraw/zinc/53/07/27/570530727.db2.gz YZXUWZQSCQSUDF-UXHICEINSA-N 0 0 395.484 4.177 40 0 GIABRN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 ZINC000224787666 570530755 /nfs/dbraw/zinc/53/07/55/570530755.db2.gz AJMQNJZDWZMWSD-UHFFFAOYSA-N 0 0 392.546 4.293 40 0 GIABRN Cc1cccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)o2)c1C ZINC000000917160 570533368 /nfs/dbraw/zinc/53/33/68/570533368.db2.gz ZFMFPOYJYFTFNC-UHFFFAOYSA-N 0 0 386.452 4.168 40 0 GIABRN CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(NC(C)=O)cc3)o2)cc1 ZINC000224860087 570534721 /nfs/dbraw/zinc/53/47/21/570534721.db2.gz PMJGUWUDODAWPB-UHFFFAOYSA-N 0 0 393.443 4.270 40 0 GIABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)[nH]1 ZINC000224885487 570536358 /nfs/dbraw/zinc/53/63/58/570536358.db2.gz CQOUUDJKBXWCJB-ROUUACIJSA-N 0 0 384.892 4.254 40 0 GIABRN O=C(Nc1nccs1)[C@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl ZINC000001085127 570537167 /nfs/dbraw/zinc/53/71/67/570537167.db2.gz FTZBWFSPMTXZTL-DTWKUNHWSA-N 0 0 395.695 4.093 40 0 GIABRN Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc2c(n1)[nH]c1ccccc12 ZINC000000923707 570537926 /nfs/dbraw/zinc/53/79/26/570537926.db2.gz RKHKSUYFDDFDAI-ZDUSSCGKSA-N 0 0 377.473 4.242 40 0 GIABRN COc1ccc(NCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)cc1 ZINC000000925123 570538333 /nfs/dbraw/zinc/53/83/33/570538333.db2.gz QLOIKTMMVJHGFL-UHFFFAOYSA-N 0 0 398.488 4.038 40 0 GIABRN COc1ccc2cc(C)c3nnc(SCC(=O)N4[C@H](C)CCC[C@@H]4C)n3c2c1 ZINC000000928422 570539309 /nfs/dbraw/zinc/53/93/09/570539309.db2.gz RWLLJJUGIQNWIN-GASCZTMLSA-N 0 0 398.532 4.081 40 0 GIABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1Cl ZINC000224973191 570540811 /nfs/dbraw/zinc/54/08/11/570540811.db2.gz PPGQAYSRNGIUHM-RTBURBONSA-N 0 0 398.919 4.259 40 0 GIABRN CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1Cl ZINC000224994340 570542300 /nfs/dbraw/zinc/54/23/00/570542300.db2.gz CUPFJBVCAZSYBG-UHFFFAOYSA-N 0 0 399.921 4.064 40 0 GIABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000225005050 570543027 /nfs/dbraw/zinc/54/30/27/570543027.db2.gz VRQHGUXOYKVZCO-HSZRJFAPSA-N 0 0 390.483 4.473 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225012320 570543407 /nfs/dbraw/zinc/54/34/07/570543407.db2.gz PVAJGFKARZLULC-PMACEKPBSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C ZINC000225012815 570543414 /nfs/dbraw/zinc/54/34/14/570543414.db2.gz WKGBIYIKQFJVKB-PMACEKPBSA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225012277 570543495 /nfs/dbraw/zinc/54/34/95/570543495.db2.gz PVAJGFKARZLULC-UXHICEINSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccccc1 ZINC000225017280 570543775 /nfs/dbraw/zinc/54/37/75/570543775.db2.gz HTIZTBJKXQILRY-PMACEKPBSA-N 0 0 380.532 4.260 40 0 GIABRN COc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(Br)cc23)cc1 ZINC000002468509 570544202 /nfs/dbraw/zinc/54/42/02/570544202.db2.gz WPMOQEWUHPBHGT-CRAIPNDOSA-N 0 0 389.249 4.227 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccco2)N1CCCNc1ccccc1 ZINC000225033272 570544529 /nfs/dbraw/zinc/54/45/29/570544529.db2.gz SWBUZKFUYRLNTK-PMACEKPBSA-N 0 0 378.501 4.149 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C ZINC000225053075 570545735 /nfs/dbraw/zinc/54/57/35/570545735.db2.gz XTLRKINKXHYZIN-PMACEKPBSA-N 0 0 396.531 4.014 40 0 GIABRN COc1ccc(OC[C@H](C)NC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000225073165 570546997 /nfs/dbraw/zinc/54/69/97/570546997.db2.gz XIEHMCVSXCDAGV-NSHDSACASA-N 0 0 398.684 4.308 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)ccc1C ZINC000225094801 570548340 /nfs/dbraw/zinc/54/83/40/570548340.db2.gz CUFDUGMIJYXGBO-OAQYLSRUSA-N 0 0 396.531 4.016 40 0 GIABRN CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225114464 570549719 /nfs/dbraw/zinc/54/97/19/570549719.db2.gz NJYNSSKHNVGTLB-UHFFFAOYSA-N 0 0 378.252 4.356 40 0 GIABRN CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225113494 570549786 /nfs/dbraw/zinc/54/97/86/570549786.db2.gz MKGORMCJBQWXSC-UHFFFAOYSA-N 0 0 377.359 4.068 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCOc2ccc(Cl)cc2)cc1C(C)C ZINC000225112764 570549931 /nfs/dbraw/zinc/54/99/31/570549931.db2.gz JDGFJAGQSNAAPP-UHFFFAOYSA-N 0 0 397.924 4.138 40 0 GIABRN COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1OC ZINC000225130556 570551019 /nfs/dbraw/zinc/55/10/19/570551019.db2.gz SVZARRKCTUCZOJ-UXBLZVDNSA-N 0 0 398.484 4.313 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 ZINC000225131073 570551168 /nfs/dbraw/zinc/55/11/68/570551168.db2.gz RQNUNQHXDLIQDD-QZTJIDSGSA-N 0 0 384.495 4.009 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 ZINC000225132813 570551366 /nfs/dbraw/zinc/55/13/66/570551366.db2.gz UEPDPEMYQJLUPN-QFIPXVFZSA-N 0 0 380.532 4.180 40 0 GIABRN COCc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)c1 ZINC000225189140 570554780 /nfs/dbraw/zinc/55/47/80/570554780.db2.gz HNUUIQPNPHMZRM-STZFKDTASA-N 0 0 390.439 4.144 40 0 GIABRN Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)NCCc2ccccc2)n1 ZINC000225204159 570556213 /nfs/dbraw/zinc/55/62/13/570556213.db2.gz UWXPPARICPXQBC-UHFFFAOYSA-N 0 0 381.480 4.197 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 ZINC000225230419 570558224 /nfs/dbraw/zinc/55/82/24/570558224.db2.gz KVABHFWXPMYNII-MOPGFXCFSA-N 0 0 398.522 4.399 40 0 GIABRN COc1ccc(C(=O)N2CCS/C2=C\c2nc(-c3ccccc3F)no2)cc1 ZINC000225241903 570558987 /nfs/dbraw/zinc/55/89/87/570558987.db2.gz XSYRAOGPNMGBRS-LDADJPATSA-N 0 0 397.431 4.072 40 0 GIABRN O=C(CSCc1ccc(Cl)cc1Cl)NC[C@H]1COc2ccccc2O1 ZINC000225278961 570561340 /nfs/dbraw/zinc/56/13/40/570561340.db2.gz UZUJCMWRONCGSX-AWEZNQCLSA-N 0 0 398.311 4.183 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)NCCSc2ccccc2)c1 ZINC000225284895 570561607 /nfs/dbraw/zinc/56/16/07/570561607.db2.gz ZOLPQEZWXQPEOF-UHFFFAOYSA-N 0 0 380.922 4.205 40 0 GIABRN COC(=O)c1c(NC(=O)CCc2ccc(OC)c(C)c2)sc2c1CCCC2 ZINC000225290314 570562262 /nfs/dbraw/zinc/56/22/62/570562262.db2.gz JQSYTJUZYXBPGP-UHFFFAOYSA-N 0 0 387.501 4.302 40 0 GIABRN Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 ZINC000009903464 570562688 /nfs/dbraw/zinc/56/26/88/570562688.db2.gz XWGVKUHYKAFALS-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN CCOC(=O)c1cc(NC(=S)NCc2ccc(OC)cc2)ccc1Cl ZINC000225314662 570564368 /nfs/dbraw/zinc/56/43/68/570564368.db2.gz FYZQKPBDLXTLKK-UHFFFAOYSA-N 0 0 378.881 4.012 40 0 GIABRN Cc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1 ZINC000010009582 570564469 /nfs/dbraw/zinc/56/44/69/570564469.db2.gz DBQQZTDOXAIRFT-UHFFFAOYSA-N 0 0 386.498 4.134 40 0 GIABRN COc1ccccc1N1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000225323100 570564705 /nfs/dbraw/zinc/56/47/05/570564705.db2.gz NRUBCOPTCUZYIB-UHFFFAOYSA-N 0 0 393.314 4.283 40 0 GIABRN COc1ccc([C@H]2Cc3c(c(C)nn3-c3ccccc3F)C(=O)C2)c(OC)c1 ZINC000010156811 570565842 /nfs/dbraw/zinc/56/58/42/570565842.db2.gz CKLFZNKCLJYLBS-AWEZNQCLSA-N 0 0 380.419 4.250 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)NCCSC2CCCCC2)c1 ZINC000225358230 570567330 /nfs/dbraw/zinc/56/73/30/570567330.db2.gz FIUADPQTLXNYLZ-UHFFFAOYSA-N 0 0 386.970 4.479 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000010275691 570567621 /nfs/dbraw/zinc/56/76/21/570567621.db2.gz WIOQZZGXDVDGCV-CQSZACIVSA-N 0 0 377.506 4.041 40 0 GIABRN Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 ZINC000010330479 570569257 /nfs/dbraw/zinc/56/92/57/570569257.db2.gz XUIIHKKWHFGNLF-HNNXBMFYSA-N 0 0 394.924 4.058 40 0 GIABRN O=C(NCCSC1CCCC1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000225389826 570569475 /nfs/dbraw/zinc/56/94/75/570569475.db2.gz YDEYQMAQLWQODP-UHFFFAOYSA-N 0 0 398.975 4.483 40 0 GIABRN Cc1ccc(C(C)C)c(OCC(=O)N(C)Cc2nc(-c3cccs3)no2)c1 ZINC000225414926 570571599 /nfs/dbraw/zinc/57/15/99/570571599.db2.gz ZANPSXICNBASAD-UHFFFAOYSA-N 0 0 385.489 4.267 40 0 GIABRN CCN(C(=O)c1ccc(OC)c(OC)c1)c1nnc(-c2ccccc2C)s1 ZINC000001345268 570571840 /nfs/dbraw/zinc/57/18/40/570571840.db2.gz JGGQFACYWBNVHO-UHFFFAOYSA-N 0 0 383.473 4.197 40 0 GIABRN COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)OC1CCCCC1 ZINC000001353612 570573422 /nfs/dbraw/zinc/57/34/22/570573422.db2.gz GWWQCBZTSOCXRM-UHFFFAOYSA-N 0 0 398.434 4.234 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3cccc(C)c3C)s2)cc1 ZINC000225432347 570573733 /nfs/dbraw/zinc/57/37/33/570573733.db2.gz RMKVKSWIWBWZND-AWEZNQCLSA-N 0 0 383.473 4.237 40 0 GIABRN O=C(Nc1ccc(F)cc1F)Nc1cccn(Cc2ccccc2Cl)c1=O ZINC000001354088 570573797 /nfs/dbraw/zinc/57/37/97/570573797.db2.gz NHZITFMKNLKDGW-UHFFFAOYSA-N 0 0 389.789 4.472 40 0 GIABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000225444419 570574949 /nfs/dbraw/zinc/57/49/49/570574949.db2.gz LURCNCGBOAVGPC-IBGZPJMESA-N 0 0 389.495 4.472 40 0 GIABRN Cc1occc1-c1nnc(SCC(=O)NC(C)(C)C)n1[C@@H](C)c1ccccc1 ZINC000001361178 570576168 /nfs/dbraw/zinc/57/61/68/570576168.db2.gz MHPWESYABSUTNU-AWEZNQCLSA-N 0 0 398.532 4.463 40 0 GIABRN CCOc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(C)cc4)no3)C2)cc1 ZINC000001363282 570577700 /nfs/dbraw/zinc/57/77/00/570577700.db2.gz TWRWQCXYAFPMDS-IBGZPJMESA-N 0 0 391.471 4.464 40 0 GIABRN COCCNC(=O)c1cc(N)ccc1Nc1ccc(Oc2ccccc2)cc1 ZINC000225480519 570578532 /nfs/dbraw/zinc/57/85/32/570578532.db2.gz PGSYPZQABAQASZ-UHFFFAOYSA-N 0 0 377.444 4.181 40 0 GIABRN O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)c1ccccc1F ZINC000001364692 570578541 /nfs/dbraw/zinc/57/85/41/570578541.db2.gz DWUGQCIGNXJUEY-UHFFFAOYSA-N 0 0 383.404 4.294 40 0 GIABRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CC ZINC000225488105 570579073 /nfs/dbraw/zinc/57/90/73/570579073.db2.gz WYEXGSMGWVNYQQ-OAQYLSRUSA-N 0 0 384.495 4.092 40 0 GIABRN CCC(=O)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001366576 570579639 /nfs/dbraw/zinc/57/96/39/570579639.db2.gz YCXOUMZMCKLXQQ-UHFFFAOYSA-N 0 0 378.472 4.092 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1 ZINC000225493503 570579876 /nfs/dbraw/zinc/57/98/76/570579876.db2.gz GXZFJFNLCYBCFW-KNQAVFIVSA-N 0 0 380.532 4.260 40 0 GIABRN CCn1c(-c2ccccc2)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000001463617 570581023 /nfs/dbraw/zinc/58/10/23/570581023.db2.gz OBCJXLIKIOVLKA-UHFFFAOYSA-O 0 0 391.520 4.264 40 0 GIABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000038752791 570581435 /nfs/dbraw/zinc/58/14/35/570581435.db2.gz XQSFNHXAPZHTEW-HXUWFJFHSA-N 0 0 393.483 4.373 40 0 GIABRN Cc1cccc2cc(CN(C(=O)CC(C)(C)C)C3CCCC3)c3nnnn3c12 ZINC000001376738 570581827 /nfs/dbraw/zinc/58/18/27/570581827.db2.gz LNCGXUVKNJZZOV-UHFFFAOYSA-N 0 0 379.508 4.293 40 0 GIABRN O=C(C1CCCCC1)N1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1 ZINC000001380546 570583407 /nfs/dbraw/zinc/58/34/07/570583407.db2.gz UYPMISZBXITJRL-UHFFFAOYSA-N 0 0 380.414 4.194 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225534337 570585003 /nfs/dbraw/zinc/58/50/03/570585003.db2.gz CSAQRKARGAGAIC-QGZVFWFLSA-N 0 0 386.923 4.133 40 0 GIABRN CSc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1NC(C)=O ZINC000225543196 570586667 /nfs/dbraw/zinc/58/66/67/570586667.db2.gz NNESRWKIKASGMW-UHFFFAOYSA-N 0 0 386.498 4.321 40 0 GIABRN Cc1nccn1Cc1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000038836929 570587165 /nfs/dbraw/zinc/58/71/65/570587165.db2.gz YPKCELWVZHKHMH-UHFFFAOYSA-N 0 0 385.920 4.415 40 0 GIABRN COc1cccc(CCCNC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)c1 ZINC000225554775 570587604 /nfs/dbraw/zinc/58/76/04/570587604.db2.gz KXVUGTKBWLKGAC-UHFFFAOYSA-N 0 0 397.544 4.050 40 0 GIABRN Cc1cccc(N(CCCC(=O)Nc2c(C)cc(C)cc2C)S(C)(=O)=O)c1 ZINC000008478722 570589220 /nfs/dbraw/zinc/58/92/20/570589220.db2.gz TWFQFQBOUBBFND-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN Cc1ccc(N(CCCC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)cc1 ZINC000008478992 570589427 /nfs/dbraw/zinc/58/94/27/570589427.db2.gz RAWTWDZQTOIBMX-UHFFFAOYSA-N 0 0 388.533 4.303 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 ZINC000225584880 570591411 /nfs/dbraw/zinc/59/14/11/570591411.db2.gz AIFWCVUYYAFFIS-GCJKJVERSA-N 0 0 398.522 4.399 40 0 GIABRN Cc1c(Cl)cccc1NC(=O)C[C@@H]1C(=O)N(C2CC2)c2nc3ccccc3n21 ZINC000039964148 570594675 /nfs/dbraw/zinc/59/46/75/570594675.db2.gz CXRSWWRTEFRHTK-GOSISDBHSA-N 0 0 394.862 4.077 40 0 GIABRN CCCCNC(=O)c1ccccc1NC(=O)Cc1cccc(Br)c1 ZINC000225616526 570594723 /nfs/dbraw/zinc/59/47/23/570594723.db2.gz OYUWOVMCRGYBNN-UHFFFAOYSA-N 0 0 389.293 4.160 40 0 GIABRN Cc1ccc(NC(=O)Cc2cccc(Br)c2)cc1N1CCCC1=O ZINC000225621524 570595217 /nfs/dbraw/zinc/59/52/17/570595217.db2.gz FRRMUMCOLOCCOQ-UHFFFAOYSA-N 0 0 387.277 4.066 40 0 GIABRN CC[C@H](CNC(=S)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1 ZINC000225632679 570596476 /nfs/dbraw/zinc/59/64/76/570596476.db2.gz XKHVCNBYZZXJMJ-KRWDZBQOSA-N 0 0 381.545 4.369 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)N[C@@H](C)COc2ccccc2C)c1C ZINC000225636600 570597014 /nfs/dbraw/zinc/59/70/14/570597014.db2.gz COGLRAIUCLGMOT-HNNXBMFYSA-N 0 0 386.517 4.234 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000225642799 570597233 /nfs/dbraw/zinc/59/72/33/570597233.db2.gz OIIRJBPXSHQZSF-UWJYYQICSA-N 0 0 384.495 4.090 40 0 GIABRN Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000225643129 570597819 /nfs/dbraw/zinc/59/78/19/570597819.db2.gz PDDQHYYARIVIGJ-QGZVFWFLSA-N 0 0 397.544 4.184 40 0 GIABRN CC(C)(C)c1ccc(C(=O)N2c3ccccc3C(=O)N3CCCC[C@@H]3C2=O)cc1 ZINC000040386354 570598898 /nfs/dbraw/zinc/59/88/98/570598898.db2.gz VUZOUIHFTASTTN-HXUWFJFHSA-N 0 0 390.483 4.166 40 0 GIABRN Cc1ccccc1C=Cc1ccnc2nc(N3CCc4ccccc4C3)[nH]c(=O)c12 ZINC000040388520 570599672 /nfs/dbraw/zinc/59/96/72/570599672.db2.gz VFYOPEZDFXBFFH-ZHACJKMWSA-N 0 0 394.478 4.360 40 0 GIABRN COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc3c(c1)OCO3)CC(C)(C)O2 ZINC000225681997 570602493 /nfs/dbraw/zinc/60/24/93/570602493.db2.gz KZKLBPGNVHDHNA-HNNXBMFYSA-N 0 0 386.473 4.013 40 0 GIABRN CCc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1 ZINC000225703432 570606016 /nfs/dbraw/zinc/60/60/16/570606016.db2.gz GMWSEGRWHRKAFJ-UHFFFAOYSA-N 0 0 376.503 4.007 40 0 GIABRN O=C(N[C@H]1CC2(CCOCC2)Oc2ccccc21)c1nsc(Cl)c1Cl ZINC000012086944 570606172 /nfs/dbraw/zinc/60/61/72/570606172.db2.gz BLPZSFBNWKVNCM-NSHDSACASA-N 0 0 399.299 4.253 40 0 GIABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C ZINC000225705715 570606555 /nfs/dbraw/zinc/60/65/55/570606555.db2.gz LSYHLXLTHUAPDF-UHFFFAOYSA-N 0 0 396.921 4.407 40 0 GIABRN C[C@H](Nc1c2c(nc3cc(C4CCOCC4)nn31)CCCC2)c1ccccn1 ZINC000012088787 570607300 /nfs/dbraw/zinc/60/73/00/570607300.db2.gz FDCXYOPMSZJKBT-HNNXBMFYSA-N 0 0 377.492 4.070 40 0 GIABRN CC[C@H](NC(=S)Nc1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 ZINC000225718506 570608377 /nfs/dbraw/zinc/60/83/77/570608377.db2.gz BZDHXFIPQMVZMQ-HNNXBMFYSA-N 0 0 390.505 4.159 40 0 GIABRN C[C@@H](NC(=O)Cn1ccc(=O)c2cc(Cl)ccc21)c1ccc(Cl)cc1 ZINC000225725689 570609419 /nfs/dbraw/zinc/60/94/19/570609419.db2.gz SVICHFGACQBRFD-GFCCVEGCSA-N 0 0 375.255 4.186 40 0 GIABRN Fc1ccc(-c2nc3cnccn3c2NCc2ccc3c(c2)OCO3)cc1F ZINC000012113826 570609494 /nfs/dbraw/zinc/60/94/94/570609494.db2.gz JITAZZUHDAEVNS-UHFFFAOYSA-N 0 0 380.354 4.015 40 0 GIABRN COc1cccc(CC(=O)N[C@H](CC(C)C)c2nc3cccnc3n2C(C)C)c1 ZINC000012114113 570609505 /nfs/dbraw/zinc/60/95/05/570609505.db2.gz UFCCGXBTDUFBDY-HXUWFJFHSA-N 0 0 394.519 4.467 40 0 GIABRN CC(C)(C(=O)N1CCC[C@@H]1c1nc(-c2cccnc2)n[nH]1)c1ccc(Cl)cc1 ZINC000012115777 570610656 /nfs/dbraw/zinc/61/06/56/570610656.db2.gz YJNAFHHUDNSESM-QGZVFWFLSA-N 0 0 395.894 4.161 40 0 GIABRN COc1ccc(CN(Cc2ccco2)Cc2cccnc2)cc1Cn1ccnc1 ZINC000012116536 570611399 /nfs/dbraw/zinc/61/13/99/570611399.db2.gz MEFPGNQLJVEEME-UHFFFAOYSA-N 0 0 388.471 4.130 40 0 GIABRN Cc1cc(C)c(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)c(C)c1 ZINC000225742198 570611982 /nfs/dbraw/zinc/61/19/82/570611982.db2.gz JVBMZUAIXOSFBH-UHFFFAOYSA-N 0 0 399.288 4.328 40 0 GIABRN O=C(Cc1ccc(Cl)cc1)N1CCC[C@H](c2ccnc(-c3ccncc3)n2)C1 ZINC000012119341 570612658 /nfs/dbraw/zinc/61/26/58/570612658.db2.gz ZNZCQFCXSGQTCF-SFHVURJKSA-N 0 0 392.890 4.141 40 0 GIABRN COc1ccc([N-]S(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1Cl ZINC000225752000 570613286 /nfs/dbraw/zinc/61/32/86/570613286.db2.gz LGYCWDQJLHWFNJ-UHFFFAOYSA-N 0 0 381.881 4.037 40 0 GIABRN O=C(COc1cccc2c1CCCC2)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000225769037 570615229 /nfs/dbraw/zinc/61/52/29/570615229.db2.gz XHMLQTDCBYSXIT-UHFFFAOYSA-N 0 0 392.499 4.209 40 0 GIABRN CC(=O)N1CCc2cc(NCc3cc(-c4ccc(Cl)cc4)c[nH]c3=O)ccc21 ZINC000012144107 570615484 /nfs/dbraw/zinc/61/54/84/570615484.db2.gz DGUSFXXURADKKZ-UHFFFAOYSA-N 0 0 393.874 4.216 40 0 GIABRN COc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1C ZINC000012143808 570615518 /nfs/dbraw/zinc/61/55/18/570615518.db2.gz KBDDBMVTEKFELL-LJQANCHMSA-N 0 0 391.471 4.207 40 0 GIABRN O=C(c1snnc1-c1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000225780681 570616748 /nfs/dbraw/zinc/61/67/48/570616748.db2.gz MQBZMWUQWDUKJO-UHFFFAOYSA-N 0 0 381.476 4.439 40 0 GIABRN Cc1ccc(OC[C@@H](C)NC(=S)Nc2cccc(N3CCCC3=O)c2)cc1C ZINC000225791688 570617621 /nfs/dbraw/zinc/61/76/21/570617621.db2.gz KZZBSUZRLCBRDF-QGZVFWFLSA-N 0 0 397.544 4.184 40 0 GIABRN CCCCNC(=S)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000004132589 570617768 /nfs/dbraw/zinc/61/77/68/570617768.db2.gz ABBXLOORHQHRNC-UHFFFAOYSA-N 0 0 397.544 4.415 40 0 GIABRN COCCCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccccc1 ZINC000004161265 570619795 /nfs/dbraw/zinc/61/97/95/570619795.db2.gz ULNYTGYHIHTXFT-UHFFFAOYSA-N 0 0 396.516 4.021 40 0 GIABRN CCn1c2cc(C)oc2c2cnn(Cc3ccccc3C(F)(F)F)c(=O)c21 ZINC000012183671 570619902 /nfs/dbraw/zinc/61/99/02/570619902.db2.gz QLNJCOGBKDLGME-UHFFFAOYSA-N 0 0 375.350 4.340 40 0 GIABRN CC(C)C(=O)N[C@@H](c1nccs1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000012183358 570619961 /nfs/dbraw/zinc/61/99/61/570619961.db2.gz AYHAEPGWFHROQG-MAUKXSAKSA-N 0 0 393.503 4.147 40 0 GIABRN O=C(NCc1cccs1)[C@]12CCC[C@H]1N(C(=O)c1ccccc1F)CC=CC2 ZINC000012183495 570619999 /nfs/dbraw/zinc/61/99/99/570619999.db2.gz XHSDFDSEZKFNRY-DENIHFKCSA-N 0 0 398.503 4.145 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCCc2ccc(F)cc2)cc1C(C)C ZINC000225814153 570620777 /nfs/dbraw/zinc/62/07/77/570620777.db2.gz QMRLYIMMCCEYLN-UHFFFAOYSA-N 0 0 379.497 4.177 40 0 GIABRN CCOC(=O)c1cc(NC(=O)C2(OCC)CCCCC2)ccc1OC(C)C ZINC000225829733 570623017 /nfs/dbraw/zinc/62/30/17/570623017.db2.gz HPDFBGNMLZYQDC-UHFFFAOYSA-N 0 0 377.481 4.328 40 0 GIABRN CCO[C@]1(C(=O)Nc2ccc(OC(C)C)c(C(=O)OC)c2)CCC[C@@H](C)C1 ZINC000225831425 570623526 /nfs/dbraw/zinc/62/35/26/570623526.db2.gz SEBNQZKMUFLESD-QVKFZJNVSA-N 0 0 377.481 4.184 40 0 GIABRN CCCCOc1ccc(NC(=O)C2(OCCC)CCCC2)cc1C(=O)OC ZINC000225849615 570626162 /nfs/dbraw/zinc/62/61/62/570626162.db2.gz PQMWIWXSBOAQEB-UHFFFAOYSA-N 0 0 377.481 4.330 40 0 GIABRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000225851089 570626197 /nfs/dbraw/zinc/62/61/97/570626197.db2.gz CHNXGKRQSHOWQK-QAIWHXNASA-N 0 0 392.430 4.375 40 0 GIABRN CC(C)C(=O)N1CCCc2cc(-c3csc(NC[C@H]4CCCO4)n3)ccc21 ZINC000012220069 570627576 /nfs/dbraw/zinc/62/75/76/570627576.db2.gz RENORBDJNICKQM-QGZVFWFLSA-N 0 0 385.533 4.336 40 0 GIABRN C[C@H](C(=O)N[C@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21)c1ccccc1 ZINC000012220872 570627628 /nfs/dbraw/zinc/62/76/28/570627628.db2.gz YRAZIAADJLTQPK-KKSFZXQISA-N 0 0 386.499 4.472 40 0 GIABRN CCOCCOc1ncc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1C ZINC000225864883 570628475 /nfs/dbraw/zinc/62/84/75/570628475.db2.gz PDHXIVZEEHAUQP-UHFFFAOYSA-N 0 0 398.503 4.264 40 0 GIABRN Cc1oc2ncn3nc([C@@H](NC(=O)[C@@H](C)c4ccccc4)C(C)C)nc3c2c1C ZINC000012236122 570629340 /nfs/dbraw/zinc/62/93/40/570629340.db2.gz VEZJQMNNPSBMEP-KSSFIOAISA-N 0 0 391.475 4.104 40 0 GIABRN CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC000012238708 570629478 /nfs/dbraw/zinc/62/94/78/570629478.db2.gz OSWYWOMVZHXGRN-IBGZPJMESA-N 0 0 376.435 4.121 40 0 GIABRN CCCN(CCC)C(=O)c1cc2c(n(-c3ccccc3)c1=O)CC(C)(C)CC2=O ZINC000004560528 570630265 /nfs/dbraw/zinc/63/02/65/570630265.db2.gz YHJNTGWOIQWZLK-UHFFFAOYSA-N 0 0 394.515 4.255 40 0 GIABRN COc1ccc(-c2nnsc2C(=O)NCc2cccc3ccccc32)cc1 ZINC000225887273 570630948 /nfs/dbraw/zinc/63/09/48/570630948.db2.gz CRPXFIMNLFODFA-UHFFFAOYSA-N 0 0 375.453 4.297 40 0 GIABRN CCOC(=O)COc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 ZINC000225931204 570634354 /nfs/dbraw/zinc/63/43/54/570634354.db2.gz CUDWAHOFZKOUDM-UHFFFAOYSA-N 0 0 381.472 4.469 40 0 GIABRN CN(C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)C1CCCCC1 ZINC000044844832 570634814 /nfs/dbraw/zinc/63/48/14/570634814.db2.gz FYUDQVPMBSBVEA-JOCHJYFZSA-N 0 0 398.528 4.459 40 0 GIABRN CCN(CC(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1cc(C)ccc1C ZINC000225933255 570634809 /nfs/dbraw/zinc/63/48/09/570634809.db2.gz BAEMHMZKKSFEMG-UHFFFAOYSA-N 0 0 388.533 4.076 40 0 GIABRN CCC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000044843798 570634972 /nfs/dbraw/zinc/63/49/72/570634972.db2.gz CFNMXSYRZFICTG-AWEZNQCLSA-N 0 0 394.924 4.368 40 0 GIABRN COc1ccc(SCC(=O)NCCCc2ccccc2Cl)cc1OC ZINC000044848364 570635595 /nfs/dbraw/zinc/63/55/95/570635595.db2.gz OOCQRAIEFBLTSL-UHFFFAOYSA-N 0 0 379.909 4.198 40 0 GIABRN CC(C)COc1ccc(NC(=O)C2(C)COC(C)(C)OC2)cc1C(F)(F)F ZINC000225953789 570636389 /nfs/dbraw/zinc/63/63/89/570636389.db2.gz WDYLSNLJNMKHAP-UHFFFAOYSA-N 0 0 389.414 4.468 40 0 GIABRN Cc1ccc(C)c(NC(=O)CCNC(=O)c2ccc3nc(Cl)sc3c2)c1 ZINC000225979586 570637692 /nfs/dbraw/zinc/63/76/92/570637692.db2.gz SWRNYBKHOOFNIF-UHFFFAOYSA-N 0 0 387.892 4.325 40 0 GIABRN CCc1ccccc1NC(=S)N1CCC(NC(=O)c2cccc(C)c2)CC1 ZINC000004857565 570638711 /nfs/dbraw/zinc/63/87/11/570638711.db2.gz KHGAMWRWHCWIEW-UHFFFAOYSA-N 0 0 381.545 4.149 40 0 GIABRN CCCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccncc1 ZINC000004860964 570640949 /nfs/dbraw/zinc/64/09/49/570640949.db2.gz XGXSHGZRFIDXJU-MRXNPFEDSA-N 0 0 395.532 4.486 40 0 GIABRN CC(C)Oc1cccc(CCCNC(=O)c2ccc(Cn3ccnc3)cc2)c1 ZINC000044916258 570642994 /nfs/dbraw/zinc/64/29/94/570642994.db2.gz PDSMZDFEEQEBAI-UHFFFAOYSA-N 0 0 377.488 4.081 40 0 GIABRN Cc1cccc(C2(O)CCN(C(=O)Cc3coc4cc(C)c(C)cc34)CC2)c1 ZINC000012325331 570643309 /nfs/dbraw/zinc/64/33/09/570643309.db2.gz ZVQOSROXYCWGLR-UHFFFAOYSA-N 0 0 377.484 4.411 40 0 GIABRN O=C(NC1CCN(C(=S)Nc2cccc(Cl)c2)CC1)c1cccc(F)c1 ZINC000004888661 570643675 /nfs/dbraw/zinc/64/36/75/570643675.db2.gz ROIFOOOYKLCICI-UHFFFAOYSA-N 0 0 391.899 4.070 40 0 GIABRN COc1ccc(OC)c(NC(=O)CSCc2cccc(Br)c2)c1 ZINC000032794351 570643977 /nfs/dbraw/zinc/64/39/77/570643977.db2.gz MDIITOMNABJJEL-UHFFFAOYSA-N 0 0 396.306 4.338 40 0 GIABRN Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H]1CCCN1C(=O)C1CCC1 ZINC000012337999 570645262 /nfs/dbraw/zinc/64/52/62/570645262.db2.gz PQTAQHBYFSAOBF-OAHLLOKOSA-N 0 0 392.421 4.120 40 0 GIABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000033572063 570645589 /nfs/dbraw/zinc/64/55/89/570645589.db2.gz AAGKZJKVANIOFD-OAQYLSRUSA-N 0 0 392.455 4.314 40 0 GIABRN O=C(NCC(F)F)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1 ZINC000012366604 570647076 /nfs/dbraw/zinc/64/70/76/570647076.db2.gz SMPKCXZOKMKBNX-UHFFFAOYSA-N 0 0 395.396 4.352 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 ZINC000059132882 570650147 /nfs/dbraw/zinc/65/01/47/570650147.db2.gz QQZDFKBOZCYFSF-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN COc1ccc(C(=O)CSc2nnc(-c3ccoc3)c(-c3ccoc3)n2)cc1 ZINC000004993624 570650562 /nfs/dbraw/zinc/65/05/62/570650562.db2.gz KUAUXNWLPJUFAF-UHFFFAOYSA-N 0 0 393.424 4.375 40 0 GIABRN O=C(N[C@H]1CCc2ccccc21)c1ccc2c(c1)[nH]c(=O)n2C1CCCCC1 ZINC000005001819 570651726 /nfs/dbraw/zinc/65/17/26/570651726.db2.gz JTABQZDARWAMJW-IBGZPJMESA-N 0 0 375.472 4.252 40 0 GIABRN COc1ccc(NC(=O)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000004965491 570653904 /nfs/dbraw/zinc/65/39/04/570653904.db2.gz FYIUTAUGQOCIEH-UHFFFAOYSA-N 0 0 387.867 4.231 40 0 GIABRN O=C(CSc1nnc2scc(-c3ccc(F)cc3)n12)NC1CCCCC1 ZINC000004967165 570654202 /nfs/dbraw/zinc/65/42/02/570654202.db2.gz BBWUIYMVRHQODL-UHFFFAOYSA-N 0 0 390.509 4.138 40 0 GIABRN O=S(=O)(NC1CCCC1)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000059475315 570657901 /nfs/dbraw/zinc/65/79/01/570657901.db2.gz WZRNJHQNQBKPBQ-UHFFFAOYSA-N 0 0 396.306 4.462 40 0 GIABRN Cc1sc2[nH]c(SCC(=O)Nc3cccc4ccccc43)nc(=O)c2c1C ZINC000005237749 570660622 /nfs/dbraw/zinc/66/06/22/570660622.db2.gz LAQNCAFMIPRUGW-UHFFFAOYSA-N 0 0 395.509 4.485 40 0 GIABRN Brc1ccc2c(c1)C(c1ccncc1)=NNC(c1ccccc1)=N2 ZINC000006446102 570669436 /nfs/dbraw/zinc/66/94/36/570669436.db2.gz UXBQOKPGFLELCU-UHFFFAOYSA-N 0 0 377.245 4.278 40 0 GIABRN Cc1cc(Cl)cc(Br)c1OCc1nnc([C@@H]2CCCOC2)o1 ZINC000643651848 570670774 /nfs/dbraw/zinc/67/07/74/570670774.db2.gz WXUXAGHDZCECGX-SNVBAGLBSA-N 0 0 387.661 4.267 40 0 GIABRN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cccc(O)c1)S[C@@H](C)C(=O)N2 ZINC000006679054 570673196 /nfs/dbraw/zinc/67/31/96/570673196.db2.gz ZWNJSFAIHDFWSJ-IFXJQAMLSA-N 0 0 379.485 4.358 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@H]3c2ccccc2)cc1 ZINC000006679264 570673448 /nfs/dbraw/zinc/67/34/48/570673448.db2.gz FTXOXDNKTQEHJO-KUHUBIRLSA-N 0 0 379.485 4.353 40 0 GIABRN COc1cccc([C@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)c1 ZINC000006679173 570673512 /nfs/dbraw/zinc/67/35/12/570673512.db2.gz PYDDQNXLVTYWPI-BFUOFWGJSA-N 0 0 397.475 4.492 40 0 GIABRN Cc1ccc(CNS(=O)(=O)c2cc(Cl)c(C)cc2Br)cc1 ZINC000054363187 570677720 /nfs/dbraw/zinc/67/77/20/570677720.db2.gz WTXRWKQZSNTDDP-UHFFFAOYSA-N 0 0 388.714 4.198 40 0 GIABRN Cc1cc(Br)c(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1Cl ZINC000054363162 570677785 /nfs/dbraw/zinc/67/77/85/570677785.db2.gz VYBIHVUIJJLWFM-AOOOYVTPSA-N 0 0 380.735 4.078 40 0 GIABRN CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(C)ccc1C ZINC000408992192 570690572 /nfs/dbraw/zinc/69/05/72/570690572.db2.gz SIHJLAJBGKBYPP-HXUWFJFHSA-N 0 0 379.460 4.081 40 0 GIABRN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000055648302 570698241 /nfs/dbraw/zinc/69/82/41/570698241.db2.gz DCQYHXWOTUDETE-UHFFFAOYSA-N 0 0 380.897 4.059 40 0 GIABRN CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C)cc2)cc1 ZINC000409103575 570698334 /nfs/dbraw/zinc/69/83/34/570698334.db2.gz CKCHGOGYLFQPQI-UHFFFAOYSA-N 0 0 382.489 4.014 40 0 GIABRN CC(C)NC(=S)Nc1nc(Oc2ccccc2)cc(N2CCC[C@H](C)C2)n1 ZINC000260742547 570702577 /nfs/dbraw/zinc/70/25/77/570702577.db2.gz XIBUWFFALFZCLY-HNNXBMFYSA-N 0 0 385.537 4.200 40 0 GIABRN COc1ccc(CN(Cc2cncn2Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000057811321 570704514 /nfs/dbraw/zinc/70/45/14/570704514.db2.gz NLLMYRKOOGQSLH-DEOSSOPVSA-N 0 0 391.515 4.121 40 0 GIABRN COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1 ZINC000260781582 570705571 /nfs/dbraw/zinc/70/55/71/570705571.db2.gz TWIDZZDPIISSGL-IPHXSNPTSA-N 0 0 390.512 4.470 40 0 GIABRN CCOc1ccc2nc3sc(C(=O)Nc4ncc(C)s4)c(N)c3cc2c1 ZINC000000917086 570726024 /nfs/dbraw/zinc/72/60/24/570726024.db2.gz NHWDZEVHJAUALH-UHFFFAOYSA-N 0 0 384.486 4.448 40 0 GIABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000059351867 570737878 /nfs/dbraw/zinc/73/78/78/570737878.db2.gz UPQMFWBKQGHONP-DYVFJYSZSA-N 0 0 377.868 4.392 40 0 GIABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000059351869 570737932 /nfs/dbraw/zinc/73/79/32/570737932.db2.gz UPQMFWBKQGHONP-CXAGYDPISA-N 0 0 377.868 4.392 40 0 GIABRN CC(C)c1ccc(OCC(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000006365135 570741666 /nfs/dbraw/zinc/74/16/66/570741666.db2.gz BBGCCBLPTOLVJP-UHFFFAOYSA-N 0 0 386.561 4.148 40 0 GIABRN O=C(Nc1ccccc1N1CCCC1)c1ccc(I)cc1 ZINC000006615683 570747857 /nfs/dbraw/zinc/74/78/57/570747857.db2.gz NMOPQKPZCLTRGD-UHFFFAOYSA-N 0 0 392.240 4.144 40 0 GIABRN COc1ccc(-c2n(O)c(-c3ccccc3)c(-c3ccccc3)[n+]2[O-])c(OC)c1 ZINC000006642168 570748408 /nfs/dbraw/zinc/74/84/08/570748408.db2.gz QQSKJOBWDGILTD-UHFFFAOYSA-N 0 0 388.423 4.377 40 0 GIABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccccc2F)cc1 ZINC000006630419 570748544 /nfs/dbraw/zinc/74/85/44/570748544.db2.gz MVSMSINUWVWFFS-UHFFFAOYSA-N 0 0 378.403 4.244 40 0 GIABRN Cc1c(C=O)c2ccccc2n1CC(=O)Nc1ccc(Br)cc1C ZINC000006714543 570750139 /nfs/dbraw/zinc/75/01/39/570750139.db2.gz ZDQVEQOHYOFBKG-UHFFFAOYSA-N 0 0 385.261 4.472 40 0 GIABRN CC(C)COc1ccc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000006762316 570750493 /nfs/dbraw/zinc/75/04/93/570750493.db2.gz MJNXRBYSKDVKLJ-UHFFFAOYSA-N 0 0 386.561 4.295 40 0 GIABRN Cc1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4cnccn4)ncc32)sc1C ZINC000013226757 570750544 /nfs/dbraw/zinc/75/05/44/570750544.db2.gz RMULWUKAUWWYLI-INIZCTEOSA-N 0 0 393.516 4.055 40 0 GIABRN O=C(Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1)c1ccco1 ZINC000013266379 570751962 /nfs/dbraw/zinc/75/19/62/570751962.db2.gz QMDFSZYAHCHWOB-UHFFFAOYSA-N 0 0 393.468 4.345 40 0 GIABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2cccc(C)c2)cc1 ZINC000006967177 570754566 /nfs/dbraw/zinc/75/45/66/570754566.db2.gz IZOKVXGEMBNQMZ-UHFFFAOYSA-N 0 0 392.528 4.063 40 0 GIABRN COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000007057098 570756455 /nfs/dbraw/zinc/75/64/55/570756455.db2.gz IVPQVLNWBKXZFO-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)cc1 ZINC000007235898 570757284 /nfs/dbraw/zinc/75/72/84/570757284.db2.gz KBBWMWGVBMBKBV-UHFFFAOYSA-N 0 0 384.480 4.475 40 0 GIABRN CC(C)c1ccc(/C=c2\sc3nnc(-c4ccc(Cl)cc4)n3c2=O)cc1 ZINC000013547090 570757467 /nfs/dbraw/zinc/75/74/67/570757467.db2.gz NTDRSVQGALDZAQ-BOPFTXTBSA-N 0 0 381.888 4.143 40 0 GIABRN Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000007609662 570761278 /nfs/dbraw/zinc/76/12/78/570761278.db2.gz UYNPJYRQMLNVPS-UHFFFAOYSA-N 0 0 392.908 4.075 40 0 GIABRN CCc1ccccc1N1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O ZINC000007881977 570762924 /nfs/dbraw/zinc/76/29/24/570762924.db2.gz CMMIQXABUDIEFA-CQSZACIVSA-N 0 0 376.378 4.259 40 0 GIABRN Cc1ccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1C ZINC000008041133 570763667 /nfs/dbraw/zinc/76/36/67/570763667.db2.gz JAGJZNILFAFBOO-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN COc1cc(NC(=O)C(F)(F)F)ccc1NC(=O)c1cc2ccccc2o1 ZINC000008071185 570763991 /nfs/dbraw/zinc/76/39/91/570763991.db2.gz IGMCKINYDPKNHC-UHFFFAOYSA-N 0 0 378.306 4.195 40 0 GIABRN COc1ccc(O)c([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)C(C)C)c1 ZINC000257229282 570764735 /nfs/dbraw/zinc/76/47/35/570764735.db2.gz FXMBCSDVBNEPPY-LYGIZKNFSA-N 0 0 387.520 4.055 40 0 GIABRN COC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc(Br)c1 ZINC000013634796 570764814 /nfs/dbraw/zinc/76/48/14/570764814.db2.gz GRNHDNQAGOSKOF-QGZVFWFLSA-N 0 0 398.260 4.261 40 0 GIABRN COCCC(=O)N[C@@]1(C)C[C@H](c2ccc(F)c(F)c2)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257229850 570765086 /nfs/dbraw/zinc/76/50/86/570765086.db2.gz FZSBNFWPUSRQCA-CKMSOXPYSA-N 0 0 381.463 4.142 40 0 GIABRN COc1ccc(C)cc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000008033358 570765392 /nfs/dbraw/zinc/76/53/92/570765392.db2.gz FBEPLCYFFWYDBN-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN CC(C)(C)OC(=O)N1CCC[C@@]12CO[C@H]1c3cccc(O)c3OC(C)(C)[C@@H]1C2 ZINC000257239372 570767391 /nfs/dbraw/zinc/76/73/91/570767391.db2.gz HOZCNJJGMJTQTR-ULYRPOKDSA-N 0 0 389.492 4.411 40 0 GIABRN COCCCNC(=O)Cc1ccc2c(c1)C[C@](C)(Cc1ccc(C(C)C)cc1)O2 ZINC000257239229 570767575 /nfs/dbraw/zinc/76/75/75/570767575.db2.gz HONGRBMTDVJRLQ-VWLOTQADSA-N 0 0 395.543 4.442 40 0 GIABRN CCOc1cc(CNn2c(CC)n[nH]c2=S)ccc1OCc1ccccc1 ZINC000008339172 570768213 /nfs/dbraw/zinc/76/82/13/570768213.db2.gz UUTRWKVJBPCFHE-UHFFFAOYSA-N 0 0 384.505 4.224 40 0 GIABRN CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000008480688 570769203 /nfs/dbraw/zinc/76/92/03/570769203.db2.gz TVDYJZYXXZHPNA-UHFFFAOYSA-N 0 0 380.488 4.238 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc1 ZINC000013669759 570770363 /nfs/dbraw/zinc/77/03/63/570770363.db2.gz MNQJRMFDFWHYJM-UHFFFAOYSA-N 0 0 380.469 4.072 40 0 GIABRN CCCCc1nnc(SCCCOc2c(C=O)cccc2OC)n1CC ZINC000008731780 570772003 /nfs/dbraw/zinc/77/20/03/570772003.db2.gz FCNXULIFUIWXFD-UHFFFAOYSA-N 0 0 377.510 4.023 40 0 GIABRN C[C@@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013676555 570772184 /nfs/dbraw/zinc/77/21/84/570772184.db2.gz IKUWYHMATKVYNC-GOSISDBHSA-N 0 0 380.532 4.307 40 0 GIABRN CCN(c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)S(C)(=O)=O ZINC000013679403 570773108 /nfs/dbraw/zinc/77/31/08/570773108.db2.gz YQQNIVBHHLTBAC-UHFFFAOYSA-N 0 0 387.288 4.032 40 0 GIABRN COCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1Cl ZINC000065730034 570774307 /nfs/dbraw/zinc/77/43/07/570774307.db2.gz KDWGBPCDIXBOGA-UHFFFAOYSA-N 0 0 389.879 4.052 40 0 GIABRN O=S(=O)(Cc1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1 ZINC000009694919 570776645 /nfs/dbraw/zinc/77/66/45/570776645.db2.gz SCMFVISXRNNWKB-UHFFFAOYSA-N 0 0 390.357 4.346 40 0 GIABRN CC[C@@H](C(=O)Nc1cccc(C)c1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712088 570777919 /nfs/dbraw/zinc/77/79/19/570777919.db2.gz RYPSELGLKKNREY-SFHVURJKSA-N 0 0 394.924 4.140 40 0 GIABRN COc1cc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)cc(OC)c1OC ZINC000010120221 570783328 /nfs/dbraw/zinc/78/33/28/570783328.db2.gz ZKJGLMYDMRXEHQ-UHFFFAOYSA-N 0 0 394.383 4.366 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010333364 570788303 /nfs/dbraw/zinc/78/83/03/570788303.db2.gz NICMHMPKJFSBCD-GOSISDBHSA-N 0 0 393.531 4.453 40 0 GIABRN Cc1ccc(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)c(C)c1 ZINC000010335241 570788357 /nfs/dbraw/zinc/78/83/57/570788357.db2.gz RQAZKDHFXAWJRC-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN O=C(NC1CCCCCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010329879 570789175 /nfs/dbraw/zinc/78/91/75/570789175.db2.gz IRTNBZIKMBVXGB-UHFFFAOYSA-N 0 0 386.517 4.330 40 0 GIABRN Cc1ccccc1Cn1c2ccccc2c(=O)n(-c2cccc(Cl)c2)c1=O ZINC000010338789 570789191 /nfs/dbraw/zinc/78/91/91/570789191.db2.gz ZWGSJKMSNBWTBD-UHFFFAOYSA-N 0 0 376.843 4.163 40 0 GIABRN CC(C)Oc1ccc(CCCNS(=O)(=O)Cc2c(F)cccc2Cl)cc1 ZINC000010543382 570792057 /nfs/dbraw/zinc/79/20/57/570792057.db2.gz ODRZPQODMSSKQS-UHFFFAOYSA-N 0 0 399.915 4.319 40 0 GIABRN CC[C@H](Sc1nc(=O)c2c3c(sc2[nH]1)CCCC3)C(=O)Nc1ccccc1 ZINC000011259381 570794439 /nfs/dbraw/zinc/79/44/39/570794439.db2.gz ZRXXIOSDXUUBJZ-AWEZNQCLSA-N 0 0 399.541 4.373 40 0 GIABRN COc1ccccc1NC(=O)NC1(C(=O)N2C[C@H](C)C[C@H](C)C2)CCCCC1 ZINC000013563178 570852443 /nfs/dbraw/zinc/85/24/43/570852443.db2.gz KOUBUACVEKPXEJ-CALCHBBNSA-N 0 0 387.524 4.024 40 0 GIABRN O=C(Cc1cccs1)N[C@H]1CCCc2c1cnn2Cc1cccc(Cl)c1 ZINC000013992466 570868740 /nfs/dbraw/zinc/86/87/40/570868740.db2.gz FTWCEPGVLALBFN-SFHVURJKSA-N 0 0 385.920 4.383 40 0 GIABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 ZINC000014002897 570875293 /nfs/dbraw/zinc/87/52/93/570875293.db2.gz XJMMTBAWGAVJPA-GOSISDBHSA-N 0 0 380.488 4.417 40 0 GIABRN Cc1ccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C)n2C)cc1 ZINC000014117112 570876735 /nfs/dbraw/zinc/87/67/35/570876735.db2.gz INDGXFSPCULYCT-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3C)n2C)c1C ZINC000014126259 570876767 /nfs/dbraw/zinc/87/67/67/570876767.db2.gz GIBKXRFUHSIZHF-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN O=C(CCCc1nc2ccccc2s1)N1CCC(C(=O)c2nccs2)CC1 ZINC000072334829 570879668 /nfs/dbraw/zinc/87/96/68/570879668.db2.gz XJDSHUSAYAPEIP-UHFFFAOYSA-N 0 0 399.541 4.197 40 0 GIABRN CCCC(=O)Nc1cccc(Cl)c1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000014291186 570881576 /nfs/dbraw/zinc/88/15/76/570881576.db2.gz QKDSDDBHTBVKEA-UHFFFAOYSA-N 0 0 399.922 4.349 40 0 GIABRN C[C@H]1[C@H](c2ccc3c(c2)OCO3)c2cc3c(cc2O[C@@H]1N1CCCCC1)OCO3 ZINC000073312364 570884817 /nfs/dbraw/zinc/88/48/17/570884817.db2.gz BZKPASBEIZXLFA-SBQFXOPASA-N 0 0 395.455 4.116 40 0 GIABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccs3)C2=O)cc1Cl ZINC000208281738 570892263 /nfs/dbraw/zinc/89/22/63/570892263.db2.gz FLQSXTXBOJQSBN-RIYZIHGNSA-N 0 0 392.889 4.385 40 0 GIABRN COc1cc(NC(=O)c2cccc(C)c2)ccc1N1C(=O)c2ccccc2C1=O ZINC000017078801 570917764 /nfs/dbraw/zinc/91/77/64/570917764.db2.gz GSZFZEANWBOCEX-UHFFFAOYSA-N 0 0 386.407 4.057 40 0 GIABRN Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H](CNC(=O)c3ccc(C)cc3)C2)cc1 ZINC000016291993 570921104 /nfs/dbraw/zinc/92/11/04/570921104.db2.gz CVOMZMRLIXSBKE-WOJBJXKFSA-N 0 0 378.516 4.270 40 0 GIABRN Oc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCc3ccccc3C2)cc1 ZINC000019375352 570924896 /nfs/dbraw/zinc/92/48/96/570924896.db2.gz YNAXAHORLVBKQN-JOCHJYFZSA-N 0 0 389.503 4.032 40 0 GIABRN CCCC12CN3CC(CCC)(CN(C1)C3c1ccc(Br)cc1)C2O ZINC000019326263 570925360 /nfs/dbraw/zinc/92/53/60/570925360.db2.gz OSSMGNJSMCWQBV-UHFFFAOYSA-N 0 0 393.369 4.026 40 0 GIABRN Cc1cc(C)cc(C(=O)N2CCC3(CC(=O)N(Cc4cccc(F)c4)C3)CC2)c1 ZINC000585099760 570925820 /nfs/dbraw/zinc/92/58/20/570925820.db2.gz PGRCUJJPDWKBDL-UHFFFAOYSA-N 0 0 394.490 4.097 40 0 GIABRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(Cl)c1 ZINC000191449956 570929607 /nfs/dbraw/zinc/92/96/07/570929607.db2.gz WBQVSNJXWUCFDB-UHFFFAOYSA-N 0 0 392.908 4.075 40 0 GIABRN COc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1Br ZINC000020012076 570939785 /nfs/dbraw/zinc/93/97/85/570939785.db2.gz ZNGPXYXRLWCSLT-UHFFFAOYSA-N 0 0 392.249 4.275 40 0 GIABRN O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(Br)cc1 ZINC000000847131 570946678 /nfs/dbraw/zinc/94/66/78/570946678.db2.gz UCHJUCGRNABYDS-UHFFFAOYSA-N 0 0 390.262 4.230 40 0 GIABRN CCOC(=O)c1cn(Cc2ccccc2)c2cc(C(F)(F)F)ccc2c1=O ZINC000199737781 570951699 /nfs/dbraw/zinc/95/16/99/570951699.db2.gz UKQPMSNEEWYQJT-UHFFFAOYSA-N 0 0 375.346 4.245 40 0 GIABRN O=C(Oc1ccc(Cl)cc1)c1ccccc1N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004544931 570978190 /nfs/dbraw/zinc/97/81/90/570978190.db2.gz DHHMBCPLWSTIPU-ATNYCFDYSA-N 0 0 395.842 4.095 40 0 GIABRN CCOc1ccccc1NC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000244152447 570988789 /nfs/dbraw/zinc/98/87/89/570988789.db2.gz UVSGDTBVROXJAR-UHFFFAOYSA-N 0 0 386.879 4.230 40 0 GIABRN Oc1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)c(Cl)c1 ZINC000328956499 571046812 /nfs/dbraw/zinc/04/68/12/571046812.db2.gz AGNICUYENQGPAV-UHFFFAOYSA-N 0 0 395.894 4.230 40 0 GIABRN O=C1c2cccc3c(Br)ccc(c32)C(=O)N1c1ccc(Cl)cn1 ZINC000003149237 817418886 /nfs/dbraw/zinc/41/88/86/817418886.db2.gz GSFMGWHXLVLPOB-UHFFFAOYSA-N 0 0 387.620 4.451 40 0 GIABRN COc1ccc(C(=O)Oc2cccc(OC(=O)c3ccc(OC)cc3)c2C)cc1 ZINC000005881732 817627852 /nfs/dbraw/zinc/62/78/52/817627852.db2.gz ZKLSFWKVTROPOE-UHFFFAOYSA-N 0 0 392.407 4.451 40 0 GIABRN O=C(CSc1ccc([N+](=O)[O-])cn1)N1c2ccccc2S[C@H]2C=CC=C[C@H]21 ZINC000006045722 817643502 /nfs/dbraw/zinc/64/35/02/817643502.db2.gz KWBTVALNOJZJRZ-ZBFHGGJFSA-N 0 0 397.481 4.084 40 0 GIABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000006207939 817667588 /nfs/dbraw/zinc/66/75/88/817667588.db2.gz BSSATDMTIGKQBI-SFHVURJKSA-N 0 0 388.489 4.252 40 0 GIABRN COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000006348261 817680993 /nfs/dbraw/zinc/68/09/93/817680993.db2.gz DTPPAGYZAZKHST-UNOMPAQXSA-N 0 0 395.480 4.294 40 0 GIABRN CCCCCNC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000006597295 817707394 /nfs/dbraw/zinc/70/73/94/817707394.db2.gz PKTZNFBXULDYHW-HSZRJFAPSA-N 0 0 396.556 4.423 40 0 GIABRN CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(C)C)cc2)C1=O ZINC000006650154 817715770 /nfs/dbraw/zinc/71/57/70/817715770.db2.gz XCLNXHXAFSWPJR-BOPFTXTBSA-N 0 0 391.489 4.101 40 0 GIABRN CCCOC(=O)c1cc(NC(=O)COC(=O)c2ccc(C)cc2)ccc1Cl ZINC000006880534 817721240 /nfs/dbraw/zinc/72/12/40/817721240.db2.gz WVQTUQGZYCFQLD-UHFFFAOYSA-N 0 0 389.835 4.011 40 0 GIABRN CCOc1ccc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1OC ZINC000006963995 817729753 /nfs/dbraw/zinc/72/97/53/817729753.db2.gz CBSSJKDNPDUHAR-XDHOZWIPSA-N 0 0 397.452 4.013 40 0 GIABRN O=Cc1cn(CC(=O)Nc2ccc(F)cc2F)c2ccc(Br)cc12 ZINC000006969806 817731418 /nfs/dbraw/zinc/73/14/18/817731418.db2.gz JFTXQDIZIOMECU-UHFFFAOYSA-N 0 0 393.187 4.133 40 0 GIABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 ZINC000007504923 817857072 /nfs/dbraw/zinc/85/70/72/817857072.db2.gz HEERSHHMRWSKIY-UHFFFAOYSA-N 0 0 384.785 4.448 40 0 GIABRN CC(C)OCCCNC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000007604425 817878067 /nfs/dbraw/zinc/87/80/67/817878067.db2.gz NYAIHKWDZDJSMU-UHFFFAOYSA-N 0 0 398.890 4.374 40 0 GIABRN CCCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000007881822 817949448 /nfs/dbraw/zinc/94/94/48/817949448.db2.gz JSVZVOGWYUUZCV-SFHVURJKSA-N 0 0 394.471 4.025 40 0 GIABRN C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)c1ccccc1 ZINC000007881998 817949462 /nfs/dbraw/zinc/94/94/62/817949462.db2.gz VCNIUNDWEIFCFB-OCCSQVGLSA-N 0 0 377.271 4.224 40 0 GIABRN CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 ZINC000007881994 817949554 /nfs/dbraw/zinc/94/95/54/817949554.db2.gz NYKCKROAMVAHEF-ZDUSSCGKSA-N 0 0 391.254 4.188 40 0 GIABRN CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 ZINC000007881993 817949624 /nfs/dbraw/zinc/94/96/24/817949624.db2.gz NYKCKROAMVAHEF-CYBMUJFWSA-N 0 0 391.254 4.188 40 0 GIABRN CC[C@H](Oc1ccc(C)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000008050575 817989343 /nfs/dbraw/zinc/98/93/43/817989343.db2.gz HILNTLMMVZYSCN-KXOMFBTKSA-N 0 0 378.516 4.010 40 0 GIABRN CCc1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)cc1 ZINC000008086022 817996563 /nfs/dbraw/zinc/99/65/63/817996563.db2.gz ULMZOUQZLKDUPY-UHFFFAOYSA-N 0 0 377.396 4.117 40 0 GIABRN CCc1ccccc1NC(=O)Cn1nc(COc2ccccc2C)oc1=S ZINC000008088477 817997803 /nfs/dbraw/zinc/99/78/03/817997803.db2.gz UGYDHXPFMXPBKP-UHFFFAOYSA-N 0 0 383.473 4.294 40 0 GIABRN COc1ccc(OC)c(C(=O)CCC(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC000008114376 818002113 /nfs/dbraw/zinc/00/21/13/818002113.db2.gz TVWNYEVYKMGBHG-UHFFFAOYSA-N 0 0 396.468 4.429 40 0 GIABRN COc1ccc(C(=O)Nc2sc(C)c(C)c2CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000012438418 818159373 /nfs/dbraw/zinc/15/93/73/818159373.db2.gz SDQQOTHGDARHHY-OKILXGFUSA-N 0 0 388.533 4.235 40 0 GIABRN O=C(/C=C/c1ccc(N2CCCC2=O)cc1)N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000012775871 818181025 /nfs/dbraw/zinc/18/10/25/818181025.db2.gz IPLBPPXGIYGMNF-DCBYGEANSA-N 0 0 380.410 4.064 40 0 GIABRN COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3snnc3C)c2)cc1 ZINC000019690711 818598804 /nfs/dbraw/zinc/59/88/04/818598804.db2.gz ISUQUMGZCNZZFA-IBGZPJMESA-N 0 0 394.500 4.203 40 0 GIABRN COc1cccc(CN2CCO[C@@H](c3ccc(-c4ccccc4F)cn3)C2)c1 ZINC000019692550 818598927 /nfs/dbraw/zinc/59/89/27/818598927.db2.gz JCVSVCKMJKACFK-HSZRJFAPSA-N 0 0 378.447 4.470 40 0 GIABRN COc1cccc([C@@H]2CN(C(=O)CCC3CCCC3)[C@@H]3CCCCC(=O)N[C@@H]23)c1 ZINC000019712845 818602412 /nfs/dbraw/zinc/60/24/12/818602412.db2.gz PBVTUDDMZZAEAA-IMSXRSKXSA-N 0 0 398.547 4.019 40 0 GIABRN CC(C)(C)n1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCc2ccccc2C1 ZINC000020121041 818614628 /nfs/dbraw/zinc/61/46/28/818614628.db2.gz BDKJPZUOKPYOFX-LJQANCHMSA-N 0 0 381.911 4.229 40 0 GIABRN C[C@H]1Cc2cc(S(=O)(=O)Nc3ccccc3)ccc2N1C(=O)c1ccccc1 ZINC000028206818 820319265 /nfs/dbraw/zinc/31/92/65/820319265.db2.gz LPCHFASUIINERD-INIZCTEOSA-N 0 0 392.480 4.079 40 0 GIABRN COc1ccc(-c2nc3cc(NC(=S)NC(=O)C(C)(C)C)ccc3o2)cc1 ZINC000059723920 823497256 /nfs/dbraw/zinc/49/72/56/823497256.db2.gz QSDISASCROVMPD-UHFFFAOYSA-N 0 0 383.473 4.363 40 0 GIABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cccc(Br)c1 ZINC000033720265 821059588 /nfs/dbraw/zinc/05/95/88/821059588.db2.gz FFFQRIWSTLOOCY-AWEZNQCLSA-N 0 0 379.279 4.217 40 0 GIABRN Cc1ccc(CSc2nnc([C@H](C)NC(=O)c3ccccc3C)n2C)cc1 ZINC000033735092 821059616 /nfs/dbraw/zinc/05/96/16/821059616.db2.gz GSQKWDHSLUMPBW-INIZCTEOSA-N 0 0 380.517 4.215 40 0 GIABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3c(C)[nH]c4ccccc34)C2=O)o1 ZINC000038172631 821094814 /nfs/dbraw/zinc/09/48/14/821094814.db2.gz KYDXWSGVFRBDOF-RQZCQDPDSA-N 0 0 396.424 4.092 40 0 GIABRN CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2)CC1 ZINC000040717490 821164550 /nfs/dbraw/zinc/16/45/50/821164550.db2.gz DMYIZQYSUKIWNP-AWNIVKPZSA-N 0 0 391.515 4.130 40 0 GIABRN O=C(NCc1ccccc1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000048623244 822676221 /nfs/dbraw/zinc/67/62/21/822676221.db2.gz SPXZEPZWYOCNIE-UHFFFAOYSA-N 0 0 394.858 4.174 40 0 GIABRN Cc1cc(C)cc(OCC(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)c1 ZINC000020411841 230904184 /nfs/dbraw/zinc/90/41/84/230904184.db2.gz AOCVKMHSQATCBL-UHFFFAOYSA-N 0 0 398.484 4.496 40 0 GIABRN Cc1cc(=O)n2c(n1)NC(Nc1ccc(C)c(C)c1)=N[C@H]2c1cccc(Cl)c1 ZINC000105330325 231017196 /nfs/dbraw/zinc/01/71/96/231017196.db2.gz OIYKBXGIRRXCTQ-LJQANCHMSA-N 0 0 393.878 4.262 40 0 GIABRN Cc1cc(C)nc(SCC(=O)N2c3ccccc3S[C@H]3C=CC=C[C@H]32)n1 ZINC000408544041 231055892 /nfs/dbraw/zinc/05/58/92/231055892.db2.gz RLIBZQZECHVSDW-WBVHZDCISA-N 0 0 381.526 4.188 40 0 GIABRN O=Cc1cc(Br)c(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)o1 ZINC000408553293 231058496 /nfs/dbraw/zinc/05/84/96/231058496.db2.gz QBJIAAVPSGAHOD-UHFFFAOYSA-N 0 0 384.642 4.444 40 0 GIABRN Cc1ccc(SCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222627843 231031931 /nfs/dbraw/zinc/03/19/31/231031931.db2.gz FYRHSNDKVKJNAQ-SFHVURJKSA-N 0 0 398.572 4.419 40 0 GIABRN COCCOc1ncc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1C ZINC000225871547 231036443 /nfs/dbraw/zinc/03/64/43/231036443.db2.gz ZIHJJVIWEKJSBC-UHFFFAOYSA-N 0 0 398.503 4.264 40 0 GIABRN O=C(NCc1ccc(F)cc1)c1ccccc1NC(=O)c1c(F)cccc1F ZINC000408615312 231080753 /nfs/dbraw/zinc/08/07/53/231080753.db2.gz OSMNIGGGHIYRJD-UHFFFAOYSA-N 0 0 384.357 4.286 40 0 GIABRN Cc1cccc(NC(=O)CNC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1 ZINC000408562164 231061657 /nfs/dbraw/zinc/06/16/57/231061657.db2.gz NPZLXBAEHMVXAK-UHFFFAOYSA-N 0 0 398.846 4.189 40 0 GIABRN O=C(NCc1cccc(Cl)c1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000408707166 231101191 /nfs/dbraw/zinc/10/11/91/231101191.db2.gz HLSOLXZHULDWIL-ZDUSSCGKSA-N 0 0 396.796 4.028 40 0 GIABRN Cc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c(O)c1 ZINC000408624471 231085891 /nfs/dbraw/zinc/08/58/91/231085891.db2.gz ULNVSIOKAJPSFH-UHFFFAOYSA-N 0 0 392.480 4.406 40 0 GIABRN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccccc1OC(F)F ZINC000408628772 231088514 /nfs/dbraw/zinc/08/85/14/231088514.db2.gz XHBRIPREOQWJJA-JXMROGBWSA-N 0 0 382.819 4.468 40 0 GIABRN O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C1/N=C(c2ccco2)OC1=O ZINC000408844244 231120385 /nfs/dbraw/zinc/12/03/85/231120385.db2.gz NBHUWWCUSYAJTF-QOBMTOCASA-N 0 0 385.375 4.243 40 0 GIABRN CCn1c(SCC(=O)Nc2ncc(C)s2)nnc1-c1ccccc1Cl ZINC000409157490 231173165 /nfs/dbraw/zinc/17/31/65/231173165.db2.gz UZBVCBXPIOITEZ-UHFFFAOYSA-N 0 0 393.925 4.114 40 0 GIABRN O=C1NC(=Cc2ccccc2Br)C(=O)N1c1cccc(Cl)c1 ZINC000409094511 231159189 /nfs/dbraw/zinc/15/91/89/231159189.db2.gz DLPCVPLRNUDTNO-RIYZIHGNSA-N 0 0 377.625 4.200 40 0 GIABRN O=C1N/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1F ZINC000409104558 231161263 /nfs/dbraw/zinc/16/12/63/231161263.db2.gz JSYFNWFZPGMNBI-XDHOZWIPSA-N 0 0 395.821 4.363 40 0 GIABRN O=C(COC(=O)c1ccccn1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409213842 231181243 /nfs/dbraw/zinc/18/12/43/231181243.db2.gz VJRGNRXTZSRXFO-UHFFFAOYSA-N 0 0 390.483 4.345 40 0 GIABRN O=C(CN1C(=O)SC(=Cc2c(F)cccc2Cl)C1=O)c1ccccc1 ZINC000409224515 231183054 /nfs/dbraw/zinc/18/30/54/231183054.db2.gz KRGUIUBWGKVPII-SXGWCWSVSA-N 0 0 375.808 4.398 40 0 GIABRN O=C(Nc1cccc(F)c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000409408350 231201793 /nfs/dbraw/zinc/20/17/93/231201793.db2.gz BZYDZZWDIXEBEH-NRFANRHFSA-N 0 0 396.443 4.445 40 0 GIABRN CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccccc1O ZINC000409411165 231202006 /nfs/dbraw/zinc/20/20/06/231202006.db2.gz DVQSAMSYCDOVJX-UHFFFAOYSA-N 0 0 382.489 4.018 40 0 GIABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1 ZINC000017081739 529430304 /nfs/dbraw/zinc/43/03/04/529430304.db2.gz MRDRAYTYELRHFU-CQSZACIVSA-N 0 0 399.516 4.051 40 0 GIABRN CCc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cc1 ZINC000007388268 529610470 /nfs/dbraw/zinc/61/04/70/529610470.db2.gz KJCYNSLVELHSSN-UHFFFAOYSA-N 0 0 393.531 4.196 40 0 GIABRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/C=C\c3ccccc3)C2=O)cc1 ZINC000409173443 529674722 /nfs/dbraw/zinc/67/47/22/529674722.db2.gz NFMBBAOZNWKSSJ-IGHDPAQPSA-N 0 0 392.480 4.480 40 0 GIABRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C)cc3)C2=O)cc1 ZINC000409182841 529675009 /nfs/dbraw/zinc/67/50/09/529675009.db2.gz PDNVNYRSJFVTIH-LDADJPATSA-N 0 0 380.469 4.232 40 0 GIABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccccc3)n2C)cc1 ZINC000013871271 529695882 /nfs/dbraw/zinc/69/58/82/529695882.db2.gz OWNBBKUHUNZYFH-OAHLLOKOSA-N 0 0 396.516 4.248 40 0 GIABRN Cc1ccc(C(=O)N2CCO[C@]3(CO[C@@H](c4ccccc4)[C@H](C(C)C)C3)C2)cn1 ZINC000257236350 222760247 /nfs/dbraw/zinc/76/02/47/222760247.db2.gz HBTJZDOSZDJHKF-FIXSFTCYSA-N 0 0 394.515 4.035 40 0 GIABRN COc1ccc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)cn1 ZINC000257235716 222760822 /nfs/dbraw/zinc/76/08/22/222760822.db2.gz GZBQYSAQWZRXCA-IBGZPJMESA-N 0 0 395.434 4.176 40 0 GIABRN CCOc1cc([C@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2C)ccc1O ZINC000004909338 209120410 /nfs/dbraw/zinc/12/04/10/209120410.db2.gz YORLIFXFCBWLPI-IBGZPJMESA-N 0 0 383.835 4.009 40 0 GIABRN CCOc1cc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2C)ccc1O ZINC000004909333 209120126 /nfs/dbraw/zinc/12/01/26/209120126.db2.gz YORLIFXFCBWLPI-LJQANCHMSA-N 0 0 383.835 4.009 40 0 GIABRN Cc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCc2ccccc2)cc1 ZINC000005032024 209121503 /nfs/dbraw/zinc/12/15/03/209121503.db2.gz JRMMWMZQRKWHKM-KQWNVCNZSA-N 0 0 384.479 4.391 40 0 GIABRN COc1ccc(/C=C/C(=O)Nc2nc3c(s2)CCCC3)cc1Br ZINC000001791176 209116552 /nfs/dbraw/zinc/11/65/52/209116552.db2.gz UEULFSOSDJRFME-VQHVLOKHSA-N 0 0 393.306 4.445 40 0 GIABRN CCCc1nnc(NC(=O)/C=C/c2cc(Br)ccc2OCC)s1 ZINC000000941517 209114073 /nfs/dbraw/zinc/11/40/73/209114073.db2.gz LZQLLBQFJJREBX-RMKNXTFCSA-N 0 0 396.310 4.304 40 0 GIABRN Cc1ccc(Nc2cc(-c3cccnc3)nc(NC(C)C)n2)cc1C(F)(F)F ZINC000329061246 206243438 /nfs/dbraw/zinc/24/34/38/206243438.db2.gz WPOHAXLQTIPKCP-UHFFFAOYSA-N 0 0 387.409 4.274 40 0 GIABRN Oc1ccc(Nc2cc(C(F)(F)F)nc(NC3CCCCC3)n2)c(Cl)c1 ZINC000329066025 206243769 /nfs/dbraw/zinc/24/37/69/206243769.db2.gz XWIVBMQQJKOHKW-UHFFFAOYSA-N 0 0 386.805 4.186 40 0 GIABRN FC(F)(F)c1cccc(Nc2cc(-c3cccnc3)nc(NC3CCCC3)n2)c1 ZINC000329067209 206244286 /nfs/dbraw/zinc/24/42/86/206244286.db2.gz YGFYLKUGZGEUCN-UHFFFAOYSA-N 0 0 399.420 4.499 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)cc2)cc(-c2cccnc2)n1 ZINC000329067735 206244339 /nfs/dbraw/zinc/24/43/39/206244339.db2.gz YKMUEZBPUJJPBH-SFHVURJKSA-N 0 0 383.883 4.364 40 0 GIABRN FC(F)(F)Sc1cccc(Nc2cc(C(F)(F)F)nc(NC3CC3)n2)c1 ZINC000328971260 206238908 /nfs/dbraw/zinc/23/89/08/206238908.db2.gz DPFKMTZGZQVSAL-UHFFFAOYSA-N 0 0 394.344 4.269 40 0 GIABRN CCOc1ccc(Nc2cc(-c3cccnc3)nc(N[C@H](CO)C(C)C)n2)cc1 ZINC000328972694 206239002 /nfs/dbraw/zinc/23/90/02/206239002.db2.gz DYAIMCDPOMJNAN-HXUWFJFHSA-N 0 0 393.491 4.110 40 0 GIABRN Clc1ccccc1CNc1cc(-c2ccncc2)nc(NC2CCCC2)n1 ZINC000328990967 206239307 /nfs/dbraw/zinc/23/93/07/206239307.db2.gz IQXGEWWIDPVUDA-UHFFFAOYSA-N 0 0 379.895 4.002 40 0 GIABRN Clc1ccc(NN=c2cc(-c3ccncc3)nc(NC3CC3)[nH]2)c(Cl)c1 ZINC000328991034 206239516 /nfs/dbraw/zinc/23/95/16/206239516.db2.gz IRUNZCVCIYMVFJ-UHFFFAOYSA-N 0 0 387.274 4.281 40 0 GIABRN CNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000328992483 206239534 /nfs/dbraw/zinc/23/95/34/206239534.db2.gz IVPJZBZUGJOFMI-UHFFFAOYSA-N 0 0 376.407 4.385 40 0 GIABRN COc1ccc(Nc2cc(C3CC3)nc(NC3CCCC3)n2)cc1C(F)(F)F ZINC000328972676 206239762 /nfs/dbraw/zinc/23/97/62/206239762.db2.gz DXRIAHVNASVDCR-UHFFFAOYSA-N 0 0 392.425 4.323 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc(Nc2c(Cl)cccc2Cl)cc(C2CC2)n1 ZINC000329025647 206241041 /nfs/dbraw/zinc/24/10/41/206241041.db2.gz PHGALWJWKINYCC-OAHLLOKOSA-N 0 0 381.307 4.255 40 0 GIABRN CCNc1nc(Nc2cccc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329027030 206241496 /nfs/dbraw/zinc/24/14/96/206241496.db2.gz PQMGEJHZFSGSNV-UHFFFAOYSA-N 0 0 392.356 4.201 40 0 GIABRN CCNc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(-c2ccccn2)n1 ZINC000329046039 206242241 /nfs/dbraw/zinc/24/22/41/206242241.db2.gz TZHQJVVWKKXJNE-UHFFFAOYSA-N 0 0 389.381 4.343 40 0 GIABRN Cc1cc(Br)ccc1Nc1cc(-c2ccccn2)nc(NC2CC2)n1 ZINC000329041305 206243110 /nfs/dbraw/zinc/24/31/10/206243110.db2.gz SHYOHPMSKBNYJE-UHFFFAOYSA-N 0 0 396.292 4.349 40 0 GIABRN O=C(CCc1ncc(-c2ccccc2)o1)/N=c1\ccccn1Cc1ccccc1 ZINC000022243120 206251360 /nfs/dbraw/zinc/25/13/60/206251360.db2.gz WUJUXSNIQBWLJV-XTCLZLMSSA-N 0 0 383.451 4.252 40 0 GIABRN CCOC(=O)c1cc2oc(C)cc2n1CC(=O)Nc1ccccc1C(F)(F)F ZINC000004968497 206262300 /nfs/dbraw/zinc/26/23/00/206262300.db2.gz ZQENZXWZZLHLSD-UHFFFAOYSA-N 0 0 394.349 4.377 40 0 GIABRN CCc1nnc2sc(-c3cc(Cl)cc(Cl)c3Br)nn12 ZINC000045920156 206263534 /nfs/dbraw/zinc/26/35/34/206263534.db2.gz CEJJFMSWKVRYIJ-UHFFFAOYSA-N 0 0 378.082 4.485 40 0 GIABRN O=C(Nc1cnn(Cc2ccccc2F)c1)[C@H](c1ccccc1)N1CCCCC1 ZINC000035322706 206264385 /nfs/dbraw/zinc/26/43/85/206264385.db2.gz CYWRYDDWRQZQPC-QFIPXVFZSA-N 0 0 392.478 4.236 40 0 GIABRN COCCn1c(-c2[nH]c(C)c(C(C)=O)c2C)csc1=Nc1ccccc1OC ZINC000104738121 206262816 /nfs/dbraw/zinc/26/28/16/206262816.db2.gz WWXOQCRAROUTRV-XTQSDGFTSA-N 0 0 399.516 4.252 40 0 GIABRN O=C(OCC1c2ccccc2-c2ccccc21)N1CCN(c2ccccn2)CC1 ZINC000258329225 206288048 /nfs/dbraw/zinc/28/80/48/206288048.db2.gz AHUDFFMGSBAROX-UHFFFAOYSA-N 0 0 385.467 4.153 40 0 GIABRN CC1(C)C[C@]2(C[C@H](c3ccccc3Cl)c3ccc(O)cc3O2)NC(=S)N1 ZINC000000885494 206331558 /nfs/dbraw/zinc/33/15/58/206331558.db2.gz UCGKZBPRBWAQLD-FOIQADDNSA-N 0 0 388.920 4.303 40 0 GIABRN O=C(NC1CCCCC1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000000825552 206325781 /nfs/dbraw/zinc/32/57/81/206325781.db2.gz VTUSBVAYCSRSEL-UHFFFAOYSA-N 0 0 388.393 4.478 40 0 GIABRN CCc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N3CCCC[C@@H]3C)n12 ZINC000000877139 206330592 /nfs/dbraw/zinc/33/05/92/206330592.db2.gz VAOPPVASNUJBGI-HNNXBMFYSA-N 0 0 382.533 4.246 40 0 GIABRN CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccc(Cl)cc1 ZINC000000984680 206338476 /nfs/dbraw/zinc/33/84/76/206338476.db2.gz MNSXBNKPPDYZMT-UHFFFAOYSA-N 0 0 377.868 4.043 40 0 GIABRN COC(=O)c1ccccc1NC(=O)c1cccc(CSc2nnc(C)s2)c1 ZINC000001049934 206345580 /nfs/dbraw/zinc/34/55/80/206345580.db2.gz NGZGXMGMMIEDAP-UHFFFAOYSA-N 0 0 399.497 4.178 40 0 GIABRN C[C@@H]1CN(C(=O)c2ccccc2Cl)[C@H](C)CN1C(=O)c1ccccc1Cl ZINC000001604151 206386664 /nfs/dbraw/zinc/38/66/64/206386664.db2.gz ONONIYBUAMVCQV-ZIAGYGMSSA-N 0 0 391.298 4.369 40 0 GIABRN Cc1ccc(NC(=O)Cc2sc(Nc3ccc(Cl)cc3)nc2O)cc1C ZINC000001624444 206387641 /nfs/dbraw/zinc/38/76/41/206387641.db2.gz ACQSRWGWHHIWSG-INIZCTEOSA-N 0 0 387.892 4.396 40 0 GIABRN CCOC(=O)c1ccc(-n2c(SCC)nc3sc(C)c(C)c3c2=O)cc1 ZINC000001633154 206387676 /nfs/dbraw/zinc/38/76/76/206387676.db2.gz KXOYSMWLMKXHSQ-UHFFFAOYSA-N 0 0 388.514 4.353 40 0 GIABRN CCc1cc(I)ccc1NC(=O)c1cccc(OC)c1 ZINC000001265063 206370059 /nfs/dbraw/zinc/37/00/59/206370059.db2.gz LNNWAPGYBCWAFY-UHFFFAOYSA-N 0 0 381.213 4.115 40 0 GIABRN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(Cc2ccncc2)cc1 ZINC000001263971 206371129 /nfs/dbraw/zinc/37/11/29/206371129.db2.gz SNKPOBLLIGCWLD-UHFFFAOYSA-N 0 0 395.915 4.382 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000003569735 206488233 /nfs/dbraw/zinc/48/82/33/206488233.db2.gz QLCFWWGXKMHUFF-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN Cc1cc(=O)oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc12 ZINC000004159246 206504345 /nfs/dbraw/zinc/50/43/45/206504345.db2.gz ZXOYPLOHLWOOIG-UHFFFAOYSA-N 0 0 379.195 4.393 40 0 GIABRN O=C(N[C@@H]1CCC[C@H]2[C@@H](NC(=O)c3ccccc3)CCC[C@H]12)c1ccccc1 ZINC000005053189 206586728 /nfs/dbraw/zinc/58/67/28/206586728.db2.gz DXAWPSINMCXEFR-ZDNVTZCJSA-N 0 0 376.500 4.184 40 0 GIABRN COc1ccc(C2(SC[C@@H]([NH3+])C(=O)[O-])c3ccccc3-c3ccccc32)cc1 ZINC000005639986 206623156 /nfs/dbraw/zinc/62/31/56/206623156.db2.gz PDGVITQUZRCXTG-OAQYLSRUSA-N 0 0 391.492 4.113 40 0 GIABRN COc1ccccc1[C@H]1c2cc3c(cc2O[C@@](C)(N2CCCC2)[C@@H]1C)OCO3 ZINC000005765758 206627855 /nfs/dbraw/zinc/62/78/55/206627855.db2.gz FAZGJJUOWJTADB-AIYSXCBHSA-N 0 0 381.472 4.396 40 0 GIABRN Cc1ccc(NC(=O)N2[C@@H]3CCC[C@H]2CC(NC(=O)c2cccc(F)c2)C3)cc1 ZINC000035312802 206640995 /nfs/dbraw/zinc/64/09/95/206640995.db2.gz VHZATIDQFDVRED-SEJPIABJSA-N 0 0 395.478 4.482 40 0 GIABRN CC(=O)c1cccc(NC(=O)N2CCC(c3nc4cc(C)ccc4[nH]3)CC2)c1 ZINC000035291875 206633036 /nfs/dbraw/zinc/63/30/36/206633036.db2.gz ZXRNHXGXXZXSCE-UHFFFAOYSA-N 0 0 376.460 4.485 40 0 GIABRN O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1ccc(N2CCCCC2)cc1 ZINC000035316683 206642695 /nfs/dbraw/zinc/64/26/95/206642695.db2.gz WYIRVRFABFSUFQ-UHFFFAOYSA-N 0 0 378.451 4.313 40 0 GIABRN Cc1ccc2c(c1)cc(CN(Cc1ccccc1)C(=O)c1ccco1)c1nnnn12 ZINC000035311109 206644369 /nfs/dbraw/zinc/64/43/69/206644369.db2.gz SYYCMBTUGDTRTO-UHFFFAOYSA-N 0 0 397.438 4.022 40 0 GIABRN COC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)sc2c1CCCC2 ZINC000006249442 206646567 /nfs/dbraw/zinc/64/65/67/206646567.db2.gz ISFUIYUJKIDFIV-NSHDSACASA-N 0 0 393.892 4.473 40 0 GIABRN O=C(c1cccs1)c1noc(-c2ccccc2)c1S(=O)(=O)c1ccccc1 ZINC000006618425 206657619 /nfs/dbraw/zinc/65/76/19/206657619.db2.gz VDVFVXJVTGAHJQ-UHFFFAOYSA-N 0 0 395.461 4.467 40 0 GIABRN Cc1cc(OCC(=O)N(C)Cc2nc(-c3ccccc3)no2)cc(C)c1Cl ZINC000007759290 206723288 /nfs/dbraw/zinc/72/32/88/206723288.db2.gz JDYNWZVGWNQHFI-UHFFFAOYSA-N 0 0 385.851 4.044 40 0 GIABRN CCSc1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccc(OC)c(OC)c1)=N2 ZINC000010156724 206807230 /nfs/dbraw/zinc/80/72/30/206807230.db2.gz LOXIAZDNPUEPJS-QGZVFWFLSA-N 0 0 394.500 4.463 40 0 GIABRN Cc1ccc(-c2cc(C(=O)N3CCC(c4onc5c4C[C@H](C)CC5)CC3)[nH]n2)o1 ZINC000012119880 206859467 /nfs/dbraw/zinc/85/94/67/206859467.db2.gz FDABGIRBARZSLZ-CYBMUJFWSA-N 0 0 394.475 4.111 40 0 GIABRN O=c1[nH]cc(-c2ccc(Cl)cc2)cc1CNc1ccccc1N1CCOCC1 ZINC000012144100 206862044 /nfs/dbraw/zinc/86/20/44/206862044.db2.gz VDFUYLSZKUWVPR-UHFFFAOYSA-N 0 0 395.890 4.144 40 0 GIABRN Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c(C)c1 ZINC000013991512 207006426 /nfs/dbraw/zinc/00/64/26/207006426.db2.gz HZJOKOFEVYUYGT-UHFFFAOYSA-N 0 0 388.467 4.251 40 0 GIABRN C[C@@H]1CN(C(=O)c2ccccc2Cl)[C@@H](C)CN1C(=O)c1ccccc1Cl ZINC000013969283 207006466 /nfs/dbraw/zinc/00/64/66/207006466.db2.gz ONONIYBUAMVCQV-OKILXGFUSA-N 0 0 391.298 4.369 40 0 GIABRN Cc1ccc(C)c(OCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 ZINC000014002847 207007813 /nfs/dbraw/zinc/00/78/13/207007813.db2.gz ICKDGVINZWXOSM-UHFFFAOYSA-N 0 0 380.488 4.337 40 0 GIABRN C[C@@H](NC(=O)c1ccccc1NC(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC000014792878 207028863 /nfs/dbraw/zinc/02/88/63/207028863.db2.gz NDVITLCTHKOADZ-MRXNPFEDSA-N 0 0 376.431 4.498 40 0 GIABRN COc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000015353165 207049719 /nfs/dbraw/zinc/04/97/19/207049719.db2.gz SNTSPCSKQQSBKN-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)cc1 ZINC000015349502 207050082 /nfs/dbraw/zinc/05/00/82/207050082.db2.gz SVTOFUNSSYZRBQ-UHFFFAOYSA-N 0 0 380.469 4.072 40 0 GIABRN Cc1noc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)N(C)C3CCCCC3)c12 ZINC000036618391 207051126 /nfs/dbraw/zinc/05/11/26/207051126.db2.gz BYEZALIAYKWAEH-UHFFFAOYSA-N 0 0 393.443 4.332 40 0 GIABRN Cc1noc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)N[C@H]3CCCC[C@H]3C)c12 ZINC000036618351 207051865 /nfs/dbraw/zinc/05/18/65/207051865.db2.gz RSGJQYWYBOTDGA-WBMJQRKESA-N 0 0 393.443 4.235 40 0 GIABRN CCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000015593043 207053367 /nfs/dbraw/zinc/05/33/67/207053367.db2.gz QDEUWYFTWBYXMO-UHFFFAOYSA-N 0 0 386.517 4.066 40 0 GIABRN CCOC(=O)C1=C(SCCC(=O)c2ccccc2)Nc2ccccc2OC1=N ZINC000016682528 207075128 /nfs/dbraw/zinc/07/51/28/207075128.db2.gz SZTQZUMAVMTZRZ-UHFFFAOYSA-N 0 0 396.468 4.249 40 0 GIABRN C[C@@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000018109986 207093085 /nfs/dbraw/zinc/09/30/85/207093085.db2.gz PBOXPNFYOKJACS-CHWSQXEVSA-N 0 0 377.893 4.469 40 0 GIABRN CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)CC1CCCC1 ZINC000019017557 207099215 /nfs/dbraw/zinc/09/92/15/207099215.db2.gz WCYHCJBAPLMJKH-CQOQZXRMSA-N 0 0 382.548 4.352 40 0 GIABRN Cc1cccc2c(C[C@@H](C)NC(=O)CCc3nc(-c4cccs4)no3)c[nH]c21 ZINC000019236608 207109828 /nfs/dbraw/zinc/10/98/28/207109828.db2.gz AMWDAZRINNCWIJ-CQSZACIVSA-N 0 0 394.500 4.268 40 0 GIABRN Cc1cccnc1[C@H](Cc1ccsc1)NCc1cnc(N2CCCCC2)nc1 ZINC000019237659 207110370 /nfs/dbraw/zinc/11/03/70/207110370.db2.gz LESCAVFPBDGMJC-FQEVSTJZSA-N 0 0 393.560 4.305 40 0 GIABRN COc1ccccc1-c1cc(C(=O)N2CCCCC[C@H]2c2cc(C)no2)no1 ZINC000019120154 207103274 /nfs/dbraw/zinc/10/32/74/207103274.db2.gz QZVWSDAGUUMFTE-KRWDZBQOSA-N 0 0 381.432 4.404 40 0 GIABRN CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)CC(C)(C)C)C1 ZINC000019082554 207103481 /nfs/dbraw/zinc/10/34/81/207103481.db2.gz FRCILEXJPCDEFK-HSZRJFAPSA-N 0 0 398.572 4.359 40 0 GIABRN Cc1cc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)CC2CCCC2)on1 ZINC000019121777 207105287 /nfs/dbraw/zinc/10/52/87/207105287.db2.gz OILGUDPXNYTWCI-SFHVURJKSA-N 0 0 397.523 4.140 40 0 GIABRN COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2cc3cc(C)ccc3o2)cc1 ZINC000019221355 207106860 /nfs/dbraw/zinc/10/68/60/207106860.db2.gz UNRJPFXADKDFNZ-JOCHJYFZSA-N 0 0 387.439 4.261 40 0 GIABRN COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NC(=O)c2ccc(C)nc2)cc1OC ZINC000019214958 207107242 /nfs/dbraw/zinc/10/72/42/207107242.db2.gz HXDSWIDFZHECAD-UDKICSLYSA-N 0 0 380.488 4.109 40 0 GIABRN Cc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2Cl)cn1 ZINC000019214925 207107447 /nfs/dbraw/zinc/10/74/47/207107447.db2.gz QBQRFBIMCBQJMK-LJQANCHMSA-N 0 0 380.879 4.096 40 0 GIABRN COCC(=O)N1CCc2sccc2[C@@H]1c1ccc(NCc2ccc(C)o2)cc1 ZINC000019216667 207107640 /nfs/dbraw/zinc/10/76/40/207107640.db2.gz HDSGWTBSYPPRPH-QFIPXVFZSA-N 0 0 396.512 4.382 40 0 GIABRN CC(=O)N[C@H](CC(=O)N1CCC[C@H]1c1ccc(C)c(C)c1)c1ccc(F)cc1 ZINC000019213702 207107883 /nfs/dbraw/zinc/10/78/83/207107883.db2.gz YPBIFXMXVJCQFW-YADHBBJMSA-N 0 0 382.479 4.374 40 0 GIABRN Cc1ccc(-c2nnc(CNC(=O)c3cccc(-c4ccc(F)cc4)c3)o2)cn1 ZINC000019215316 207108027 /nfs/dbraw/zinc/10/80/27/207108027.db2.gz XZDGKMXVXMEEMV-UHFFFAOYSA-N 0 0 388.402 4.176 40 0 GIABRN Cc1cccc(O[C@@H](C)c2nnc(NC(=O)CC[C@H]3CCCO3)s2)c1C ZINC000019235686 207109492 /nfs/dbraw/zinc/10/94/92/207109492.db2.gz VSJUAUVEJKLKRA-LSDHHAIUSA-N 0 0 375.494 4.193 40 0 GIABRN Cn1nc2c(c1C(=O)N1CCc3sccc3[C@H]1c1cccs1)CCCC2 ZINC000019288650 207112640 /nfs/dbraw/zinc/11/26/40/207112640.db2.gz HQDCIEXWIVYBBF-SFHVURJKSA-N 0 0 383.542 4.210 40 0 GIABRN COc1cccc(-c2cnc(NCc3ccc(F)cc3)nc2-c2nccn2C)c1 ZINC000019291700 207114196 /nfs/dbraw/zinc/11/41/96/207114196.db2.gz OARUTTFNWWKMBM-UHFFFAOYSA-N 0 0 389.434 4.304 40 0 GIABRN Cn1ccnc1-c1nc(NCc2ccc(F)cc2)ncc1-c1cccc(F)c1 ZINC000019291699 207114487 /nfs/dbraw/zinc/11/44/87/207114487.db2.gz LZDDPQMRURJIJK-UHFFFAOYSA-N 0 0 377.398 4.434 40 0 GIABRN O=C(NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)[C@H]1CC=CCC1 ZINC000019340451 207115869 /nfs/dbraw/zinc/11/58/69/207115869.db2.gz XBITYJQYZBOMMQ-SFHVURJKSA-N 0 0 390.462 4.224 40 0 GIABRN O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC000019344116 207117187 /nfs/dbraw/zinc/11/71/87/207117187.db2.gz UXXQSHNKSPGTGM-AWEZNQCLSA-N 0 0 383.448 4.012 40 0 GIABRN O=C(C1CC1)N1CCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)CC1 ZINC000019373315 207119677 /nfs/dbraw/zinc/11/96/77/207119677.db2.gz WAGRATOYNOWKTP-UHFFFAOYSA-N 0 0 399.498 4.398 40 0 GIABRN COc1ccc2cc(C(=O)N3CC[C@@H](c4nc(C)n5c(C)csc45)C3)[nH]c2c1 ZINC000019240526 207111044 /nfs/dbraw/zinc/11/10/44/207111044.db2.gz ISZQKIQZFSREOC-OAHLLOKOSA-N 0 0 394.500 4.132 40 0 GIABRN Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)CC(C)(C)C)cc(N(C)C)n1 ZINC000019240842 207111192 /nfs/dbraw/zinc/11/11/92/207111192.db2.gz MYBFEQSCHCBPQB-LJQANCHMSA-N 0 0 393.535 4.169 40 0 GIABRN COc1ccc(CN(Cc2cccnc2)C(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000019497888 207124546 /nfs/dbraw/zinc/12/45/46/207124546.db2.gz MLCWVJIUGKXXFN-QGZVFWFLSA-N 0 0 388.467 4.256 40 0 GIABRN CCC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2F)(C(=O)NC(C)C)C1 ZINC000019498471 207124771 /nfs/dbraw/zinc/12/47/71/207124771.db2.gz IUELVBHXJOKYPI-XMMPIXPASA-N 0 0 396.506 4.189 40 0 GIABRN CCC(=O)N1CCC[C@@](Cc2ccccc2-c2ccccc2)(C(=O)NC(C)C)C1 ZINC000019498661 207124950 /nfs/dbraw/zinc/12/49/50/207124950.db2.gz TYTBFSVCYGXDQV-VWLOTQADSA-N 0 0 392.543 4.440 40 0 GIABRN C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc(C(=O)c2ccc(F)cc2)c2ccncc21 ZINC000019496241 207125163 /nfs/dbraw/zinc/12/51/63/207125163.db2.gz WMMTXJZYFANOSN-QRWLVFNGSA-N 0 0 393.462 4.101 40 0 GIABRN COc1ccc([C@H]2CCCN2C(=O)CCc2ccc3c(c2)C[C@H](C)O3)c(OC)c1 ZINC000019498122 207125265 /nfs/dbraw/zinc/12/52/65/207125265.db2.gz OTMGMGZQQUDIHG-HRAATJIYSA-N 0 0 395.499 4.324 40 0 GIABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3cscn3)cc2N1 ZINC000019520771 207126202 /nfs/dbraw/zinc/12/62/02/207126202.db2.gz BYJUCLCKSFGQKI-DDTOSNHZSA-N 0 0 399.442 4.015 40 0 GIABRN CCC[C@@H](C(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)n1nc(C)cc1C ZINC000019501788 207126340 /nfs/dbraw/zinc/12/63/40/207126340.db2.gz MWXUIOYZGIJGBB-PMACEKPBSA-N 0 0 385.508 4.222 40 0 GIABRN CCC[C@@H](C)C(=O)N1Cc2ccccc2OC2(CCC(N(C)C(C)=O)CC2)C1 ZINC000019501834 207126431 /nfs/dbraw/zinc/12/64/31/207126431.db2.gz KOCNWCPKVMEGEH-WMAFBANVSA-N 0 0 386.536 4.004 40 0 GIABRN CCc1cc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)n(C)n1 ZINC000019522181 207126553 /nfs/dbraw/zinc/12/65/53/207126553.db2.gz CEYXTASMTJECNM-UHFFFAOYSA-N 0 0 394.422 4.301 40 0 GIABRN CCC(CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(N(C)C)nc(C)n1 ZINC000019500244 207126580 /nfs/dbraw/zinc/12/65/80/207126580.db2.gz MQDVCIUQHQRMDQ-FQEVSTJZSA-N 0 0 393.535 4.169 40 0 GIABRN CC[C@H]1c2ccc(C)n2CCN1C(=O)CCCc1nc(-c2ccccc2)no1 ZINC000019500983 207127358 /nfs/dbraw/zinc/12/73/58/207127358.db2.gz YHAWLKLDBRZIQT-SFHVURJKSA-N 0 0 378.476 4.163 40 0 GIABRN CCn1cc([C@H](NC(=O)Cc2cccnc2)c2ccc(F)cc2)c2ccncc21 ZINC000019524834 207128679 /nfs/dbraw/zinc/12/86/79/207128679.db2.gz QVEFGYWOCRXJSS-HSZRJFAPSA-N 0 0 388.446 4.039 40 0 GIABRN CCn1nc2c(c1C(=O)Nc1nc(-c3ccc4c(c3)CCO4)cs1)CCCC2 ZINC000019524116 207128775 /nfs/dbraw/zinc/12/87/75/207128775.db2.gz BFKSKXWKYASBBI-UHFFFAOYSA-N 0 0 394.500 4.093 40 0 GIABRN CCn1cc(CC(=O)N2CCC(OCc3ccccc3)CC2)c2ccccc21 ZINC000019524782 207129469 /nfs/dbraw/zinc/12/94/69/207129469.db2.gz HXDMTLOEAIFXKW-UHFFFAOYSA-N 0 0 376.500 4.412 40 0 GIABRN Cc1ncsc1-c1nc(NCCCn2ccnc2)ncc1-c1ccc(F)cc1 ZINC000019562397 207134479 /nfs/dbraw/zinc/13/44/79/207134479.db2.gz FJFRXYUGYMWXFO-UHFFFAOYSA-N 0 0 394.479 4.413 40 0 GIABRN Cc1ncsc1-c1nnc(C2CCN(Cc3cccc(F)c3F)CC2)o1 ZINC000019563197 207134670 /nfs/dbraw/zinc/13/46/70/207134670.db2.gz QXPAIXRYCPHFTN-UHFFFAOYSA-N 0 0 376.432 4.159 40 0 GIABRN Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)C2CCCCC2)c1C ZINC000019558359 207134887 /nfs/dbraw/zinc/13/48/87/207134887.db2.gz HAOJNDHSTNPDIB-GOSISDBHSA-N 0 0 397.523 4.058 40 0 GIABRN COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc(F)c(F)c1 ZINC000019570948 207136393 /nfs/dbraw/zinc/13/63/93/207136393.db2.gz KZWYZUBUKDYQHW-LJQANCHMSA-N 0 0 397.425 4.026 40 0 GIABRN COc1ccccc1CN(Cc1ccncc1)[C@@H]1COC[C@H]1c1ccc(F)cc1 ZINC000019569988 207137049 /nfs/dbraw/zinc/13/70/49/207137049.db2.gz CWIXKHUPNRFFRR-XZOQPEGZSA-N 0 0 392.474 4.414 40 0 GIABRN CN(C)C(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)C2CC2)C1 ZINC000019578761 207138801 /nfs/dbraw/zinc/13/88/01/207138801.db2.gz HVCYPDVBJLVLNR-VWLOTQADSA-N 0 0 390.527 4.003 40 0 GIABRN COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)CCCn2nc(C)cc2C)cc1 ZINC000019574204 207138901 /nfs/dbraw/zinc/13/89/01/207138901.db2.gz CGECFXGJBPSPQG-WMIMKTLMSA-N 0 0 395.547 4.377 40 0 GIABRN COc1ccc2[nH]c(C)c(-c3csc(NC(=O)[C@H](C)n4ccnc4)n3)c2c1 ZINC000019581508 207139011 /nfs/dbraw/zinc/13/90/11/207139011.db2.gz NBFNJEWHQUJAGT-LBPRGKRZSA-N 0 0 381.461 4.005 40 0 GIABRN Cc1noc(C)c1Cc1c(C)onc1C(=O)Nc1nc2c(s1)CCCCC2 ZINC000019580996 207139571 /nfs/dbraw/zinc/13/95/71/207139571.db2.gz ZJFPVRCWWCHILR-UHFFFAOYSA-N 0 0 386.477 4.156 40 0 GIABRN Cc1nn(C[C@H](C)C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c(C)c1C ZINC000019556888 207132572 /nfs/dbraw/zinc/13/25/72/207132572.db2.gz JXTGEXMWNFQFGE-OYHNWAKOSA-N 0 0 399.535 4.119 40 0 GIABRN Cc1sc(NC(=O)c2cccc(Cn3cncn3)c2)nc1-c1ccc(F)cc1 ZINC000019555608 207133029 /nfs/dbraw/zinc/13/30/29/207133029.db2.gz PJRAJKJEMSOBGS-UHFFFAOYSA-N 0 0 393.447 4.150 40 0 GIABRN COc1cccc([C@H](NC(=O)[C@@H](C)Cn2nc(C)c(C)c2C)c2ccccc2)c1 ZINC000019556904 207133427 /nfs/dbraw/zinc/13/34/27/207133427.db2.gz RFJKVONVOHQSOL-QMHKHESXSA-N 0 0 391.515 4.359 40 0 GIABRN Cc1cc(Cc2ccccc2F)cc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000019691693 207148377 /nfs/dbraw/zinc/14/83/77/207148377.db2.gz HBMOQQDRDUBGGH-QFIPXVFZSA-N 0 0 382.479 4.005 40 0 GIABRN COCc1ccc(OC)c(CN2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)c1 ZINC000019594355 207143895 /nfs/dbraw/zinc/14/38/95/207143895.db2.gz SJVWICHEDWDJEE-HSZRJFAPSA-N 0 0 396.462 4.102 40 0 GIABRN CCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)CCC2 ZINC000019706203 207150256 /nfs/dbraw/zinc/15/02/56/207150256.db2.gz UVMBSSZSEJBVJG-NRFANRHFSA-N 0 0 392.547 4.244 40 0 GIABRN COCCOc1cccc(CN2CCc3onc(Nc4cccc(F)c4)c3C2)c1 ZINC000019593801 207144037 /nfs/dbraw/zinc/14/40/37/207144037.db2.gz LXFCDHUHKVLSGE-UHFFFAOYSA-N 0 0 397.450 4.141 40 0 GIABRN O=C(Nc1cnn(Cc2ccccc2F)c1)c1cc(-c2ccc(F)cc2)no1 ZINC000019659408 207144998 /nfs/dbraw/zinc/14/49/98/207144998.db2.gz KIHPCVJRSHXYPH-UHFFFAOYSA-N 0 0 380.354 4.117 40 0 GIABRN Cc1cccc(-c2noc(CCC(=O)N[C@H]3CC(C)(C)Oc4ccccc43)n2)c1 ZINC000019659690 207145488 /nfs/dbraw/zinc/14/54/88/207145488.db2.gz DIGOKINLDWDHAI-SFHVURJKSA-N 0 0 391.471 4.396 40 0 GIABRN COCc1nc2ccccc2n1CC(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000019656410 207145737 /nfs/dbraw/zinc/14/57/37/207145737.db2.gz CBTBPVBGJAVXHL-UHFFFAOYSA-N 0 0 379.460 4.143 40 0 GIABRN Cc1c2cc(Cl)ccc2n(C)c1C(=O)N(Cc1ccccn1)C[C@H]1CCCO1 ZINC000019656266 207146355 /nfs/dbraw/zinc/14/63/55/207146355.db2.gz HIQZBFLIOFRJBS-GOSISDBHSA-N 0 0 397.906 4.357 40 0 GIABRN Cc1noc2nc(C)cc(C(=O)N(Cc3ccccc3)Cc3cccc(C)n3)c12 ZINC000019662728 207146633 /nfs/dbraw/zinc/14/66/33/207146633.db2.gz LJNLGDGBZFDWBU-UHFFFAOYSA-N 0 0 386.455 4.386 40 0 GIABRN COc1ccc([C@H](NC(=O)C2(c3cccc(C)c3)CCOCC2)C2CC2)cc1 ZINC000019662525 207146721 /nfs/dbraw/zinc/14/67/21/207146721.db2.gz PNRUADLSUOLXRN-JOCHJYFZSA-N 0 0 379.500 4.319 40 0 GIABRN COc1ccc([C@H](NC(=O)C2(c3cccc(F)c3)CCOCC2)C2CC2)cc1 ZINC000019662028 207146874 /nfs/dbraw/zinc/14/68/74/207146874.db2.gz BMVJOSCVRKNPPK-OAQYLSRUSA-N 0 0 383.463 4.150 40 0 GIABRN Cc1nc([C@H]2CCCCN2C(C)C)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019703713 207151226 /nfs/dbraw/zinc/15/12/26/207151226.db2.gz DCAOKELIFCMJJO-HXUWFJFHSA-N 0 0 378.520 4.200 40 0 GIABRN COc1ccc(CNc2ccc([C@@H]3CCc4nncn4C3)cc2)cc1OC(C)C ZINC000019699170 207151346 /nfs/dbraw/zinc/15/13/46/207151346.db2.gz SGXGBDHSCBSNIP-LJQANCHMSA-N 0 0 392.503 4.416 40 0 GIABRN CCOc1cccc2sc(NC(=O)CC[C@@H]3C(=O)Nc4ccccc43)nc21 ZINC000019714411 207152503 /nfs/dbraw/zinc/15/25/03/207152503.db2.gz MNKRYSXELLULMX-ZDUSSCGKSA-N 0 0 381.457 4.150 40 0 GIABRN CC[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(-c2cccc(OC)c2)[nH]c1=O ZINC000019717216 207153529 /nfs/dbraw/zinc/15/35/29/207153529.db2.gz PAGDDEREBMIMDU-OAQYLSRUSA-N 0 0 394.446 4.413 40 0 GIABRN CCc1nc2ccccc2n1[C@H](C)C(=O)NCc1ccccc1N1CCCC1 ZINC000019718460 207155072 /nfs/dbraw/zinc/15/50/72/207155072.db2.gz MULVJPIAZLZJLF-QGZVFWFLSA-N 0 0 376.504 4.076 40 0 GIABRN Cn1c2ccccc2nc1[C@@H]1CCCN(C(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC000019718429 207156040 /nfs/dbraw/zinc/15/60/40/207156040.db2.gz RCZOPRVMJUCHDD-MRXNPFEDSA-N 0 0 379.479 4.396 40 0 GIABRN O=C(CC1CCN(C(=O)CC2CCCCC2)CC1)N(Cc1ccccn1)C1CC1 ZINC000019748751 207159850 /nfs/dbraw/zinc/15/98/50/207159850.db2.gz BPCBJHFJAQGRQZ-UHFFFAOYSA-N 0 0 397.563 4.172 40 0 GIABRN Cc1nc(CC2CCN(C(=O)Cc3ccccc3)CC2)cc(NC2CCCC2)n1 ZINC000019754747 207159860 /nfs/dbraw/zinc/15/98/60/207159860.db2.gz IJWWIMBNQVBAGB-UHFFFAOYSA-N 0 0 392.547 4.163 40 0 GIABRN CCCn1ncc2ccc([C@@H]3CCCN(C(=O)c4cccc5ncccc54)C3)nc21 ZINC000019742220 207157268 /nfs/dbraw/zinc/15/72/68/207157268.db2.gz VAFGEGYFIRDUFZ-GOSISDBHSA-N 0 0 399.498 4.409 40 0 GIABRN CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3[nH]c(C)c(C)c32)CC1 ZINC000019747045 207157426 /nfs/dbraw/zinc/15/74/26/207157426.db2.gz FXIOZHPIEVKBCT-NRFANRHFSA-N 0 0 381.520 4.038 40 0 GIABRN CN(CCc1ccccc1)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCO1 ZINC000019740133 207157599 /nfs/dbraw/zinc/15/75/99/207157599.db2.gz ZSHNLVDLZICJBY-DEOSSOPVSA-N 0 0 390.483 4.134 40 0 GIABRN CC(C)c1csc(NC(=O)CC2CCN(C(=O)Cc3ccccc3)CC2)n1 ZINC000019748859 207158882 /nfs/dbraw/zinc/15/88/82/207158882.db2.gz AZNLSCCGVQCCTO-UHFFFAOYSA-N 0 0 385.533 4.076 40 0 GIABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(I)cc1 ZINC000020048609 207176089 /nfs/dbraw/zinc/17/60/89/207176089.db2.gz KUBWYEUKTZVWDL-HNNXBMFYSA-N 0 0 399.203 4.226 40 0 GIABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1-n1ccnc1 ZINC000020108284 207176911 /nfs/dbraw/zinc/17/69/11/207176911.db2.gz AWKCPVAIEICVQL-KRWDZBQOSA-N 0 0 377.488 4.254 40 0 GIABRN CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2cccc(C)c2)cc1OC ZINC000020104686 207177808 /nfs/dbraw/zinc/17/78/08/207177808.db2.gz FVDMUMAEMDENDV-HXUWFJFHSA-N 0 0 385.504 4.309 40 0 GIABRN COc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1OC ZINC000020107296 207177867 /nfs/dbraw/zinc/17/78/67/207177867.db2.gz DWMDMHXWJWHUBB-DEOSSOPVSA-N 0 0 375.468 4.461 40 0 GIABRN CCOc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000019933013 207171396 /nfs/dbraw/zinc/17/13/96/207171396.db2.gz NCERPXLQTNPILL-YVGNARHYSA-N 0 0 385.460 4.002 40 0 GIABRN O=C(Nc1ccccc1Oc1ccccc1)c1cnc(-c2ccccc2)[nH]c1=O ZINC000019937313 207171821 /nfs/dbraw/zinc/17/18/21/207171821.db2.gz FZBOTADSNXTOBC-UHFFFAOYSA-N 0 0 383.407 4.482 40 0 GIABRN CCOc1cccc(CNC(=O)COc2cc(C)c(Br)c(C)c2)c1 ZINC000019932537 207172192 /nfs/dbraw/zinc/17/21/92/207172192.db2.gz POLPMDFCAGHZMI-UHFFFAOYSA-N 0 0 392.293 4.160 40 0 GIABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Br)cc2)cc1C ZINC000020029920 207174476 /nfs/dbraw/zinc/17/44/76/207174476.db2.gz LQUGNHAKOAPYRL-ZDUSSCGKSA-N 0 0 398.322 4.196 40 0 GIABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1 ZINC000020151587 207180297 /nfs/dbraw/zinc/18/02/97/207180297.db2.gz ANJRDZGKVBIGTB-UHFFFAOYSA-N 0 0 380.469 4.183 40 0 GIABRN COc1ccc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1 ZINC000020144658 207180548 /nfs/dbraw/zinc/18/05/48/207180548.db2.gz SMYNRUVNVFULEH-UHFFFAOYSA-N 0 0 387.819 4.118 40 0 GIABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc(Cl)ccc1OC ZINC000020141213 207181073 /nfs/dbraw/zinc/18/10/73/207181073.db2.gz IIQNFKIEXFSZHZ-UHFFFAOYSA-N 0 0 387.819 4.362 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c(Cl)c1Cl ZINC000020484993 207197736 /nfs/dbraw/zinc/19/77/36/207197736.db2.gz SPSKDZURXWDJLJ-CYBMUJFWSA-N 0 0 386.300 4.358 40 0 GIABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccccc1-n1ccnc1C ZINC000020495319 207198460 /nfs/dbraw/zinc/19/84/60/207198460.db2.gz GIMSYVFGHGGCHK-NRFANRHFSA-N 0 0 377.488 4.271 40 0 GIABRN CCS(=O)(=O)N1c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2C[C@@H]1C ZINC000020449074 207193274 /nfs/dbraw/zinc/19/32/74/207193274.db2.gz WIGLQVJYKBBCPO-ZDUSSCGKSA-N 0 0 392.908 4.001 40 0 GIABRN CCS(=O)(=O)N1c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2C[C@@H]1C ZINC000020449002 207193960 /nfs/dbraw/zinc/19/39/60/207193960.db2.gz ZQGWYQVOFUTCRV-HNNXBMFYSA-N 0 0 386.517 4.163 40 0 GIABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000020482437 207196058 /nfs/dbraw/zinc/19/60/58/207196058.db2.gz GMDWPLWMKLZNHT-QFIPXVFZSA-N 0 0 385.467 4.499 40 0 GIABRN Cc1nccn1-c1ccccc1CNC(=O)COc1ccc(Cl)cc1Cl ZINC000020488129 207197177 /nfs/dbraw/zinc/19/71/77/207197177.db2.gz NRRXZQKOGMPQSB-UHFFFAOYSA-N 0 0 390.270 4.183 40 0 GIABRN Fc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3cnc4ccccc4c3)n2)cc1 ZINC000067898770 207202843 /nfs/dbraw/zinc/20/28/43/207202843.db2.gz OMELPJCAOWLVHY-QFIPXVFZSA-N 0 0 388.446 4.338 40 0 biogenic,in-vitro GIABRN COc1ccc(-c2c(N)n3nc(-c4ccccc4)nc3nc2C(C)C)cc1OC ZINC000020638520 207209299 /nfs/dbraw/zinc/20/92/99/207209299.db2.gz ZAZFLICLRJEQPV-UHFFFAOYSA-N 0 0 389.459 4.181 40 0 GIABRN COc1ccc([C@H]2CC(=O)c3cn4nc(SCCC(C)C)nc4nc3C2)cc1 ZINC000020671676 207209583 /nfs/dbraw/zinc/20/95/83/207209583.db2.gz PWOJYEZNEHSPNZ-OAHLLOKOSA-N 0 0 396.516 4.184 40 0 GIABRN Cn1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(=O)c2ccccc21 ZINC000022234168 207249120 /nfs/dbraw/zinc/24/91/20/207249120.db2.gz RGPMSJNHKKXDQF-UHFFFAOYSA-N 0 0 380.753 4.463 40 0 GIABRN O=C(NC(c1ccccc1)c1ccccc1)c1cn2c3c(cccc3c1=O)CCC2 ZINC000022235530 207249408 /nfs/dbraw/zinc/24/94/08/207249408.db2.gz ZLWXCEGFSMZOKD-UHFFFAOYSA-N 0 0 394.474 4.467 40 0 GIABRN CCn1cc(C(=O)Nc2ccccc2OC)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236818 207249748 /nfs/dbraw/zinc/24/97/48/207249748.db2.gz VTJNKPYJOKTCQD-UHFFFAOYSA-N 0 0 390.361 4.301 40 0 GIABRN CCOc1ccc(S(=O)(=O)Nc2ccc3nc(C)sc3c2)cc1Cl ZINC000022255202 207250358 /nfs/dbraw/zinc/25/03/58/207250358.db2.gz GQRPUNRRQVRYNH-UHFFFAOYSA-N 0 0 382.894 4.458 40 0 GIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000022519026 207255162 /nfs/dbraw/zinc/25/51/62/207255162.db2.gz WEYNMXMXTHOZRD-INIZCTEOSA-N 0 0 379.840 4.162 40 0 GIABRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)ccc1N1CCCC1=O ZINC000022524211 207255793 /nfs/dbraw/zinc/25/57/93/207255793.db2.gz MSPXJNCSOQKBSO-UHFFFAOYSA-N 0 0 399.299 4.229 40 0 GIABRN CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000022511150 207255818 /nfs/dbraw/zinc/25/58/18/207255818.db2.gz LBOMMNDTXHPHGR-XLIBHFEYSA-N 0 0 392.543 4.318 40 0 GIABRN COc1cc2ccccc2cc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000022530168 207256443 /nfs/dbraw/zinc/25/64/43/207256443.db2.gz NNCSWEIOJLMLER-JXMROGBWSA-N 0 0 386.495 4.320 40 0 GIABRN CCOC(=O)c1cnc2c(-c3cccc(Cl)c3)c(CC)nn2c1/C=C/N(C)C ZINC000022607526 207256842 /nfs/dbraw/zinc/25/68/42/207256842.db2.gz UENVLGMMIBPOED-ZHACJKMWSA-N 0 0 398.894 4.321 40 0 GIABRN CCCCCOc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c2ccccc12 ZINC000028251910 207338015 /nfs/dbraw/zinc/33/80/15/207338015.db2.gz KCOPOXIUENAZHR-IRXDYDNUSA-N 0 0 391.533 4.207 40 0 GIABRN COc1ccc(CCNC(=O)CCc2ccc(Cl)cc2Cl)cc1OC ZINC000028276313 207339184 /nfs/dbraw/zinc/33/91/84/207339184.db2.gz FRSSQMCPCMKZNL-UHFFFAOYSA-N 0 0 382.287 4.302 40 0 GIABRN COc1cc(CNC(=O)CCc2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000028441104 207342151 /nfs/dbraw/zinc/34/21/51/207342151.db2.gz RMEOWSFUKOCKAB-UHFFFAOYSA-N 0 0 398.286 4.268 40 0 GIABRN CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000029507486 207363271 /nfs/dbraw/zinc/36/32/71/207363271.db2.gz RKZHZFIUUCCZQJ-UHFFFAOYSA-N 0 0 396.468 4.493 40 0 GIABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1C ZINC000030756472 207373306 /nfs/dbraw/zinc/37/33/06/207373306.db2.gz XGMCCORJLUGPDY-QGZVFWFLSA-N 0 0 392.455 4.232 40 0 GIABRN CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000030753820 207374095 /nfs/dbraw/zinc/37/40/95/207374095.db2.gz XUAAXRKIVSWJBZ-OAQYLSRUSA-N 0 0 394.496 4.369 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCC3)cc2Cl)cc1 ZINC000030859063 207375699 /nfs/dbraw/zinc/37/56/99/207375699.db2.gz QMYTZTAHNULKDQ-UHFFFAOYSA-N 0 0 392.908 4.122 40 0 GIABRN CCOC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ccccc3)cc2)C1=O ZINC000032115747 207393089 /nfs/dbraw/zinc/39/30/89/207393089.db2.gz ASIVSIQEVKRGCG-ATVHPVEESA-N 0 0 383.425 4.078 40 0 GIABRN CCCCCC(=O)NC(=S)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000032126749 207394069 /nfs/dbraw/zinc/39/40/69/207394069.db2.gz XMNMNKCLZKEMHJ-UHFFFAOYSA-N 0 0 376.334 4.418 40 0 GIABRN O=C(NC(=S)Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccccc1 ZINC000032127662 207394185 /nfs/dbraw/zinc/39/41/85/207394185.db2.gz WNXFKLVHBMQOSU-UHFFFAOYSA-N 0 0 382.297 4.152 40 0 GIABRN Cc1nn2c(nnc3c2ccn(CCC(C)C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395962 207597813 /nfs/dbraw/zinc/59/78/13/207597813.db2.gz PKCPHAKGDWSYRI-UHFFFAOYSA-N 0 0 381.867 4.114 40 0 GIABRN O=C(CSCc1ccc(Cl)cc1)NCc1nc(-c2cccs2)no1 ZINC000065778548 207876805 /nfs/dbraw/zinc/87/68/05/207876805.db2.gz GPDWTXBTHDKKLV-UHFFFAOYSA-N 0 0 379.894 4.001 40 0 GIABRN O=C(Nc1ccccn1)c1cccc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)n1 ZINC000072357439 208000017 /nfs/dbraw/zinc/00/00/17/208000017.db2.gz FMYATIVHNNDBBQ-GOSISDBHSA-N 0 0 392.503 4.015 40 0 GIABRN O=C(c1cnccn1)N1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1 ZINC000072357844 208000426 /nfs/dbraw/zinc/00/04/26/208000426.db2.gz LSNHZIJGFNVHRT-FQEVSTJZSA-N 0 0 378.863 4.093 40 0 GIABRN COCCC(=O)N1CCC[C@H](c2cc(Cc3cccc(Cl)c3)cc(C)n2)C1 ZINC000072353915 208000823 /nfs/dbraw/zinc/00/08/23/208000823.db2.gz WEVUTFKKJJEXQP-IBGZPJMESA-N 0 0 386.923 4.377 40 0 GIABRN O=C(Cc1ccc(Cl)cc1)N1CCC(c2cc(Nc3ccccn3)n[nH]2)CC1 ZINC000072355037 208000983 /nfs/dbraw/zinc/00/09/83/208000983.db2.gz BMLARDFNKMIGMI-UHFFFAOYSA-N 0 0 395.894 4.150 40 0 GIABRN Cc1ccc(Cc2cccc([C@H]3CCCN3CC(=O)Nc3nccs3)n2)cc1 ZINC000072357698 208001611 /nfs/dbraw/zinc/00/16/11/208001611.db2.gz OBFBGBXPXRTMOM-HXUWFJFHSA-N 0 0 392.528 4.213 40 0 GIABRN O=C(c1ccc(F)cc1)N1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 ZINC000072359342 208002482 /nfs/dbraw/zinc/00/24/82/208002482.db2.gz ZMFIXPNTAJKARN-UHFFFAOYSA-N 0 0 379.410 4.442 40 0 GIABRN O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 ZINC000072358925 208004043 /nfs/dbraw/zinc/00/40/43/208004043.db2.gz MVVANDJPHYZJTM-QGZVFWFLSA-N 0 0 393.437 4.371 40 0 GIABRN Cc1cc(N2CC[C@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)nc(C)n1 ZINC000072371417 208005533 /nfs/dbraw/zinc/00/55/33/208005533.db2.gz CCIHUOWDBZHZTH-INIZCTEOSA-N 0 0 397.910 4.085 40 0 GIABRN Cc1ccc2cc3c(nc2c1C)OC(=O)N(CCc1ccc2c(c1)OCO2)C3 ZINC000072389621 208011064 /nfs/dbraw/zinc/01/10/64/208011064.db2.gz TXHZUOZAWSZMFP-UHFFFAOYSA-N 0 0 376.412 4.137 40 0 GIABRN CCOc1cc(S(=O)(=O)N(CC)c2cccc(C)c2)ccc1Br ZINC000072414373 208017976 /nfs/dbraw/zinc/01/79/76/208017976.db2.gz SIQYJOYDVIGEFC-UHFFFAOYSA-N 0 0 398.322 4.371 40 0 GIABRN COc1ccc(-c2nc(-c3noc4ccc(C(=O)NC(C)C)cc43)co2)cc1 ZINC000096154274 208277981 /nfs/dbraw/zinc/27/79/81/208277981.db2.gz CDALXYIIEJSMNX-UHFFFAOYSA-N 0 0 377.400 4.297 40 0 GIABRN CCN(Cc1ccccc1)C(=O)c1cc2c(c3ccccc3n2C)n1CCOC ZINC000096037226 208256574 /nfs/dbraw/zinc/25/65/74/208256574.db2.gz GHQFPVVJXCZMGL-UHFFFAOYSA-N 0 0 389.499 4.442 40 0 GIABRN COCCn1c(C(=O)Nc2ccc(C)cc2F)cc2c1c1ccccc1n2C ZINC000096062662 208257921 /nfs/dbraw/zinc/25/79/21/208257921.db2.gz LGEAZILFMQCCIB-UHFFFAOYSA-N 0 0 379.435 4.479 40 0 GIABRN CCC(CC)NC(=O)c1cnc(-c2noc3cc(N4CCCC4)ccc32)s1 ZINC000096154560 208279699 /nfs/dbraw/zinc/27/96/99/208279699.db2.gz DLZNASDKAODKAL-UHFFFAOYSA-N 0 0 384.505 4.470 40 0 GIABRN CC(C)n1c2cc(C(=O)N3CCC[C@H]3C)n(C(=O)N(C)C)c2c2ccccc21 ZINC000096264206 208298837 /nfs/dbraw/zinc/29/88/37/208298837.db2.gz HPKKWWXLOXBJQM-OAHLLOKOSA-N 0 0 380.492 4.331 40 0 GIABRN Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)c3ccccc3F)CC2)on1 ZINC000100744006 208381176 /nfs/dbraw/zinc/38/11/76/208381176.db2.gz ZACCAGGXZUDJLQ-IYBDPMFKSA-N 0 0 396.466 4.226 40 0 GIABRN CCc1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccccn4)o3)CC2)cs1 ZINC000100155990 208370889 /nfs/dbraw/zinc/37/08/89/208370889.db2.gz CQFREJHZZXUYBS-GASCZTMLSA-N 0 0 396.516 4.459 40 0 GIABRN O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccncc3)o2)CC1)c1cccc(F)c1F ZINC000100155806 208372490 /nfs/dbraw/zinc/37/24/90/208372490.db2.gz AVIAPGJJHKHEGY-OKILXGFUSA-N 0 0 398.413 4.114 40 0 GIABRN C[C@@H](NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)c1ccccc1 ZINC000408704558 533058320 /nfs/dbraw/zinc/05/83/20/533058320.db2.gz POLPDLZPQWMLQD-MRXNPFEDSA-N 0 0 394.496 4.006 40 0 GIABRN CCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1cccnc1 ZINC000001361245 208495796 /nfs/dbraw/zinc/49/57/96/208495796.db2.gz XYYVDGYZHDMKTE-UHFFFAOYSA-N 0 0 381.505 4.098 40 0 GIABRN CCCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cccnc1 ZINC000001361269 208495981 /nfs/dbraw/zinc/49/59/81/208495981.db2.gz JRDJUVCQFNJIRX-UHFFFAOYSA-N 0 0 387.896 4.134 40 0 GIABRN Cn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1ccc(O)cc1 ZINC000000787014 208481172 /nfs/dbraw/zinc/48/11/72/208481172.db2.gz AWBSRLLBOZRIKK-UHFFFAOYSA-N 0 0 390.468 4.072 40 0 GIABRN O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)Nc1ccccc1F ZINC000001329350 208491408 /nfs/dbraw/zinc/49/14/08/208491408.db2.gz XRMLZHWGIXVXER-UHFFFAOYSA-N 0 0 378.432 4.495 40 0 GIABRN COc1cccc(-c2noc([C@H]3CCCN(C(=O)Nc4ccc(C)cc4)C3)n2)c1 ZINC000001362517 208495217 /nfs/dbraw/zinc/49/52/17/208495217.db2.gz MFHCXWXOROLDDF-KRWDZBQOSA-N 0 0 392.459 4.465 40 0 GIABRN O=C(NCc1ccc(F)cc1)[C@@H](OC(=O)c1cccs1)c1ccc(F)cc1 ZINC000001381250 208497686 /nfs/dbraw/zinc/49/76/86/208497686.db2.gz RWXJRGUBJHXMHO-SFHVURJKSA-N 0 0 387.407 4.241 40 0 GIABRN Cc1cccc2cc(CN(C(=O)c3ccco3)C3CCCCC3)c3nnnn3c12 ZINC000001376746 208497843 /nfs/dbraw/zinc/49/78/43/208497843.db2.gz YLJIRUNTEVKSPG-UHFFFAOYSA-N 0 0 389.459 4.154 40 0 GIABRN O=C(c1ccco1)N1CCC[C@@H](c2nc3ccc(-c4cccs4)cn3n2)C1 ZINC000306137155 209104211 /nfs/dbraw/zinc/10/42/11/209104211.db2.gz QMXJXHNVLQXPHC-OAHLLOKOSA-N 0 0 378.457 4.071 40 0 GIABRN CC[C@@H]1CCCCN1C(=O)CSc1nc2cc3c(cc2cc1C)OCCO3 ZINC000004170954 208538788 /nfs/dbraw/zinc/53/87/88/208538788.db2.gz XFFIHZXHLOFYFW-MRXNPFEDSA-N 0 0 386.517 4.198 40 0 GIABRN CCc1nc2sc(C)c(C)c2c(SCC(=O)NCc2cccs2)n1 ZINC000004241078 208540259 /nfs/dbraw/zinc/54/02/59/208540259.db2.gz SJGNMWSRQGKVOE-UHFFFAOYSA-N 0 0 377.560 4.341 40 0 GIABRN CC(C)N(C(=O)CSc1nnc2c3ccccc3nc(C(C)(C)C)n12)C(C)C ZINC000004898252 208546312 /nfs/dbraw/zinc/54/63/12/208546312.db2.gz XKENMSRDQDBWBD-UHFFFAOYSA-N 0 0 399.564 4.313 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@@H]3c2ccccc2F)cc1 ZINC000006679267 208681860 /nfs/dbraw/zinc/68/18/60/208681860.db2.gz RFGBPHYWYDVIDS-ORAYPTAESA-N 0 0 397.475 4.492 40 0 GIABRN COc1ccc([C@@H]2C[C@]3(CC(C)(C)NC(=S)N3)Oc3cc(O)cc(C)c32)cc1 ZINC000008686936 208698057 /nfs/dbraw/zinc/69/80/57/208698057.db2.gz YKCPJOFNMLHJSR-HTAPYJJXSA-N 0 0 398.528 4.378 40 0 GIABRN O=C1c2cccn2[C@@H]2CN(Cc3ccc(Cl)cc3)C[C@H]2N1Cc1cccs1 ZINC000306133850 209101511 /nfs/dbraw/zinc/10/15/11/209101511.db2.gz MXUJVUKRPRTQBC-WOJBJXKFSA-N 0 0 397.931 4.285 40 0 GIABRN O=C(NCCc1cccc(F)c1)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000015936139 208794588 /nfs/dbraw/zinc/79/45/88/208794588.db2.gz UQJAHDDHDJWEFT-INIZCTEOSA-N 0 0 383.492 4.011 40 0 GIABRN COc1ccc(NC(=S)N2CCC(C(=O)c3ccc(C)cc3)CC2)c(OC)c1 ZINC000013555962 208785247 /nfs/dbraw/zinc/78/52/47/208785247.db2.gz PGZHBLHYJJUQBZ-UHFFFAOYSA-N 0 0 398.528 4.304 40 0 GIABRN CC[C@H](NC(=O)c1ccc(I)cc1)c1ccc(OC)cc1 ZINC000018131723 208803896 /nfs/dbraw/zinc/80/38/96/208803896.db2.gz CQIYMRMOURAHES-INIZCTEOSA-N 0 0 395.240 4.181 40 0 GIABRN COc1ccccc1NC(=O)CSc1nnc(COc2cc(C)cc(C)c2)o1 ZINC000216033812 208819881 /nfs/dbraw/zinc/81/98/81/208819881.db2.gz FWCWQMKOWGJSCF-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN O=C(CSCc1ccc(F)cc1)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219263704 208844399 /nfs/dbraw/zinc/84/43/99/208844399.db2.gz GNZSAZXIFJCBAN-UHFFFAOYSA-N 0 0 391.855 4.079 40 0 GIABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)c1 ZINC000219304838 208845360 /nfs/dbraw/zinc/84/53/60/208845360.db2.gz MCDUNGQDDYTHJO-OAHLLOKOSA-N 0 0 385.489 4.149 40 0 GIABRN COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000219497950 208848340 /nfs/dbraw/zinc/84/83/40/208848340.db2.gz TWHOUVMNIMJSDV-INIZCTEOSA-N 0 0 375.424 4.332 40 0 GIABRN CC[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220503013 208861732 /nfs/dbraw/zinc/86/17/32/208861732.db2.gz NQKHLHCPKLLBSD-SFHVURJKSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@H](C(=O)Nc1cc(C)cc(C)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220558368 208863252 /nfs/dbraw/zinc/86/32/52/208863252.db2.gz VUCNPZZMVJGGRX-HXUWFJFHSA-N 0 0 388.533 4.104 40 0 GIABRN Cc1ccc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1Cl ZINC000222552812 208877522 /nfs/dbraw/zinc/87/75/22/208877522.db2.gz CCNINHIWTZGHAE-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN CCC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222585574 208877891 /nfs/dbraw/zinc/87/78/91/208877891.db2.gz CSBMNKPEAMYZAL-JOCHJYFZSA-N 0 0 380.532 4.117 40 0 GIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccnc2)c1C ZINC000222864111 208885668 /nfs/dbraw/zinc/88/56/68/208885668.db2.gz DNDHOXDIPPNZAJ-SFTDATJTSA-N 0 0 391.544 4.267 40 0 GIABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1OC ZINC000222865541 208885856 /nfs/dbraw/zinc/88/58/56/208885856.db2.gz PSLDNXMBAVLQRG-NHCUHLMSSA-N 0 0 392.528 4.263 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222903762 208887346 /nfs/dbraw/zinc/88/73/46/208887346.db2.gz GMXIXIIPULSDSO-QGZVFWFLSA-N 0 0 384.495 4.009 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222964905 208888989 /nfs/dbraw/zinc/88/89/89/208888989.db2.gz VABGVHGJCYHPFY-SFHVURJKSA-N 0 0 393.314 4.089 40 0 GIABRN COc1ccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)cc1C(C)C ZINC000223005522 208889428 /nfs/dbraw/zinc/88/94/28/208889428.db2.gz KYFIZFAZSPIAEI-UHFFFAOYSA-N 0 0 387.423 4.316 40 0 GIABRN C[C@H](Oc1cccc2ccccc21)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000223003760 208889863 /nfs/dbraw/zinc/88/98/63/208889863.db2.gz RZXHWTJDYSVLJY-IBGZPJMESA-N 0 0 389.495 4.472 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 ZINC000222997395 208890089 /nfs/dbraw/zinc/89/00/89/208890089.db2.gz TVULCEKXNBMQLP-JOCHJYFZSA-N 0 0 396.531 4.016 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000223010555 208890525 /nfs/dbraw/zinc/89/05/25/208890525.db2.gz GALMOZDUJHNDFY-GOSISDBHSA-N 0 0 391.895 4.182 40 0 GIABRN COc1ccc(-c2ncc(C(=O)Nc3ccc(Br)cc3)c(C)n2)cc1 ZINC000223140860 208894099 /nfs/dbraw/zinc/89/40/99/208894099.db2.gz INAMUIDBDPZCRI-UHFFFAOYSA-N 0 0 398.260 4.475 40 0 GIABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)CCCC2 ZINC000223157153 208894428 /nfs/dbraw/zinc/89/44/28/208894428.db2.gz MZVRTVCONFVXLS-INIZCTEOSA-N 0 0 380.488 4.111 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C ZINC000222730126 208883080 /nfs/dbraw/zinc/88/30/80/208883080.db2.gz XWOHOZJFHCUJQG-CQSZACIVSA-N 0 0 393.314 4.008 40 0 GIABRN O=S(=O)(Cc1ccc(Br)cc1)NCc1ccc2ccccc2c1 ZINC000222783630 208884140 /nfs/dbraw/zinc/88/41/40/208884140.db2.gz CLVRLOYDTSNDQM-UHFFFAOYSA-N 0 0 390.302 4.222 40 0 GIABRN CC[C@@H](Oc1ccccc1OC)C(=O)NCCOc1ccccc1C(C)(C)C ZINC000223718555 208910146 /nfs/dbraw/zinc/91/01/46/208910146.db2.gz DZHBIOQJWHTXPA-GOSISDBHSA-N 0 0 385.504 4.345 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223531448 208904821 /nfs/dbraw/zinc/90/48/21/208904821.db2.gz QIFBTYCORRGMCW-LJQANCHMSA-N 0 0 394.559 4.470 40 0 GIABRN CCC[C@H](C)NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000224309942 208923839 /nfs/dbraw/zinc/92/38/39/208923839.db2.gz KZIUFNSBQCNWMB-KRWDZBQOSA-N 0 0 388.533 4.047 40 0 GIABRN Cc1cccc(OCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000224480807 208926726 /nfs/dbraw/zinc/92/67/26/208926726.db2.gz NAOOKTFCWZIRPZ-UHFFFAOYSA-N 0 0 383.469 4.145 40 0 GIABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000223982737 208914249 /nfs/dbraw/zinc/91/42/49/208914249.db2.gz HBVOKUJVERWOMI-LJQANCHMSA-N 0 0 393.527 4.197 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCOc2cc(C)ccc2C)cc1C(C)C ZINC000224048415 208915426 /nfs/dbraw/zinc/91/54/26/208915426.db2.gz UBHPJCJVYHQJKH-UHFFFAOYSA-N 0 0 391.533 4.101 40 0 GIABRN O=C(c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)N1CCCCCC1 ZINC000224029300 208916044 /nfs/dbraw/zinc/91/60/44/208916044.db2.gz KZHUDYKKOXWGCU-UHFFFAOYSA-N 0 0 392.908 4.157 40 0 GIABRN COc1ccc2c(c1)[C@H](NC(=O)CCc1ccc(OC)c(C)c1)CC(C)(C)O2 ZINC000223987594 208916552 /nfs/dbraw/zinc/91/65/52/208916552.db2.gz JMLCRPFTEHVXHL-LJQANCHMSA-N 0 0 383.488 4.363 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 ZINC000224073981 208918010 /nfs/dbraw/zinc/91/80/10/208918010.db2.gz NKVATGUMVSIJKK-QFIPXVFZSA-N 0 0 398.522 4.134 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC(C)(C)CC(C)(C)C ZINC000224098864 208918287 /nfs/dbraw/zinc/91/82/87/208918287.db2.gz IKHXFIUBONTLRN-UHFFFAOYSA-N 0 0 394.581 4.114 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224167934 208918961 /nfs/dbraw/zinc/91/89/61/208918961.db2.gz RQISMNIVTNJSFA-HXUWFJFHSA-N 0 0 380.532 4.035 40 0 GIABRN CCc1ccccc1N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O ZINC000224660230 208931417 /nfs/dbraw/zinc/93/14/17/208931417.db2.gz BPMHGEMUAQWOKI-UHFFFAOYSA-N 0 0 396.597 4.126 40 0 GIABRN CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000224802718 208934970 /nfs/dbraw/zinc/93/49/70/208934970.db2.gz VDTMEYCCOOHQRJ-UHFFFAOYSA-N 0 0 390.288 4.226 40 0 GIABRN CCC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224873393 208935933 /nfs/dbraw/zinc/93/59/33/208935933.db2.gz UAUMOIUZKYECNO-FQEVSTJZSA-N 0 0 386.923 4.215 40 0 GIABRN O=C(Cc1cccc(Cl)c1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000224959542 208937347 /nfs/dbraw/zinc/93/73/47/208937347.db2.gz XIVOUNOVODMMOG-UHFFFAOYSA-N 0 0 378.859 4.451 40 0 GIABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC ZINC000225121986 208942556 /nfs/dbraw/zinc/94/25/56/208942556.db2.gz SZHYTLMKWPUKGR-GOSISDBHSA-N 0 0 384.501 4.496 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NC(c2ccccc2)c2ccccc2)c(C)c1 ZINC000225123367 208942870 /nfs/dbraw/zinc/94/28/70/208942870.db2.gz QALLBDJTCGYSJW-UHFFFAOYSA-N 0 0 381.497 4.380 40 0 GIABRN CC[C@@H](NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccc(OC)c(C)c1 ZINC000225208985 208944442 /nfs/dbraw/zinc/94/44/42/208944442.db2.gz VXNLVHHMQCPKPK-QGZVFWFLSA-N 0 0 377.506 4.059 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1cc(C)ccc1C ZINC000225194028 208944549 /nfs/dbraw/zinc/94/45/49/208944549.db2.gz UGZKFMCAIQDYQU-IBGZPJMESA-N 0 0 398.522 4.319 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1cc(C)cc(C)c1 ZINC000225200210 208944650 /nfs/dbraw/zinc/94/46/50/208944650.db2.gz ZIAQRUCXTJRRRX-IBGZPJMESA-N 0 0 398.522 4.319 40 0 GIABRN Cc1ccc(SCCNC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000225286823 208947557 /nfs/dbraw/zinc/94/75/57/208947557.db2.gz DCBHGDIUNFMAFS-UHFFFAOYSA-N 0 0 385.558 4.201 40 0 GIABRN CC1=C[C@@H](CNC(=O)c2cccnc2)[C@H](C(C)C)C[C@H]1CC(=O)NC1CCCC1 ZINC000225398895 208950767 /nfs/dbraw/zinc/95/07/67/208950767.db2.gz DWQWUJJSBZGDQV-ONTIZHBOSA-N 0 0 397.563 4.115 40 0 biogenic,in-vitro GIABRN COc1ccc(NC(=S)NCCCSCc2ccc(Cl)cc2)cn1 ZINC000225611093 208963863 /nfs/dbraw/zinc/96/38/63/208963863.db2.gz PVLMNVPLBQJYOR-UHFFFAOYSA-N 0 0 381.954 4.354 40 0 GIABRN Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 ZINC000225638223 208964085 /nfs/dbraw/zinc/96/40/85/208964085.db2.gz DTRQESBZCSHABD-QGZVFWFLSA-N 0 0 397.544 4.184 40 0 GIABRN Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)CC(C)(C)O2 ZINC000225676210 208966626 /nfs/dbraw/zinc/96/66/26/208966626.db2.gz MRALKHGLXNYGRU-GOSISDBHSA-N 0 0 397.544 4.286 40 0 GIABRN O=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1ccc(Br)cc1 ZINC000225734011 208971890 /nfs/dbraw/zinc/97/18/90/208971890.db2.gz JUVOJLNTZYMGPB-UHFFFAOYSA-N 0 0 391.652 4.056 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 ZINC000225556835 208959486 /nfs/dbraw/zinc/95/94/86/208959486.db2.gz OKQORIYTASJWBG-KNQAVFIVSA-N 0 0 380.532 4.260 40 0 GIABRN CC(C)Oc1ccc(CCCNC(=S)Nc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000225569919 208959789 /nfs/dbraw/zinc/95/97/89/208959789.db2.gz MEQALOSNUFQRTB-UHFFFAOYSA-N 0 0 399.560 4.095 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)C)c1 ZINC000225554891 208960583 /nfs/dbraw/zinc/96/05/83/208960583.db2.gz KWWFJPJPFCKWJF-QGZVFWFLSA-N 0 0 386.923 4.133 40 0 GIABRN CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCCC)cc1C(=O)OC ZINC000225840360 208981147 /nfs/dbraw/zinc/98/11/47/208981147.db2.gz XKFVCJXWIDDNTF-NRFANRHFSA-N 0 0 379.497 4.432 40 0 GIABRN COC(=O)c1cccc(NC(=S)NC2(c3ccc(OC)cc3)CCCC2)c1 ZINC000225862750 208981658 /nfs/dbraw/zinc/98/16/58/208981658.db2.gz PKZJUYNKFDAAAE-UHFFFAOYSA-N 0 0 384.501 4.238 40 0 GIABRN COc1cc(C)nc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCC2)n1 ZINC000225974997 208984836 /nfs/dbraw/zinc/98/48/36/208984836.db2.gz MDUHSBABHHLPFH-UHFFFAOYSA-N 0 0 390.940 4.245 40 0 GIABRN CC(=O)O[C@@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000123368478 209006383 /nfs/dbraw/zinc/00/63/83/209006383.db2.gz FXIBWMJBQIDNKR-KACNBCGOSA-N 0 0 390.520 4.072 40 0 GIABRN O=C(c1ccoc1)N1CCC[C@@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 ZINC000306126677 209097880 /nfs/dbraw/zinc/09/78/80/209097880.db2.gz FBTCYLCNTZBDIT-QGZVFWFLSA-N 0 0 390.418 4.148 40 0 GIABRN O=C(c1ccc(Cl)s1)N1[C@@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 ZINC000096104145 209009406 /nfs/dbraw/zinc/00/94/06/209009406.db2.gz FPLOQDGHQIWQPZ-NNQSOWQGSA-N 0 0 395.933 4.011 40 0 GIABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000006336469 220930431 /nfs/dbraw/zinc/93/04/31/220930431.db2.gz UVKKDTWOEMHHGM-XCVCLJGOSA-N 0 0 389.249 4.068 40 0 GIABRN COCCC(=O)N[C@]1(C)C[C@H](c2ccc3ncccc3c2)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257205117 209055210 /nfs/dbraw/zinc/05/52/10/209055210.db2.gz AXSYBUFUNRHNDP-DSQRQMGKSA-N 0 0 396.531 4.412 40 0 GIABRN CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)n(C)n1 ZINC000257224739 209057311 /nfs/dbraw/zinc/05/73/11/209057311.db2.gz FDCTZOVRPIACIM-HXUWFJFHSA-N 0 0 392.503 4.490 40 0 GIABRN CC(C)c1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)n(C)n1 ZINC000257219035 209058087 /nfs/dbraw/zinc/05/80/87/209058087.db2.gz DFIVZQQZCVKMKR-LJQANCHMSA-N 0 0 396.466 4.239 40 0 GIABRN CC(C)(C)c1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4)o3)C2)[nH]n1 ZINC000257259321 209061175 /nfs/dbraw/zinc/06/11/75/209061175.db2.gz KXUKHSKMVVGHHZ-KRWDZBQOSA-N 0 0 392.503 4.306 40 0 GIABRN CCC[C@H]1CCN(S(=O)(=O)c2ccccc2)C[C@H]1Nc1cccc(F)c1 ZINC000257266037 209063626 /nfs/dbraw/zinc/06/36/26/209063626.db2.gz MBHYKWVCNIMSMF-OXJNMPFZSA-N 0 0 376.497 4.117 40 0 GIABRN CC(C)c1ncc(-n2nnnc2-c2ccccc2)c(-c2ccc(F)cc2F)n1 ZINC000016576011 221364595 /nfs/dbraw/zinc/36/45/95/221364595.db2.gz ZCJHABWRBUWFLR-UHFFFAOYSA-N 0 0 378.386 4.188 40 0 GIABRN Cc1cnc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)cn1 ZINC000257274045 209066780 /nfs/dbraw/zinc/06/67/80/209066780.db2.gz NJIRTHCKJYAKJD-LJQANCHMSA-N 0 0 396.878 4.385 40 0 GIABRN CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)CC)CC1 ZINC000257286483 209068079 /nfs/dbraw/zinc/06/80/79/209068079.db2.gz PLTJGWQULUGEPR-UHFFFAOYSA-N 0 0 396.506 4.190 40 0 GIABRN CC(C)(C)CC(=O)N1CCC(Cc2cccc(-c3cccs3)c2)(C(N)=O)CC1 ZINC000257291099 209068590 /nfs/dbraw/zinc/06/85/90/209068590.db2.gz QFQKKXIXRLBGID-UHFFFAOYSA-N 0 0 398.572 4.488 40 0 GIABRN Cn1nccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257285925 209068850 /nfs/dbraw/zinc/06/88/50/209068850.db2.gz PJLJYCBLFLWPDZ-KRWDZBQOSA-N 0 0 384.867 4.020 40 0 GIABRN CCCC(=O)N1CCC(Cc2ccccc2-c2ccccc2C)(C(N)=O)CC1 ZINC000257300392 209070521 /nfs/dbraw/zinc/07/05/21/209070521.db2.gz RUCLBHMLBAEBAD-UHFFFAOYSA-N 0 0 378.516 4.099 40 0 GIABRN CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CC[N@H+](CCCC(=O)[O-])C[C@@H]3C[C@H]21 ZINC000257300486 209071412 /nfs/dbraw/zinc/07/14/12/209071412.db2.gz RUMVUWFHZFBUJQ-ITSWUFQBSA-N 0 0 393.911 4.144 40 0 GIABRN Cc1noc(C)c1-c1cc([C@H]2CCCN2C(=O)CCc2ccccc2)nc(C)n1 ZINC000257303353 209071593 /nfs/dbraw/zinc/07/15/93/209071593.db2.gz SGVPSVKAEURJHA-OAQYLSRUSA-N 0 0 390.487 4.353 40 0 GIABRN O=C(c1n[nH]c2ccccc21)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257305325 209072815 /nfs/dbraw/zinc/07/28/15/209072815.db2.gz SPLADMJZRNTBSC-LJQANCHMSA-N 0 0 390.418 4.258 40 0 GIABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000010337832 533380043 /nfs/dbraw/zinc/38/00/43/533380043.db2.gz STQFYEZCHKYDPR-UHFFFAOYSA-N 0 0 398.459 4.044 40 0 GIABRN COc1c(F)c(F)c(C(=O)Nc2ccc(Br)cc2F)c(F)c1F ZINC000408619498 533427595 /nfs/dbraw/zinc/42/75/95/533427595.db2.gz CLHSNUFSILFVCG-UHFFFAOYSA-N 0 0 396.109 4.406 40 0 GIABRN COc1cc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)ccc1O ZINC000408802298 533474844 /nfs/dbraw/zinc/47/48/44/533474844.db2.gz YXWISDPELPAFJU-UHFFFAOYSA-N 0 0 375.857 4.126 40 0 GIABRN COc1cccc(CNC(=O)c2ccccc2NC(=O)c2cccc(F)c2)c1 ZINC000408616466 533509356 /nfs/dbraw/zinc/50/93/56/533509356.db2.gz ZCEMRGGWNQYUAR-UHFFFAOYSA-N 0 0 378.403 4.017 40 0 GIABRN Cc1ccc(OCc2nnc(SCC(=O)N3CCCc4ccccc43)o2)cc1 ZINC000000875851 136193074 /nfs/dbraw/zinc/19/30/74/136193074.db2.gz PTFTWCMMZIKTKV-UHFFFAOYSA-N 0 0 395.484 4.029 40 0 GIABRN CCOC(=O)[C@@H]1CCCN(c2cc(C)nc3cc(-c4ccc(Cl)cc4)nn32)C1 ZINC000001340724 136193219 /nfs/dbraw/zinc/19/32/19/136193219.db2.gz BFBLOMZCCUOYSR-MRXNPFEDSA-N 0 0 398.894 4.138 40 0 GIABRN CCCCOc1ccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)cc1 ZINC000004966092 136194339 /nfs/dbraw/zinc/19/43/39/136194339.db2.gz CVKONJUWVWABNQ-UHFFFAOYSA-N 0 0 382.508 4.127 40 0 GIABRN O=C(c1ccc(Cc2ccccc2)nc1)N1CCC(c2cccc3nccn32)CC1 ZINC000257320726 209074520 /nfs/dbraw/zinc/07/45/20/209074520.db2.gz VYHARPPLVLQAGF-UHFFFAOYSA-N 0 0 396.494 4.340 40 0 GIABRN CC1(c2cc[nH]n2)CC[NH+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)CC1 ZINC000257332540 209075945 /nfs/dbraw/zinc/07/59/45/209075945.db2.gz XXTUBSNMOITPRK-UHFFFAOYSA-N 0 0 375.472 4.329 40 0 GIABRN Cn1ccnc1CC1CC[NH+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)CC1 ZINC000257325666 209075748 /nfs/dbraw/zinc/07/57/48/209075748.db2.gz WTWZRGNULGDPCA-UHFFFAOYSA-N 0 0 389.499 4.240 40 0 GIABRN Cc1noc(C)c1-c1cc(C2CCN(C(=O)c3ccc(F)cc3)CC2)nc(C)n1 ZINC000257329097 209076924 /nfs/dbraw/zinc/07/69/24/209076924.db2.gz XIKFORAIVWWPKT-UHFFFAOYSA-N 0 0 394.450 4.216 40 0 GIABRN CC(C)(C)CNc1cc(-c2c[nH]nc2[C@@H]2CCN(C(=O)C3CCC3)C2)ccn1 ZINC000257342401 209078205 /nfs/dbraw/zinc/07/82/05/209078205.db2.gz ZOJZSWQVNSXKEM-QGZVFWFLSA-N 0 0 381.524 4.046 40 0 GIABRN Cc1cncnc1[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257342451 209078063 /nfs/dbraw/zinc/07/80/63/209078063.db2.gz ZORBHYQVLSBCNH-INIZCTEOSA-N 0 0 377.444 4.123 40 0 GIABRN COc1ccc2[nH]c3c(c2c1)CCN(C[C@@H]1CCC=CO1)[C@H]3c1cccnc1 ZINC000072341982 222231918 /nfs/dbraw/zinc/23/19/18/222231918.db2.gz IQNCEWVYHGYEEK-MBSDFSHPSA-N 0 0 375.472 4.212 40 0 GIABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000072345915 222232614 /nfs/dbraw/zinc/23/26/14/222232614.db2.gz GVOXJLFBBYVHIM-QGZVFWFLSA-N 0 0 392.890 4.399 40 0 GIABRN CCCC(=O)N1CCC(Cc2ccccc2-c2cccs2)(C(=O)NC)CC1 ZINC000072345049 222233022 /nfs/dbraw/zinc/23/30/22/222233022.db2.gz SUCBDPGTRWTPRK-UHFFFAOYSA-N 0 0 384.545 4.113 40 0 GIABRN CCCC(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)(C(=O)NC)CC1 ZINC000072345184 222233652 /nfs/dbraw/zinc/23/36/52/222233652.db2.gz UCDKHTRNIWMERD-UHFFFAOYSA-N 0 0 378.516 4.051 40 0 GIABRN O=C(CN1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1)Nc1nccs1 ZINC000072348884 222235088 /nfs/dbraw/zinc/23/50/88/222235088.db2.gz ICUWFWLBVYXULY-INIZCTEOSA-N 0 0 396.491 4.162 40 0 GIABRN O=C(Cc1ccncc1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072349444 222236285 /nfs/dbraw/zinc/23/62/85/222236285.db2.gz YXMGUOZXOQBWDQ-FQEVSTJZSA-N 0 0 389.474 4.155 40 0 GIABRN CC(C)(O)C(=O)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072350132 222236719 /nfs/dbraw/zinc/23/67/19/222236719.db2.gz SDLBLTUZBWLCSU-OAHLLOKOSA-N 0 0 392.421 4.244 40 0 GIABRN Cn1ccnc1C(=O)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072350234 222236801 /nfs/dbraw/zinc/23/68/01/222236801.db2.gz KJNMSDLPSQPTQU-INIZCTEOSA-N 0 0 380.879 4.155 40 0 GIABRN CCC(=O)N1CCC[C@@](Cc2cccc(-c3ccccc3)c2)(C(=O)N(C)C)C1 ZINC000072391267 222248963 /nfs/dbraw/zinc/24/89/63/222248963.db2.gz UKMQOJSZAPCNSV-DEOSSOPVSA-N 0 0 378.516 4.003 40 0 GIABRN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccccc2)o1 ZINC000059200424 534149347 /nfs/dbraw/zinc/14/93/47/534149347.db2.gz PTRYGMUKJYAZOM-UHFFFAOYSA-N 0 0 389.864 4.341 40 0 GIABRN Cc1ccc(-c2nnc(CN(C)C(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)o2)cc1 ZINC000408714348 534222171 /nfs/dbraw/zinc/22/21/71/534222171.db2.gz OWAZFISYIPBHQL-HNNXBMFYSA-N 0 0 399.878 4.433 40 0 GIABRN Cc1ccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)c1 ZINC000409108524 534239507 /nfs/dbraw/zinc/23/95/07/534239507.db2.gz WMBBCBJYYUKBGP-WOJGMQOQSA-N 0 0 398.484 4.082 40 0 GIABRN Cn1nnnc1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000022112030 534375614 /nfs/dbraw/zinc/37/56/14/534375614.db2.gz OXFKKLPMXAAXDI-UHFFFAOYSA-N 0 0 379.851 4.208 40 0 GIABRN Cc1ccsc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O ZINC000409177535 534456169 /nfs/dbraw/zinc/45/61/69/534456169.db2.gz BSAJDRGSZPXRSY-CXUHLZMHSA-N 0 0 386.498 4.348 40 0 GIABRN O=C(CN1CCCCCC1)Nc1cc(Br)ccc1Br ZINC000408581133 534527011 /nfs/dbraw/zinc/52/70/11/534527011.db2.gz GLFVAZSBXRUNRR-UHFFFAOYSA-N 0 0 390.119 4.026 40 0 GIABRN O=C(Oc1ccc(Br)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000408659271 534566617 /nfs/dbraw/zinc/56/66/17/534566617.db2.gz KLFMIIMHEHKULK-NSHDSACASA-N 0 0 394.652 4.061 40 0 GIABRN O=C(Oc1ccc(Cc2ccccc2)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000408659235 534567689 /nfs/dbraw/zinc/56/76/89/534567689.db2.gz KGGQVZRLILUDAB-QFIPXVFZSA-N 0 0 385.463 4.232 40 0 GIABRN O=C(COC(=O)CCC(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000007396144 534603842 /nfs/dbraw/zinc/60/38/42/534603842.db2.gz OWHCDICHMJSJFA-UHFFFAOYSA-N 0 0 380.227 4.138 40 0 GIABRN O=C(CSc1nc(=O)c2ccsc2[nH]1)c1ccc(Br)cc1 ZINC000408596997 534675182 /nfs/dbraw/zinc/67/51/82/534675182.db2.gz XRXDEJVMGCIKSC-UHFFFAOYSA-N 0 0 381.276 4.134 40 0 GIABRN COc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1OC ZINC000020143236 523747760 /nfs/dbraw/zinc/74/77/60/523747760.db2.gz WQONGTBGQLOAIW-UHFFFAOYSA-N 0 0 387.819 4.362 40 0 GIABRN O=C(C(=O)N1CCCCC1)c1cn(CCOc2ccc(F)cc2)c2ccccc12 ZINC000408564766 534805910 /nfs/dbraw/zinc/80/59/10/534805910.db2.gz ABAZJFHAZJQZOT-UHFFFAOYSA-N 0 0 394.446 4.055 40 0 GIABRN C[C@H](OC(=O)/C=C/c1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000245228370 525877745 /nfs/dbraw/zinc/87/77/45/525877745.db2.gz SWPXVCDCIBEVTP-UCIFNYQRSA-N 0 0 383.410 4.345 40 0 GIABRN CC(C)(C)C(=O)NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000408624848 527580332 /nfs/dbraw/zinc/58/03/32/527580332.db2.gz COJJVVBZVFDTEL-UHFFFAOYSA-N 0 0 380.469 4.319 40 0 GIABRN CCN(CC)C(=O)C(=O)c1cn(CCOc2ccc(C)cc2)c2ccccc12 ZINC000014136052 527983297 /nfs/dbraw/zinc/98/32/97/527983297.db2.gz DMSYBJUKLXNPTC-UHFFFAOYSA-N 0 0 378.472 4.080 40 0 GIABRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc3oc(=O)ccc3c2)cc1 ZINC000408628365 528055007 /nfs/dbraw/zinc/05/50/07/528055007.db2.gz RVDUKFMHBCGJBA-VZUCSPMQSA-N 0 0 392.480 4.443 40 0 GIABRN CCC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000008810295 528066993 /nfs/dbraw/zinc/06/69/93/528066993.db2.gz GLCGLKZMHZXHTP-LBPRGKRZSA-N 0 0 398.887 4.198 40 0 GIABRN CCCCC(=O)Nc1ccc(NC(=O)COc2cccc(C)c2C)cc1OC ZINC000408620550 528091985 /nfs/dbraw/zinc/09/19/85/528091985.db2.gz HGZVCSPWZRTKHV-UHFFFAOYSA-N 0 0 384.476 4.458 40 0 GIABRN CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(Cl)c4)c3)C(=O)[C@@H]2C1 ZINC000408681413 528123553 /nfs/dbraw/zinc/12/35/53/528123553.db2.gz JHEPQGUJVHIYEF-RBUKOAKNSA-N 0 0 394.858 4.438 40 0 GIABRN CC1=NN(C(=O)COc2ccc(Cl)c(C)c2)[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000409342842 528145474 /nfs/dbraw/zinc/14/54/74/528145474.db2.gz CGNKYRAWRQYRSE-IBGZPJMESA-N 0 0 393.270 4.134 40 0 GIABRN CCCN1C(=O)N/C(=C/c2cc(Cl)c(O[C@H](C)CC)c(OCC)c2)C1=O ZINC000409243427 528174923 /nfs/dbraw/zinc/17/49/23/528174923.db2.gz WIUFBKDHSGQLGB-JXCQQFQQSA-N 0 0 380.872 4.219 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000010443952 528207715 /nfs/dbraw/zinc/20/77/15/528207715.db2.gz PCNKSTCRKZAETR-UHFFFAOYSA-N 0 0 382.243 4.496 40 0 GIABRN CCCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 ZINC000008810133 528215742 /nfs/dbraw/zinc/21/57/42/528215742.db2.gz HGWNETVWCKXFAY-UHFFFAOYSA-N 0 0 398.887 4.200 40 0 GIABRN CCOc1cc(C(=S)NCCOC)ccc1OCc1ccc(Cl)cc1 ZINC000408572214 528239379 /nfs/dbraw/zinc/23/93/79/528239379.db2.gz FRDMJWDAPCOSIX-UHFFFAOYSA-N 0 0 379.909 4.229 40 0 GIABRN CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1OCc1ccccc1 ZINC000408575255 528239576 /nfs/dbraw/zinc/23/95/76/528239576.db2.gz NLJBFELGNDXUTH-UHFFFAOYSA-N 0 0 391.920 4.325 40 0 GIABRN CCOc1cc(C(=S)NC[C@H]2CCCO2)ccc1OCc1ccc(F)cc1 ZINC000408578842 528239995 /nfs/dbraw/zinc/23/99/95/528239995.db2.gz ZQHQAMMWDHNLFT-GOSISDBHSA-N 0 0 389.492 4.248 40 0 GIABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCC(C)CC2)cc1 ZINC000408678744 528351295 /nfs/dbraw/zinc/35/12/95/528351295.db2.gz UYQJNLIBJYQIIK-UHFFFAOYSA-N 0 0 390.483 4.446 40 0 GIABRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccccc2Cl)c1 ZINC000408627996 528430553 /nfs/dbraw/zinc/43/05/53/528430553.db2.gz PFBYYOSMVXBOGE-UHFFFAOYSA-N 0 0 396.299 4.469 40 0 GIABRN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 ZINC000006649532 528483571 /nfs/dbraw/zinc/48/35/71/528483571.db2.gz LJKQKERCVDYWGG-LBPRGKRZSA-N 0 0 393.270 4.384 40 0 GIABRN CCCOC(=O)c1ccc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1 ZINC000408619397 528581248 /nfs/dbraw/zinc/58/12/48/528581248.db2.gz BSDGHVLXBTYSPP-UHFFFAOYSA-N 0 0 385.313 4.071 40 0 GIABRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1ccc(O)cc1)N2 ZINC000409350218 528595357 /nfs/dbraw/zinc/59/53/57/528595357.db2.gz RHJVAHTXHJXJQI-WTANOLMUSA-N 0 0 398.425 4.307 40 0 GIABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C)ccc1OC ZINC000408587269 529107239 /nfs/dbraw/zinc/10/72/39/529107239.db2.gz SSFSWKVUHHPBQN-UHFFFAOYSA-N 0 0 398.868 4.026 40 0 GIABRN CCc1cccc(C)c1NC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000408554498 529160159 /nfs/dbraw/zinc/16/01/59/529160159.db2.gz SLMSQJCMHMWVDI-INIZCTEOSA-N 0 0 396.512 4.016 40 0 GIABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000223013130 536045399 /nfs/dbraw/zinc/04/53/99/536045399.db2.gz VHPKWROUAGXZEY-FQEVSTJZSA-N 0 0 390.886 4.294 40 0 GIABRN CCc1ccc(NC(=O)c2nc3c(s2)CCCN3c2ccc(C)nn2)cc1 ZINC000096062698 536189782 /nfs/dbraw/zinc/18/97/82/536189782.db2.gz FTLKEWQADWQMBH-UHFFFAOYSA-N 0 0 379.489 4.141 40 0 GIABRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(N3CCOCC3)cc2)cc1C(C)C ZINC000223317804 536623052 /nfs/dbraw/zinc/62/30/52/536623052.db2.gz LJZHNMCRQJAVJJ-SFHVURJKSA-N 0 0 396.531 4.455 40 0 GIABRN COc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c4ccccc34)n2)c1 ZINC000072322109 560076283 /nfs/dbraw/zinc/07/62/83/560076283.db2.gz JCCMFKNZVYHXCC-QFIPXVFZSA-N 0 0 388.471 4.140 40 0 biogenic,in-vitro GIABRN COc1ccc(-c2cc(CC3(NCc4ccccc4Cl)COC3)no2)cc1 ZINC000072321949 560076465 /nfs/dbraw/zinc/07/64/65/560076465.db2.gz ISALXQSRPUIZGG-UHFFFAOYSA-N 0 0 384.863 4.105 40 0 biogenic,in-vitro GIABRN O=C(C1CCCCC1)N1CC2CC(C1)c1c(-c3ccccc3)ccc(=O)n1C2 ZINC000008295032 560208084 /nfs/dbraw/zinc/20/80/84/560208084.db2.gz ADTANUWZRACORU-FXAWDEMLSA-N 0 0 376.500 4.041 40 0 biogenic,in-vitro GIABRN CC[C@@H](C)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(C(F)(F)F)n1 ZINC000329022581 570213445 /nfs/dbraw/zinc/21/34/45/570213445.db2.gz ONHJWRMZAWDTIG-SECBINFHSA-N 0 0 394.319 4.192 40 0 GIABRN CCOc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)cc1 ZINC000205617722 570226180 /nfs/dbraw/zinc/22/61/80/570226180.db2.gz ORUKYWRJHQZUQB-QNGOZBTKSA-N 0 0 390.439 4.396 40 0 GIABRN CC[C@](Br)([C@H](O)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC ZINC000096521623 570233630 /nfs/dbraw/zinc/23/36/30/570233630.db2.gz HDRXAEGQRPGRFR-QZTJIDSGSA-N 0 0 397.334 4.323 40 0 GIABRN Cc1nc(Nc2nccs2)cc([C@@H]2CCN(C(=O)/C=C/c3ccccc3)C2)n1 ZINC000585291660 570260294 /nfs/dbraw/zinc/26/02/94/570260294.db2.gz DWVJDXQMZXFUAS-IWAYRVGRSA-N 0 0 391.500 4.014 40 0 GIABRN CCOc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2)ccc1O ZINC000006553754 570277128 /nfs/dbraw/zinc/27/71/28/570277128.db2.gz OBZFUZZSKOCONQ-APTRMMRNSA-N 0 0 395.499 4.299 40 0 GIABRN COc1ccc(NC(=O)CSc2nnc(COc3ccc(C)c(C)c3)o2)cc1 ZINC000216030177 570294961 /nfs/dbraw/zinc/29/49/61/570294961.db2.gz QQGGDAQVZQNJNT-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000216260029 570298029 /nfs/dbraw/zinc/29/80/29/570298029.db2.gz NRKFIXAXYDIXDG-HXUWFJFHSA-N 0 0 396.418 4.145 40 0 GIABRN COc1ccc([C@H](C)NC(=O)COc2cc(C)c(Br)c(C)c2)cc1 ZINC000216281429 570298296 /nfs/dbraw/zinc/29/82/96/570298296.db2.gz VOTAJCGVLCSPAA-AWEZNQCLSA-N 0 0 392.293 4.331 40 0 GIABRN CC(C)c1ccccc1O[C@@H](C)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000216356871 570299693 /nfs/dbraw/zinc/29/96/93/570299693.db2.gz BGSRTLRXOPXVEK-ZRFOIIEFSA-N 0 0 392.543 4.435 40 0 GIABRN CCCCCNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000216369114 570300199 /nfs/dbraw/zinc/30/01/99/570300199.db2.gz ILKIAAFFCUTSLH-UHFFFAOYSA-N 0 0 394.924 4.369 40 0 GIABRN COc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000003474145 570300734 /nfs/dbraw/zinc/30/07/34/570300734.db2.gz LYCUFYMUCCBZSR-UHFFFAOYSA-N 0 0 376.408 4.411 40 0 GIABRN Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 ZINC000216444985 570302041 /nfs/dbraw/zinc/30/20/41/570302041.db2.gz FISVQQHKUSJTLS-UHFFFAOYSA-N 0 0 394.496 4.285 40 0 GIABRN Cc1c(C)c(-n2nc3cc(N)c(Br)cc3n2)ccc1Br ZINC000575415200 570306242 /nfs/dbraw/zinc/30/62/42/570306242.db2.gz YTATVCKTTJGHLN-UHFFFAOYSA-N 0 0 396.086 4.145 40 0 GIABRN COC(=O)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000021595859 570307312 /nfs/dbraw/zinc/30/73/12/570307312.db2.gz DOLCBTUPCLBPBK-UHFFFAOYSA-N 0 0 392.249 4.032 40 0 GIABRN CN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072214505 570314408 /nfs/dbraw/zinc/31/44/08/570314408.db2.gz RNIBKYMUBMHISJ-SFHVURJKSA-N 0 0 381.476 4.430 40 0 GIABRN Cc1ccc(NC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 ZINC000113966045 570337351 /nfs/dbraw/zinc/33/73/51/570337351.db2.gz QUWGUIXGALSOEE-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN COc1cc(C(=S)NC[C@@H]2CCCO2)ccc1OCc1ccccc1Cl ZINC000408573830 570341440 /nfs/dbraw/zinc/34/14/40/570341440.db2.gz KVYMQLVGKKRRGK-INIZCTEOSA-N 0 0 391.920 4.372 40 0 GIABRN COc1cc(OC)cc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000218886411 570342693 /nfs/dbraw/zinc/34/26/93/570342693.db2.gz YBUYBLAFBGNFMY-UHFFFAOYSA-N 0 0 391.467 4.312 40 0 GIABRN CC(C)(C)SCCNC(=O)COc1ccc(Br)cc1Cl ZINC000218943530 570344195 /nfs/dbraw/zinc/34/41/95/570344195.db2.gz PEJNMWDTMLQQHR-UHFFFAOYSA-N 0 0 380.735 4.129 40 0 GIABRN Cc1ccc(C)c(OCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1 ZINC000218953084 570344201 /nfs/dbraw/zinc/34/42/01/570344201.db2.gz GJAVURCRLFAKOQ-UHFFFAOYSA-N 0 0 385.851 4.044 40 0 GIABRN Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 ZINC000218966657 570344575 /nfs/dbraw/zinc/34/45/75/570344575.db2.gz XSCOBCSKRXUTNG-UHFFFAOYSA-N 0 0 380.488 4.255 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc(C(C)C)cc1 ZINC000218963921 570344606 /nfs/dbraw/zinc/34/46/06/570344606.db2.gz PDKXVSAPMZBWEE-UHFFFAOYSA-N 0 0 385.489 4.349 40 0 GIABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1ccc(F)cc1 ZINC000006056850 570346108 /nfs/dbraw/zinc/34/61/08/570346108.db2.gz YZNMFFRCLWZIKR-JTQLQIEISA-N 0 0 386.206 4.082 40 0 GIABRN O=C(Nc1ccccc1Cl)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000003483331 570347437 /nfs/dbraw/zinc/34/74/37/570347437.db2.gz GUJQGBJHFFTDCI-UHFFFAOYSA-N 0 0 392.908 4.157 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)CSCc3ccc(F)cc3)n2)c1 ZINC000219264013 570350734 /nfs/dbraw/zinc/35/07/34/570350734.db2.gz KOAQUDDJQLPBHP-UHFFFAOYSA-N 0 0 385.464 4.076 40 0 GIABRN COc1ccc(CCC(=O)NCCCc2cccc(OC(C)C)c2)cc1OC ZINC000219281460 570350863 /nfs/dbraw/zinc/35/08/63/570350863.db2.gz PBEURWFTEQPHEB-UHFFFAOYSA-N 0 0 385.504 4.173 40 0 GIABRN CC[C@@H](Oc1ccccc1C)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000219315900 570354433 /nfs/dbraw/zinc/35/44/33/570354433.db2.gz GYEDFPKRHMEHEX-GOSISDBHSA-N 0 0 379.460 4.169 40 0 GIABRN CC(C)/N=C1\S/C(=C/c2cc(Br)ccc2O)C(=O)N1C(C)C ZINC000006324844 570355175 /nfs/dbraw/zinc/35/51/75/570355175.db2.gz OCXVASNYKUQDMU-QWTILCQQSA-N 0 0 383.311 4.244 40 0 GIABRN CC(=O)Nc1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1 ZINC000057312833 570356271 /nfs/dbraw/zinc/35/62/71/570356271.db2.gz ZDUBHIPFQYVEEU-UHFFFAOYSA-N 0 0 391.265 4.204 40 0 GIABRN COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1)CC(C)(C)O2 ZINC000219518846 570365309 /nfs/dbraw/zinc/36/53/09/570365309.db2.gz CCXDGKIEWWLQGF-UZLBHIALSA-N 0 0 383.488 4.498 40 0 GIABRN C[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccccc1)Cc1cccnc1 ZINC000057614079 570365862 /nfs/dbraw/zinc/36/58/62/570365862.db2.gz JWONNKIJANQQNA-SFHVURJKSA-N 0 0 376.508 4.337 40 0 GIABRN CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccccc1OC ZINC000219563783 570368684 /nfs/dbraw/zinc/36/86/84/570368684.db2.gz AYVBVIOKRXQMLB-LJQANCHMSA-N 0 0 385.504 4.390 40 0 GIABRN CC(=O)Nc1cccc(NC(=O)CSCc2ccccc2Br)c1 ZINC000022668724 570372186 /nfs/dbraw/zinc/37/21/86/570372186.db2.gz IDQMNYZNYLSOIR-UHFFFAOYSA-N 0 0 393.306 4.279 40 0 GIABRN O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1cccc2c(Cl)cccc12 ZINC000408626491 570378680 /nfs/dbraw/zinc/37/86/80/570378680.db2.gz HOSXQTDXWJCFRS-UHFFFAOYSA-N 0 0 398.871 4.391 40 0 GIABRN CCCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC(C)C ZINC000006648534 570378807 /nfs/dbraw/zinc/37/88/07/570378807.db2.gz UEMSVPKENMLXNJ-UHFFFAOYSA-N 0 0 380.945 4.263 40 0 GIABRN CC(C)C(=O)NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 ZINC000408626919 570378985 /nfs/dbraw/zinc/37/89/85/570378985.db2.gz JLDRXRPXVAZNCO-UHFFFAOYSA-N 0 0 389.864 4.323 40 0 GIABRN O=C(Cn1c2ccccc2c(=O)n(-c2ccccc2)c1=S)c1cccs1 ZINC000008436420 570380291 /nfs/dbraw/zinc/38/02/91/570380291.db2.gz MKAJSBKHKNZCGE-UHFFFAOYSA-N 0 0 378.478 4.466 40 0 GIABRN CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc3ccccc3c2)CC1 ZINC000408629232 570382099 /nfs/dbraw/zinc/38/20/99/570382099.db2.gz QXWFWIVLZOXYRK-UHFFFAOYSA-N 0 0 387.483 4.151 40 0 GIABRN CCc1ccc(NC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000220356162 570385506 /nfs/dbraw/zinc/38/55/06/570385506.db2.gz BIVOUSIKJJIJBQ-AWEZNQCLSA-N 0 0 394.924 4.004 40 0 GIABRN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O ZINC000220476833 570387000 /nfs/dbraw/zinc/38/70/00/570387000.db2.gz VIGYPIPBMMJCNL-OAHLLOKOSA-N 0 0 392.496 4.051 40 0 GIABRN CC[C@H](C(=O)Nc1c(C)cccc1C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220529434 570387833 /nfs/dbraw/zinc/38/78/33/570387833.db2.gz YWMYIXKFCDFJSQ-GOSISDBHSA-N 0 0 388.533 4.104 40 0 GIABRN Cc1cc(C)c(C)c(S(=O)(=O)Nc2nc3ccccc3nc2Cl)c1C ZINC000016756998 570403572 /nfs/dbraw/zinc/40/35/72/570403572.db2.gz BRUQGLUADIYAJK-UHFFFAOYSA-N 0 0 375.881 4.318 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1 ZINC000222409025 570409910 /nfs/dbraw/zinc/40/99/10/570409910.db2.gz QXVVXZYFCFSQMX-QFIPXVFZSA-N 0 0 396.531 4.014 40 0 GIABRN C[C@H](NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1)c1ccccc1 ZINC000004839367 570410462 /nfs/dbraw/zinc/41/04/62/570410462.db2.gz RLAWECAZPMPNFS-WLVMFVESSA-N 0 0 376.481 4.396 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000222443842 570410828 /nfs/dbraw/zinc/41/08/28/570410828.db2.gz DSMRVMDWGJPSDB-HSZRJFAPSA-N 0 0 394.559 4.486 40 0 GIABRN COc1ccc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)c(OC)c1OC ZINC000121588775 570411223 /nfs/dbraw/zinc/41/12/23/570411223.db2.gz ITWBXVXZTJUNLW-UHFFFAOYSA-N 0 0 391.467 4.238 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C ZINC000222457870 570411347 /nfs/dbraw/zinc/41/13/47/570411347.db2.gz AMRVYMRIOLCUAN-NRFANRHFSA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000222505444 570412986 /nfs/dbraw/zinc/41/29/86/570412986.db2.gz OYCJZEPTFYUCFT-HSZRJFAPSA-N 0 0 394.559 4.486 40 0 GIABRN CC(C)c1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 ZINC000222508022 570413055 /nfs/dbraw/zinc/41/30/55/570413055.db2.gz VJHFKWOODKLGJQ-UHFFFAOYSA-N 0 0 380.897 4.112 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 ZINC000222505278 570413075 /nfs/dbraw/zinc/41/30/75/570413075.db2.gz KGVWGJVNPJEPCA-JOCHJYFZSA-N 0 0 380.532 4.178 40 0 GIABRN Cc1ccc2c(c1)cc(CN(C(=O)c1ccco1)C1CCCCC1)c1nnnn12 ZINC000004878542 570414866 /nfs/dbraw/zinc/41/48/66/570414866.db2.gz XAHVAFQRZGSKSL-UHFFFAOYSA-N 0 0 389.459 4.154 40 0 GIABRN COc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1O ZINC000222573035 570415130 /nfs/dbraw/zinc/41/51/30/570415130.db2.gz HVFUZUNPSXRJAS-HNHYXYPQSA-N 0 0 375.881 4.039 40 0 GIABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCCN1c2ccccc2C[C@@H]1C ZINC000222580617 570415362 /nfs/dbraw/zinc/41/53/62/570415362.db2.gz FUNOFHVAQFHLII-OALUTQOASA-N 0 0 392.543 4.290 40 0 GIABRN CCc1ccc(N(CCCC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000222638891 570418282 /nfs/dbraw/zinc/41/82/82/570418282.db2.gz AYIOGTGWJJYJFH-UHFFFAOYSA-N 0 0 394.924 4.087 40 0 GIABRN CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)ccc1OC ZINC000222660679 570419343 /nfs/dbraw/zinc/41/93/43/570419343.db2.gz MLWLBRJNQJIOPL-CDHQVMDDSA-N 0 0 383.517 4.468 40 0 GIABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl ZINC000222673698 570419877 /nfs/dbraw/zinc/41/98/77/570419877.db2.gz SXUNZVPPFJBXBL-INIZCTEOSA-N 0 0 386.923 4.215 40 0 GIABRN C[C@@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@@H]3[C@@H]1CC(=O)[C@@H]2O ZINC000004962068 570420154 /nfs/dbraw/zinc/42/01/54/570420154.db2.gz PGGRKBVFTNNQNV-GLXLXVTFSA-N 0 0 390.479 4.302 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3Cc3ccncc3)N21 ZINC000222685928 570420683 /nfs/dbraw/zinc/42/06/83/570420683.db2.gz UIXMXUABUPZMET-JRGCBEDISA-N 0 0 389.528 4.306 40 0 GIABRN C[C@H](Oc1cccc2ccccc21)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000222701121 570421355 /nfs/dbraw/zinc/42/13/55/570421355.db2.gz ALZWFWWFZLKUQQ-HOTGVXAUSA-N 0 0 377.440 4.256 40 0 GIABRN CCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000222748710 570423907 /nfs/dbraw/zinc/42/39/07/570423907.db2.gz RQRYRHMLHICNQS-AWEZNQCLSA-N 0 0 393.314 4.437 40 0 GIABRN Cc1ccc(CN(C(=O)COc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222748363 570423911 /nfs/dbraw/zinc/42/39/11/570423911.db2.gz SFUGINQYQSLZPA-IBGZPJMESA-N 0 0 396.531 4.014 40 0 GIABRN COc1cc(C)c(S(=O)(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1C ZINC000222764510 570424723 /nfs/dbraw/zinc/42/47/23/570424723.db2.gz GDTMGZXQWOVANP-KRWDZBQOSA-N 0 0 389.517 4.201 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222784106 570425897 /nfs/dbraw/zinc/42/58/97/570425897.db2.gz VIDTZKATKXVFPA-QGZVFWFLSA-N 0 0 384.495 4.009 40 0 GIABRN CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC)cc1 ZINC000222798317 570426549 /nfs/dbraw/zinc/42/65/49/570426549.db2.gz WZPLLBSSORUPQZ-LEWJYISDSA-N 0 0 392.528 4.263 40 0 GIABRN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000025542272 570429354 /nfs/dbraw/zinc/42/93/54/570429354.db2.gz HEWMFRQFEUGQOK-BLBAEXIBSA-N 0 0 390.520 4.072 40 0 GIABRN Cc1ccccc1N1C(=O)S[C@@H](Nc2ccc(Br)cc2)C1=O ZINC000005234221 570431966 /nfs/dbraw/zinc/43/19/66/570431966.db2.gz ACGGHWGTVJPPRV-CQSZACIVSA-N 0 0 377.263 4.396 40 0 GIABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000222969611 570434026 /nfs/dbraw/zinc/43/40/26/570434026.db2.gz BBLHOWMMOGTIDO-LJQANCHMSA-N 0 0 385.504 4.227 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 ZINC000222969083 570434054 /nfs/dbraw/zinc/43/40/54/570434054.db2.gz CUMVMGHWDSESLK-NRFANRHFSA-N 0 0 398.572 4.339 40 0 GIABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000222975092 570434360 /nfs/dbraw/zinc/43/43/60/570434360.db2.gz FCRIWEYIFKENFN-HNNXBMFYSA-N 0 0 385.489 4.231 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 ZINC000223042767 570439527 /nfs/dbraw/zinc/43/95/27/570439527.db2.gz YRIMEVUYYCPOTL-SFHVURJKSA-N 0 0 384.495 4.010 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F ZINC000223093176 570442819 /nfs/dbraw/zinc/44/28/19/570442819.db2.gz KCUCQKGEVDHTCR-SFHVURJKSA-N 0 0 384.495 4.010 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223093049 570442822 /nfs/dbraw/zinc/44/28/22/570442822.db2.gz VOBLDOMFPGFSOH-NRFANRHFSA-N 0 0 394.559 4.488 40 0 GIABRN O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000005515898 570443972 /nfs/dbraw/zinc/44/39/72/570443972.db2.gz YAGBCUUQPLELOC-QFIPXVFZSA-N 0 0 376.843 4.436 40 0 GIABRN COc1ccccc1O[C@@H](C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000223109394 570444188 /nfs/dbraw/zinc/44/41/88/570444188.db2.gz APKDQZXJSWTVBY-NSHDSACASA-N 0 0 389.864 4.273 40 0 GIABRN CCOc1ccc(CNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1OCC ZINC000223140373 570446289 /nfs/dbraw/zinc/44/62/89/570446289.db2.gz BAJZFKNXDYVAES-QGZVFWFLSA-N 0 0 397.515 4.447 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223195278 570448881 /nfs/dbraw/zinc/44/88/81/570448881.db2.gz DYPIGHJOBSSKGZ-HXUWFJFHSA-N 0 0 386.923 4.053 40 0 GIABRN C[C@@H](NC(=O)c1ccccc1NC(=O)Cc1ccccc1F)c1ccccc1 ZINC000005632569 570449559 /nfs/dbraw/zinc/44/95/59/570449559.db2.gz JSAZGMNMVMJCGS-MRXNPFEDSA-N 0 0 376.431 4.498 40 0 GIABRN COc1cc(C)c(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1C ZINC000223212871 570450291 /nfs/dbraw/zinc/45/02/91/570450291.db2.gz JJXRBDVQWDSJTK-QGZVFWFLSA-N 0 0 389.517 4.201 40 0 GIABRN Cc1ccc(OCC(=O)NC(=S)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000005683369 570451336 /nfs/dbraw/zinc/45/13/36/570451336.db2.gz HERMXEBOMKHBEB-UHFFFAOYSA-N 0 0 383.498 4.011 40 0 GIABRN CCc1ccc(CC(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 ZINC000223230234 570451411 /nfs/dbraw/zinc/45/14/11/570451411.db2.gz FROATEFAOXMELH-UHFFFAOYSA-N 0 0 377.488 4.455 40 0 GIABRN O=S(=O)(c1ccc(O)cc1)c1ccc(O)c(C2C3CC4CC(C3)CC2C4)c1 ZINC000005769832 570455885 /nfs/dbraw/zinc/45/58/85/570455885.db2.gz UNVSYWKCGNLPPV-UHFFFAOYSA-N 0 0 384.497 4.470 40 0 GIABRN O=C(NC1C2CC3CC(C2)CC1C3)c1cc(C=Cc2ccccc2)[nH]c(=S)n1 ZINC000005812786 570457963 /nfs/dbraw/zinc/45/79/63/570457963.db2.gz NMSGLEGFZYMZBB-VOTSOKGWSA-N 0 0 391.540 4.490 40 0 GIABRN COc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2ccc(F)cc2)cc1C(C)C ZINC000223323651 570458610 /nfs/dbraw/zinc/45/86/10/570458610.db2.gz GTPKGBZDFBFTNM-OAHLLOKOSA-N 0 0 379.497 4.447 40 0 GIABRN NC(=O)c1cc2nc(-c3ccc(Cl)cc3Cl)[nH]c2c(Br)c1 ZINC000226344743 570460444 /nfs/dbraw/zinc/46/04/44/570460444.db2.gz FTPMZEKFBOSSQN-UHFFFAOYSA-N 0 0 385.048 4.398 40 0 GIABRN CCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000223350830 570460888 /nfs/dbraw/zinc/46/08/88/570460888.db2.gz KUSRFWFUMUWZBV-DEOSSOPVSA-N 0 0 386.495 4.135 40 0 GIABRN Cc1cccc(OCCNC(=O)CSCc2ccc(Br)cc2)c1 ZINC000223453719 570466935 /nfs/dbraw/zinc/46/69/35/570466935.db2.gz VVTNWQDIZWFFQB-UHFFFAOYSA-N 0 0 394.334 4.186 40 0 GIABRN CCC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223480971 570467972 /nfs/dbraw/zinc/46/79/72/570467972.db2.gz QQXVXEBLKQTDNU-KNQAVFIVSA-N 0 0 380.532 4.260 40 0 GIABRN CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000223477535 570467998 /nfs/dbraw/zinc/46/79/98/570467998.db2.gz HXHXIHXKHXTPAF-JOCHJYFZSA-N 0 0 394.446 4.215 40 0 GIABRN O=C(Nc1cccc2ccccc21)[C@@H]1CCCN(C(=O)NCc2ccccc2)C1 ZINC000035313614 570468193 /nfs/dbraw/zinc/46/81/93/570468193.db2.gz CGJYYESRVIPOPL-HXUWFJFHSA-N 0 0 387.483 4.400 40 0 GIABRN CC(=O)N1CCc2cc(-c3nc(NC(=O)c4ccccc4F)sc3C)ccc21 ZINC000035313286 570468293 /nfs/dbraw/zinc/46/82/93/570468293.db2.gz PFBOCPFANXLTQX-UHFFFAOYSA-N 0 0 395.459 4.419 40 0 GIABRN CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1 ZINC000223530899 570469505 /nfs/dbraw/zinc/46/95/05/570469505.db2.gz ORJKKMVFMLMTJC-WOJBJXKFSA-N 0 0 391.544 4.206 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223540142 570470056 /nfs/dbraw/zinc/47/00/56/570470056.db2.gz HQFZSIGUJJWWNW-LJQANCHMSA-N 0 0 380.532 4.296 40 0 GIABRN CC(C)c1ccc(CCNC(=O)c2cccc(I)c2)cc1 ZINC000006218687 570472315 /nfs/dbraw/zinc/47/23/15/570472315.db2.gz VTNHRXNONNTBKA-UHFFFAOYSA-N 0 0 393.268 4.387 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 ZINC000223579040 570472413 /nfs/dbraw/zinc/47/24/13/570472413.db2.gz XQILWWHENWIPRI-FQEVSTJZSA-N 0 0 396.531 4.016 40 0 GIABRN CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)cc1 ZINC000006225198 570472578 /nfs/dbraw/zinc/47/25/78/570472578.db2.gz QMFDKVMFPCWADF-UHFFFAOYSA-N 0 0 380.469 4.128 40 0 GIABRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1Cl ZINC000223660903 570477519 /nfs/dbraw/zinc/47/75/19/570477519.db2.gz NVVQWOTXLHEQJF-UHFFFAOYSA-N 0 0 381.881 4.253 40 0 GIABRN COc1cc(NC(=O)COc2ccc3c(c2)CCCC3)c(OC)cc1Cl ZINC000223688149 570478822 /nfs/dbraw/zinc/47/88/22/570478822.db2.gz HFIOUQNGANHFKQ-UHFFFAOYSA-N 0 0 375.852 4.254 40 0 GIABRN CCC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223706593 570480087 /nfs/dbraw/zinc/48/00/87/570480087.db2.gz UOWWSPJCGGXUEC-DYESRHJHSA-N 0 0 384.495 4.090 40 0 GIABRN COc1ccc2cc(S(=O)(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)ccc2c1 ZINC000223703819 570480110 /nfs/dbraw/zinc/48/01/10/570480110.db2.gz DBRNYOJYQDCYAR-HXUWFJFHSA-N 0 0 397.496 4.429 40 0 GIABRN COc1ccc(S(=O)(=O)NCc2cccc(Cl)c2)c(Cl)c1Cl ZINC000223717123 570481100 /nfs/dbraw/zinc/48/11/00/570481100.db2.gz JEBMYYAPEGEKAT-UHFFFAOYSA-N 0 0 380.680 4.134 40 0 GIABRN CN(Cc1cccc2ccccc21)S(=O)(=O)c1ccc(Br)cc1 ZINC000223725380 570481316 /nfs/dbraw/zinc/48/13/16/570481316.db2.gz UBTSXXYFXBSXBY-UHFFFAOYSA-N 0 0 390.302 4.423 40 0 GIABRN O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1ccc(Cl)cc1 ZINC000006529821 570482629 /nfs/dbraw/zinc/48/26/29/570482629.db2.gz HLQUWMVNPUDRGT-UHFFFAOYSA-N 0 0 376.799 4.393 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F ZINC000223747037 570482722 /nfs/dbraw/zinc/48/27/22/570482722.db2.gz WFZFCCRHBIEMPS-QFIPXVFZSA-N 0 0 398.522 4.400 40 0 GIABRN CC[C@@H](CCNC(=O)c1ccc(Cl)cc1)NC(=O)c1ccc(Cl)cc1 ZINC000006554926 570483035 /nfs/dbraw/zinc/48/30/35/570483035.db2.gz LINSMRZNUGPRKT-KRWDZBQOSA-N 0 0 379.287 4.322 40 0 GIABRN Cc1ccccc1CN(C(=O)Cc1ccc(F)cc1)[C@H](C)C(=O)NC1CCCC1 ZINC000223790255 570484706 /nfs/dbraw/zinc/48/47/06/570484706.db2.gz DBDGMSIZUZIYBA-GOSISDBHSA-N 0 0 396.506 4.153 40 0 GIABRN Cc1ccccc1CN(C(=O)Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCC1 ZINC000223790197 570484722 /nfs/dbraw/zinc/48/47/22/570484722.db2.gz DBDGMSIZUZIYBA-SFHVURJKSA-N 0 0 396.506 4.153 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223807203 570485161 /nfs/dbraw/zinc/48/51/61/570485161.db2.gz NIIRLWKPGMLXKX-SFHVURJKSA-N 0 0 396.506 4.153 40 0 GIABRN COC(=O)c1cc(S(=O)(=O)Nc2cccc3ccccc32)ccc1Cl ZINC000223826293 570485726 /nfs/dbraw/zinc/48/57/26/570485726.db2.gz IRUJUFOBPLWMBD-UHFFFAOYSA-N 0 0 375.833 4.081 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)cc1 ZINC000223834097 570486122 /nfs/dbraw/zinc/48/61/22/570486122.db2.gz BNBNKZJAPPQJKM-KRWDZBQOSA-N 0 0 386.923 4.134 40 0 GIABRN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000223831245 570486155 /nfs/dbraw/zinc/48/61/55/570486155.db2.gz XVRGNCSVQJRIPK-UHFFFAOYSA-N 0 0 394.663 4.234 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cc1ccc(Cl)cc1F ZINC000223867889 570487901 /nfs/dbraw/zinc/48/79/01/570487901.db2.gz HUJHTRIZDDMXCY-QGZVFWFLSA-N 0 0 377.843 4.449 40 0 GIABRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)o1 ZINC000223882340 570488495 /nfs/dbraw/zinc/48/84/95/570488495.db2.gz CDWNWOLZYGXWRM-UXHICEINSA-N 0 0 378.501 4.226 40 0 GIABRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(F)cc1 ZINC000223924604 570490562 /nfs/dbraw/zinc/49/05/62/570490562.db2.gz NXNOAUHLLKFLOW-OAHLLOKOSA-N 0 0 398.459 4.118 40 0 GIABRN COc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 ZINC000223934257 570490838 /nfs/dbraw/zinc/49/08/38/570490838.db2.gz ZGPLWRRPOFEFPW-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN Fc1ccc(CCCNC(=S)Nc2ccc(Sc3ncccn3)nc2)cc1 ZINC000223969825 570492205 /nfs/dbraw/zinc/49/22/05/570492205.db2.gz ZXMJHPTXBIOQHS-UHFFFAOYSA-N 0 0 399.520 4.081 40 0 GIABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000223975757 570492289 /nfs/dbraw/zinc/49/22/89/570492289.db2.gz MQIUVCLWDVPTBH-OAHLLOKOSA-N 0 0 395.908 4.238 40 0 GIABRN CSc1ccc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000223984579 570492898 /nfs/dbraw/zinc/49/28/98/570492898.db2.gz JNMVXAMFRUYXQU-UHFFFAOYSA-N 0 0 379.547 4.063 40 0 GIABRN Cc1cc(C(=O)N2CCCCC2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000224001831 570494066 /nfs/dbraw/zinc/49/40/66/570494066.db2.gz GFMDLLJSKQOLKF-UHFFFAOYSA-N 0 0 392.908 4.075 40 0 GIABRN COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(OC)c(Cl)c1)CC(C)(C)O2 ZINC000224022333 570495058 /nfs/dbraw/zinc/49/50/58/570495058.db2.gz NDHWUPZKWZMLIC-INIZCTEOSA-N 0 0 375.852 4.389 40 0 GIABRN Cc1nc(NC(=S)NC2CCCC2)c(Br)cc1Br ZINC000224033239 570495499 /nfs/dbraw/zinc/49/54/99/570495499.db2.gz XFGOIQMNCPGGKN-UHFFFAOYSA-N 0 0 393.148 4.144 40 0 GIABRN COc1c(C)cccc1C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000006860778 570497174 /nfs/dbraw/zinc/49/71/74/570497174.db2.gz QGIDUNFKDLEACJ-UHFFFAOYSA-N 0 0 386.407 4.057 40 0 GIABRN Cc1ccc(C)c(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000224080175 570497618 /nfs/dbraw/zinc/49/76/18/570497618.db2.gz LQRUJAKSFRHDGN-GOSISDBHSA-N 0 0 398.522 4.317 40 0 GIABRN Cc1ccc(C(=O)NCC2CCCCC2)cc1NS(=O)(=O)c1ccccc1 ZINC000224084383 570497638 /nfs/dbraw/zinc/49/76/38/570497638.db2.gz YAEJFHVEECQFNK-UHFFFAOYSA-N 0 0 386.517 4.106 40 0 GIABRN Cc1cc(O[C@@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)ccc1Cl ZINC000224110161 570499105 /nfs/dbraw/zinc/49/91/05/570499105.db2.gz ZPKYRESKNODWLX-KRWDZBQOSA-N 0 0 387.907 4.280 40 0 GIABRN Cc1ccccc1CN(C(=O)CSc1ccccc1)[C@@H](C)C(=O)NCC(C)C ZINC000224112149 570499485 /nfs/dbraw/zinc/49/94/85/570499485.db2.gz NEIIQJIOZAODBU-IBGZPJMESA-N 0 0 398.572 4.277 40 0 GIABRN COc1ccc(Cl)cc1S(=O)(=O)NCCCc1cccc2ccccc21 ZINC000224152982 570501217 /nfs/dbraw/zinc/50/12/17/570501217.db2.gz DCUDRRGXWDETQT-UHFFFAOYSA-N 0 0 389.904 4.413 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)cc1 ZINC000224166336 570501738 /nfs/dbraw/zinc/50/17/38/570501738.db2.gz XAJQODMGSMHMMP-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224179102 570502303 /nfs/dbraw/zinc/50/23/03/570502303.db2.gz YRSWQXAEDCBEGJ-NRFANRHFSA-N 0 0 397.515 4.481 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 ZINC000224183251 570502593 /nfs/dbraw/zinc/50/25/93/570502593.db2.gz WFLGYWREJCONOH-OAQYLSRUSA-N 0 0 398.572 4.421 40 0 GIABRN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000007307137 570502629 /nfs/dbraw/zinc/50/26/29/570502629.db2.gz YNEPRWGNPDJYLC-JOCHJYFZSA-N 0 0 394.496 4.021 40 0 GIABRN CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000000873927 570503367 /nfs/dbraw/zinc/50/33/67/570503367.db2.gz USOZUDGMPRPDJZ-UHFFFAOYSA-N 0 0 399.495 4.088 40 0 GIABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 ZINC000224208378 570503721 /nfs/dbraw/zinc/50/37/21/570503721.db2.gz XJNUXCJTTAEAKS-KRWDZBQOSA-N 0 0 386.923 4.072 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224207227 570503811 /nfs/dbraw/zinc/50/38/11/570503811.db2.gz DUHZPLJIAICECV-HXUWFJFHSA-N 0 0 380.532 4.035 40 0 GIABRN O=S(=O)(Cc1c(Cl)cccc1Cl)NCCOc1ccccc1Cl ZINC000224213087 570503879 /nfs/dbraw/zinc/50/38/79/570503879.db2.gz VIIAMYIIPHNBCB-UHFFFAOYSA-N 0 0 394.707 4.145 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 ZINC000224223723 570504436 /nfs/dbraw/zinc/50/44/36/570504436.db2.gz LXJMLQYRCWPSAQ-FQEVSTJZSA-N 0 0 386.923 4.134 40 0 GIABRN COc1cccc(OCc2cc(C(=O)NCCc3ccccc3)ccc2OC)c1 ZINC000224250675 570505658 /nfs/dbraw/zinc/50/56/58/570505658.db2.gz VFKJAKLGRAAKLW-UHFFFAOYSA-N 0 0 391.467 4.255 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 ZINC000224247647 570505750 /nfs/dbraw/zinc/50/57/50/570505750.db2.gz AQPASOXSSFKAMM-ZDUSSCGKSA-N 0 0 387.863 4.411 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccccc3F)c2)cc1 ZINC000224260473 570506440 /nfs/dbraw/zinc/50/64/40/570506440.db2.gz VTDSJMLYJVVZAD-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000224266828 570506573 /nfs/dbraw/zinc/50/65/73/570506573.db2.gz FBUOTYFOUZOFCT-FQEVSTJZSA-N 0 0 386.923 4.134 40 0 GIABRN Cc1ccc(CSCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 ZINC000027918351 570510902 /nfs/dbraw/zinc/51/09/02/570510902.db2.gz OGTGUOGFWDQEIS-UHFFFAOYSA-N 0 0 382.529 4.493 40 0 GIABRN CCc1cccc(C)c1NC(=O)CSc1nnc2c3cc(F)ccc3[nH]c2n1 ZINC000000886845 570510970 /nfs/dbraw/zinc/51/09/70/570510970.db2.gz MVAKSTKOPBLDEH-UHFFFAOYSA-N 0 0 395.463 4.247 40 0 GIABRN CCCC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000224422742 570512884 /nfs/dbraw/zinc/51/28/84/570512884.db2.gz BRIQYWFBNMUFLI-NRFANRHFSA-N 0 0 398.522 4.480 40 0 GIABRN CCCCOCc1cc(C(=O)Nc2ccc(C(=O)OCC)cc2)ccc1OC ZINC000224439663 570513221 /nfs/dbraw/zinc/51/32/21/570513221.db2.gz WEPXPHNTZGVUQB-UHFFFAOYSA-N 0 0 385.460 4.441 40 0 GIABRN COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)ccc1Cl ZINC000224460196 570514127 /nfs/dbraw/zinc/51/41/27/570514127.db2.gz IRLFUUNVIIYUBU-ZDUSSCGKSA-N 0 0 387.863 4.411 40 0 GIABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000007759807 570514881 /nfs/dbraw/zinc/51/48/81/570514881.db2.gz CTSOTCMDYNRSMP-LLVKDONJSA-N 0 0 392.242 4.127 40 0 GIABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1OC ZINC000224474582 570514916 /nfs/dbraw/zinc/51/49/16/570514916.db2.gz XGUWEHDDYMODGQ-SFHVURJKSA-N 0 0 379.909 4.415 40 0 GIABRN CCOc1ccc(C(=O)N2CCOCC2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224524954 570516393 /nfs/dbraw/zinc/51/63/93/570516393.db2.gz KRSUCNBXHDXVMP-UHFFFAOYSA-N 0 0 397.515 4.434 40 0 GIABRN Cc1ccc(-c2oc(/C=C\C(N)=O)cc2Br)c(Br)c1 ZINC000208755451 570516785 /nfs/dbraw/zinc/51/67/85/570516785.db2.gz DXBQJIBMBXBMNM-HYXAFXHYSA-N 0 0 385.055 4.279 40 0 GIABRN CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1cccc(OC)c1 ZINC000224549438 570517857 /nfs/dbraw/zinc/51/78/57/570517857.db2.gz SYAJBQATUOVEPT-PMACEKPBSA-N 0 0 378.501 4.089 40 0 GIABRN CCOCc1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OC ZINC000007965303 570520249 /nfs/dbraw/zinc/52/02/49/570520249.db2.gz YKMNTMWWJPRAQO-UHFFFAOYSA-N 0 0 379.840 4.155 40 0 GIABRN Cc1c2ccccc2oc1C(=O)N1CC2(C1)C[C@@H](OCc1ccccn1)CS2 ZINC000575405077 570521150 /nfs/dbraw/zinc/52/11/50/570521150.db2.gz ROGQRLUCDXNROL-QGZVFWFLSA-N 0 0 394.496 4.053 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1C ZINC000224632530 570521551 /nfs/dbraw/zinc/52/15/51/570521551.db2.gz KVWBCHUHCLRVRZ-IBGZPJMESA-N 0 0 398.572 4.172 40 0 GIABRN CCOc1ccc(C(=O)N2CCOCC2)cc1COc1cccc2ccccc21 ZINC000224634440 570521599 /nfs/dbraw/zinc/52/15/99/570521599.db2.gz SDFKZOLKOGAXIP-UHFFFAOYSA-N 0 0 391.467 4.290 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 ZINC000224630197 570521656 /nfs/dbraw/zinc/52/16/56/570521656.db2.gz CAWUPMRWJKCMFG-QHCPKHFHSA-N 0 0 394.559 4.426 40 0 GIABRN CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 ZINC000008097683 570522180 /nfs/dbraw/zinc/52/21/80/570522180.db2.gz MQCHVWCUACLOTK-GFCCVEGCSA-N 0 0 392.249 4.032 40 0 GIABRN Cc1cccc(C)c1N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O ZINC000224651752 570522844 /nfs/dbraw/zinc/52/28/44/570522844.db2.gz QEDGXOZNGXZHQP-UHFFFAOYSA-N 0 0 396.597 4.181 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2ccc(OC3CCCC3)cc2)cc1C ZINC000224661268 570523239 /nfs/dbraw/zinc/52/32/39/570523239.db2.gz HPUJHBJBBCRASP-UHFFFAOYSA-N 0 0 375.490 4.150 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSc1ccccc1 ZINC000224668206 570523618 /nfs/dbraw/zinc/52/36/18/570523618.db2.gz BJADDTSXISEJNP-SFHVURJKSA-N 0 0 384.545 4.031 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 ZINC000224669392 570523688 /nfs/dbraw/zinc/52/36/88/570523688.db2.gz VTRLNZSUKHMWJO-IBGZPJMESA-N 0 0 398.572 4.421 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c(C)c1 ZINC000008208139 570524055 /nfs/dbraw/zinc/52/40/55/570524055.db2.gz ZVCCXOGNTNGTRA-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN COC(=O)c1ccc(OC)c(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 ZINC000224687617 570524694 /nfs/dbraw/zinc/52/46/94/570524694.db2.gz JFQOOBXOCQBMAJ-HNNXBMFYSA-N 0 0 385.460 4.320 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)CCc2ccc(OC)c(OC)c2)cc1 ZINC000008316464 570528316 /nfs/dbraw/zinc/52/83/16/570528316.db2.gz YLLWSXQWMXRRGW-UHFFFAOYSA-N 0 0 385.460 4.232 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1 ZINC000224742142 570528575 /nfs/dbraw/zinc/52/85/75/570528575.db2.gz WFCRIBPZJTYAGX-IBGZPJMESA-N 0 0 398.572 4.172 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000224763467 570529917 /nfs/dbraw/zinc/52/99/17/570529917.db2.gz YVRBNQOERFNRDG-KRWDZBQOSA-N 0 0 386.923 4.134 40 0 GIABRN CC1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)CC1 ZINC000000918415 570534879 /nfs/dbraw/zinc/53/48/79/570534879.db2.gz DUGNMHWHPQAWIA-WFASDCNBSA-N 0 0 382.386 4.009 40 0 GIABRN COc1ccc(-c2cnc(CCC(=O)Nc3c(F)cccc3F)o2)c(OC)c1 ZINC000224868265 570535071 /nfs/dbraw/zinc/53/50/71/570535071.db2.gz ZLOOSZYCBGLDRN-UHFFFAOYSA-N 0 0 388.370 4.208 40 0 GIABRN O=C(CCc1ncc(-c2ccc(Br)cc2)o1)NCc1ccccc1 ZINC000224874569 570535584 /nfs/dbraw/zinc/53/55/84/570535584.db2.gz HINUFNDTVGGYKA-UHFFFAOYSA-N 0 0 385.261 4.353 40 0 GIABRN COc1cc(C)c(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C ZINC000224895991 570536878 /nfs/dbraw/zinc/53/68/78/570536878.db2.gz RQDBYOWFGZTBBG-UHFFFAOYSA-N 0 0 375.368 4.011 40 0 GIABRN O=C(Nc1ccccc1)N1CC(=O)N(OCc2ccccc2)[C@H]1c1ccccc1 ZINC000001083113 570537142 /nfs/dbraw/zinc/53/71/42/570537142.db2.gz SKRVEFHHUUXGNQ-QFIPXVFZSA-N 0 0 387.439 4.193 40 0 GIABRN CC[C@@H]1CCCCN1C(=O)CSc1nc2cc(OC)c(OC)cc2cc1C ZINC000000928279 570538775 /nfs/dbraw/zinc/53/87/75/570538775.db2.gz WTSMUDOHRLZOMP-MRXNPFEDSA-N 0 0 388.533 4.444 40 0 GIABRN C[C@H]1CCc2c(sc3ncnc(SCC(=O)N4CCc5ccccc54)c32)C1 ZINC000000928899 570539319 /nfs/dbraw/zinc/53/93/19/570539319.db2.gz QFSKZTYNNLBCBM-ZDUSSCGKSA-N 0 0 395.553 4.498 40 0 GIABRN CN1CCN(C(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000224963496 570539843 /nfs/dbraw/zinc/53/98/43/570539843.db2.gz NRTWZRWJRAISSF-UHFFFAOYSA-N 0 0 381.863 4.050 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSc1ccccc1 ZINC000224974541 570541012 /nfs/dbraw/zinc/54/10/12/570541012.db2.gz GDFPULZAMUWDIT-ZWKOTPCHSA-N 0 0 384.545 4.111 40 0 GIABRN C[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1 ZINC000224979088 570541506 /nfs/dbraw/zinc/54/15/06/570541506.db2.gz VSCGCYAIBFZAOO-HXUWFJFHSA-N 0 0 392.543 4.138 40 0 GIABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000225001101 570542515 /nfs/dbraw/zinc/54/25/15/570542515.db2.gz YVPMCJNMYNNTGG-KRWDZBQOSA-N 0 0 376.456 4.082 40 0 GIABRN COc1ccc2cc(C)c(SCC(=O)Nc3ccc4c(c3)OCO4)nc2c1 ZINC000000932989 570542533 /nfs/dbraw/zinc/54/25/33/570542533.db2.gz LIEAVHPKAQYCGA-UHFFFAOYSA-N 0 0 382.441 4.011 40 0 GIABRN COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2cc1C ZINC000000932990 570542557 /nfs/dbraw/zinc/54/25/57/570542557.db2.gz MYDPTCQSMRREEY-UHFFFAOYSA-N 0 0 396.468 4.069 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000225002963 570542654 /nfs/dbraw/zinc/54/26/54/570542654.db2.gz HOFCNSZSGJOKIZ-VQTJNVASSA-N 0 0 380.532 4.178 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1C1CCCC1 ZINC000225006480 570543106 /nfs/dbraw/zinc/54/31/06/570543106.db2.gz QPNSQEJTUMLRCJ-SFTDATJTSA-N 0 0 389.528 4.182 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C ZINC000225012704 570543442 /nfs/dbraw/zinc/54/34/42/570543442.db2.gz WKGBIYIKQFJVKB-WOJBJXKFSA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000225015508 570543818 /nfs/dbraw/zinc/54/38/18/570543818.db2.gz FCCSYGIWUKABQG-FQEVSTJZSA-N 0 0 388.895 4.281 40 0 GIABRN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C ZINC000225020968 570544200 /nfs/dbraw/zinc/54/42/00/570544200.db2.gz LLBCSBKSLQAAFE-JTQLQIEISA-N 0 0 378.906 4.373 40 0 GIABRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1 ZINC000225033397 570544599 /nfs/dbraw/zinc/54/45/99/570544599.db2.gz CEDLLGMBWGMOLE-RTWAWAEBSA-N 0 0 392.528 4.458 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 ZINC000225052496 570545340 /nfs/dbraw/zinc/54/53/40/570545340.db2.gz XFTOHKNGULJWTG-LEWJYISDSA-N 0 0 394.559 4.486 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1C ZINC000225052229 570545398 /nfs/dbraw/zinc/54/53/98/570545398.db2.gz UEDRZNRTRQNNOH-PMACEKPBSA-N 0 0 380.532 4.178 40 0 GIABRN Cc1c(Cl)cccc1NC(=O)CSc1nnc(Cc2ccccc2)n1C ZINC000000976230 570545479 /nfs/dbraw/zinc/54/54/79/570545479.db2.gz VHVBTOYPRLDWES-UHFFFAOYSA-N 0 0 386.908 4.099 40 0 GIABRN CC(=O)c1ccc(NC(=O)CSc2nnc3cc(C)c4ccccc4n32)cc1 ZINC000000976392 570545580 /nfs/dbraw/zinc/54/55/80/570545580.db2.gz ZPHMFZFPRHVDDH-UHFFFAOYSA-N 0 0 390.468 4.124 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000225091064 570548095 /nfs/dbraw/zinc/54/80/95/570548095.db2.gz AHTQBFSJBCGMHY-FQEVSTJZSA-N 0 0 386.923 4.216 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F ZINC000225093009 570548345 /nfs/dbraw/zinc/54/83/45/570548345.db2.gz SUJUDQPMFJRRRR-ROUUACIJSA-N 0 0 384.495 4.009 40 0 GIABRN COc1ccccc1OC[C@H](C)NC(=O)CSCc1ccc(Cl)cc1F ZINC000225100512 570548840 /nfs/dbraw/zinc/54/88/40/570548840.db2.gz SNRKJXMACJZINI-ZDUSSCGKSA-N 0 0 397.899 4.305 40 0 GIABRN CCn1c(=O)sc2cc(NC(=O)[C@H](C)Oc3ccccc3Cl)ccc21 ZINC000225103134 570548981 /nfs/dbraw/zinc/54/89/81/570548981.db2.gz DUPUFRUKLPPKJI-NSHDSACASA-N 0 0 376.865 4.142 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 ZINC000225134527 570551328 /nfs/dbraw/zinc/55/13/28/570551328.db2.gz IKLPMUIBZVQVGP-SJORKVTESA-N 0 0 386.923 4.215 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F ZINC000225132767 570551438 /nfs/dbraw/zinc/55/14/38/570551438.db2.gz KHDJDDRZGNSYMR-MSOLQXFVSA-N 0 0 384.495 4.009 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 ZINC000225132469 570551496 /nfs/dbraw/zinc/55/14/96/570551496.db2.gz XXYYBVSCOSHECX-PMACEKPBSA-N 0 0 380.532 4.178 40 0 GIABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NC[C@@H](C)c2ccccc2)c1 ZINC000225139174 570551942 /nfs/dbraw/zinc/55/19/42/570551942.db2.gz SASPLRVTFGKGNP-OSVNEOKWSA-N 0 0 388.467 4.279 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 ZINC000225188017 570554360 /nfs/dbraw/zinc/55/43/60/570554360.db2.gz VWIDGGHWOJIKCI-JOCHJYFZSA-N 0 0 380.532 4.180 40 0 GIABRN CC(C)(C)OC(=O)N1CCN(Cc2cnc3ccccn23)[C@@H](c2ccccc2)C1 ZINC000035572453 570554705 /nfs/dbraw/zinc/55/47/05/570554705.db2.gz OWMXTPYYDXANRF-HXUWFJFHSA-N 0 0 392.503 4.128 40 0 GIABRN S=C(NC[C@H]1CCCO1)Nc1cccnc1Sc1ccc(Cl)cc1 ZINC000225191220 570554811 /nfs/dbraw/zinc/55/48/11/570554811.db2.gz PGRZADNMRUQNNV-CYBMUJFWSA-N 0 0 379.938 4.352 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 ZINC000225238103 570558583 /nfs/dbraw/zinc/55/85/83/570558583.db2.gz MGXHHOOLAYBCIA-QZTJIDSGSA-N 0 0 384.495 4.009 40 0 GIABRN CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000009665684 570560396 /nfs/dbraw/zinc/56/03/96/570560396.db2.gz LEEGUUZPFOIUAL-UHFFFAOYSA-N 0 0 384.480 4.149 40 0 GIABRN COc1ccc(Cl)cc1NC(=S)N1CCN(c2cc(C)ccc2C)CC1 ZINC000009877002 570562045 /nfs/dbraw/zinc/56/20/45/570562045.db2.gz LUOBCGQCHFULHE-UHFFFAOYSA-N 0 0 389.952 4.484 40 0 GIABRN S=C(NCCSCc1ccccc1Cl)Nc1ccc2c(c1)OCCO2 ZINC000225296377 570562485 /nfs/dbraw/zinc/56/24/85/570562485.db2.gz NRCHRPDBNWCAKA-UHFFFAOYSA-N 0 0 394.949 4.331 40 0 GIABRN CC[C@H](NC(=O)c1ccc(Cn2ccnc2C)cc1)c1ccc(OC)c(C)c1 ZINC000225301395 570562917 /nfs/dbraw/zinc/56/29/17/570562917.db2.gz HRIGRKJYUNVGAW-NRFANRHFSA-N 0 0 377.488 4.438 40 0 GIABRN CCOc1ccc(-c2noc(CN(C)C(=O)CCc3ccc(Cl)cc3)n2)cc1 ZINC000225312727 570563802 /nfs/dbraw/zinc/56/38/02/570563802.db2.gz WQEJFRGLNCFPSU-UHFFFAOYSA-N 0 0 399.878 4.380 40 0 GIABRN Cc1cccc(CSCCNC(=S)Nc2ccc(N3CCCC3=O)cc2)c1 ZINC000225338587 570565517 /nfs/dbraw/zinc/56/55/17/570565517.db2.gz FYFYWOIDIIGIFJ-UHFFFAOYSA-N 0 0 399.585 4.342 40 0 GIABRN CCOc1ccccc1N[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000036635858 570566561 /nfs/dbraw/zinc/56/65/61/570566561.db2.gz SKLXDDBJKDNLIT-ZDUSSCGKSA-N 0 0 379.243 4.136 40 0 GIABRN Cc1cccc(OCc2nnc(NC(=O)COc3ccc(Cl)cc3)s2)c1 ZINC000001326378 570566670 /nfs/dbraw/zinc/56/66/70/570566670.db2.gz WMPGUHMGNNGSNH-UHFFFAOYSA-N 0 0 389.864 4.096 40 0 GIABRN COC(=O)c1cc(NC(=S)NCCSC2CCCCC2)ccc1Cl ZINC000225358180 570567069 /nfs/dbraw/zinc/56/70/69/570567069.db2.gz DSXVZOMEYDTFSJ-UHFFFAOYSA-N 0 0 386.970 4.479 40 0 GIABRN CCOC(=O)CCSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 ZINC000036644068 570567135 /nfs/dbraw/zinc/56/71/35/570567135.db2.gz CSTOKICXYFASMY-UHFFFAOYSA-N 0 0 388.514 4.109 40 0 GIABRN Fc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCCc3ccccc32)cc1 ZINC000001337711 570570291 /nfs/dbraw/zinc/57/02/91/570570291.db2.gz MBYPTYYTTACAID-HSZRJFAPSA-N 0 0 399.473 4.403 40 0 GIABRN CCc1cc2ccc(C)cc2nc1SCC(=O)NCc1ccc2c(c1)OCO2 ZINC000001340018 570570695 /nfs/dbraw/zinc/57/06/95/570570695.db2.gz REQZBEOODZFXDX-UHFFFAOYSA-N 0 0 394.496 4.243 40 0 GIABRN CC(C)CN(C(=O)COc1ccccc1)c1nnc(-c2cccc(F)c2)s1 ZINC000001345501 570572190 /nfs/dbraw/zinc/57/21/90/570572190.db2.gz FALHTQLIKKQMQY-UHFFFAOYSA-N 0 0 385.464 4.412 40 0 GIABRN CCOc1ccc(-c2nnc(N(C(=O)COc3ccccc3)C(C)C)s2)cc1 ZINC000001345578 570572193 /nfs/dbraw/zinc/57/21/93/570572193.db2.gz YIPGMYANFHMEPE-UHFFFAOYSA-N 0 0 397.500 4.424 40 0 GIABRN COc1cccc(NC(=O)Nc2cccn(Cc3ccc(Cl)cc3)c2=O)c1 ZINC000001354120 570573704 /nfs/dbraw/zinc/57/37/04/570573704.db2.gz KDCYFSDPORCIKE-UHFFFAOYSA-N 0 0 383.835 4.203 40 0 GIABRN CCN(C(=O)c1cccc(F)c1)c1nnc(-c2ccc(OC)c(OC)c2)s1 ZINC000001356551 570574431 /nfs/dbraw/zinc/57/44/31/570574431.db2.gz WKBBRSKFABKLID-UHFFFAOYSA-N 0 0 387.436 4.028 40 0 GIABRN CCOc1ccccc1CNC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000225443674 570574503 /nfs/dbraw/zinc/57/45/03/570574503.db2.gz IBFPUIMYMADFJE-UHFFFAOYSA-N 0 0 383.517 4.007 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)NCc2ccc(OC(C)C)cc2)c(C)c1 ZINC000225447281 570574989 /nfs/dbraw/zinc/57/49/89/570574989.db2.gz AVDKTXLBFNOGLQ-UHFFFAOYSA-N 0 0 386.517 4.446 40 0 GIABRN CCc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)C3CCCCC3)cc2c1 ZINC000001359303 570575749 /nfs/dbraw/zinc/57/57/49/570575749.db2.gz GSQUYFJAFPXDMP-NRFANRHFSA-N 0 0 396.531 4.178 40 0 GIABRN COc1cccc(-c2noc([C@@H]3CCCN(C(=O)Nc4ccc(F)cc4)C3)n2)c1 ZINC000001362483 570576526 /nfs/dbraw/zinc/57/65/26/570576526.db2.gz GZSYSXJNSAVMPB-OAHLLOKOSA-N 0 0 396.422 4.296 40 0 GIABRN COC(=O)c1ccc2nc(-c3ccc(I)cc3)sc2c1 ZINC000073740441 570577075 /nfs/dbraw/zinc/57/70/75/570577075.db2.gz OCGRDHUAEGFHHF-UHFFFAOYSA-N 0 0 395.221 4.355 40 0 GIABRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 ZINC000225470598 570577675 /nfs/dbraw/zinc/57/76/75/570577675.db2.gz UMKTXDLNJSBBGV-IBGZPJMESA-N 0 0 398.572 4.252 40 0 GIABRN Cc1cccc(CSCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)c1 ZINC000225474753 570578050 /nfs/dbraw/zinc/57/80/50/570578050.db2.gz BWOIQFGMBVUSFQ-LJQANCHMSA-N 0 0 398.572 4.170 40 0 GIABRN Cc1ccc(SCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225477359 570578637 /nfs/dbraw/zinc/57/86/37/570578637.db2.gz UKFCMGVDUDEFRM-IBGZPJMESA-N 0 0 398.572 4.337 40 0 GIABRN O=C(NCc1ccc(Cl)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000225508536 570581374 /nfs/dbraw/zinc/58/13/74/570581374.db2.gz CDZIGOPXQPHBBK-UYRXBGFRSA-N 0 0 396.899 4.489 40 0 GIABRN CCOc1ccc(C(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1C ZINC000225509220 570581835 /nfs/dbraw/zinc/58/18/35/570581835.db2.gz JCIFYXNHZPWZRB-UHFFFAOYSA-N 0 0 385.851 4.369 40 0 GIABRN Cc1ccc2c(c1)cc(CN(C(=O)c1cccs1)C1CCCC1)c1nnnn12 ZINC000001376883 570581831 /nfs/dbraw/zinc/58/18/31/570581831.db2.gz WAAXGVWAGWYVGG-UHFFFAOYSA-N 0 0 391.500 4.232 40 0 GIABRN Cc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000038753472 570581847 /nfs/dbraw/zinc/58/18/47/570581847.db2.gz RYCXHLKTWCSSRV-UHFFFAOYSA-N 0 0 394.496 4.068 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)NCc2cccc(OC(C)C)c2)c1 ZINC000225524108 570583625 /nfs/dbraw/zinc/58/36/25/570583625.db2.gz RKUNTCGMDUDRAK-UHFFFAOYSA-N 0 0 392.908 4.400 40 0 GIABRN COc1cccc(CCCNC(=S)Nc2cccc(Br)c2)c1 ZINC000225552593 570587597 /nfs/dbraw/zinc/58/75/97/570587597.db2.gz KMLWVMDCHPQAAH-UHFFFAOYSA-N 0 0 379.323 4.377 40 0 GIABRN Cc1ccccc1CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)C ZINC000225574141 570589686 /nfs/dbraw/zinc/58/96/86/570589686.db2.gz QPCABTPSXCLVRU-QGZVFWFLSA-N 0 0 386.923 4.133 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 ZINC000225584856 570591460 /nfs/dbraw/zinc/59/14/60/570591460.db2.gz AIFWCVUYYAFFIS-PGRDOPGGSA-N 0 0 398.522 4.399 40 0 GIABRN CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225590599 570591880 /nfs/dbraw/zinc/59/18/80/570591880.db2.gz MLTNBECDSBIWOY-SFHVURJKSA-N 0 0 398.522 4.263 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=S)NCCCSCc2ccco2)c1 ZINC000225594539 570592293 /nfs/dbraw/zinc/59/22/93/570592293.db2.gz AOLIIMQSPPEHGD-UHFFFAOYSA-N 0 0 392.546 4.375 40 0 GIABRN O=C1CCCN1c1cccc(NC(=S)NCCCSCc2ccccc2)c1 ZINC000225599052 570592712 /nfs/dbraw/zinc/59/27/12/570592712.db2.gz BNDRMELCRNFCLF-UHFFFAOYSA-N 0 0 399.585 4.423 40 0 GIABRN Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21 ZINC000040133246 570596137 /nfs/dbraw/zinc/59/61/37/570596137.db2.gz RMCAGPMISDBGBY-MGFJAUSVSA-N 0 0 381.495 4.112 40 0 GIABRN CCc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(Br)cc2)cc1 ZINC000225631324 570596574 /nfs/dbraw/zinc/59/65/74/570596574.db2.gz YGZCCQFPDABMBD-ZDUSSCGKSA-N 0 0 382.323 4.192 40 0 GIABRN Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000225638186 570596954 /nfs/dbraw/zinc/59/69/54/570596954.db2.gz WEVLYVCWWAOMTB-QGZVFWFLSA-N 0 0 397.544 4.184 40 0 GIABRN C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(C(=O)N(C)C)cc1 ZINC000225661592 570599161 /nfs/dbraw/zinc/59/91/61/570599161.db2.gz GYICEXVLMYNFHR-INIZCTEOSA-N 0 0 383.561 4.431 40 0 GIABRN COc1ccc2cc(S(=O)(=O)NCc3cccc(C(F)(F)F)c3)ccc2c1 ZINC000225659096 570599296 /nfs/dbraw/zinc/59/92/96/570599296.db2.gz FONCSCWTAYYWGQ-UHFFFAOYSA-N 0 0 395.402 4.346 40 0 GIABRN CC[C@H](Oc1ccccc1OC)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000225669549 570600696 /nfs/dbraw/zinc/60/06/96/570600696.db2.gz QSCVEIHEVOATCW-HNNXBMFYSA-N 0 0 399.472 4.018 40 0 GIABRN CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C(=O)OC ZINC000225682805 570602694 /nfs/dbraw/zinc/60/26/94/570602694.db2.gz PIBMFSREGHYKDV-UHFFFAOYSA-N 0 0 385.435 4.462 40 0 GIABRN Cc1ccc(SCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225682275 570602774 /nfs/dbraw/zinc/60/27/74/570602774.db2.gz ZVGBZANUSVDFLZ-LJQANCHMSA-N 0 0 398.572 4.072 40 0 GIABRN CCCC(=O)N1CCC[C@@H]1Cn1c2ccc(C)cc2c(=O)cc1C(F)(F)F ZINC000012085348 570606073 /nfs/dbraw/zinc/60/60/73/570606073.db2.gz WZFKOJXWPOEBKH-CQSZACIVSA-N 0 0 380.410 4.120 40 0 GIABRN CC[C@@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000225722421 570608953 /nfs/dbraw/zinc/60/89/53/570608953.db2.gz VEMDGRMARBLSAX-MRXNPFEDSA-N 0 0 382.938 4.181 40 0 GIABRN CCn1c2ncccc2nc1[C@H](CC(C)C)NC(=O)Cc1c[nH]c2ccccc12 ZINC000012114147 570609700 /nfs/dbraw/zinc/60/97/00/570609700.db2.gz JLXSVDHKZXDWOG-FQEVSTJZSA-N 0 0 389.503 4.379 40 0 GIABRN CCc1[nH]c2ccc(C(=O)N3CCC(CCn4ccnc4C)CC3)cc2c1C ZINC000012116949 570611330 /nfs/dbraw/zinc/61/13/30/570611330.db2.gz DKLGGFZJWREGRS-UHFFFAOYSA-N 0 0 378.520 4.486 40 0 GIABRN CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000225745568 570612511 /nfs/dbraw/zinc/61/25/11/570612511.db2.gz QPYXOVSXXNBEMP-QFIPXVFZSA-N 0 0 380.532 4.199 40 0 GIABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)c1 ZINC000225743886 570612541 /nfs/dbraw/zinc/61/25/41/570612541.db2.gz ZFVPGMWWGKFLIO-GOSISDBHSA-N 0 0 377.488 4.388 40 0 GIABRN CCOc1ccc([C@@H](C)NC(=S)Nc2ccc3c(c2)OCO3)cc1OCC ZINC000225749796 570612911 /nfs/dbraw/zinc/61/29/11/570612911.db2.gz FMXBQMWRYQOSAL-CYBMUJFWSA-N 0 0 388.489 4.260 40 0 GIABRN Cn1ccc([C@@H]2CCCCCN2C(=O)c2cc(-c3cccc(Cl)c3)on2)n1 ZINC000012119539 570613159 /nfs/dbraw/zinc/61/31/59/570613159.db2.gz RTYQOYUIFRZLAD-SFHVURJKSA-N 0 0 384.867 4.486 40 0 GIABRN Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3cccc(Br)c3)c2c1 ZINC000225754945 570613773 /nfs/dbraw/zinc/61/37/73/570613773.db2.gz VBCKZBKYRJGJDV-UHFFFAOYSA-N 0 0 385.261 4.020 40 0 GIABRN COc1ccccc1NC(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000225766483 570614834 /nfs/dbraw/zinc/61/48/34/570614834.db2.gz WNXIHOGJTBXLHP-UHFFFAOYSA-N 0 0 389.455 4.312 40 0 GIABRN COc1cccc(-c2nnsc2C(=O)Nc2ccc(OC)c(Cl)c2)c1 ZINC000225766815 570615018 /nfs/dbraw/zinc/61/50/18/570615018.db2.gz GILCTUSTAOKYNS-UHFFFAOYSA-N 0 0 375.837 4.128 40 0 GIABRN Cc1sc2[nH]c([C@@H]3CCCN(C(=O)c4ccccc4F)C3)nc(=O)c2c1C ZINC000012144831 570615937 /nfs/dbraw/zinc/61/59/37/570615937.db2.gz DAZOTZLKHSRFBK-CYBMUJFWSA-N 0 0 385.464 4.173 40 0 GIABRN CCc1nc2cc(NC(=O)CCCc3nc4cc(F)ccc4[nH]3)ccc2n1C ZINC000012147371 570617107 /nfs/dbraw/zinc/61/71/07/570617107.db2.gz MKBRBBICEKNEDQ-UHFFFAOYSA-N 0 0 379.439 4.113 40 0 GIABRN CCOc1ccccc1-c1cc(C(=O)Nc2n[nH]c(-c3cccs3)c2C)n[nH]1 ZINC000012147448 570617252 /nfs/dbraw/zinc/61/72/52/570617252.db2.gz MCKIPOXPTULCGC-UHFFFAOYSA-N 0 0 393.472 4.488 40 0 GIABRN COc1cccc(NC(=O)c2snnc2-c2ccc(Br)cc2)c1 ZINC000225784213 570617262 /nfs/dbraw/zinc/61/72/62/570617262.db2.gz NRNVXFJHAWIFQA-UHFFFAOYSA-N 0 0 390.262 4.229 40 0 GIABRN Cc1ccc(OC[C@H](C)NC(=S)Nc2cccc(N3CCCC3=O)c2)cc1C ZINC000225791712 570617843 /nfs/dbraw/zinc/61/78/43/570617843.db2.gz KZZBSUZRLCBRDF-KRWDZBQOSA-N 0 0 397.544 4.184 40 0 GIABRN COc1cccc(CNc2ncc(-c3cc(C)no3)c(-c3ccc(C)nc3)n2)c1 ZINC000012154383 570618006 /nfs/dbraw/zinc/61/80/06/570618006.db2.gz BJMMOSHBHWHIQQ-UHFFFAOYSA-N 0 0 387.443 4.431 40 0 GIABRN O=C(Cc1c(F)cccc1Cl)NC1(c2ccc3c(c2)OCO3)CCCC1 ZINC000012155545 570618496 /nfs/dbraw/zinc/61/84/96/570618496.db2.gz DJAHTHBOMFRCLC-UHFFFAOYSA-N 0 0 375.827 4.336 40 0 GIABRN Cc1cc(-c2cncnc2-c2ccc(CNC(=O)c3ccccc3F)cc2)on1 ZINC000012158850 570619116 /nfs/dbraw/zinc/61/91/16/570619116.db2.gz ZAWXOLIKPTZNIT-UHFFFAOYSA-N 0 0 388.402 4.176 40 0 GIABRN CCCOc1ccc(NC(=O)C2(OC)CCCCCC2)cc1C(=O)OCC ZINC000225806304 570619452 /nfs/dbraw/zinc/61/94/52/570619452.db2.gz DMLQGOMVLSYJDJ-UHFFFAOYSA-N 0 0 377.481 4.330 40 0 GIABRN Cc1cc2ccc(C)c(C)c2n2c(SCC(=O)NCc3ccccc3)nnc12 ZINC000004161044 570619536 /nfs/dbraw/zinc/61/95/36/570619536.db2.gz BTEHVNLXUCLWKP-UHFFFAOYSA-N 0 0 390.512 4.216 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)ccc1OCC(C)C ZINC000225808418 570619820 /nfs/dbraw/zinc/61/98/20/570619820.db2.gz AHAKQVSPKQIDGJ-AOMKIAJQSA-N 0 0 391.508 4.432 40 0 GIABRN COc1ccc(CCNc2ncc(-c3cnccn3)c(-c3cccs3)n2)cc1 ZINC000012184729 570620287 /nfs/dbraw/zinc/62/02/87/570620287.db2.gz VQDGRLONZVVCHO-UHFFFAOYSA-N 0 0 389.484 4.325 40 0 GIABRN COc1cc(CNc2ncc(-c3cc(C)no3)c(-c3ccco3)n2)cc(OC)c1 ZINC000012184337 570620346 /nfs/dbraw/zinc/62/03/46/570620346.db2.gz PYTRTRJMODUWAS-UHFFFAOYSA-N 0 0 392.415 4.329 40 0 GIABRN Cc1ccccc1-c1noc(CCC(=O)N2CCC(Cc3ccccc3)CC2)n1 ZINC000225816389 570621145 /nfs/dbraw/zinc/62/11/45/570621145.db2.gz ZDJGVNYEIVAWAI-UHFFFAOYSA-N 0 0 389.499 4.459 40 0 GIABRN CCOc1ccccc1NC(=S)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000225820377 570621674 /nfs/dbraw/zinc/62/16/74/570621674.db2.gz FBLIRNRRTPFEME-UHFFFAOYSA-N 0 0 388.880 4.275 40 0 GIABRN COc1ccc(-c2noc(CNC(=S)Nc3ccc(OC(C)C)cc3)n2)cc1 ZINC000225824416 570621910 /nfs/dbraw/zinc/62/19/10/570621910.db2.gz PQHQNYOZRJINCT-UHFFFAOYSA-N 0 0 398.488 4.019 40 0 GIABRN Cc1cc(C)cc(-c2nnc(SCC(=O)c3ccc4c(c3)OCCO4)o2)c1 ZINC000004188450 570621997 /nfs/dbraw/zinc/62/19/97/570621997.db2.gz WRSUQPGAAXHXCS-UHFFFAOYSA-N 0 0 382.441 4.100 40 0 GIABRN CCc1ccccc1O[C@H](C)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000225827186 570622336 /nfs/dbraw/zinc/62/23/36/570622336.db2.gz BFHLYZGWBLQHMR-CYBMUJFWSA-N 0 0 383.473 4.182 40 0 GIABRN FC(F)(F)c1ccc(NC(=S)NCc2nc(-c3cccs3)no2)cc1 ZINC000225827148 570622422 /nfs/dbraw/zinc/62/24/22/570622422.db2.gz SNKYAOMNZKMMSO-UHFFFAOYSA-N 0 0 384.408 4.304 40 0 GIABRN CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 ZINC000225840392 570624718 /nfs/dbraw/zinc/62/47/18/570624718.db2.gz TZWJEUGQFAKZPS-OAQYLSRUSA-N 0 0 379.497 4.430 40 0 GIABRN Cc1cc2oc(C(=O)Nc3cccc(-c4csnn4)c3)cc(=O)c2cc1C ZINC000012202071 570625036 /nfs/dbraw/zinc/62/50/36/570625036.db2.gz LCQICNYKQOYDHO-UHFFFAOYSA-N 0 0 377.425 4.181 40 0 GIABRN CCOc1cc2c(cc1OCC)[C@H](C)N(C(=O)c1cnc(C(C)(C)C)nc1)CC2 ZINC000012205644 570626104 /nfs/dbraw/zinc/62/61/04/570626104.db2.gz MNEJVYUWPMJPOB-HNNXBMFYSA-N 0 0 397.519 4.331 40 0 GIABRN CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OC)c2)CCCC1 ZINC000225849559 570626202 /nfs/dbraw/zinc/62/62/02/570626202.db2.gz QZCPXBXJMGFPPY-OAHLLOKOSA-N 0 0 377.481 4.328 40 0 GIABRN CC(C)[C@@H]1c2cccn2CCN1C(=O)CCCc1nc(-c2ccccc2)no1 ZINC000012220113 570627512 /nfs/dbraw/zinc/62/75/12/570627512.db2.gz CODMZGATVDEHDP-OAQYLSRUSA-N 0 0 378.476 4.100 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 ZINC000225860259 570627771 /nfs/dbraw/zinc/62/77/71/570627771.db2.gz VKIJAWZREZSRSC-MRXNPFEDSA-N 0 0 381.472 4.457 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)NC2(c3ccco3)CCCC2)c1 ZINC000225862040 570628338 /nfs/dbraw/zinc/62/83/38/570628338.db2.gz GMZBQIGUPCTHQC-UHFFFAOYSA-N 0 0 378.881 4.476 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)NC2(CCOC)CCCC2)cc1Cl ZINC000225866790 570628522 /nfs/dbraw/zinc/62/85/22/570628522.db2.gz RZLNKXREOPPONT-UHFFFAOYSA-N 0 0 384.929 4.152 40 0 GIABRN CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)c2cccc(F)c2)C1 ZINC000012238706 570629526 /nfs/dbraw/zinc/62/95/26/570629526.db2.gz OSWYWOMVZHXGRN-LJQANCHMSA-N 0 0 376.435 4.121 40 0 GIABRN Cc1cc(NC(=O)COc2cccc3c2CCCC3)ccc1N1CCCC1=O ZINC000225878835 570629915 /nfs/dbraw/zinc/62/99/15/570629915.db2.gz BZRICOLYCZEITB-UHFFFAOYSA-N 0 0 378.472 4.018 40 0 GIABRN CC(C)NC(=S)Nc1nc(Oc2ccccc2)cc(N2CCC[C@@H](C)C2)n1 ZINC000225888950 570630891 /nfs/dbraw/zinc/63/08/91/570630891.db2.gz XIBUWFFALFZCLY-OAHLLOKOSA-N 0 0 385.537 4.200 40 0 GIABRN Cc1ccc(CNC(=S)Nc2nc(Cl)cc(N3Cc4ccccc4C3)n2)o1 ZINC000225916854 570633101 /nfs/dbraw/zinc/63/31/01/570633101.db2.gz OSTFRGKRUKBDDY-UHFFFAOYSA-N 0 0 399.907 4.038 40 0 GIABRN COc1ccc([C@H](C)NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)cc1 ZINC000225916727 570633184 /nfs/dbraw/zinc/63/31/84/570633184.db2.gz NSUMSIHEGOTJQG-INIZCTEOSA-N 0 0 376.460 4.337 40 0 GIABRN CC(C)Oc1ccc(NC(=O)C2(C)COC(c3ccc(Cl)cc3)OC2)cn1 ZINC000225919317 570633591 /nfs/dbraw/zinc/63/35/91/570633591.db2.gz WZTGHOZPNQURKV-UHFFFAOYSA-N 0 0 390.867 4.213 40 0 GIABRN Cc1ccc(C)c(S(=O)(=O)N2c3ccc(Br)cc3C[C@@H]2C)c1 ZINC000225926989 570633873 /nfs/dbraw/zinc/63/38/73/570633873.db2.gz OWPIMICDNOEALD-ZDUSSCGKSA-N 0 0 380.307 4.206 40 0 GIABRN CCC(C(=O)Nc1ccc(OCCOC)nc1)(c1ccccc1)c1ccccc1 ZINC000225935190 570634790 /nfs/dbraw/zinc/63/47/90/570634790.db2.gz IYZYNMGXPYTJTM-UHFFFAOYSA-N 0 0 390.483 4.442 40 0 GIABRN Cc1ccccc1NC(=O)c1sc2nc3cc4c(cc3cc2c1N)OCCO4 ZINC000004848846 570634945 /nfs/dbraw/zinc/63/49/45/570634945.db2.gz SNLORPRBBPJJPE-UHFFFAOYSA-N 0 0 391.452 4.364 40 0 GIABRN C[C@@H]1CCCCN1c1cc(Cl)nc(NC(=S)NCc2ccc(F)cc2)n1 ZINC000225950981 570635977 /nfs/dbraw/zinc/63/59/77/570635977.db2.gz LFNSHYCYAUACPT-GFCCVEGCSA-N 0 0 393.919 4.135 40 0 GIABRN CC(C)c1ccc(NC(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)cc1 ZINC000225973195 570637381 /nfs/dbraw/zinc/63/73/81/570637381.db2.gz IORLWWTVYNGUEH-UHFFFAOYSA-N 0 0 380.897 4.112 40 0 GIABRN O=C(CCNC(=O)c1ccc2[nH]c(Cl)nc2c1)Nc1cccc2ccccc21 ZINC000225980329 570637667 /nfs/dbraw/zinc/63/76/67/570637667.db2.gz PZCXJGKKBVGHIR-UHFFFAOYSA-N 0 0 392.846 4.128 40 0 GIABRN CCc1ccccc1NC(=S)N1[C@@H]2CCC[C@H]1CC(NC(=O)C(C)(C)C)C2 ZINC000004857385 570638788 /nfs/dbraw/zinc/63/87/88/570638788.db2.gz ICNGHSWSEXFDOE-AYHJJNSGSA-N 0 0 387.593 4.494 40 0 GIABRN CCCCn1c(SCC(=O)N2CCCCCC2)nnc1-c1ccoc1C ZINC000004860825 570640602 /nfs/dbraw/zinc/64/06/02/570640602.db2.gz YWNBWKDVTYAVRF-UHFFFAOYSA-N 0 0 376.526 4.141 40 0 GIABRN CCCCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccco1 ZINC000004861134 570640880 /nfs/dbraw/zinc/64/08/80/570640880.db2.gz UBGGNEXAWMRXAJ-UHFFFAOYSA-N 0 0 386.477 4.078 40 0 GIABRN COCCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1ccccc1C ZINC000004861249 570641012 /nfs/dbraw/zinc/64/10/12/570641012.db2.gz PUUASVCVHFIUBT-UHFFFAOYSA-N 0 0 393.487 4.134 40 0 GIABRN CNc1nc(-c2ccc(OC)c(NC(=O)c3ccc(OC)c(OC)c3)c2)cs1 ZINC000226092495 570641206 /nfs/dbraw/zinc/64/12/06/570641206.db2.gz PHIDNEDLFCSSQF-UHFFFAOYSA-N 0 0 399.472 4.130 40 0 GIABRN Cc1cc(Br)cc(C)c1NC(=O)c1cn2c3c(cccc3c1=O)CC2 ZINC000226093665 570641713 /nfs/dbraw/zinc/64/17/13/570641713.db2.gz SKTMLYXQVZINGL-UHFFFAOYSA-N 0 0 397.272 4.189 40 0 GIABRN COCCN(C(=O)/C=C/c1ccccc1)c1nnc(-c2ccc(F)cc2)s1 ZINC000004880349 570642210 /nfs/dbraw/zinc/64/22/10/570642210.db2.gz WLRPTTDFBUWKQZ-KPKJPENVSA-N 0 0 383.448 4.037 40 0 GIABRN CCOc1ccc(C(=O)NC2CCN(C(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000004888452 570643150 /nfs/dbraw/zinc/64/31/50/570643150.db2.gz SBCKNROEWLNOGL-UHFFFAOYSA-N 0 0 395.503 4.128 40 0 GIABRN COc1ccc(OC)c(NC(=O)CSCc2ccc(Br)cc2)c1 ZINC000032793754 570643963 /nfs/dbraw/zinc/64/39/63/570643963.db2.gz UVTGWBQJIPDDNP-UHFFFAOYSA-N 0 0 396.306 4.338 40 0 GIABRN O[C@@H]1c2cc(-c3ccc(F)cc3)cnc2Sc2nc(-c3ccccc3)nn21 ZINC000012336922 570644785 /nfs/dbraw/zinc/64/47/85/570644785.db2.gz CIRSYWYVOKQAAW-LJQANCHMSA-N 0 0 376.416 4.150 40 0 GIABRN CCCCNC(=S)N(Cc1cc2cc(C)ccc2n2nnnc12)C1CCCC1 ZINC000004910870 570648412 /nfs/dbraw/zinc/64/84/12/570648412.db2.gz HWVZHKYHNJEZRD-UHFFFAOYSA-N 0 0 396.564 4.005 40 0 GIABRN CCCN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000004909704 570648487 /nfs/dbraw/zinc/64/84/87/570648487.db2.gz BMYIYPUUYIPLSH-NRFANRHFSA-N 0 0 395.434 4.188 40 0 GIABRN COc1ccccc1NC(=O)CSc1nnc(COc2cccc(C)c2C)o1 ZINC000059176131 570651200 /nfs/dbraw/zinc/65/12/00/570651200.db2.gz PKRKRGJAYKYYOU-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN Cc1cc2nc([C@@H]3CCCN(C(=S)NCCc4ccccc4)C3)[nH]c2cc1C ZINC000004967251 570654187 /nfs/dbraw/zinc/65/41/87/570654187.db2.gz NIGAYFDHQRUQMB-LJQANCHMSA-N 0 0 392.572 4.476 40 0 GIABRN CCOc1ccccc1C(=O)N(CCOC)c1nnc(-c2ccccc2C)s1 ZINC000004982466 570656263 /nfs/dbraw/zinc/65/62/63/570656263.db2.gz BZZIRPCNOYGSPT-UHFFFAOYSA-N 0 0 397.500 4.205 40 0 GIABRN COc1cc(C=C2SC(=O)NC2=O)ccc1OCc1ccccc1Cl ZINC000005027630 570658131 /nfs/dbraw/zinc/65/81/31/570658131.db2.gz DWJIGDFGQFQPGD-CXUHLZMHSA-N 0 0 375.833 4.252 40 0 GIABRN CCc1nc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)[nH]c(=O)c1C ZINC000005054676 570658242 /nfs/dbraw/zinc/65/82/42/570658242.db2.gz LOPXAPHFUIEBNP-UHFFFAOYSA-N 0 0 395.484 4.164 40 0 GIABRN O=C(c1ccccc1)N(CN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000059502178 570659542 /nfs/dbraw/zinc/65/95/42/570659542.db2.gz DOXWRQLJJJCXKG-UHFFFAOYSA-N 0 0 390.826 4.241 40 0 GIABRN Cc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)/C=C/c1ccccc1 ZINC000059502338 570659615 /nfs/dbraw/zinc/65/96/15/570659615.db2.gz WMVPPZJSDLKCNL-FOCLMDBBSA-N 0 0 396.446 4.295 40 0 GIABRN O=C(COc1ccccc1-n1cnnc1-c1ccco1)Nc1ccc(Cl)cc1 ZINC000006678065 570672791 /nfs/dbraw/zinc/67/27/91/570672791.db2.gz ZMSNKZRWWVYKSJ-UHFFFAOYSA-N 0 0 394.818 4.198 40 0 GIABRN Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1Cl ZINC000054363165 570677610 /nfs/dbraw/zinc/67/76/10/570677610.db2.gz VYBIHVUIJJLWFM-UWVGGRQHSA-N 0 0 380.735 4.078 40 0 GIABRN CC1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)CC1 ZINC000054363498 570677603 /nfs/dbraw/zinc/67/76/03/570677603.db2.gz BIQJLGGEZVZPGX-UHFFFAOYSA-N 0 0 387.126 4.177 40 0 GIABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 ZINC000055053284 570680688 /nfs/dbraw/zinc/68/06/88/570680688.db2.gz POAZUQUOHLLTBG-HNNXBMFYSA-N 0 0 384.501 4.051 40 0 GIABRN Cc1cc(C)c(CSC2=N[C@H](c3ccccc3)C(C(N)=O)=C(C)N2)c(C)c1 ZINC000408991228 570690118 /nfs/dbraw/zinc/69/01/18/570690118.db2.gz PWGCPLLJYNGBTN-HXUWFJFHSA-N 0 0 379.529 4.305 40 0 GIABRN COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc(Cl)c1O ZINC000260762919 570703956 /nfs/dbraw/zinc/70/39/56/570703956.db2.gz HVFUZUNPSXRJAS-HPEXNQPKSA-N 0 0 375.881 4.039 40 0 GIABRN Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1cccnc1 ZINC000260766295 570704291 /nfs/dbraw/zinc/70/42/91/570704291.db2.gz JOLBTLIYHUYHCJ-GQWLDOHISA-N 0 0 389.528 4.473 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3Cc3ccccn3)N21 ZINC000260778217 570705196 /nfs/dbraw/zinc/70/51/96/570705196.db2.gz RJUSZUDLJUIPMG-QMMLZNLJSA-N 0 0 389.528 4.306 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3C[C@@H]3CCCO3)N21 ZINC000260788401 570705637 /nfs/dbraw/zinc/70/56/37/570705637.db2.gz ZTTHKDXAEIIQQI-GJJHYRHESA-N 0 0 382.533 4.042 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1C[C@H]1CCCO1 ZINC000260922575 570714574 /nfs/dbraw/zinc/71/45/74/570714574.db2.gz QBWXCYYFNXVURZ-NRSPTQNISA-N 0 0 396.560 4.150 40 0 GIABRN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C ZINC000002451653 570720213 /nfs/dbraw/zinc/72/02/13/570720213.db2.gz PWPMYZCPWXHLQW-UHFFFAOYSA-N 0 0 386.908 4.483 40 0 GIABRN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000002923364 570722385 /nfs/dbraw/zinc/72/23/85/570722385.db2.gz MRUITIAYLBGSNS-KRWDZBQOSA-N 0 0 388.851 4.088 40 0 GIABRN COc1ccc(Cl)cc1C1=N/C(=C\c2cccc(Br)c2)C(=O)O1 ZINC000103345234 570724971 /nfs/dbraw/zinc/72/49/71/570724971.db2.gz PNCGMZQNWBRVEU-ZSOIEALJSA-N 0 0 392.636 4.456 40 0 GIABRN CCCOC(=O)c1cc(NC(=O)Cn2cc(C=O)c3ccccc32)ccc1Cl ZINC000005946729 570736652 /nfs/dbraw/zinc/73/66/52/570736652.db2.gz DVZWYFYTMZSSHF-UHFFFAOYSA-N 0 0 398.846 4.313 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)Cn2c(C)c(C=O)c3ccccc32)cc1 ZINC000005946210 570736750 /nfs/dbraw/zinc/73/67/50/570736750.db2.gz CYUPCSQAFTZDHF-UHFFFAOYSA-N 0 0 392.455 4.358 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)cc1 ZINC000006362225 570741596 /nfs/dbraw/zinc/74/15/96/570741596.db2.gz JUCSZHAXONPUQP-UHFFFAOYSA-N 0 0 394.496 4.367 40 0 GIABRN COc1ccc(N2C[C@@H](C(=O)Nc3ccc(OCCC(C)C)cc3)CC2=O)cc1 ZINC000006325902 570742499 /nfs/dbraw/zinc/74/24/99/570742499.db2.gz DTJDLXBMMXODEM-KRWDZBQOSA-N 0 0 396.487 4.112 40 0 GIABRN CCCC1=Nc2ncnn2[C@@H](c2ccc(Cl)cc2Cl)C1C(=O)OCC ZINC000006634934 570748461 /nfs/dbraw/zinc/74/84/61/570748461.db2.gz TZJFZJQTNPTJCA-HNNXBMFYSA-N 0 0 381.263 4.217 40 0 GIABRN Cc1nc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)ccc1Br ZINC000006792483 570749709 /nfs/dbraw/zinc/74/97/09/570749709.db2.gz ZWTKIDIYYCVCJR-UHFFFAOYSA-N 0 0 381.098 4.100 40 0 GIABRN COc1ccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000006736467 570750528 /nfs/dbraw/zinc/75/05/28/570750528.db2.gz KBJHEEDUXZLEJQ-UHFFFAOYSA-N 0 0 377.878 4.085 40 0 GIABRN CCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1 ZINC000006879992 570752556 /nfs/dbraw/zinc/75/25/56/570752556.db2.gz YTMSKEOEJGSFNB-UHFFFAOYSA-N 0 0 376.909 4.352 40 0 GIABRN Cc1cccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccccc2)c1 ZINC000006967821 570754580 /nfs/dbraw/zinc/75/45/80/570754580.db2.gz DLBPERDUQHGSMK-UHFFFAOYSA-N 0 0 392.528 4.347 40 0 GIABRN CC1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000007360891 570758289 /nfs/dbraw/zinc/75/82/89/570758289.db2.gz BNGIBSFOWSEYBD-UHFFFAOYSA-N 0 0 392.908 4.013 40 0 GIABRN S=c1[nH]nc(-c2ccncc2)n1NCc1ccc(OCc2ccccc2)cc1 ZINC000007601798 570761034 /nfs/dbraw/zinc/76/10/34/570761034.db2.gz QFNYECJAWWLEOW-UHFFFAOYSA-N 0 0 389.484 4.325 40 0 GIABRN CCOc1c(Br)cc(C(=O)Nc2ccc(OC)cc2)cc1OC ZINC000007652140 570761793 /nfs/dbraw/zinc/76/17/93/570761793.db2.gz JMDMAHRAUSDONH-UHFFFAOYSA-N 0 0 380.238 4.117 40 0 GIABRN O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000007875039 570762313 /nfs/dbraw/zinc/76/23/13/570762313.db2.gz RCFKVJWUSHTENH-UHFFFAOYSA-N 0 0 390.842 4.059 40 0 GIABRN CC(C)(C(=O)N1CC[C@](C)(O)[C@@H](Oc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000257224966 570763548 /nfs/dbraw/zinc/76/35/48/570763548.db2.gz FEEBPHGQMGMGQO-UGKGYDQZSA-N 0 0 387.907 4.049 40 0 GIABRN Cc1ccc(OCC(=O)N2CCC[C@H](c3ncc(Cc4ccccc4)o3)C2)cc1 ZINC000257225486 570763566 /nfs/dbraw/zinc/76/35/66/570763566.db2.gz FGJRVXRWPOQTER-FQEVSTJZSA-N 0 0 390.483 4.359 40 0 GIABRN CCc1n[nH]c(=S)n1NCc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000008339152 570768240 /nfs/dbraw/zinc/76/82/40/570768240.db2.gz KSYOSVRZUFOBFK-UHFFFAOYSA-N 0 0 384.505 4.143 40 0 GIABRN COc1ccc(Br)cc1CNn1c(=S)[nH]nc1-c1ccccc1 ZINC000008493036 570769139 /nfs/dbraw/zinc/76/91/39/570769139.db2.gz JJINNBKVVMXGCI-UHFFFAOYSA-N 0 0 391.294 4.122 40 0 GIABRN C[C@H]1CCCN(C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)C1 ZINC000013672486 570770878 /nfs/dbraw/zinc/77/08/78/570770878.db2.gz YSPPMNMYRIVHOW-SBUREZEXSA-N 0 0 394.540 4.333 40 0 GIABRN CCc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)CC(c1ccc(OC)c(OC)c1)=N2 ZINC000008570208 570771640 /nfs/dbraw/zinc/77/16/40/570771640.db2.gz LAXWNPBYIKXYMI-QGZVFWFLSA-N 0 0 398.413 4.192 40 0 GIABRN COc1ccc(S(=O)(=O)NCCCc2ccc(C)cc2)c(Cl)c1Cl ZINC000013675008 570771691 /nfs/dbraw/zinc/77/16/91/570771691.db2.gz ZYFJHRUZSBAXEU-UHFFFAOYSA-N 0 0 388.316 4.222 40 0 GIABRN CCn1c(SCCCOc2ccccc2C=O)nnc1-c1ccc(OC)cc1 ZINC000008731801 570772101 /nfs/dbraw/zinc/77/21/01/570772101.db2.gz UNCSVUYPIOQODL-UHFFFAOYSA-N 0 0 397.500 4.347 40 0 GIABRN COC(=O)c1ccc(C)c(NS(=O)(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000013683062 570773375 /nfs/dbraw/zinc/77/33/75/570773375.db2.gz HXPZBGWYLKISAB-UHFFFAOYSA-N 0 0 388.272 4.030 40 0 GIABRN CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc4c(c3)OCO4)sc2c1 ZINC000008903208 570773603 /nfs/dbraw/zinc/77/36/03/570773603.db2.gz YODVJSSVWJLAQF-UHFFFAOYSA-N 0 0 398.440 4.234 40 0 GIABRN CCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc2ccccc21 ZINC000013685478 570774210 /nfs/dbraw/zinc/77/42/10/570774210.db2.gz IQFNVAVRVOZJCI-INIZCTEOSA-N 0 0 376.456 4.386 40 0 GIABRN CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713069 570777789 /nfs/dbraw/zinc/77/77/89/570777789.db2.gz ZVUCCTCDHUOOIP-HXUWFJFHSA-N 0 0 388.533 4.302 40 0 GIABRN CC[C@@H](C(=O)Nc1cc(Cl)ccc1C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713345 570778551 /nfs/dbraw/zinc/77/85/51/570778551.db2.gz MKLAWLVVANBWFF-SFHVURJKSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@@H](C(=O)Nc1cc(C)cc(C)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716105 570779252 /nfs/dbraw/zinc/77/92/52/570779252.db2.gz IJHHTVMYOZKBGE-FQEVSTJZSA-N 0 0 388.533 4.104 40 0 GIABRN CC[C@H](C(=O)Nc1cc(C)cc(C)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716103 570779283 /nfs/dbraw/zinc/77/92/83/570779283.db2.gz IJHHTVMYOZKBGE-HXUWFJFHSA-N 0 0 388.533 4.104 40 0 GIABRN O=C(Nc1c(F)cccc1F)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010314238 570787216 /nfs/dbraw/zinc/78/72/16/570787216.db2.gz VFYHQZRRDVEODL-UHFFFAOYSA-N 0 0 388.395 4.018 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)cc1 ZINC000010314534 570787349 /nfs/dbraw/zinc/78/73/49/570787349.db2.gz ZYTBEONDAWWBEV-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccccc3F)ccc2C)cc1 ZINC000010314650 570787723 /nfs/dbraw/zinc/78/77/23/570787723.db2.gz CNEMZUNYOYJAGV-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN COc1ccc([C@@H](C)NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)cc1 ZINC000170564495 570787731 /nfs/dbraw/zinc/78/77/31/570787731.db2.gz PIMNKASMFZHCEX-MRXNPFEDSA-N 0 0 376.460 4.337 40 0 GIABRN CCc1ccccc1NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000010324389 570789275 /nfs/dbraw/zinc/78/92/75/570789275.db2.gz GNWJUBUBNMZRCV-UHFFFAOYSA-N 0 0 388.533 4.051 40 0 GIABRN COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccc(F)cc2)cc1 ZINC000011116925 570794474 /nfs/dbraw/zinc/79/44/74/570794474.db2.gz ONIOOIFYQOKSMF-WOJBJXKFSA-N 0 0 397.475 4.342 40 0 GIABRN CCc1cccc(C)c1NC(=O)CSc1nnc(COc2ccccc2)o1 ZINC000012249404 570804062 /nfs/dbraw/zinc/80/40/62/570804062.db2.gz YURCVHXEIOWUFR-UHFFFAOYSA-N 0 0 383.473 4.250 40 0 GIABRN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccc(F)cc2)cc1 ZINC000013770267 570863745 /nfs/dbraw/zinc/86/37/45/570863745.db2.gz BQFDYFYCLFRASN-FUPPJEDESA-N 0 0 383.463 4.343 40 0 GIABRN Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 ZINC000014002757 570874669 /nfs/dbraw/zinc/87/46/69/570874669.db2.gz CQXWUMXWOMXNJF-UHFFFAOYSA-N 0 0 380.488 4.337 40 0 GIABRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000014002888 570874685 /nfs/dbraw/zinc/87/46/85/570874685.db2.gz CGINOKSWZGCZDC-SFHVURJKSA-N 0 0 380.488 4.417 40 0 GIABRN COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)sc2c1CCCC2 ZINC000014006975 570875160 /nfs/dbraw/zinc/87/51/60/570875160.db2.gz CDQRTLFZCMLGAM-LLVKDONJSA-N 0 0 393.892 4.473 40 0 GIABRN C[C@H]1CC2(CCCCC2)N2c3c(cccc31)[C@@]1(Nc3ccccc3C(=O)N1)C2=O ZINC000014162455 570878533 /nfs/dbraw/zinc/87/85/33/570878533.db2.gz FZDQDTFUJITGAT-OWJWWREXSA-N 0 0 387.483 4.252 40 0 GIABRN Cc1cc(-c2cc(=O)n(Cc3c(F)cccc3F)nc2-c2cccs2)on1 ZINC000072337069 570879843 /nfs/dbraw/zinc/87/98/43/570879843.db2.gz JHVADEPEEXWJGP-UHFFFAOYSA-N 0 0 385.395 4.262 40 0 GIABRN CN(CCCNc1ncc(-c2cnccn2)c(-c2ccco2)n1)c1ccccc1 ZINC000072338704 570879995 /nfs/dbraw/zinc/87/99/95/570879995.db2.gz CKLDUFZVCKNMFA-UHFFFAOYSA-N 0 0 386.459 4.132 40 0 GIABRN O=C(Cc1ccccn1)N1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 ZINC000072357937 570881486 /nfs/dbraw/zinc/88/14/86/570881486.db2.gz FVJFOHNACRCFBG-QFIPXVFZSA-N 0 0 375.447 4.113 40 0 GIABRN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000014397524 570883180 /nfs/dbraw/zinc/88/31/80/570883180.db2.gz ZOYYUFFMIDABJY-OAHLLOKOSA-N 0 0 384.451 4.294 40 0 GIABRN CC[C@H]1[C@H](c2cccc(OC)c2O)c2cc3c(cc2O[C@@H]1N1CCCC1)OCO3 ZINC000073316020 570884503 /nfs/dbraw/zinc/88/45/03/570884503.db2.gz UWMPNVWZHCIJMI-RUGFAHKUSA-N 0 0 397.471 4.102 40 0 GIABRN COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)C2CC2)cc1OC ZINC000014608064 570893521 /nfs/dbraw/zinc/89/35/21/570893521.db2.gz PFUTVRWLRPIWFQ-HXUWFJFHSA-N 0 0 377.444 4.150 40 0 GIABRN CCc1nn2c(nnc3c2C[C@H](c2cccs2)CC3=O)c1-c1ccc(F)cc1 ZINC000014607802 570893759 /nfs/dbraw/zinc/89/37/59/570893759.db2.gz XHHQZXCUAMGRJK-ZDUSSCGKSA-N 0 0 392.459 4.467 40 0 GIABRN CCOC(=O)Cc1ccc(CCCCc2ccc(CC(=O)OCC)cc2)cc1 ZINC000004783225 570897371 /nfs/dbraw/zinc/89/73/71/570897371.db2.gz NYBHSEYULYTOMS-UHFFFAOYSA-N 0 0 382.500 4.463 40 0 GIABRN COc1cc(C=O)ccc1OCCCSc1nnc(Cc2ccccc2)o1 ZINC000015422796 570906380 /nfs/dbraw/zinc/90/63/80/570906380.db2.gz GXRQDUSXQTXNEA-UHFFFAOYSA-N 0 0 384.457 4.043 40 0 GIABRN CC(C)c1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)[nH]n1 ZINC000257336182 570909007 /nfs/dbraw/zinc/90/90/07/570909007.db2.gz YNMGJNOSHWRVGE-HDJSIYSDSA-N 0 0 399.520 4.348 40 0 GIABRN Cc1cc(C)cc(C(=O)NC(=S)N=c2[nH]c3cc(Cl)c(C)cc3s2)c1 ZINC000017079576 570918050 /nfs/dbraw/zinc/91/80/50/570918050.db2.gz CZXSEYFBFRUWMZ-UHFFFAOYSA-N 0 0 389.933 4.424 40 0 GIABRN Cc1ccc(F)cc1NC(=O)Cn1cc(C=O)c2cc(Br)ccc21 ZINC000017079435 570918236 /nfs/dbraw/zinc/91/82/36/570918236.db2.gz ZLZYLFJGPDQMJI-UHFFFAOYSA-N 0 0 389.224 4.303 40 0 GIABRN Nc1cc(NC(=O)c2sc3ccccc3c2Cl)ccc1N1CCOCC1 ZINC000020154084 570930214 /nfs/dbraw/zinc/93/02/14/570930214.db2.gz FCOLAQMXNKIULA-UHFFFAOYSA-N 0 0 387.892 4.226 40 0 GIABRN CC[C@@H](C)C(=O)N1CC2(CCOCC2)c2cc(-c3cnn(CC4CC4)c3)ccc21 ZINC000585105761 570932535 /nfs/dbraw/zinc/93/25/35/570932535.db2.gz JIDGUYPDDRMDLP-QGZVFWFLSA-N 0 0 393.531 4.401 40 0 GIABRN O=C(Nc1ccc2c(c1)C1(CCOCC1)C(=O)N2c1ccsc1)c1cc[nH]c1 ZINC000585106368 570936831 /nfs/dbraw/zinc/93/68/31/570936831.db2.gz IEKOBEZGCOSHGQ-UHFFFAOYSA-N 0 0 393.468 4.055 40 0 GIABRN O=c1[nH]c(-c2ccccc2)nc(-c2ccccc2)c1Cc1cc2c(cc1O)OCC2 ZINC000017020875 570937061 /nfs/dbraw/zinc/93/70/61/570937061.db2.gz SKBJECZLTIIBTN-UHFFFAOYSA-N 0 0 396.446 4.335 40 0 GIABRN O=C(COc1ccccc1)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 ZINC000020411092 570946066 /nfs/dbraw/zinc/94/60/66/570946066.db2.gz QXEMSRJCJYGKFV-UHFFFAOYSA-N 0 0 393.424 4.159 40 0 GIABRN O=C1S/C(=C/c2ccccc2F)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000215181194 570950670 /nfs/dbraw/zinc/95/06/70/570950670.db2.gz KHZUQRYLFGTAOI-OMCISZLKSA-N 0 0 391.807 4.444 40 0 GIABRN O=S(=O)(Nc1c(F)cccc1C(F)(F)F)c1ccc(Br)cc1 ZINC000228953845 570952073 /nfs/dbraw/zinc/95/20/73/570952073.db2.gz HDBLDUWVFNRWBJ-UHFFFAOYSA-N 0 0 398.175 4.408 40 0 GIABRN COc1ccccc1NC(=O)c1sc2nc(C(F)(F)F)cc(C)c2c1N ZINC000003079500 570954407 /nfs/dbraw/zinc/95/44/07/570954407.db2.gz XLMJEVPHHQNZFQ-UHFFFAOYSA-N 0 0 381.379 4.467 40 0 GIABRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000197852716 570960575 /nfs/dbraw/zinc/96/05/75/570960575.db2.gz WFGDQUWSWREEBL-KRWDZBQOSA-N 0 0 383.473 4.318 40 0 GIABRN O=C1S/C(=C/c2ccncc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000214891609 570973694 /nfs/dbraw/zinc/97/36/94/570973694.db2.gz UVKVZSJHCNEAQB-NTEUORMPSA-N 0 0 375.247 4.081 40 0 GIABRN CCc1ccc(OCc2nnc(SCC(=O)Nc3cccc(C)c3)o2)cc1 ZINC000004619661 570986993 /nfs/dbraw/zinc/98/69/93/570986993.db2.gz OLFRUPOTZGDMCD-UHFFFAOYSA-N 0 0 383.473 4.250 40 0 GIABRN O=C(Cc1ccccc1)N1CCC(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000243895616 570988535 /nfs/dbraw/zinc/98/85/35/570988535.db2.gz RRKUZSRRZGEMQH-UHFFFAOYSA-N 0 0 391.298 4.413 40 0 GIABRN COc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)c1 ZINC000244403645 570990178 /nfs/dbraw/zinc/99/01/78/570990178.db2.gz YLUFEBJIIZKRKY-UHFFFAOYSA-N 0 0 386.879 4.148 40 0 GIABRN Brc1ccc2c(NC3CCOCC3)nn([C@@H]3CCCCO3)c2c1 ZINC000089197422 570991445 /nfs/dbraw/zinc/99/14/45/570991445.db2.gz NQOKZLXBBXZSKQ-INIZCTEOSA-N 0 0 380.286 4.089 40 0 GIABRN Fc1c(Br)cc(Br)c(I)c1F ZINC000065356401 571000236 /nfs/dbraw/zinc/00/02/36/571000236.db2.gz OVKOMMGTSZGNEL-UHFFFAOYSA-N 0 0 397.782 4.094 40 0 GIABRN CCOc1cc(CNc2nn[nH]n2)cc(Cl)c1OCc1ccccc1Cl ZINC000004943040 571024661 /nfs/dbraw/zinc/02/46/61/571024661.db2.gz IQCVNORVVFJTGK-UHFFFAOYSA-N 0 0 394.262 4.096 40 0 GIABRN O=C([O-])C1CC[NH+](Cc2c(-c3ccc(F)cc3)nc3ccc(Cl)cn32)CC1 ZINC000002528853 817391930 /nfs/dbraw/zinc/39/19/30/817391930.db2.gz ZMEGQQXHTZDBKM-UHFFFAOYSA-N 0 0 387.842 4.090 40 0 GIABRN COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)CCCC2 ZINC000002559361 817391949 /nfs/dbraw/zinc/39/19/49/817391949.db2.gz ZEWNZUWKGUGEKA-UHFFFAOYSA-N 0 0 388.460 4.284 40 0 GIABRN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)NC1CCCCC1 ZINC000003534521 817480462 /nfs/dbraw/zinc/48/04/62/817480462.db2.gz ZXQIFLQSNGLWTD-UHFFFAOYSA-N 0 0 396.516 4.127 40 0 GIABRN CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1 ZINC000005284109 817568675 /nfs/dbraw/zinc/56/86/75/817568675.db2.gz XYMBABHJTJODGM-LJQANCHMSA-N 0 0 385.508 4.053 40 0 GIABRN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(C(=O)Nc3ccccc3)cc1)C2=O ZINC000005727916 817612471 /nfs/dbraw/zinc/61/24/71/817612471.db2.gz VAZPCPOYUVNZNB-FDDCHVKYSA-N 0 0 376.456 4.255 40 0 GIABRN COc1cc(N2CCCC2)ccc1/C=C1/S/C(=N\C(C)C)N(C(C)C)C1=O ZINC000006324957 817676116 /nfs/dbraw/zinc/67/61/16/817676116.db2.gz ARXASMFDOFCOIF-FOLIBTTPSA-N 0 0 387.549 4.385 40 0 GIABRN CC1CCN(C(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)CC1 ZINC000006348739 817681053 /nfs/dbraw/zinc/68/10/53/817681053.db2.gz KSJGXJRLFIUOHT-HSZRJFAPSA-N 0 0 394.540 4.333 40 0 GIABRN O=C1C[C@@H](c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)n2ncnc2N1 ZINC000006505601 817698672 /nfs/dbraw/zinc/69/86/72/817698672.db2.gz NKYDGXWDUBZSAF-NSHDSACASA-N 0 0 382.729 4.142 40 0 GIABRN CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C1=O ZINC000006630170 817712708 /nfs/dbraw/zinc/71/27/08/817712708.db2.gz WZCBOAHXXUJKAC-OVCLIPMQSA-N 0 0 378.259 4.314 40 0 GIABRN CCOC(=O)C1=C(C)NC(SCc2ccc(OC)cc2)=N[C@@H]1c1ccccc1 ZINC000006665725 817716351 /nfs/dbraw/zinc/71/63/51/817716351.db2.gz OQKKTGCQVWUQOV-HXUWFJFHSA-N 0 0 396.512 4.466 40 0 GIABRN COC(=O)c1ccc2nc(NC(=S)N3CC[C@@H](c4ccccc4)C3)sc2c1 ZINC000006735171 817717388 /nfs/dbraw/zinc/71/73/88/817717388.db2.gz OLCUEXHLWATCJX-OAHLLOKOSA-N 0 0 397.525 4.269 40 0 GIABRN O=c1[nH]c(-c2cc(Br)ccc2O)nc2sc3c(c21)CCCCC3 ZINC000006813483 817718049 /nfs/dbraw/zinc/71/80/49/817718049.db2.gz XDMVHMRHEWXRLZ-UHFFFAOYSA-N 0 0 391.290 4.389 40 0 GIABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc(OCC)c(OC)cc1C ZINC000006844666 817719417 /nfs/dbraw/zinc/71/94/17/817719417.db2.gz PELAPMCFJUUGBZ-SFHVURJKSA-N 0 0 388.489 4.170 40 0 GIABRN O=C(COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1)Nc1ccccc1 ZINC000006890019 817721721 /nfs/dbraw/zinc/72/17/21/817721721.db2.gz USBGYHYEHAGCKI-UHFFFAOYSA-N 0 0 383.403 4.167 40 0 GIABRN CCc1ccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccccc2)cc1 ZINC000006943842 817727841 /nfs/dbraw/zinc/72/78/41/817727841.db2.gz IJRQGPGSVKQCDG-UHFFFAOYSA-N 0 0 394.544 4.361 40 0 GIABRN CCCn1c(CCc2ccccc2)nnc1SCC(=O)N(C(C)C)C(C)C ZINC000006947883 817727958 /nfs/dbraw/zinc/72/79/58/817727958.db2.gz FFQFYZYULBOPTC-UHFFFAOYSA-N 0 0 388.581 4.211 40 0 GIABRN CCOc1cc(C(=S)N2CCCC2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000006960807 817729115 /nfs/dbraw/zinc/72/91/15/817729115.db2.gz QCRIVTZEOCRZPE-UHFFFAOYSA-N 0 0 398.528 4.183 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccccc3C)c2)cc1 ZINC000007109177 817762301 /nfs/dbraw/zinc/76/23/01/817762301.db2.gz BRUMJEPRFKMQEE-UHFFFAOYSA-N 0 0 394.496 4.034 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1C(C)C ZINC000007361037 817823507 /nfs/dbraw/zinc/82/35/07/817823507.db2.gz WJTFMYTYAPGRFT-UHFFFAOYSA-N 0 0 384.295 4.382 40 0 GIABRN CCOc1ccc(S(=O)(=O)Nc2c(CC)cccc2CC)cc1OCC ZINC000007360508 817823842 /nfs/dbraw/zinc/82/38/42/817823842.db2.gz BDROSDROUYDOSA-UHFFFAOYSA-N 0 0 377.506 4.410 40 0 GIABRN COc1ccc(OCc2nnc(SCC(=O)Nc3cc(C)ccc3C)o2)cc1 ZINC000007605035 817878525 /nfs/dbraw/zinc/87/85/25/817878525.db2.gz YCJUNCXWDNHGFD-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cc(C)ccc1C ZINC000007939841 817965209 /nfs/dbraw/zinc/96/52/09/817965209.db2.gz CGDKSPVEMDODAR-UHFFFAOYSA-N 0 0 396.487 4.157 40 0 GIABRN CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(C)cc1C ZINC000007939839 817965229 /nfs/dbraw/zinc/96/52/29/817965229.db2.gz JVSUZINLCRZSKL-UHFFFAOYSA-N 0 0 396.487 4.157 40 0 GIABRN Cc1c(Cl)c(Br)ccc1NC(=O)COC(=O)c1cccs1 ZINC000007939942 817965831 /nfs/dbraw/zinc/96/58/31/817965831.db2.gz PYUACPNUWJRNNQ-UHFFFAOYSA-N 0 0 388.670 4.268 40 0 GIABRN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc3c(c2)OCCO3)S1 ZINC000008277615 818028198 /nfs/dbraw/zinc/02/81/98/818028198.db2.gz BTZANUBDMQOEAD-LICLKQGHSA-N 0 0 386.860 4.311 40 0 GIABRN CC(C)c1ccc(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 ZINC000014630023 818255391 /nfs/dbraw/zinc/25/53/91/818255391.db2.gz NARDLMPVOVXWAN-UHFFFAOYSA-N 0 0 398.375 4.468 40 0 GIABRN Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc(COc2ccccc2)o1 ZINC000015090353 818289187 /nfs/dbraw/zinc/28/91/87/818289187.db2.gz QKAAGPFSFPTSKL-UHFFFAOYSA-N 0 0 398.846 4.189 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3)ccc2C)cc1 ZINC000015344257 818314794 /nfs/dbraw/zinc/31/47/94/818314794.db2.gz ILRCVTCWWSOETE-UHFFFAOYSA-N 0 0 394.496 4.034 40 0 GIABRN Cc1ccc(OCCCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 ZINC000016014376 818384595 /nfs/dbraw/zinc/38/45/95/818384595.db2.gz QCESMPCPRFTKNV-UHFFFAOYSA-N 0 0 380.488 4.419 40 0 GIABRN Cc1ncc(CN2CCO[C@@H](c3ccc(Cc4ccc(C)cc4)cn3)C2)s1 ZINC000019692271 818598884 /nfs/dbraw/zinc/59/88/84/818598884.db2.gz HEELEBPWEVIEAC-JOCHJYFZSA-N 0 0 379.529 4.319 40 0 GIABRN Cc1cc(N2CCO[C@@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)nc(C)n1 ZINC000019692614 818599303 /nfs/dbraw/zinc/59/93/03/818599303.db2.gz INVHHWKZTNFMCU-HXUWFJFHSA-N 0 0 380.879 4.387 40 0 GIABRN O=C(c1ccccc1)N1CCO[C@@H](c2ccc(Cc3ccccc3F)cn2)C1 ZINC000019693005 818599539 /nfs/dbraw/zinc/59/95/39/818599539.db2.gz AQPCUXHOHHQFKQ-JOCHJYFZSA-N 0 0 376.431 4.025 40 0 GIABRN O=C(c1ccccc1)N1CCO[C@H](c2ccc(Cc3ccccc3F)cn2)C1 ZINC000019693004 818599559 /nfs/dbraw/zinc/59/95/59/818599559.db2.gz AQPCUXHOHHQFKQ-QFIPXVFZSA-N 0 0 376.431 4.025 40 0 GIABRN CC(C)C(=O)N1CCC(Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)CC1 ZINC000019700225 818600108 /nfs/dbraw/zinc/60/01/08/818600108.db2.gz INBUOZKKMMFOAV-UHFFFAOYSA-N 0 0 392.543 4.249 40 0 GIABRN CCN(C(=O)c1ccccc1)[C@@H]1CCO[C@H](c2ccc(CN(C)C(C)=O)cc2)C1 ZINC000019712679 818602559 /nfs/dbraw/zinc/60/25/59/818602559.db2.gz WEDOATOGFSIICC-PKTZIBPZSA-N 0 0 394.515 4.047 40 0 GIABRN Fc1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CCc3ccccc3C2)cc1 ZINC000020120927 818614569 /nfs/dbraw/zinc/61/45/69/818614569.db2.gz RFHJPWJXTJBWQI-HSZRJFAPSA-N 0 0 399.473 4.008 40 0 GIABRN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(F)ccc1C ZINC000023552477 818958559 /nfs/dbraw/zinc/95/85/59/818958559.db2.gz IEJODZBYIFLCOX-UHFFFAOYSA-N 0 0 384.480 4.067 40 0 GIABRN CCOC(=O)C1=C(C)NC(SCC#N)=N[C@H]1c1cccc(Cl)c1Cl ZINC000033771960 821060014 /nfs/dbraw/zinc/06/00/14/821060014.db2.gz YKFRYEROJFWKHH-AWEZNQCLSA-N 0 0 384.288 4.088 40 0 GIABRN Cc1sc(NC(=O)CSc2nc(C)cc(C)n2)nc1-c1ccc(F)cc1 ZINC000047080963 822543201 /nfs/dbraw/zinc/54/32/01/822543201.db2.gz LAWLOPYUJRDZDF-UHFFFAOYSA-N 0 0 388.493 4.395 40 0 GIABRN CC(C)C(=O)Nc1ccc(Cn2cnc(C(=O)Nc3ccc(F)cc3F)c2)cc1 ZINC000049421906 822700635 /nfs/dbraw/zinc/70/06/35/822700635.db2.gz ISZMTOHHEKSNKO-UHFFFAOYSA-N 0 0 398.413 4.056 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000001438902 230822378 /nfs/dbraw/zinc/82/23/78/230822378.db2.gz IRAVPTZXTIXEMW-UHFFFAOYSA-N 0 0 380.469 4.072 40 0 GIABRN C[C@H](O)c1ccc(-c2ccc(CNn3c(-c4ccncc4)n[nH]c3=S)o2)cc1 ZINC000008534143 230865294 /nfs/dbraw/zinc/86/52/94/230865294.db2.gz ZQQALTPOOSZINZ-ZDUSSCGKSA-N 0 0 393.472 4.060 40 0 GIABRN O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000013990911 230886599 /nfs/dbraw/zinc/88/65/99/230886599.db2.gz QEUHFRYEDNVZHP-NTCAYCPXSA-N 0 0 388.442 4.450 40 0 GIABRN Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)CC1=O ZINC000103718956 231014693 /nfs/dbraw/zinc/01/46/93/231014693.db2.gz IZLNIWZOKJOTPQ-LLVKDONJSA-N 0 0 381.234 4.433 40 0 GIABRN O=C(CSCc1cccc(Cl)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000104723810 231016055 /nfs/dbraw/zinc/01/60/55/231016055.db2.gz JRACVGRSNNHQIA-UHFFFAOYSA-N 0 0 378.900 4.061 40 0 GIABRN Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)c1 ZINC000408544665 231055777 /nfs/dbraw/zinc/05/57/77/231055777.db2.gz IJZAZCYLJGDXRO-KRWDZBQOSA-N 0 0 388.533 4.220 40 0 GIABRN Cc1ccc(C(=O)N2CCCc3ccccc32)c(I)c1 ZINC000225023853 231033195 /nfs/dbraw/zinc/03/31/95/231033195.db2.gz IDSHKSYBLPSKNQ-UHFFFAOYSA-N 0 0 377.225 4.193 40 0 GIABRN Cc1csc2[nH]c(SCC(=O)Nc3ccccc3C(F)(F)F)nc(=O)c12 ZINC000408597849 231073926 /nfs/dbraw/zinc/07/39/26/231073926.db2.gz KVBGNUSGMFKLFD-UHFFFAOYSA-N 0 0 399.419 4.455 40 0 GIABRN CCn1c2ccccc2nc1SCC(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000408692973 231095661 /nfs/dbraw/zinc/09/56/61/231095661.db2.gz ZVZZAQJEFOYMQV-UHFFFAOYSA-N 0 0 397.500 4.352 40 0 GIABRN Cc1cccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c1C ZINC000408704321 231099055 /nfs/dbraw/zinc/09/90/55/231099055.db2.gz LWLIYTIAWOBZMK-UHFFFAOYSA-N 0 0 394.496 4.384 40 0 GIABRN O=C(NC1CC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408703381 231099199 /nfs/dbraw/zinc/09/91/99/231099199.db2.gz FOJRGBJZDDIHRI-FQEVSTJZSA-N 0 0 386.904 4.006 40 0 GIABRN Cc1cc(C)cc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c1 ZINC000408704653 231099567 /nfs/dbraw/zinc/09/95/67/231099567.db2.gz QYNZBWQTLSBMAR-UHFFFAOYSA-N 0 0 394.496 4.384 40 0 GIABRN Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3N3CCC(C)CC3)CC2=O)c1 ZINC000408707375 231100779 /nfs/dbraw/zinc/10/07/79/231100779.db2.gz JPOUTBZGIGHURK-LJQANCHMSA-N 0 0 391.515 4.223 40 0 GIABRN Cc1c(Cl)cccc1N1C[C@H](C(=O)NCc2ccc(C(C)C)cc2)CC1=O ZINC000408707135 231101037 /nfs/dbraw/zinc/10/10/37/231101037.db2.gz HCYQMKBWVFIWTH-GOSISDBHSA-N 0 0 384.907 4.441 40 0 GIABRN C[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccccc1 ZINC000408707930 231101062 /nfs/dbraw/zinc/10/10/62/231101062.db2.gz MRIDIMUDIMYUOE-HIFRSBDPSA-N 0 0 391.298 4.266 40 0 GIABRN Cc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1C(=O)N1CCCCC1 ZINC000408620298 231082978 /nfs/dbraw/zinc/08/29/78/231082978.db2.gz JBOGCQZYUPNJJF-UHFFFAOYSA-N 0 0 392.565 4.012 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)c1C ZINC000408623571 231085338 /nfs/dbraw/zinc/08/53/38/231085338.db2.gz PBNSXPVNXFNQAK-UHFFFAOYSA-N 0 0 386.517 4.039 40 0 GIABRN Cc1ccc(C2=N/C(=C/c3ccccc3OC(=O)Cc3ccccc3)C(=O)O2)cc1 ZINC000408843512 231120807 /nfs/dbraw/zinc/12/08/07/231120807.db2.gz NKYBVRXQQXKJFY-LTGZKZEYSA-N 0 0 397.430 4.488 40 0 GIABRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(Br)o2)S1 ZINC000408803090 231115553 /nfs/dbraw/zinc/11/55/53/231115553.db2.gz LEGUTMZKNXIPAZ-UHFFFAOYSA-N 0 0 394.270 4.122 40 0 GIABRN C[C@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000408998569 231144377 /nfs/dbraw/zinc/14/43/77/231144377.db2.gz MFLSJRSBHMUMTP-NYVOZVTQSA-N 0 0 394.515 4.219 40 0 GIABRN O=C(CN1C(=O)S/C(=C/c2ccccc2F)C1=O)Nc1cccc(Cl)c1 ZINC000409158351 231172754 /nfs/dbraw/zinc/17/27/54/231172754.db2.gz XEWZNMDSJNNPEE-OVCLIPMQSA-N 0 0 390.823 4.154 40 0 GIABRN Cc1ccc(F)cc1NC(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 ZINC000409182732 231176604 /nfs/dbraw/zinc/17/66/04/231176604.db2.gz OUIVUSDFSRUMIM-UHFFFAOYSA-N 0 0 381.359 4.002 40 0 GIABRN O=C1N/C(=C/c2cccc(OCc3ccccc3)c2)C(=O)N1Cc1ccccc1 ZINC000409206816 231180689 /nfs/dbraw/zinc/18/06/89/231180689.db2.gz LRVCANLYFFQORA-PXLXIMEGSA-N 0 0 384.435 4.359 40 0 GIABRN Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)s1 ZINC000409229795 231184558 /nfs/dbraw/zinc/18/45/58/231184558.db2.gz VDDPRHFDBUXSHD-RIYZIHGNSA-N 0 0 392.889 4.385 40 0 GIABRN Cc1cccc(CN2C(=O)S/C(=C/c3cc4ccccc4oc3=O)C2=O)c1 ZINC000409319588 231190310 /nfs/dbraw/zinc/19/03/10/231190310.db2.gz IVZLGNPBDOZRAD-WOJGMQOQSA-N 0 0 377.421 4.338 40 0 GIABRN Cc1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)n2C)cc1 ZINC000409342091 231192572 /nfs/dbraw/zinc/19/25/72/231192572.db2.gz BVCDXZRRTPWPPC-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)c1 ZINC000409380458 231198136 /nfs/dbraw/zinc/19/81/36/231198136.db2.gz DVGMRURKMBGWRF-KRWDZBQOSA-N 0 0 396.512 4.250 40 0 GIABRN COc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000409384374 231198390 /nfs/dbraw/zinc/19/83/90/231198390.db2.gz AODPMYXVHLWFGA-UHFFFAOYSA-N 0 0 383.448 4.331 40 0 GIABRN CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(OC)cc1 ZINC000409126728 529509430 /nfs/dbraw/zinc/50/94/30/529509430.db2.gz BVEIFWSJXKMVQH-UHFFFAOYSA-N 0 0 378.266 4.346 40 0 GIABRN CCc1ccccc1NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O ZINC000408704858 529591394 /nfs/dbraw/zinc/59/13/94/529591394.db2.gz UNEGEZGXNQOBGV-UHFFFAOYSA-N 0 0 394.496 4.330 40 0 GIABRN CCc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)cc1 ZINC000409330282 529584919 /nfs/dbraw/zinc/58/49/19/529584919.db2.gz KOIHNNRBGGDBMB-UYRXBGFRSA-N 0 0 394.496 4.486 40 0 GIABRN CCc1ccccc1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC=C[C@H](C)[C@H]2C1=O ZINC000408668705 529600625 /nfs/dbraw/zinc/60/06/25/529600625.db2.gz DVLLDIZOMGJSFG-RRMPHLOHSA-N 0 0 388.467 4.203 40 0 GIABRN CCc1ccc(C2=NN(C(=O)c3cccc(C)c3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000409089591 529619083 /nfs/dbraw/zinc/61/90/83/529619083.db2.gz OFGZSERYFAGMAE-IBGZPJMESA-N 0 0 376.378 4.059 40 0 GIABRN CCc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(C)c(C)c2)cc1 ZINC000409092490 529676526 /nfs/dbraw/zinc/67/65/26/529676526.db2.gz YZJYWHXNIFHIRF-UHFFFAOYSA-N 0 0 380.517 4.486 40 0 GIABRN COc1ccc([C@@H]2N=C(SC)NC(C)=C2C(=O)Nc2ccccc2C)cc1 ZINC000006861080 209129120 /nfs/dbraw/zinc/12/91/20/209129120.db2.gz HHOPPGKYQRYTHS-IBGZPJMESA-N 0 0 381.501 4.280 40 0 GIABRN CCn1cc(CN(C)C(=O)c2ccccc2COc2ccc(F)cc2F)c(C)n1 ZINC000002788254 209116589 /nfs/dbraw/zinc/11/65/89/209116589.db2.gz ZZBIKUAVZIFUOK-UHFFFAOYSA-N 0 0 399.441 4.341 40 0 GIABRN CSc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1 ZINC000002759595 209116611 /nfs/dbraw/zinc/11/66/11/209116611.db2.gz UAPZRSSVVXRFGN-RGEXLXHISA-N 0 0 378.453 4.411 40 0 GIABRN COc1ccc(OCC(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1 ZINC000072230072 209111377 /nfs/dbraw/zinc/11/13/77/209111377.db2.gz XRSFHICUZNCWCO-QFIPXVFZSA-N 0 0 397.858 4.448 40 0 GIABRN CC(C)CC(=O)N1Cc2cn(Cc3ccccn3)nc2-c2ccn(C(C)C)c2C1 ZINC000306145039 209108013 /nfs/dbraw/zinc/10/80/13/209108013.db2.gz ZVXPUHXJRCVQIL-UHFFFAOYSA-N 0 0 391.519 4.264 40 0 GIABRN Cc1c2oc(-c3cccnc3)nc2c(Br)c(N)c1Br ZINC000020343603 206226286 /nfs/dbraw/zinc/22/62/86/206226286.db2.gz FQOOLJLZTAHTTI-UHFFFAOYSA-N 0 0 383.043 4.305 40 0 GIABRN COc1ccc(Cl)cc1Nc1cc(-c2cccnc2)nc(NC2CCCC2)n1 ZINC000329046113 206243290 /nfs/dbraw/zinc/24/32/90/206243290.db2.gz UACVRDZFZYGTNK-UHFFFAOYSA-N 0 0 395.894 4.143 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2ccccc2C(F)(F)F)cc(-c2cccnc2)n1 ZINC000329060815 206244283 /nfs/dbraw/zinc/24/42/83/206244283.db2.gz WNZNPYNWLCTEAY-CYBMUJFWSA-N 0 0 387.409 4.355 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(Nc2c(Cl)cccc2Cl)cc(C2CC2)n1 ZINC000329025646 206240782 /nfs/dbraw/zinc/24/07/82/206240782.db2.gz PHGALWJWKINYCC-HNNXBMFYSA-N 0 0 381.307 4.255 40 0 GIABRN Cc1ccc(Nc2cc(-c3ccccn3)nc(N[C@H](CO)C(C)C)n2)cc1Cl ZINC000329016013 206240928 /nfs/dbraw/zinc/24/09/28/206240928.db2.gz NFDZYPIQMGKRKY-LJQANCHMSA-N 0 0 397.910 4.095 40 0 GIABRN COC(=O)c1ccc(Nc2cc(C(F)(F)F)nc(NC3CCCCC3)n2)cc1 ZINC000329028612 206241389 /nfs/dbraw/zinc/24/13/89/206241389.db2.gz PWBGKPXCKQYCKI-UHFFFAOYSA-N 0 0 394.397 4.192 40 0 GIABRN Cc1c(F)cccc1Nc1cc(-c2ccccc2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329007728 206241395 /nfs/dbraw/zinc/24/13/95/206241395.db2.gz LNODMLNKCTWCBX-FQEVSTJZSA-N 0 0 380.467 4.185 40 0 GIABRN CCNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccncc2)n1 ZINC000329044861 206242399 /nfs/dbraw/zinc/24/23/99/206242399.db2.gz SYMCSGKAFAJOES-UHFFFAOYSA-N 0 0 393.800 4.230 40 0 GIABRN Clc1ccc(NN=c2cc(-c3cccnc3)nc(NC3CC3)[nH]2)c(Cl)c1 ZINC000329047182 206242459 /nfs/dbraw/zinc/24/24/59/206242459.db2.gz UFGHZSPCDDIWQL-UHFFFAOYSA-N 0 0 387.274 4.281 40 0 GIABRN Cc1ccc(NC(=O)NC(=C(Cl)Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000032617740 206256951 /nfs/dbraw/zinc/25/69/51/206256951.db2.gz RSQXYHSKECTAHS-UHFFFAOYSA-N 0 0 385.272 4.195 40 0 GIABRN COC(=O)c1ccc(OCCOc2ccc(C(=O)OC)cc2Cl)c(Cl)c1 ZINC000005997516 206250791 /nfs/dbraw/zinc/25/07/91/206250791.db2.gz MMRCXPIWRDKMHH-UHFFFAOYSA-N 0 0 399.226 4.024 40 0 GIABRN CCOc1ccccc1NC(=O)Nc1cc(C)cn(Cc2ccccc2F)c1=O ZINC000005000856 206261802 /nfs/dbraw/zinc/26/18/02/206261802.db2.gz OGKASOYUFSFCGD-UHFFFAOYSA-N 0 0 395.434 4.387 40 0 GIABRN COc1cc2nc(-c3cccc(-n4cnnc4)c3C)oc2c(Br)c1 ZINC000045920667 206264292 /nfs/dbraw/zinc/26/42/92/206264292.db2.gz WWXFFFJFNVDAPC-UHFFFAOYSA-N 0 0 385.221 4.155 40 0 GIABRN Cc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccco1 ZINC000045890627 206263172 /nfs/dbraw/zinc/26/31/72/206263172.db2.gz CLTJPNGDAUPOKE-UHFFFAOYSA-N 0 0 388.059 4.256 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc2c(ncn2C(C)C)c(Nc2cccc(Cl)c2)n1 ZINC000000582580 206308160 /nfs/dbraw/zinc/30/81/60/206308160.db2.gz PMXCMJLOPOFPBT-OAHLLOKOSA-N 0 0 388.903 4.233 40 0 in-vivo GIABRN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000000866618 206328709 /nfs/dbraw/zinc/32/87/09/206328709.db2.gz KCUOVSVFHCHFRE-ZCOIRKDISA-N 0 0 393.486 4.295 40 0 GIABRN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]12 ZINC000000866620 206329687 /nfs/dbraw/zinc/32/96/87/206329687.db2.gz KCUOVSVFHCHFRE-AYIBLLACSA-N 0 0 393.486 4.295 40 0 GIABRN CCOc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)no3)C2)cc1 ZINC000001364358 206375176 /nfs/dbraw/zinc/37/51/76/206375176.db2.gz IKWFKSPKMBMLPK-OAHLLOKOSA-N 0 0 383.473 4.217 40 0 GIABRN O=S(=O)(CCc1nc2ccccc2s1)CCc1nc2ccccc2s1 ZINC000001454321 206383115 /nfs/dbraw/zinc/38/31/15/206383115.db2.gz BRVYFPUJNVMSBD-UHFFFAOYSA-N 0 0 388.539 4.106 40 0 GIABRN Cc1cccc(Nc2nc(O)c(CC(=O)Nc3ccc(Cl)cc3C)s2)c1 ZINC000001622437 206386589 /nfs/dbraw/zinc/38/65/89/206386589.db2.gz PEQYMJRUUIXUPT-MRXNPFEDSA-N 0 0 387.892 4.396 40 0 GIABRN O=C1c2ccccc2-c2ccccc2C(=O)C1(Br)Br ZINC000001620169 206387428 /nfs/dbraw/zinc/38/74/28/206387428.db2.gz INTRKBKDQDYPHE-UHFFFAOYSA-N 0 0 380.035 4.219 40 0 GIABRN CCOC(=O)c1c(C)c(Cl)[nH]c1/C=C1\N=C(Cl)C(C)=C1C(=O)OCC ZINC000001595866 206387697 /nfs/dbraw/zinc/38/76/97/206387697.db2.gz WZORZTRCOMWTBQ-XFFZJAGNSA-N 0 0 385.247 4.025 40 0 GIABRN CC(C)OC(=O)c1ccc(CCc2cc(O)c(Br)cc2O)cc1 ZINC000001650091 206388256 /nfs/dbraw/zinc/38/82/56/206388256.db2.gz GFVHZJCQHKYGMC-UHFFFAOYSA-N 0 0 379.250 4.211 40 0 GIABRN O=[N+]([O-])/C(Br)=C(C(=C\c1ccccc1)\[N+](=O)[O-])/c1ccccc1 ZINC000001721758 206390475 /nfs/dbraw/zinc/39/04/75/206390475.db2.gz AMJSDWFVTLSWMP-ZYZFYNRMSA-N 0 0 375.178 4.345 40 0 GIABRN COc1cc2c(cc1OC)[C@H](OC)N(C)c1c-2ccc2cc3c(cc21)OCO3 ZINC000001728702 206390479 /nfs/dbraw/zinc/39/04/79/206390479.db2.gz SZEOMBMBHCBJJE-QFIPXVFZSA-N 0 0 379.412 4.348 40 0 GIABRN Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1N1CCCCS1(=O)=O ZINC000005439700 206612674 /nfs/dbraw/zinc/61/26/74/206612674.db2.gz APFYONWJERBVPW-UHFFFAOYSA-N 0 0 386.517 4.301 40 0 GIABRN CC1CCN(C(=O)CSc2nnc3c(n2)-c2cccc4cccc-3c24)CC1 ZINC000035289537 206627787 /nfs/dbraw/zinc/62/77/87/206627787.db2.gz JGQTVJYQNQAPFL-UHFFFAOYSA-N 0 0 376.485 4.023 40 0 GIABRN CCN(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000006139103 206641195 /nfs/dbraw/zinc/64/11/95/206641195.db2.gz UHWCFACQYSXRBI-UHFFFAOYSA-N 0 0 396.512 4.106 40 0 GIABRN Cn1c(C(=O)O[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc2occc21 ZINC000035315782 206641432 /nfs/dbraw/zinc/64/14/32/206641432.db2.gz MHWAOJSUKVKXID-FQEVSTJZSA-N 0 0 380.444 4.118 40 0 GIABRN CCOc1cccc(C(=O)Nc2ccc(-c3nn4c(CC)nnc4s3)cc2)c1 ZINC000006169070 206642214 /nfs/dbraw/zinc/64/22/14/206642214.db2.gz XHZRBKILBWZLCV-UHFFFAOYSA-N 0 0 393.472 4.066 40 0 GIABRN CC(C)C[C@@H](NC(=O)C1C2CC3CC(C2)CC1C3)c1nc2cccnc2n1C ZINC000012114070 206856875 /nfs/dbraw/zinc/85/68/75/206856875.db2.gz HMELAZWFBHLCJS-KAPMFFAGSA-N 0 0 380.536 4.244 40 0 GIABRN Cc1ccccc1[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1)c1ccncc1 ZINC000012148510 206863120 /nfs/dbraw/zinc/86/31/20/206863120.db2.gz IEGXGXANOYSAKG-QFIPXVFZSA-N 0 0 386.430 4.234 40 0 GIABRN Cc1oc2ncn3nc([C@H](NC(=O)[C@@H](C)c4ccccc4)C(C)C)nc3c2c1C ZINC000012236119 206874057 /nfs/dbraw/zinc/87/40/57/206874057.db2.gz VEZJQMNNPSBMEP-KBXCAEBGSA-N 0 0 391.475 4.104 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cc1Cl ZINC000013668034 206986834 /nfs/dbraw/zinc/98/68/34/206986834.db2.gz JOVCEGZWMNQEDB-UHFFFAOYSA-N 0 0 381.881 4.471 40 0 GIABRN COC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2Cl)sc2c1CCCC2 ZINC000013709905 206992278 /nfs/dbraw/zinc/99/22/78/206992278.db2.gz SNTXIBRRDWQQHL-NSHDSACASA-N 0 0 393.892 4.473 40 0 GIABRN CCc1ccc(NC(=O)[C@@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000013716215 206993038 /nfs/dbraw/zinc/99/30/38/206993038.db2.gz AYLSUNPXLKMDGK-HXUWFJFHSA-N 0 0 388.533 4.049 40 0 GIABRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(I)cc1 ZINC000014022405 207008577 /nfs/dbraw/zinc/00/85/77/207008577.db2.gz WKFHLGDFBORILP-INIZCTEOSA-N 0 0 395.240 4.396 40 0 GIABRN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cc(C4CC4)nn3C)c12 ZINC000036613700 207048676 /nfs/dbraw/zinc/04/86/76/207048676.db2.gz YBEFHZOWEVIZCJ-UHFFFAOYSA-N 0 0 391.406 4.201 40 0 GIABRN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)ccc21 ZINC000015243321 207049989 /nfs/dbraw/zinc/04/99/89/207049989.db2.gz KHCIDBDGKFHICE-UHFFFAOYSA-N 0 0 399.299 4.093 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3ccccc3)c2)cc1 ZINC000015343956 207050306 /nfs/dbraw/zinc/05/03/06/207050306.db2.gz JGOGYYGHCPMIQR-UHFFFAOYSA-N 0 0 394.496 4.068 40 0 GIABRN COc1ccc(C(=O)NC(=S)N(Cc2ccccc2)c2ccccc2)cc1 ZINC000036621776 207052000 /nfs/dbraw/zinc/05/20/00/207052000.db2.gz RGFDYLMGMWROPH-UHFFFAOYSA-N 0 0 376.481 4.417 40 0 GIABRN COc1ccc(OCCNC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000015615471 207052750 /nfs/dbraw/zinc/05/27/50/207052750.db2.gz OFXZBLLGTFCVCK-UHFFFAOYSA-N 0 0 377.440 4.083 40 0 GIABRN Cc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000015992667 207070443 /nfs/dbraw/zinc/07/04/43/207070443.db2.gz DBHHGZVGBIWPJR-UHFFFAOYSA-N 0 0 386.517 4.120 40 0 GIABRN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)c1ccc(F)cc1 ZINC000016789296 207078683 /nfs/dbraw/zinc/07/86/83/207078683.db2.gz NPXIUOOIQVWQNN-UHFFFAOYSA-N 0 0 385.464 4.300 40 0 GIABRN CCc1nc2c(n1C(C)=O)SC(c1ccc(Cl)c(Cl)c1)=NN2C(C)=O ZINC000016777694 207079375 /nfs/dbraw/zinc/07/93/75/207079375.db2.gz MCRUOULZHGJTBZ-UHFFFAOYSA-N 0 0 397.287 4.233 40 0 GIABRN Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000017886764 207091096 /nfs/dbraw/zinc/09/10/96/207091096.db2.gz LDVDUVVKRUVWQU-ZCNNSNEGSA-N 0 0 390.464 4.108 40 0 GIABRN COc1ccccc1[C@H](C)NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000017970432 207091378 /nfs/dbraw/zinc/09/13/78/207091378.db2.gz QRULHYKRLXJDMG-STQMWFEESA-N 0 0 378.266 4.102 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C(=O)C[C@H]1C=CCC1 ZINC000019017479 207099155 /nfs/dbraw/zinc/09/91/55/207099155.db2.gz VXCLCHTYQUNVEK-IVDSKFSHSA-N 0 0 398.522 4.268 40 0 GIABRN CC(=O)N1CCC[C@H](c2cc(Nc3cccc(F)c3)nc(-c3cccnc3)n2)C1 ZINC000019017015 207099623 /nfs/dbraw/zinc/09/96/23/207099623.db2.gz HNNOTFXNESEPLQ-KRWDZBQOSA-N 0 0 391.450 4.147 40 0 GIABRN COc1ccc(CN2CCCC[C@H]2c2[nH]ncc2-c2cc(C)no2)c(OC)c1 ZINC000019120923 207102333 /nfs/dbraw/zinc/10/23/33/207102333.db2.gz QGYXYODTHHMKBX-SFHVURJKSA-N 0 0 382.464 4.118 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)on1 ZINC000019121834 207104861 /nfs/dbraw/zinc/10/48/61/207104861.db2.gz VDLJVWNBFFGNDP-LJQANCHMSA-N 0 0 394.450 4.184 40 0 GIABRN Cc1ccc([C@@H]2CCCN2C(=O)CCCc2nc(-c3ccccn3)no2)cc1C ZINC000019213752 207107024 /nfs/dbraw/zinc/10/70/24/207107024.db2.gz PEYHTPZLINCMAX-FQEVSTJZSA-N 0 0 390.487 4.435 40 0 GIABRN Cc1ccc2c(CC(=O)N3CCC[C@H]3c3nnc(-c4ccccn4)o3)coc2c1 ZINC000019221623 207107291 /nfs/dbraw/zinc/10/72/91/207107291.db2.gz GGGIZANNZQBKJC-SFHVURJKSA-N 0 0 388.427 4.092 40 0 GIABRN Cc1ccc([C@H](Cc2ccsc2)NCc2cnn3c2nc(C)cc3C)nc1 ZINC000019215652 207107520 /nfs/dbraw/zinc/10/75/20/207107520.db2.gz XIAXWZDTRLMRJY-FQEVSTJZSA-N 0 0 377.517 4.185 40 0 GIABRN Cc1ccc(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)cc1-n1cccn1 ZINC000019214764 207107845 /nfs/dbraw/zinc/10/78/45/207107845.db2.gz UUZLIACMPFNIJB-IBGZPJMESA-N 0 0 391.471 4.381 40 0 GIABRN Cc1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2Cl)cn1 ZINC000019214928 207108400 /nfs/dbraw/zinc/10/84/00/207108400.db2.gz QBQRFBIMCBQJMK-IBGZPJMESA-N 0 0 380.879 4.096 40 0 GIABRN COc1cc2c(cc1CN[C@H](Cc1ccsc1)c1nc(C)cs1)OCO2 ZINC000019240220 207111387 /nfs/dbraw/zinc/11/13/87/207111387.db2.gz ZYUQDNTYKZTYFN-OAHLLOKOSA-N 0 0 388.514 4.324 40 0 GIABRN Cc1ccccc1OC[C@H]1CCCN(C(=O)c2cccc(Cn3cccn3)c2)C1 ZINC000019237369 207111855 /nfs/dbraw/zinc/11/18/55/207111855.db2.gz BLHSGKGDXYXNIO-NRFANRHFSA-N 0 0 389.499 4.171 40 0 GIABRN Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 ZINC000019286832 207112544 /nfs/dbraw/zinc/11/25/44/207112544.db2.gz FNKWIMCJQXUNBE-SFHVURJKSA-N 0 0 376.435 4.006 40 0 GIABRN O=C(C1CC1)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 ZINC000019373059 207120732 /nfs/dbraw/zinc/12/07/32/207120732.db2.gz AWGHXHXCDXIAHJ-LJQANCHMSA-N 0 0 399.498 4.398 40 0 GIABRN COc1ccc2c(cc(C(=O)N3CCC[C@H](c4cc5ncccc5[nH]4)C3)n2C)c1 ZINC000019289745 207113355 /nfs/dbraw/zinc/11/33/55/207113355.db2.gz ZOMQBYPKVDYYFL-HNNXBMFYSA-N 0 0 388.471 4.083 40 0 GIABRN O=C(Cn1cc(C(=O)c2ccc(F)cc2)c2ccnc(Cl)c21)N1CCCCC1 ZINC000019332257 207116340 /nfs/dbraw/zinc/11/63/40/207116340.db2.gz NBFGGZLARCWPBH-UHFFFAOYSA-N 0 0 399.853 4.072 40 0 GIABRN O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@@H](c2cc3ncccc3[nH]2)C1 ZINC000019345295 207116393 /nfs/dbraw/zinc/11/63/93/207116393.db2.gz ARWVJYQNHMNLTM-OAHLLOKOSA-N 0 0 390.418 4.377 40 0 GIABRN O=C(NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)C1CCCC1 ZINC000019340460 207116955 /nfs/dbraw/zinc/11/69/55/207116955.db2.gz KNTOZDCONXSJKE-UHFFFAOYSA-N 0 0 378.451 4.058 40 0 GIABRN O=C(Nc1ncc(Cc2ccccc2F)s1)c1ccccc1Cn1ccnc1 ZINC000019349681 207117685 /nfs/dbraw/zinc/11/76/85/207117685.db2.gz NBFPQSJHDPQDMY-UHFFFAOYSA-N 0 0 392.459 4.370 40 0 GIABRN COc1ccc2[nH]c3c(c2c1)CCN1[C@@H](c2sccc2C)N2CCC31CC2 ZINC000019238561 207110772 /nfs/dbraw/zinc/11/07/72/207110772.db2.gz LJTOIYKODCVLMF-NRFANRHFSA-N 0 0 379.529 4.408 40 0 GIABRN Cc1cnccc1CN1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 ZINC000019239521 207110824 /nfs/dbraw/zinc/11/08/24/207110824.db2.gz CUPZPZRGENLJQK-KBRIMQKVSA-N 0 0 379.430 4.231 40 0 GIABRN COc1ccc(-c2ccc(OC)cc2C(=O)N[C@H](C)Cc2ccccn2)cc1 ZINC000019457072 207123404 /nfs/dbraw/zinc/12/34/04/207123404.db2.gz WKAIHJNVMWVOCO-MRXNPFEDSA-N 0 0 376.456 4.127 40 0 GIABRN COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@H](C)Cn2cnc3ccccc32)c1 ZINC000019457713 207124073 /nfs/dbraw/zinc/12/40/73/207124073.db2.gz FUTNVMGBVUQSFZ-OXQOHEQNSA-N 0 0 393.487 4.053 40 0 GIABRN CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)CC)C1 ZINC000019498619 207125346 /nfs/dbraw/zinc/12/53/46/207125346.db2.gz XHFRCSKXCRNFFS-JOCHJYFZSA-N 0 0 384.545 4.113 40 0 GIABRN CCC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2F)(C(=O)NC(C)C)C1 ZINC000019498470 207125684 /nfs/dbraw/zinc/12/56/84/207125684.db2.gz IUELVBHXJOKYPI-DEOSSOPVSA-N 0 0 396.506 4.189 40 0 GIABRN CCCC(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 ZINC000019501264 207126704 /nfs/dbraw/zinc/12/67/04/207126704.db2.gz UKGQYHCJELMLQX-QLFBSQMISA-N 0 0 382.499 4.210 40 0 GIABRN CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3Cc3ccccn3)cc2n1 ZINC000019522346 207126796 /nfs/dbraw/zinc/12/67/96/207126796.db2.gz QOYRKMIFPHOGQI-MRXNPFEDSA-N 0 0 375.398 4.043 40 0 GIABRN CCc1cc(C(=O)N2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)on1 ZINC000019522728 207128249 /nfs/dbraw/zinc/12/82/49/207128249.db2.gz XOUJKTHXYWQJAQ-LLVKDONJSA-N 0 0 390.390 4.039 40 0 GIABRN CCn1c2ccccc2nc1CN(CCCn1ccnc1)Cc1ccccc1F ZINC000019524289 207129108 /nfs/dbraw/zinc/12/91/08/207129108.db2.gz DPSKUUVYXSZDST-UHFFFAOYSA-N 0 0 391.494 4.484 40 0 GIABRN CNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)CC(C)C)C1 ZINC000019446327 207121759 /nfs/dbraw/zinc/12/17/59/207121759.db2.gz VSYIHTHVOPVKNV-HSZRJFAPSA-N 0 0 398.572 4.359 40 0 GIABRN COc1ccccc1[C@@H](NC(=O)c1ccc(C(C)C)[nH]c1=O)c1ccccc1 ZINC000019453117 207121877 /nfs/dbraw/zinc/12/18/77/207121877.db2.gz MMYXCIIZOMWZLF-NRFANRHFSA-N 0 0 376.456 4.026 40 0 GIABRN CC(C)CC(=O)N1CCC[C@](Cc2cccc(-c3cccc(F)c3)c2)(C(N)=O)C1 ZINC000019446313 207122384 /nfs/dbraw/zinc/12/23/84/207122384.db2.gz PQCSPNWEPFZNOH-XMMPIXPASA-N 0 0 396.506 4.175 40 0 GIABRN CC(C)c1nccn1-c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)cc1 ZINC000019454505 207122906 /nfs/dbraw/zinc/12/29/06/207122906.db2.gz HCSPMGGXIDYISD-OAHLLOKOSA-N 0 0 393.443 4.130 40 0 GIABRN COc1ccc2[nH]cc(C(=O)N3CCC[C@@H]3c3ccc(OC)cc3OC)c2c1 ZINC000019563159 207135288 /nfs/dbraw/zinc/13/52/88/207135288.db2.gz AQDIEGZLCBQWCO-HXUWFJFHSA-N 0 0 380.444 4.171 40 0 GIABRN COc1ccc(CC(=O)N2CCCC[C@H]2c2n[nH]cc2-c2ccncc2)cc1C ZINC000019571155 207137190 /nfs/dbraw/zinc/13/71/90/207137190.db2.gz FEDXMYDHFPECMJ-FQEVSTJZSA-N 0 0 390.487 4.085 40 0 GIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NC(=O)CCCn2nc(C)cc2C)cc1 ZINC000019574201 207138372 /nfs/dbraw/zinc/13/83/72/207138372.db2.gz CGECFXGJBPSPQG-KJBBBAAKSA-N 0 0 395.547 4.377 40 0 GIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)c2cccnc2C)cc1OC ZINC000019582973 207139237 /nfs/dbraw/zinc/13/92/37/207139237.db2.gz PLDQHPZOMUYTMV-UBBRYJJRSA-N 0 0 380.488 4.109 40 0 GIABRN Cc1noc(-c2cn[nH]c2[C@@H]2CCCN2C(=O)Cc2cccc(Cl)c2)c1C ZINC000019558038 207132140 /nfs/dbraw/zinc/13/21/40/207132140.db2.gz ZOWHIDLPINYHKX-KRWDZBQOSA-N 0 0 384.867 4.241 40 0 GIABRN Cc1c(-c2cc(C(=O)N3CCC(CCc4ccccc4F)CC3)no2)cnn1C ZINC000019554034 207133061 /nfs/dbraw/zinc/13/30/61/207133061.db2.gz IVENAXPQEACMAP-UHFFFAOYSA-N 0 0 396.466 4.008 40 0 GIABRN COc1ccc(C(=O)N2CCC(c3cc4ccccc4cn3)CC2)c(OC)c1 ZINC000019551890 207133191 /nfs/dbraw/zinc/13/31/91/207133191.db2.gz MIAIZPQFVYBXPK-UHFFFAOYSA-N 0 0 376.456 4.272 40 0 GIABRN COc1cccc([C@H]2CCCN2C(=O)C2(c3cccc(F)c3)CCOCC2)c1 ZINC000019662012 207147321 /nfs/dbraw/zinc/14/73/21/207147321.db2.gz AJUQJPXFKSNBNJ-OAQYLSRUSA-N 0 0 383.463 4.246 40 0 GIABRN CNc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)ccn1 ZINC000019662505 207147710 /nfs/dbraw/zinc/14/77/10/207147710.db2.gz GIICSWUDDTZFLM-KRWDZBQOSA-N 0 0 377.492 4.074 40 0 GIABRN Cc1ccc(Cc2cc(C)nc(C3CCN(C(=O)c4cnccn4)CC3)c2)cc1 ZINC000019691645 207148189 /nfs/dbraw/zinc/14/81/89/207148189.db2.gz BSTLNYUICSNHEH-UHFFFAOYSA-N 0 0 386.499 4.099 40 0 GIABRN Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN2C(=O)c2ccc(N)nc2)n1 ZINC000019692049 207148989 /nfs/dbraw/zinc/14/89/89/207148989.db2.gz PCDCABWDWKXQEV-OAQYLSRUSA-N 0 0 390.462 4.074 40 0 GIABRN Cn1cc(-c2ccc([C@H]3CCCN3C(=O)c3cccc4cccnc43)nc2)cn1 ZINC000019691749 207149000 /nfs/dbraw/zinc/14/90/00/207149000.db2.gz KUNVTMDPHUTGHW-OAQYLSRUSA-N 0 0 383.455 4.008 40 0 GIABRN Cc1nc([C@@H]2CCCCN2C(=O)C2CCCC2)nc2c1CCCN2CC1CC1 ZINC000019706804 207149711 /nfs/dbraw/zinc/14/97/11/207149711.db2.gz WLZWMJHKHSMTMS-FQEVSTJZSA-N 0 0 382.552 4.191 40 0 GIABRN CN(C)Cc1cc([C@H]2CCCN2C(=O)c2ccccc2-c2ccccc2)nn1C ZINC000019709072 207149893 /nfs/dbraw/zinc/14/98/93/207149893.db2.gz JMGFJZKXZPSNOS-HSZRJFAPSA-N 0 0 388.515 4.126 40 0 GIABRN COc1cc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)ccc1-n1nc(C)cc1C ZINC000019655151 207145224 /nfs/dbraw/zinc/14/52/24/207145224.db2.gz AXNTWURYRCBQAI-OAHLLOKOSA-N 0 0 383.423 4.043 40 0 GIABRN Cc1nn([C@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)c(=O)c2ccccc12 ZINC000019656637 207145336 /nfs/dbraw/zinc/14/53/36/207145336.db2.gz QDPXLXTZZNKZKD-MRXNPFEDSA-N 0 0 391.471 4.226 40 0 GIABRN Clc1ccc(-n2cc(CN(Cc3ccccn3)C[C@H]3CCCO3)cn2)cc1 ZINC000019662913 207146552 /nfs/dbraw/zinc/14/65/52/207146552.db2.gz IQPGAMMPEVVWBA-OAQYLSRUSA-N 0 0 382.895 4.102 40 0 GIABRN O=C(c1cc(-c2ccccc2Cl)no1)N(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000019660871 207147080 /nfs/dbraw/zinc/14/70/80/207147080.db2.gz RMQXMSTWTOJYGV-INIZCTEOSA-N 0 0 397.862 4.211 40 0 GIABRN O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1ccc2c(c1)ncn2C1CC1 ZINC000019714342 207151594 /nfs/dbraw/zinc/15/15/94/207151594.db2.gz APRNWMFTQUOJLY-UHFFFAOYSA-N 0 0 375.407 4.007 40 0 GIABRN CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(-n3nc(C)cc3N)cc2)cc1 ZINC000019717867 207153604 /nfs/dbraw/zinc/15/36/04/207153604.db2.gz MYBFSIAEFFADCG-OAQYLSRUSA-N 0 0 390.487 4.139 40 0 GIABRN C[C@@H](C(=O)Nc1ccc2ncn(C)c2c1)n1c2ccccc2nc1C(F)(F)F ZINC000019718364 207155145 /nfs/dbraw/zinc/15/51/45/207155145.db2.gz JREXVAVALCTAKL-NSHDSACASA-N 0 0 387.365 4.142 40 0 GIABRN COc1cccc(-c2cc(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)on2)c1 ZINC000019718175 207155745 /nfs/dbraw/zinc/15/57/45/207155745.db2.gz RRFDGFMFFLJATJ-UHFFFAOYSA-N 0 0 388.427 4.405 40 0 GIABRN O=C(NCC1(c2cccc(F)c2)CCOCC1)c1cc(-c2cccc(F)c2)no1 ZINC000019718159 207156267 /nfs/dbraw/zinc/15/62/67/207156267.db2.gz LGNZVGASGLEFAU-UHFFFAOYSA-N 0 0 398.409 4.098 40 0 GIABRN CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3[nH]c(C)c(C)c32)CC1 ZINC000019747044 207156764 /nfs/dbraw/zinc/15/67/64/207156764.db2.gz FXIOZHPIEVKBCT-OAQYLSRUSA-N 0 0 381.520 4.038 40 0 GIABRN Cc1cccc(CCNC(=O)CC2CCN(C(=O)CC3CCCCC3)CC2)c1 ZINC000019748840 207159324 /nfs/dbraw/zinc/15/93/24/207159324.db2.gz ZWBINEKSFSWJCU-UHFFFAOYSA-N 0 0 384.564 4.253 40 0 GIABRN Cc1cc(O[C@@H](C)C(=O)NCc2ccccc2-n2ccnc2)cc(C)c1Cl ZINC000020036799 207174823 /nfs/dbraw/zinc/17/48/23/207174823.db2.gz TWWIBCUJRWMXNI-INIZCTEOSA-N 0 0 383.879 4.226 40 0 GIABRN COc1ccc(S[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC ZINC000020037107 207174959 /nfs/dbraw/zinc/17/49/59/207174959.db2.gz LJNGJCXPHLNJNY-BUBBNXEVSA-N 0 0 375.534 4.269 40 0 GIABRN COc1ccc(S[C@H](C)C(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1 ZINC000020044887 207175868 /nfs/dbraw/zinc/17/58/68/207175868.db2.gz GKKOVRIXYLMJFL-OAHLLOKOSA-N 0 0 389.517 4.288 40 0 GIABRN COC(=O)c1cc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)ccc1Cl ZINC000020048974 207176283 /nfs/dbraw/zinc/17/62/83/207176283.db2.gz SAULUIVOTCMZMU-CQSZACIVSA-N 0 0 375.852 4.458 40 0 GIABRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc2c(c1)OCCO2 ZINC000020140767 207178626 /nfs/dbraw/zinc/17/86/26/207178626.db2.gz DROMGWGNSZUWHM-UHFFFAOYSA-N 0 0 385.803 4.116 40 0 GIABRN CCn1c(SCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)nnc1-c1ccccc1Cl ZINC000019928258 207169776 /nfs/dbraw/zinc/16/97/76/207169776.db2.gz KRHPBQUWQLJKPX-WOSRLPQWSA-N 0 0 390.940 4.015 40 0 GIABRN CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3C)o2)cc1 ZINC000019929217 207172226 /nfs/dbraw/zinc/17/22/26/207172226.db2.gz UPOGWVBCMLSRTE-UHFFFAOYSA-N 0 0 396.472 4.043 40 0 GIABRN Cc1cc(O[C@H](C)C(=O)NCc2ccccc2-n2ccnc2)cc(C)c1Cl ZINC000020036795 207174328 /nfs/dbraw/zinc/17/43/28/207174328.db2.gz TWWIBCUJRWMXNI-MRXNPFEDSA-N 0 0 383.879 4.226 40 0 GIABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(OC)c(-c2ccc(CO)o2)c1 ZINC000020141217 207180798 /nfs/dbraw/zinc/18/07/98/207180798.db2.gz CZRWBXZCLAOIIQ-UHFFFAOYSA-N 0 0 387.819 4.362 40 0 GIABRN Cc1nc(SCc2ccc(NC(=O)c3ccc(Br)o3)cc2)n[nH]1 ZINC000020293614 207186537 /nfs/dbraw/zinc/18/65/37/207186537.db2.gz UELZICDVVJXDHR-UHFFFAOYSA-N 0 0 393.266 4.013 40 0 GIABRN CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2ccccc2CC)cc1OC ZINC000020487602 207198094 /nfs/dbraw/zinc/19/80/94/207198094.db2.gz FQJKYHHXMZMTHR-QGZVFWFLSA-N 0 0 385.504 4.173 40 0 GIABRN Cc1sc2ncnc(NCCN3CCOCC3)c2c1-c1ccc(Cl)cc1 ZINC000020449481 207193916 /nfs/dbraw/zinc/19/39/16/207193916.db2.gz GRQRTDJUCJSMER-UHFFFAOYSA-N 0 0 388.924 4.064 40 0 GIABRN FC(F)(F)c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccncc3)n2)cc1 ZINC000067898601 207201209 /nfs/dbraw/zinc/20/12/09/207201209.db2.gz UJPZUEZEBVVHFZ-SFHVURJKSA-N 0 0 388.393 4.064 40 0 biogenic,in-vitro GIABRN CCc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C)cc4)cc3n2)cc1 ZINC000020610191 207206964 /nfs/dbraw/zinc/20/69/64/207206964.db2.gz OMMCCHXQMHZWED-UHFFFAOYSA-N 0 0 386.455 4.309 40 0 GIABRN COc1ccc(-n2nc(Nc3ccccc3OC)c3c2C[C@H](C)CC3=O)cc1 ZINC000020796898 207214580 /nfs/dbraw/zinc/21/45/80/207214580.db2.gz GOPDMXMLKJVFPT-AWEZNQCLSA-N 0 0 377.444 4.398 40 0 GIABRN CCn1cc(C(=O)Nc2ccc(Br)cc2F)c(=O)c2ccccc21 ZINC000022234405 207249697 /nfs/dbraw/zinc/24/96/97/207249697.db2.gz KMOADNWTVYDJIH-UHFFFAOYSA-N 0 0 389.224 4.175 40 0 GIABRN CCn1cc(C(=O)N[C@H](C)c2ccccc2OC)c(=O)c2cc(Cl)ccc21 ZINC000022235031 207249875 /nfs/dbraw/zinc/24/98/75/207249875.db2.gz IFUVFDSUOHGXAD-CYBMUJFWSA-N 0 0 384.863 4.174 40 0 GIABRN COC(=O)c1ccc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)cc1 ZINC000022245919 207250746 /nfs/dbraw/zinc/25/07/46/207250746.db2.gz INYCLJVXACTXFU-UHFFFAOYSA-N 0 0 385.420 4.373 40 0 GIABRN COc1ccc(S[C@@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)cc1OC ZINC000022515976 207254952 /nfs/dbraw/zinc/25/49/52/207254952.db2.gz ZYTVUWBWNUFKSZ-ZDUSSCGKSA-N 0 0 379.909 4.496 40 0 GIABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(OC)cc1 ZINC000022518250 207255194 /nfs/dbraw/zinc/25/51/94/207255194.db2.gz FSISBXCLCBLGTD-GJZGRUSLSA-N 0 0 386.517 4.343 40 0 GIABRN COc1ccc(CN(C)C(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1OC ZINC000022516999 207255274 /nfs/dbraw/zinc/25/52/74/207255274.db2.gz JZSAIZORCOOHFY-INIZCTEOSA-N 0 0 379.456 4.283 40 0 GIABRN O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cc2c(s1)CCC2 ZINC000024562693 207291532 /nfs/dbraw/zinc/29/15/32/207291532.db2.gz KERSRLVOKZCPJM-GOSISDBHSA-N 0 0 377.513 4.289 40 0 GIABRN O=C(Nc1ccc(O)cc1)C1=CC[C@H](OC(F)(F)[C@@H](F)C(F)(F)F)C=C1 ZINC000026787328 207319536 /nfs/dbraw/zinc/31/95/36/207319536.db2.gz CKDGHWXCDBMQOS-OCCSQVGLSA-N 0 0 381.272 4.095 40 0 GIABRN COC(=O)C12C[C@H]3C[C@H](CC(NC(=O)Nc4ccccc4C(F)(F)F)(C3)C1)C2 ZINC000038680151 207315318 /nfs/dbraw/zinc/31/53/18/207315318.db2.gz BDBMJETWOHCXPM-NFAYLAGKSA-N 0 0 396.409 4.339 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1cccc2ccccc21 ZINC000028189342 207334580 /nfs/dbraw/zinc/33/45/80/207334580.db2.gz KWCGTRMLNWOQNN-UHFFFAOYSA-N 0 0 393.468 4.379 40 0 GIABRN O=C(COc1ccc(Cl)cc1Br)Nc1ccc(F)cc1F ZINC000027465369 207325938 /nfs/dbraw/zinc/32/59/38/207325938.db2.gz MIYGJRYLRVRWGH-UHFFFAOYSA-N 0 0 376.584 4.398 40 0 GIABRN COC(=O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000030755829 207372939 /nfs/dbraw/zinc/37/29/39/207372939.db2.gz DAVJGWIWSHDZDH-UHFFFAOYSA-N 0 0 383.425 4.066 40 0 GIABRN Cc1cc(OCC(=O)N[C@H](C)c2ccc(F)cc2)cc(C)c1Br ZINC000030853545 207375008 /nfs/dbraw/zinc/37/50/08/207375008.db2.gz MOZINMHBUGJBCM-CYBMUJFWSA-N 0 0 380.257 4.461 40 0 GIABRN CN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1I ZINC000030848439 207375716 /nfs/dbraw/zinc/37/57/16/207375716.db2.gz LDJYNPAZZCZWLF-UHFFFAOYSA-N 0 0 385.632 4.217 40 0 GIABRN O=C(CN1CCOCC1)N1c2ccccc2Sc2cc3ccccc3cc21 ZINC000031672258 207384129 /nfs/dbraw/zinc/38/41/29/207384129.db2.gz IJYRCKHDPNXSSJ-UHFFFAOYSA-N 0 0 376.481 4.301 40 0 GIABRN C[C@@H]1[C@@H](c2ccc(N(C)C)cc2)c2cc3c(cc2O[C@@H]1N1CCCC1)OCO3 ZINC000031860880 207386025 /nfs/dbraw/zinc/38/60/25/207386025.db2.gz VEINRYGCKDRNLM-QABPDZFRSA-N 0 0 380.488 4.064 40 0 GIABRN O=C(CCc1ccc(Cl)cc1Cl)NCc1cccc(N2CCCC2=O)c1 ZINC000032312439 207394054 /nfs/dbraw/zinc/39/40/54/207394054.db2.gz YFWLSVVIDRVVNP-UHFFFAOYSA-N 0 0 391.298 4.369 40 0 GIABRN COc1cc(OC)cc(OCC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1 ZINC000044885004 207640640 /nfs/dbraw/zinc/64/06/40/207640640.db2.gz UYNDXMQODLHGPB-DEOSSOPVSA-N 0 0 391.467 4.297 40 0 GIABRN Cc1cc2nc([C@H]3CCCN(C(=O)C4CCCCC4)C3)cc(C(F)(F)F)n2n1 ZINC000072340895 207997422 /nfs/dbraw/zinc/99/74/22/207997422.db2.gz AGYFDXMHZUIXON-HNNXBMFYSA-N 0 0 394.441 4.343 40 0 GIABRN Cc1ccc(/C(Cl)=C(/NC(=O)c2ccccc2)C(=O)N2CCCCC2)cc1 ZINC000072177421 207987768 /nfs/dbraw/zinc/98/77/68/207987768.db2.gz GLOWHFXTBJUAAU-VXPUYCOJSA-N 0 0 382.891 4.345 40 0 GIABRN Cc1cccnc1Nc1ccc([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)nc1 ZINC000072353150 208001159 /nfs/dbraw/zinc/00/11/59/208001159.db2.gz LTDRHEYADWBWLI-FQEVSTJZSA-N 0 0 394.519 4.277 40 0 GIABRN O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072358479 208003137 /nfs/dbraw/zinc/00/31/37/208003137.db2.gz XNKTUIUYFOQGDD-QGZVFWFLSA-N 0 0 379.410 4.442 40 0 GIABRN Cc1cnc(Nc2cc([C@@H]3CCCN3C(=O)N3CCCCC3)nc(C)n2)s1 ZINC000072359924 208004050 /nfs/dbraw/zinc/00/40/50/208004050.db2.gz JPRCHROPESPJTD-INIZCTEOSA-N 0 0 386.525 4.036 40 0 GIABRN Cc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)c3cscn3)C2)cc1 ZINC000072362650 208005868 /nfs/dbraw/zinc/00/58/68/208005868.db2.gz PCQREPCPTFYYIL-OAHLLOKOSA-N 0 0 380.473 4.054 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@H](c3nccnc3Oc3ccc(C)cc3)C2)o1 ZINC000072362705 208006378 /nfs/dbraw/zinc/00/63/78/208006378.db2.gz VXRVGOXXQXAMQT-KRWDZBQOSA-N 0 0 392.459 4.202 40 0 GIABRN Cc1cccnc1Nc1cccc([C@H]2CCCN2S(=O)(=O)c2ccccc2)n1 ZINC000072375196 208010044 /nfs/dbraw/zinc/01/00/44/208010044.db2.gz GTLDHQRNPPHAFH-LJQANCHMSA-N 0 0 394.500 4.054 40 0 GIABRN O=C(c1ccccn1)N1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1 ZINC000072383862 208011537 /nfs/dbraw/zinc/01/15/37/208011537.db2.gz UQGPKMNGMBHEFA-SFHVURJKSA-N 0 0 380.835 4.295 40 0 GIABRN CC(C)c1nccn1-c1cccc([C@H]2CCCN2C(=O)COc2ccccc2)n1 ZINC000072379023 208011736 /nfs/dbraw/zinc/01/17/36/208011736.db2.gz GRRCRAIRCPUTBA-HXUWFJFHSA-N 0 0 390.487 4.133 40 0 GIABRN O=C(c1ccccc1)N1CCC[C@H](c2nnc(-c3nccc4ccccc43)o2)C1 ZINC000072390109 208011935 /nfs/dbraw/zinc/01/19/35/208011935.db2.gz INPVWHCLSVOVEY-SFHVURJKSA-N 0 0 384.439 4.305 40 0 GIABRN Cc1cnc(Nc2cc(C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)ncn2)s1 ZINC000072383459 208012730 /nfs/dbraw/zinc/01/27/30/208012730.db2.gz YIVWNLDQXLWVQQ-AWEZNQCLSA-N 0 0 389.525 4.175 40 0 GIABRN CC1(C)Cc2c(cnn2Cc2ccccc2)[C@@H](NC(=O)Cc2ccccc2F)C1 ZINC000072396211 208013641 /nfs/dbraw/zinc/01/36/41/208013641.db2.gz GRXMSCWNMCCHNX-NRFANRHFSA-N 0 0 391.490 4.443 40 0 GIABRN COC(=O)C12CCC(c3nnc(-c4ccccc4C(F)(F)F)n3C)(CC1)CC2 ZINC000091302047 208113877 /nfs/dbraw/zinc/11/38/77/208113877.db2.gz KKAPACYLOSZADX-UHFFFAOYSA-N 0 0 393.409 4.266 40 0 GIABRN CC(C)(C)OC(=O)N1CC[C@H](COc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000091364392 208116794 /nfs/dbraw/zinc/11/67/94/208116794.db2.gz AXPZLRVDNSNKSR-JTQLQIEISA-N 0 0 380.794 4.390 40 0 GIABRN CCCC[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000095483660 208195462 /nfs/dbraw/zinc/19/54/62/208195462.db2.gz MMPNJVSWEOJWGD-FHWLQOOXSA-N 0 0 384.863 4.209 40 0 GIABRN CC(C)n1c2c(nc1C(=O)Nc1cccc(F)c1)CN(Cc1ccccc1)CC2 ZINC000096147136 208274194 /nfs/dbraw/zinc/27/41/94/208274194.db2.gz UMMLCJMQQYZLIN-UHFFFAOYSA-N 0 0 392.478 4.414 40 0 GIABRN CCCNC(=O)c1ccc2onc(-c3coc(-c4ccc(OC)cc4)n3)c2c1 ZINC000096154272 208278121 /nfs/dbraw/zinc/27/81/21/208278121.db2.gz VIRNYHPIQBYLQA-UHFFFAOYSA-N 0 0 377.400 4.298 40 0 GIABRN O=C1N(Cc2ccccc2)c2ccccc2C12CCN(Cc1nccs1)CC2 ZINC000096052529 208256390 /nfs/dbraw/zinc/25/63/90/208256390.db2.gz AAYBZWXTTRBATO-UHFFFAOYSA-N 0 0 389.524 4.224 40 0 GIABRN O=C(Cc1ccc(Cl)cc1)N1CCC2(CN(Cc3cccc(Cl)c3)C2)C1 ZINC000096202440 208286689 /nfs/dbraw/zinc/28/66/89/208286689.db2.gz SKXIQAFHLOXSJF-UHFFFAOYSA-N 0 0 389.326 4.270 40 0 GIABRN CC[C@H](Oc1ccccc1F)C(=O)N(CC)Cc1nc(-c2cccs2)no1 ZINC000096234452 208290488 /nfs/dbraw/zinc/29/04/88/208290488.db2.gz DLSXDCACTRCDPC-AWEZNQCLSA-N 0 0 389.452 4.143 40 0 GIABRN CC(C)(C)CC(=O)N1CCC2(C[C@H](CC(=O)N3CCCC3)c3ccccc32)CC1 ZINC000096242123 208292488 /nfs/dbraw/zinc/29/24/88/208292488.db2.gz NQSKVLAXODIWJV-IBGZPJMESA-N 0 0 396.575 4.483 40 0 GIABRN CSc1ccccc1Nc1cc(-c2cccnc2)nc(NC2CCCC2)n1 ZINC000329004314 533043103 /nfs/dbraw/zinc/04/31/03/533043103.db2.gz KRGKTSKNKHJDLR-UHFFFAOYSA-N 0 0 377.517 4.202 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)C[C@@H]3C=CCC3)CC2)on1 ZINC000100743738 208380338 /nfs/dbraw/zinc/38/03/38/208380338.db2.gz FMGZPMCFCCNLRX-QRVBRYPASA-N 0 0 394.519 4.495 40 0 GIABRN Cc1ccccc1[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000101130384 208386977 /nfs/dbraw/zinc/38/69/77/208386977.db2.gz KQRUZMIDWXROHC-VABKMULXSA-N 0 0 398.462 4.042 40 0 GIABRN COc1ccc(N2C(=O)C[C@H](Nc3ccc4c(c3)Cc3ccccc3-4)C2=O)cc1 ZINC000100163691 208373225 /nfs/dbraw/zinc/37/32/25/208373225.db2.gz AJXJRLIAXULCGF-QFIPXVFZSA-N 0 0 384.435 4.010 40 0 GIABRN CCOc1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000101276331 208389735 /nfs/dbraw/zinc/38/97/35/208389735.db2.gz LBYSUYMURWYUMY-MRXNPFEDSA-N 0 0 379.243 4.136 40 0 GIABRN CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)NC[C@H]2CCCO2)C12CCCCC2 ZINC000101716128 208396252 /nfs/dbraw/zinc/39/62/52/208396252.db2.gz UJTRLZADDMBHFV-DBXWQHBBSA-N 0 0 398.547 4.023 40 0 GIABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)c3ccccc3)cc2c1 ZINC000001366790 208495904 /nfs/dbraw/zinc/49/59/04/208495904.db2.gz CJUFTZOMAPQPAZ-UHFFFAOYSA-N 0 0 398.462 4.379 40 0 GIABRN Cc1nc2ccc(NC(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(F)cc1 ZINC000001363092 208496006 /nfs/dbraw/zinc/49/60/06/208496006.db2.gz MXZMTUPGWUODRU-UHFFFAOYSA-N 0 0 387.414 4.145 40 0 GIABRN Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NCC(C)C)cc2c1 ZINC000000884411 208484476 /nfs/dbraw/zinc/48/44/76/208484476.db2.gz OBIBPZGJSBHFPH-UHFFFAOYSA-N 0 0 399.585 4.431 40 0 GIABRN Cc1csc(NC(=O)CSc2nnc3c(C)cc4cc(C)c(C)cc4n23)n1 ZINC000000877252 208485168 /nfs/dbraw/zinc/48/51/68/208485168.db2.gz GHIPOQAHLIIQIX-UHFFFAOYSA-N 0 0 397.529 4.303 40 0 GIABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)c1 ZINC000000894664 208485991 /nfs/dbraw/zinc/48/59/91/208485991.db2.gz IDYRPIGLYJWZKQ-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)OC1CCCCC1 ZINC000000886538 208486171 /nfs/dbraw/zinc/48/61/71/208486171.db2.gz URYJVZIQSWGFBW-UHFFFAOYSA-N 0 0 394.500 4.297 40 0 GIABRN CCCc1nc2ccc(NC(=O)NCC)cc2c(=O)n1Cc1cccc(Cl)c1 ZINC000000930755 208488042 /nfs/dbraw/zinc/48/80/42/208488042.db2.gz SIRNLFQAEIVTES-UHFFFAOYSA-N 0 0 398.894 4.192 40 0 GIABRN Cc1nc2ccc(NC(=O)C(C)(C)C)cc2c(=O)n1Cc1cccc(Cl)c1 ZINC000000930699 208488150 /nfs/dbraw/zinc/48/81/50/208488150.db2.gz JTRNOGWXMQLWLH-UHFFFAOYSA-N 0 0 383.879 4.391 40 0 GIABRN Cc1ccc(C(=O)N(CC(=O)NC2CCCC2)c2ccccc2Cl)s1 ZINC000001330232 208492959 /nfs/dbraw/zinc/49/29/59/208492959.db2.gz KVPBZSNAOWHSNM-UHFFFAOYSA-N 0 0 376.909 4.416 40 0 GIABRN Cc1ccccc1-c1nnc(SCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)n1C ZINC000003304355 208510441 /nfs/dbraw/zinc/51/04/41/208510441.db2.gz LGOXZMRVGXRHRS-AOMKIAJQSA-N 0 0 398.576 4.310 40 0 GIABRN Cc1sc2[nH]c(SCC(=O)Nc3cc(Cl)ccc3C)nc(=O)c2c1C ZINC000001368276 208497567 /nfs/dbraw/zinc/49/75/67/208497567.db2.gz BUCMGPNWVCHLEK-UHFFFAOYSA-N 0 0 393.921 4.294 40 0 GIABRN O=C(NCc1nnc(SC/C=C/c2ccccc2)o1)c1c(F)cccc1F ZINC000004354373 208544876 /nfs/dbraw/zinc/54/48/76/208544876.db2.gz RPPQUNNHLIUWMM-VMPITWQZSA-N 0 0 387.411 4.083 40 0 GIABRN O=c1[nH]c(=O)c2c([nH]1)Nc1ccc3ccccc3c1[C@H]2c1ccccc1Cl ZINC000004459126 208545551 /nfs/dbraw/zinc/54/55/51/208545551.db2.gz YOGMKOLYLHCAIH-QGZVFWFLSA-N 0 0 375.815 4.107 40 0 GIABRN CCCCNC(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 ZINC000005018159 208664049 /nfs/dbraw/zinc/66/40/49/208664049.db2.gz UNPHHHHSWKPZBS-UHFFFAOYSA-N 0 0 387.402 4.310 40 0 GIABRN COc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1F ZINC000408681281 533098138 /nfs/dbraw/zinc/09/81/38/533098138.db2.gz RHNLFGBZQFJIPE-UHFFFAOYSA-N 0 0 385.460 4.225 40 0 GIABRN CCc1ccc(N2C[C@@H](C(=O)Nc3cccc(Br)c3)CC2=O)cc1 ZINC000005477287 208722134 /nfs/dbraw/zinc/72/21/34/208722134.db2.gz XCDNAWJCQAJPSR-AWEZNQCLSA-N 0 0 387.277 4.003 40 0 GIABRN CC(C)(C)CNC(=O)c1nc(-c2ccn(Cc3cccnc3)c2)n2ccccc12 ZINC000306133275 209101424 /nfs/dbraw/zinc/10/14/24/209101424.db2.gz MHBWTZOXJXFYTE-UHFFFAOYSA-N 0 0 387.487 4.022 40 0 GIABRN CCOc1cc(NC(=O)c2ccc(Br)cc2)c(OCC)cc1N ZINC000013564040 208784640 /nfs/dbraw/zinc/78/46/40/208784640.db2.gz LQFMFVUOBUBVBZ-UHFFFAOYSA-N 0 0 379.254 4.081 40 0 GIABRN Cc1ccc(CN2CCO[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)s1 ZINC000306129342 209100131 /nfs/dbraw/zinc/10/01/31/209100131.db2.gz IBAMVBIWPWUNOB-OAQYLSRUSA-N 0 0 390.512 4.340 40 0 GIABRN CC(C)n1c2c(n3cc(-c4ccc(F)cc4)nc31)CN(Cc1cccnc1)CC2 ZINC000306128067 209100141 /nfs/dbraw/zinc/10/01/41/209100141.db2.gz GPFQJTONOWDYTG-UHFFFAOYSA-N 0 0 389.478 4.476 40 0 GIABRN CCOc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1 ZINC000216473331 208822974 /nfs/dbraw/zinc/82/29/74/208822974.db2.gz SEUNZQLPCOLZTM-GJZGRUSLSA-N 0 0 389.517 4.461 40 0 GIABRN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000219212963 208843946 /nfs/dbraw/zinc/84/39/46/208843946.db2.gz QUOLSHKKSXXLIE-UHFFFAOYSA-N 0 0 384.435 4.297 40 0 GIABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219333882 208845990 /nfs/dbraw/zinc/84/59/90/208845990.db2.gz VAJUFHRIKZPBMT-GOSISDBHSA-N 0 0 399.878 4.481 40 0 GIABRN COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1)CC(C)(C)O2 ZINC000219550169 208848266 /nfs/dbraw/zinc/84/82/66/208848266.db2.gz DOMNMCNNCSZOKD-UZLBHIALSA-N 0 0 383.488 4.498 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccccc2F)cc1Cl ZINC000219579074 208850327 /nfs/dbraw/zinc/85/03/27/208850327.db2.gz BSZZQPNJPFCBBK-INIZCTEOSA-N 0 0 379.815 4.452 40 0 GIABRN Cc1ccccc1N(CCCC(=O)Nc1ccccc1C(C)C)S(C)(=O)=O ZINC000222555566 208877899 /nfs/dbraw/zinc/87/78/99/208877899.db2.gz CEMHYDOWPMSKKP-UHFFFAOYSA-N 0 0 388.533 4.303 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc2c1CCCC2 ZINC000222545247 208878181 /nfs/dbraw/zinc/87/81/81/208878181.db2.gz OKQPVKITSGRFPE-SJORKVTESA-N 0 0 394.515 4.500 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000222610822 208878758 /nfs/dbraw/zinc/87/87/58/208878758.db2.gz JCIDOOAQQSHHTO-OFNKIYASSA-N 0 0 394.559 4.302 40 0 GIABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)ccc1Cl ZINC000222843591 208885159 /nfs/dbraw/zinc/88/51/59/208885159.db2.gz UZPRKLGMQXSPQH-HNNXBMFYSA-N 0 0 388.895 4.440 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1C ZINC000222890297 208887015 /nfs/dbraw/zinc/88/70/15/208887015.db2.gz DAGKMGCCQUUFGL-SFHVURJKSA-N 0 0 398.522 4.317 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222903708 208887580 /nfs/dbraw/zinc/88/75/80/208887580.db2.gz GMXIXIIPULSDSO-KRWDZBQOSA-N 0 0 384.495 4.009 40 0 GIABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 ZINC000222957172 208888485 /nfs/dbraw/zinc/88/84/85/208888485.db2.gz WRAZWVHLHBONDO-LEWJYISDSA-N 0 0 391.544 4.099 40 0 GIABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 ZINC000223033890 208890917 /nfs/dbraw/zinc/89/09/17/208890917.db2.gz LLGHZBXMCHBTTI-SFHVURJKSA-N 0 0 399.878 4.481 40 0 GIABRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)C(C)C ZINC000223057557 208891225 /nfs/dbraw/zinc/89/12/25/208891225.db2.gz AOGVVQNAKXVBKO-QFIPXVFZSA-N 0 0 380.532 4.199 40 0 GIABRN CCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCC(C)C ZINC000223052918 208891405 /nfs/dbraw/zinc/89/14/05/208891405.db2.gz HYPBZQOWYSXDBU-QFIPXVFZSA-N 0 0 380.532 4.199 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C ZINC000223057236 208891520 /nfs/dbraw/zinc/89/15/20/208891520.db2.gz YDCXSIROKMRLHF-NRFANRHFSA-N 0 0 396.531 4.051 40 0 GIABRN Cc1ccc(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1C ZINC000223120005 208893190 /nfs/dbraw/zinc/89/31/90/208893190.db2.gz NSYFERJVIOSGLQ-HXUWFJFHSA-N 0 0 394.559 4.220 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c(C)c1C ZINC000223127651 208893248 /nfs/dbraw/zinc/89/32/48/208893248.db2.gz AJHHSBBZFIJBQI-QGZVFWFLSA-N 0 0 389.517 4.201 40 0 GIABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000223118232 208893708 /nfs/dbraw/zinc/89/37/08/208893708.db2.gz FNRCDOOKFXCGQN-OAQYLSRUSA-N 0 0 386.923 4.072 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C ZINC000223142567 208894330 /nfs/dbraw/zinc/89/43/30/208894330.db2.gz YEUJXEVOERKIHH-HXUWFJFHSA-N 0 0 386.923 4.053 40 0 GIABRN COc1ccc(-c2ncc(C(=O)Nc3cc(Cl)ccc3OC)c(C)n2)cc1 ZINC000223143507 208894518 /nfs/dbraw/zinc/89/45/18/208894518.db2.gz CUMOGYOMJMOTPX-UHFFFAOYSA-N 0 0 383.835 4.375 40 0 GIABRN CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC ZINC000222787377 208884082 /nfs/dbraw/zinc/88/40/82/208884082.db2.gz NDWCMBMVRPLWDD-SFHVURJKSA-N 0 0 393.314 4.089 40 0 GIABRN O=C(COc1ccc2c(c1)CCCC2)NCCOc1ccc2ccccc2c1 ZINC000223641425 208907632 /nfs/dbraw/zinc/90/76/32/208907632.db2.gz ZGJMIGXENATXOY-UHFFFAOYSA-N 0 0 375.468 4.293 40 0 GIABRN CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 ZINC000223846352 208911637 /nfs/dbraw/zinc/91/16/37/208911637.db2.gz LCSQXRLRISNQIS-UXHICEINSA-N 0 0 378.501 4.347 40 0 GIABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1C(C)C ZINC000223305500 208898519 /nfs/dbraw/zinc/89/85/19/208898519.db2.gz KRIVJEHMIOMHNS-YYWHXJBOSA-N 0 0 398.576 4.232 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1Cc1cccnc1 ZINC000223448245 208902007 /nfs/dbraw/zinc/90/20/07/208902007.db2.gz QEMSPYDLTPPXRB-DLBZAZTESA-N 0 0 386.933 4.364 40 0 GIABRN COc1cccc(OCCNC(=O)c2ccccc2OCc2ccccc2)c1 ZINC000224274386 208922451 /nfs/dbraw/zinc/92/24/51/208922451.db2.gz NZOSOOLYAOCZMG-UHFFFAOYSA-N 0 0 377.440 4.083 40 0 GIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000224464848 208926373 /nfs/dbraw/zinc/92/63/73/208926373.db2.gz YIIKRJUKSWWGOP-OAQYLSRUSA-N 0 0 385.504 4.345 40 0 GIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000224464665 208926714 /nfs/dbraw/zinc/92/67/14/208926714.db2.gz BTLVIAHTWXSMSN-QFIPXVFZSA-N 0 0 376.456 4.477 40 0 GIABRN Cc1ccc(OCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c(C)c1 ZINC000224481549 208926928 /nfs/dbraw/zinc/92/69/28/208926928.db2.gz ZQXKURDEEINTBV-UHFFFAOYSA-N 0 0 397.496 4.453 40 0 GIABRN S=C(NCC1(c2ccccc2)CCCC1)Nc1cnc(Br)cn1 ZINC000223973206 208914561 /nfs/dbraw/zinc/91/45/61/208914561.db2.gz GMTZDBRRLFTOFZ-UHFFFAOYSA-N 0 0 391.338 4.038 40 0 GIABRN Cc1cc(NC(=S)NCC2(c3ccc(F)cc3)CCOCC2)ncc1Cl ZINC000224026013 208916127 /nfs/dbraw/zinc/91/61/27/208916127.db2.gz SAVMVHDNSONHMF-UHFFFAOYSA-N 0 0 393.915 4.217 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1 ZINC000225089295 208941808 /nfs/dbraw/zinc/94/18/08/208941808.db2.gz UNCGOYYSKRKBHJ-VQTJNVASSA-N 0 0 396.531 4.014 40 0 GIABRN CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224621359 208930657 /nfs/dbraw/zinc/93/06/57/208930657.db2.gz MSBXCVMHWHLBDI-UHFFFAOYSA-N 0 0 378.252 4.356 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C ZINC000224665812 208931397 /nfs/dbraw/zinc/93/13/97/208931397.db2.gz UWOATQQIJUBFBE-QHCPKHFHSA-N 0 0 394.559 4.426 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000224741813 208932793 /nfs/dbraw/zinc/93/27/93/208932793.db2.gz VLZPCTWOTSMMCN-JOCHJYFZSA-N 0 0 398.522 4.338 40 0 GIABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000224753205 208933699 /nfs/dbraw/zinc/93/36/99/208933699.db2.gz NWNQCUMQPPLRCB-FZKQIMNGSA-N 0 0 377.868 4.392 40 0 GIABRN O=S(=O)(Cc1c(F)cccc1Cl)Nc1ccc(OC(F)(F)F)cc1 ZINC000224874992 208936520 /nfs/dbraw/zinc/93/65/20/208936520.db2.gz BALCNCVDEUUOAD-UHFFFAOYSA-N 0 0 383.750 4.320 40 0 GIABRN CCOC(=O)CN(c1c(C)cccc1C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225043635 208939949 /nfs/dbraw/zinc/93/99/49/208939949.db2.gz SNOWTUZULBQMNE-UHFFFAOYSA-N 0 0 397.496 4.215 40 0 GIABRN CC(C)(CCCNC(=O)c1cc(Br)ccc1Cl)C1OCCO1 ZINC000225074083 208940321 /nfs/dbraw/zinc/94/03/21/208940321.db2.gz HTWKQFISULHZRK-UHFFFAOYSA-N 0 0 390.705 4.012 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1 ZINC000225049042 208940414 /nfs/dbraw/zinc/94/04/14/208940414.db2.gz RMYPTRCGCLQEBB-WOJBJXKFSA-N 0 0 396.531 4.014 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2cc(C)ccc2C)[C@H](C)C(=O)NC(C)C)c1 ZINC000225511511 208957224 /nfs/dbraw/zinc/95/72/24/208957224.db2.gz GVSIGEICIVBMLN-HXUWFJFHSA-N 0 0 380.532 4.096 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(C)c(C)c1 ZINC000225190405 208944538 /nfs/dbraw/zinc/94/45/38/208944538.db2.gz GHMRIAKWMRKGKX-LJQANCHMSA-N 0 0 398.522 4.319 40 0 GIABRN Cc1cccc(NC(=S)NC2CCN(C(=O)c3ccccc3)CC2)c1Cl ZINC000225226353 208945090 /nfs/dbraw/zinc/94/50/90/208945090.db2.gz IXKFIVQLCWSYKI-UHFFFAOYSA-N 0 0 387.936 4.240 40 0 GIABRN Cc1ccc(NC(=S)NC2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 ZINC000225226410 208945378 /nfs/dbraw/zinc/94/53/78/208945378.db2.gz OCBLAVHTKJYNKG-UHFFFAOYSA-N 0 0 387.936 4.240 40 0 GIABRN CC[C@@H](NC(=O)c1ccc(Cn2ccnc2C)cc1)c1ccc(OC)c(C)c1 ZINC000225301357 208946753 /nfs/dbraw/zinc/94/67/53/208946753.db2.gz HRIGRKJYUNVGAW-OAQYLSRUSA-N 0 0 377.488 4.438 40 0 GIABRN CN(C)C(=O)c1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)cc1 ZINC000225308216 208947138 /nfs/dbraw/zinc/94/71/38/208947138.db2.gz HBFWBYCJWPDDQZ-UHFFFAOYSA-N 0 0 382.316 4.182 40 0 GIABRN CCOC(=O)c1cc(NC(=S)NCc2ccccc2OC)ccc1Cl ZINC000225313222 208947367 /nfs/dbraw/zinc/94/73/67/208947367.db2.gz DHVSXVCDDKSZPP-UHFFFAOYSA-N 0 0 378.881 4.012 40 0 GIABRN C[C@@]1(c2ccc(Cl)cc2)NC(=S)N(c2ccc(Br)cc2)N1 ZINC000225341800 208949118 /nfs/dbraw/zinc/94/91/18/208949118.db2.gz AOKBOQVKWUAHGN-OAHLLOKOSA-N 0 0 382.714 4.175 40 0 GIABRN CCOc1ccccc1CCCNC(=S)Nc1cccc(C(=O)OC)c1C ZINC000225396629 208950509 /nfs/dbraw/zinc/95/05/09/208950509.db2.gz GCAPFRUPFRKGHY-UHFFFAOYSA-N 0 0 386.517 4.100 40 0 GIABRN COC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(OC)cc2)ccc1Cl ZINC000225464655 208952904 /nfs/dbraw/zinc/95/29/04/208952904.db2.gz WGXABQJGQWPANW-LLVKDONJSA-N 0 0 378.881 4.183 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225444520 208953956 /nfs/dbraw/zinc/95/39/56/208953956.db2.gz GACHLUOOZQKUHB-HSZRJFAPSA-N 0 0 394.559 4.222 40 0 GIABRN COC(=O)c1cc(NC(=S)NCc2ccc(OC(C)C)cc2)ccc1Cl ZINC000225446946 208954047 /nfs/dbraw/zinc/95/40/47/208954047.db2.gz GBWGDOMKEUGZCJ-UHFFFAOYSA-N 0 0 392.908 4.400 40 0 GIABRN Cc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cccc4c3CCCC4)n2)cc1 ZINC000225480888 208955073 /nfs/dbraw/zinc/95/50/73/208955073.db2.gz JTYPWNSMDITDGO-MRXNPFEDSA-N 0 0 391.471 4.008 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 ZINC000225491156 208955126 /nfs/dbraw/zinc/95/51/26/208955126.db2.gz ZTFSGLOGJVFZRZ-UWJYYQICSA-N 0 0 384.495 4.090 40 0 GIABRN CCCOc1ccccc1CCCNC(=S)Nc1ccc(OC)cc1OC ZINC000225624784 208963231 /nfs/dbraw/zinc/96/32/31/208963231.db2.gz MFKLQMPYKRDTLS-UHFFFAOYSA-N 0 0 388.533 4.412 40 0 GIABRN CC(C)Oc1ccc(NC(=S)NCc2cccc(N3CCCC3=O)c2)cc1 ZINC000225647122 208965328 /nfs/dbraw/zinc/96/53/28/208965328.db2.gz LXTJOFYZNGIOHN-UHFFFAOYSA-N 0 0 383.517 4.087 40 0 GIABRN CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1 ZINC000225698504 208969303 /nfs/dbraw/zinc/96/93/03/208969303.db2.gz JZJXFCYTXRCDEG-JOCHJYFZSA-N 0 0 390.524 4.002 40 0 GIABRN COc1ccccc1CCCNC(=S)Nc1ccc(Br)cc1 ZINC000225549339 208960003 /nfs/dbraw/zinc/96/00/03/208960003.db2.gz VRWPDQPSLWYZEY-UHFFFAOYSA-N 0 0 379.323 4.377 40 0 GIABRN COc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(Br)cc1 ZINC000225785525 208976529 /nfs/dbraw/zinc/97/65/29/208976529.db2.gz QECKBOZMIBXVOP-GFCCVEGCSA-N 0 0 395.322 4.212 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)NCCOc2ccccc2Cl)c1 ZINC000225780319 208976850 /nfs/dbraw/zinc/97/68/50/208976850.db2.gz XDRHMYBDTOSRNK-UHFFFAOYSA-N 0 0 399.299 4.145 40 0 GIABRN CCOc1ccccc1CCCNC(=O)COc1cccc(C(F)(F)F)c1 ZINC000225811626 208977234 /nfs/dbraw/zinc/97/72/34/208977234.db2.gz YLDZOLBNMNRCFL-UHFFFAOYSA-N 0 0 381.394 4.232 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)cc1 ZINC000225918008 208984102 /nfs/dbraw/zinc/98/41/02/208984102.db2.gz YARYIHWWXWBJJF-UHFFFAOYSA-N 0 0 390.443 4.266 40 0 GIABRN COc1cc(C)nc(NC(=S)NCC2(c3ccc(F)cc3)CCCCC2)n1 ZINC000225991098 208986056 /nfs/dbraw/zinc/98/60/56/208986056.db2.gz KRCPKIRLOUWYBO-UHFFFAOYSA-N 0 0 388.512 4.121 40 0 GIABRN COc1cc2c(cc1OC)CN(c1cc(NC3CCCC3)nc(C3CC3)n1)CC2 ZINC000329023020 533172346 /nfs/dbraw/zinc/17/23/46/533172346.db2.gz OQJLMWCKHYHCDH-UHFFFAOYSA-N 0 0 394.519 4.288 40 0 GIABRN COc1ccc([C@H]2SCC(=O)N2Nc2ccccc2)cc1Br ZINC000039377171 533209135 /nfs/dbraw/zinc/20/91/35/533209135.db2.gz FMTQKOVIBHOSPH-MRXNPFEDSA-N 0 0 379.279 4.059 40 0 GIABRN Cc1cc(OC(=O)Nc2ccccc2)n(CCOC(=O)Nc2ccccc2)n1 ZINC000255187856 209045655 /nfs/dbraw/zinc/04/56/55/209045655.db2.gz HERWIWOAECKBGJ-UHFFFAOYSA-N 0 0 380.404 4.051 40 0 GIABRN O=C(NC1CCC(NC(=O)OC[C@H]2CC=CCC2)CC1)OC[C@H]1CC=CCC1 ZINC000255187054 209045691 /nfs/dbraw/zinc/04/56/91/209045691.db2.gz BAKATBMUFWLOAO-VCAKUFKGSA-N 0 0 390.524 4.463 40 0 GIABRN Cc1cc(C(=O)N2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)sc1C ZINC000252017254 209033252 /nfs/dbraw/zinc/03/32/52/209033252.db2.gz WGAVOFQGAKMMFD-SFHVURJKSA-N 0 0 377.550 4.193 40 0 GIABRN O=C(CC1(O)CCCCC1)N1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000257207009 209056374 /nfs/dbraw/zinc/05/63/74/209056374.db2.gz BFWSMJVBZFMRCQ-MRXNPFEDSA-N 0 0 386.521 4.031 40 0 GIABRN O=C([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](Cc3ccccn3)C2)o1 ZINC000257217524 209057017 /nfs/dbraw/zinc/05/70/17/209057017.db2.gz CZIUSYOLVSEJRG-KRWDZBQOSA-N 0 0 376.456 4.495 40 0 GIABRN CC(C)(C)OC(=O)N1CC[C@H]2O[C@H]3c4ccc(O)cc4OC(C)(C)[C@@H]3C[C@H]21 ZINC000257222948 209057890 /nfs/dbraw/zinc/05/78/90/209057890.db2.gz DVGIRBJIDIHTQW-KONPQCLYSA-N 0 0 375.465 4.019 40 0 GIABRN O=C(CCCc1ccccn1)NCc1cccc(-c2n[nH]cc2-c2ccncc2)c1 ZINC000257216905 209058190 /nfs/dbraw/zinc/05/81/90/209058190.db2.gz CWPQJBLXMYMXSZ-UHFFFAOYSA-N 0 0 397.482 4.173 40 0 GIABRN Cc1noc(C)c1-c1cc([C@@H]2CCCN2C(=O)Cc2ccccc2F)nc(C)n1 ZINC000257256982 209061838 /nfs/dbraw/zinc/06/18/38/209061838.db2.gz KNPXLPWXQHEYTM-FQEVSTJZSA-N 0 0 394.450 4.102 40 0 GIABRN Cc1cncc([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)n1 ZINC000257245417 209059419 /nfs/dbraw/zinc/05/94/19/209059419.db2.gz IPJQBSMSVILUOQ-INIZCTEOSA-N 0 0 377.444 4.123 40 0 GIABRN CC(C)(C)OC(=O)N1CC[C@@H]2O[C@@H]3c4ccc(O)cc4OC(C)(C)[C@H]3C[C@H]2C1 ZINC000257251295 209059653 /nfs/dbraw/zinc/05/96/53/209059653.db2.gz JQDFLDIGEQHELA-LZLXCTOHSA-N 0 0 389.492 4.266 40 0 GIABRN O=C(c1ccc(F)cc1)N1CCO[C@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000257271629 209064430 /nfs/dbraw/zinc/06/44/30/209064430.db2.gz MZCIJFOAZJIDTR-QFIPXVFZSA-N 0 0 376.431 4.025 40 0 GIABRN CC(C)(C)OC(=O)N1CC[C@@H]2O[C@@H]3c4cccc(O)c4OC(C)(C)[C@H]3C[C@H]2C1 ZINC000257255622 209062518 /nfs/dbraw/zinc/06/25/18/209062518.db2.gz KIFMRSIOQSWWHP-QXRTWZOPSA-N 0 0 389.492 4.266 40 0 GIABRN COc1cccc(C(=O)N2CC[C@@H](Cc3cccc(-c4c(C)noc4C)n3)C2)c1 ZINC000257265327 209063176 /nfs/dbraw/zinc/06/31/76/209063176.db2.gz LYFISJIXMRNDKP-KRWDZBQOSA-N 0 0 391.471 4.067 40 0 GIABRN COCCC(=O)N1CCC[C@]2(CO[C@@H](c3ccc(F)cc3)[C@H](C(C)C)C2)C1 ZINC000257268075 209063714 /nfs/dbraw/zinc/06/37/14/209063714.db2.gz MKBYSFDHYOBLRK-ILWGZMRPSA-N 0 0 377.500 4.205 40 0 GIABRN C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000007980996 221018158 /nfs/dbraw/zinc/01/81/58/221018158.db2.gz ZLGSCTFDHCMOTE-NSHDSACASA-N 0 0 382.243 4.021 40 0 GIABRN CC(=O)Nc1ccc2nc(NC(=O)COc3ccc4ccccc4c3)sc2c1 ZINC000016321421 221360232 /nfs/dbraw/zinc/36/02/32/221360232.db2.gz OATPRPNDZSCYLQ-UHFFFAOYSA-N 0 0 391.452 4.425 40 0 GIABRN Cc1cccc(/C=C/C(=O)NC(=S)Nc2ccc(Br)cc2)c1 ZINC000016348924 221360366 /nfs/dbraw/zinc/36/03/66/221360366.db2.gz WWOSSFXDFIBCBL-BJMVGYQFSA-N 0 0 375.291 4.284 40 0 GIABRN Cc1ccc(NC(=O)OCc2cccnc2)cc1NC(=O)OCc1cccnc1 ZINC000016347562 221361119 /nfs/dbraw/zinc/36/11/19/221361119.db2.gz YCQCIRHQADNPIV-UHFFFAOYSA-N 0 0 392.415 4.282 40 0 GIABRN CC(C)CC(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)(C(N)=O)CC1 ZINC000257273612 209065714 /nfs/dbraw/zinc/06/57/14/209065714.db2.gz NHKWLODCDVQCBO-UHFFFAOYSA-N 0 0 378.516 4.036 40 0 GIABRN Cc1cc(C(=O)N[C@H]2C(C)(C)[C@@H]3C[C@@H]4[C@@H](c5ccccc5)OCC[C@@]42C3)on1 ZINC000257275828 209066263 /nfs/dbraw/zinc/06/62/63/209066263.db2.gz NRCGZYXGPHEZEA-ZIVVNCDHSA-N 0 0 380.488 4.295 40 0 GIABRN COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)c4scnc4C)C3)o2)c1 ZINC000257282854 209066888 /nfs/dbraw/zinc/06/68/88/209066888.db2.gz OVOXUJXQFCTFIE-MRXNPFEDSA-N 0 0 397.500 4.059 40 0 GIABRN COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3cccnc3)o2)c1 ZINC000257290080 209068183 /nfs/dbraw/zinc/06/81/83/209068183.db2.gz QBMVRMVYHSJYOC-FQEVSTJZSA-N 0 0 377.444 4.036 40 0 GIABRN Cc1noc(C)c1-c1cncc(CC[C@@H]2CCCN2C(=O)c2cccc(F)c2)n1 ZINC000257302564 209071197 /nfs/dbraw/zinc/07/11/97/209071197.db2.gz SDJUONMEJGDIIB-IBGZPJMESA-N 0 0 394.450 4.125 40 0 GIABRN O=C(COc1ccccc1F)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257310983 209071960 /nfs/dbraw/zinc/07/19/60/209071960.db2.gz UHKRTERBNIBJCC-LJQANCHMSA-N 0 0 398.409 4.286 40 0 GIABRN Cc1nc([C@@]2(C)CCCN(C(=O)c3cc(F)cc(F)c3)C2)c2sccn12 ZINC000257304515 209072200 /nfs/dbraw/zinc/07/22/00/209072200.db2.gz SMAKZRICDQUNJW-IBGZPJMESA-N 0 0 375.444 4.176 40 0 GIABRN COc1ccc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)c(OC)c1 ZINC000408801924 533241895 /nfs/dbraw/zinc/24/18/95/533241895.db2.gz XBOSOLFRYAKUIK-UHFFFAOYSA-N 0 0 389.884 4.429 40 0 GIABRN COCCN1C(=O)S/C(=C/c2ccccc2OCc2cccc(C)c2)C1=O ZINC000409213264 533341454 /nfs/dbraw/zinc/34/14/54/533341454.db2.gz TVTDNTXVTHXQOB-CPNJWEJPSA-N 0 0 383.469 4.257 40 0 GIABRN COc1ccc(C)cc1NC(=O)Cn1nc(COc2ccc(C)cc2)oc1=S ZINC000409170034 533398135 /nfs/dbraw/zinc/39/81/35/533398135.db2.gz SAIKBEGDBMVICD-UHFFFAOYSA-N 0 0 399.472 4.049 40 0 GIABRN COc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Cl ZINC000409231570 533422074 /nfs/dbraw/zinc/42/20/74/533422074.db2.gz JXMXQCZQRDVRMN-CXUHLZMHSA-N 0 0 391.254 4.403 40 0 GIABRN COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OC ZINC000409239147 533471217 /nfs/dbraw/zinc/47/12/17/533471217.db2.gz CERBKMCVIQLYLY-RIYZIHGNSA-N 0 0 393.226 4.108 40 0 GIABRN COc1cc(C(=S)N2CCCCC2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409239731 533560792 /nfs/dbraw/zinc/56/07/92/533560792.db2.gz PZMCSBZOCAJWTA-UHFFFAOYSA-N 0 0 398.528 4.183 40 0 GIABRN COc1cccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c1 ZINC000408622417 533616371 /nfs/dbraw/zinc/61/63/71/533616371.db2.gz PGDUOJKOCMOQRS-UHFFFAOYSA-N 0 0 392.480 4.401 40 0 GIABRN Cc1ccc(C)c(N(CCCC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)c1 ZINC000408702349 533671699 /nfs/dbraw/zinc/67/16/99/533671699.db2.gz DLEROEVCPXDCJI-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN CC1CCN(c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCO5)cc2)CC1 ZINC000013563023 136201298 /nfs/dbraw/zinc/20/12/98/136201298.db2.gz XZSIOBOUOCIBHS-UHFFFAOYSA-N 0 0 391.471 4.105 40 0 GIABRN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000014396870 136201478 /nfs/dbraw/zinc/20/14/78/136201478.db2.gz WJCMMVOUXQDJPD-UHFFFAOYSA-N 0 0 388.467 4.355 40 0 GIABRN O=C(Nc1cccc2ccccc21)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000222579185 136204773 /nfs/dbraw/zinc/20/47/73/136204773.db2.gz QQFYVNZIFZFZQI-UHFFFAOYSA-N 0 0 380.469 4.022 40 0 GIABRN Cc1ccc(C(=O)Nc2cccc3ccccc32)cc1N1CCCCS1(=O)=O ZINC000222565385 136204865 /nfs/dbraw/zinc/20/48/65/136204865.db2.gz OYCBPPGZOWSCPZ-UHFFFAOYSA-N 0 0 394.496 4.331 40 0 GIABRN CC[C@@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000223071889 136205551 /nfs/dbraw/zinc/20/55/51/136205551.db2.gz VWAYMSOCKAVTSX-HSZRJFAPSA-N 0 0 378.516 4.283 40 0 GIABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)NCCCOC(C)C)ccc32)c1 ZINC000223085100 136205557 /nfs/dbraw/zinc/20/55/57/136205557.db2.gz WQIPITLQBCMNMJ-UHFFFAOYSA-N 0 0 394.515 4.133 40 0 GIABRN Cc1nc([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)C2)no1 ZINC000257311225 209073215 /nfs/dbraw/zinc/07/32/15/209073215.db2.gz UIMDIPOSCHJXRV-SFHVURJKSA-N 0 0 377.444 4.123 40 0 GIABRN Cc1noc(C)c1-c1cc(C)nc([C@H]2CCCCN2C(=O)c2ccc(O)cc2)n1 ZINC000257312809 209074248 /nfs/dbraw/zinc/07/42/48/209074248.db2.gz UPPQKJRFLZZROV-LJQANCHMSA-N 0 0 392.459 4.130 40 0 GIABRN COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cncs3)o2)c1 ZINC000257322645 209075744 /nfs/dbraw/zinc/07/57/44/209075744.db2.gz WGUSJAXMEHRCQD-QGZVFWFLSA-N 0 0 383.473 4.098 40 0 GIABRN C[C@]1(Cc2ccc(Cl)cc2)Cc2cc(CC(=O)NC3CCOCC3)ccc2O1 ZINC000257331521 209076490 /nfs/dbraw/zinc/07/64/90/209076490.db2.gz XTFQOUHSWMHQKX-QHCPKHFHSA-N 0 0 399.918 4.114 40 0 GIABRN CC(C)(O)C(=O)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072350131 222235969 /nfs/dbraw/zinc/23/59/69/222235969.db2.gz SDLBLTUZBWLCSU-HNNXBMFYSA-N 0 0 392.421 4.244 40 0 GIABRN Cn1ccnc1CN1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072350019 222236062 /nfs/dbraw/zinc/23/60/62/222236062.db2.gz VZAPARXRANANIE-SFHVURJKSA-N 0 0 380.923 4.439 40 0 GIABRN O=C(Cc1cccnc1)N1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000072349376 222236217 /nfs/dbraw/zinc/23/62/17/222236217.db2.gz VSJMRNGXZBWJLG-IBGZPJMESA-N 0 0 375.447 4.231 40 0 GIABRN COc1ccc(-c2cccc([C@H]3CCCN(C(=O)Cc4cccnc4)C3)n2)cc1 ZINC000072349382 222236611 /nfs/dbraw/zinc/23/66/11/222236611.db2.gz BWJAHJJQFANOMU-FQEVSTJZSA-N 0 0 387.483 4.101 40 0 GIABRN C[C@@H]1[C@H](c2ccc(N(C)C)cc2)c2cc3c(cc2O[C@@H]1N1CCCC1)OCO3 ZINC000073369901 222271174 /nfs/dbraw/zinc/27/11/74/222271174.db2.gz VEINRYGCKDRNLM-IEKZBVHVSA-N 0 0 380.488 4.064 40 0 GIABRN Cc1ccc(C)c(NC(=O)c2ccccc2N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)c1 ZINC000408680982 533684637 /nfs/dbraw/zinc/68/46/37/533684637.db2.gz ISKMFEZFCGQTTD-HKUYNNGSSA-N 0 0 388.467 4.401 40 0 GIABRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2cc(Cl)ccc2O)S1 ZINC000408801131 533881932 /nfs/dbraw/zinc/88/19/32/533881932.db2.gz UBYPJQWSZXJNAL-UHFFFAOYSA-N 0 0 396.275 4.471 40 0 GIABRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4ccc(F)cc4)o3)C2=O)cc1 ZINC000409249257 533911778 /nfs/dbraw/zinc/91/17/78/533911778.db2.gz SUMSJGIYDFHGKL-XDHOZWIPSA-N 0 0 376.387 4.487 40 0 GIABRN C[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000014399965 533934230 /nfs/dbraw/zinc/93/42/30/533934230.db2.gz WRLRZXXFEBNQQB-GFCCVEGCSA-N 0 0 385.863 4.435 40 0 GIABRN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccccc1 ZINC000408707928 534011190 /nfs/dbraw/zinc/01/11/90/534011190.db2.gz MRIDIMUDIMYUOE-DZGCQCFKSA-N 0 0 391.298 4.266 40 0 GIABRN Cc1cc(C)cc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)c1 ZINC000408670617 534082880 /nfs/dbraw/zinc/08/28/80/534082880.db2.gz IRCAHNQMDNYJAC-ZLGUVYLKSA-N 0 0 388.467 4.257 40 0 GIABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCCOC(C)C)cc1 ZINC000408675250 534183814 /nfs/dbraw/zinc/18/38/14/534183814.db2.gz GVRSDAYIZFCRDE-UHFFFAOYSA-N 0 0 378.472 4.029 40 0 GIABRN COc1ccccc1NC(=S)NC(=O)C=Cc1ccc(-c2ccccc2)o1 ZINC000408572269 534183632 /nfs/dbraw/zinc/18/36/32/534183632.db2.gz HVVSDSPEDCMBFW-WYMLVPIESA-N 0 0 378.453 4.482 40 0 GIABRN Cc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000409182302 534191920 /nfs/dbraw/zinc/19/19/20/534191920.db2.gz KGEAXWWSDYSDGX-UHFFFAOYSA-N 0 0 380.469 4.072 40 0 GIABRN Cc1ccc(-c2nnc(CN(C)C(=O)COc3cc(C)cc(C)c3C)o2)cc1 ZINC000408714282 534222359 /nfs/dbraw/zinc/22/23/59/534222359.db2.gz MXFLFIVNSQUINH-UHFFFAOYSA-N 0 0 379.460 4.008 40 0 GIABRN FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(NC3CC3)nc(C3CC3)n1)C2 ZINC000328965955 534407300 /nfs/dbraw/zinc/40/73/00/534407300.db2.gz CHIHRWIVOWCKNH-UHFFFAOYSA-N 0 0 390.409 4.390 40 0 GIABRN O=C(NCCc1ccccc1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408675424 534475112 /nfs/dbraw/zinc/47/51/12/534475112.db2.gz INXNQLHNRGRVNX-UHFFFAOYSA-N 0 0 386.426 4.287 40 0 GIABRN COc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1OC ZINC000020143225 523741415 /nfs/dbraw/zinc/74/14/15/523741415.db2.gz IMMYTPVZEYJLHL-UHFFFAOYSA-N 0 0 387.819 4.362 40 0 GIABRN Cc1cccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)c1C ZINC000408672513 534745219 /nfs/dbraw/zinc/74/52/19/534745219.db2.gz NKLBZJSIFCGONX-LSBZLQRGSA-N 0 0 390.483 4.481 40 0 GIABRN O=[N+]([O-])/C=C/c1ccc(OCc2ccc(I)cc2)cc1 ZINC000409002219 534878418 /nfs/dbraw/zinc/87/84/18/534878418.db2.gz ZFFQCTYAKRZHFW-MDZDMXLPSA-N 0 0 381.169 4.118 40 0 GIABRN CC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000408671225 527322094 /nfs/dbraw/zinc/32/20/94/527322094.db2.gz TVCSTADDAJMPLH-ZDUSSCGKSA-N 0 0 392.238 4.155 40 0 GIABRN CC1(C)OC(=O)C([C@@H](c2c[nH]c3ccccc32)c2ccc(Cl)cc2)C(=O)O1 ZINC000409121813 527794868 /nfs/dbraw/zinc/79/48/68/527794868.db2.gz YBDJRGSKYOTUOA-QGZVFWFLSA-N 0 0 383.831 4.406 40 0 GIABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccccc3)cc2s1 ZINC000017081563 527968554 /nfs/dbraw/zinc/96/85/54/527968554.db2.gz AKJOZURREOYTSK-UHFFFAOYSA-N 0 0 398.513 4.162 40 0 GIABRN CC(C)c1ccc(/C=C/C(=O)Nc2ccc(I)cn2)cc1 ZINC000408619982 528055957 /nfs/dbraw/zinc/05/59/57/528055957.db2.gz FQKUMIXAUCJGQE-BJMVGYQFSA-N 0 0 392.240 4.462 40 0 GIABRN CC(C)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000408553912 528115778 /nfs/dbraw/zinc/11/57/78/528115778.db2.gz RLZNPFXSXCYLKI-INIZCTEOSA-N 0 0 396.512 4.269 40 0 GIABRN CCCCCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccc(N(C)C)cc2)N1 ZINC000408958663 528116613 /nfs/dbraw/zinc/11/66/13/528116613.db2.gz ZUFUTOIBBUDQEX-GOSISDBHSA-N 0 0 385.430 4.176 40 0 GIABRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(Cl)c3)C(=O)[C@H]2C1 ZINC000408681949 528123214 /nfs/dbraw/zinc/12/32/14/528123214.db2.gz JVZRRHYUVAIPJM-WMZOPIPTSA-N 0 0 394.858 4.438 40 0 GIABRN CCCN1C(=O)C(=Cc2ccc(OCC)c3cccc(OCC)c23)NC1=S ZINC000409082296 528162064 /nfs/dbraw/zinc/16/20/64/528162064.db2.gz PRPIEJIUEIATTK-SSZFMOIBSA-N 0 0 384.501 4.105 40 0 GIABRN CC(C)Oc1ccc(N2C[C@H](C(=O)NCc3ccc(C(C)C)cc3)CC2=O)cc1 ZINC000408706927 528175434 /nfs/dbraw/zinc/17/54/34/528175434.db2.gz FEVWOANHMRLNSJ-HXUWFJFHSA-N 0 0 394.515 4.267 40 0 GIABRN CCCCCOc1ccc(NC(=O)C(=O)NCc2ccccc2OC(C)C)cc1 ZINC000408708511 528235929 /nfs/dbraw/zinc/23/59/29/528235929.db2.gz JFTAOJBDXHVBCP-UHFFFAOYSA-N 0 0 398.503 4.298 40 0 GIABRN CC1CCN(c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000408708301 528269759 /nfs/dbraw/zinc/26/97/59/528269759.db2.gz OYVJDZFVOVQIMW-KRWDZBQOSA-N 0 0 395.478 4.054 40 0 GIABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000006709386 528392568 /nfs/dbraw/zinc/39/25/68/528392568.db2.gz VVDURYKDJFSCDL-UHFFFAOYSA-N 0 0 377.469 4.315 40 0 GIABRN CCC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 ZINC000408707045 528490304 /nfs/dbraw/zinc/49/03/04/528490304.db2.gz GLQGBNCGEAZVRN-WWDZGPRUSA-N 0 0 386.536 4.159 40 0 GIABRN CCOC(=O)C(=O)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000408973777 528547479 /nfs/dbraw/zinc/54/74/79/528547479.db2.gz BPHYYDPDPYSJMB-UHFFFAOYSA-N 0 0 397.434 4.465 40 0 GIABRN CCCCNC(=O)c1ccccc1NC(=O)CCCOc1ccc(OC)cc1 ZINC000408705530 528553424 /nfs/dbraw/zinc/55/34/24/528553424.db2.gz IAMKJUAPGZVQPJ-UHFFFAOYSA-N 0 0 384.476 4.023 40 0 GIABRN CCOc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1Cl ZINC000408598220 528575088 /nfs/dbraw/zinc/57/50/88/528575088.db2.gz YCQQACAGOOVYTB-UHFFFAOYSA-N 0 0 393.936 4.382 40 0 GIABRN CCOc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1NC(=O)CC ZINC000408696879 528587007 /nfs/dbraw/zinc/58/70/07/528587007.db2.gz FPPCMNYZGXQPBZ-UHFFFAOYSA-N 0 0 390.505 4.160 40 0 GIABRN CCCCSC1=N[C@@H](c2ccccc2OCC)C(C(=O)OCC)=C(C)N1 ZINC000408985814 528729442 /nfs/dbraw/zinc/72/94/42/528729442.db2.gz BBMYSDIYPSLTGO-SFHVURJKSA-N 0 0 376.522 4.456 40 0 GIABRN CCCc1sc(NC(=O)c2cccnc2)nc1-c1ccc(OC)c(OC)c1 ZINC000408836929 528807263 /nfs/dbraw/zinc/80/72/63/528807263.db2.gz XBBKSEAACKRNEA-UHFFFAOYSA-N 0 0 383.473 4.427 40 0 GIABRN CCC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000409349789 528894050 /nfs/dbraw/zinc/89/40/50/528894050.db2.gz UTZDGQMSTVJBFZ-QGZVFWFLSA-N 0 0 388.533 4.033 40 0 GIABRN CC1(C)Oc2ccc(C(=O)NC3CCCC3)cc2N(Cc2ccccc2F)C1=O ZINC000001342323 535004032 /nfs/dbraw/zinc/00/40/32/535004032.db2.gz UUZCKKYQJCNPRY-UHFFFAOYSA-N 0 0 396.462 4.202 40 0 GIABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000222986335 536044722 /nfs/dbraw/zinc/04/47/22/536044722.db2.gz HZCKGXBNFWETOX-NRFANRHFSA-N 0 0 386.923 4.463 40 0 GIABRN O=C(Nc1ccc(F)cc1)N1CC[C@H]2CC(=O)N(c3ccccc3)CC[C@H]2C1 ZINC000015672961 560230564 /nfs/dbraw/zinc/23/05/64/560230564.db2.gz UNKOIHISTMZBLI-IRXDYDNUSA-N 0 0 381.451 4.123 40 0 biogenic,in-vitro GIABRN Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(Cl)cc3)n2)cc1F ZINC000015674300 560230934 /nfs/dbraw/zinc/23/09/34/560230934.db2.gz APNBJLJAUFSYRY-AEFFLSMTSA-N 0 0 387.842 4.145 40 0 biogenic,in-vitro GIABRN Cc1c(F)cccc1Nc1cc(-c2ccccn2)nc(NC2CCCCC2)n1 ZINC000328985340 570210784 /nfs/dbraw/zinc/21/07/84/570210784.db2.gz HSXLWUYROMGZEY-UHFFFAOYSA-N 0 0 377.467 4.318 40 0 GIABRN Cc1cc(Nc2cc(-c3cccnc3)nc(N[C@H](CO)C(C)C)n2)ccc1F ZINC000329000712 570211497 /nfs/dbraw/zinc/21/14/97/570211497.db2.gz KCHWUWATQCUZJC-LJQANCHMSA-N 0 0 381.455 4.159 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(C(F)(F)F)n1 ZINC000329022583 570213399 /nfs/dbraw/zinc/21/33/99/570213399.db2.gz ONHJWRMZAWDTIG-VIFPVBQESA-N 0 0 394.319 4.192 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(Nc2ccccc2Cl)cc(-c2ccccc2)n1 ZINC000329039201 570214046 /nfs/dbraw/zinc/21/40/46/570214046.db2.gz RXKQEZWXBNOISS-IBGZPJMESA-N 0 0 382.895 4.391 40 0 GIABRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C2=O)c(C)c1 ZINC000005092828 570222739 /nfs/dbraw/zinc/22/27/39/570222739.db2.gz XHLBOAOLNLRFDC-ZRBLBEILSA-N 0 0 398.462 4.355 40 0 GIABRN Cc1cc(NC(=S)NC(=O)C=Cc2ccccc2)ccc1-c1ccc(CO)o1 ZINC000020153724 570245098 /nfs/dbraw/zinc/24/50/98/570245098.db2.gz GHTYBOSDHGMPGW-KPKJPENVSA-N 0 0 392.480 4.274 40 0 GIABRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccccc3C)C2=O)cc1 ZINC000005215534 570250424 /nfs/dbraw/zinc/25/04/24/570250424.db2.gz NTWYOLBMNRGCRN-ZLNRFVROSA-N 0 0 398.462 4.355 40 0 GIABRN O=C(/C=C/c1cccnc1)N1CCC[C@H](c2csc(Nc3ccccn3)n2)C1 ZINC000585291576 570260361 /nfs/dbraw/zinc/26/03/61/570260361.db2.gz AIIIYSCNMJBZOM-IJDCCNJMSA-N 0 0 391.500 4.096 40 0 GIABRN Cc1nc(/C=C/C(=O)N2CCC[C@H]2c2csc(Nc3ccccn3)n2)cs1 ZINC000585292009 570261050 /nfs/dbraw/zinc/26/10/50/570261050.db2.gz WRALUNCBCQRVLG-WAVCKPEOSA-N 0 0 397.529 4.424 40 0 GIABRN COc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000020529004 570262413 /nfs/dbraw/zinc/26/24/13/570262413.db2.gz AUOODPHINRSGGA-UHFFFAOYSA-N 0 0 392.249 4.275 40 0 GIABRN O=C(Nc1cccc(-c2ccc3nnc(-c4cccnc4)n3n2)c1)C1CCCCC1 ZINC000005169128 570275893 /nfs/dbraw/zinc/27/58/93/570275893.db2.gz JQOJAJSIFVHJMC-UHFFFAOYSA-N 0 0 398.470 4.372 40 0 GIABRN Cc1cc(C)cc(OCC(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1 ZINC000020610431 570280614 /nfs/dbraw/zinc/28/06/14/570280614.db2.gz MZWWQRPXIBZMOY-UHFFFAOYSA-N 0 0 390.418 4.194 40 0 GIABRN COc1cccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@@H]4CCC[C@@H]4[C@@H]3C2=O)c1 ZINC000102977544 570293714 /nfs/dbraw/zinc/29/37/14/570293714.db2.gz OHMBYDILZVAUPW-QMKUDKLTSA-N 0 0 386.451 4.347 40 0 GIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCSc1ccc(Cl)cc1 ZINC000216333950 570299280 /nfs/dbraw/zinc/29/92/80/570299280.db2.gz QDHJNZUDCJPQEX-GOSISDBHSA-N 0 0 379.909 4.415 40 0 GIABRN COc1ccc([C@@H](C)NC(=O)CSCc2ccccc2Cl)cc1OC ZINC000216336579 570299357 /nfs/dbraw/zinc/29/93/57/570299357.db2.gz ZDUQLKBZTGDQCU-CYBMUJFWSA-N 0 0 379.909 4.468 40 0 GIABRN Cc1cccc(NC(=O)CSc2nnc(COc3ccccc3Cl)o2)c1 ZINC000003364797 570300158 /nfs/dbraw/zinc/30/01/58/570300158.db2.gz OFYFUMCTHIPONW-UHFFFAOYSA-N 0 0 389.864 4.341 40 0 GIABRN C[C@H](NC(=O)c1cccc(CN2CCOCC2)c1)c1ccc(C(C)(C)C)cc1 ZINC000216393508 570300506 /nfs/dbraw/zinc/30/05/06/570300506.db2.gz GDDFTFOMZWVNFV-SFHVURJKSA-N 0 0 380.532 4.307 40 0 GIABRN COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 ZINC000216436603 570301793 /nfs/dbraw/zinc/30/17/93/570301793.db2.gz PEOQALAAGAKXLH-NSHDSACASA-N 0 0 381.881 4.485 40 0 GIABRN COc1ccc(Br)cc1C(=O)Nc1c2nsnc2ccc1Cl ZINC000021595343 570307068 /nfs/dbraw/zinc/30/70/68/570307068.db2.gz HDILYPRMJNBSBE-UHFFFAOYSA-N 0 0 398.669 4.368 40 0 GIABRN O=S1(=O)CC[C@H](N(Cc2ccccc2)C(c2ccccc2)c2ccccc2)C1 ZINC000575420076 570307277 /nfs/dbraw/zinc/30/72/77/570307277.db2.gz FHSIOCHJBWKQOJ-QHCPKHFHSA-N 0 0 391.536 4.465 40 0 GIABRN CCN(CC)c1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000072212874 570313736 /nfs/dbraw/zinc/31/37/36/570313736.db2.gz ATNODAIIDUQHDD-FQEVSTJZSA-N 0 0 387.549 4.152 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(NCC(C)C)nc2)cc1 ZINC000072213352 570314252 /nfs/dbraw/zinc/31/42/52/570314252.db2.gz CCPMMILOQCBLIA-HXUWFJFHSA-N 0 0 387.549 4.374 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2N2CCCCCC2)cc1 ZINC000072216712 570317919 /nfs/dbraw/zinc/31/79/19/570317919.db2.gz CMWMYOSKVDFQRL-NRFANRHFSA-N 0 0 399.560 4.296 40 0 GIABRN Cc1cc(N2CCOCC2)ncc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072219431 570318315 /nfs/dbraw/zinc/31/83/15/570318315.db2.gz FHNUYLVAHZRSMV-OAQYLSRUSA-N 0 0 395.503 4.090 40 0 GIABRN CCc1ccc(N(CCCC(=O)Nc2cccc(C)c2C)S(C)(=O)=O)cc1 ZINC000113962561 570337015 /nfs/dbraw/zinc/33/70/15/570337015.db2.gz KNQRLINJUNXMMH-UHFFFAOYSA-N 0 0 388.533 4.051 40 0 GIABRN CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000113967343 570337989 /nfs/dbraw/zinc/33/79/89/570337989.db2.gz RHEZDSPPMGNXAL-GOSISDBHSA-N 0 0 392.496 4.132 40 0 GIABRN CCc1ccc(NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000113968152 570338756 /nfs/dbraw/zinc/33/87/56/570338756.db2.gz GYGGKDHXAHOEGM-UHFFFAOYSA-N 0 0 388.533 4.051 40 0 GIABRN CC[C@@H](NC(=O)c1ccc(N(CC)S(=O)(=O)CC)cc1)c1ccc(C)cc1 ZINC000113971650 570338999 /nfs/dbraw/zinc/33/89/99/570338999.db2.gz KSIXNLDONJDTQO-HXUWFJFHSA-N 0 0 388.533 4.052 40 0 GIABRN Cc1cc(OCC(=O)NCCCc2ccc(F)cc2)cc(C)c1Br ZINC000218840063 570342158 /nfs/dbraw/zinc/34/21/58/570342158.db2.gz FNEQPFQGMHWOMU-UHFFFAOYSA-N 0 0 394.284 4.333 40 0 GIABRN CCN(CC)C(=O)c1ccccc1NC(=O)CSCc1ccc(OC)cc1 ZINC000408575715 570342602 /nfs/dbraw/zinc/34/26/02/570342602.db2.gz PTYRNWAVBUPSPD-UHFFFAOYSA-N 0 0 386.517 4.049 40 0 GIABRN CCOc1ccc(CCCNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000218924505 570343830 /nfs/dbraw/zinc/34/38/30/570343830.db2.gz RFZLSFSTORCWGL-UHFFFAOYSA-N 0 0 375.896 4.483 40 0 GIABRN COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1OC ZINC000219028601 570346123 /nfs/dbraw/zinc/34/61/23/570346123.db2.gz ZTNDAKKCBAAQPV-QGZVFWFLSA-N 0 0 393.483 4.373 40 0 GIABRN COc1cc(CNC(=O)[C@H](C)Oc2ccccc2Cl)ccc1OC(C)C ZINC000219052949 570346989 /nfs/dbraw/zinc/34/69/89/570346989.db2.gz KGZMHWHPDVDARM-AWEZNQCLSA-N 0 0 377.868 4.220 40 0 GIABRN Cc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3cccc4ccccc43)n2)c1 ZINC000219048387 570347036 /nfs/dbraw/zinc/34/70/36/570347036.db2.gz WIWVJJCJTIXKFA-MRXNPFEDSA-N 0 0 387.439 4.282 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NC3CCCCCC3)c2)c1 ZINC000003569891 570348518 /nfs/dbraw/zinc/34/85/18/570348518.db2.gz DFHCQGWAAKJSFY-UHFFFAOYSA-N 0 0 386.517 4.248 40 0 GIABRN COc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)c1 ZINC000006235334 570349445 /nfs/dbraw/zinc/34/94/45/570349445.db2.gz IZSHNZFMKGATSO-UHFFFAOYSA-N 0 0 389.908 4.076 40 0 GIABRN O=C(NCCSCc1cccc(Cl)c1)c1cccc(N2CCCC2=O)c1 ZINC000219208400 570349732 /nfs/dbraw/zinc/34/97/32/570349732.db2.gz ICRCJUGURIZPLK-UHFFFAOYSA-N 0 0 388.920 4.130 40 0 GIABRN O=C(CSCc1ccc(F)cc1)NCc1nc(-c2ccccc2Cl)no1 ZINC000219263632 570350774 /nfs/dbraw/zinc/35/07/74/570350774.db2.gz BJPLQIUNALLLCT-UHFFFAOYSA-N 0 0 391.855 4.079 40 0 GIABRN CCc1ccccc1O[C@@H](C)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219295533 570351515 /nfs/dbraw/zinc/35/15/15/570351515.db2.gz LJPSMDJLBNXBQZ-KXBFYZLASA-N 0 0 383.488 4.444 40 0 GIABRN CCc1ccccc1O[C@H](C)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000219297190 570351867 /nfs/dbraw/zinc/35/18/67/570351867.db2.gz PBGXYRLMODNIRL-CQSZACIVSA-N 0 0 399.878 4.378 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cccc(C)c3C)n2)c1 ZINC000219311763 570354001 /nfs/dbraw/zinc/35/40/01/570354001.db2.gz DEEAMVSJFISTAF-KRWDZBQOSA-N 0 0 379.460 4.088 40 0 GIABRN CC[C@@H](NC(=O)[C@H](CC)Oc1ccc(F)cc1)c1ccc(OC)c(OC)c1 ZINC000219328394 570355100 /nfs/dbraw/zinc/35/51/00/570355100.db2.gz NJCHRSRSGJWUCV-MSOLQXFVSA-N 0 0 375.440 4.268 40 0 GIABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000219381380 570357663 /nfs/dbraw/zinc/35/76/63/570357663.db2.gz CQSKEZYFKNWTKQ-KRWDZBQOSA-N 0 0 399.878 4.481 40 0 GIABRN COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000057315746 570360439 /nfs/dbraw/zinc/36/04/39/570360439.db2.gz MXCTYQNXTWBSPP-UHFFFAOYSA-N 0 0 385.272 4.137 40 0 GIABRN Cc1cc(C)cc(-c2nnc(SCC(=O)N3CCc4ccccc4C3)o2)c1 ZINC000004188357 570361951 /nfs/dbraw/zinc/36/19/51/570361951.db2.gz HQMQQMWGDXTLGF-UHFFFAOYSA-N 0 0 379.485 4.030 40 0 GIABRN CSc1nc2sc(C(=O)NCc3ccccc3)cc2c(N2CCCCC2)n1 ZINC000408618285 570365128 /nfs/dbraw/zinc/36/51/28/570365128.db2.gz FUIHFBVATYLLBI-UHFFFAOYSA-N 0 0 398.557 4.334 40 0 GIABRN CC[C@H](c1nnnn1C1CCCCC1)N1CCN(c2cccc(C)c2C)CC1 ZINC000057669449 570366596 /nfs/dbraw/zinc/36/65/96/570366596.db2.gz OVHIYDBBXMTWOK-HXUWFJFHSA-N 0 0 382.556 4.068 40 0 GIABRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](N5CC5)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118924039 570368059 /nfs/dbraw/zinc/36/80/59/570368059.db2.gz LEWNLHKUUYCCDG-KFGZADJESA-N 0 0 399.575 4.380 40 0 GIABRN COc1ccc(CCN2CCOc3nc4c(ccc(C)c4C)cc3C2)cc1OC ZINC000057718904 570370899 /nfs/dbraw/zinc/37/08/99/570370899.db2.gz GVONOKYZGASRAI-UHFFFAOYSA-N 0 0 392.499 4.306 40 0 GIABRN Cc1cccc(CCCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 ZINC000219682892 570372868 /nfs/dbraw/zinc/37/28/68/570372868.db2.gz YQZZTZQKLSDLGY-OAHLLOKOSA-N 0 0 376.294 4.274 40 0 GIABRN CCCC[C@H](CC)C(=O)OCCNC(=O)[C@@H](C)OC(=O)[C@@H](CC)CCCC ZINC000004428345 570375166 /nfs/dbraw/zinc/37/51/66/570375166.db2.gz XPCZYYMXPSFVJU-SQNIBIBYSA-N 0 0 385.545 4.010 40 0 GIABRN COc1ccc(O)c(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000408626797 570379033 /nfs/dbraw/zinc/37/90/33/570379033.db2.gz IJKJDMAKNTZJOJ-UHFFFAOYSA-N 0 0 392.480 4.046 40 0 GIABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc(Cl)c2)c(F)c1F ZINC000408627143 570379328 /nfs/dbraw/zinc/37/93/28/570379328.db2.gz KTBYFLNOHHUCKI-UHFFFAOYSA-N 0 0 392.761 4.032 40 0 GIABRN CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)CC(C)C)cc3n2)cc1 ZINC000408627550 570379908 /nfs/dbraw/zinc/37/99/08/570379908.db2.gz LNCHRMBOONIYMW-UHFFFAOYSA-N 0 0 395.532 4.150 40 0 GIABRN Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(N2CCCC[C@H]2C)cc1 ZINC000408628953 570381227 /nfs/dbraw/zinc/38/12/27/570381227.db2.gz YPACJOULITZJQB-QGZVFWFLSA-N 0 0 397.544 4.266 40 0 GIABRN CC(C)COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 ZINC000408629166 570381683 /nfs/dbraw/zinc/38/16/83/570381683.db2.gz NHTICNAUAYYQBL-ZDUSSCGKSA-N 0 0 386.517 4.259 40 0 GIABRN CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220558457 570388572 /nfs/dbraw/zinc/38/85/72/570388572.db2.gz LIWUJEMITRJZCV-FQEVSTJZSA-N 0 0 388.533 4.104 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc21 ZINC000222438728 570410842 /nfs/dbraw/zinc/41/08/42/570410842.db2.gz CUDIBXIIWPDTIY-LJQANCHMSA-N 0 0 388.511 4.244 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000222444828 570410985 /nfs/dbraw/zinc/41/09/85/570410985.db2.gz NXQOWOKBRNIDIO-LJQANCHMSA-N 0 0 398.572 4.008 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C ZINC000222457190 570411151 /nfs/dbraw/zinc/41/11/51/570411151.db2.gz SIDCEFJFIMLYGX-QFIPXVFZSA-N 0 0 380.532 4.178 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222472309 570411616 /nfs/dbraw/zinc/41/16/16/570411616.db2.gz GTZYTMYKXFLRKY-IBGZPJMESA-N 0 0 394.559 4.388 40 0 GIABRN CC(C)c1ccccc1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl ZINC000222496216 570412739 /nfs/dbraw/zinc/41/27/39/570412739.db2.gz BNAAMWSDIISGJZ-UHFFFAOYSA-N 0 0 380.897 4.112 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 ZINC000222503763 570413012 /nfs/dbraw/zinc/41/30/12/570413012.db2.gz NPYFNRPJUDOGKM-OAQYLSRUSA-N 0 0 384.495 4.009 40 0 GIABRN Cc1cccc(C(C)C)c1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl ZINC000222515749 570413372 /nfs/dbraw/zinc/41/33/72/570413372.db2.gz NBTRCDWKPRJMDG-UHFFFAOYSA-N 0 0 394.924 4.420 40 0 GIABRN Cc1cccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c1C ZINC000222528927 570413511 /nfs/dbraw/zinc/41/35/11/570413511.db2.gz IJKKYAVLUJAHIW-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN COc1cccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1OC(C)C ZINC000222575709 570415041 /nfs/dbraw/zinc/41/50/41/570415041.db2.gz PPWNVTGPKAKARE-KYNGSXCRSA-N 0 0 383.517 4.467 40 0 GIABRN COc1cccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1OC(C)C ZINC000222575647 570415150 /nfs/dbraw/zinc/41/51/50/570415150.db2.gz PPWNVTGPKAKARE-GDIGMMSISA-N 0 0 383.517 4.467 40 0 GIABRN C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(O)c(Br)c2)S1 ZINC000222581893 570415307 /nfs/dbraw/zinc/41/53/07/570415307.db2.gz BIWQGFPRHSJLBX-HNHYXYPQSA-N 0 0 390.306 4.139 40 0 GIABRN C#CCOc1c(Cl)cc(C=NNc2ccc(C(F)(F)F)cn2)cc1OC ZINC000007008856 570416197 /nfs/dbraw/zinc/41/61/97/570416197.db2.gz JJQYXHATUXLCAW-NUGSKGIGSA-N 0 0 383.757 4.220 40 0 GIABRN COc1cc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2)c(OC)cc1Cl ZINC000222617806 570416929 /nfs/dbraw/zinc/41/69/29/570416929.db2.gz FPROPVFGGNITTK-UHFFFAOYSA-N 0 0 387.798 4.206 40 0 GIABRN Cc1nc2cc(-c3ccc(F)cc3)nn2c(NC[C@@H](O)c2cccc(O)c2)c1C ZINC000004966836 570420061 /nfs/dbraw/zinc/42/00/61/570420061.db2.gz KJGPJPFJOWWPNH-HXUWFJFHSA-N 0 0 392.434 4.003 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(CCOC)c3C)N21 ZINC000222694057 570421023 /nfs/dbraw/zinc/42/10/23/570421023.db2.gz RFEGYSZMCYBGIJ-NSISKUIASA-N 0 0 384.549 4.126 40 0 GIABRN Cc1cc(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc(C)c1Cl ZINC000222693256 570421064 /nfs/dbraw/zinc/42/10/64/570421064.db2.gz UZOMHCJBXZSZGJ-CABCVRRESA-N 0 0 389.879 4.373 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3Cc3ccccn3)N21 ZINC000222710957 570421821 /nfs/dbraw/zinc/42/18/21/570421821.db2.gz RJUSZUDLJUIPMG-DUXKGJEZSA-N 0 0 389.528 4.306 40 0 GIABRN Cc1cc(C)cc(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222712022 570421914 /nfs/dbraw/zinc/42/19/14/570421914.db2.gz MNXFZUPWAGCNKG-HXUWFJFHSA-N 0 0 394.559 4.486 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1ccccc1F ZINC000222713870 570422135 /nfs/dbraw/zinc/42/21/35/570422135.db2.gz XFLLLZVQDBVHRG-UHFFFAOYSA-N 0 0 391.493 4.219 40 0 GIABRN COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)ccc1Cl ZINC000222845506 570428615 /nfs/dbraw/zinc/42/86/15/570428615.db2.gz PTKNAIPXSGPRGE-NSHDSACASA-N 0 0 382.243 4.494 40 0 GIABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 ZINC000222841152 570428699 /nfs/dbraw/zinc/42/86/99/570428699.db2.gz VLSZSVXGLNQSBP-WOJBJXKFSA-N 0 0 380.492 4.392 40 0 GIABRN CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 ZINC000222881503 570429897 /nfs/dbraw/zinc/42/98/97/570429897.db2.gz FWFQRPVYACVYKT-NRFANRHFSA-N 0 0 382.504 4.431 40 0 GIABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 ZINC000222932573 570432045 /nfs/dbraw/zinc/43/20/45/570432045.db2.gz GSKOHPTUSOMOBP-LEWJYISDSA-N 0 0 392.528 4.206 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000222946890 570432600 /nfs/dbraw/zinc/43/26/00/570432600.db2.gz XKKNWWXGSJHGEA-HSZRJFAPSA-N 0 0 394.559 4.220 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222958182 570433257 /nfs/dbraw/zinc/43/32/57/570433257.db2.gz LRPNARCUZUMNIK-JOCHJYFZSA-N 0 0 380.532 4.296 40 0 GIABRN CCOC(=O)C1(c2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2)CC1 ZINC000222975059 570434385 /nfs/dbraw/zinc/43/43/85/570434385.db2.gz NBMGQOJLXNTJAD-UHFFFAOYSA-N 0 0 387.501 4.007 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl ZINC000222993917 570435670 /nfs/dbraw/zinc/43/56/70/570435670.db2.gz DIMLKXXKCOMDAU-QGZVFWFLSA-N 0 0 386.923 4.216 40 0 GIABRN C[C@@H](Oc1cccc2ccccc21)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000223003696 570436693 /nfs/dbraw/zinc/43/66/93/570436693.db2.gz RZXHWTJDYSVLJY-LJQANCHMSA-N 0 0 389.495 4.472 40 0 GIABRN Cc1ccccc1C(=O)OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000007939760 570436805 /nfs/dbraw/zinc/43/68/05/570436805.db2.gz RHKBVDHSNBYNKW-UHFFFAOYSA-N 0 0 376.250 4.170 40 0 GIABRN Cc1ccc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1Cl ZINC000005439693 570439295 /nfs/dbraw/zinc/43/92/95/570439295.db2.gz UEOHCWHPTSBPCE-UHFFFAOYSA-N 0 0 392.908 4.139 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 ZINC000223043932 570439516 /nfs/dbraw/zinc/43/95/16/570439516.db2.gz VHKYWNAGVDOUKD-FQEVSTJZSA-N 0 0 380.532 4.180 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000223061568 570441083 /nfs/dbraw/zinc/44/10/83/570441083.db2.gz KCPKVQGFPRTRBS-OAQYLSRUSA-N 0 0 398.572 4.090 40 0 GIABRN CC[C@H]1C[C@H](CNC(=O)Nc2ccc(I)cc2)C1(C)C ZINC000005469094 570441287 /nfs/dbraw/zinc/44/12/87/570441287.db2.gz UIAJZRNLRIXGIP-NWDGAFQWSA-N 0 0 386.277 4.485 40 0 GIABRN C[C@H]1Cc2cccc3c2n1cc(C(=O)N1CCC(Cc2ccccc2)CC1)c3=O ZINC000223096233 570443168 /nfs/dbraw/zinc/44/31/68/570443168.db2.gz RWXVYRMQPJVTLW-KRWDZBQOSA-N 0 0 386.495 4.214 40 0 GIABRN C[C@@H]1Cc2cccc3c2n1cc(C(=O)N1CCC(Cc2ccccc2)CC1)c3=O ZINC000223096171 570443255 /nfs/dbraw/zinc/44/32/55/570443255.db2.gz RWXVYRMQPJVTLW-QGZVFWFLSA-N 0 0 386.495 4.214 40 0 GIABRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O ZINC000223118037 570444165 /nfs/dbraw/zinc/44/41/65/570444165.db2.gz FNYIMMZYUPXTCD-OAQYLSRUSA-N 0 0 386.923 4.216 40 0 GIABRN COc1ccc([C@@H]2SCC(=O)N2Nc2ccccc2)cc1Br ZINC000039377172 570444429 /nfs/dbraw/zinc/44/44/29/570444429.db2.gz FMTQKOVIBHOSPH-INIZCTEOSA-N 0 0 379.279 4.059 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)CCCC2 ZINC000223157104 570447216 /nfs/dbraw/zinc/44/72/16/570447216.db2.gz MZVRTVCONFVXLS-MRXNPFEDSA-N 0 0 380.488 4.111 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1C ZINC000223178425 570448130 /nfs/dbraw/zinc/44/81/30/570448130.db2.gz MNPOTVILYAOILI-NRFANRHFSA-N 0 0 380.532 4.260 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223181559 570448563 /nfs/dbraw/zinc/44/85/63/570448563.db2.gz GZYUKBVHOGDUOQ-FQEVSTJZSA-N 0 0 386.923 4.053 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1F ZINC000223178862 570448651 /nfs/dbraw/zinc/44/86/51/570448651.db2.gz ZQPWMSSMUVAEMZ-HXUWFJFHSA-N 0 0 384.495 4.090 40 0 GIABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Cc1cccc(Cl)c1 ZINC000223205117 570449784 /nfs/dbraw/zinc/44/97/84/570449784.db2.gz DUADLQRKQKTTQS-UHFFFAOYSA-N 0 0 376.243 4.245 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 ZINC000223222592 570450572 /nfs/dbraw/zinc/45/05/72/570450572.db2.gz FOWRUMUQGSYRBC-OAQYLSRUSA-N 0 0 398.522 4.399 40 0 GIABRN O=C(CSc1nnc2c(n1)-c1cccc3cccc-2c13)NC1CCCCC1 ZINC000035288807 570455892 /nfs/dbraw/zinc/45/58/92/570455892.db2.gz DDSLNBFRKXELLV-UHFFFAOYSA-N 0 0 376.485 4.213 40 0 GIABRN CCOc1ccc(Nc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)cc1 ZINC000242655796 570456602 /nfs/dbraw/zinc/45/66/02/570456602.db2.gz CSHUFMGULVWVHN-UHFFFAOYSA-N 0 0 377.492 4.259 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)NC(C)C ZINC000223302443 570457168 /nfs/dbraw/zinc/45/71/68/570457168.db2.gz NUKJANPDHNIXHN-JOCHJYFZSA-N 0 0 394.515 4.500 40 0 GIABRN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC2=CCCCC2)cc1 ZINC000223331003 570459117 /nfs/dbraw/zinc/45/91/17/570459117.db2.gz JWFLXDZEGMZJPI-PGMHBOJBSA-N 0 0 378.472 4.366 40 0 GIABRN COc1cc(OC)cc(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)c1 ZINC000226300124 570459316 /nfs/dbraw/zinc/45/93/16/570459316.db2.gz LUBMOWSPXJCXJP-UHFFFAOYSA-N 0 0 386.864 4.114 40 0 GIABRN CCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000223339915 570459974 /nfs/dbraw/zinc/45/99/74/570459974.db2.gz OMMNJICYXUKGHB-QFIPXVFZSA-N 0 0 376.456 4.076 40 0 GIABRN O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)Nc1ccccc1 ZINC000035291484 570460306 /nfs/dbraw/zinc/46/03/06/570460306.db2.gz VZIQFWDKYSJELS-UHFFFAOYSA-N 0 0 396.497 4.379 40 0 GIABRN Cc1cc(NC(=S)NC(=O)C(C)C)ccc1NC(=O)c1cc2ccccc2o1 ZINC000005894907 570460687 /nfs/dbraw/zinc/46/06/87/570460687.db2.gz AQFIEWOSDXUPAH-UHFFFAOYSA-N 0 0 395.484 4.463 40 0 GIABRN Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc2c3ccccc3n(C)c2n1 ZINC000035291990 570460978 /nfs/dbraw/zinc/46/09/78/570460978.db2.gz CNRGKDGKHBHCIX-CQSZACIVSA-N 0 0 391.500 4.253 40 0 GIABRN COc1cc(CO)cc(Br)c1OC(=O)c1cccc2ccccc21 ZINC000226364661 570460988 /nfs/dbraw/zinc/46/09/88/570460988.db2.gz SYOBKJDLCRJNSY-UHFFFAOYSA-N 0 0 387.229 4.322 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000223407905 570464262 /nfs/dbraw/zinc/46/42/62/570464262.db2.gz OXLFNQFDFIQROG-OAQYLSRUSA-N 0 0 398.522 4.480 40 0 GIABRN COc1ccc(CSCC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000223433108 570465949 /nfs/dbraw/zinc/46/59/49/570465949.db2.gz YBUDFTGSDDEUAE-UHFFFAOYSA-N 0 0 387.545 4.421 40 0 GIABRN CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1 ZINC000223455804 570466943 /nfs/dbraw/zinc/46/69/43/570466943.db2.gz BSQHOSNKHBMXKZ-WOJBJXKFSA-N 0 0 391.544 4.206 40 0 GIABRN CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1 ZINC000223455890 570467107 /nfs/dbraw/zinc/46/71/07/570467107.db2.gz BSQHOSNKHBMXKZ-VQTJNVASSA-N 0 0 391.544 4.206 40 0 GIABRN CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C ZINC000223456666 570467113 /nfs/dbraw/zinc/46/71/13/570467113.db2.gz BYCZVCHJOLRPCR-RTWAWAEBSA-N 0 0 391.544 4.088 40 0 GIABRN O=C(CSc1nnc(NC(=O)C2CCC2)s1)Nc1cccc2ccccc21 ZINC000035312269 570467411 /nfs/dbraw/zinc/46/74/11/570467411.db2.gz AFMWUVBBFQLGIR-UHFFFAOYSA-N 0 0 398.513 4.161 40 0 GIABRN O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 ZINC000035312993 570467816 /nfs/dbraw/zinc/46/78/16/570467816.db2.gz MCHCCGBFTUWPJE-QGZVFWFLSA-N 0 0 381.451 4.197 40 0 GIABRN COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)ccc1Cl ZINC000223493898 570468590 /nfs/dbraw/zinc/46/85/90/570468590.db2.gz REKOGFLYPDRTJN-CQSZACIVSA-N 0 0 395.908 4.091 40 0 GIABRN COc1ccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1OC ZINC000035314166 570468633 /nfs/dbraw/zinc/46/86/33/570468633.db2.gz WDURVTTYPSRAPZ-UHFFFAOYSA-N 0 0 397.500 4.169 40 0 GIABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCOc1cccc2ccccc21 ZINC000223539597 570469999 /nfs/dbraw/zinc/46/99/99/570469999.db2.gz LLNGQRPBOCAQDF-NRFANRHFSA-N 0 0 379.456 4.201 40 0 GIABRN Cc1cc2ncn(CCC(=O)Nc3nnc(-c4ccccc4F)s3)c2cc1C ZINC000035316911 570470447 /nfs/dbraw/zinc/47/04/47/570470447.db2.gz SPFHOCMYHHVEPH-UHFFFAOYSA-N 0 0 395.463 4.340 40 0 GIABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCC(C)C)c1ccccc1 ZINC000223549100 570470811 /nfs/dbraw/zinc/47/08/11/570470811.db2.gz CJSTUTZZDAFROH-QHCPKHFHSA-N 0 0 396.531 4.337 40 0 GIABRN COc1ccc(CN(C(=O)C(C)C)[C@@H](C(=O)NCC(C)C)c2ccccc2)cc1 ZINC000223553591 570471154 /nfs/dbraw/zinc/47/11/54/570471154.db2.gz MTERNUXATBZKEG-JOCHJYFZSA-N 0 0 396.531 4.193 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 ZINC000223604736 570473767 /nfs/dbraw/zinc/47/37/67/570473767.db2.gz KAXMDHUWZARRAK-JOCHJYFZSA-N 0 0 396.531 4.098 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 ZINC000223655088 570476937 /nfs/dbraw/zinc/47/69/37/570476937.db2.gz HIKXYOHEADAMCB-JOCHJYFZSA-N 0 0 396.531 4.098 40 0 GIABRN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)o2)cc1 ZINC000000781495 570480305 /nfs/dbraw/zinc/48/03/05/570480305.db2.gz ZKZKGWARMYDXAO-UHFFFAOYSA-N 0 0 389.864 4.438 40 0 GIABRN CCCC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223706845 570480758 /nfs/dbraw/zinc/48/07/58/570480758.db2.gz KIZVARQNBDRTEY-XMSQKQJNSA-N 0 0 398.522 4.480 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1F ZINC000223718966 570481084 /nfs/dbraw/zinc/48/10/84/570481084.db2.gz RQLOHTFZXJDATK-OAQYLSRUSA-N 0 0 398.522 4.133 40 0 GIABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSc1ccccc1 ZINC000223720045 570481341 /nfs/dbraw/zinc/48/13/41/570481341.db2.gz SBDTUEKPQSZVAA-GOSISDBHSA-N 0 0 396.556 4.255 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000223729048 570481966 /nfs/dbraw/zinc/48/19/66/570481966.db2.gz UPJMIBAZKOYIQM-UHFFFAOYSA-N 0 0 383.469 4.308 40 0 GIABRN O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)C(F)(F)F)C1CCCC1 ZINC000000800201 570482809 /nfs/dbraw/zinc/48/28/09/570482809.db2.gz LWWRELYZKPPRFS-OAHLLOKOSA-N 0 0 388.455 4.182 40 0 GIABRN Cc1ccc(C)c(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223748664 570483077 /nfs/dbraw/zinc/48/30/77/570483077.db2.gz FMEFMYKFEAWYEV-FQEVSTJZSA-N 0 0 392.543 4.322 40 0 GIABRN CCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223761026 570483548 /nfs/dbraw/zinc/48/35/48/570483548.db2.gz NCFSROXRQHZLFS-LAUBAEHRSA-N 0 0 384.495 4.090 40 0 GIABRN [NH3+][C@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(F)cc1)C(=O)[O-] ZINC000006578909 570484016 /nfs/dbraw/zinc/48/40/16/570484016.db2.gz GYNSTRCJYLZSGY-HXUWFJFHSA-N 0 0 381.472 4.263 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000223809760 570485299 /nfs/dbraw/zinc/48/52/99/570485299.db2.gz CQHFAPHBBARDPS-QFIPXVFZSA-N 0 0 398.522 4.482 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223806131 570485318 /nfs/dbraw/zinc/48/53/18/570485318.db2.gz HLIHXAIUHZLSBV-HXUWFJFHSA-N 0 0 392.543 4.322 40 0 GIABRN S=C(NC[C@H]1CCCO1)Nc1ccc(Sc2ccc(Cl)cc2)nc1 ZINC000223899386 570489386 /nfs/dbraw/zinc/48/93/86/570489386.db2.gz OKKZMAGVPRHRBD-CQSZACIVSA-N 0 0 379.938 4.352 40 0 GIABRN Cc1cccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)c1 ZINC000223940914 570491016 /nfs/dbraw/zinc/49/10/16/570491016.db2.gz UZGNKVVQJWANBP-UHFFFAOYSA-N 0 0 394.496 4.034 40 0 GIABRN COC(=O)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000006761934 570492601 /nfs/dbraw/zinc/49/26/01/570492601.db2.gz UCDYRBDEFZIEOY-ZDCBYCKXSA-N 0 0 383.532 4.472 40 0 GIABRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)s1 ZINC000224000016 570493519 /nfs/dbraw/zinc/49/35/19/570493519.db2.gz FTVPKQWRWAAANR-RBUKOAKNSA-N 0 0 395.509 4.357 40 0 GIABRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)s1 ZINC000223999965 570493761 /nfs/dbraw/zinc/49/37/61/570493761.db2.gz FTVPKQWRWAAANR-MOPGFXCFSA-N 0 0 395.509 4.357 40 0 GIABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCC ZINC000224064808 570496791 /nfs/dbraw/zinc/49/67/91/570496791.db2.gz YFTCUQDVAIJDHW-JOCHJYFZSA-N 0 0 380.532 4.261 40 0 GIABRN CCCC[C@H](CC)CNC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000224055924 570496794 /nfs/dbraw/zinc/49/67/94/570496794.db2.gz APLPMMRNEMOEIP-KRWDZBQOSA-N 0 0 396.597 4.083 40 0 GIABRN O=S(=O)(c1ccccc1)N1N=C(c2ccco2)C[C@H]1c1ccccc1Cl ZINC000006864397 570496996 /nfs/dbraw/zinc/49/69/96/570496996.db2.gz BOTRSEQASYTNTG-SFHVURJKSA-N 0 0 386.860 4.473 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 ZINC000224094077 570498452 /nfs/dbraw/zinc/49/84/52/570498452.db2.gz BNLXLWRFDWEFTD-HXUWFJFHSA-N 0 0 384.545 4.031 40 0 GIABRN O=C(CSc1nnc(-c2cc3ccccc3cc2O)o1)Nc1ccccc1 ZINC000000862980 570498584 /nfs/dbraw/zinc/49/85/84/570498584.db2.gz VOEZKGBAKDXPQL-UHFFFAOYSA-N 0 0 377.425 4.326 40 0 GIABRN O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccccc2Cl)CC1 ZINC000006897079 570498673 /nfs/dbraw/zinc/49/86/73/570498673.db2.gz CEQRSYQJXSTFPN-UHFFFAOYSA-N 0 0 386.904 4.004 40 0 GIABRN Cc1ccc(C(C)C)c(OCC(=O)NCCCN2c3ccccc3C[C@@H]2C)c1 ZINC000224107809 570499095 /nfs/dbraw/zinc/49/90/95/570499095.db2.gz BWWRJJWCUBRJLD-IBGZPJMESA-N 0 0 380.532 4.455 40 0 GIABRN O=C(CSc1n[nH]c(-c2ccccc2O)n1)Nc1cccc(Cl)c1Cl ZINC000004907270 570499098 /nfs/dbraw/zinc/49/90/98/570499098.db2.gz OLLYUTVNARCTKS-UHFFFAOYSA-N 0 0 395.271 4.215 40 0 GIABRN Cc1ccccc1CN(C(=O)CCc1ccccc1)[C@H](C)C(=O)NCC(C)C ZINC000224114445 570499487 /nfs/dbraw/zinc/49/94/87/570499487.db2.gz ATHZKKLDVSWDHD-HXUWFJFHSA-N 0 0 380.532 4.117 40 0 GIABRN Cc1ccccc1CN(C(=O)CSc1ccccc1)[C@H](C)C(=O)NCC(C)C ZINC000224112201 570499490 /nfs/dbraw/zinc/49/94/90/570499490.db2.gz NEIIQJIOZAODBU-LJQANCHMSA-N 0 0 398.572 4.277 40 0 GIABRN O=C(CSc1nnc(-c2cc3ccccc3cc2O)o1)NCc1ccccc1 ZINC000000867619 570501552 /nfs/dbraw/zinc/50/15/52/570501552.db2.gz JSRQXAULTQHRSQ-UHFFFAOYSA-N 0 0 391.452 4.004 40 0 GIABRN COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1ccccc1C(C)(C)C ZINC000224167420 570501828 /nfs/dbraw/zinc/50/18/28/570501828.db2.gz ZDSJJKDIIORXDK-IBGZPJMESA-N 0 0 397.515 4.481 40 0 GIABRN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCOc1ccccc1Cl ZINC000224179407 570502708 /nfs/dbraw/zinc/50/27/08/570502708.db2.gz PFKSXTTXJKVKTK-UHFFFAOYSA-N 0 0 394.707 4.145 40 0 GIABRN CCOc1ccc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c(C)cc2c1 ZINC000000875746 570503853 /nfs/dbraw/zinc/50/38/53/570503853.db2.gz MEHBJHRBXXOKQL-UHFFFAOYSA-N 0 0 396.468 4.401 40 0 GIABRN CCc1ccc(OCCNS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000224214448 570503899 /nfs/dbraw/zinc/50/38/99/570503899.db2.gz HXXKFUSDJHHLMG-UHFFFAOYSA-N 0 0 388.316 4.054 40 0 GIABRN CCOC(=O)[C@H](CC)Sc1nnc(COc2ccccc2)n1-c1ccccc1 ZINC000000876605 570503972 /nfs/dbraw/zinc/50/39/72/570503972.db2.gz UJRHHTYJTMHXEA-SFHVURJKSA-N 0 0 397.500 4.280 40 0 GIABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000224237550 570504963 /nfs/dbraw/zinc/50/49/63/570504963.db2.gz CGJKSBYCALUAKM-INIZCTEOSA-N 0 0 394.515 4.500 40 0 GIABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 ZINC000224242303 570505402 /nfs/dbraw/zinc/50/54/02/570505402.db2.gz SBOSJARCJXXZAA-QHCPKHFHSA-N 0 0 392.543 4.404 40 0 GIABRN CCc1ccc(OCC(=O)NC[C@H](C)c2ccccc2)c(Br)c1 ZINC000224247877 570505716 /nfs/dbraw/zinc/50/57/16/570505716.db2.gz FCTFDXQTOQPPEA-AWEZNQCLSA-N 0 0 376.294 4.310 40 0 GIABRN COc1cccc(OCc2cc(C(=O)NCc3ccc(F)cc3)ccc2OC)c1 ZINC000224260924 570506351 /nfs/dbraw/zinc/50/63/51/570506351.db2.gz JDFNGEBZELACIX-UHFFFAOYSA-N 0 0 395.430 4.352 40 0 GIABRN CCC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000224287886 570507510 /nfs/dbraw/zinc/50/75/10/570507510.db2.gz VKKIIBWPFOAWJI-OAQYLSRUSA-N 0 0 380.532 4.260 40 0 GIABRN Cc1cccc([C@H]2C[C@@]3(CC(C)(C)NC(=S)N3)Oc3cc(O)cc(C)c32)c1 ZINC000000881933 570508060 /nfs/dbraw/zinc/50/80/60/570508060.db2.gz AJDISCJAOFSJGQ-VGSWGCGISA-N 0 0 382.529 4.266 40 0 GIABRN Cc1cccc(NC(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)c1 ZINC000000882851 570508151 /nfs/dbraw/zinc/50/81/51/570508151.db2.gz WLNVNUJCNQMQIH-UHFFFAOYSA-N 0 0 378.501 4.276 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000224313515 570508634 /nfs/dbraw/zinc/50/86/34/570508634.db2.gz UPENVSKCWKIRJR-HXUWFJFHSA-N 0 0 386.923 4.216 40 0 GIABRN CCOc1ccc(NC(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@H]3C2(C)C)cc1 ZINC000000886756 570510966 /nfs/dbraw/zinc/51/09/66/570510966.db2.gz NRDVZAZQEPQUAK-VFNWGFHPSA-N 0 0 398.532 4.176 40 0 GIABRN COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 ZINC000224374603 570511246 /nfs/dbraw/zinc/51/12/46/570511246.db2.gz UWWXWOJEGRADLP-MSOLQXFVSA-N 0 0 385.504 4.478 40 0 GIABRN CCOc1ccc(CCC(=O)NCCOc2ccc(C)cc2C)cc1OCC ZINC000224394861 570511859 /nfs/dbraw/zinc/51/18/59/570511859.db2.gz UOVAPFIDPIWFCP-UHFFFAOYSA-N 0 0 385.504 4.229 40 0 GIABRN CCC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000224422669 570512710 /nfs/dbraw/zinc/51/27/10/570512710.db2.gz DAGJIFJXLGZBOR-HXUWFJFHSA-N 0 0 384.495 4.090 40 0 GIABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000224438195 570513073 /nfs/dbraw/zinc/51/30/73/570513073.db2.gz UTZAWJGPKRIOOG-UGSOOPFHSA-N 0 0 377.868 4.392 40 0 GIABRN CC(C)(C)c1ccc(OCCNC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000032710531 570513246 /nfs/dbraw/zinc/51/32/46/570513246.db2.gz BBJHXALGYDZRHG-UHFFFAOYSA-N 0 0 381.516 4.228 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)COc3cccc4ccccc43)n2)c1 ZINC000007759277 570514819 /nfs/dbraw/zinc/51/48/19/570514819.db2.gz CDNFZKZRCBLLHT-UHFFFAOYSA-N 0 0 387.439 4.236 40 0 GIABRN CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2cccnc2)n1CC ZINC000000905243 570515961 /nfs/dbraw/zinc/51/59/61/570515961.db2.gz UDXSCMSRRRPAHN-UHFFFAOYSA-N 0 0 395.532 4.216 40 0 GIABRN O=C(Cc1cccc(Cl)c1)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000224516332 570516006 /nfs/dbraw/zinc/51/60/06/570516006.db2.gz NZTQSTLMOPLPME-UHFFFAOYSA-N 0 0 392.886 4.494 40 0 GIABRN Cc1cccc(NC(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@H]3C2(C)C)c1C ZINC000000907385 570517178 /nfs/dbraw/zinc/51/71/78/570517178.db2.gz QNWKMDHFKUGZAL-SZNDQCEHSA-N 0 0 382.533 4.394 40 0 GIABRN CCOc1ccc(C(=O)N2CCN(CC)CC2)cc1COc1cc(C)cc(C)c1 ZINC000224537239 570517324 /nfs/dbraw/zinc/51/73/24/570517324.db2.gz UDHPHCDXBOWEAP-UHFFFAOYSA-N 0 0 396.531 4.059 40 0 GIABRN Cc1ccc(C(C)C)c(OCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000224539263 570517335 /nfs/dbraw/zinc/51/73/35/570517335.db2.gz VMIGWJHPXSRSSW-JXMROGBWSA-N 0 0 392.543 4.355 40 0 GIABRN CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 ZINC000224540873 570517412 /nfs/dbraw/zinc/51/74/12/570517412.db2.gz DUMBXNLYESIFMM-JLHYYAGUSA-N 0 0 392.543 4.146 40 0 GIABRN CC[C@@H](NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1)c1ccc(C)cc1 ZINC000224592701 570519899 /nfs/dbraw/zinc/51/98/99/570519899.db2.gz WHNMASBKLBABCY-QGZVFWFLSA-N 0 0 392.546 4.105 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 ZINC000224591784 570519931 /nfs/dbraw/zinc/51/99/31/570519931.db2.gz NNQBZMJSEKDTDV-QFIPXVFZSA-N 0 0 398.522 4.256 40 0 GIABRN CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1O ZINC000224610490 570520562 /nfs/dbraw/zinc/52/05/62/570520562.db2.gz ARTLUASRLDTTKK-VQTJNVASSA-N 0 0 378.501 4.347 40 0 GIABRN CCN(c1ccccc1F)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224620933 570520840 /nfs/dbraw/zinc/52/08/40/570520840.db2.gz CGHYFGNXVMCIGA-UHFFFAOYSA-N 0 0 378.252 4.356 40 0 GIABRN CCOc1ccc([C@H](C)NC(=O)c2cccc(N3CCCC3=O)c2)cc1OCC ZINC000008031580 570521261 /nfs/dbraw/zinc/52/12/61/570521261.db2.gz ZOKUNFKSRAOUTH-INIZCTEOSA-N 0 0 396.487 4.102 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 ZINC000224630246 570521472 /nfs/dbraw/zinc/52/14/72/570521472.db2.gz CAWUPMRWJKCMFG-HSZRJFAPSA-N 0 0 394.559 4.426 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1cccc(C)c1 ZINC000224664857 570523463 /nfs/dbraw/zinc/52/34/63/570523463.db2.gz HRBZSRGRVASLIA-IBGZPJMESA-N 0 0 398.572 4.172 40 0 GIABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 ZINC000224676223 570523916 /nfs/dbraw/zinc/52/39/16/570523916.db2.gz GITMLCNDARBEQB-SFHVURJKSA-N 0 0 396.506 4.234 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(COC)c2)cc1 ZINC000224690188 570524881 /nfs/dbraw/zinc/52/48/81/570524881.db2.gz URJYBNNQMYRMLJ-UHFFFAOYSA-N 0 0 385.460 4.441 40 0 GIABRN CCCCOCc1cc(C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCC ZINC000224729036 570527391 /nfs/dbraw/zinc/52/73/91/570527391.db2.gz UEEAPURJESRQMV-UHFFFAOYSA-N 0 0 385.460 4.441 40 0 GIABRN CCc1ccc(N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)cc1 ZINC000224746691 570528609 /nfs/dbraw/zinc/52/86/09/570528609.db2.gz ZPORVTIDUJGBAQ-UHFFFAOYSA-N 0 0 396.597 4.126 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C ZINC000224774201 570530277 /nfs/dbraw/zinc/53/02/77/570530277.db2.gz ZEERNSGGYWLCAH-JOCHJYFZSA-N 0 0 398.522 4.256 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1Cl ZINC000224793716 570530794 /nfs/dbraw/zinc/53/07/94/570530794.db2.gz LHZVVYRQARAKOO-UHFFFAOYSA-N 0 0 387.863 4.413 40 0 GIABRN Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(CNc2ccc(F)cc2)o1 ZINC000000917170 570533529 /nfs/dbraw/zinc/53/35/29/570533529.db2.gz ZCLGRMDCEKGNIE-CYBMUJFWSA-N 0 0 386.452 4.249 40 0 GIABRN Cn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)OC1CCCCC1 ZINC000000917321 570533763 /nfs/dbraw/zinc/53/37/63/570533763.db2.gz FUGNXOZPHAZONE-UHFFFAOYSA-N 0 0 394.928 4.049 40 0 GIABRN O=C(NCc1ccccc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000000918483 570534847 /nfs/dbraw/zinc/53/48/47/570534847.db2.gz RDUJPXFLUNCDIC-BBRMVZONSA-N 0 0 390.365 4.066 40 0 GIABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)n1C ZINC000224864808 570535128 /nfs/dbraw/zinc/53/51/28/570535128.db2.gz SEXVUBVAZMLDKD-OALUTQOASA-N 0 0 398.919 4.265 40 0 GIABRN CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000224873956 570535491 /nfs/dbraw/zinc/53/54/91/570535491.db2.gz ZAVUYTJGIGHPCJ-UHFFFAOYSA-N 0 0 398.322 4.290 40 0 GIABRN COc1cc(C)c(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)c(C)c1 ZINC000224871090 570535553 /nfs/dbraw/zinc/53/55/53/570535553.db2.gz TUPSFZQQCOILNA-UHFFFAOYSA-N 0 0 375.490 4.434 40 0 GIABRN CC[C@H]1CCCCN1C(=O)CSc1nc2cc(OC)c(OC)cc2cc1C ZINC000000928278 570538743 /nfs/dbraw/zinc/53/87/43/570538743.db2.gz WTSMUDOHRLZOMP-INIZCTEOSA-N 0 0 388.533 4.444 40 0 GIABRN COc1ccc2cc(S(=O)(=O)Nc3ccc(N4CCCC4)cc3)ccc2c1 ZINC000224937924 570539190 /nfs/dbraw/zinc/53/91/90/570539190.db2.gz YSLDKKJKMXOOKB-UHFFFAOYSA-N 0 0 382.485 4.249 40 0 GIABRN Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)NC3CCCCC3)n12 ZINC000000929736 570540262 /nfs/dbraw/zinc/54/02/62/570540262.db2.gz WOVNMHYZFZDDNF-UHFFFAOYSA-N 0 0 382.533 4.349 40 0 GIABRN CCN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccc(SC)cc1 ZINC000224992131 570542215 /nfs/dbraw/zinc/54/22/15/570542215.db2.gz YUFSJLFXCMWNBZ-UHFFFAOYSA-N 0 0 399.921 4.064 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccccn2)N1C1CCCC1 ZINC000225006312 570543010 /nfs/dbraw/zinc/54/30/10/570543010.db2.gz JXBHSEQEDBMVTN-SFTDATJTSA-N 0 0 389.528 4.182 40 0 GIABRN Cc1ccc(C(=O)NC[C@@H](C)c2ccccc2)c(I)c1 ZINC000225029770 570544209 /nfs/dbraw/zinc/54/42/09/570544209.db2.gz ZHYVINSCCKXFBG-CYBMUJFWSA-N 0 0 379.241 4.133 40 0 GIABRN COc1ccccc1[C@H](C)NC(=O)COc1cc(C)c(Br)c(C)c1 ZINC000225037887 570544583 /nfs/dbraw/zinc/54/45/83/570544583.db2.gz VZACNEUHRGGONM-AWEZNQCLSA-N 0 0 392.293 4.331 40 0 GIABRN COP(=O)(OC)[C@H](/C=C(\Cl)c1ccc(Br)cc1)N(C)C ZINC000034856650 570544766 /nfs/dbraw/zinc/54/47/66/570544766.db2.gz YVEJBTKPGUBQGI-KIWPFMIBSA-N 0 0 382.622 4.402 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C ZINC000225052969 570545767 /nfs/dbraw/zinc/54/57/67/570545767.db2.gz XTLRKINKXHYZIN-WOJBJXKFSA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 ZINC000225054081 570545795 /nfs/dbraw/zinc/54/57/95/570545795.db2.gz FAFVMGTVXLWMRV-MOPGFXCFSA-N 0 0 398.572 4.419 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1 ZINC000225089254 570547808 /nfs/dbraw/zinc/54/78/08/570547808.db2.gz UNCGOYYSKRKBHJ-WOJBJXKFSA-N 0 0 396.531 4.014 40 0 GIABRN CCOc1ccc(CNC(=O)COc2ccc3c(c2)CCCC3)cc1OCC ZINC000225087634 570547877 /nfs/dbraw/zinc/54/78/77/570547877.db2.gz CVRAVVBMBVWXEY-UHFFFAOYSA-N 0 0 383.488 4.058 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1 ZINC000225092010 570547974 /nfs/dbraw/zinc/54/79/74/570547974.db2.gz YXSLLDOBDJXTTD-QFIPXVFZSA-N 0 0 396.531 4.016 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225092704 570548572 /nfs/dbraw/zinc/54/85/72/570548572.db2.gz GRCPLLBFFLKIRV-NHCUHLMSSA-N 0 0 394.559 4.486 40 0 GIABRN CCn1c(=O)sc2cc(NC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)ccc21 ZINC000225121575 570550622 /nfs/dbraw/zinc/55/06/22/570550622.db2.gz BGEOOOWXHXBDFZ-LBPRGKRZSA-N 0 0 390.892 4.451 40 0 GIABRN CC(C)(C)c1ccc(/C=c2/sc3nnc(-c4ccc(Cl)cc4)n3c2=O)cc1 ZINC000009189122 570551304 /nfs/dbraw/zinc/55/13/04/570551304.db2.gz XNCZQZQBYCTRMO-SFQUDFHCSA-N 0 0 395.915 4.317 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 ZINC000225135167 570551540 /nfs/dbraw/zinc/55/15/40/570551540.db2.gz SJNLXZFCBHKMKE-JOCHJYFZSA-N 0 0 380.532 4.261 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C ZINC000225163605 570552805 /nfs/dbraw/zinc/55/28/05/570552805.db2.gz RKIQJUCFWODPFI-NRFANRHFSA-N 0 0 396.531 4.016 40 0 GIABRN COc1ccccc1O[C@H](C)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C ZINC000225166819 570553092 /nfs/dbraw/zinc/55/30/92/570553092.db2.gz XXSCXRKQTXRTGK-CYBMUJFWSA-N 0 0 386.473 4.059 40 0 GIABRN CCCc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 ZINC000225194220 570555182 /nfs/dbraw/zinc/55/51/82/570555182.db2.gz GCOOKQGIJNYJJK-GOSISDBHSA-N 0 0 381.516 4.480 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C ZINC000225238278 570558586 /nfs/dbraw/zinc/55/85/86/570558586.db2.gz OLBHHCXEONBNQA-RTBURBONSA-N 0 0 398.522 4.317 40 0 GIABRN O=C(c1cccc(F)c1)N1CCS/C1=C\c1nc(-c2ccccc2F)no1 ZINC000225243188 570558917 /nfs/dbraw/zinc/55/89/17/570558917.db2.gz GYXSMIAJQRFXBL-GZTJUZNOSA-N 0 0 385.395 4.202 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 ZINC000225247000 570558975 /nfs/dbraw/zinc/55/89/75/570558975.db2.gz XERHAZZQBAAMTL-ZWKOTPCHSA-N 0 0 384.495 4.009 40 0 GIABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000225279501 570560961 /nfs/dbraw/zinc/56/09/61/570560961.db2.gz FRALHJPPHRFHIZ-MOPGFXCFSA-N 0 0 383.488 4.098 40 0 GIABRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(C)c1 ZINC000009903495 570562459 /nfs/dbraw/zinc/56/24/59/570562459.db2.gz IACUFTIPYUVQTF-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN COc1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000225315958 570564337 /nfs/dbraw/zinc/56/43/37/570564337.db2.gz NNLPKBIEQZEQIU-UHFFFAOYSA-N 0 0 380.488 4.283 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)NCCc2ccc(OC)cc2)cc1Cl ZINC000225315762 570564366 /nfs/dbraw/zinc/56/43/66/570564366.db2.gz UYTCECLESIUMPH-UHFFFAOYSA-N 0 0 392.908 4.054 40 0 GIABRN O=C(CCc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000225325463 570564561 /nfs/dbraw/zinc/56/45/61/570564561.db2.gz KWRIIKXBQFGDDF-UHFFFAOYSA-N 0 0 381.278 4.414 40 0 GIABRN COc1ccccc1[C@H](C)NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000225353227 570566916 /nfs/dbraw/zinc/56/69/16/570566916.db2.gz NWCLQFXCNHQJMV-HNNXBMFYSA-N 0 0 377.506 4.175 40 0 GIABRN O=C(CCc1c(Cl)cccc1Cl)NCc1cccc(N2CCCC2=O)c1 ZINC000225360387 570567255 /nfs/dbraw/zinc/56/72/55/570567255.db2.gz OXRTTYYUVSWTKU-UHFFFAOYSA-N 0 0 391.298 4.369 40 0 GIABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1ccccc1F ZINC000010282502 570567464 /nfs/dbraw/zinc/56/74/64/570567464.db2.gz MZINXRRIWKPHRV-LJQANCHMSA-N 0 0 377.481 4.041 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1Cl ZINC000225382047 570568750 /nfs/dbraw/zinc/56/87/50/570568750.db2.gz JJWVNCSYKDCWHF-UHFFFAOYSA-N 0 0 387.863 4.204 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cc1 ZINC000010331979 570569414 /nfs/dbraw/zinc/56/94/14/570569414.db2.gz VKWUGPFGPHNLEV-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN O=C(Nc1ccccc1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000001337189 570570249 /nfs/dbraw/zinc/57/02/49/570570249.db2.gz OOWBHVDOSBUYEX-UHFFFAOYSA-N 0 0 382.464 4.303 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1nc(-c2ccccc2)no1 ZINC000225407060 570570814 /nfs/dbraw/zinc/57/08/14/570570814.db2.gz GHXPSNCBEWIGSM-FQEVSTJZSA-N 0 0 391.471 4.089 40 0 GIABRN Fc1ccc(-c2cc3nc4c(c(NCCc5ccccn5)n3n2)CCCC4)cc1 ZINC000001341485 570571008 /nfs/dbraw/zinc/57/10/08/570571008.db2.gz QNXFECIKRWTBMO-UHFFFAOYSA-N 0 0 387.462 4.464 40 0 GIABRN CCc1cccc(C)c1NC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(C(C)=O)c1 ZINC000001343677 570571845 /nfs/dbraw/zinc/57/18/45/570571845.db2.gz MFAPLIAUKDTMJP-FQEVSTJZSA-N 0 0 393.487 4.395 40 0 GIABRN CCCc1nc2c(nnn2Cc2ccccc2)c(NCc2ccccc2Cl)n1 ZINC000001346706 570572663 /nfs/dbraw/zinc/57/26/63/570572663.db2.gz LWJOWEIKPAERCG-UHFFFAOYSA-N 0 0 392.894 4.488 40 0 GIABRN COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1cccc(OC)c1 ZINC000001353683 570573463 /nfs/dbraw/zinc/57/34/63/570573463.db2.gz NSFXVSDAPHASRT-UHFFFAOYSA-N 0 0 378.403 4.415 40 0 GIABRN C[C@@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000010969556 570574336 /nfs/dbraw/zinc/57/43/36/570574336.db2.gz NHYWEMBKAOUHCR-CHWSQXEVSA-N 0 0 397.949 4.102 40 0 GIABRN CCN(C(=O)COc1ccc(Cl)cc1)c1nnc(-c2ccc(F)cc2)s1 ZINC000001356328 570574573 /nfs/dbraw/zinc/57/45/73/570574573.db2.gz VBUUYHHYJUYWFM-UHFFFAOYSA-N 0 0 391.855 4.430 40 0 GIABRN Cc1occc1-c1nnc(SCC(=O)NC2CCCC2)n1Cc1ccccc1 ZINC000001361181 570576046 /nfs/dbraw/zinc/57/60/46/570576046.db2.gz BZEPMTSLLGILAM-UHFFFAOYSA-N 0 0 396.516 4.046 40 0 GIABRN Fc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCc3ccccc32)cc1 ZINC000001360778 570576146 /nfs/dbraw/zinc/57/61/46/570576146.db2.gz JAPHUPGWRXEQNB-QHCPKHFHSA-N 0 0 399.473 4.207 40 0 GIABRN CCCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccccn1 ZINC000001362600 570576890 /nfs/dbraw/zinc/57/68/90/570576890.db2.gz NUGNVJBCEDDABL-INIZCTEOSA-N 0 0 395.532 4.486 40 0 GIABRN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=S)Nc1ccc(Cl)cc1 ZINC000225465275 570577294 /nfs/dbraw/zinc/57/72/94/570577294.db2.gz LNTIOXGGAYPOJN-OAHLLOKOSA-N 0 0 389.908 4.058 40 0 GIABRN COc1cccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(C)cc4)no3)C2)c1 ZINC000001363490 570577724 /nfs/dbraw/zinc/57/77/24/570577724.db2.gz KEXVZHNHGLLMJT-SFHVURJKSA-N 0 0 377.444 4.073 40 0 GIABRN Cc1ccccc1CN(C(=O)CCCOc1ccccc1)[C@@H](C)C(=O)NC(C)C ZINC000225488899 570579354 /nfs/dbraw/zinc/57/93/54/570579354.db2.gz FRJRMLNYKVMORY-FQEVSTJZSA-N 0 0 396.531 4.096 40 0 GIABRN CCn1c(SCC(=O)N(Cc2ccccc2)C(C)(C)C)nnc1-c1ccco1 ZINC000001368471 570580550 /nfs/dbraw/zinc/58/05/50/570580550.db2.gz VZISMVDBBGHURD-UHFFFAOYSA-N 0 0 398.532 4.477 40 0 GIABRN CCC1(CC)C[C@H](NS(=O)(=O)Cc2ccc(F)cc2)c2ccccc2O1 ZINC000225497048 570580661 /nfs/dbraw/zinc/58/06/61/570580661.db2.gz HYZYJOFJEQECMG-SFHVURJKSA-N 0 0 377.481 4.328 40 0 GIABRN COc1ccc2cc(S(=O)(=O)N(C)Cc3ccc(Cl)cc3)ccc2c1 ZINC000225516437 570582671 /nfs/dbraw/zinc/58/26/71/570582671.db2.gz MINYRGGBVGJHIA-UHFFFAOYSA-N 0 0 375.877 4.323 40 0 GIABRN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 ZINC000038772602 570583165 /nfs/dbraw/zinc/58/31/65/570583165.db2.gz RQCCJKZAQOCRKZ-UHFFFAOYSA-N 0 0 386.517 4.047 40 0 GIABRN CCOC(=O)c1cc(NC(=O)CSc2ccc(OC)cc2)ccc1Cl ZINC000038773247 570583749 /nfs/dbraw/zinc/58/37/49/570583749.db2.gz GXUYQCQUSUPCLK-UHFFFAOYSA-N 0 0 379.865 4.256 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2cc(C)ccc2C)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225531091 570584508 /nfs/dbraw/zinc/58/45/08/570584508.db2.gz OWRNCAAOMZCMEP-HXUWFJFHSA-N 0 0 380.532 4.096 40 0 GIABRN Cc1ccc(NC(=S)NCCCc2ccc(F)cc2)cc1N1CCCC1=O ZINC000225548572 570587103 /nfs/dbraw/zinc/58/71/03/570587103.db2.gz BDTKXPDPAXOPDQ-UHFFFAOYSA-N 0 0 385.508 4.180 40 0 GIABRN CC(C)OCCCNC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038858615 570588551 /nfs/dbraw/zinc/58/85/51/570588551.db2.gz PEAMTKRYZYRZME-HNNXBMFYSA-N 0 0 387.351 4.137 40 0 GIABRN COc1ccc(NC(=S)NCCCSc2ccc(C)cc2)cc1OC ZINC000225587069 570591384 /nfs/dbraw/zinc/59/13/84/570591384.db2.gz KPQQDRCOABOQEP-UHFFFAOYSA-N 0 0 376.547 4.481 40 0 GIABRN COc1ccc(NC(=S)NCCCSc2ccc(C)cc2)c(OC)c1 ZINC000225586977 570591456 /nfs/dbraw/zinc/59/14/56/570591456.db2.gz RRMIODZACXELOK-UHFFFAOYSA-N 0 0 376.547 4.481 40 0 GIABRN Cc1ccc(SCCCNC(=S)Nc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000225588972 570591864 /nfs/dbraw/zinc/59/18/64/570591864.db2.gz YTAKWZZTCNLLHF-UHFFFAOYSA-N 0 0 387.574 4.166 40 0 GIABRN COC(=O)c1cccc(NC(=S)NCCCSCc2ccccc2C)c1 ZINC000225601414 570592811 /nfs/dbraw/zinc/59/28/11/570592811.db2.gz YHUPESVVAZMYCU-UHFFFAOYSA-N 0 0 388.558 4.392 40 0 GIABRN COc1ccc(NC(=S)NCCCSCc2ccc(F)cc2)cc1OC ZINC000225614764 570594231 /nfs/dbraw/zinc/59/42/31/570594231.db2.gz RIDKOMTUGKTUPT-UHFFFAOYSA-N 0 0 394.537 4.453 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2OC)c(Cl)c1Cl ZINC000225617105 570594848 /nfs/dbraw/zinc/59/48/48/570594848.db2.gz MPGVFYLTRUTDSP-JTQLQIEISA-N 0 0 390.288 4.050 40 0 GIABRN CCCOc1ccccc1CCCNC(=S)Nc1ccc2c(c1)OCCO2 ZINC000225625362 570595529 /nfs/dbraw/zinc/59/55/29/570595529.db2.gz QGXZFYDOKXIXRA-UHFFFAOYSA-N 0 0 386.517 4.166 40 0 GIABRN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)n3cccc/c3=N\C(C)C)c12 ZINC000040132412 570596061 /nfs/dbraw/zinc/59/60/61/570596061.db2.gz QATVNXWFRVRYAW-LYBHJNIJSA-N 0 0 391.519 4.171 40 0 GIABRN Cc1cc(C)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C ZINC000225641352 570597408 /nfs/dbraw/zinc/59/74/08/570597408.db2.gz CYSWPBUYTSKGPV-UHFFFAOYSA-N 0 0 386.517 4.039 40 0 GIABRN Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)CC(C)(C)O2 ZINC000225676181 570601373 /nfs/dbraw/zinc/60/13/73/570601373.db2.gz MRALKHGLXNYGRU-SFHVURJKSA-N 0 0 397.544 4.286 40 0 GIABRN Cn1c2ccc(S(=O)(=O)Nc3ccccc3-c3ccccc3)cc2sc1=O ZINC000225676657 570601914 /nfs/dbraw/zinc/60/19/14/570601914.db2.gz LWKGUQYLZDDDEB-UHFFFAOYSA-N 0 0 396.493 4.068 40 0 GIABRN Cc1cc(C)cc(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000225693613 570603948 /nfs/dbraw/zinc/60/39/48/570603948.db2.gz MUIHWSYTPBFIBP-IBGZPJMESA-N 0 0 398.522 4.175 40 0 GIABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c1 ZINC000225702303 570605673 /nfs/dbraw/zinc/60/56/73/570605673.db2.gz ATQOSSXVTQYVJN-UHFFFAOYSA-N 0 0 376.503 4.062 40 0 GIABRN COc1ccc(/C=C/C(=O)NCc2cccc(C(F)(F)F)c2)c(OC)c1OC ZINC000225703644 570606048 /nfs/dbraw/zinc/60/60/48/570606048.db2.gz JGUAEVWHIKJQKB-CSKARUKUSA-N 0 0 395.377 4.061 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1C ZINC000225702425 570606104 /nfs/dbraw/zinc/60/61/04/570606104.db2.gz JIDKTCFQTVMNGR-UHFFFAOYSA-N 0 0 376.503 4.062 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl ZINC000225719130 570608436 /nfs/dbraw/zinc/60/84/36/570608436.db2.gz RMEVPRSIXTXQTQ-HXUWFJFHSA-N 0 0 386.923 4.215 40 0 GIABRN CCn1c2ncccc2nc1[C@@H](CC(C)C)NC(=O)Cc1c[nH]c2ccccc12 ZINC000012114146 570609502 /nfs/dbraw/zinc/60/95/02/570609502.db2.gz JLXSVDHKZXDWOG-HXUWFJFHSA-N 0 0 389.503 4.379 40 0 GIABRN COc1cc(OC)c(-c2nc3cnccn3c2NCc2ccccc2)cc1OC ZINC000012113838 570609765 /nfs/dbraw/zinc/60/97/65/570609765.db2.gz WUQMSCGPUWPJDF-UHFFFAOYSA-N 0 0 390.443 4.034 40 0 GIABRN O=C(c1ccc(Cn2cc(Cl)cn2)o1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012116092 570610877 /nfs/dbraw/zinc/61/08/77/570610877.db2.gz RRVSHDQCYIPDHX-KRWDZBQOSA-N 0 0 395.850 4.031 40 0 GIABRN CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1 ZINC000225738090 570611081 /nfs/dbraw/zinc/61/10/81/570611081.db2.gz RIWNUIJAQHDPSG-JOCHJYFZSA-N 0 0 390.524 4.002 40 0 GIABRN Cc1ccccc1[C@H](NC(=O)Cn1ccnc1-c1ccccc1)c1ccncc1 ZINC000012116876 570611388 /nfs/dbraw/zinc/61/13/88/570611388.db2.gz NLBRUBXQAHUAJD-HSZRJFAPSA-N 0 0 382.467 4.159 40 0 GIABRN COc1ccc2c(c1)N[C@]1(CCCN(C(=O)[C@@H]3CC=CCC3)C1)c1cccn1-2 ZINC000012117308 570612161 /nfs/dbraw/zinc/61/21/61/570612161.db2.gz OESVXDDTYGKPCM-HXOBKFHXSA-N 0 0 377.488 4.085 40 0 GIABRN CCc1cc(C(=O)N2CCC[C@@H](c3nc4ccccn4c3NC(C)(C)C)C2)no1 ZINC000012128135 570613190 /nfs/dbraw/zinc/61/31/90/570613190.db2.gz JGCOWVZTNUGQBB-OAHLLOKOSA-N 0 0 395.507 4.115 40 0 GIABRN Cc1cc(C)c2c(=O)ccn(CC(=O)N3CCC(Cc4ccccc4)CC3)c2c1 ZINC000225756627 570613671 /nfs/dbraw/zinc/61/36/71/570613671.db2.gz QXDIXKVZJRJFGS-UHFFFAOYSA-N 0 0 388.511 4.100 40 0 GIABRN CCOC(=O)c1cc(NC(=O)CCc2ccc(OC)c(C)c2)ccc1Cl ZINC000225762573 570614405 /nfs/dbraw/zinc/61/44/05/570614405.db2.gz JKFZNKQIHIVAQL-UHFFFAOYSA-N 0 0 375.852 4.405 40 0 GIABRN Cc1cnn(Cc2ccccc2)c1NC(=O)c1ncoc1-c1ccc(F)cc1 ZINC000012145524 570616326 /nfs/dbraw/zinc/61/63/26/570616326.db2.gz SBFMHPMMCDQGMO-UHFFFAOYSA-N 0 0 376.391 4.286 40 0 GIABRN O=C(Nc1ccccc1Br)c1snnc1-c1ccc(F)cc1 ZINC000225778303 570616462 /nfs/dbraw/zinc/61/64/62/570616462.db2.gz GTKQDXFODOWNMY-UHFFFAOYSA-N 0 0 378.226 4.359 40 0 GIABRN CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2)nnc1-c1ccc(O)cc1 ZINC000004130137 570617016 /nfs/dbraw/zinc/61/70/16/570617016.db2.gz QHNGUWIHTAKWLD-CQSZACIVSA-N 0 0 382.489 4.098 40 0 GIABRN Cc1nnc(S[C@H](C)C(=O)Nc2cccc3ccccc32)n1C[C@@H]1CCCO1 ZINC000004130604 570617030 /nfs/dbraw/zinc/61/70/30/570617030.db2.gz FHTZIRBHCNGZAA-PBHICJAKSA-N 0 0 396.516 4.038 40 0 GIABRN COc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000225786805 570617312 /nfs/dbraw/zinc/61/73/12/570617312.db2.gz QJOSEMKUYOMVNW-LBPRGKRZSA-N 0 0 384.423 4.468 40 0 GIABRN O=C(Nc1ccc(Oc2cccnc2)cc1)c1cc2c([nH]c1=O)CCCCC2 ZINC000012148458 570617816 /nfs/dbraw/zinc/61/78/16/570617816.db2.gz CCDAROUJXCKIBM-UHFFFAOYSA-N 0 0 375.428 4.083 40 0 GIABRN O=C(CCc1nc(-c2cccc(F)c2)no1)NCc1cccc2ccccc21 ZINC000225801944 570618855 /nfs/dbraw/zinc/61/88/55/570618855.db2.gz QDNOFOUHOKOSQP-UHFFFAOYSA-N 0 0 375.403 4.278 40 0 GIABRN COc1ccc(C(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)cc1OC ZINC000012188040 570621715 /nfs/dbraw/zinc/62/17/15/570621715.db2.gz TVMPFIFHQBOYQA-IBGZPJMESA-N 0 0 376.456 4.272 40 0 GIABRN COc1cccc(-c2noc(CNC(=S)Nc3cccc(OC(C)C)c3)n2)c1 ZINC000225822906 570621843 /nfs/dbraw/zinc/62/18/43/570621843.db2.gz WIJJAAOTUUCBGQ-UHFFFAOYSA-N 0 0 398.488 4.019 40 0 GIABRN COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)C2CCCC2)cc1 ZINC000004230928 570621947 /nfs/dbraw/zinc/62/19/47/570621947.db2.gz RZSOCRYCAMQPHK-UHFFFAOYSA-N 0 0 390.483 4.430 40 0 GIABRN Cc1cccc(-c2noc(CCC(=O)N[C@H](C)c3ccc4c(c3)CCC4)n2)c1 ZINC000012194926 570622529 /nfs/dbraw/zinc/62/25/29/570622529.db2.gz SAQZGVJJKGYFSH-MRXNPFEDSA-N 0 0 375.472 4.344 40 0 GIABRN COc1cc(C)c(CNC(=O)c2c(C)onc2-c2ccncc2)cc1C(C)C ZINC000012193780 570622685 /nfs/dbraw/zinc/62/26/85/570622685.db2.gz WELPORZXTLDVAY-UHFFFAOYSA-N 0 0 379.460 4.415 40 0 GIABRN Cc1cccc2c(C(=O)Nc3cccc(C(=O)N4CCCCC4)c3)cc(=O)[nH]c12 ZINC000012197104 570623668 /nfs/dbraw/zinc/62/36/68/570623668.db2.gz HDIPHTLJKFBSJG-UHFFFAOYSA-N 0 0 389.455 4.127 40 0 GIABRN CCOc1cccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000225833420 570623776 /nfs/dbraw/zinc/62/37/76/570623776.db2.gz DXIYSHPWLBWCSG-UHFFFAOYSA-N 0 0 388.880 4.275 40 0 GIABRN CCOC1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OC)c2)CCC(C)CC1 ZINC000225834351 570623872 /nfs/dbraw/zinc/62/38/72/570623872.db2.gz CUAXZDBVXJMBAP-UHFFFAOYSA-N 0 0 391.508 4.432 40 0 GIABRN COc1ccc(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1C ZINC000225835464 570623924 /nfs/dbraw/zinc/62/39/24/570623924.db2.gz ROZJGGMQQKOIRQ-UHFFFAOYSA-N 0 0 388.467 4.115 40 0 GIABRN COc1ccc(CCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1C ZINC000225839703 570624263 /nfs/dbraw/zinc/62/42/63/570624263.db2.gz VMKCGZNYGZGFOX-UHFFFAOYSA-N 0 0 399.878 4.298 40 0 GIABRN CCCOC1(C(=O)Nc2ccc(OC(C)C)c(C(=O)OC)c2)CCCCC1 ZINC000225851285 570626592 /nfs/dbraw/zinc/62/65/92/570626592.db2.gz PABZLJFXRMLNEX-UHFFFAOYSA-N 0 0 377.481 4.328 40 0 GIABRN CCCO[C@](C)(C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1)C1CC1 ZINC000225857664 570627377 /nfs/dbraw/zinc/62/73/77/570627377.db2.gz NWOSRUWLBNZJFL-QKKBWIMNSA-N 0 0 377.481 4.184 40 0 GIABRN CCCO[C@](C)(C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1)C1CC1 ZINC000225858127 570627475 /nfs/dbraw/zinc/62/74/75/570627475.db2.gz VQFJAAGXFSVQCK-QFIPXVFZSA-N 0 0 391.508 4.432 40 0 GIABRN CC(=O)c1cccc(NC(=O)CCn2c(-c3ccncc3)cc3cccnc32)c1 ZINC000012219629 570627595 /nfs/dbraw/zinc/62/75/95/570627595.db2.gz JSXOYIPPVZWONJ-UHFFFAOYSA-N 0 0 384.439 4.330 40 0 GIABRN CCOCCOc1ncc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C ZINC000225861850 570627790 /nfs/dbraw/zinc/62/77/90/570627790.db2.gz GLEVCHDUPWRPLU-UHFFFAOYSA-N 0 0 386.467 4.395 40 0 GIABRN Cc1ccc(NC(=S)NC2(c3ccccn3)CCCC2)cc1N1CCCC1=O ZINC000225870079 570629104 /nfs/dbraw/zinc/62/91/04/570629104.db2.gz UNOQTSWCIVFIDW-UHFFFAOYSA-N 0 0 394.544 4.273 40 0 GIABRN Cc1ccc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)cc1Cl ZINC000004411496 570629369 /nfs/dbraw/zinc/62/93/69/570629369.db2.gz GDYVDPWBCGUOLL-UHFFFAOYSA-N 0 0 377.916 4.341 40 0 GIABRN CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c2cccnc12 ZINC000225875914 570629551 /nfs/dbraw/zinc/62/95/51/570629551.db2.gz FTOVPMVSKHOCAQ-UHFFFAOYSA-N 0 0 394.446 4.460 40 0 GIABRN CC(C)Oc1ccc(CNC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 ZINC000043754872 570630144 /nfs/dbraw/zinc/63/01/44/570630144.db2.gz XGHWABYHXJMBJU-AWEZNQCLSA-N 0 0 392.293 4.320 40 0 GIABRN O=C(CCc1ccc(Cl)cc1)N[C@H]1CCCc2nc(-c3ccncc3)ncc21 ZINC000012254348 570631097 /nfs/dbraw/zinc/63/10/97/570631097.db2.gz ISCZRFBRQXPEDR-IBGZPJMESA-N 0 0 392.890 4.318 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)nc(CC)n3C)cc1 ZINC000225897631 570631621 /nfs/dbraw/zinc/63/16/21/570631621.db2.gz NKMJLSBDDIVOCL-UHFFFAOYSA-N 0 0 379.460 4.345 40 0 GIABRN COc1ccccc1C(=O)Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1 ZINC000004838616 570633823 /nfs/dbraw/zinc/63/38/23/570633823.db2.gz PTQJVSQDLNNDBI-UHFFFAOYSA-N 0 0 378.819 4.335 40 0 GIABRN Cc1ccc(CNC(=S)Nc2nc(Cl)cc(N3CCC(C)CC3)n2)cc1 ZINC000225946507 570635495 /nfs/dbraw/zinc/63/54/95/570635495.db2.gz XRODTJFACZYRFS-UHFFFAOYSA-N 0 0 389.956 4.161 40 0 GIABRN Cc1ccc(CNC(=S)Nc2nc(C)cc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000225946041 570635566 /nfs/dbraw/zinc/63/55/66/570635566.db2.gz GSRDPFSTXDSWBU-HOTGVXAUSA-N 0 0 383.565 4.062 40 0 GIABRN CCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1F)OCCO3 ZINC000004849585 570635894 /nfs/dbraw/zinc/63/58/94/570635894.db2.gz ZOYLMVVKDGJAOP-UHFFFAOYSA-N 0 0 398.459 4.438 40 0 GIABRN CCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(F)cc1)OCO3 ZINC000004849560 570635905 /nfs/dbraw/zinc/63/59/05/570635905.db2.gz CHZSSHZNSKRTCW-UHFFFAOYSA-N 0 0 384.432 4.396 40 0 GIABRN Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 ZINC000225962380 570636864 /nfs/dbraw/zinc/63/68/64/570636864.db2.gz USXOYNVIGKGECE-ZOBUZTSGSA-N 0 0 383.565 4.315 40 0 GIABRN Cc1ccc2c(c1)nnn2C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004895376 570636997 /nfs/dbraw/zinc/63/69/97/570636997.db2.gz OJELQPMNGQAANV-UHFFFAOYSA-N 0 0 378.520 4.120 40 0 GIABRN CS(=O)(=O)Nc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1Cl ZINC000225970930 570637393 /nfs/dbraw/zinc/63/73/93/570637393.db2.gz ODQCBLPTPZFAII-UHFFFAOYSA-N 0 0 393.679 4.271 40 0 GIABRN CC[C@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(C)cc1 ZINC000004852085 570637889 /nfs/dbraw/zinc/63/78/89/570637889.db2.gz MCPGBAAPSZPZFI-AWEZNQCLSA-N 0 0 384.505 4.151 40 0 GIABRN CNc1nc(-c2ccc(OC)c(NC(=O)c3ccc(OC)c(C)c3)c2)cs1 ZINC000226094680 570641659 /nfs/dbraw/zinc/64/16/59/570641659.db2.gz QYGBUSMZZKROFQ-UHFFFAOYSA-N 0 0 383.473 4.430 40 0 GIABRN CNc1nc(-c2ccc(OC)c(NC(=O)c3c(OC)cccc3OC)c2)cs1 ZINC000226093428 570641697 /nfs/dbraw/zinc/64/16/97/570641697.db2.gz YYIXHTGRHJHVRU-UHFFFAOYSA-N 0 0 399.472 4.130 40 0 GIABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000044946012 570644758 /nfs/dbraw/zinc/64/47/58/570644758.db2.gz XKXQUEFGCIVTAT-OAQYLSRUSA-N 0 0 382.504 4.485 40 0 GIABRN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 ZINC000044946318 570644913 /nfs/dbraw/zinc/64/49/13/570644913.db2.gz VJTHIJRHTXAVRQ-QFIPXVFZSA-N 0 0 394.496 4.021 40 0 GIABRN Cc1cccc(-c2cc3nc4c(c(NCCCn5ccnc5)n3n2)CCCC4)c1 ZINC000004902599 570647040 /nfs/dbraw/zinc/64/70/40/570647040.db2.gz UHMSTZGNONUUJR-UHFFFAOYSA-N 0 0 386.503 4.282 40 0 GIABRN O=C1CCCN1Cc1ccccc1CNC(=S)Nc1ccc(F)c(Cl)c1 ZINC000045704346 570648025 /nfs/dbraw/zinc/64/80/25/570648025.db2.gz RHSJJFJAMNOTSK-UHFFFAOYSA-N 0 0 391.899 4.088 40 0 GIABRN CCCN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1ccc(OC)cc1OC ZINC000004909716 570648375 /nfs/dbraw/zinc/64/83/75/570648375.db2.gz IAHLPZRLJOZZCU-NRFANRHFSA-N 0 0 395.434 4.188 40 0 GIABRN COc1ccc(OC)c(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCCC2)c1 ZINC000005001812 570651723 /nfs/dbraw/zinc/65/17/23/570651723.db2.gz CIRYSAYLEXHHFJ-UHFFFAOYSA-N 0 0 395.459 4.104 40 0 GIABRN O=C(Nc1cccc2c1CCCC2)[C@H]1CCCN(C(=O)NCc2ccccc2)C1 ZINC000004965706 570653842 /nfs/dbraw/zinc/65/38/42/570653842.db2.gz HSJPYMSZMOEAQO-FQEVSTJZSA-N 0 0 391.515 4.126 40 0 GIABRN CC(C)(C)c1nc2c(nnn2Cc2ccccc2Cl)c(NCc2ccco2)n1 ZINC000004966603 570654067 /nfs/dbraw/zinc/65/40/67/570654067.db2.gz WOBRHXWHGODTGY-UHFFFAOYSA-N 0 0 396.882 4.426 40 0 GIABRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000118915240 570654828 /nfs/dbraw/zinc/65/48/28/570654828.db2.gz QEEBRPGZBVVINN-BJNOIPOFSA-N 0 0 386.532 4.242 40 0 GIABRN O=C(NC1CCCCC1)[C@H](OC(=O)C1=Cc2ccccc2OC1)c1ccccc1 ZINC000004982302 570656349 /nfs/dbraw/zinc/65/63/49/570656349.db2.gz CLGHAQSMBUXYIF-JOCHJYFZSA-N 0 0 391.467 4.196 40 0 GIABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000005015912 570657154 /nfs/dbraw/zinc/65/71/54/570657154.db2.gz SBZDRDXPIDCOQG-UHFFFAOYSA-N 0 0 399.299 4.294 40 0 GIABRN CCc1ccc2c(c1)C(c1ccc(OC)c(OC)c1)=NNC(c1cccnc1)=N2 ZINC000005444939 570662723 /nfs/dbraw/zinc/66/27/23/570662723.db2.gz KEAVWWHXGKBECP-UHFFFAOYSA-N 0 0 386.455 4.095 40 0 GIABRN Cc1nnc(SCC2N=NC(=S)N2c2ccccc2)n1-c1ccc(C)cc1 ZINC000005448299 570663338 /nfs/dbraw/zinc/66/33/38/570663338.db2.gz XHNUDABRYRYVQV-UHFFFAOYSA-N 0 0 394.529 4.046 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@@H]3c2ccccc2F)cc1 ZINC000006679270 570673468 /nfs/dbraw/zinc/67/34/68/570673468.db2.gz RFGBPHYWYDVIDS-BFUOFWGJSA-N 0 0 397.475 4.492 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@H]3c2ccccc2F)cc1 ZINC000006679277 570673521 /nfs/dbraw/zinc/67/35/21/570673521.db2.gz RFGBPHYWYDVIDS-YJYMSZOUSA-N 0 0 397.475 4.492 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@@H]3c2ccsc2)cc1 ZINC000006679344 570673557 /nfs/dbraw/zinc/67/35/57/570673557.db2.gz JRMNTEYAGGNEOF-YVEFUNNKSA-N 0 0 385.514 4.414 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@H]3c2ccc(O)cc2)cc1 ZINC000006679320 570673624 /nfs/dbraw/zinc/67/36/24/570673624.db2.gz MDBLWYKAVCXRSF-DJJJIMSYSA-N 0 0 395.484 4.058 40 0 GIABRN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cs2)c(C)c1 ZINC000006680905 570674854 /nfs/dbraw/zinc/67/48/54/570674854.db2.gz RQFVPNYGGKNZIM-AWEZNQCLSA-N 0 0 392.546 4.038 40 0 GIABRN Cc1cccc(N(C)S(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)c1 ZINC000006681196 570675223 /nfs/dbraw/zinc/67/52/23/570675223.db2.gz IZLOKMXNCRHJMR-UHFFFAOYSA-N 0 0 386.498 4.134 40 0 GIABRN C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)cc2Cl)C1 ZINC000054363464 570677609 /nfs/dbraw/zinc/67/76/09/570677609.db2.gz GBDIKCXJUKWTTD-MRVPVSSYSA-N 0 0 387.126 4.177 40 0 GIABRN CCOc1ccc(C2=N/C(=C\c3ccc(OCC)cc3OCC)C(=O)O2)cc1 ZINC000409009140 570693117 /nfs/dbraw/zinc/69/31/17/570693117.db2.gz XAXLGFMZWJENTP-UYRXBGFRSA-N 0 0 381.428 4.227 40 0 GIABRN Cc1cc(N2CCCC[C@H]2C)nc(NC(=S)NCCCc2ccccc2)n1 ZINC000260715119 570699737 /nfs/dbraw/zinc/69/97/37/570699737.db2.gz LWNNBGOXODMHCY-QGZVFWFLSA-N 0 0 383.565 4.083 40 0 GIABRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(O)c(Br)c2)S1 ZINC000260753109 570702948 /nfs/dbraw/zinc/70/29/48/570702948.db2.gz BIWQGFPRHSJLBX-HPEXNQPKSA-N 0 0 390.306 4.139 40 0 GIABRN CC[C@H](C)Oc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C(=O)OC ZINC000260814597 570707639 /nfs/dbraw/zinc/70/76/39/570707639.db2.gz KZWIPDTVVDPCMH-VFCRVFHLSA-N 0 0 377.481 4.184 40 0 GIABRN O=C(CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000001797071 570716993 /nfs/dbraw/zinc/71/69/93/570716993.db2.gz HVSNYQQANCAZFS-OQLLNIDSSA-N 0 0 390.823 4.154 40 0 GIABRN C[C@H](NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000006084149 570737660 /nfs/dbraw/zinc/73/76/60/570737660.db2.gz IWSUBQOIHMWWLI-STQMWFEESA-N 0 0 396.270 4.181 40 0 GIABRN COc1ccc(-c2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)n[nH]2)cc1 ZINC000006141942 570738044 /nfs/dbraw/zinc/73/80/44/570738044.db2.gz CWPBYXKUUCJJJJ-UHFFFAOYSA-N 0 0 388.880 4.173 40 0 GIABRN O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000006152272 570738238 /nfs/dbraw/zinc/73/82/38/570738238.db2.gz BFVDADHQVKHTRX-UHFFFAOYSA-N 0 0 377.271 4.484 40 0 GIABRN O=S(=O)(NCCSCc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000006221560 570739557 /nfs/dbraw/zinc/73/95/57/570739557.db2.gz NYPWLDVLUWAREV-UHFFFAOYSA-N 0 0 376.330 4.205 40 0 GIABRN O=C(CSc1ccc(F)cc1)Nc1cccc(I)c1 ZINC000006284901 570740758 /nfs/dbraw/zinc/74/07/58/570740758.db2.gz FIOYLQLKVNHHID-UHFFFAOYSA-N 0 0 387.217 4.161 40 0 GIABRN CC(C)Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 ZINC000006345808 570740833 /nfs/dbraw/zinc/74/08/33/570740833.db2.gz ZVKCRRBWLVCNPU-QGZVFWFLSA-N 0 0 396.487 4.253 40 0 GIABRN COc1ccc(-c2cnn3c(nnc3-c3ccc(OC4CCCC4)cc3)n2)cc1 ZINC000588229253 570746349 /nfs/dbraw/zinc/74/63/49/570746349.db2.gz PRUJNXOCIIOCJQ-UHFFFAOYSA-N 0 0 387.443 4.183 40 0 GIABRN COc1ccc(CC(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000006608811 570747870 /nfs/dbraw/zinc/74/78/70/570747870.db2.gz CRPDNKUHWITTLN-UHFFFAOYSA-N 0 0 391.423 4.212 40 0 GIABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc(OC)cc2)cc1 ZINC000006630455 570748440 /nfs/dbraw/zinc/74/84/40/570748440.db2.gz HASXARSWHTXSEZ-UHFFFAOYSA-N 0 0 390.439 4.114 40 0 GIABRN CCS(=O)(=O)[C@@](C)(Br)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000096518627 570754028 /nfs/dbraw/zinc/75/40/28/570754028.db2.gz MRMFCICYTZTIJC-QGZVFWFLSA-N 0 0 381.291 4.082 40 0 GIABRN COc1ccc(Cl)cc1S(=O)(=O)NC(c1ccccc1)c1ccccc1 ZINC000107195806 570755486 /nfs/dbraw/zinc/75/54/86/570755486.db2.gz ABQKMLIRAZOWCY-UHFFFAOYSA-N 0 0 387.888 4.417 40 0 GIABRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)C1=O ZINC000007076935 570756546 /nfs/dbraw/zinc/75/65/46/570756546.db2.gz VFWDSTMSFILXIO-HTMJNSLASA-N 0 0 397.500 4.324 40 0 GIABRN CCCCn1nnnc1NCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000007262159 570757390 /nfs/dbraw/zinc/75/73/90/570757390.db2.gz CIYFZLXHAVJEDQ-UHFFFAOYSA-N 0 0 381.480 4.063 40 0 GIABRN O=C(Nc1ccccc1C(F)(F)F)N1[C@@H]2CC[C@H]1CC(O)(c1cccnc1)C2 ZINC000013563662 570758675 /nfs/dbraw/zinc/75/86/75/570758675.db2.gz LPNFEPVPRCCPAD-RTHVDDQRSA-N 0 0 391.393 4.147 40 0 GIABRN Cc1ccccc1OCc1nnc(SCc2nnc(-c3ccccc3)o2)o1 ZINC000013586105 570760582 /nfs/dbraw/zinc/76/05/82/570760582.db2.gz YWOKKDHRMRNYDD-UHFFFAOYSA-N 0 0 380.429 4.299 40 0 GIABRN COc1cccc(Cc2cnc([C@@H]3CCCN3C(=O)c3cccc(F)c3)o2)c1 ZINC000257229399 570764518 /nfs/dbraw/zinc/76/45/18/570764518.db2.gz FXYNKJCSRBZNST-FQEVSTJZSA-N 0 0 380.419 4.390 40 0 GIABRN CC(C)(C)C(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(N)=O)CC1 ZINC000257234063 570765912 /nfs/dbraw/zinc/76/59/12/570765912.db2.gz GRXKRPORDNJHGG-UHFFFAOYSA-N 0 0 384.545 4.098 40 0 GIABRN CCOc1cc(CNn2cn[nH]c2=S)ccc1OCc1ccccc1Cl ZINC000008254723 570766391 /nfs/dbraw/zinc/76/63/91/570766391.db2.gz MCJDTZDQSSFCLI-UHFFFAOYSA-N 0 0 390.896 4.315 40 0 GIABRN COc1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000008115662 570766771 /nfs/dbraw/zinc/76/67/71/570766771.db2.gz WRQBWKBFBOCSHP-UHFFFAOYSA-N 0 0 396.679 4.465 40 0 GIABRN COC(=O)C1CCN(C(=O)c2ccc(CSc3ccc(C)cc3)cc2)CC1 ZINC000013669641 570770352 /nfs/dbraw/zinc/77/03/52/570770352.db2.gz GNTMDVOMUBHQFQ-UHFFFAOYSA-N 0 0 383.513 4.313 40 0 GIABRN CCOC(=O)c1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000013670983 570770445 /nfs/dbraw/zinc/77/04/45/570770445.db2.gz JSEWECKDTNJPJF-UHFFFAOYSA-N 0 0 388.272 4.112 40 0 GIABRN C[C@@H]1CCCN(C(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)C1 ZINC000013672488 570770795 /nfs/dbraw/zinc/77/07/95/570770795.db2.gz YSPPMNMYRIVHOW-UZUQRXQVSA-N 0 0 394.540 4.333 40 0 GIABRN CCC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 ZINC000008810136 570772489 /nfs/dbraw/zinc/77/24/89/570772489.db2.gz JQUSFXGFKADHOY-LBPRGKRZSA-N 0 0 398.887 4.198 40 0 GIABRN CCN(c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1)S(C)(=O)=O ZINC000013680461 570772956 /nfs/dbraw/zinc/77/29/56/570772956.db2.gz AOJQWYYDPIVRAK-UHFFFAOYSA-N 0 0 387.288 4.032 40 0 GIABRN O=S(=O)(Cc1c(Cl)cccc1Cl)NCCSC1CCCCC1 ZINC000013680551 570773157 /nfs/dbraw/zinc/77/31/57/570773157.db2.gz FHJSIDOHPLOBDK-UHFFFAOYSA-N 0 0 382.378 4.479 40 0 GIABRN Cc1ccc([C@@H]2N(c3ccccc3)C(=O)C[C@@H]3C(=O)Oc4ccccc4N32)cc1 ZINC000009264835 570774293 /nfs/dbraw/zinc/77/42/93/570774293.db2.gz BDFTVPOSNKHBRD-NFBKMPQASA-N 0 0 384.435 4.225 40 0 GIABRN CC[C@H](C(=O)Nc1ccc2ccccc2c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713100 570777864 /nfs/dbraw/zinc/77/78/64/570777864.db2.gz CKBGMBYAXCZREJ-OAQYLSRUSA-N 0 0 396.512 4.332 40 0 GIABRN CC[C@H](C(=O)Nc1cccc(C)c1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716211 570779133 /nfs/dbraw/zinc/77/91/33/570779133.db2.gz SRVQSBRRNXKGJJ-HXUWFJFHSA-N 0 0 388.533 4.104 40 0 GIABRN Cc1cccc(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 ZINC000010372157 570790191 /nfs/dbraw/zinc/79/01/91/570790191.db2.gz WCFYHUIRUHEXHF-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN C[C@H](NC(=O)c1ccc(I)cc1)c1ccc(Cl)cc1 ZINC000070134291 570825286 /nfs/dbraw/zinc/82/52/86/570825286.db2.gz JEQGHFHKOMRYIS-JTQLQIEISA-N 0 0 385.632 4.436 40 0 GIABRN COc1cc(NC(=O)Cc2cccc(Br)c2)c(OC)cc1Cl ZINC000072064070 570862388 /nfs/dbraw/zinc/86/23/88/570862388.db2.gz UFSZOGXGRKMRFS-UHFFFAOYSA-N 0 0 384.657 4.301 40 0 GIABRN CCOc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OC(=O)CC ZINC000013925092 570867181 /nfs/dbraw/zinc/86/71/81/570867181.db2.gz MNZOBSRTKOTMNO-WJDWOHSUSA-N 0 0 399.830 4.399 40 0 GIABRN COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000014006549 570875284 /nfs/dbraw/zinc/87/52/84/570875284.db2.gz DZNZLDYMWIMIAT-MRXNPFEDSA-N 0 0 396.487 4.164 40 0 GIABRN CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C)n1CC ZINC000014085453 570875498 /nfs/dbraw/zinc/87/54/98/570875498.db2.gz KCERCSSQHWWMJA-UHFFFAOYSA-N 0 0 396.516 4.403 40 0 GIABRN COc1cc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)ccc1OC(C)=O ZINC000003584426 570877164 /nfs/dbraw/zinc/87/71/64/570877164.db2.gz FOUVNMDPSIAQCZ-UNOMPAQXSA-N 0 0 387.391 4.118 40 0 GIABRN O=C(CSc1nnc(Cc2ccccc2)[nH]1)Nc1cccc(C(F)(F)F)c1 ZINC000014152561 570877821 /nfs/dbraw/zinc/87/78/21/570877821.db2.gz SUUAKIPHYUPKNT-UHFFFAOYSA-N 0 0 392.406 4.145 40 0 GIABRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000072229937 570878588 /nfs/dbraw/zinc/87/85/88/570878588.db2.gz FNDGUCVFLGWWPN-NRFANRHFSA-N 0 0 395.842 4.445 40 0 GIABRN O=C(c1sc2ccccc2c1[C@H]1CCN(c2ccccc2)C1)N1CCOCC1 ZINC000072355979 570881488 /nfs/dbraw/zinc/88/14/88/570881488.db2.gz LIVXNWGRUIEFOW-KRWDZBQOSA-N 0 0 392.524 4.368 40 0 GIABRN Cc1ccc(OCCCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000014397107 570882839 /nfs/dbraw/zinc/88/28/39/570882839.db2.gz LIVONJYXDJOSJE-WEVVVXLNSA-N 0 0 378.516 4.012 40 0 GIABRN Cc1cc(O[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc(C)c1Cl ZINC000014398074 570883680 /nfs/dbraw/zinc/88/36/80/570883680.db2.gz KOUCAFNRPBXCKN-GOSISDBHSA-N 0 0 386.923 4.069 40 0 GIABRN CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c1C ZINC000014405361 570891192 /nfs/dbraw/zinc/89/11/92/570891192.db2.gz NPFNANHBNJBPET-UHFFFAOYSA-N 0 0 382.386 4.053 40 0 GIABRN C[C@@H]1CC(C)(C)N2C(=O)[C@@]3(SCC(=O)N3c3ccc(F)cc3)c3cccc1c32 ZINC000014671881 570894403 /nfs/dbraw/zinc/89/44/03/570894403.db2.gz ZLJIUTXQPFJWNO-DMZKTXOQSA-N 0 0 396.487 4.391 40 0 GIABRN O=C(NCCCCCCNC(=O)OCc1ccccc1)OCc1ccccc1 ZINC000004934682 570897250 /nfs/dbraw/zinc/89/72/50/570897250.db2.gz KQMNHEJQHXLCPU-UHFFFAOYSA-N 0 0 384.476 4.400 40 0 GIABRN COc1ccc(-c2noc(CCC(=O)Nc3ccc(C(C)C)cc3)n2)cc1OC ZINC000015580416 570898023 /nfs/dbraw/zinc/89/80/23/570898023.db2.gz NOEIAPPEEIXTPU-UHFFFAOYSA-N 0 0 395.459 4.449 40 0 GIABRN Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3CC=CCC3)CC2)on1 ZINC000257276599 570900743 /nfs/dbraw/zinc/90/07/43/570900743.db2.gz NUKTZUAMEBTGKI-KZNAEPCWSA-N 0 0 382.508 4.130 40 0 GIABRN O=S(=O)(Nc1cccc(OC(F)(F)F)c1)c1ccc(Br)cc1 ZINC000024429417 570904009 /nfs/dbraw/zinc/90/40/09/570904009.db2.gz IFUCNEOFQJSURZ-UHFFFAOYSA-N 0 0 396.184 4.149 40 0 GIABRN COc1ccc(/C=C/C(=O)NCCSCc2cccc(Cl)c2)cc1OC ZINC000020240119 570904668 /nfs/dbraw/zinc/90/46/68/570904668.db2.gz QBDOSGWBAAWKRT-VQHVLOKHSA-N 0 0 391.920 4.420 40 0 GIABRN Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)c3cscn3)CC2)n1 ZINC000257314271 570907394 /nfs/dbraw/zinc/90/73/94/570907394.db2.gz UWDLHUOPYJLNLQ-JCNLHEQBSA-N 0 0 393.516 4.007 40 0 GIABRN CC(C)Oc1ccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc1 ZINC000017077776 570916937 /nfs/dbraw/zinc/91/69/37/570916937.db2.gz XKGXSPQJDSJKME-UHFFFAOYSA-N 0 0 380.469 4.459 40 0 GIABRN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(I)cc1 ZINC000017155746 570919354 /nfs/dbraw/zinc/91/93/54/570919354.db2.gz OEJDDDRBTBCMRH-ZDUSSCGKSA-N 0 0 379.241 4.042 40 0 GIABRN CC[C@H](C)C(=O)N1CC2(CCOCC2)c2cc(-c3cnn(CC4CC4)c3)ccc21 ZINC000585105760 570932523 /nfs/dbraw/zinc/93/25/23/570932523.db2.gz JIDGUYPDDRMDLP-KRWDZBQOSA-N 0 0 393.531 4.401 40 0 GIABRN Cc1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccccc2)cc1C ZINC000019946792 570932855 /nfs/dbraw/zinc/93/28/55/570932855.db2.gz NBEIMRCHRUGEAB-UHFFFAOYSA-N 0 0 394.496 4.137 40 0 GIABRN CC(C)CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1ccco1)C2 ZINC000585107459 570934986 /nfs/dbraw/zinc/93/49/86/570934986.db2.gz WPKGQVZCJKFUKE-HSZRJFAPSA-N 0 0 390.487 4.073 40 0 GIABRN CC(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1cccs1)C2 ZINC000585106543 570936766 /nfs/dbraw/zinc/93/67/66/570936766.db2.gz AJVLBPRJPSRYQF-JOCHJYFZSA-N 0 0 392.528 4.151 40 0 GIABRN CCc1ccc(C(=O)N2CC[C@@H](OCC3CC3)[C@H](Cc3ccccc3)C2)cn1 ZINC000585113531 570943631 /nfs/dbraw/zinc/94/36/31/570943631.db2.gz ZNBIQGFTNTZDNB-FYYLOGMGSA-N 0 0 378.516 4.144 40 0 GIABRN O=C(/C=C/c1ccco1)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 ZINC000020411065 570946071 /nfs/dbraw/zinc/94/60/71/570946071.db2.gz OORXPCPVKXXPJL-SOFGYWHQSA-N 0 0 379.397 4.387 40 0 GIABRN CCC(CC)COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1Br ZINC000000828451 570946675 /nfs/dbraw/zinc/94/66/75/570946675.db2.gz UXAKHQIRYFHHFR-MRXNPFEDSA-N 0 0 395.297 4.056 40 0 GIABRN O=C1S/C(=C/c2cccc(F)c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000215180104 570950435 /nfs/dbraw/zinc/95/04/35/570950435.db2.gz RAQYAZMTEYYXTH-FZSIALSZSA-N 0 0 391.807 4.444 40 0 GIABRN C[C@H]1N=C(c2ccc(I)cc2)[C@H]2[C@@H](c3ccc(F)cc3)N21 ZINC000020601918 570951642 /nfs/dbraw/zinc/95/16/42/570951642.db2.gz HLGXDODNHZTHQC-VEFOSOGTSA-N 0 0 392.215 4.005 40 0 GIABRN CC1(C)CC(=O)C2=C(c3cc(C(F)(F)F)ccc3C(F)(F)F)NN[C@H]2C1 ZINC000228934902 570951948 /nfs/dbraw/zinc/95/19/48/570951948.db2.gz HKFUEVHXFSMLSS-AAEUAGOBSA-N 0 0 378.316 4.405 40 0 GIABRN O=Cc1cn(Cc2ccccc2Br)c2cc(Cl)c(F)cc2c1=O ZINC000390822855 570952063 /nfs/dbraw/zinc/95/20/63/570952063.db2.gz LSUDXLOEFUFQFH-UHFFFAOYSA-N 0 0 394.627 4.417 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@@H]2CCCCN2C(=O)Cc2ccccc2F)on1 ZINC000019121879 570957531 /nfs/dbraw/zinc/95/75/31/570957531.db2.gz SWBYWKWGNDQGIX-IBGZPJMESA-N 0 0 394.450 4.184 40 0 GIABRN OCc1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000236503707 570978622 /nfs/dbraw/zinc/97/86/22/570978622.db2.gz GPANETDRRXCPAO-UHFFFAOYSA-N 0 0 390.046 4.422 40 0 GIABRN O=C([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000585183191 571000174 /nfs/dbraw/zinc/00/01/74/571000174.db2.gz JLZCURIQUTZCAH-SFHVURJKSA-N 0 0 394.446 4.482 40 0 GIABRN CCNc1nc(-c2cccnc2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000328960455 571047136 /nfs/dbraw/zinc/04/71/36/571047136.db2.gz AYCVTDAVVIPHDI-UHFFFAOYSA-N 0 0 375.263 4.138 40 0 GIABRN COC(=O)c1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2ccc(Cl)cc2)C(=S)N1 ZINC000004372256 817524006 /nfs/dbraw/zinc/52/40/06/817524006.db2.gz NEUOQDOJIWUAGZ-KXBFYZLASA-N 0 0 388.876 4.061 40 0 GIABRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1 ZINC000005284105 817568733 /nfs/dbraw/zinc/56/87/33/817568733.db2.gz XYMBABHJTJODGM-IBGZPJMESA-N 0 0 385.508 4.053 40 0 GIABRN CCOc1ccc(NC(=S)Nc2nc3ccc(C(=O)OC)cc3s2)cc1 ZINC000006246891 817670347 /nfs/dbraw/zinc/67/03/47/817670347.db2.gz UFCUROKZKFCCCU-UHFFFAOYSA-N 0 0 387.486 4.291 40 0 GIABRN CC(=O)Oc1ccc(C(=O)COC(=O)c2ccccc2Nc2ccccc2)cc1 ZINC000006296402 817673885 /nfs/dbraw/zinc/67/38/85/817673885.db2.gz CSADETVYXYDKHU-UHFFFAOYSA-N 0 0 389.407 4.395 40 0 GIABRN CC(C)CCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000006325854 817676863 /nfs/dbraw/zinc/67/68/63/817676863.db2.gz PHZFDRAPLUJHKZ-JOCHJYFZSA-N 0 0 382.529 4.237 40 0 GIABRN CCN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O ZINC000006325805 817676967 /nfs/dbraw/zinc/67/69/67/817676967.db2.gz YJAUKJQOBGRYHQ-GZTJUZNOSA-N 0 0 384.413 4.230 40 0 GIABRN Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc1 ZINC000006475731 817696777 /nfs/dbraw/zinc/69/67/77/817696777.db2.gz JPSYXGOYDZSKDD-WOJGMQOQSA-N 0 0 380.469 4.287 40 0 GIABRN CCN1C(=O)N/C(=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)C1=O ZINC000006630145 817712516 /nfs/dbraw/zinc/71/25/16/817712516.db2.gz ZQMDYEVHTDHVJR-XDHOZWIPSA-N 0 0 377.419 4.050 40 0 GIABRN CCCNC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C)c(C)c1 ZINC000006629617 817712533 /nfs/dbraw/zinc/71/25/33/817712533.db2.gz XUXVVRPMRRYBIH-UHFFFAOYSA-N 0 0 394.544 4.093 40 0 GIABRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3)cc2)C1=O)N1CCCC1 ZINC000006885646 817721017 /nfs/dbraw/zinc/72/10/17/817721017.db2.gz VEZOVUCHJLKORI-XMHGGMMESA-N 0 0 392.480 4.012 40 0 GIABRN CN1C2=C(C(=O)CCC2)C(c2ccc(N3CCCC3)cc2)C2=C1CCCC2=O ZINC000006949808 817728475 /nfs/dbraw/zinc/72/84/75/817728475.db2.gz TXMKVWRMIJWMFN-UHFFFAOYSA-N 0 0 376.500 4.330 40 0 GIABRN CCN1C(=O)N/C(=C/c2c(OCc3ccccc3C#N)ccc3ccccc32)C1=O ZINC000006951113 817728569 /nfs/dbraw/zinc/72/85/69/817728569.db2.gz UCDBNJTXBLKHTA-FYJGNVAPSA-N 0 0 397.434 4.203 40 0 GIABRN COc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 ZINC000006953517 817728634 /nfs/dbraw/zinc/72/86/34/817728634.db2.gz HMKUBOBXOWEIPN-UHFFFAOYSA-N 0 0 392.455 4.333 40 0 GIABRN CCN1C(=O)/C(=C\c2ccc(OC)c(O)c2)S/C1=N/c1ccc(OC)cc1 ZINC000006954393 817729065 /nfs/dbraw/zinc/72/90/65/817729065.db2.gz IIJSWPGKCHCZCU-LLPDMMGZSA-N 0 0 384.457 4.033 40 0 GIABRN CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1 ZINC000006961971 817729773 /nfs/dbraw/zinc/72/97/73/817729773.db2.gz YBJFSBADUNQMLA-LDADJPATSA-N 0 0 396.468 4.069 40 0 GIABRN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)cc1 ZINC000007078264 817754834 /nfs/dbraw/zinc/75/48/34/817754834.db2.gz BFBXPTVJPQEADJ-XGHPXPSOSA-N 0 0 391.489 4.099 40 0 GIABRN CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)c1 ZINC000007605369 817878440 /nfs/dbraw/zinc/87/84/40/817878440.db2.gz DKVVCOWIQASIBY-UHFFFAOYSA-N 0 0 396.472 4.043 40 0 GIABRN CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)cc1 ZINC000007605367 817878515 /nfs/dbraw/zinc/87/85/15/817878515.db2.gz BLFGZILFQCCMOZ-UHFFFAOYSA-N 0 0 396.472 4.043 40 0 GIABRN COc1ccc(Cl)cc1-c1nnc(Sc2ccc([N+](=O)[O-])cc2C=O)o1 ZINC000007610252 817879313 /nfs/dbraw/zinc/87/93/13/817879313.db2.gz UXRQHAZTEDBILK-UHFFFAOYSA-N 0 0 391.792 4.271 40 0 GIABRN Cc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)c(C)c1 ZINC000007881439 817948797 /nfs/dbraw/zinc/94/87/97/817948797.db2.gz VCKRAEVJKYLWEP-DOTOQJQBSA-N 0 0 399.874 4.124 40 0 GIABRN CCOc1c(Cl)cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000007893699 817953304 /nfs/dbraw/zinc/95/33/04/817953304.db2.gz QUDFJTNLORUQDB-GIJQJNRQSA-N 0 0 394.771 4.010 40 0 GIABRN CCOc1ccccc1N1C[C@H](C(=O)Oc2cc(C)ccc2C(C)C)CC1=O ZINC000007929359 817962848 /nfs/dbraw/zinc/96/28/48/817962848.db2.gz SOGVCOFGKOFAAT-QGZVFWFLSA-N 0 0 381.472 4.476 40 0 GIABRN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCOC(C)C)cc1 ZINC000008022222 817984725 /nfs/dbraw/zinc/98/47/25/817984725.db2.gz OQAXGTRXSAPYIW-NRFANRHFSA-N 0 0 393.483 4.388 40 0 GIABRN CCc1ccccc1NC(=O)COc1ccc(C(=S)N2CCCC2)cc1OC ZINC000008088378 817997756 /nfs/dbraw/zinc/99/77/56/817997756.db2.gz UYPDMDURDFHSFU-UHFFFAOYSA-N 0 0 398.528 4.046 40 0 GIABRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1O ZINC000008112378 818002203 /nfs/dbraw/zinc/00/22/03/818002203.db2.gz MOSJCIOZYBEEOP-CXUHLZMHSA-N 0 0 375.833 4.291 40 0 GIABRN COc1ccc(Cl)cc1/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O ZINC000008159849 818009068 /nfs/dbraw/zinc/00/90/68/818009068.db2.gz IJMFABOAVRHNFX-RQZCQDPDSA-N 0 0 384.844 4.457 40 0 GIABRN C[C@@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000008266171 818027019 /nfs/dbraw/zinc/02/70/19/818027019.db2.gz XKMJIWZIZNOQFX-QGZVFWFLSA-N 0 0 394.496 4.003 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1OC ZINC000016147507 818397934 /nfs/dbraw/zinc/39/79/34/818397934.db2.gz SOXYYXIDUHVCMX-UHFFFAOYSA-N 0 0 396.679 4.465 40 0 GIABRN COc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4ccccn4)CC3)c2)cc1 ZINC000019691098 818598777 /nfs/dbraw/zinc/59/87/77/818598777.db2.gz PMNPVSFOYBNDGK-UHFFFAOYSA-N 0 0 387.483 4.480 40 0 GIABRN COc1cccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3cnn(C)c3C)c2)c1 ZINC000019690647 818598861 /nfs/dbraw/zinc/59/88/61/818598861.db2.gz SILRPUCYKAJHAF-JOCHJYFZSA-N 0 0 390.487 4.085 40 0 GIABRN COc1ccc(Cc2ccc([C@@H]3CN(CCc4ccccc4)CCO3)nc2)cc1 ZINC000019692860 818599514 /nfs/dbraw/zinc/59/95/14/818599514.db2.gz ZKIMMJVAFRFEAJ-VWLOTQADSA-N 0 0 388.511 4.297 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2N(C(=O)c3ccncc3)[C@H](c3ccccc3)C[C@@]21C ZINC000019713508 818603240 /nfs/dbraw/zinc/60/32/40/818603240.db2.gz PNVSCMWJDDBNSU-FIXSFTCYSA-N 0 0 391.515 4.219 40 0 GIABRN CC(C)(Br)C(=O)Nc1nc2c(cc(Br)cc2F)s1 ZINC000020133193 818615224 /nfs/dbraw/zinc/61/52/24/818615224.db2.gz WXLUPVYZVXLKBJ-UHFFFAOYSA-N 0 0 396.079 4.310 40 0 GIABRN Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000029768461 820513772 /nfs/dbraw/zinc/51/37/72/820513772.db2.gz HYFHJNDZILAAKK-IRXDYDNUSA-N 0 0 398.528 4.023 40 0 GIABRN Cc1ccc2c(c1)c(=O)[nH]c1c(C(=O)NCc3cccs3)sc(=S)n12 ZINC000032946510 821021729 /nfs/dbraw/zinc/02/17/29/821021729.db2.gz AOQXCLBKIDCYGU-UHFFFAOYSA-N 0 0 387.511 4.284 40 0 GIABRN Cc1cccc(C)c1NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C ZINC000033794029 821060239 /nfs/dbraw/zinc/06/02/39/821060239.db2.gz CTCABJZSMFWWRO-IBGZPJMESA-N 0 0 398.503 4.352 40 0 GIABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000216362037 222576772 /nfs/dbraw/zinc/57/67/72/222576772.db2.gz AOQUZHUXMOPIBC-NRFANRHFSA-N 0 0 393.483 4.373 40 0 GIABRN COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc(F)cc1F ZINC000019570960 210267350 /nfs/dbraw/zinc/26/73/50/210267350.db2.gz WVERWSPNZNKNNK-LJQANCHMSA-N 0 0 397.425 4.026 40 0 GIABRN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000019568567 210266837 /nfs/dbraw/zinc/26/68/37/210266837.db2.gz KWVVBDNBBWPKMW-CYBMUJFWSA-N 0 0 381.398 4.446 40 0 GIABRN COc1cccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2Cl)c1 ZINC000019564799 210264876 /nfs/dbraw/zinc/26/48/76/210264876.db2.gz USUMYUNKPODOBV-FQEVSTJZSA-N 0 0 395.890 4.401 40 0 GIABRN Cc1noc(-c2cnc(C)nc2[C@@H]2CCCN2C(=O)c2ccccc2F)c1C ZINC000019558513 210264478 /nfs/dbraw/zinc/26/44/78/210264478.db2.gz AXBWUSUGOMNKOI-SFHVURJKSA-N 0 0 380.423 4.173 40 0 GIABRN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1c1n[nH]cc1-c1ccncc1 ZINC000019559029 210264103 /nfs/dbraw/zinc/26/41/03/210264103.db2.gz JCJLVDYRGMXZSY-KRWDZBQOSA-N 0 0 382.851 4.111 40 0 GIABRN Cc1noc(-c2cnn(C)c2[C@H]2CCCCN2C(=O)Cc2ccccc2F)c1C ZINC000019558713 210263855 /nfs/dbraw/zinc/26/38/55/210263855.db2.gz IZXJQILCIQQSDX-LJQANCHMSA-N 0 0 396.466 4.127 40 0 GIABRN Cc1ncsc1C(=O)N1CCCC[C@@H]1c1ccnc2cc(C(C)(C)C)nn21 ZINC000019562163 210263329 /nfs/dbraw/zinc/26/33/29/210263329.db2.gz IMIKLKNAOUSJKL-CQSZACIVSA-N 0 0 383.521 4.159 40 0 GIABRN CCn1c2ccc(NC(=O)c3ccc(Cn4ccnc4)o3)cc2nc1C(C)C ZINC000019524259 210255853 /nfs/dbraw/zinc/25/58/53/210255853.db2.gz CYHOIBJHMRBZGU-UHFFFAOYSA-N 0 0 377.448 4.270 40 0 GIABRN CCCC(=O)N1CC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 ZINC000019501097 210255182 /nfs/dbraw/zinc/25/51/82/210255182.db2.gz SNUDUJHNFHGCRA-SFHVURJKSA-N 0 0 387.487 4.398 40 0 GIABRN CCCC(=O)N1CCC[C@@](Cc2ccccc2-c2cccs2)(C(=O)NC)C1 ZINC000019501246 210254590 /nfs/dbraw/zinc/25/45/90/210254590.db2.gz OOCYDKIIEBAKLN-QFIPXVFZSA-N 0 0 384.545 4.113 40 0 GIABRN CCC[C@H](C(=O)Nc1nc(-c2cnn(CC)c2C)cs1)n1nc(C)cc1C ZINC000019501831 210254397 /nfs/dbraw/zinc/25/43/97/210254397.db2.gz DOFCZUPPEFYVKI-QGZVFWFLSA-N 0 0 386.525 4.128 40 0 GIABRN CCCC(=O)N1CCC[C@@](Cc2ccc(-c3ccccc3)cc2)(C(=O)NC)C1 ZINC000019501190 210254147 /nfs/dbraw/zinc/25/41/47/210254147.db2.gz VAQJVLQUDJSWEC-DEOSSOPVSA-N 0 0 378.516 4.051 40 0 GIABRN CCC(CC)C(=O)N1CCC[C@@](Cc2ccccc2-c2ccccc2)(C(N)=O)C1 ZINC000019500128 210254261 /nfs/dbraw/zinc/25/42/61/210254261.db2.gz OQLQTPVEKARSJK-VWLOTQADSA-N 0 0 392.543 4.426 40 0 GIABRN CC[C@H](Oc1ccccc1F)C(=O)N1CCC(c2cc3ncccc3[nH]2)CC1 ZINC000019499365 210253035 /nfs/dbraw/zinc/25/30/35/210253035.db2.gz PEGJRLAPRMSYPK-FQEVSTJZSA-N 0 0 381.451 4.266 40 0 GIABRN C[C@@H]1Cc2cc(CCC(=O)N3CCC[C@H](COc4ccccc4F)C3)ccc2O1 ZINC000019498115 210252651 /nfs/dbraw/zinc/25/26/51/210252651.db2.gz MAASJQQDZZNDRB-MJGOQNOKSA-N 0 0 397.490 4.399 40 0 GIABRN CCC(=O)N1CCC[C@@](Cc2cccc(-c3cccs3)c2)(C(=O)NC2CC2)C1 ZINC000019498643 210252589 /nfs/dbraw/zinc/25/25/89/210252589.db2.gz OYDNYUBNDJZMFC-QHCPKHFHSA-N 0 0 396.556 4.255 40 0 GIABRN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000014398820 230888911 /nfs/dbraw/zinc/88/89/11/230888911.db2.gz VHFNUNDZKOMGBM-UHFFFAOYSA-N 0 0 387.288 4.032 40 0 GIABRN C[C@H]1C[C@@H]1C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)CC1 ZINC000019462788 210252059 /nfs/dbraw/zinc/25/20/59/210252059.db2.gz DICOWUPBXIEKSO-QCEMKRCNSA-N 0 0 394.510 4.066 40 0 GIABRN Cc1ccc(S(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000010543779 230875130 /nfs/dbraw/zinc/87/51/30/230875130.db2.gz FJSRUIDVTVFMID-UHFFFAOYSA-N 0 0 385.460 4.192 40 0 GIABRN COc1ccc([C@H](C)NC(=O)c2cc(-c3cccnc3)c3cnccc3n2)cc1 ZINC000019458726 210251113 /nfs/dbraw/zinc/25/11/13/210251113.db2.gz DNUAVWOVZVKIPJ-HNNXBMFYSA-N 0 0 384.439 4.191 40 0 GIABRN C[C@@H](NC(=O)c1ccc(Oc2ncccn2)cc1)c1nc2ccccc2s1 ZINC000019459890 210250873 /nfs/dbraw/zinc/25/08/73/210250873.db2.gz UWMNRDNCIJKODH-CYBMUJFWSA-N 0 0 376.441 4.370 40 0 GIABRN C[C@H](NC(=O)CCn1ccnc1-c1ccccc1)c1nc2ccccc2s1 ZINC000019459860 210250887 /nfs/dbraw/zinc/25/08/87/210250887.db2.gz RHVSNMIMCDHOTL-HNNXBMFYSA-N 0 0 376.485 4.427 40 0 GIABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc(C)c3C)o2)cc1 ZINC000151456090 231026841 /nfs/dbraw/zinc/02/68/41/231026841.db2.gz PBPHDXUUZXWKAR-UHFFFAOYSA-N 0 0 383.473 4.305 40 0 GIABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(OCCC(C)C)cc3)CC2=O)cc1 ZINC000103717149 231014042 /nfs/dbraw/zinc/01/40/42/231014042.db2.gz IZCFOHLUWFVBIJ-SFHVURJKSA-N 0 0 380.488 4.412 40 0 GIABRN O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)N1CCCCCC1 ZINC000408548136 231055737 /nfs/dbraw/zinc/05/57/37/231055737.db2.gz PQULISWNZMEERP-OAQYLSRUSA-N 0 0 384.501 4.070 40 0 GIABRN Clc1ccc(CNc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)cc1 ZINC000329022664 231047186 /nfs/dbraw/zinc/04/71/86/231047186.db2.gz OOVQAPVRDJATEV-UHFFFAOYSA-N 0 0 393.922 4.393 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)N1CCCC1 ZINC000408560917 231061621 /nfs/dbraw/zinc/06/16/21/231061621.db2.gz FQEHCTSJTTUUON-UHFFFAOYSA-N 0 0 395.484 4.268 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)N1CCCCC1 ZINC000408562285 231061672 /nfs/dbraw/zinc/06/16/72/231061672.db2.gz OPCTVLYARSWZBW-UHFFFAOYSA-N 0 0 393.896 4.159 40 0 GIABRN CC(C)OCCCNc1ncc(-c2cccc(Cl)c2)c(-c2nccn2C)n1 ZINC000019450423 210247664 /nfs/dbraw/zinc/24/76/64/210247664.db2.gz AVJHSFUWZRSAHP-UHFFFAOYSA-N 0 0 385.899 4.425 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)cc1Cl ZINC000408584703 231068251 /nfs/dbraw/zinc/06/82/51/231068251.db2.gz UABTYJSNAHXXDY-UHFFFAOYSA-N 0 0 395.912 4.227 40 0 GIABRN O=C(NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccccc1F ZINC000408595345 231073510 /nfs/dbraw/zinc/07/35/10/231073510.db2.gz IDITZPAJESLICA-UHFFFAOYSA-N 0 0 387.661 4.368 40 0 GIABRN Cc1ccc2[nH]c(SCC(=O)Nc3cccc(C(=O)OC(C)C)c3)nc2c1 ZINC000408619126 231082457 /nfs/dbraw/zinc/08/24/57/231082457.db2.gz GEGDWLDAWYKBOF-UHFFFAOYSA-N 0 0 383.473 4.167 40 0 GIABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1F ZINC000408706503 231100003 /nfs/dbraw/zinc/10/00/03/231100003.db2.gz AKAIRKRIVZHDNS-LLVKDONJSA-N 0 0 381.234 4.433 40 0 GIABRN Cc1ccc(N2C[C@@H](C(=O)NCC(c3ccccc3)c3ccccc3)CC2=O)cc1 ZINC000408706682 231100255 /nfs/dbraw/zinc/10/02/55/231100255.db2.gz CDDMEEAFWZDYMO-QFIPXVFZSA-N 0 0 398.506 4.296 40 0 GIABRN O=C(NC(=S)Nc1ccccc1O)c1cccc(OCc2ccccc2)c1 ZINC000408622528 231084623 /nfs/dbraw/zinc/08/46/23/231084623.db2.gz PVFAAZQENUEXKG-UHFFFAOYSA-N 0 0 378.453 4.098 40 0 GIABRN O=C(Cc1ccc(Cl)cc1)Nc1ccc(I)cc1F ZINC000408623437 231085172 /nfs/dbraw/zinc/08/51/72/231085172.db2.gz UFNVUHRYBZGSLC-UHFFFAOYSA-N 0 0 389.595 4.265 40 0 GIABRN Cc1ccccc1NC(=O)CSc1nnc(COc2c(C)cccc2C)o1 ZINC000409164249 231173672 /nfs/dbraw/zinc/17/36/72/231173672.db2.gz FNOMMGAJFAIIEI-UHFFFAOYSA-N 0 0 383.473 4.305 40 0 GIABRN O=C1N/C(=C/c2ccc(-c3cccc(F)c3)o2)C(=O)N1Cc1ccccc1F ZINC000409076011 231154823 /nfs/dbraw/zinc/15/48/23/231154823.db2.gz WLWLABMNSWBORX-WOJGMQOQSA-N 0 0 380.350 4.318 40 0 GIABRN O=C(Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1)C1CCC1 ZINC000019346381 210244920 /nfs/dbraw/zinc/24/49/20/210244920.db2.gz KBMHPJIJHNOSGM-UHFFFAOYSA-N 0 0 381.501 4.238 40 0 GIABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3F)C2=O)c(C)c1 ZINC000409181596 231175255 /nfs/dbraw/zinc/17/52/55/231175255.db2.gz DKDPFIGAXFRHHE-LICLKQGHSA-N 0 0 384.432 4.118 40 0 GIABRN Cn1c2c(s/c1=N\C(=O)c1ccccc1Br)CCc1ccccc1-2 ZINC000409196736 231178189 /nfs/dbraw/zinc/17/81/89/231178189.db2.gz WUZJSOLZDLOEOF-VZCXRCSSSA-N 0 0 399.313 4.356 40 0 GIABRN O=C1NC(=Cc2cccc(Br)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409234479 231184567 /nfs/dbraw/zinc/18/45/67/231184567.db2.gz KUPYWGXQWZJVIK-NTEUORMPSA-N 0 0 377.625 4.200 40 0 GIABRN COCCCN1C(=O)S/C(=C/c2cc(Cl)c(OC(C)C)c(OC)c2)C1=O ZINC000409238622 231185540 /nfs/dbraw/zinc/18/55/40/231185540.db2.gz FCLFJDDMRPUBJR-XNTDXEJSSA-N 0 0 399.896 4.209 40 0 GIABRN O=C(CN1C(=O)S/C(=C/c2ccccc2F)C1=O)Nc1ccccc1Cl ZINC000409236929 231185919 /nfs/dbraw/zinc/18/59/19/231185919.db2.gz GYPBNJPJAGZCDI-OQLLNIDSSA-N 0 0 390.823 4.154 40 0 GIABRN Cn1nc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1-c1cccc(F)c1 ZINC000019288854 210238190 /nfs/dbraw/zinc/23/81/90/210238190.db2.gz WUTHQFDRNHJPIJ-UHFFFAOYSA-N 0 0 395.453 4.314 40 0 GIABRN CCc1ccccc1NC(=O)c1ccc(N2C(=O)[C@@H]3CC(C)=CC[C@@H]3C2=O)cc1 ZINC000408681806 529600147 /nfs/dbraw/zinc/60/01/47/529600147.db2.gz JNXYCNQQUYNOTL-VQTJNVASSA-N 0 0 388.467 4.347 40 0 GIABRN CCc1ccccc1NC(=O)c1ccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)cc1 ZINC000408666907 529600173 /nfs/dbraw/zinc/60/01/73/529600173.db2.gz AGRHIGKAISJCAN-NYSBEXSLSA-N 0 0 388.467 4.203 40 0 GIABRN Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2)cc(N(C)C)n1 ZINC000019240899 210236141 /nfs/dbraw/zinc/23/61/41/210236141.db2.gz WCKOZSCGIKJVRJ-OAQYLSRUSA-N 0 0 399.498 4.046 40 0 GIABRN COc1ccc2[nH]c3c(c2c1)CCN1[C@H](c2sccc2C)N2CCC31CC2 ZINC000019238562 210235774 /nfs/dbraw/zinc/23/57/74/210235774.db2.gz LJTOIYKODCVLMF-OAQYLSRUSA-N 0 0 379.529 4.408 40 0 GIABRN Cc1nc(-c2ccc(NC(=O)c3ccc([C@H](C)N4CCOCC4)o3)cc2)cs1 ZINC000019285631 210234623 /nfs/dbraw/zinc/23/46/23/210234623.db2.gz DCGHIZYBBTXMPU-AWEZNQCLSA-N 0 0 397.500 4.357 40 0 GIABRN Cc1noc(-c2cnn(C)c2[C@@H]2CCCCN2C(=O)Cc2cccc(C)c2)c1C ZINC000019234747 210233455 /nfs/dbraw/zinc/23/34/55/210233455.db2.gz CDSYNNOWDRJULA-FQEVSTJZSA-N 0 0 392.503 4.297 40 0 GIABRN COc1c(C)cccc1C(=O)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1C ZINC000019235845 210233464 /nfs/dbraw/zinc/23/34/64/210233464.db2.gz GJYXFZRTWWYIAG-FQEVSTJZSA-N 0 0 390.487 4.465 40 0 GIABRN Cc1ccc(-c2ccccc2C[C@@H]2CN(C(=O)c3ccccc3)CCNC2=O)cc1 ZINC000019212903 210230585 /nfs/dbraw/zinc/23/05/85/210230585.db2.gz YLGRIGFRDNAXCU-HSZRJFAPSA-N 0 0 398.506 4.093 40 0 GIABRN Cc1ccc2[nH]c([C@H]3CCCCN3C(=O)c3cc(C(C)(C)C)nn3C)nc2c1 ZINC000019221489 210230684 /nfs/dbraw/zinc/23/06/84/210230684.db2.gz CYIZABNXELQICD-QGZVFWFLSA-N 0 0 379.508 4.270 40 0 GIABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(Br)o3)S2)cc1 ZINC000408767838 529689312 /nfs/dbraw/zinc/68/93/12/529689312.db2.gz PQLKQDOXLVUMOB-RCBBPTIPSA-N 0 0 379.279 4.204 40 0 GIABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(N4CCCCC4)o3)S2)cc1 ZINC000408783707 529689932 /nfs/dbraw/zinc/68/99/32/529689932.db2.gz QHYRUHZTQCPCFW-NUVSWBFWSA-N 0 0 383.517 4.432 40 0 GIABRN COc1cccc(-c2cc(C(=O)N[C@H](c3ccc(C)cc3)c3cccnc3)[nH]n2)c1 ZINC000019136743 210228893 /nfs/dbraw/zinc/22/88/93/210228893.db2.gz SIWCBPNUMYGKCI-HSZRJFAPSA-N 0 0 398.466 4.308 40 0 GIABRN Cc1ccc(CC(=O)N2CCC[C@@H]2c2nc(C)ncc2-c2ccncc2C)cc1 ZINC000019209549 210228843 /nfs/dbraw/zinc/22/88/43/210228843.db2.gz XXEMPKMMKAIZOO-JOCHJYFZSA-N 0 0 386.499 4.370 40 0 GIABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)CC3CCCCC3)C1)N2 ZINC000019127665 210226924 /nfs/dbraw/zinc/22/69/24/210226924.db2.gz DWLMFEBUHITNHV-OKZBNKHCSA-N 0 0 394.510 4.391 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC(c3nc(C)cc(-c4nccs4)n3)CC2)s1 ZINC000019118540 210226286 /nfs/dbraw/zinc/22/62/86/210226286.db2.gz PAFCCBHRPKGFHH-UHFFFAOYSA-N 0 0 399.545 4.002 40 0 GIABRN C[C@H](C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1)n1ccnc1 ZINC000019080733 210225966 /nfs/dbraw/zinc/22/59/66/210225966.db2.gz FZQZXEIBAFWSFV-SNVBAGLBSA-N 0 0 381.288 4.437 40 0 GIABRN CC(=O)Nc1ccc(CCC2(NC(=O)c3ccccc3F)CCCCC2)cn1 ZINC000019022717 210224130 /nfs/dbraw/zinc/22/41/30/210224130.db2.gz BPNLABCCNQIUJG-UHFFFAOYSA-N 0 0 383.467 4.245 40 0 GIABRN CC(=O)N1CC[C@@](Cc2cccc(-c3ccc(F)cc3)c2)(C(=O)NC(C)(C)C)C1 ZINC000019016415 210221294 /nfs/dbraw/zinc/22/12/94/210221294.db2.gz DEVZJRAGNNABQO-DEOSSOPVSA-N 0 0 396.506 4.189 40 0 GIABRN COc1ccccc1OCCNC(=O)CC(c1ccccc1)c1ccccc1 ZINC000018075413 210213759 /nfs/dbraw/zinc/21/37/59/210213759.db2.gz TUPOJXCJQSGOJN-UHFFFAOYSA-N 0 0 375.468 4.412 40 0 GIABRN CN(C)c1ccc(N2C(=O)c3cccc4c(N5CCCC5)ccc(c43)C2=O)cc1 ZINC000408533069 529783126 /nfs/dbraw/zinc/78/31/26/529783126.db2.gz OAFDLEPAMHUYCK-UHFFFAOYSA-N 0 0 385.467 4.307 40 0 GIABRN O=C(Nc1ccccc1)N(Cc1ccccc1F)c1nnc2n1CCCCC2 ZINC000016769831 210197359 /nfs/dbraw/zinc/19/73/59/210197359.db2.gz YUHPZGOACBVKKQ-UHFFFAOYSA-N 0 0 379.439 4.382 40 0 GIABRN Cc1nc(NC(=O)CSc2ccc(Cl)cc2)nc2c1C(=O)CC(C)(C)C2 ZINC000016266315 210186523 /nfs/dbraw/zinc/18/65/23/210186523.db2.gz DRMMWUIARUJOHR-UHFFFAOYSA-N 0 0 389.908 4.324 40 0 GIABRN O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1ccc(Cl)cc1Cl ZINC000015582774 210159174 /nfs/dbraw/zinc/15/91/74/210159174.db2.gz MRNIAXFWMWQRJP-UHFFFAOYSA-N 0 0 394.233 4.432 40 0 GIABRN CC[C@H]1CCCCN1C(=O)c1cc(-c2ccc3c(c2)OCO3)nc2onc(C)c21 ZINC000036618389 210157062 /nfs/dbraw/zinc/15/70/62/210157062.db2.gz YVNMDHCFIMOMDB-HNNXBMFYSA-N 0 0 393.443 4.332 40 0 GIABRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccc2c(c1)OCO2 ZINC000408714415 530029505 /nfs/dbraw/zinc/02/95/05/530029505.db2.gz QDILKOZEGGERPM-UHFFFAOYSA-N 0 0 393.443 4.035 40 0 GIABRN CC(C)(C)c1ccc(OCC(=O)NCCc2ccccc2)c(Br)c1 ZINC000014649483 210123786 /nfs/dbraw/zinc/12/37/86/210123786.db2.gz QXSBXGPVTWYHBT-UHFFFAOYSA-N 0 0 390.321 4.484 40 0 GIABRN CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(F)cc1 ZINC000014081547 210101636 /nfs/dbraw/zinc/10/16/36/210101636.db2.gz WBIMUNJQKXJEEG-UHFFFAOYSA-N 0 0 390.871 4.488 40 0 GIABRN CC[C@H](C(=O)Nc1cccc(C)c1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712085 210083427 /nfs/dbraw/zinc/08/34/27/210083427.db2.gz RYPSELGLKKNREY-GOSISDBHSA-N 0 0 394.924 4.140 40 0 GIABRN Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 ZINC000013710618 210081335 /nfs/dbraw/zinc/08/13/35/210081335.db2.gz ZMJKWRGWPHECJG-SFHVURJKSA-N 0 0 386.923 4.381 40 0 GIABRN CC[C@@H](C(=O)Nc1ccccc1C(C)C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715639 210082760 /nfs/dbraw/zinc/08/27/60/210082760.db2.gz ZNZXYIBXRSRXNS-IBGZPJMESA-N 0 0 392.496 4.132 40 0 GIABRN CCc1ccc(NC(=O)[C@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000013716217 210082888 /nfs/dbraw/zinc/08/28/88/210082888.db2.gz AYLSUNPXLKMDGK-FQEVSTJZSA-N 0 0 388.533 4.049 40 0 GIABRN CC[C@H](C(=O)Nc1c(C)cccc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714121 210082355 /nfs/dbraw/zinc/08/23/55/210082355.db2.gz HFGYRXHUAMGAAX-QGZVFWFLSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@H](C(=O)Nc1ccc(Cl)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716126 210082256 /nfs/dbraw/zinc/08/22/56/210082256.db2.gz DRXLLICVKSNPAG-GOSISDBHSA-N 0 0 394.924 4.140 40 0 GIABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)COc1cccc2ccccc21 ZINC000013684206 210078992 /nfs/dbraw/zinc/07/89/92/210078992.db2.gz VABYJYIQZKPNQG-UHFFFAOYSA-N 0 0 376.456 4.386 40 0 GIABRN C[C@@H](Oc1cccc2ccccc21)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000013709140 210080625 /nfs/dbraw/zinc/08/06/25/210080625.db2.gz TYDWRGDAJWJRBH-QGZVFWFLSA-N 0 0 378.447 4.095 40 0 GIABRN Cc1cccc(CNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c1 ZINC000013670936 210078170 /nfs/dbraw/zinc/07/81/70/210078170.db2.gz XFDOKBITHIGWSZ-UHFFFAOYSA-N 0 0 394.496 4.034 40 0 GIABRN Cc1ccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccco2)C4)cc1 ZINC000013634268 210073954 /nfs/dbraw/zinc/07/39/54/210073954.db2.gz XYHCUNFCUHELLO-OAHLLOKOSA-N 0 0 390.468 4.231 40 0 GIABRN CN(c1ccc2sc(C(=O)Nc3ccccc3Cl)cc2c1)S(C)(=O)=O ZINC000013609751 210072194 /nfs/dbraw/zinc/07/21/94/210072194.db2.gz ZFTPERXDYJCJOT-UHFFFAOYSA-N 0 0 394.905 4.203 40 0 GIABRN Cc1ncccc1C(=O)NCCCn1c(-c2ccc(F)cc2)cc2cccnc21 ZINC000012222776 209923572 /nfs/dbraw/zinc/92/35/72/209923572.db2.gz CPOLCAOQKVZOBI-UHFFFAOYSA-N 0 0 388.446 4.366 40 0 GIABRN O=C1CCCN1c1cccc(NCc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)c1 ZINC000012144103 209913828 /nfs/dbraw/zinc/91/38/28/209913828.db2.gz FROFBALWBMFEFM-UHFFFAOYSA-N 0 0 393.874 4.434 40 0 GIABRN COc1ccc2c(c1)CCc1c-2nc2sc(C(N)=O)c(N)c2c1-c1ccco1 ZINC000008036215 209759905 /nfs/dbraw/zinc/75/99/05/209759905.db2.gz QCUASRREYOTAER-UHFFFAOYSA-N 0 0 391.452 4.012 40 0 GIABRN COc1cc2sc(NC(=S)NC(=O)c3ccccc3F)nc2cc1Cl ZINC000006646157 209662269 /nfs/dbraw/zinc/66/22/69/209662269.db2.gz ZHRWFHLENYPPMQ-UHFFFAOYSA-N 0 0 395.868 4.224 40 0 GIABRN CCOc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1Br ZINC000006595870 209659129 /nfs/dbraw/zinc/65/91/29/209659129.db2.gz PFNGKIJNPIRJEU-UHFFFAOYSA-N 0 0 378.310 4.402 40 0 GIABRN COc1ccc(-c2ccnc(SC(=O)c3cc(OC)cc(OC)c3)n2)cc1 ZINC000006182094 209635259 /nfs/dbraw/zinc/63/52/59/209635259.db2.gz RYZGZALZPBGVES-UHFFFAOYSA-N 0 0 382.441 4.102 40 0 GIABRN Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000035289375 209612171 /nfs/dbraw/zinc/61/21/71/209612171.db2.gz KXAIMHXSZXIXNL-QGZVFWFLSA-N 0 0 375.831 4.423 40 0 GIABRN Cc1nc2cc(-c3ccc(F)cc3)nn2c(NC[C@H](O)c2cccc(O)c2)c1C ZINC000004966835 209551060 /nfs/dbraw/zinc/55/10/60/209551060.db2.gz KJGPJPFJOWWPNH-FQEVSTJZSA-N 0 0 392.434 4.003 40 0 GIABRN CCc1cc2cc(OC)c(OC)cc2nc1SCC(=O)N1CCC[C@H](C)C1 ZINC000004857765 209533750 /nfs/dbraw/zinc/53/37/50/209533750.db2.gz OEKVIEKVEVQNDV-AWEZNQCLSA-N 0 0 388.533 4.165 40 0 GIABRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(F)c3)c2)cc1 ZINC000003548486 209445107 /nfs/dbraw/zinc/44/51/07/209445107.db2.gz MTOMBXYOBXLODD-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000003481602 209439664 /nfs/dbraw/zinc/43/96/64/209439664.db2.gz PNOCRLZOFXHCKK-UHFFFAOYSA-N 0 0 380.469 4.072 40 0 GIABRN CCn1nccc1CN(C)C(=O)c1ccccc1COc1ccc(F)cc1F ZINC000002788323 209385455 /nfs/dbraw/zinc/38/54/55/209385455.db2.gz QCOJEZKRGFAESC-UHFFFAOYSA-N 0 0 385.414 4.032 40 0 GIABRN Cc1ccccc1OCc1nc(-c2ccc(NC(=O)c3ccco3)cc2)no1 ZINC000002930862 209398267 /nfs/dbraw/zinc/39/82/67/209398267.db2.gz CIGGFRPDPSLZAT-UHFFFAOYSA-N 0 0 375.384 4.469 40 0 GIABRN COc1ccc(CCN2CCN(c3c(Cl)cccc3Cl)CC2)cc1OC ZINC000002572965 209369567 /nfs/dbraw/zinc/36/95/67/209369567.db2.gz QRCIYDSTKKDLBS-UHFFFAOYSA-N 0 0 395.330 4.375 40 0 GIABRN CC(C)Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCCCC2)cc1 ZINC000002750072 209382509 /nfs/dbraw/zinc/38/25/09/209382509.db2.gz UJXFTCMRRAVAAN-XLNRJJMWSA-N 0 0 392.499 4.257 40 0 GIABRN Cc1cc(C)c(NC(=O)CSc2nnc(C3CCCCC3)n2N)c(Cl)c1 ZINC000002391920 209361762 /nfs/dbraw/zinc/36/17/62/209361762.db2.gz LHSPSTKMPNPUHW-UHFFFAOYSA-N 0 0 393.944 4.041 40 0 GIABRN C[C@H]1CN(C(=O)c2ccccc2Cl)[C@@H](C)CN1C(=O)c1ccccc1Cl ZINC000001604148 209333778 /nfs/dbraw/zinc/33/37/78/209333778.db2.gz ONONIYBUAMVCQV-KBPBESRZSA-N 0 0 391.298 4.369 40 0 GIABRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)CCN2CCCCC2)c2ccccc2)cc1 ZINC000001558463 209332496 /nfs/dbraw/zinc/33/24/96/209332496.db2.gz OIXVUQFXNMNDDH-HSZRJFAPSA-N 0 0 399.556 4.345 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)OCc1ccccc1 ZINC000001703550 209337533 /nfs/dbraw/zinc/33/75/33/209337533.db2.gz NMHJRQVANBOHJR-UHFFFAOYSA-N 0 0 388.489 4.046 40 0 GIABRN CSc1ncc(Br)c(Nc2ccc(Br)cc2)n1 ZINC000001679405 209337676 /nfs/dbraw/zinc/33/76/76/209337676.db2.gz DGYJPZYMEUZIIC-UHFFFAOYSA-N 0 0 375.089 4.467 40 0 GIABRN CSc1nc2c(nc(=O)[nH]c2NCc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000001661459 209334864 /nfs/dbraw/zinc/33/48/64/209334864.db2.gz JJZIAGRFEUUKQT-UHFFFAOYSA-N 0 0 397.891 4.096 40 0 GIABRN Cc1sc2nc(C3CC3)nc(N3CCN(C(=O)C4CCCCC4)CC3)c2c1C ZINC000001377188 209323799 /nfs/dbraw/zinc/32/37/99/209323799.db2.gz YXMMBXFDJIBGSO-UHFFFAOYSA-N 0 0 398.576 4.414 40 0 GIABRN COc1ccc(N2C(=O)C[C@@H](Nc3ccc4c(c3)Cc3ccccc3-4)C2=O)cc1 ZINC000001442360 209328443 /nfs/dbraw/zinc/32/84/43/209328443.db2.gz AJXJRLIAXULCGF-JOCHJYFZSA-N 0 0 384.435 4.010 40 0 GIABRN CC1=Nc2ncnn2[C@@H](c2ccc(Cl)cc2)C1C(=O)OCCc1ccccc1 ZINC000000938909 209281144 /nfs/dbraw/zinc/28/11/44/209281144.db2.gz JXXRQFFAUNVBGK-IBGZPJMESA-N 0 0 394.862 4.006 40 0 GIABRN Cc1c(O)ccc2c1O[C@]1(C[C@H]2c2ccc(F)cc2)CC(C)(C)NC(=S)N1 ZINC000000875640 209274841 /nfs/dbraw/zinc/27/48/41/209274841.db2.gz MCXGYPFDJCUCGI-HRAATJIYSA-N 0 0 386.492 4.097 40 0 GIABRN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]12 ZINC000000866621 209274118 /nfs/dbraw/zinc/27/41/18/209274118.db2.gz KCUOVSVFHCHFRE-PGAZUGQPSA-N 0 0 393.486 4.295 40 0 GIABRN CCOP(=O)(NCCCCCCNP(=O)(OCC)OCC)OCC ZINC000096503544 209241077 /nfs/dbraw/zinc/24/10/77/209241077.db2.gz JEMFOZIVPLEZRU-UHFFFAOYSA-N 0 0 388.382 4.088 40 0 GIABRN Cc1cc(C)n(-c2nc3cc(C)c(I)c(C)c3s2)n1 ZINC000045888650 209195793 /nfs/dbraw/zinc/19/57/93/209195793.db2.gz BDRBWQFWVXOLTI-UHFFFAOYSA-N 0 0 383.258 4.320 40 0 GIABRN CCc1cc2nc(-c3ccc(OC)c(-n4cnnc4)c3)oc2c(Br)c1 ZINC000045920712 209195873 /nfs/dbraw/zinc/19/58/73/209195873.db2.gz PNEXVVGKAWUTBI-UHFFFAOYSA-N 0 0 399.248 4.409 40 0 GIABRN O=S(=O)(Nc1cccc(C(F)(F)F)c1F)c1cccc(Br)c1 ZINC000033916864 209193950 /nfs/dbraw/zinc/19/39/50/209193950.db2.gz FENQPLIRNVHIDZ-UHFFFAOYSA-N 0 0 398.175 4.408 40 0 GIABRN Cc1cccc(N(CC(=O)c2ccc3c(c2)OCCO3)C2=NCCCCC2)c1 ZINC000008414584 212073939 /nfs/dbraw/zinc/07/39/39/212073939.db2.gz ZPWGCWXOICLNRU-UHFFFAOYSA-N 0 0 378.472 4.428 40 0 GIABRN CN(Cc1cccc(F)c1)[C@H]1CCCn2c1cnc2C(=O)N(C)C1CCCCC1 ZINC000306136391 212050471 /nfs/dbraw/zinc/05/04/71/212050471.db2.gz PSHIGABFRAITIV-FQEVSTJZSA-N 0 0 398.526 4.394 40 0 GIABRN Cc1ccc(CN2C[C@@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@@H]3C2)s1 ZINC000306129573 212047162 /nfs/dbraw/zinc/04/71/62/212047162.db2.gz IHCPDSURUBLFDO-YLJYHZDGSA-N 0 0 385.510 4.072 40 0 GIABRN O=C(Nc1ccccc1)N1CCC[C@@]2(CN(Cc3cccs3)CCO2)CC1 ZINC000306128903 212047022 /nfs/dbraw/zinc/04/70/22/212047022.db2.gz HNZJGVAZABDGQR-NRFANRHFSA-N 0 0 385.533 4.037 40 0 GIABRN O=C(NC1CCCCCC1)c1nc(-c2ccnn2C2CCCC2)n2ccncc12 ZINC000306130803 212049639 /nfs/dbraw/zinc/04/96/39/212049639.db2.gz JPVNABJNEIYDQC-UHFFFAOYSA-N 0 0 392.507 4.161 40 0 GIABRN c1cc(CN2Cc3ccccc3-c3nc(NCc4cccnc4)ncc3C2)co1 ZINC000306130086 212047769 /nfs/dbraw/zinc/04/77/69/212047769.db2.gz IVYLMKSQNONMNH-UHFFFAOYSA-N 0 0 383.455 4.260 40 0 GIABRN Cc1ccc(CN2C[C@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@@H]3C2)s1 ZINC000306125550 212045331 /nfs/dbraw/zinc/04/53/31/212045331.db2.gz CTTNPNRUQVOXTO-AZUAARDMSA-N 0 0 385.510 4.072 40 0 GIABRN O=C(c1cccnc1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257345010 212028227 /nfs/dbraw/zinc/02/82/27/212028227.db2.gz ZZOMTSLDGOYZAZ-KRWDZBQOSA-N 0 0 381.863 4.334 40 0 GIABRN CCCNC(=O)C1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCOCC1 ZINC000257332370 212025727 /nfs/dbraw/zinc/02/57/27/212025727.db2.gz XWZDIJXTISVZRR-UHFFFAOYSA-N 0 0 385.479 4.367 40 0 GIABRN COc1cccc(F)c1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)C(C)C ZINC000257326485 212025758 /nfs/dbraw/zinc/02/57/58/212025758.db2.gz WXJGNQJDFQCVMS-XTNSEPEOSA-N 0 0 389.511 4.489 40 0 GIABRN O=C(N1CCC[C@H](Cc2cccnc2)C1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000257333679 212026841 /nfs/dbraw/zinc/02/68/41/212026841.db2.gz YCPLTLYDVOHEQG-LJQANCHMSA-N 0 0 398.934 4.265 40 0 GIABRN O=C(c1ccnc(Cc2ccccc2)c1)N1CC[C@@H](c2ncn3ccsc23)C1 ZINC000257334298 212026344 /nfs/dbraw/zinc/02/63/44/212026344.db2.gz YFHNBWPGNQZODN-GOSISDBHSA-N 0 0 388.496 4.011 40 0 GIABRN CC(=O)N[C@]1(C)C[C@H](c2ccc(Cn3cccn3)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257321505 212023468 /nfs/dbraw/zinc/02/34/68/212023468.db2.gz WBYQLAWZAGIPEP-ZLVRZWSFSA-N 0 0 381.520 4.092 40 0 GIABRN COCCC(=O)N[C@]1(C)C[C@H](c2cc(F)ccc2F)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257311428 212022154 /nfs/dbraw/zinc/02/21/54/212022154.db2.gz UJKNQCMJBZVGAY-UFXVLNHOSA-N 0 0 381.463 4.142 40 0 GIABRN Cc1cnc(Nc2cc([C@H]3CCN(C(=O)C4CCCCC4)C3)nc(C)n2)s1 ZINC000257308604 212022050 /nfs/dbraw/zinc/02/20/50/212022050.db2.gz TXIWGIZHHCKUOV-INIZCTEOSA-N 0 0 385.537 4.190 40 0 GIABRN CC(=O)N[C@]1(C)C[C@@H](CC2=C(C)CCCC2(C)C)O[C@H]2[C@H](O)C(C)=CC[C@H]21 ZINC000257300368 212020708 /nfs/dbraw/zinc/02/07/08/212020708.db2.gz RUAOLZFUSOIOFL-OPYGSTPGSA-N 0 0 375.553 4.283 40 0 GIABRN Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)C1 ZINC000257292952 212018517 /nfs/dbraw/zinc/01/85/17/212018517.db2.gz QNOWHINNUHYVDH-LJQANCHMSA-N 0 0 375.472 4.463 40 0 GIABRN Cc1ccc2c(c1)OC1(CCN(Cc3ncccc3F)CC1)[C@H]1CCCO[C@H]21 ZINC000257292405 212018200 /nfs/dbraw/zinc/01/82/00/212018200.db2.gz QLHLXZXAMPCLML-PGRDOPGGSA-N 0 0 382.479 4.424 40 0 GIABRN Cc1nnc(C2CC[NH+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)CC2)o1 ZINC000257291177 212018280 /nfs/dbraw/zinc/01/82/80/212018280.db2.gz QFZIMNISYLNCBG-UHFFFAOYSA-N 0 0 377.444 4.123 40 0 GIABRN COc1cccc(CC(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)c1 ZINC000257279737 212016432 /nfs/dbraw/zinc/01/64/32/212016432.db2.gz OHYJATWIIFFCSX-OAQYLSRUSA-N 0 0 394.446 4.319 40 0 GIABRN COCCCNC(=O)C1(Cc2cccc(-c3cc(C)cc(C)c3)c2)CCOCC1 ZINC000257268534 212014836 /nfs/dbraw/zinc/01/48/36/212014836.db2.gz MMDNDCZOHZDLTN-UHFFFAOYSA-N 0 0 395.543 4.462 40 0 GIABRN COCCC(=O)N[C@@H]1C[C@H](c2ccc(OC(C)C)cc2)O[C@@H]2CCCC[C@@H]12 ZINC000257269251 212013896 /nfs/dbraw/zinc/01/38/96/212013896.db2.gz MPFDWKAJSVZFJO-DOIPELPJSA-N 0 0 375.509 4.015 40 0 GIABRN O=C(c1cncs1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257270676 212013938 /nfs/dbraw/zinc/01/39/38/212013938.db2.gz MVFRGVDPVVKIRT-AWEZNQCLSA-N 0 0 387.892 4.395 40 0 GIABRN FC(F)(F)Oc1cccc(Nc2cc(C3CC3)nc(NC3CCCC3)n2)c1 ZINC000329025195 209158373 /nfs/dbraw/zinc/15/83/73/209158373.db2.gz PEEHHKMPOWUWTF-UHFFFAOYSA-N 0 0 378.398 4.195 40 0 GIABRN C[C@@H]1CC[C@@H]2[C@@H](O1)c1c(O)cccc1OC21CCN(C(=O)OC(C)(C)C)CC1 ZINC000257264741 212012778 /nfs/dbraw/zinc/01/27/78/212012778.db2.gz LVWJYWKAHNLTJZ-SPYBWZPUSA-N 0 0 389.492 4.411 40 0 GIABRN CCNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2ccccn2)n1 ZINC000329045026 209158230 /nfs/dbraw/zinc/15/82/30/209158230.db2.gz TUCPHNONOREPSM-UHFFFAOYSA-N 0 0 393.800 4.230 40 0 GIABRN CC(C)(C)C(=O)N1CCC[C@@H]1c1ccnc(N2CC3(CCCCC3)OC2=O)c1 ZINC000257260807 212012597 /nfs/dbraw/zinc/01/25/97/212012597.db2.gz LELLNLVKAJHBSP-QGZVFWFLSA-N 0 0 385.508 4.451 40 0 GIABRN COC(C)(C)C(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257255677 212012748 /nfs/dbraw/zinc/01/27/48/212012748.db2.gz KILRHGYQWMPCJP-KRWDZBQOSA-N 0 0 376.884 4.397 40 0 GIABRN Cc1noc(C)c1-c1cc([C@H]2CCCN2C(=O)Cc2ccccc2F)nc(C)n1 ZINC000257256983 212012169 /nfs/dbraw/zinc/01/21/69/212012169.db2.gz KNPXLPWXQHEYTM-HXUWFJFHSA-N 0 0 394.450 4.102 40 0 GIABRN Cc1ncsc1C(=O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257247106 212010626 /nfs/dbraw/zinc/01/06/26/212010626.db2.gz IXMYZLAHAKFULF-HNNXBMFYSA-N 0 0 385.464 4.189 40 0 GIABRN COc1ccccc1C(=O)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257235211 212009010 /nfs/dbraw/zinc/00/90/10/212009010.db2.gz GWWZCZQZHUIJAK-KRWDZBQOSA-N 0 0 394.446 4.433 40 0 GIABRN CC(=O)N[C@]1(C)C[C@H](c2ccc(-n3ccnc3C)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257243134 212009096 /nfs/dbraw/zinc/00/90/96/212009096.db2.gz IFPGFCNOLFFMQH-ZSNNFYQVSA-N 0 0 381.520 4.342 40 0 GIABRN CC(=O)N[C@@H]1C[C@H](c2ccc(Oc3ccccc3)cc2)OC2(CCOCC2)C1 ZINC000257239055 212008930 /nfs/dbraw/zinc/00/89/30/212008930.db2.gz HNTLDWFJNIHLTJ-DENIHFKCSA-N 0 0 381.472 4.384 40 0 GIABRN CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)CC)CC1 ZINC000257238023 212008652 /nfs/dbraw/zinc/00/86/52/212008652.db2.gz HJGGYAKUNJNCQD-UHFFFAOYSA-N 0 0 378.516 4.051 40 0 GIABRN Cc1cnc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cn1 ZINC000257238900 212008553 /nfs/dbraw/zinc/00/85/53/212008553.db2.gz HNAIESDZVNHVQO-IBGZPJMESA-N 0 0 396.878 4.385 40 0 GIABRN CC(C)Nc1nc(NCc2ccccc2Br)cc(-c2ccccc2)n1 ZINC000329054896 209159216 /nfs/dbraw/zinc/15/92/16/209159216.db2.gz VMNIIPBEXHBTJS-UHFFFAOYSA-N 0 0 397.320 4.182 40 0 GIABRN FC(F)(F)c1ccccc1Cc1cccc([C@H]2CN(CC3CC3)CCO2)n1 ZINC000257235032 212008439 /nfs/dbraw/zinc/00/84/39/212008439.db2.gz GWDKMKLHMZYKIQ-HXUWFJFHSA-N 0 0 376.422 4.475 40 0 GIABRN O=C(c1cnccn1)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257233434 212006517 /nfs/dbraw/zinc/00/65/17/212006517.db2.gz GPGDLCNXLIFLKD-GOSISDBHSA-N 0 0 382.851 4.076 40 0 GIABRN COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3ncccc3C)o2)c1 ZINC000257224113 212005848 /nfs/dbraw/zinc/00/58/48/212005848.db2.gz FAJVWKJJJNRMJU-FQEVSTJZSA-N 0 0 391.471 4.345 40 0 GIABRN COc1cccc2c1OC1(CCN(Cc3ccc(F)cn3)CC1)[C@H]1CCCO[C@H]21 ZINC000257221554 212005567 /nfs/dbraw/zinc/00/55/67/212005567.db2.gz DPOFMZIEPSDLFZ-PZJWPPBQSA-N 0 0 398.478 4.124 40 0 GIABRN O=C(c1cncc(-c2cncnc2)c1)N1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1ccccc1 ZINC000257221050 212005558 /nfs/dbraw/zinc/00/55/58/212005558.db2.gz DNHQNYPSDKDJJI-YOSAUDMPSA-N 0 0 398.510 4.270 40 0 GIABRN O=C(c1ccccc1)N1CCO[C@H](c2cccc(-c3c(F)cccc3F)n2)C1 ZINC000257215623 212005198 /nfs/dbraw/zinc/00/51/98/212005198.db2.gz CQXRLWRPDXLYQG-FQEVSTJZSA-N 0 0 380.394 4.241 40 0 GIABRN CC(C)c1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)n(C)n1 ZINC000257219034 212004827 /nfs/dbraw/zinc/00/48/27/212004827.db2.gz DFIVZQQZCVKMKR-IBGZPJMESA-N 0 0 396.466 4.239 40 0 GIABRN O=C(c1ccccc1)N1CCO[C@@H](c2cccc(-c3c(F)cccc3F)n2)C1 ZINC000257215624 212004781 /nfs/dbraw/zinc/00/47/81/212004781.db2.gz CQXRLWRPDXLYQG-HXUWFJFHSA-N 0 0 380.394 4.241 40 0 GIABRN CNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)CC(C)C)CC1 ZINC000257212482 212004265 /nfs/dbraw/zinc/00/42/65/212004265.db2.gz CDQNDRSICVBNOB-UHFFFAOYSA-N 0 0 392.543 4.297 40 0 GIABRN Fc1ccc(CNc2cc(-c3ccccc3)nc(NC3CCCC3)n2)cc1F ZINC000329033385 209157560 /nfs/dbraw/zinc/15/75/60/209157560.db2.gz QUHYXTOUIWJEFB-UHFFFAOYSA-N 0 0 380.442 4.232 40 0 GIABRN O=C(c1cccnc1)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257203897 212003629 /nfs/dbraw/zinc/00/36/29/212003629.db2.gz ASDCOHPYUGKRDT-KRWDZBQOSA-N 0 0 381.863 4.334 40 0 GIABRN CCCNC(=O)C1(Cc2cccc(-c3cc(F)ccc3OC)c2)CCOCC1 ZINC000257197649 212002039 /nfs/dbraw/zinc/00/20/39/212002039.db2.gz FOUXAZAECZHGDF-UHFFFAOYSA-N 0 0 385.479 4.367 40 0 GIABRN CC1(C)C[C@H]2[C@H](CCC[N@@H+]2CCCC(=O)[O-])N1c1cccc(C(F)(F)F)c1 ZINC000257202384 212001826 /nfs/dbraw/zinc/00/18/26/212001826.db2.gz ALNHEDUMIHEAEI-IRXDYDNUSA-N 0 0 384.442 4.392 40 0 GIABRN COc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)C(C)C)c1F ZINC000257200828 212001578 /nfs/dbraw/zinc/00/15/78/212001578.db2.gz AFBFVEDSEYBZPP-HDBKPMCMSA-N 0 0 389.511 4.489 40 0 GIABRN Brc1ccc2c(c1)CN(c1ccnc(NCc3ccccc3)n1)CC2 ZINC000329026702 209157292 /nfs/dbraw/zinc/15/72/92/209157292.db2.gz PORYQSJEZVLKAW-UHFFFAOYSA-N 0 0 395.304 4.414 40 0 GIABRN Cc1ccc(Cl)cc1Nc1cc(-c2cccnc2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329024860 209157301 /nfs/dbraw/zinc/15/73/01/209157301.db2.gz PCIZTEDFYJKPTF-IBGZPJMESA-N 0 0 397.910 4.095 40 0 GIABRN Fc1cc(F)c(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)c(F)c1 ZINC000328983156 209156261 /nfs/dbraw/zinc/15/62/61/209156261.db2.gz HEFQSIXDJHDJGT-UHFFFAOYSA-N 0 0 399.420 4.288 40 0 GIABRN Cc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NCc2ccccc2Cl)n1 ZINC000225938271 211935577 /nfs/dbraw/zinc/93/55/77/211935577.db2.gz AXOUXRFSEIZSII-AWEZNQCLSA-N 0 0 389.956 4.304 40 0 GIABRN COc1ccc(C2OCC(C)(C(=O)Nc3ccc(OC(C)C)cc3)CO2)cc1 ZINC000225916553 211934896 /nfs/dbraw/zinc/93/48/96/211934896.db2.gz RPIIDZCTMDSNCO-UHFFFAOYSA-N 0 0 385.460 4.173 40 0 GIABRN COc1ccc(C2(NC(=S)Nc3ccc(OC)cc3OC)CCCC2)cc1 ZINC000225848844 211932380 /nfs/dbraw/zinc/93/23/80/211932380.db2.gz FKOHTYPTHTZOQO-UHFFFAOYSA-N 0 0 386.517 4.468 40 0 GIABRN Cc1cccc(-c2noc(CCC(=O)N3CCC(Cc4ccccc4)CC3)n2)c1 ZINC000225814301 211929295 /nfs/dbraw/zinc/92/92/95/211929295.db2.gz PVXMWWUODCDFDM-UHFFFAOYSA-N 0 0 389.499 4.459 40 0 GIABRN CCOC(=O)c1cc(NC(=S)N[C@@H](C)COc2ccccc2)ccc1Cl ZINC000225783745 211927058 /nfs/dbraw/zinc/92/70/58/211927058.db2.gz HUDDQRLJNMYAGF-ZDUSSCGKSA-N 0 0 392.908 4.271 40 0 GIABRN CCOc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)cc2)c1 ZINC000225767195 211925039 /nfs/dbraw/zinc/92/50/39/211925039.db2.gz FVNUIGUDWKJMQL-QNGOZBTKSA-N 0 0 390.439 4.396 40 0 GIABRN CCOc1cc(CNC(=O)[C@H](C)Oc2cccc3c2CCCC3)ccc1OC ZINC000225660898 211913922 /nfs/dbraw/zinc/91/39/22/211913922.db2.gz HYCXSHLXZIHNIL-INIZCTEOSA-N 0 0 383.488 4.056 40 0 GIABRN COc1ccc(-c2nnsc2C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000225762993 211924009 /nfs/dbraw/zinc/92/40/09/211924009.db2.gz AXPHRCYQBXWBJF-UHFFFAOYSA-N 0 0 393.512 4.309 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1F ZINC000225526823 211905236 /nfs/dbraw/zinc/90/52/36/211905236.db2.gz UXRKXSMGVFDYQI-GCJKJVERSA-N 0 0 398.522 4.399 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)NCCCc2cccc(OC)c2)c(C)c1 ZINC000225554262 211904198 /nfs/dbraw/zinc/90/41/98/211904198.db2.gz RKPOUHAOOTTWHQ-UHFFFAOYSA-N 0 0 386.517 4.100 40 0 GIABRN CC(C)Oc1cccc(CNC(=S)Nc2cccc(N3CCCC3=O)c2)c1 ZINC000225524941 211902783 /nfs/dbraw/zinc/90/27/83/211902783.db2.gz DRDGCWVDMBHEAA-UHFFFAOYSA-N 0 0 383.517 4.087 40 0 GIABRN CCOc1ccc(CCCNC(=S)Nc2cccc(C(=O)OC)c2C)cc1 ZINC000225622408 211911015 /nfs/dbraw/zinc/91/10/15/211911015.db2.gz KUBJDFYYQJLRMO-UHFFFAOYSA-N 0 0 386.517 4.100 40 0 GIABRN C[C@@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(F)cc1 ZINC000225474679 211899885 /nfs/dbraw/zinc/89/98/85/211899885.db2.gz JHLKVZVDUUGFIO-OAHLLOKOSA-N 0 0 385.508 4.499 40 0 GIABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000225470388 211898098 /nfs/dbraw/zinc/89/80/98/211898098.db2.gz WIDXURYVUXAUSQ-LJQANCHMSA-N 0 0 396.531 4.131 40 0 GIABRN CCOc1ccc(CNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000225432262 211897091 /nfs/dbraw/zinc/89/70/91/211897091.db2.gz AQSBUWAISXDWJA-UHFFFAOYSA-N 0 0 397.544 4.198 40 0 GIABRN CCOC(=O)c1cc(NC(=S)NCCCc2ccccc2)ccc1Cl ZINC000225385543 211893756 /nfs/dbraw/zinc/89/37/56/211893756.db2.gz ULRAWAUBHAXGNM-UHFFFAOYSA-N 0 0 376.909 4.436 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1cccc(C)c1 ZINC000225200117 211887551 /nfs/dbraw/zinc/88/75/51/211887551.db2.gz DUAVFUYOPMXLFH-SFHVURJKSA-N 0 0 384.495 4.010 40 0 GIABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(C(F)(F)F)nc(NC(C)C)n1 ZINC000328970698 209153987 /nfs/dbraw/zinc/15/39/87/209153987.db2.gz DLFLQGCXRLHMHB-UHFFFAOYSA-N 0 0 378.320 4.230 40 0 GIABRN CCNc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(-c2cccnc2)n1 ZINC000328970326 209153737 /nfs/dbraw/zinc/15/37/37/209153737.db2.gz DIVXIAPVHMQLJF-UHFFFAOYSA-N 0 0 389.381 4.343 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccccc1 ZINC000225104864 211884432 /nfs/dbraw/zinc/88/44/32/211884432.db2.gz XMIKPDRAMSZFGJ-QFIPXVFZSA-N 0 0 380.532 4.261 40 0 GIABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc2c(c1)sc(=O)n2CC ZINC000225121927 211883481 /nfs/dbraw/zinc/88/34/81/211883481.db2.gz KNHKIDVBNMSRMH-KRWDZBQOSA-N 0 0 384.501 4.496 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 ZINC000225091245 211882835 /nfs/dbraw/zinc/88/28/35/211882835.db2.gz DHYHQRUWHFKYOL-MSOLQXFVSA-N 0 0 384.495 4.009 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 ZINC000225097364 211882936 /nfs/dbraw/zinc/88/29/36/211882936.db2.gz NLJIMARZOUZLKB-UXHICEINSA-N 0 0 380.532 4.260 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)COc1ccc(OC)cc1 ZINC000225030397 211879827 /nfs/dbraw/zinc/87/98/27/211879827.db2.gz UJBOQQVWONFVME-GAJHUEQPSA-N 0 0 397.515 4.315 40 0 GIABRN O=C(CCc1ncc(-c2ccc(Br)cc2)o1)N1CCCCCC1 ZINC000224879612 211874653 /nfs/dbraw/zinc/87/46/53/211874653.db2.gz AMVYKZBRQBSEGL-UHFFFAOYSA-N 0 0 377.282 4.439 40 0 GIABRN CCOc1ccc(-c2noc(CNC(=O)C3(c4ccccc4)CCCC3)n2)cc1 ZINC000224901633 211875252 /nfs/dbraw/zinc/87/52/52/211875252.db2.gz MIDUGWWZPAOQPD-UHFFFAOYSA-N 0 0 391.471 4.264 40 0 GIABRN CCC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224901254 211875329 /nfs/dbraw/zinc/87/53/29/211875329.db2.gz GTRDLLNTLRBKSC-FQEVSTJZSA-N 0 0 386.923 4.215 40 0 GIABRN CCCC[C@@H](CC)CNC(=O)CCCN(c1c(C)cccc1C)S(C)(=O)=O ZINC000224651962 211868465 /nfs/dbraw/zinc/86/84/65/211868465.db2.gz JUDXAGAYSHTYAV-LJQANCHMSA-N 0 0 396.597 4.182 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 ZINC000224632178 211867985 /nfs/dbraw/zinc/86/79/85/211867985.db2.gz XDWUDOJUVURMHC-GOSISDBHSA-N 0 0 384.545 4.031 40 0 GIABRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)c1 ZINC000224527758 211865370 /nfs/dbraw/zinc/86/53/70/211865370.db2.gz SYTNSRVPSKBZMT-SFTDATJTSA-N 0 0 392.528 4.223 40 0 GIABRN Cc1ccccc1NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 ZINC000224404785 211862147 /nfs/dbraw/zinc/86/21/47/211862147.db2.gz SDAJEVHLOGFTFQ-UHFFFAOYSA-N 0 0 394.496 4.068 40 0 GIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000224371007 211861730 /nfs/dbraw/zinc/86/17/30/211861730.db2.gz GBDDLTLIXYKMAG-SUMWQHHRSA-N 0 0 377.868 4.392 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1C ZINC000224554320 211865552 /nfs/dbraw/zinc/86/55/52/211865552.db2.gz ZZBZTWCIHGSRPJ-JOCHJYFZSA-N 0 0 380.532 4.117 40 0 GIABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000224154627 211855724 /nfs/dbraw/zinc/85/57/24/211855724.db2.gz MOIRJEJTIICSKD-HSZRJFAPSA-N 0 0 392.543 4.404 40 0 GIABRN Cc1ccc(OCCNC(=O)COc2cccc(C(F)(F)F)c2)cc1Cl ZINC000224194891 211855420 /nfs/dbraw/zinc/85/54/20/211855420.db2.gz MAFMEHUOTRJNAK-UHFFFAOYSA-N 0 0 387.785 4.241 40 0 GIABRN CC[C@@H](Oc1ccccc1OC)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000224288577 211859619 /nfs/dbraw/zinc/85/96/19/211859619.db2.gz ITQXVYYWBVDUPC-OAHLLOKOSA-N 0 0 383.473 4.318 40 0 GIABRN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 ZINC000224320995 211858953 /nfs/dbraw/zinc/85/89/53/211858953.db2.gz PNLNQSZMQIGKQS-JKSUJKDBSA-N 0 0 383.488 4.227 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccccc1 ZINC000224253530 211858282 /nfs/dbraw/zinc/85/82/82/211858282.db2.gz NMVRXVJGLMCUSM-JOCHJYFZSA-N 0 0 396.531 4.098 40 0 GIABRN COC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3)c2)cc1 ZINC000224089233 211851462 /nfs/dbraw/zinc/85/14/62/211851462.db2.gz YDCZJRBYRDMZFZ-UHFFFAOYSA-N 0 0 391.423 4.313 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000224067145 211851030 /nfs/dbraw/zinc/85/10/30/211851030.db2.gz RSBHJASHTCCMBC-QHCPKHFHSA-N 0 0 394.559 4.304 40 0 GIABRN Cc1cc(C(=O)Nc2ccc(F)cc2)ccc1N(C)S(=O)(=O)c1ccccc1 ZINC000224192101 211854971 /nfs/dbraw/zinc/85/49/71/211854971.db2.gz GKBMZTPHDTVPAI-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN S=C(NCc1ccc2c(c1)OCCO2)Nc1ccc(Oc2ccccc2)nc1 ZINC000224051939 211852547 /nfs/dbraw/zinc/85/25/47/211852547.db2.gz RIGKNCCBMOLLHQ-UHFFFAOYSA-N 0 0 393.468 4.132 40 0 GIABRN COc1cc(C)c(S(=O)(=O)N[C@H](C)COc2ccccc2C)cc1C(C)C ZINC000223890156 211848228 /nfs/dbraw/zinc/84/82/28/211848228.db2.gz VWRJRWGFZVCVDH-QGZVFWFLSA-N 0 0 391.533 4.181 40 0 GIABRN CN(c1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1)S(C)(=O)=O ZINC000223861327 211846685 /nfs/dbraw/zinc/84/66/85/211846685.db2.gz GJEMCZUIBMLUMB-UHFFFAOYSA-N 0 0 394.452 4.234 40 0 GIABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)cc1 ZINC000223838730 211845921 /nfs/dbraw/zinc/84/59/21/211845921.db2.gz PNOMUCFMTPCWBK-PMACEKPBSA-N 0 0 378.501 4.294 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F ZINC000223746989 211845440 /nfs/dbraw/zinc/84/54/40/211845440.db2.gz WFZFCCRHBIEMPS-JOCHJYFZSA-N 0 0 398.522 4.400 40 0 GIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223761233 211844672 /nfs/dbraw/zinc/84/46/72/211844672.db2.gz XMCWRFNIQFDZJI-AVRDEDQJSA-N 0 0 398.522 4.480 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 ZINC000223655145 211840458 /nfs/dbraw/zinc/84/04/58/211840458.db2.gz HIKXYOHEADAMCB-QFIPXVFZSA-N 0 0 396.531 4.098 40 0 GIABRN CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(CC)c2)cc1 ZINC000223687238 211839878 /nfs/dbraw/zinc/83/98/78/211839878.db2.gz UGPSVDRJYMDKGN-UHFFFAOYSA-N 0 0 391.489 4.015 40 0 GIABRN Cc1ccc(CS(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)C)cc3)no2)cc1 ZINC000223626903 211837696 /nfs/dbraw/zinc/83/76/96/211837696.db2.gz RCYLQSDZCPELAL-UHFFFAOYSA-N 0 0 399.516 4.130 40 0 GIABRN O=C(COc1ccc2c(c1)CCCC2)NCCOc1cccc2ccccc21 ZINC000223572830 211837096 /nfs/dbraw/zinc/83/70/96/211837096.db2.gz ZQAYPFAZQFMAEW-UHFFFAOYSA-N 0 0 375.468 4.293 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl ZINC000223587479 211836301 /nfs/dbraw/zinc/83/63/01/211836301.db2.gz YJEIHBIITDVZNF-QGZVFWFLSA-N 0 0 386.923 4.134 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000223150610 211823400 /nfs/dbraw/zinc/82/34/00/211823400.db2.gz LDDVAJFEEZEOFR-FQEVSTJZSA-N 0 0 386.923 4.053 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C ZINC000223142754 211822876 /nfs/dbraw/zinc/82/28/76/211822876.db2.gz LIWDCGBJHDEAFM-FQEVSTJZSA-N 0 0 380.532 4.180 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 ZINC000223283335 211826524 /nfs/dbraw/zinc/82/65/24/211826524.db2.gz OCRSGOBABVMFKW-GOSISDBHSA-N 0 0 384.495 4.010 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223079358 211821842 /nfs/dbraw/zinc/82/18/42/211821842.db2.gz BEVMZRRDVILOBB-NRFANRHFSA-N 0 0 394.559 4.488 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 ZINC000223045734 211819399 /nfs/dbraw/zinc/81/93/99/211819399.db2.gz UZYFJPGZBQDXJM-IBGZPJMESA-N 0 0 398.572 4.421 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)COc3ccccc3C(C)(C)C)n2)cc1 ZINC000222803091 211811787 /nfs/dbraw/zinc/81/17/87/211811787.db2.gz BSFRGCVKCJWONI-UHFFFAOYSA-N 0 0 393.487 4.380 40 0 GIABRN CCc1ccc(O[C@@H](CC)C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000222900947 211816063 /nfs/dbraw/zinc/81/60/63/211816063.db2.gz FAJIBUZDFWPNMH-IBGZPJMESA-N 0 0 379.460 4.081 40 0 GIABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222902176 211816113 /nfs/dbraw/zinc/81/61/13/211816113.db2.gz KLFCZPCBXWHOKM-IBGZPJMESA-N 0 0 394.559 4.123 40 0 GIABRN COc1ccc(C(=O)N2c3ccc(Br)cc3C[C@H]2C)cc1OC ZINC000222933252 211815779 /nfs/dbraw/zinc/81/57/79/211815779.db2.gz NJXOCUPFSIWYQS-LLVKDONJSA-N 0 0 376.250 4.058 40 0 GIABRN Cc1cc(C)cc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222903932 211815431 /nfs/dbraw/zinc/81/54/31/211815431.db2.gz MMGJDJDWNNWBHP-GOSISDBHSA-N 0 0 398.522 4.317 40 0 GIABRN Cc1ccccc1CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)(C)C ZINC000222903615 211815227 /nfs/dbraw/zinc/81/52/27/211815227.db2.gz RAULDAJBKQDDRY-QGZVFWFLSA-N 0 0 384.495 4.009 40 0 GIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(OC)cc1 ZINC000222887594 211813651 /nfs/dbraw/zinc/81/36/51/211813651.db2.gz IERFRDPRLQZNCN-LEWJYISDSA-N 0 0 392.528 4.263 40 0 GIABRN COc1ccc(-c2noc(CNC(=O)CCc3cccc4ccccc43)n2)cc1 ZINC000222679319 211806639 /nfs/dbraw/zinc/80/66/39/211806639.db2.gz UVGWQNNRVWNOBZ-UHFFFAOYSA-N 0 0 387.439 4.147 40 0 GIABRN CCOc1cc2c(cc1[C@H]1[C@H](c3ccccn3)N=C3SC[C@@H](CC)N31)OCO2 ZINC000222650847 211806179 /nfs/dbraw/zinc/80/61/79/211806179.db2.gz IURPESXPDIBJPM-CWVNLOTRSA-N 0 0 397.500 4.188 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccccc1 ZINC000222568146 211805681 /nfs/dbraw/zinc/80/56/81/211805681.db2.gz BRPIHHOYRJMWBM-NFBKMPQASA-N 0 0 394.559 4.384 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C ZINC000222777395 211809785 /nfs/dbraw/zinc/80/97/85/211809785.db2.gz XXGJDVIYHFNUQF-CQSZACIVSA-N 0 0 393.314 4.008 40 0 GIABRN COc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1C ZINC000222560200 211802685 /nfs/dbraw/zinc/80/26/85/211802685.db2.gz VZSOQVZOXVEANL-UHFFFAOYSA-N 0 0 380.488 4.201 40 0 GIABRN CC[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220559219 211785874 /nfs/dbraw/zinc/78/58/74/211785874.db2.gz WHTGQBZMRPTXAG-SFHVURJKSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@H](C(=O)Nc1cc(Cl)ccc1C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220502745 211786527 /nfs/dbraw/zinc/78/65/27/211786527.db2.gz HXFOVANCJYJZBZ-GOSISDBHSA-N 0 0 394.924 4.140 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccc(C)cc1C ZINC000219534644 211772554 /nfs/dbraw/zinc/77/25/54/211772554.db2.gz HHYNLUSCCVYFGQ-APWZRJJASA-N 0 0 383.488 4.498 40 0 GIABRN CCOc1ccc(NC(=O)COc2cc(C)c(Br)c(C)c2)cc1 ZINC000218832727 211763648 /nfs/dbraw/zinc/76/36/48/211763648.db2.gz JPZHVLXZJHAOHY-UHFFFAOYSA-N 0 0 378.266 4.482 40 0 GIABRN Cc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cccc4ccccc43)n2)cc1 ZINC000219048660 211765673 /nfs/dbraw/zinc/76/56/73/211765673.db2.gz DWICFBUESSEYPE-INIZCTEOSA-N 0 0 387.439 4.282 40 0 GIABRN COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 ZINC000219024358 211765026 /nfs/dbraw/zinc/76/50/26/211765026.db2.gz VDXBEKQSUKSQJB-IAGOWNOFSA-N 0 0 379.456 4.199 40 0 GIABRN COc1cc2cc(CNc3cc(-n4cccc4)ccc3C)c(=O)[nH]c2cc1OC ZINC000013561309 211700838 /nfs/dbraw/zinc/70/08/38/211700838.db2.gz QKMKWJLIPHRMCE-UHFFFAOYSA-N 0 0 389.455 4.257 40 0 GIABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(I)cc2C)cc1 ZINC000008477643 211630683 /nfs/dbraw/zinc/63/06/83/211630683.db2.gz PQRHKJKSNBZAAS-CYBMUJFWSA-N 0 0 395.240 4.314 40 0 GIABRN COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3Cl)OC2=O)c(OC)c1 ZINC000001516112 211612061 /nfs/dbraw/zinc/61/20/61/211612061.db2.gz LXWNYMDBAOIXFP-VIZOYTHASA-N 0 0 378.211 4.355 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@H]3c2cccs2)cc1 ZINC000006679341 211580937 /nfs/dbraw/zinc/58/09/37/211580937.db2.gz HRSVYKNZVOISHP-PXAZEXFGSA-N 0 0 385.514 4.414 40 0 GIABRN O=C(c1ccco1)N(Cc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000005626493 211572527 /nfs/dbraw/zinc/57/25/27/211572527.db2.gz MGSZTRIDMZTQJX-UHFFFAOYSA-N 0 0 393.830 4.012 40 0 GIABRN COc1ccc(-c2csc3nnc(SCC(=O)c4ccccc4)n23)cc1 ZINC000004967206 211559892 /nfs/dbraw/zinc/55/98/92/211559892.db2.gz WWYZJGLJORNMMS-UHFFFAOYSA-N 0 0 381.482 4.441 40 0 GIABRN Cc1cccc(-c2ocnc2C(=O)Nc2ccccc2C(=O)N2CCCC2)c1 ZINC000005001984 211558386 /nfs/dbraw/zinc/55/83/86/211558386.db2.gz PCTARPKMANGJAE-UHFFFAOYSA-N 0 0 375.428 4.138 40 0 GIABRN COCCN(C(=O)c1ccc(C)cc1)c1nc(-c2ccc(OC)cc2)cs1 ZINC000004169359 211535337 /nfs/dbraw/zinc/53/53/37/211535337.db2.gz RVNVDPQYQHMWPS-UHFFFAOYSA-N 0 0 382.485 4.420 40 0 GIABRN O=C(NCc1ccc(F)cc1)[C@H](OC(=O)c1cccs1)c1ccc(F)cc1 ZINC000001381251 211510349 /nfs/dbraw/zinc/51/03/49/211510349.db2.gz RWXJRGUBJHXMHO-GOSISDBHSA-N 0 0 387.407 4.241 40 0 GIABRN CC(=O)Nc1nnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)s1 ZINC000001371491 211506429 /nfs/dbraw/zinc/50/64/29/211506429.db2.gz PTNPQARCYNWKKA-UHFFFAOYSA-N 0 0 396.582 4.083 40 0 GIABRN COc1ccccc1C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000001359179 211506348 /nfs/dbraw/zinc/50/63/48/211506348.db2.gz MTRZFOVOAMGFRL-UHFFFAOYSA-N 0 0 390.483 4.430 40 0 GIABRN Cc1ccc(C(=O)N2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)cc1 ZINC000001337085 211505090 /nfs/dbraw/zinc/50/50/90/211505090.db2.gz HISPPHYQHZWKHI-UHFFFAOYSA-N 0 0 381.476 4.220 40 0 GIABRN Cc1cc2c(C)ccc(C)c2n2c(SCC(=O)N3CCCC[C@H]3C)nnc12 ZINC000000929701 211498759 /nfs/dbraw/zinc/49/87/59/211498759.db2.gz RJICMSGNLLRVHM-MRXNPFEDSA-N 0 0 382.533 4.301 40 0 GIABRN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)OC1CCCCC1 ZINC000000915511 211495408 /nfs/dbraw/zinc/49/54/08/211495408.db2.gz UYUGNBZWVWMPNV-UHFFFAOYSA-N 0 0 398.484 4.006 40 0 GIABRN COc1ccc(OC)c(-c2csc(N(C)C(=O)COc3ccc(C)cc3)n2)c1 ZINC000000880989 211494681 /nfs/dbraw/zinc/49/46/81/211494681.db2.gz YBPSKMLJLBYEIG-UHFFFAOYSA-N 0 0 398.484 4.178 40 0 GIABRN O=C(CSc1nnc(COc2ccccc2)o1)Nc1cccc(Cl)c1 ZINC000000849510 211492463 /nfs/dbraw/zinc/49/24/63/211492463.db2.gz SYNQSHHYUKQAMP-UHFFFAOYSA-N 0 0 375.837 4.033 40 0 GIABRN CC[C@H](C)C(=O)O[C@H]1CCC[C@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 ZINC000136883316 211488118 /nfs/dbraw/zinc/48/81/18/211488118.db2.gz VXDSGTRNDFHIJB-UHVQSNBXSA-N 0 0 392.536 4.029 40 0 biogenic,in-vitro GIABRN COc1ccc(CN(C)C(=O)COc2ccc(Cl)cc2Br)cc1 ZINC000115037399 211470567 /nfs/dbraw/zinc/47/05/67/211470567.db2.gz RFTQOOHAYDNNRH-UHFFFAOYSA-N 0 0 398.684 4.149 40 0 GIABRN CCOc1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000101276322 211396035 /nfs/dbraw/zinc/39/60/35/211396035.db2.gz VUCSVXWBUURLRM-MRXNPFEDSA-N 0 0 379.243 4.136 40 0 GIABRN CCC[C@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2ON1c1ccccc1 ZINC000101056378 211394501 /nfs/dbraw/zinc/39/45/01/211394501.db2.gz CGVSMVAPPLMWHE-FKBYEOEOSA-N 0 0 386.451 4.318 40 0 GIABRN Cc1ccc(-c2cnc(NC(=O)CC[C@H]3C(=O)Nc4ccccc43)n2C)cc1C ZINC000100783471 211392207 /nfs/dbraw/zinc/39/22/07/211392207.db2.gz ODVYEWCMBLCKSK-GOSISDBHSA-N 0 0 388.471 4.159 40 0 GIABRN C[C@H](NC(=O)CC1CCCCC1)c1cc(=O)n2nc(-c3cccs3)cc2[nH]1 ZINC000100730001 211391429 /nfs/dbraw/zinc/39/14/29/211391429.db2.gz NWYZKJNWQGDSJS-ZDUSSCGKSA-N 0 0 384.505 4.311 40 0 GIABRN O=C(NC[C@H]1CC[C@H](c2ncncc2-c2ccncc2)CC1)[C@@H]1CC=CCC1 ZINC000100738797 211390963 /nfs/dbraw/zinc/39/09/63/211390963.db2.gz QTQJGVISNMRANV-YZGWKJHDSA-N 0 0 376.504 4.285 40 0 GIABRN CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCCC2)CC1 ZINC000100750032 211390121 /nfs/dbraw/zinc/39/01/21/211390121.db2.gz DMBRYQRGCICZOI-ZRCGQRJVSA-N 0 0 385.552 4.152 40 0 GIABRN CC(C)C(=O)NC[C@H]1CC[C@H](c2c3cccnc3sc2C(=O)N(C)C)CC1 ZINC000100688342 211389499 /nfs/dbraw/zinc/38/94/99/211389499.db2.gz VCBUGHLMGBBBPL-GASCZTMLSA-N 0 0 387.549 4.044 40 0 GIABRN O=C(Cc1ccccc1)NC[C@H]1CC[C@H](c2nnc(-c3cccs3)o2)CC1 ZINC000100156250 211384478 /nfs/dbraw/zinc/38/44/78/211384478.db2.gz OXODCIXVGUVTPY-CALCHBBNSA-N 0 0 381.501 4.431 40 0 GIABRN Cc1cc(OCC(=O)NCc2nc(-c3ccccc3Cl)no2)ccc1Cl ZINC000096247947 211325552 /nfs/dbraw/zinc/32/55/52/211325552.db2.gz OCFQHEOVAHRDEO-UHFFFAOYSA-N 0 0 392.242 4.047 40 0 GIABRN Cn1cnc2c1cc(C1CCN(C(=O)c3ccccc3)CC1)nc2-c1cccnc1 ZINC000096155588 211314939 /nfs/dbraw/zinc/31/49/39/211314939.db2.gz HCFITAJVXUKVGE-UHFFFAOYSA-N 0 0 397.482 4.050 40 0 GIABRN Fc1cccc(Nc2ccc3c([C@H]4CCCN4Cc4cccnc4)nnn3c2)c1 ZINC000096156584 211313401 /nfs/dbraw/zinc/31/34/01/211313401.db2.gz DAHPFGADMSGSAS-HXUWFJFHSA-N 0 0 388.450 4.344 40 0 GIABRN Cn1c2cc(C(=O)Nc3ccc(F)cc3)n(-c3ncccn3)c2c2ccccc21 ZINC000096062667 211299187 /nfs/dbraw/zinc/29/91/87/211299187.db2.gz ISYLIJUGQCXLKM-UHFFFAOYSA-N 0 0 385.402 4.304 40 0 GIABRN Cc1cccc(NC(=O)c2cc3c(c4ccccc4n3C)n2-c2ncccn2)c1 ZINC000096062666 211298367 /nfs/dbraw/zinc/29/83/67/211298367.db2.gz RAPHESINGYNJJR-UHFFFAOYSA-N 0 0 381.439 4.473 40 0 GIABRN CCCn1cnc(-c2nc(C(=O)NCc3ccc(Cl)cc3)c3ccccn32)c1 ZINC000096037977 211296049 /nfs/dbraw/zinc/29/60/49/211296049.db2.gz NIWKUDRWAXEZBH-UHFFFAOYSA-N 0 0 393.878 4.191 40 0 GIABRN CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)C2CCC2)C1 ZINC000072391257 211110883 /nfs/dbraw/zinc/11/08/83/211110883.db2.gz YKDKTXLRCIIJQT-VWLOTQADSA-N 0 0 390.527 4.051 40 0 GIABRN CCc1cccc2cc([C@@H]3n4c5ccccc5nc4[C@@H]4CCCN3C4)c(=O)[nH]c21 ZINC000072389369 211108226 /nfs/dbraw/zinc/10/82/26/211108226.db2.gz SOQNXZHHPATRIV-OSPHWJPCSA-N 0 0 384.483 4.180 40 0 GIABRN O=C(c1ccsc1)N1CCC[C@@H](c2nnc(-c3nccc4ccccc43)o2)C1 ZINC000072390111 211107012 /nfs/dbraw/zinc/10/70/12/211107012.db2.gz MUPABKILSYEOEO-OAHLLOKOSA-N 0 0 390.468 4.366 40 0 GIABRN O=C(c1cccnc1)N1CCC[C@@H](CCc2ccnc(Nc3ccccn3)c2)C1 ZINC000072378195 211105609 /nfs/dbraw/zinc/10/56/09/211105609.db2.gz FIIJEJWCEZHOEH-IBGZPJMESA-N 0 0 387.487 4.100 40 0 GIABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000072345914 211095716 /nfs/dbraw/zinc/09/57/16/211095716.db2.gz GVOXJLFBBYVHIM-KRWDZBQOSA-N 0 0 392.890 4.399 40 0 GIABRN Cc1cc(C)n(CCC(=O)N2CCCC[C@@H]2c2nc3cc(C)c(C)cc3[nH]2)n1 ZINC000072346804 211095406 /nfs/dbraw/zinc/09/54/06/211095406.db2.gz BYJZNWUFCSKINI-HXUWFJFHSA-N 0 0 379.508 4.137 40 0 GIABRN O=C(Cc1ccccc1)N1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 ZINC000072359444 211100433 /nfs/dbraw/zinc/10/04/33/211100433.db2.gz CDXKIHCHBIPQNX-UHFFFAOYSA-N 0 0 375.447 4.231 40 0 GIABRN O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072358927 211100347 /nfs/dbraw/zinc/10/03/47/211100347.db2.gz KZJLRUQCNHNOIC-GOSISDBHSA-N 0 0 393.437 4.371 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@H](c3cncc(Oc4cccc(C)c4)n3)C2)o1 ZINC000072362709 211100102 /nfs/dbraw/zinc/10/01/02/211100102.db2.gz QMGZYVZLFUKURT-KRWDZBQOSA-N 0 0 392.459 4.202 40 0 GIABRN O=C(c1cnccn1)N1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1 ZINC000072357845 211099660 /nfs/dbraw/zinc/09/96/60/211099660.db2.gz LSNHZIJGFNVHRT-HXUWFJFHSA-N 0 0 378.863 4.093 40 0 GIABRN CC(=O)NCc1cnc([C@@H]2CCCN2Cc2ccccc2)cc1C(F)(F)F ZINC000072355975 211099587 /nfs/dbraw/zinc/09/95/87/211099587.db2.gz GWYNSNJTGRNUNA-IBGZPJMESA-N 0 0 377.410 4.074 40 0 GIABRN O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2)n1 ZINC000072357783 211099317 /nfs/dbraw/zinc/09/93/17/211099317.db2.gz WGOPEVGEYBTJOW-JOCHJYFZSA-N 0 0 396.487 4.337 40 0 GIABRN O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1cccc(Cc2ccccc2)n1 ZINC000072357782 211099208 /nfs/dbraw/zinc/09/92/08/211099208.db2.gz WGOPEVGEYBTJOW-QFIPXVFZSA-N 0 0 396.487 4.337 40 0 GIABRN O=C(Cc1ccccn1)N1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072357939 211099064 /nfs/dbraw/zinc/09/90/64/211099064.db2.gz PNSFJDPSNBHCPY-QFIPXVFZSA-N 0 0 375.447 4.113 40 0 GIABRN Cc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)COc3ccccc3)C2)c1 ZINC000072358664 211098316 /nfs/dbraw/zinc/09/83/16/211098316.db2.gz STDYWJCBZCDOKM-FQEVSTJZSA-N 0 0 387.483 4.237 40 0 GIABRN O=C(Cc1ccccn1)N1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1 ZINC000072357936 211098114 /nfs/dbraw/zinc/09/81/14/211098114.db2.gz FVJFOHNACRCFBG-JOCHJYFZSA-N 0 0 375.447 4.113 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@@H](c3ccc(Nc4cccc(C)n4)cn3)C2)o1 ZINC000072353344 211097722 /nfs/dbraw/zinc/09/77/22/211097722.db2.gz JVKQCGFJTXXUTF-QGZVFWFLSA-N 0 0 391.475 4.153 40 0 GIABRN O=C(c1ccncc1)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072349169 211097766 /nfs/dbraw/zinc/09/77/66/211097766.db2.gz MPSNKIZVZJHLND-IBGZPJMESA-N 0 0 375.447 4.226 40 0 GIABRN O=C(Cc1ccccn1)N1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072349462 211096861 /nfs/dbraw/zinc/09/68/61/211096861.db2.gz GTWJQMJJXQBGDO-QGZVFWFLSA-N 0 0 375.447 4.231 40 0 GIABRN O=C(Cc1ccncc1)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072349446 211096585 /nfs/dbraw/zinc/09/65/85/211096585.db2.gz ZLIVYKZURBTJOH-FQEVSTJZSA-N 0 0 389.474 4.155 40 0 GIABRN O=C(c1cnccn1)N1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072349226 211096726 /nfs/dbraw/zinc/09/67/26/211096726.db2.gz GAUKXOIMPDUKRL-QGZVFWFLSA-N 0 0 392.890 4.136 40 0 GIABRN Cc1nc(C(=O)N2CCC[C@H](c3cccc(Cc4ccccc4F)n3)C2)co1 ZINC000072350459 211096501 /nfs/dbraw/zinc/09/65/01/211096501.db2.gz CGYUFVDLOKMVDN-KRWDZBQOSA-N 0 0 379.435 4.128 40 0 GIABRN Ic1ccc2c(I)cccc2c1 ZINC000071256741 211042595 /nfs/dbraw/zinc/04/25/95/211042595.db2.gz VVNYQGLSJNCRMM-UHFFFAOYSA-N 0 0 379.966 4.049 40 0 GIABRN C[C@H](NC(=O)CSCc1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000069429141 211039287 /nfs/dbraw/zinc/03/92/87/211039287.db2.gz FPHAOKTTXXCMGG-ZDUSSCGKSA-N 0 0 377.893 4.222 40 0 GIABRN O=C(CCc1nc(-c2cccnc2)no1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000068933420 211033136 /nfs/dbraw/zinc/03/31/36/211033136.db2.gz WCWGJCBJNPEGOT-UHFFFAOYSA-N 0 0 396.756 4.375 40 0 GIABRN CC(C)(C)OC(=O)NC1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000067801038 211020585 /nfs/dbraw/zinc/02/05/85/211020585.db2.gz HJSATEFDDNYLES-UHFFFAOYSA-N 0 0 376.394 4.334 40 0 GIABRN FC(F)(F)c1cccc(NC(=S)NCc2nc(-c3cccs3)no2)c1 ZINC000065705174 210998171 /nfs/dbraw/zinc/99/81/71/210998171.db2.gz ZMOHYEAUXPXMFE-UHFFFAOYSA-N 0 0 384.408 4.304 40 0 GIABRN COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000057566016 210902142 /nfs/dbraw/zinc/90/21/42/210902142.db2.gz BBHIGYLSTFGWPD-UHFFFAOYSA-N 0 0 384.819 4.124 40 0 GIABRN COc1cc(OC)cc(OCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)c1 ZINC000044885001 210815549 /nfs/dbraw/zinc/81/55/49/210815549.db2.gz UYNDXMQODLHGPB-XMMPIXPASA-N 0 0 391.467 4.297 40 0 GIABRN CCCCCn1ccc2c(nnc3c(-c4ccc(Cl)cc4)c(C)nn32)c1=O ZINC000040395961 210786575 /nfs/dbraw/zinc/78/65/75/210786575.db2.gz RMXWAQVZYCQISP-UHFFFAOYSA-N 0 0 381.867 4.258 40 0 GIABRN Fc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c4ccccc34)n2)c1 ZINC000072322083 210746306 /nfs/dbraw/zinc/74/63/06/210746306.db2.gz RNNIFAJREYMBPM-NRFANRHFSA-N 0 0 376.435 4.271 40 0 biogenic,in-vitro GIABRN Cc1ccc(NC(=O)C[C@H](c2cccs2)N2Cc3ccccc3C2=O)nc1 ZINC000032933576 210605778 /nfs/dbraw/zinc/60/57/78/210605778.db2.gz VKZUAHUELPDIPW-QGZVFWFLSA-N 0 0 377.469 4.177 40 0 GIABRN Cc1ccc(C2=NN(C(=O)c3cccc(Cl)c3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000032101090 210572172 /nfs/dbraw/zinc/57/21/72/210572172.db2.gz XZRNGRCOOOWCIE-QGZVFWFLSA-N 0 0 382.769 4.150 40 0 GIABRN Cc1nccn1-c1ccccc1CNC(=O)[C@H](C)Oc1ccccc1C(C)C ZINC000030855449 210559759 /nfs/dbraw/zinc/55/97/59/210559759.db2.gz HCMDTWTUHMCOMT-KRWDZBQOSA-N 0 0 377.488 4.388 40 0 GIABRN Cn1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(=O)c2ccccc21 ZINC000022234174 210407266 /nfs/dbraw/zinc/40/72/66/210407266.db2.gz DNKHOJZOQAFHBY-UHFFFAOYSA-N 0 0 384.435 4.370 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1NC(=O)c1ccccc1 ZINC000408551848 533073351 /nfs/dbraw/zinc/07/33/51/533073351.db2.gz MXGOTRHSMSQYNC-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)COc1ccccc1F ZINC000020611176 210352831 /nfs/dbraw/zinc/35/28/31/210352831.db2.gz LQZPOKNJRQTKGB-UHFFFAOYSA-N 0 0 394.381 4.025 40 0 GIABRN Cc1nnc2sc(-c3cccc(NC(=O)c4ccc(C)c(Cl)c4)c3)nn12 ZINC000020609578 210352688 /nfs/dbraw/zinc/35/26/88/210352688.db2.gz WNONMMWDZZHZPU-UHFFFAOYSA-N 0 0 383.864 4.375 40 0 GIABRN CCc1nnc2sc(-c3ccc(NC(=O)c4ccc(C)c(C)c4)cc3)nn12 ZINC000020609713 210352329 /nfs/dbraw/zinc/35/23/29/210352329.db2.gz VFCWVKRLKDNZDY-UHFFFAOYSA-N 0 0 377.473 4.284 40 0 GIABRN O=C(Nc1ccc(-c2nn3cnnc3s2)cc1)c1cccc(Cl)c1Cl ZINC000020609753 210351782 /nfs/dbraw/zinc/35/17/82/210351782.db2.gz DNCQUYGEPIUUMC-UHFFFAOYSA-N 0 0 390.255 4.412 40 0 GIABRN COc1ccc([C@@H]2CC(=O)c3cn4nc(SCCC(C)C)nc4nc3C2)cc1 ZINC000020671673 210355361 /nfs/dbraw/zinc/35/53/61/210355361.db2.gz PWOJYEZNEHSPNZ-HNNXBMFYSA-N 0 0 396.516 4.184 40 0 GIABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000020491955 210342171 /nfs/dbraw/zinc/34/21/71/210342171.db2.gz CPOMLFWXMOIQPH-QGZVFWFLSA-N 0 0 377.868 4.173 40 0 GIABRN CC(C)C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccccc1 ZINC000020482053 210340516 /nfs/dbraw/zinc/34/05/16/210340516.db2.gz CXFUNOPRXRSFDQ-SFHVURJKSA-N 0 0 394.924 4.229 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)c(Cl)c1Cl ZINC000020484995 210340218 /nfs/dbraw/zinc/34/02/18/210340218.db2.gz SPSKDZURXWDJLJ-ZDUSSCGKSA-N 0 0 386.300 4.358 40 0 GIABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccccc1-n1ccnc1 ZINC000020483013 210339831 /nfs/dbraw/zinc/33/98/31/210339831.db2.gz RWPLZOSSAXABPK-QFIPXVFZSA-N 0 0 385.467 4.499 40 0 GIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000020484088 210339675 /nfs/dbraw/zinc/33/96/75/210339675.db2.gz AIQLKDREGHDYMP-LJQANCHMSA-N 0 0 384.476 4.020 40 0 GIABRN COc1cc(OC)cc(OCC(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1 ZINC000020460899 210338072 /nfs/dbraw/zinc/33/80/72/210338072.db2.gz SDWPJVLPXLZURN-DEOSSOPVSA-N 0 0 391.467 4.297 40 0 GIABRN Cc1nccn1-c1ccc(CNC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000020456036 210337896 /nfs/dbraw/zinc/33/78/96/210337896.db2.gz RDNQZUZBMDSCMI-UHFFFAOYSA-N 0 0 390.270 4.183 40 0 GIABRN Cc1nc(SCc2ccc(NC(=O)c3cccc(OC(C)C)c3)cc2)n[nH]1 ZINC000020293650 210326008 /nfs/dbraw/zinc/32/60/08/210326008.db2.gz PPBHKCOOJQUEAE-UHFFFAOYSA-N 0 0 382.489 4.445 40 0 GIABRN CC(=O)Nc1sc2c(c1[C@H](c1ccc(C)cc1)N1CCOCC1)CCCC2 ZINC000020192236 210321839 /nfs/dbraw/zinc/32/18/39/210321839.db2.gz LICYVNWQJOWLSH-NRFANRHFSA-N 0 0 384.545 4.315 40 0 GIABRN CC(C)CCC(=O)NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 ZINC000020151357 210320046 /nfs/dbraw/zinc/32/00/46/210320046.db2.gz SOARYGZFEIRUMM-UHFFFAOYSA-N 0 0 380.897 4.342 40 0 GIABRN COc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1-c1ccc(CO)o1 ZINC000020144091 210319908 /nfs/dbraw/zinc/31/99/08/210319908.db2.gz UFDPVULUORGCED-UHFFFAOYSA-N 0 0 381.428 4.082 40 0 GIABRN Cc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1 ZINC000020151578 210319479 /nfs/dbraw/zinc/31/94/79/210319479.db2.gz YFOJERMOFHDXND-UHFFFAOYSA-N 0 0 380.469 4.183 40 0 GIABRN CC[C@@H](NC(=O)COc1ccc(Br)c(C)c1)c1ccc(OC)cc1 ZINC000020111675 210317508 /nfs/dbraw/zinc/31/75/08/210317508.db2.gz KYLLYWFPCYMJHF-GOSISDBHSA-N 0 0 392.293 4.412 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC(C)C)cc2Cl)cc1 ZINC000020106736 210316032 /nfs/dbraw/zinc/31/60/32/210316032.db2.gz SSMMOUSUHXCKGP-UHFFFAOYSA-N 0 0 394.924 4.225 40 0 GIABRN CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccc(F)cc2)cc1OCC ZINC000020048865 210314941 /nfs/dbraw/zinc/31/49/41/210314941.db2.gz UCRQYBDNQQYDHD-SFHVURJKSA-N 0 0 375.440 4.097 40 0 GIABRN Cc1cc(O[C@@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)cc(C)c1Cl ZINC000020050257 210314891 /nfs/dbraw/zinc/31/48/91/210314891.db2.gz XRJRERRBKUVOIE-INIZCTEOSA-N 0 0 383.879 4.226 40 0 GIABRN CC[C@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccc(OC)cc1 ZINC000020049072 210314908 /nfs/dbraw/zinc/31/49/08/210314908.db2.gz UUCFZTDNQVXURV-KRWDZBQOSA-N 0 0 398.322 4.028 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N3CCCCC3)c2)cc1 ZINC000020042417 210313212 /nfs/dbraw/zinc/31/32/12/210313212.db2.gz APRTUPSJKFROMO-UHFFFAOYSA-N 0 0 392.908 4.075 40 0 GIABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000019932118 210308737 /nfs/dbraw/zinc/30/87/37/210308737.db2.gz SVLGIEFJBJTBAZ-QHCPKHFHSA-N 0 0 388.511 4.342 40 0 GIABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000019934399 210308794 /nfs/dbraw/zinc/30/87/94/210308794.db2.gz OIOUIQHJYAJSCV-QFIPXVFZSA-N 0 0 394.515 4.335 40 0 GIABRN O=C(C1CCCC1)N1CCC([C@H]2CCCCN(CCc3ccccc3)C2=O)CC1 ZINC000019744890 210291747 /nfs/dbraw/zinc/29/17/47/210291747.db2.gz DJUDCSMSDDWMSI-HSZRJFAPSA-N 0 0 396.575 4.287 40 0 GIABRN CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3nc(C)cc3N)cc2)cc1 ZINC000019717866 210288729 /nfs/dbraw/zinc/28/87/29/210288729.db2.gz MYBFSIAEFFADCG-NRFANRHFSA-N 0 0 390.487 4.139 40 0 GIABRN COc1cccc(-c2cc(C(=O)Nc3cccc(Cn4ccnc4C)c3)on2)c1 ZINC000019718579 210288453 /nfs/dbraw/zinc/28/84/53/210288453.db2.gz OTNBDRACIJFCHQ-UHFFFAOYSA-N 0 0 388.427 4.156 40 0 GIABRN COc1ccc2c(c1)c(C[C@H](C)NC(=O)Cc1cccc3cccnc31)cn2C ZINC000019716231 210287703 /nfs/dbraw/zinc/28/77/03/210287703.db2.gz KTHJYGRYNKIVQB-INIZCTEOSA-N 0 0 387.483 4.025 40 0 GIABRN CC(C)(C)c1csc(CCNC(=O)Cc2csc(-c3ccccc3)n2)n1 ZINC000019715076 210287051 /nfs/dbraw/zinc/28/70/51/210287051.db2.gz PJHXFIKZJPAYHI-UHFFFAOYSA-N 0 0 385.558 4.466 40 0 GIABRN CC(C)CC(=O)N1CCC(Cc2ccccc2-c2cccc(F)c2)(C(N)=O)CC1 ZINC000019700089 210282652 /nfs/dbraw/zinc/28/26/52/210282652.db2.gz SJUVRUIFSIDBCU-UHFFFAOYSA-N 0 0 396.506 4.175 40 0 GIABRN COc1ccc(Cc2cc(C)nc(C3CCN(Cc4ncc[nH]4)CC3)c2)cc1 ZINC000019691887 210281544 /nfs/dbraw/zinc/28/15/44/210281544.db2.gz XUIVBLRHSQPHJW-UHFFFAOYSA-N 0 0 376.504 4.092 40 0 GIABRN Cc1c(C(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)cccc1N1CCOCC1 ZINC000019664161 210279631 /nfs/dbraw/zinc/27/96/31/210279631.db2.gz DEQWCCZJEXWUSE-UHFFFAOYSA-N 0 0 392.503 4.258 40 0 GIABRN COc1ccc2[nH]c(C(=O)N3CCC(Oc4cccc(C)c4)CC3)c(C)c2c1 ZINC000019665738 210278827 /nfs/dbraw/zinc/27/88/27/210278827.db2.gz XMEXPXIEYLRSFF-UHFFFAOYSA-N 0 0 378.472 4.477 40 0 GIABRN CCOc1ccccc1-c1ccccc1NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000019659746 210276888 /nfs/dbraw/zinc/27/68/88/210276888.db2.gz JEKGCOPNOLCHCR-INIZCTEOSA-N 0 0 380.488 4.338 40 0 GIABRN COc1ccc2cnc([C@@H]3CCCN(C(=O)c4cc(C(C)C)n[nH]4)C3)cc2c1C ZINC000019582649 210271059 /nfs/dbraw/zinc/27/10/59/210271059.db2.gz XOBKGTOESBWCCG-QGZVFWFLSA-N 0 0 392.503 4.418 40 0 GIABRN COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc(F)cc1F ZINC000019570957 210268358 /nfs/dbraw/zinc/26/83/58/210268358.db2.gz WVERWSPNZNKNNK-IBGZPJMESA-N 0 0 397.425 4.026 40 0 GIABRN CC[C@H](C)[C@H](C(=O)Nc1ccc(Cl)cc1C)N1C(=O)c2ccccc2C1=O ZINC000004341321 220708485 /nfs/dbraw/zinc/70/84/85/220708485.db2.gz DMEKVEVGSCDASQ-KPZWWZAWSA-N 0 0 384.863 4.298 40 0 GIABRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(C)=O ZINC000408628921 533195171 /nfs/dbraw/zinc/19/51/71/533195171.db2.gz YDYRBZOUCWVHGR-UHFFFAOYSA-N 0 0 383.473 4.460 40 0 GIABRN CCSc1nc2n(n1)[C@H](c1ccccc1)CC(c1ccc(OC)c(OC)c1)=N2 ZINC000010156723 221098122 /nfs/dbraw/zinc/09/81/22/221098122.db2.gz LOXIAZDNPUEPJS-KRWDZBQOSA-N 0 0 394.500 4.463 40 0 GIABRN O=C(c1csc2c1CCCC2)N1CCC(n2c(=O)oc3ccccc32)CC1 ZINC000012184611 221163822 /nfs/dbraw/zinc/16/38/22/221163822.db2.gz CURVRPSSARBJCH-UHFFFAOYSA-N 0 0 382.485 4.012 40 0 GIABRN COc1cccc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)c1OC ZINC000408803190 533387857 /nfs/dbraw/zinc/38/78/57/533387857.db2.gz MGBOWQVJCBPNOH-UHFFFAOYSA-N 0 0 389.884 4.429 40 0 GIABRN COc1cccc(N2CCN(C(=S)Nc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000017080819 533579194 /nfs/dbraw/zinc/57/91/94/533579194.db2.gz VYCXAUOSOSKWEY-UHFFFAOYSA-N 0 0 395.450 4.233 40 0 GIABRN COc1cccc(OC)c1C(=O)NCCSCc1c(F)cccc1Cl ZINC000408563114 533621994 /nfs/dbraw/zinc/62/19/94/533621994.db2.gz IRAQDEUZFWBVTD-UHFFFAOYSA-N 0 0 383.872 4.160 40 0 GIABRN Cc1ccc(N2CCCc3sc(C(=O)Nc4cccc(C)c4C)nc32)nn1 ZINC000096037467 136183329 /nfs/dbraw/zinc/18/33/29/136183329.db2.gz MUFDHDRRALOJGR-UHFFFAOYSA-N 0 0 379.489 4.195 40 0 GIABRN Cc1ccc(CN2C(=O)COc3cc(NC(=O)c4ccc(C)cc4)ccc32)cc1 ZINC000005000951 136194327 /nfs/dbraw/zinc/19/43/27/136194327.db2.gz SAAZMOYZFBGORL-UHFFFAOYSA-N 0 0 386.451 4.481 40 0 GIABRN CCCC(=O)N1c2ccccc2[C@H](N(c2ccccc2)S(C)(=O)=O)C[C@@H]1C ZINC000010153298 136197273 /nfs/dbraw/zinc/19/72/73/136197273.db2.gz MMUMPUHFERDLDN-OXJNMPFZSA-N 0 0 386.517 4.119 40 0 GIABRN CC(C)c1ccc2[nH]c(=O)c(CNc3ccc(N4CCC(O)CC4)cc3)cc2c1 ZINC000013563031 136201267 /nfs/dbraw/zinc/20/12/67/136201267.db2.gz HDBCREODYKOGJM-UHFFFAOYSA-N 0 0 391.515 4.225 40 0 GIABRN Cc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1N1CCCCS1(=O)=O ZINC000222566475 136204850 /nfs/dbraw/zinc/20/48/50/136204850.db2.gz WZEVBMGJHGOFPR-UHFFFAOYSA-N 0 0 392.908 4.139 40 0 GIABRN CCc1ccc(O[C@H](CC)C(=O)NCCCN2CCCc3ccccc32)cc1 ZINC000222903529 136205172 /nfs/dbraw/zinc/20/51/72/136205172.db2.gz GOIXWVTZCNPUDN-HSZRJFAPSA-N 0 0 380.532 4.366 40 0 GIABRN C[C@@H]1C[C@H](C)CN(c2ccc(NC(=S)NCCCc3ccccc3)cn2)C1 ZINC000223963663 136206125 /nfs/dbraw/zinc/20/61/25/136206125.db2.gz FNQHMPUUVNSJGV-HDICACEKSA-N 0 0 382.577 4.483 40 0 GIABRN C[C@H]1CCCN(c2ccc(NC(=S)NCCCc3ccc(F)cc3)cn2)C1 ZINC000223968799 136206148 /nfs/dbraw/zinc/20/61/48/136206148.db2.gz MVJJTRYXRLFFFC-INIZCTEOSA-N 0 0 386.540 4.376 40 0 GIABRN COc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1Cl ZINC000224555611 136207119 /nfs/dbraw/zinc/20/71/19/136207119.db2.gz SAGVGCQMXAJDSR-UHFFFAOYSA-N 0 0 379.287 4.273 40 0 GIABRN Cc1ccc(C)c(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000008499417 533680773 /nfs/dbraw/zinc/68/07/73/533680773.db2.gz FGKDNPWRJILRKY-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN CCCOc1cc(S(=O)(=O)N2CCCC[C@@H]2CC)ccc1Br ZINC000041096762 221938198 /nfs/dbraw/zinc/93/81/98/221938198.db2.gz XXGFPVSFAARRCV-ZDUSSCGKSA-N 0 0 390.343 4.191 40 0 GIABRN COC(=O)c1cc(NC(=O)c2cccc3c(Cl)cccc23)cc(C(=O)OC)c1 ZINC000408623999 533887190 /nfs/dbraw/zinc/88/71/90/533887190.db2.gz WGIHWWJWDWIEIR-UHFFFAOYSA-N 0 0 397.814 4.319 40 0 GIABRN COC(=O)c1ccc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)cc1 ZINC000408809831 533958235 /nfs/dbraw/zinc/95/82/35/533958235.db2.gz RXSLXUSTFBUIMR-UHFFFAOYSA-N 0 0 387.868 4.198 40 0 GIABRN COc1ccccc1C(=O)NC(=S)Nc1ccc(Br)cc1Cl ZINC000408628596 533967585 /nfs/dbraw/zinc/96/75/85/533967585.db2.gz VFCLICLZLUZWPU-UHFFFAOYSA-N 0 0 399.697 4.238 40 0 GIABRN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2CC(C)C)cc1 ZINC000409097177 534089179 /nfs/dbraw/zinc/08/91/79/534089179.db2.gz LPHCXMXGBOPPJF-UHFFFAOYSA-N 0 0 396.516 4.341 40 0 GIABRN COc1ccccc1NC(=O)CSc1nnc(COc2c(C)cccc2C)o1 ZINC000409156528 534173670 /nfs/dbraw/zinc/17/36/70/534173670.db2.gz ODDMBZXEKAWQDZ-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN COc1ccc(OC)c(/C=C2/SC(=O)N(CNc3cccc(C)c3)C2=O)c1 ZINC000059377854 534223387 /nfs/dbraw/zinc/22/33/87/534223387.db2.gz VAYUZWJOGGVBNY-WOJGMQOQSA-N 0 0 384.457 4.118 40 0 GIABRN Cc1ccc(-c2nnc(CN(C)C(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)o2)cc1 ZINC000408714349 534222342 /nfs/dbraw/zinc/22/23/42/534222342.db2.gz OWAZFISYIPBHQL-OAHLLOKOSA-N 0 0 399.878 4.433 40 0 GIABRN Ic1ccc(CSc2ncn(-c3ccccc3)n2)cc1 ZINC000409202713 534540712 /nfs/dbraw/zinc/54/07/12/534540712.db2.gz UFYBVPXIMLKMBB-UHFFFAOYSA-N 0 0 393.253 4.164 40 0 GIABRN Cc1cccc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)c2)c1C ZINC000408666905 534745720 /nfs/dbraw/zinc/74/57/20/534745720.db2.gz AFTSZSZKAYBZAM-NYSBEXSLSA-N 0 0 388.467 4.257 40 0 GIABRN O=C1S/C(=C\c2coc3ccccc3c2=O)C(=O)N1Cc1ccc(F)cc1 ZINC000106688642 534824359 /nfs/dbraw/zinc/82/43/59/534824359.db2.gz KBPSMMRJNKQDAY-MFOYZWKCSA-N 0 0 381.384 4.169 40 0 GIABRN CC(C)(C)SCCNC(=O)CSCc1cccc(Br)c1 ZINC000408926026 526604428 /nfs/dbraw/zinc/60/44/28/526604428.db2.gz MYDVYLQEHQTKDZ-UHFFFAOYSA-N 0 0 376.385 4.330 40 0 GIABRN CC(C)(C)C(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000408627093 527580720 /nfs/dbraw/zinc/58/07/20/527580720.db2.gz JYWVKWODIUZCJE-UHFFFAOYSA-N 0 0 379.869 4.044 40 0 GIABRN CC1(C)OC(=O)C([C@H](c2c[nH]c3ccccc32)c2ccc(Cl)cc2)C(=O)O1 ZINC000409121811 527795901 /nfs/dbraw/zinc/79/59/01/527795901.db2.gz YBDJRGSKYOTUOA-KRWDZBQOSA-N 0 0 383.831 4.406 40 0 GIABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000408562667 528047502 /nfs/dbraw/zinc/04/75/02/528047502.db2.gz RHDKNZHFAYKFJW-UHFFFAOYSA-N 0 0 381.885 4.015 40 0 GIABRN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)NC(=S)N1 ZINC000408607493 528083574 /nfs/dbraw/zinc/08/35/74/528083574.db2.gz SPOGHTBJIJCUKA-KRWDZBQOSA-N 0 0 390.892 4.344 40 0 GIABRN CCCCC(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 ZINC000408628495 528088954 /nfs/dbraw/zinc/08/89/54/528088954.db2.gz UGCVFCOWSLSOFK-LLVKDONJSA-N 0 0 395.594 4.001 40 0 GIABRN CC(C)c1ccc(NC(=O)[C@@H]2CSCN2C(=O)OCc2ccccc2)cc1 ZINC000408738665 528115549 /nfs/dbraw/zinc/11/55/49/528115549.db2.gz UKMMFYJNVIWODC-IBGZPJMESA-N 0 0 384.501 4.460 40 0 GIABRN CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(Cl)c4)c3)C(=O)[C@H]2C1 ZINC000408681412 528123063 /nfs/dbraw/zinc/12/30/63/528123063.db2.gz JHEPQGUJVHIYEF-OALUTQOASA-N 0 0 394.858 4.438 40 0 GIABRN CCCN1C(=O)C(=Cc2ccccc2OCc2ccccc2Cl)NC1=S ZINC000409077721 528163955 /nfs/dbraw/zinc/16/39/55/528163955.db2.gz GOCRYJDNIGBIRX-ATVHPVEESA-N 0 0 386.904 4.387 40 0 GIABRN CCCCCNC(=O)C(=O)c1c(-c2ccc(OCC)cc2)cc2ccccn21 ZINC000408680435 528189299 /nfs/dbraw/zinc/18/92/99/528189299.db2.gz YXTMFWGMWCXGRY-UHFFFAOYSA-N 0 0 378.472 4.494 40 0 GIABRN CCOC(=O)c1cc(OC(=O)c2cccc3ccccc32)n(-c2ccccc2)n1 ZINC000408529538 528191615 /nfs/dbraw/zinc/19/16/15/528191615.db2.gz MFLAYSROQHDDPE-UHFFFAOYSA-N 0 0 386.407 4.421 40 0 GIABRN CCOc1cc(/C=C\[N+](=O)[O-])ccc1OC(=O)c1ccc(Br)cc1 ZINC000408528571 528199866 /nfs/dbraw/zinc/19/98/66/528199866.db2.gz BNSPQXPFTGMKIG-KTKRTIGZSA-N 0 0 392.205 4.314 40 0 GIABRN CCOc1cc(CNc2cccc(C)c2)cc(I)c1O ZINC000409114703 528287293 /nfs/dbraw/zinc/28/72/93/528287293.db2.gz IEELRUJJVMFUOE-UHFFFAOYSA-N 0 0 383.229 4.316 40 0 GIABRN CCOc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc12 ZINC000409105697 528367898 /nfs/dbraw/zinc/36/78/98/528367898.db2.gz LQQZBBMPBLNZBR-DEDYPNTBSA-N 0 0 390.414 4.471 40 0 GIABRN CCOc1ccc(/C=C2\SC(Nc3ccccc3F)NC2=O)cc1OCC ZINC000408802562 528370860 /nfs/dbraw/zinc/37/08/60/528370860.db2.gz YUDKATAPUPRNJR-UHFFFAOYSA-N 0 0 387.456 4.386 40 0 GIABRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1NC(=O)CC ZINC000408697494 528587581 /nfs/dbraw/zinc/58/75/81/528587581.db2.gz JVPFYCMTUOALJL-UHFFFAOYSA-N 0 0 390.505 4.358 40 0 GIABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc(OC)c(OC)cc1Cl ZINC000409378394 528617470 /nfs/dbraw/zinc/61/74/70/528617470.db2.gz OTHAZJCVKIBKOX-INIZCTEOSA-N 0 0 394.880 4.125 40 0 GIABRN CCOc1cccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c1O ZINC000409123432 528627970 /nfs/dbraw/zinc/62/79/70/528627970.db2.gz BTNYVWBOKAOSDX-NBVRZTHBSA-N 0 0 383.469 4.460 40 0 GIABRN CCCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 ZINC000408628821 528668824 /nfs/dbraw/zinc/66/88/24/528668824.db2.gz BQRCUWJPFLECIC-ZDUSSCGKSA-N 0 0 386.517 4.403 40 0 GIABRN CC(C)Cn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nnc1-c1ccccc1 ZINC000409118300 528695385 /nfs/dbraw/zinc/69/53/85/528695385.db2.gz PPRPOPUWNRHTHX-IRXDYDNUSA-N 0 0 386.565 4.483 40 0 GIABRN CCCC[C@H](CC)CNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000408706881 528908608 /nfs/dbraw/zinc/90/86/08/528908608.db2.gz GVVIRXPSYZUYDW-IBGZPJMESA-N 0 0 380.532 4.267 40 0 GIABRN CCOC(=O)N[C@H](CC(=O)Nc1cc2c(cc1OC)CCCC2)c1ccccc1 ZINC000408981644 529100671 /nfs/dbraw/zinc/10/06/71/529100671.db2.gz WAYGGHSKKBINAE-LJQANCHMSA-N 0 0 396.487 4.390 40 0 GIABRN CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000408556733 529112907 /nfs/dbraw/zinc/11/29/07/529112907.db2.gz JJZWTGMLRDEGTL-UHFFFAOYSA-N 0 0 388.367 4.075 40 0 GIABRN CC(C)Nc1nc(-c2ccccc2)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1 ZINC000329062836 529114934 /nfs/dbraw/zinc/11/49/34/529114934.db2.gz WZNPJVUVLCADNO-UHFFFAOYSA-N 0 0 391.372 4.381 40 0 GIABRN CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000014024295 529161989 /nfs/dbraw/zinc/16/19/89/529161989.db2.gz ZIPNQYIKZLTHAH-FQEVSTJZSA-N 0 0 378.428 4.006 40 0 GIABRN CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1Cl ZINC000409074472 529191897 /nfs/dbraw/zinc/19/18/97/529191897.db2.gz LXYSPWCRTGZJFX-BVLLQVSASA-N 0 0 397.880 4.115 40 0 GIABRN CC[C@H](C)n1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)c2ccccc21 ZINC000409104257 529285026 /nfs/dbraw/zinc/28/50/26/529285026.db2.gz GXUNLNPUWHRMRM-AHTQIVJMSA-N 0 0 386.473 4.210 40 0 GIABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000222910472 535817701 /nfs/dbraw/zinc/81/77/01/535817701.db2.gz HMUAKNQUZQCXRA-JOCHJYFZSA-N 0 0 380.532 4.490 40 0 GIABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCN1CCCc2ccccc21 ZINC000219335887 535817742 /nfs/dbraw/zinc/81/77/42/535817742.db2.gz OLIAVUDIRRWJKB-HSZRJFAPSA-N 0 0 380.532 4.420 40 0 GIABRN CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000044949379 536048189 /nfs/dbraw/zinc/04/81/89/536048189.db2.gz QCPIXFCSFJJCDI-QFIPXVFZSA-N 0 0 380.532 4.426 40 0 GIABRN Cc1ccc2[nH]c(CO[C@H]3CN(Cc4cn(C)c5ccccc45)C[C@H]3F)nc2c1 ZINC000096112319 560060824 /nfs/dbraw/zinc/06/08/24/560060824.db2.gz IDCNSLDDQZDXCO-GCJKJVERSA-N 0 0 392.478 4.102 40 0 biogenic,in-vitro GIABRN C/C=C(\C)C(=O)OC/C(=C/C)C(=O)O[C@H](CC)c1ccc(OC)c(OC)c1 ZINC000031162832 560090307 /nfs/dbraw/zinc/09/03/07/560090307.db2.gz LKOARHYUMOKAPJ-XHHUOJLJSA-N 0 0 376.449 4.154 40 0 biogenic,in-vitro GIABRN O=C(NC1CCCCC1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(C3CCCCC3)ccc12 ZINC000008297945 560208270 /nfs/dbraw/zinc/20/82/70/560208270.db2.gz XRUVMGQTNVLFKU-PKOBYXMFSA-N 0 0 397.563 4.357 40 0 biogenic,in-vitro GIABRN COc1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)cc1F ZINC000329000701 570211474 /nfs/dbraw/zinc/21/14/74/570211474.db2.gz KBYGLILCYRFICT-UHFFFAOYSA-N 0 0 393.466 4.018 40 0 GIABRN FC(F)(F)c1ccc(Nc2cc(C(F)(F)F)nc(NC3CC3)n2)c(Cl)c1 ZINC000329022119 570213438 /nfs/dbraw/zinc/21/34/38/570213438.db2.gz OKRRVTXFIWEZGG-UHFFFAOYSA-N 0 0 396.722 4.329 40 0 GIABRN Cn1cc(-c2cnc(-c3cccc(F)c3)nc2)cc1C(=O)NC1CCCCC1 ZINC000096147668 570214175 /nfs/dbraw/zinc/21/41/75/570214175.db2.gz ZIOPHTFTBJQKEZ-UHFFFAOYSA-N 0 0 378.451 4.351 40 0 GIABRN O=C(C1CC1)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn43)n2)C1 ZINC000585263041 570230795 /nfs/dbraw/zinc/23/07/95/570230795.db2.gz WXAKCDGUGRVGIW-HNNXBMFYSA-N 0 0 380.879 4.166 40 0 GIABRN Cc1cnc(Nc2cc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)ncn2)s1 ZINC000585262623 570231012 /nfs/dbraw/zinc/23/10/12/570231012.db2.gz JUUIBBMQDKYHTL-MRXNPFEDSA-N 0 0 385.537 4.271 40 0 GIABRN COc1ccccc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000005187183 570250380 /nfs/dbraw/zinc/25/03/80/570250380.db2.gz FCVJRMAZHSGPJA-NWSQWKLXSA-N 0 0 383.463 4.343 40 0 GIABRN Cc1cccnc1Nc1cc([C@@H]2CCCN(C(=O)/C=C/c3cccnc3)C2)ccn1 ZINC000585291791 570260416 /nfs/dbraw/zinc/26/04/16/570260416.db2.gz CWDKCIZBWNQPBT-MHNQQFQPSA-N 0 0 399.498 4.343 40 0 GIABRN O=C(/C=C/c1ccco1)N1CCC[C@H](Cc2ccnc(Nc3ccccn3)c2)C1 ZINC000585291976 570261233 /nfs/dbraw/zinc/26/12/33/570261233.db2.gz HRUHXVULYXCTBP-CSHXORCISA-N 0 0 388.471 4.308 40 0 GIABRN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1ccco1)Cc1cccnc1 ZINC000055142681 570278936 /nfs/dbraw/zinc/27/89/36/570278936.db2.gz AQSMOLBRFVIEJO-LJQANCHMSA-N 0 0 382.512 4.206 40 0 GIABRN O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000020612059 570280840 /nfs/dbraw/zinc/28/08/40/570280840.db2.gz XMJWBFSKEILUNB-UHFFFAOYSA-N 0 0 377.271 4.484 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc(OC)c2)cc1 ZINC000216304153 570298611 /nfs/dbraw/zinc/29/86/11/570298611.db2.gz UTHCUEPWXJIITI-HXUWFJFHSA-N 0 0 385.460 4.448 40 0 GIABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000216386762 570300433 /nfs/dbraw/zinc/30/04/33/570300433.db2.gz LOTJYGGRCSIKEF-KRWDZBQOSA-N 0 0 380.488 4.281 40 0 GIABRN COc1ccc(S[C@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000216416771 570300946 /nfs/dbraw/zinc/30/09/46/570300946.db2.gz IKHVRDOWXKWNJX-MBNRZODZSA-N 0 0 396.556 4.033 40 0 GIABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000216426836 570301436 /nfs/dbraw/zinc/30/14/36/570301436.db2.gz PFNNZAAZFJSMHR-GOSISDBHSA-N 0 0 387.476 4.238 40 0 GIABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000216470142 570302026 /nfs/dbraw/zinc/30/20/26/570302026.db2.gz HSOUZZOZTFAFJX-HNNXBMFYSA-N 0 0 391.464 4.349 40 0 GIABRN CCCOc1cccc(C(=O)NC(=S)Nc2cccc3ccc(C)nc32)c1 ZINC000021595776 570307041 /nfs/dbraw/zinc/30/70/41/570307041.db2.gz TXSVKCAXLYPOSD-UHFFFAOYSA-N 0 0 379.485 4.459 40 0 GIABRN CCc1cccc(C)c1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000022391408 570316000 /nfs/dbraw/zinc/31/60/00/570316000.db2.gz LIWWJHQFRRAHCV-UHFFFAOYSA-N 0 0 388.533 4.086 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cnc(N3CCCC3)cc2C)cc1 ZINC000072218898 570318238 /nfs/dbraw/zinc/31/82/38/570318238.db2.gz XIWCRGNPYVODRT-OAQYLSRUSA-N 0 0 399.560 4.215 40 0 GIABRN COc1ccc([C@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1OC ZINC000022523548 570320079 /nfs/dbraw/zinc/32/00/79/570320079.db2.gz SMOFKCUYIBUIAT-ZDUSSCGKSA-N 0 0 379.909 4.468 40 0 GIABRN COc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1 ZINC000022527318 570320419 /nfs/dbraw/zinc/32/04/19/570320419.db2.gz UJJUKVYJICDEPS-KGLIPLIRSA-N 0 0 375.490 4.070 40 0 GIABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000022527213 570320456 /nfs/dbraw/zinc/32/04/56/570320456.db2.gz DEKGITNGVNRVBV-UHFFFAOYSA-N 0 0 393.679 4.271 40 0 GIABRN Cn1nnnc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000022112185 570325910 /nfs/dbraw/zinc/32/59/10/570325910.db2.gz BVNNPTXNVPQYGX-UHFFFAOYSA-N 0 0 398.681 4.361 40 0 GIABRN COc1ccc(CCCNC(=O)COc2ccc(Cl)cc2Cl)cc1OC ZINC000003200115 570332530 /nfs/dbraw/zinc/33/25/30/570332530.db2.gz HQOIDMRRILYCDD-UHFFFAOYSA-N 0 0 398.286 4.138 40 0 GIABRN CCc1ccc(N(CCCC(=O)Nc2ccc(C)cc2C)S(C)(=O)=O)cc1 ZINC000113961678 570336769 /nfs/dbraw/zinc/33/67/69/570336769.db2.gz PDKJWPKOBYHCOI-UHFFFAOYSA-N 0 0 388.533 4.051 40 0 GIABRN Cc1ccccc1CSCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408573352 570340650 /nfs/dbraw/zinc/34/06/50/570340650.db2.gz CGCPKZIRYHGTKK-YRNVUSSQSA-N 0 0 380.557 4.086 40 0 GIABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000023125012 570344861 /nfs/dbraw/zinc/34/48/61/570344861.db2.gz MUOUASIIQVDZOO-QGZVFWFLSA-N 0 0 382.504 4.227 40 0 GIABRN COc1ccc(OC[C@@H](C)NC(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000218986427 570345229 /nfs/dbraw/zinc/34/52/29/570345229.db2.gz LUZKVVAWIHFWMU-GOSISDBHSA-N 0 0 391.467 4.472 40 0 GIABRN COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc32)cc1 ZINC000219039498 570346657 /nfs/dbraw/zinc/34/66/57/570346657.db2.gz WCQJHBQOIPTJEF-IRXDYDNUSA-N 0 0 379.456 4.199 40 0 GIABRN C[C@@H](Oc1cccc2ccccc21)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000219049636 570346983 /nfs/dbraw/zinc/34/69/83/570346983.db2.gz KBLFECIQYTXHNR-MRXNPFEDSA-N 0 0 387.439 4.316 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccccc3Cl)n2)c1 ZINC000219062678 570347322 /nfs/dbraw/zinc/34/73/22/570347322.db2.gz PLITYCMTRKJXRO-CQSZACIVSA-N 0 0 385.851 4.124 40 0 GIABRN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(CN3CCCC3=O)cc1)CC(C)(C)O2 ZINC000219231577 570350084 /nfs/dbraw/zinc/35/00/84/570350084.db2.gz ZVCCBHNIXOZMNZ-HXUWFJFHSA-N 0 0 392.499 4.150 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1ccc(F)cc1 ZINC000219264560 570350869 /nfs/dbraw/zinc/35/08/69/570350869.db2.gz MRFLIOXINRBGLA-UHFFFAOYSA-N 0 0 391.493 4.219 40 0 GIABRN CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccc(C)cc1C ZINC000219286922 570351127 /nfs/dbraw/zinc/35/11/27/570351127.db2.gz IHSWQGXPSLNRKE-SFHVURJKSA-N 0 0 394.924 4.209 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000219293744 570351487 /nfs/dbraw/zinc/35/14/87/570351487.db2.gz KETDBYSDVYJECX-GFCCVEGCSA-N 0 0 391.880 4.268 40 0 GIABRN CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000219292899 570351650 /nfs/dbraw/zinc/35/16/50/570351650.db2.gz LRTZBNWXKCHSPK-CXAGYDPISA-N 0 0 377.868 4.392 40 0 GIABRN Cc1cccc(O[C@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)c1C ZINC000219311466 570353986 /nfs/dbraw/zinc/35/39/86/570353986.db2.gz NVDFMVOQQJTLDI-CQSZACIVSA-N 0 0 385.851 4.091 40 0 GIABRN O=C(Cc1ccc(F)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023304305 570354051 /nfs/dbraw/zinc/35/40/51/570354051.db2.gz SIXZMYQDTHDKSC-UHFFFAOYSA-N 0 0 388.486 4.302 40 0 GIABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219328955 570355053 /nfs/dbraw/zinc/35/50/53/570355053.db2.gz FCFZENJLXLAFBK-MRXNPFEDSA-N 0 0 389.814 4.003 40 0 GIABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000219329181 570355054 /nfs/dbraw/zinc/35/50/54/570355054.db2.gz KEOIGGWGOUKPTD-GOSISDBHSA-N 0 0 383.423 4.000 40 0 GIABRN CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000219328919 570355058 /nfs/dbraw/zinc/35/50/58/570355058.db2.gz FDRBLPMSHUEOHC-INIZCTEOSA-N 0 0 389.814 4.003 40 0 GIABRN CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1cccc(OC)c1 ZINC000219357502 570356540 /nfs/dbraw/zinc/35/65/40/570356540.db2.gz CIQUUKGSCUWYMJ-NRFANRHFSA-N 0 0 385.504 4.390 40 0 GIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219360178 570357020 /nfs/dbraw/zinc/35/70/20/570357020.db2.gz YBKNTIADHQUHBX-VQTJNVASSA-N 0 0 399.487 4.280 40 0 GIABRN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(OC)cc2OC)c1 ZINC000057315589 570360436 /nfs/dbraw/zinc/36/04/36/570360436.db2.gz NIOAGPQUUYFWJH-GFCCVEGCSA-N 0 0 388.489 4.050 40 0 GIABRN Cc1ccc(C(=O)NC(=S)Nc2cc(NC(=O)c3ccco3)ccc2C)cc1 ZINC000057315918 570360764 /nfs/dbraw/zinc/36/07/64/570360764.db2.gz PCPPPJXEVPRYTJ-UHFFFAOYSA-N 0 0 393.468 4.276 40 0 GIABRN COc1ccc(C(=O)NC(=S)Nc2cccc3nc(C)ccc32)cc1Cl ZINC000057315900 570360769 /nfs/dbraw/zinc/36/07/69/570360769.db2.gz XJXFGMSHFOTRAD-UHFFFAOYSA-N 0 0 385.876 4.332 40 0 GIABRN COc1ccc(NC(=O)CCCN2c3cccc4cccc(c34)C2=O)cc1OC ZINC000219453782 570362001 /nfs/dbraw/zinc/36/20/01/570362001.db2.gz GEGHOJKCCKPXBM-UHFFFAOYSA-N 0 0 390.439 4.236 40 0 GIABRN Cc1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1NC(=O)c1ccccc1 ZINC000408617929 570364729 /nfs/dbraw/zinc/36/47/29/570364729.db2.gz FDTPVYTVDVDJFN-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN Cc1ccc(O[C@@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1C ZINC000219521662 570365627 /nfs/dbraw/zinc/36/56/27/570365627.db2.gz JSKNXPPVMJWVIJ-AWEZNQCLSA-N 0 0 385.851 4.091 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(C)cc3C)n2)cc1 ZINC000219538000 570366236 /nfs/dbraw/zinc/36/62/36/570366236.db2.gz VPIABPUSPHOCGG-QGZVFWFLSA-N 0 0 379.460 4.088 40 0 GIABRN CC[C@H](c1nnnn1C1CCCCC1)N1CCN(c2cc(C)ccc2C)CC1 ZINC000057669453 570366856 /nfs/dbraw/zinc/36/68/56/570366856.db2.gz HHRKMIZHKMOWCQ-HXUWFJFHSA-N 0 0 382.556 4.068 40 0 GIABRN CC[C@H](Oc1ccccc1OC)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219566214 570369109 /nfs/dbraw/zinc/36/91/09/570369109.db2.gz SOBTWZPPKDJCLB-ROUUACIJSA-N 0 0 399.487 4.280 40 0 GIABRN Cc1ccsc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(C)c2C)C1=O ZINC000006479077 570369648 /nfs/dbraw/zinc/36/96/48/570369648.db2.gz XFUIAJNBSFNIFL-CXUHLZMHSA-N 0 0 386.498 4.348 40 0 GIABRN CC(C)(C)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000408624886 570372203 /nfs/dbraw/zinc/37/22/03/570372203.db2.gz DEHFRXVSTSZUKN-UHFFFAOYSA-N 0 0 389.908 4.451 40 0 GIABRN CCCC[C@H](CC)C(=O)O[C@H](C)C(=O)NC[C@H](C)OC(=O)[C@@H](CC)CCCC ZINC000004428349 570375054 /nfs/dbraw/zinc/37/50/54/570375054.db2.gz BUFBUWAALXANIF-RDGPPVDQSA-N 0 0 399.572 4.399 40 0 GIABRN COc1ccc(N(Cc2ccccc2C)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000408625044 570375961 /nfs/dbraw/zinc/37/59/61/570375961.db2.gz HWIVKOOECIPNDF-UHFFFAOYSA-N 0 0 397.496 4.408 40 0 GIABRN O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1 ZINC000408625580 570377102 /nfs/dbraw/zinc/37/71/02/570377102.db2.gz DXWNEFVQJMIBJH-UHFFFAOYSA-N 0 0 387.464 4.299 40 0 GIABRN COc1ccc(OC)c(C(=O)CN(c2ccccc2C)C2=NCCCS2)c1 ZINC000008415684 570379077 /nfs/dbraw/zinc/37/90/77/570379077.db2.gz BJYBVGJYEZOXOL-UHFFFAOYSA-N 0 0 384.501 4.194 40 0 GIABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc2ccccc2c1)c1ccccc1 ZINC000408627502 570379974 /nfs/dbraw/zinc/37/99/74/570379974.db2.gz NDYNIESHAAKHIH-UHFFFAOYSA-N 0 0 382.485 4.025 40 0 GIABRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(C)cc2)c1 ZINC000408627766 570380264 /nfs/dbraw/zinc/38/02/64/570380264.db2.gz NNTAEPJVBYWWQY-UHFFFAOYSA-N 0 0 375.881 4.124 40 0 GIABRN O=C(CN(c1ccccc1)C1=NCCCS1)c1ccccc1OC(F)F ZINC000008436129 570380332 /nfs/dbraw/zinc/38/03/32/570380332.db2.gz ACQQDZNHWROGCJ-UHFFFAOYSA-N 0 0 376.428 4.470 40 0 GIABRN O=C(NC(=S)NCc1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000408628954 570381188 /nfs/dbraw/zinc/38/11/88/570381188.db2.gz YPLRDDHVLQTJGH-UHFFFAOYSA-N 0 0 376.481 4.070 40 0 GIABRN CC[C@H](C(=O)Nc1ccccc1Cl)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220530218 570388131 /nfs/dbraw/zinc/38/81/31/570388131.db2.gz ZOWPSZROMPTKSH-QGZVFWFLSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@H](C(=O)Nc1cc(C)cc(C)c1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220529595 570388150 /nfs/dbraw/zinc/38/81/50/570388150.db2.gz YKEJAGAEXRXYJB-LJQANCHMSA-N 0 0 388.533 4.104 40 0 GIABRN O=C(Cc1c(F)cccc1Cl)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000024931294 570399225 /nfs/dbraw/zinc/39/92/25/570399225.db2.gz GZDYJLNONIYZEV-HXUWFJFHSA-N 0 0 397.881 4.460 40 0 GIABRN Clc1ccc(CNc2ncnc3c2ncn3[C@@H]2CCCCO2)cc1Cl ZINC000004778022 570405238 /nfs/dbraw/zinc/40/52/38/570405238.db2.gz HDAJSKIAZVRSAM-AWEZNQCLSA-N 0 0 378.263 4.444 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222396621 570409654 /nfs/dbraw/zinc/40/96/54/570409654.db2.gz IUHTUCVPLXPUNR-AWEZNQCLSA-N 0 0 393.314 4.008 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1 ZINC000222409165 570409950 /nfs/dbraw/zinc/40/99/50/570409950.db2.gz SWTHPSOGHBCNQN-QFIPXVFZSA-N 0 0 396.531 4.014 40 0 GIABRN O=C(c1cccs1)[C@@H]1CN(Cc2ccccc2)CC[C@@]1(O)c1cccs1 ZINC000054073051 570410660 /nfs/dbraw/zinc/41/06/60/570410660.db2.gz CSELUCAFPBCIKL-UWJYYQICSA-N 0 0 383.538 4.402 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc21 ZINC000222438786 570410817 /nfs/dbraw/zinc/41/08/17/570410817.db2.gz CUDIBXIIWPDTIY-IBGZPJMESA-N 0 0 388.511 4.244 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222488379 570412272 /nfs/dbraw/zinc/41/22/72/570412272.db2.gz YHZDJAPASREUII-AWEZNQCLSA-N 0 0 393.314 4.008 40 0 GIABRN CCc1cccc(CC)c1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl ZINC000222514823 570413226 /nfs/dbraw/zinc/41/32/26/570413226.db2.gz GASANKPAAMZRLM-UHFFFAOYSA-N 0 0 394.924 4.113 40 0 GIABRN COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(Cl)cc1O ZINC000222590080 570415836 /nfs/dbraw/zinc/41/58/36/570415836.db2.gz GFEYHABLQHPKEU-LZVXQISVSA-N 0 0 375.881 4.039 40 0 GIABRN COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222599597 570416106 /nfs/dbraw/zinc/41/61/06/570416106.db2.gz RBQBGYKQJXGKIV-IWMITWMQSA-N 0 0 390.512 4.470 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C ZINC000222655427 570418952 /nfs/dbraw/zinc/41/89/52/570418952.db2.gz SQBPNARTOHBGMH-OAQYLSRUSA-N 0 0 384.495 4.009 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222656585 570419002 /nfs/dbraw/zinc/41/90/02/570419002.db2.gz HHXMUTCIDMIIPY-LJQANCHMSA-N 0 0 380.532 4.260 40 0 GIABRN C[C@]12CC[C@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@@H]3[C@@H]1CC(=O)[C@@H]2O ZINC000004962071 570420189 /nfs/dbraw/zinc/42/01/89/570420189.db2.gz PGGRKBVFTNNQNV-PCMMFNKQSA-N 0 0 390.479 4.302 40 0 GIABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000222700807 570421338 /nfs/dbraw/zinc/42/13/38/570421338.db2.gz OKWICJRBOVDNHA-JKSUJKDBSA-N 0 0 377.440 4.256 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222740083 570423192 /nfs/dbraw/zinc/42/31/92/570423192.db2.gz HUPSMXYOWWCGNY-IBGZPJMESA-N 0 0 380.532 4.178 40 0 GIABRN CCOc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)cc1OCC ZINC000007360685 570423881 /nfs/dbraw/zinc/42/38/81/570423881.db2.gz YEXXVDIGIZGTTB-UHFFFAOYSA-N 0 0 379.478 4.072 40 0 GIABRN O=C(COc1cccc(Cl)c1)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000222766814 570424817 /nfs/dbraw/zinc/42/48/17/570424817.db2.gz RRNKXBXDLZOQKY-UHFFFAOYSA-N 0 0 386.879 4.374 40 0 GIABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 ZINC000222784952 570425790 /nfs/dbraw/zinc/42/57/90/570425790.db2.gz HJSPIDUOLRDGNU-MRXNPFEDSA-N 0 0 386.923 4.215 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222783961 570425859 /nfs/dbraw/zinc/42/58/59/570425859.db2.gz XQNCBGSANZNKNB-HXUWFJFHSA-N 0 0 394.559 4.486 40 0 GIABRN Cc1ccc(C2(SC[C@H]([NH3+])C(=O)[O-])c3ccccc3-c3ccccc32)cc1 ZINC000005049534 570426188 /nfs/dbraw/zinc/42/61/88/570426188.db2.gz YWCIZQDYPYCAPN-NRFANRHFSA-N 0 0 375.493 4.412 40 0 GIABRN COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C(C)C ZINC000222820509 570427618 /nfs/dbraw/zinc/42/76/18/570427618.db2.gz KUHNTOUCEFGLBJ-RTWAWAEBSA-N 0 0 392.528 4.262 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CSc1ccccc1 ZINC000222900108 570430666 /nfs/dbraw/zinc/43/06/66/570430666.db2.gz STEHKRZQFHVNIH-NRFANRHFSA-N 0 0 398.572 4.153 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CSc1ccccc1 ZINC000222900169 570430804 /nfs/dbraw/zinc/43/08/04/570430804.db2.gz STEHKRZQFHVNIH-OAQYLSRUSA-N 0 0 398.572 4.153 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000222917829 570431562 /nfs/dbraw/zinc/43/15/62/570431562.db2.gz CWCTZLPKNBHONO-CQSZACIVSA-N 0 0 393.314 4.089 40 0 GIABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000223002471 570436730 /nfs/dbraw/zinc/43/67/30/570436730.db2.gz JNXCLDHVKJKNOH-GOSISDBHSA-N 0 0 399.878 4.481 40 0 GIABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 ZINC000223018428 570437654 /nfs/dbraw/zinc/43/76/54/570437654.db2.gz XVAJGZIQFJTQQG-VQTJNVASSA-N 0 0 384.549 4.007 40 0 GIABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)COc1ccc(OC)cc1 ZINC000223026235 570438378 /nfs/dbraw/zinc/43/83/78/570438378.db2.gz GHJZNFZSJPTLIQ-QRWLVFNGSA-N 0 0 391.895 4.398 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C ZINC000223035183 570439152 /nfs/dbraw/zinc/43/91/52/570439152.db2.gz UZFRKZBUVNGMIP-NRFANRHFSA-N 0 0 394.559 4.488 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 ZINC000223048414 570439790 /nfs/dbraw/zinc/43/97/90/570439790.db2.gz GXAFBYLCDQPXJD-NRFANRHFSA-N 0 0 398.572 4.172 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223048185 570439918 /nfs/dbraw/zinc/43/99/18/570439918.db2.gz GTIMJYXCASWJIM-JOCHJYFZSA-N 0 0 396.531 4.051 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F ZINC000223093128 570442811 /nfs/dbraw/zinc/44/28/11/570442811.db2.gz KCUCQKGEVDHTCR-GOSISDBHSA-N 0 0 384.495 4.010 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(C)cc1 ZINC000223128607 570445074 /nfs/dbraw/zinc/44/50/74/570445074.db2.gz UQAWZTKRXWYTQW-ZWKOTPCHSA-N 0 0 384.495 4.009 40 0 GIABRN O=C(CSCc1ccc(F)cc1)Nc1ccccc1C(=O)N1CCCCC1 ZINC000027918255 570445019 /nfs/dbraw/zinc/44/50/19/570445019.db2.gz MJTQUTFYXWEQHV-UHFFFAOYSA-N 0 0 386.492 4.324 40 0 GIABRN CC1(C)CC(=O)[C@@H]2C(c3ccc4c(c3)OCO4)[C@@H]3C(=O)CC(C)(C)C[C@@H]3O[C@H]2C1 ZINC000005551846 570445580 /nfs/dbraw/zinc/44/55/80/570445580.db2.gz VZSHNZIJGWRJFJ-YSMCHUBRSA-N 0 0 398.499 4.277 40 0 GIABRN COC(=O)c1cc2cc(NC(=O)COc3cccc4cccnc43)ccc2s1 ZINC000223137209 570445849 /nfs/dbraw/zinc/44/58/49/570445849.db2.gz AWPHNNMVVCGQKG-UHFFFAOYSA-N 0 0 392.436 4.254 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 ZINC000223134377 570446026 /nfs/dbraw/zinc/44/60/26/570446026.db2.gz ALWAGOMVHQNDOU-HXUWFJFHSA-N 0 0 386.923 4.134 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1C ZINC000005558695 570446371 /nfs/dbraw/zinc/44/63/71/570446371.db2.gz DOBBMSCAEYNRPI-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN COc1ccccc1CNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039772380 570446616 /nfs/dbraw/zinc/44/66/16/570446616.db2.gz ZOLFRDBMZKNHHZ-UHFFFAOYSA-N 0 0 390.886 4.016 40 0 GIABRN C[C@@H](NC(=O)c1ccc(I)cc1)c1ccc2c(c1)CCC2 ZINC000223158135 570447292 /nfs/dbraw/zinc/44/72/92/570447292.db2.gz RWUUEUXFXVKYPO-GFCCVEGCSA-N 0 0 391.252 4.271 40 0 GIABRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C ZINC000223200656 570449509 /nfs/dbraw/zinc/44/95/09/570449509.db2.gz OSXQSLGXCHRLFV-JOCHJYFZSA-N 0 0 398.522 4.338 40 0 GIABRN COC(=O)c1cc(NC(=O)Nc2cccc3ccccc32)cc(C(=O)OC)c1 ZINC000005675169 570451008 /nfs/dbraw/zinc/45/10/08/570451008.db2.gz RHZPBDIACDOZLX-UHFFFAOYSA-N 0 0 378.384 4.057 40 0 GIABRN O=C(NCc1ccccc1Cl)/C(=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000005680394 570451266 /nfs/dbraw/zinc/45/12/66/570451266.db2.gz BGSFJIJBVYFQFN-QNGOZBTKSA-N 0 0 390.870 4.427 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000223241532 570452413 /nfs/dbraw/zinc/45/24/13/570452413.db2.gz XIWUQYFBTCRAHF-SFHVURJKSA-N 0 0 384.495 4.092 40 0 GIABRN COc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2cccc3ccccc32)cc1 ZINC000035289396 570454186 /nfs/dbraw/zinc/45/41/86/570454186.db2.gz PQYSODCKLSHPOH-NRFANRHFSA-N 0 0 389.455 4.483 40 0 GIABRN COc1ccc(/C=C/C(=O)NCCOc2cccc3ccccc32)cc1OC ZINC000005745341 570455122 /nfs/dbraw/zinc/45/51/22/570455122.db2.gz IVFNKHVEQIQPAF-ACCUITESSA-N 0 0 377.440 4.065 40 0 GIABRN CCOc1ccc(CCCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 ZINC000223304568 570456982 /nfs/dbraw/zinc/45/69/82/570456982.db2.gz ONXTVWDYMVAGTD-SFHVURJKSA-N 0 0 381.516 4.480 40 0 GIABRN CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223311885 570457716 /nfs/dbraw/zinc/45/77/16/570457716.db2.gz HCYWEECQXHSCFY-UGKGYDQZSA-N 0 0 380.532 4.341 40 0 GIABRN COc1cc2[nH]c(-c3cc(OC)c(OC)c(OC)c3)nc2c(Br)c1 ZINC000226343488 570459880 /nfs/dbraw/zinc/45/98/80/570459880.db2.gz KWUZMTNFHSTGAC-UHFFFAOYSA-N 0 0 393.237 4.027 40 0 GIABRN CCCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000223344370 570460412 /nfs/dbraw/zinc/46/04/12/570460412.db2.gz FVXUJIWPMNSVGQ-QHCPKHFHSA-N 0 0 390.483 4.466 40 0 GIABRN Cc1cc(C)cc(NC(=S)N2CCC(NC(=O)c3cccc(F)c3)CC2)c1 ZINC000035291804 570461178 /nfs/dbraw/zinc/46/11/78/570461178.db2.gz OWDIGVISBFDJFL-UHFFFAOYSA-N 0 0 385.508 4.034 40 0 GIABRN CCC[C@H](C)Nc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000223413078 570464736 /nfs/dbraw/zinc/46/47/36/570464736.db2.gz SZSKYLWWSBUYAS-HNNXBMFYSA-N 0 0 390.505 4.183 40 0 GIABRN COc1cc(NC(=S)NC(=O)c2ccc(C)cc2C)ccc1NC(=O)C(C)C ZINC000006044219 570465052 /nfs/dbraw/zinc/46/50/52/570465052.db2.gz ZNXSNMNEDIXVCO-UHFFFAOYSA-N 0 0 399.516 4.033 40 0 GIABRN O=C(c1ccc(Cl)cc1)C1CCN(C(=S)NCCc2ccccc2)CC1 ZINC000035311524 570466723 /nfs/dbraw/zinc/46/67/23/570466723.db2.gz HNGBCEDBGXARHK-UHFFFAOYSA-N 0 0 386.948 4.352 40 0 GIABRN CC(C)c1ccc(NC(=O)C2CCN(C(=O)NCc3ccccc3)CC2)cc1 ZINC000035313169 570467857 /nfs/dbraw/zinc/46/78/57/570467857.db2.gz SJMMFQQJSDCUNW-UHFFFAOYSA-N 0 0 379.504 4.370 40 0 GIABRN COc1ccc(NC(=S)N2CCC(n3cnc4cc(F)ccc43)CC2)cc1 ZINC000035314264 570468629 /nfs/dbraw/zinc/46/86/29/570468629.db2.gz JXAVMNBZVJXAHR-UHFFFAOYSA-N 0 0 384.480 4.218 40 0 GIABRN CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(C)=O ZINC000223543695 570470397 /nfs/dbraw/zinc/47/03/97/570470397.db2.gz RIOLPNLMXOOWFH-JOCHJYFZSA-N 0 0 382.504 4.091 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223547140 570470641 /nfs/dbraw/zinc/47/06/41/570470641.db2.gz RJDOJKWSWZZGFP-AWEZNQCLSA-N 0 0 393.314 4.089 40 0 GIABRN CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCC ZINC000223548817 570470731 /nfs/dbraw/zinc/47/07/31/570470731.db2.gz YUQSAQURXFDESN-QFIPXVFZSA-N 0 0 382.504 4.091 40 0 GIABRN O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(CN2CCCC2=O)cc1 ZINC000029376441 570472533 /nfs/dbraw/zinc/47/25/33/570472533.db2.gz XUBOFLQKJGKZJV-UHFFFAOYSA-N 0 0 378.472 4.383 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223626529 570475475 /nfs/dbraw/zinc/47/54/75/570475475.db2.gz PRIBRCVKOUTWGW-LJQANCHMSA-N 0 0 396.531 4.051 40 0 GIABRN Cc1cccc(CSCC(=O)Nc2ccc(I)cc2)c1 ZINC000006277402 570475560 /nfs/dbraw/zinc/47/55/60/570475560.db2.gz IJRFZOSAXIPNAX-UHFFFAOYSA-N 0 0 397.281 4.472 40 0 GIABRN O=C(NCc1ccc(Cl)cc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000006280255 570475741 /nfs/dbraw/zinc/47/57/41/570475741.db2.gz UNIYYUCWSLSHIQ-UYRXBGFRSA-N 0 0 380.831 4.020 40 0 GIABRN O=C(COc1cccc(C(F)(F)F)c1)NCCOc1ccc2ccccc2c1 ZINC000223647157 570476726 /nfs/dbraw/zinc/47/67/26/570476726.db2.gz VNQHJMIEHQRPRA-UHFFFAOYSA-N 0 0 389.373 4.433 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 ZINC000223653574 570477024 /nfs/dbraw/zinc/47/70/24/570477024.db2.gz QUUSXIODOGMZLM-JOCHJYFZSA-N 0 0 398.522 4.400 40 0 GIABRN CC(C)Oc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 ZINC000223666374 570477544 /nfs/dbraw/zinc/47/75/44/570477544.db2.gz YLZIWZMRMYDFAI-UHFFFAOYSA-N 0 0 375.490 4.378 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1ccccc1 ZINC000223677821 570478342 /nfs/dbraw/zinc/47/83/42/570478342.db2.gz DVIDDHMBBRVCOI-QFIPXVFZSA-N 0 0 394.559 4.384 40 0 GIABRN CC[C@H](NS(=O)(=O)c1cc2c(cc1OC)CCCC2)c1ccc(OC)cc1 ZINC000223700216 570479704 /nfs/dbraw/zinc/47/97/04/570479704.db2.gz NCQRLEOWSFBWNZ-IBGZPJMESA-N 0 0 389.517 4.012 40 0 GIABRN COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2cccc(C)c2)n[nH]1 ZINC000006464159 570480696 /nfs/dbraw/zinc/48/06/96/570480696.db2.gz DTJKCQNTEYABHJ-UHFFFAOYSA-N 0 0 388.880 4.173 40 0 GIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCOc1ccccc1C(C)(C)C ZINC000223714534 570481061 /nfs/dbraw/zinc/48/10/61/570481061.db2.gz IDMJZHAIAUAMIJ-HXUWFJFHSA-N 0 0 385.504 4.345 40 0 GIABRN O=C(Nc1ccccc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000006475609 570481180 /nfs/dbraw/zinc/48/11/80/570481180.db2.gz JQPXVEGNVGEDGI-OAQYLSRUSA-N 0 0 378.453 4.306 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCSCc2ccccc2Cl)c(C)c1 ZINC000223728410 570481769 /nfs/dbraw/zinc/48/17/69/570481769.db2.gz ULKACCBWZZHPLA-UHFFFAOYSA-N 0 0 399.965 4.177 40 0 GIABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)[nH]c2C)cc1 ZINC000223748312 570483015 /nfs/dbraw/zinc/48/30/15/570483015.db2.gz VMXLOZHXJITYKR-WOJBJXKFSA-N 0 0 378.501 4.212 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 ZINC000223781783 570484263 /nfs/dbraw/zinc/48/42/63/570484263.db2.gz QNNMFLQBKPRUNL-QGZVFWFLSA-N 0 0 386.923 4.216 40 0 GIABRN CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)cc1 ZINC000006596375 570484435 /nfs/dbraw/zinc/48/44/35/570484435.db2.gz UVVDSIFWGUJTLF-UHCBGPFTSA-N 0 0 386.561 4.293 40 0 GIABRN COC(=O)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3Cc4ccccc4[C@@H]32)cc1 ZINC000006606391 570484716 /nfs/dbraw/zinc/48/47/16/570484716.db2.gz DBNZSTWAWLVZQS-IKGGRYGDSA-N 0 0 395.505 4.169 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223792498 570484769 /nfs/dbraw/zinc/48/47/69/570484769.db2.gz LVHYIGUFMOJPNH-IBGZPJMESA-N 0 0 378.516 4.014 40 0 GIABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000223794456 570485198 /nfs/dbraw/zinc/48/51/98/570485198.db2.gz MXAYNJZJUBCLSP-KRWDZBQOSA-N 0 0 383.473 4.318 40 0 GIABRN Cc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223808179 570485253 /nfs/dbraw/zinc/48/52/53/570485253.db2.gz NWDLERUIDFMXRG-FQEVSTJZSA-N 0 0 392.543 4.404 40 0 GIABRN CCOC(=O)c1c(NC(=O)Cn2ccc3ccccc32)sc2c1CCCC2 ZINC000006630331 570485408 /nfs/dbraw/zinc/48/54/08/570485408.db2.gz RLCCXAVLZATQTD-UHFFFAOYSA-N 0 0 382.485 4.397 40 0 GIABRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c3ccccc23)C1=O ZINC000006650280 570485860 /nfs/dbraw/zinc/48/58/60/570485860.db2.gz HDSRBADNQMOKQF-LDADJPATSA-N 0 0 399.468 4.228 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(C)c1 ZINC000223842413 570486738 /nfs/dbraw/zinc/48/67/38/570486738.db2.gz BEOVNYGBKNYIID-QGZVFWFLSA-N 0 0 386.923 4.134 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC3=CCCCC3)cc2)cc1 ZINC000223844501 570486960 /nfs/dbraw/zinc/48/69/60/570486960.db2.gz CUWUIWWOXNLOFW-UHFFFAOYSA-N 0 0 398.528 4.050 40 0 GIABRN CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C ZINC000223853489 570487177 /nfs/dbraw/zinc/48/71/77/570487177.db2.gz MVJURAIEJJPNCB-RTWAWAEBSA-N 0 0 392.528 4.403 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 ZINC000223878431 570488354 /nfs/dbraw/zinc/48/83/54/570488354.db2.gz OUJSEFJEIZVMJM-AWEZNQCLSA-N 0 0 393.314 4.089 40 0 GIABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000223931920 570490518 /nfs/dbraw/zinc/49/05/18/570490518.db2.gz BDBKAMBDSVCRTB-KRWDZBQOSA-N 0 0 394.496 4.287 40 0 GIABRN CCCC[C@@H](CC)CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000223928800 570490529 /nfs/dbraw/zinc/49/05/29/570490529.db2.gz FMVQOGQBEDDRFG-QGZVFWFLSA-N 0 0 388.533 4.434 40 0 GIABRN Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc2c(c1)OCO2 ZINC000223999692 570493567 /nfs/dbraw/zinc/49/35/67/570493567.db2.gz BKEJRYDMMORIEA-MSOLQXFVSA-N 0 0 395.509 4.357 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN(C)c1ccccc1 ZINC000223996392 570493667 /nfs/dbraw/zinc/49/36/67/570493667.db2.gz QBDXAKXOCAYDBT-HSZRJFAPSA-N 0 0 380.532 4.366 40 0 GIABRN Cc1cc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)ccc1N1CCCC1=O ZINC000224000164 570493749 /nfs/dbraw/zinc/49/37/49/570493749.db2.gz GXRFFKLAVOCOFS-KRWDZBQOSA-N 0 0 392.499 4.407 40 0 GIABRN CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1ccc(OC)c(C)c1 ZINC000224001995 570494123 /nfs/dbraw/zinc/49/41/23/570494123.db2.gz RQGQBDZXSYQKBV-OAHLLOKOSA-N 0 0 383.897 4.095 40 0 GIABRN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000224008304 570494619 /nfs/dbraw/zinc/49/46/19/570494619.db2.gz ULJQXVVYYXBKGA-UHFFFAOYSA-N 0 0 394.924 4.368 40 0 GIABRN O=C(NC1CCCCC1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224027655 570495421 /nfs/dbraw/zinc/49/54/21/570495421.db2.gz XYEBURNCDNYZOU-UHFFFAOYSA-N 0 0 392.908 4.203 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000224080055 570497629 /nfs/dbraw/zinc/49/76/29/570497629.db2.gz SAPUCGBNSVYNKB-QGZVFWFLSA-N 0 0 384.495 4.009 40 0 GIABRN COc1ccc(S[C@@H](C)C(=O)NCc2cccc(OC(C)C)c2)cc1OC ZINC000030849256 570498297 /nfs/dbraw/zinc/49/82/97/570498297.db2.gz PWSNOXZSOWQJGW-HNNXBMFYSA-N 0 0 389.517 4.288 40 0 GIABRN Cc1cccc(CN(C)C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 ZINC000224094777 570498443 /nfs/dbraw/zinc/49/84/43/570498443.db2.gz DJHWAZDDFHLYHU-UHFFFAOYSA-N 0 0 394.496 4.068 40 0 GIABRN Cc1cc(C)cc(OCCNC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 ZINC000224097180 570498715 /nfs/dbraw/zinc/49/87/15/570498715.db2.gz FXKOFKFIBIENOM-HNNXBMFYSA-N 0 0 392.293 4.028 40 0 GIABRN Cc1cc(C)cc(OCCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 ZINC000224097130 570498774 /nfs/dbraw/zinc/49/87/74/570498774.db2.gz FXKOFKFIBIENOM-OAHLLOKOSA-N 0 0 392.293 4.028 40 0 GIABRN COc1ccc(CCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000030856924 570498841 /nfs/dbraw/zinc/49/88/41/570498841.db2.gz REWVGRIVYBBQTF-UHFFFAOYSA-N 0 0 386.495 4.230 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 ZINC000224164261 570501610 /nfs/dbraw/zinc/50/16/10/570501610.db2.gz HQSOSLBVTMDDKP-HXUWFJFHSA-N 0 0 386.923 4.134 40 0 GIABRN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCOc1ccc(Cl)cc1 ZINC000224179326 570502740 /nfs/dbraw/zinc/50/27/40/570502740.db2.gz NXZWMAHEWBFPMB-UHFFFAOYSA-N 0 0 394.707 4.145 40 0 GIABRN COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1ccccc1C(C)C ZINC000224227304 570504370 /nfs/dbraw/zinc/50/43/70/570504370.db2.gz LXQRPCPAJYILIM-IBGZPJMESA-N 0 0 383.488 4.306 40 0 GIABRN CCCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000224233403 570504939 /nfs/dbraw/zinc/50/49/39/570504939.db2.gz LYTDKHJSRKBPBN-UHFFFAOYSA-N 0 0 394.924 4.085 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cccc(C)c3)c2)cc1 ZINC000224259868 570506025 /nfs/dbraw/zinc/50/60/25/570506025.db2.gz ZTIUEHKDUGDQFA-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN COc1ccc(OCc2cc(C(=O)NCCc3ccccc3)ccc2OC)cc1 ZINC000224262952 570506369 /nfs/dbraw/zinc/50/63/69/570506369.db2.gz DARVVGCDYLQLEX-UHFFFAOYSA-N 0 0 391.467 4.255 40 0 GIABRN O=C(CC[NH+]1CCCC1)C[C@H](c1ccccc1)c1c(=O)oc2ccccc2c1[O-] ZINC000031841722 570506733 /nfs/dbraw/zinc/50/67/33/570506733.db2.gz VHJRIUZUBOUWSO-HXUWFJFHSA-N 0 0 391.467 4.076 40 0 GIABRN COc1cccc([C@H]2c3cc4c(cc3O[C@H](N3CCCC3)[C@@H]2C)OCO4)c1OC ZINC000031860785 570506755 /nfs/dbraw/zinc/50/67/55/570506755.db2.gz GWPIAAOPZQZVTR-ZGFCVWDJSA-N 0 0 397.471 4.015 40 0 GIABRN COC[C@@H](C)NC(=O)c1ccc(OC)c(COc2cccc3ccccc32)c1 ZINC000224308165 570508406 /nfs/dbraw/zinc/50/84/06/570508406.db2.gz VCTRNERHJRBMDM-MRXNPFEDSA-N 0 0 379.456 4.192 40 0 GIABRN CCCCCC(=O)NC(=S)Nc1ccc(NC(=O)CCCC)c(OC)c1 ZINC000032114846 570509170 /nfs/dbraw/zinc/50/91/70/570509170.db2.gz OGQIIRJAYLQKHC-UHFFFAOYSA-N 0 0 379.526 4.217 40 0 GIABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)c1 ZINC000224379848 570511282 /nfs/dbraw/zinc/51/12/82/570511282.db2.gz GBLLSRQDQKRHQL-FQEVSTJZSA-N 0 0 381.516 4.244 40 0 GIABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C ZINC000224396263 570512030 /nfs/dbraw/zinc/51/20/30/570512030.db2.gz DLBYVZXKAHWPOX-PMACEKPBSA-N 0 0 380.492 4.353 40 0 GIABRN Cc1nc(-c2ccc(S(=O)(=O)N3C[C@@H](C)c4ccccc43)s2)cs1 ZINC000032603723 570512152 /nfs/dbraw/zinc/51/21/52/570512152.db2.gz KOZXIHCBHVLJFT-LLVKDONJSA-N 0 0 376.528 4.492 40 0 GIABRN Cc1ccccc1OCc1nnc(SCC(=O)OC(C)C)n1-c1ccccc1 ZINC000000899000 570513595 /nfs/dbraw/zinc/51/35/95/570513595.db2.gz MMEOJAHGJQGUQZ-UHFFFAOYSA-N 0 0 397.500 4.198 40 0 GIABRN Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)N3CCCC[C@@H]3C)n12 ZINC000000902995 570514770 /nfs/dbraw/zinc/51/47/70/570514770.db2.gz BUZIJMPISLAXFT-INIZCTEOSA-N 0 0 382.533 4.301 40 0 GIABRN O=C(COc1cccc2ccccc21)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000007759285 570514938 /nfs/dbraw/zinc/51/49/38/570514938.db2.gz WKXSTFPEIYPPKB-UHFFFAOYSA-N 0 0 393.830 4.238 40 0 GIABRN Cc1ccc2cc(C)c3nnc(SCC(=O)N4CCc5ccccc54)n3c2c1 ZINC000000903082 570515181 /nfs/dbraw/zinc/51/51/81/570515181.db2.gz OUNGMDHEGXIYAF-UHFFFAOYSA-N 0 0 388.496 4.181 40 0 GIABRN C[C@@H]1CCCN(C(=O)CSc2nnc(-c3cccnc3)n2C2CCCCC2)C1 ZINC000000905226 570515995 /nfs/dbraw/zinc/51/59/95/570515995.db2.gz WSVRWFTWKYMRFZ-MRXNPFEDSA-N 0 0 399.564 4.196 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccccc1 ZINC000224523030 570516370 /nfs/dbraw/zinc/51/63/70/570516370.db2.gz XHEVCQHXPKVBPD-UHFFFAOYSA-N 0 0 386.860 4.393 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1cccs1 ZINC000224539665 570517300 /nfs/dbraw/zinc/51/73/00/570517300.db2.gz FRQQRHRQLNIYDJ-UHFFFAOYSA-N 0 0 392.889 4.455 40 0 GIABRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)[nH]c1C ZINC000224556181 570518258 /nfs/dbraw/zinc/51/82/58/570518258.db2.gz HNGZBICSOCSYRY-PMACEKPBSA-N 0 0 378.501 4.212 40 0 GIABRN Cc1c2ccccc2oc1C(=O)N1CC2(C1)C[C@@H](OCc1cccnc1)CS2 ZINC000575402745 570519496 /nfs/dbraw/zinc/51/94/96/570519496.db2.gz GKUUEGASAQGTMA-QGZVFWFLSA-N 0 0 394.496 4.053 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1 ZINC000007948089 570520106 /nfs/dbraw/zinc/52/01/06/570520106.db2.gz RJALEUDMZVNAAC-UHFFFAOYSA-N 0 0 399.472 4.326 40 0 GIABRN Cc1cccc(C(=O)N2CCC3(CC2)OCC[C@H]3CCOCc2ccccn2)c1 ZINC000575404544 570520913 /nfs/dbraw/zinc/52/09/13/570520913.db2.gz NYWUERDETIKMDC-OAQYLSRUSA-N 0 0 394.515 4.008 40 0 GIABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1 ZINC000224643011 570522363 /nfs/dbraw/zinc/52/23/63/570522363.db2.gz NNJOMPZTFIBRHM-KRWDZBQOSA-N 0 0 398.934 4.359 40 0 GIABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCCN2CCc3ccccc32)c1 ZINC000224668787 570523623 /nfs/dbraw/zinc/52/36/23/570523623.db2.gz FRYKPOGEZBQJOF-IBGZPJMESA-N 0 0 380.532 4.455 40 0 GIABRN CCn1c(SCC(=O)Nc2cccc3ccccc32)nc2ccccc2c1=O ZINC000000915461 570523682 /nfs/dbraw/zinc/52/36/82/570523682.db2.gz RVRBRTOMBOJOAV-UHFFFAOYSA-N 0 0 389.480 4.300 40 0 GIABRN CCOc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)c1 ZINC000224681064 570524319 /nfs/dbraw/zinc/52/43/19/570524319.db2.gz YESCJLHIRWZTFC-QNGOZBTKSA-N 0 0 390.439 4.396 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 ZINC000224705297 570526031 /nfs/dbraw/zinc/52/60/31/570526031.db2.gz QNYJTVUHEDAFJO-IBGZPJMESA-N 0 0 398.572 4.339 40 0 GIABRN CCCCOCc1cc(C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC ZINC000224730946 570527339 /nfs/dbraw/zinc/52/73/39/570527339.db2.gz ZFRWZVCJPSLAEL-UHFFFAOYSA-N 0 0 385.460 4.061 40 0 GIABRN CCOc1ccc(C(=O)NCCc2ccc(OC)cc2)cc1COCC(C)C ZINC000224735119 570527740 /nfs/dbraw/zinc/52/77/40/570527740.db2.gz UDDNFJPWSMNBHQ-UHFFFAOYSA-N 0 0 385.504 4.239 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 ZINC000224741829 570528604 /nfs/dbraw/zinc/52/86/04/570528604.db2.gz WPOKAIJVTSQXGZ-SFHVURJKSA-N 0 0 384.545 4.031 40 0 GIABRN CC(=O)O[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C4=C[C@@H](OC(C)=O)CC[C@](C)(O4)[C@H]3CC[C@@]12C ZINC000033769502 570528628 /nfs/dbraw/zinc/52/86/28/570528628.db2.gz WUKVLOYVYZNWAP-AXYNBTRTSA-N 0 0 390.520 4.395 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000224741766 570528708 /nfs/dbraw/zinc/52/87/08/570528708.db2.gz VLZPCTWOTSMMCN-QFIPXVFZSA-N 0 0 398.522 4.338 40 0 GIABRN COc1ccc(S(=O)(=O)NCCSCc2ccccc2Cl)c(C)c1C ZINC000224763765 570529927 /nfs/dbraw/zinc/52/99/27/570529927.db2.gz DOXQXCKSMISYPQ-UHFFFAOYSA-N 0 0 399.965 4.177 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 ZINC000224774310 570530294 /nfs/dbraw/zinc/53/02/94/570530294.db2.gz ZTIWDYHKYASLGO-JOCHJYFZSA-N 0 0 398.522 4.256 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 ZINC000224779374 570530413 /nfs/dbraw/zinc/53/04/13/570530413.db2.gz OHIOBQCSTFWDTB-KRWDZBQOSA-N 0 0 386.923 4.216 40 0 GIABRN CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000224842518 570533672 /nfs/dbraw/zinc/53/36/72/570533672.db2.gz FIWRXZLBEOXWDP-UHFFFAOYSA-N 0 0 395.480 4.340 40 0 GIABRN CC[C@@H]1CCCCN1C(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000000918102 570534128 /nfs/dbraw/zinc/53/41/28/570534128.db2.gz IRCTUQASRHKMBD-GFCCVEGCSA-N 0 0 392.381 4.413 40 0 GIABRN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2)N1CCCCCC1 ZINC000000918393 570534710 /nfs/dbraw/zinc/53/47/10/570534710.db2.gz FZXJKKFQWCCUIB-DOMZBBRYSA-N 0 0 382.386 4.153 40 0 GIABRN O=C(NCc1ccccc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000000918481 570534775 /nfs/dbraw/zinc/53/47/75/570534775.db2.gz RDUJPXFLUNCDIC-CZUORRHYSA-N 0 0 390.365 4.066 40 0 GIABRN CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000224861448 570535127 /nfs/dbraw/zinc/53/51/27/570535127.db2.gz RAAVXOMYUVQWGB-UHFFFAOYSA-N 0 0 397.496 4.489 40 0 GIABRN CC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H](C)C4=C[C@@H](OC(C)=O)CC[C@](C)(O4)[C@H]3CC[C@@]12C ZINC000008618938 570536059 /nfs/dbraw/zinc/53/60/59/570536059.db2.gz WUKVLOYVYZNWAP-VABTYMRFSA-N 0 0 390.520 4.395 40 0 GIABRN Cc1csc(NC(=O)CSc2ncnc3sc4c(c32)CCCC4)n1 ZINC000000929245 570539790 /nfs/dbraw/zinc/53/97/90/570539790.db2.gz FXMWCZMQCBQIPH-UHFFFAOYSA-N 0 0 376.532 4.066 40 0 GIABRN CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000224960652 570539888 /nfs/dbraw/zinc/53/98/88/570539888.db2.gz AMEHNKLGZPRDFJ-UHFFFAOYSA-N 0 0 390.288 4.226 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 ZINC000224974750 570540873 /nfs/dbraw/zinc/54/08/73/570540873.db2.gz BACUZBFKPVUFHW-MOPGFXCFSA-N 0 0 398.572 4.419 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1C ZINC000224972933 570540961 /nfs/dbraw/zinc/54/09/61/570540961.db2.gz ZGYYUTDMHQRPEN-HSZRJFAPSA-N 0 0 394.559 4.160 40 0 GIABRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C ZINC000225020932 570544125 /nfs/dbraw/zinc/54/41/25/570544125.db2.gz LLBCSBKSLQAAFE-SNVBAGLBSA-N 0 0 378.906 4.373 40 0 GIABRN CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225046411 570544803 /nfs/dbraw/zinc/54/48/03/570544803.db2.gz AVDNJQWLGGBILY-UHFFFAOYSA-N 0 0 376.275 4.427 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1F ZINC000225052633 570545403 /nfs/dbraw/zinc/54/54/03/570545403.db2.gz JQHPYUSNJKLZDZ-QZTJIDSGSA-N 0 0 384.495 4.009 40 0 GIABRN COc1ccc(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000000976187 570545512 /nfs/dbraw/zinc/54/55/12/570545512.db2.gz NAOQCQYBSMTSSE-UHFFFAOYSA-N 0 0 384.439 4.259 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C ZINC000225053001 570545709 /nfs/dbraw/zinc/54/57/09/570545709.db2.gz XTLRKINKXHYZIN-VQTJNVASSA-N 0 0 396.531 4.014 40 0 GIABRN CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000225065421 570546250 /nfs/dbraw/zinc/54/62/50/570546250.db2.gz PEROSSBXTQYIFW-UHFFFAOYSA-N 0 0 383.469 4.232 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 ZINC000225097404 570548777 /nfs/dbraw/zinc/54/87/77/570548777.db2.gz NLJIMARZOUZLKB-PMACEKPBSA-N 0 0 380.532 4.260 40 0 GIABRN CCn1c2ccc(NC(=O)COc3cccc4ccccc43)cc2sc1=O ZINC000225101801 570548905 /nfs/dbraw/zinc/54/89/05/570548905.db2.gz HGQKDNAJJLGDPV-UHFFFAOYSA-N 0 0 378.453 4.254 40 0 GIABRN CCCNC(=O)c1nc(-c2ccc(Br)cc2)n(-c2cccc(C)c2)n1 ZINC000008476933 570549920 /nfs/dbraw/zinc/54/99/20/570549920.db2.gz BQALKHMITSGMAA-UHFFFAOYSA-N 0 0 399.292 4.145 40 0 GIABRN CCc1ccc(O[C@H](CC)C(=O)Nc2ccc3c(c2)sc(=O)n3CC)cc1 ZINC000225121762 570550508 /nfs/dbraw/zinc/55/05/08/570550508.db2.gz DPDZJLQBSQQTBV-GOSISDBHSA-N 0 0 384.501 4.441 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C ZINC000225132303 570551389 /nfs/dbraw/zinc/55/13/89/570551389.db2.gz CXENIQVTQUCCHO-PMACEKPBSA-N 0 0 380.532 4.178 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 ZINC000225162464 570552703 /nfs/dbraw/zinc/55/27/03/570552703.db2.gz QTMMAQSFAVDJHZ-NRFANRHFSA-N 0 0 384.495 4.010 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225232905 570558231 /nfs/dbraw/zinc/55/82/31/570558231.db2.gz OPHWKEFMNDDXAC-RTBURBONSA-N 0 0 398.522 4.317 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 ZINC000225246962 570558935 /nfs/dbraw/zinc/55/89/35/570558935.db2.gz XERHAZZQBAAMTL-QZTJIDSGSA-N 0 0 384.495 4.009 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C ZINC000225276239 570561205 /nfs/dbraw/zinc/56/12/05/570561205.db2.gz BFHHYYBRXVENEK-JOCHJYFZSA-N 0 0 398.522 4.319 40 0 GIABRN Cc1ccc(NC(=S)NCCSc2ccccc2)cc1N1CCCC1=O ZINC000225285492 570561721 /nfs/dbraw/zinc/56/17/21/570561721.db2.gz WPQOCTZFSSEOQC-UHFFFAOYSA-N 0 0 385.558 4.201 40 0 GIABRN COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000225292961 570562548 /nfs/dbraw/zinc/56/25/48/570562548.db2.gz YNFVGJKGKRONOI-QHCPKHFHSA-N 0 0 389.499 4.364 40 0 GIABRN COC(=O)c1cccc(NC(=S)NCCSCc2ccc(Cl)cc2)c1 ZINC000225303366 570563496 /nfs/dbraw/zinc/56/34/96/570563496.db2.gz HECHYLWVCBKHAD-UHFFFAOYSA-N 0 0 394.949 4.346 40 0 GIABRN CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1 ZINC000225335472 570565219 /nfs/dbraw/zinc/56/52/19/570565219.db2.gz PCQXZUBZIOPRKK-PMACEKPBSA-N 0 0 378.501 4.374 40 0 GIABRN CCOc1ccccc1CCCNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000010111009 570565595 /nfs/dbraw/zinc/56/55/95/570565595.db2.gz FTODIXKZRAIGFG-UHFFFAOYSA-N 0 0 388.316 4.303 40 0 GIABRN CCOC(=O)c1cccc(NC=C2SC(=O)N(Cc3ccccc3)C2=O)c1 ZINC000036636259 570566536 /nfs/dbraw/zinc/56/65/36/570566536.db2.gz CNZKAZLWIVERIE-ATVHPVEESA-N 0 0 382.441 4.012 40 0 GIABRN Cc1nc2sc3c(c2c(SCC(=O)NC2CCCC2)n1)CC[C@@H](C)C3 ZINC000001326221 570566695 /nfs/dbraw/zinc/56/66/95/570566695.db2.gz PIDKXBRVJVNNST-LLVKDONJSA-N 0 0 375.563 4.275 40 0 GIABRN O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)NCCc1ccccc1 ZINC000001329504 570567362 /nfs/dbraw/zinc/56/73/62/570567362.db2.gz LQHQAEISDXLDBH-UHFFFAOYSA-N 0 0 388.496 4.076 40 0 GIABRN Cc1nc2ccc(NC(=O)CCc3ccccc3)cc2c(=O)n1Cc1ccccc1 ZINC000001331520 570568748 /nfs/dbraw/zinc/56/87/48/570568748.db2.gz KPQBQONWCBVQCT-UHFFFAOYSA-N 0 0 397.478 4.325 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)NCCCc2cccc(C)c2)c1 ZINC000225392808 570569371 /nfs/dbraw/zinc/56/93/71/570569371.db2.gz SCTPQRNEZHUWJN-UHFFFAOYSA-N 0 0 376.909 4.354 40 0 GIABRN Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c1 ZINC000010334129 570569503 /nfs/dbraw/zinc/56/95/03/570569503.db2.gz GIXNJCYLMSPCMV-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN CCOc1ccccc1CCCNC(=S)Nc1cccc(N2CCCC2=O)c1 ZINC000225398112 570569928 /nfs/dbraw/zinc/56/99/28/570569928.db2.gz ZMJYDNKTUSUQOH-UHFFFAOYSA-N 0 0 397.544 4.131 40 0 GIABRN CCCN(C(=O)Cc1cccc(OC)c1)c1nnc(-c2cccc(F)c2)s1 ZINC000001345492 570572261 /nfs/dbraw/zinc/57/22/61/570572261.db2.gz PBWCBRIGSVFEKH-UHFFFAOYSA-N 0 0 385.464 4.339 40 0 GIABRN Cc1cccc2cc(CN(CCc3ccccc3)C(=O)c3ccco3)c(=O)[nH]c12 ZINC000001346806 570572602 /nfs/dbraw/zinc/57/26/02/570572602.db2.gz OJBSZPMVHQBJRZ-UHFFFAOYSA-N 0 0 386.451 4.315 40 0 GIABRN CCN(CC)c1ccc2cc(C(=O)Nc3cccc4ncccc43)c(=O)oc2c1 ZINC000001351474 570572934 /nfs/dbraw/zinc/57/29/34/570572934.db2.gz OFPZPEHDLOCGCG-UHFFFAOYSA-N 0 0 387.439 4.440 40 0 GIABRN CCOc1ccc(CNC(=S)Nc2cc(C(=O)OC)ccc2Cl)cc1 ZINC000225431219 570573277 /nfs/dbraw/zinc/57/32/77/570573277.db2.gz MFOLZAQYCSQSRD-UHFFFAOYSA-N 0 0 378.881 4.012 40 0 GIABRN CCOc1cccc(CNC(=S)Nc2cc(C(=O)OC)ccc2Cl)c1 ZINC000225439805 570574205 /nfs/dbraw/zinc/57/42/05/570574205.db2.gz ZVSKJJQTLQXECM-UHFFFAOYSA-N 0 0 378.881 4.012 40 0 GIABRN COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc(OC)c1OC ZINC000214638831 570574354 /nfs/dbraw/zinc/57/43/54/570574354.db2.gz MJKUGYFBHJVSLB-WOJGMQOQSA-N 0 0 399.468 4.257 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000225442416 570574612 /nfs/dbraw/zinc/57/46/12/570574612.db2.gz MXZOORDQWFKSMP-HSZRJFAPSA-N 0 0 394.559 4.304 40 0 GIABRN CC(C)Cc1cc(C(=O)O[C@H](C)C(=O)NC2CCCCC2)c2ccccc2n1 ZINC000001361201 570576157 /nfs/dbraw/zinc/57/61/57/570576157.db2.gz DVEMTIYWSTUCCI-MRXNPFEDSA-N 0 0 382.504 4.428 40 0 GIABRN CCCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccccn1 ZINC000001362620 570576786 /nfs/dbraw/zinc/57/67/86/570576786.db2.gz AYMKQJSZFZQKPV-UHFFFAOYSA-N 0 0 387.896 4.134 40 0 GIABRN CCCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nnc1-c1ccco1 ZINC000001364332 570578159 /nfs/dbraw/zinc/57/81/59/570578159.db2.gz AKIOFHPEBQERHV-AWEZNQCLSA-N 0 0 382.489 4.018 40 0 GIABRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C ZINC000225475371 570578180 /nfs/dbraw/zinc/57/81/80/570578180.db2.gz UEESGFIPFNBROS-IBGZPJMESA-N 0 0 396.531 4.131 40 0 GIABRN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1ccc(F)cc1 ZINC000001364566 570578544 /nfs/dbraw/zinc/57/85/44/570578544.db2.gz NJPFDZXPJFXTLX-UHFFFAOYSA-N 0 0 382.464 4.074 40 0 GIABRN Cc1ccccc1CN(C(=O)CSCc1ccccc1)[C@@H](C)C(=O)NC(C)C ZINC000225477525 570578605 /nfs/dbraw/zinc/57/86/05/570578605.db2.gz LZAKIRHIHGSKNT-IBGZPJMESA-N 0 0 398.572 4.170 40 0 GIABRN O=C(NC1CCCCC1)[C@H](c1ccco1)N(C(=O)C(F)(F)F)c1ccccc1 ZINC000001366021 570578910 /nfs/dbraw/zinc/57/89/10/570578910.db2.gz FWQLVYACSVEWAJ-KRWDZBQOSA-N 0 0 394.393 4.365 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000225484326 570579054 /nfs/dbraw/zinc/57/90/54/570579054.db2.gz ONOGUAQYKAHTLA-KNQAVFIVSA-N 0 0 380.532 4.260 40 0 GIABRN Cc1ccc2c(c1)cc(CN(C(=O)c1ccccc1)C1CCCC1)c1nnnn12 ZINC000001376873 570581778 /nfs/dbraw/zinc/58/17/78/570581778.db2.gz KQBQFRJIHVAYRQ-UHFFFAOYSA-N 0 0 385.471 4.171 40 0 GIABRN COc1cc(CNC(=O)[C@H](C)Oc2cccc(Cl)c2)ccc1OC(C)C ZINC000038755960 570582162 /nfs/dbraw/zinc/58/21/62/570582162.db2.gz DMBBCHHOKJXVQX-AWEZNQCLSA-N 0 0 377.868 4.220 40 0 GIABRN CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225511875 570582276 /nfs/dbraw/zinc/58/22/76/570582276.db2.gz WRHXSIJBHFASOT-FQEVSTJZSA-N 0 0 394.559 4.432 40 0 GIABRN Cc1ccc(CN(C(=O)CSc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225516536 570582631 /nfs/dbraw/zinc/58/26/31/570582631.db2.gz ZVABLFLMRSCLJI-IBGZPJMESA-N 0 0 398.572 4.337 40 0 GIABRN COC(=O)c1cc(NC(=S)NCc2cccc(OC(C)C)c2)ccc1Cl ZINC000225524060 570583591 /nfs/dbraw/zinc/58/35/91/570583591.db2.gz RHLMATLHOBXUOJ-UHFFFAOYSA-N 0 0 392.908 4.400 40 0 GIABRN O=C(O[C@@H](C(=O)NCc1ccco1)c1ccc(Cl)cc1)c1cccs1 ZINC000001381232 570584062 /nfs/dbraw/zinc/58/40/62/570584062.db2.gz IMKQJKRVZIUETI-MRXNPFEDSA-N 0 0 375.833 4.209 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 ZINC000225554934 570587457 /nfs/dbraw/zinc/58/74/57/570587457.db2.gz OKSGSZKORGSLRZ-XMSQKQJNSA-N 0 0 398.522 4.399 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 ZINC000225554988 570587609 /nfs/dbraw/zinc/58/76/09/570587609.db2.gz OKSGSZKORGSLRZ-GCJKJVERSA-N 0 0 398.522 4.399 40 0 GIABRN CC(C)OCCCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038858600 570588417 /nfs/dbraw/zinc/58/84/17/570588417.db2.gz ITPVOPHDNXIFAK-MRXNPFEDSA-N 0 0 387.351 4.137 40 0 GIABRN O=C(C[C@@H]1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1cccc2ccccc21 ZINC000039964156 570594461 /nfs/dbraw/zinc/59/44/61/570594461.db2.gz UCMSSBSHHPXORU-OAQYLSRUSA-N 0 0 396.450 4.268 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)NCCCOC2CCCC2)cc1Cl ZINC000225620430 570595167 /nfs/dbraw/zinc/59/51/67/570595167.db2.gz XWCTVFRYXFVLNW-UHFFFAOYSA-N 0 0 384.929 4.152 40 0 GIABRN COc1ccc(CC(=O)Nc2nnc(SCc3ccccc3)s2)cc1C ZINC000225620759 570595305 /nfs/dbraw/zinc/59/53/05/570595305.db2.gz WPIUEBKKTYMCQC-UHFFFAOYSA-N 0 0 385.514 4.329 40 0 GIABRN CC[C@@H](NC(=O)Cc1cccc(Br)c1)c1ccc(OC)c(OC)c1 ZINC000225622225 570595310 /nfs/dbraw/zinc/59/53/10/570595310.db2.gz IJOZRPHCDKFGTD-MRXNPFEDSA-N 0 0 392.293 4.276 40 0 GIABRN CCOc1ccc(CCCNC(=S)Nc2cccc(N3CCCC3=O)c2)cc1 ZINC000225623282 570595726 /nfs/dbraw/zinc/59/57/26/570595726.db2.gz DOHVJQXCBZZFOH-UHFFFAOYSA-N 0 0 397.544 4.131 40 0 GIABRN COc1ccc(C(=O)Nc2ccc(I)cc2)cc1Cl ZINC000040114229 570595951 /nfs/dbraw/zinc/59/59/51/570595951.db2.gz UVJIZRKQLVMADL-UHFFFAOYSA-N 0 0 387.604 4.206 40 0 GIABRN Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000225638203 570596682 /nfs/dbraw/zinc/59/66/82/570596682.db2.gz WEVLYVCWWAOMTB-KRWDZBQOSA-N 0 0 397.544 4.184 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)N[C@H](C)COc2ccccc2C)c(C)c1 ZINC000225637678 570597042 /nfs/dbraw/zinc/59/70/42/570597042.db2.gz LTBGFLQJKQOROR-MRXNPFEDSA-N 0 0 386.517 4.234 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)N[C@@H](C)COc2ccc(C)cc2)c(C)c1 ZINC000225642432 570597199 /nfs/dbraw/zinc/59/71/99/570597199.db2.gz LQOTXCFLOYZMSS-INIZCTEOSA-N 0 0 386.517 4.234 40 0 GIABRN O=c1[nH]c(N2CCC(Cc3ccccc3)CC2)nc2nccc(-c3ccco3)c12 ZINC000040373010 570598656 /nfs/dbraw/zinc/59/86/56/570598656.db2.gz ODXKGBZKGLZERS-UHFFFAOYSA-N 0 0 386.455 4.037 40 0 GIABRN CCc1ccc(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000225660164 570599268 /nfs/dbraw/zinc/59/92/68/570599268.db2.gz HMSGYBPPNZHMNI-UHFFFAOYSA-N 0 0 376.422 4.159 40 0 GIABRN CCc1nn2c(nnc3c2ccn(Cc2ccc(C)cc2)c3=O)c1-c1ccccc1 ZINC000040388331 570599367 /nfs/dbraw/zinc/59/93/67/570599367.db2.gz HGEDTPPIOQSZDX-UHFFFAOYSA-N 0 0 395.466 4.025 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 ZINC000225667564 570600542 /nfs/dbraw/zinc/60/05/42/570600542.db2.gz CKFMKXKPHDUFPX-GCJKJVERSA-N 0 0 398.522 4.399 40 0 GIABRN COc1cc(C)c(C(=O)NCc2nc(-c3ccccc3C)no2)cc1C(C)C ZINC000225670389 570600963 /nfs/dbraw/zinc/60/09/63/570600963.db2.gz ZQTNLXAHANEFRY-UHFFFAOYSA-N 0 0 379.460 4.415 40 0 GIABRN CCn1c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2sc1=O ZINC000225687036 570603229 /nfs/dbraw/zinc/60/32/29/570603229.db2.gz INQRVUJPUNWJQS-UHFFFAOYSA-N 0 0 384.482 4.037 40 0 GIABRN CCc1cccc(CC)c1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC ZINC000225690440 570603643 /nfs/dbraw/zinc/60/36/43/570603643.db2.gz DVKITAHHDNPNMY-UHFFFAOYSA-N 0 0 390.530 4.009 40 0 GIABRN Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000029768463 570606521 /nfs/dbraw/zinc/60/65/21/570606521.db2.gz HYFHJNDZILAAKK-DLBZAZTESA-N 0 0 398.528 4.023 40 0 GIABRN COc1ccccc1CNc1ncc(-c2nccn2C)c(-c2cccs2)n1 ZINC000012087742 570606801 /nfs/dbraw/zinc/60/68/01/570606801.db2.gz OINQNJVFSQEOHR-UHFFFAOYSA-N 0 0 377.473 4.226 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)COc1ccccc1OC ZINC000225714692 570607539 /nfs/dbraw/zinc/60/75/39/570607539.db2.gz XKNFDRWHKDTTLM-UTKZUKDTSA-N 0 0 397.515 4.315 40 0 GIABRN CCc1cccc(C)c1NC(=O)Cn1ccc(=O)c2cc(Br)ccc21 ZINC000225727404 570609757 /nfs/dbraw/zinc/60/97/57/570609757.db2.gz TZLBBHYSBMVRBU-UHFFFAOYSA-N 0 0 399.288 4.274 40 0 GIABRN Cc1cc(C)c(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)c(C)c1 ZINC000225731130 570610278 /nfs/dbraw/zinc/61/02/78/570610278.db2.gz OMTMJTSNZBORNK-UHFFFAOYSA-N 0 0 399.288 4.328 40 0 GIABRN CCOc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1Cl ZINC000225732690 570610746 /nfs/dbraw/zinc/61/07/46/570610746.db2.gz KBXVSMMRXVUWBK-UHFFFAOYSA-N 0 0 379.287 4.355 40 0 GIABRN Cc1cccc(C)c1NC(=O)Cn1ccc(=O)c2ccc(Br)cc21 ZINC000225738786 570611426 /nfs/dbraw/zinc/61/14/26/570611426.db2.gz JJGLQFLBPCLEPC-UHFFFAOYSA-N 0 0 385.261 4.020 40 0 GIABRN CCc1ccc(OCC(=O)Nc2ccc(OC)c(OC)c2)c(Br)c1 ZINC000040942649 570614596 /nfs/dbraw/zinc/61/45/96/570614596.db2.gz BXOVKFJMSRDPCP-UHFFFAOYSA-N 0 0 394.265 4.046 40 0 GIABRN O=C(CSc1ccc(Cl)cc1)NCC1(c2ccccc2)CCOCC1 ZINC000041407699 570616872 /nfs/dbraw/zinc/61/68/72/570616872.db2.gz URNMNKYDAXYPJS-UHFFFAOYSA-N 0 0 375.921 4.297 40 0 GIABRN COc1ccc(NC(=S)N[C@H](C)COc2ccccc2OC)cc1Cl ZINC000225786233 570617220 /nfs/dbraw/zinc/61/72/20/570617220.db2.gz FXXNCWBAIDFLAX-GFCCVEGCSA-N 0 0 380.897 4.111 40 0 GIABRN CCCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1C(=O)OCC ZINC000225783696 570617324 /nfs/dbraw/zinc/61/73/24/570617324.db2.gz LAWWHZIVVQRLLW-UHFFFAOYSA-N 0 0 382.671 4.351 40 0 GIABRN O=C(CCc1nc(-c2cccc(F)c2)no1)N1CCC(Cc2ccccc2)CC1 ZINC000225800751 570618696 /nfs/dbraw/zinc/61/86/96/570618696.db2.gz YSPWBWLBLZZHBI-UHFFFAOYSA-N 0 0 393.462 4.290 40 0 GIABRN CCCCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cccnc1 ZINC000004161405 570620113 /nfs/dbraw/zinc/62/01/13/570620113.db2.gz HVBKATCPJGXKAD-UHFFFAOYSA-N 0 0 381.505 4.179 40 0 GIABRN Cc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1N1CCCC1=O ZINC000225813942 570620737 /nfs/dbraw/zinc/62/07/37/570620737.db2.gz SNBPDUBBCOXIMG-UHFFFAOYSA-N 0 0 392.377 4.158 40 0 GIABRN COc1ccc(CCNc2ncc(-c3cc(C)no3)c(C(C)C)n2)cc1OC ZINC000012186862 570621338 /nfs/dbraw/zinc/62/13/38/570621338.db2.gz GQHHNVYZCHKGBZ-UHFFFAOYSA-N 0 0 382.464 4.235 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@](C)(CC(C)C)OCC)ccc1OC(C)C ZINC000225818858 570621551 /nfs/dbraw/zinc/62/15/51/570621551.db2.gz FHYXYKORQUTNJD-NRFANRHFSA-N 0 0 379.497 4.430 40 0 GIABRN COc1ccc2cnc([C@H]3CCCN(C(=O)c4scnc4C)C3)cc2c1C ZINC000012187934 570621718 /nfs/dbraw/zinc/62/17/18/570621718.db2.gz IHWNSCACSUTILO-INIZCTEOSA-N 0 0 381.501 4.337 40 0 GIABRN CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC)c(C(=O)OC)c1 ZINC000225823187 570621886 /nfs/dbraw/zinc/62/18/86/570621886.db2.gz BUJPYZXAEVLRIZ-UHFFFAOYSA-N 0 0 379.497 4.288 40 0 GIABRN CCOC1(C(=O)Nc2ccc(OC(C)C)c(C(=O)OC)c2)CCCCCC1 ZINC000225830464 570622948 /nfs/dbraw/zinc/62/29/48/570622948.db2.gz HXLKMQITKOWAEP-UHFFFAOYSA-N 0 0 377.481 4.328 40 0 GIABRN CCOc1ccc(-c2noc(CNC(=S)Nc3cc(C)cc(C)c3)n2)cc1 ZINC000225829737 570623032 /nfs/dbraw/zinc/62/30/32/570623032.db2.gz FLWHRUIUVXQUEQ-UHFFFAOYSA-N 0 0 382.489 4.239 40 0 GIABRN CCOc1ccc(-c2noc(CNC(=S)Nc3ccc(C)c(C)c3)n2)cc1 ZINC000225829753 570623161 /nfs/dbraw/zinc/62/31/61/570623161.db2.gz AWUXDBAUKJCHFL-UHFFFAOYSA-N 0 0 382.489 4.239 40 0 GIABRN CN(C(=O)c1cccc(NC(=O)c2cnc(C(C)(C)C)nc2)c1)C1CCCCC1 ZINC000012196428 570623251 /nfs/dbraw/zinc/62/32/51/570623251.db2.gz VDAMQJSPZKRAMU-UHFFFAOYSA-N 0 0 394.519 4.431 40 0 GIABRN CC(=O)Nc1ccc(C(=O)CSc2nc(C3CC3)nc3ccccc32)cc1 ZINC000004217274 570623344 /nfs/dbraw/zinc/62/33/44/570623344.db2.gz RXPOHTLVUNHBNV-UHFFFAOYSA-N 0 0 377.469 4.441 40 0 GIABRN CCOC1(C(=O)Nc2ccc(OC(C)C)c(C(=O)OC)c2)CCC(C)CC1 ZINC000225834269 570623988 /nfs/dbraw/zinc/62/39/88/570623988.db2.gz MXGYCGFOAQJCCD-UHFFFAOYSA-N 0 0 377.481 4.184 40 0 GIABRN CCOc1ccc2[nH]c(C(=O)Nc3ccc4c(c3)C[C@H](C)N4C(C)=O)c(C)c2c1 ZINC000012204599 570625657 /nfs/dbraw/zinc/62/56/57/570625657.db2.gz RYBXIDAMWDJRSE-ZDUSSCGKSA-N 0 0 391.471 4.425 40 0 GIABRN CC1(C)Oc2ccc(C(=O)c3ccco3)cc2N(Cc2ccccc2F)C1=O ZINC000012220925 570627713 /nfs/dbraw/zinc/62/77/13/570627713.db2.gz HJXCPESFBWUNPG-UHFFFAOYSA-N 0 0 379.387 4.354 40 0 GIABRN Cc1ccc(CCCNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1 ZINC000225863054 570628331 /nfs/dbraw/zinc/62/83/31/570628331.db2.gz SBPANPIQIMSSKL-XLNRJJMWSA-N 0 0 388.467 4.108 40 0 GIABRN O=C(Nc1ccccc1Cl)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC000004601190 570631332 /nfs/dbraw/zinc/63/13/32/570631332.db2.gz OMIVLKCMMAFMQF-CPNJWEJPSA-N 0 0 377.831 4.145 40 0 GIABRN C[C@H]1C[C@H](C)CN(c2cc(C(F)(F)F)nc(NC(=S)NC(C)(C)C)n2)C1 ZINC000225896470 570631688 /nfs/dbraw/zinc/63/16/88/570631688.db2.gz PGEIESZWKJBQBZ-QWRGUYRKSA-N 0 0 389.491 4.063 40 0 GIABRN O[C@@H](CN1CCC(O)(c2ccccc2F)CC1)c1ccc(Cl)c(Cl)c1 ZINC000012292330 570633306 /nfs/dbraw/zinc/63/33/06/570633306.db2.gz IBIKAIXVESKYGX-SFHVURJKSA-N 0 0 384.278 4.150 40 0 GIABRN Cc1nccn1-c1ccccc1CNC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000044840641 570634548 /nfs/dbraw/zinc/63/45/48/570634548.db2.gz JDKQHSXXAMGLAZ-UHFFFAOYSA-N 0 0 377.488 4.173 40 0 GIABRN CCOC(=O)c1cccc(NC(=O)CCc2ccc(OCC)c(OCC)c2)c1 ZINC000044847116 570635143 /nfs/dbraw/zinc/63/51/43/570635143.db2.gz MYERQRLELSRRDG-UHFFFAOYSA-N 0 0 385.460 4.232 40 0 GIABRN Cc1ccc(CNC(=S)Nc2nc(Cl)cc(N3CCC[C@@H](C)C3)n2)cc1 ZINC000225946528 570635437 /nfs/dbraw/zinc/63/54/37/570635437.db2.gz QTBUZCFBMYJXAA-CQSZACIVSA-N 0 0 389.956 4.161 40 0 GIABRN Cc1cc(N2Cc3ccccc3C2)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 ZINC000225963102 570636805 /nfs/dbraw/zinc/63/68/05/570636805.db2.gz ZUZLUBPPVDQZAF-INIZCTEOSA-N 0 0 389.528 4.353 40 0 GIABRN Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc(NC(=S)NCCCc2ccccc2)n1 ZINC000225966332 570637394 /nfs/dbraw/zinc/63/73/94/570637394.db2.gz CRIONQFZWDHJGO-IAGOWNOFSA-N 0 0 397.592 4.187 40 0 GIABRN COc1ccc(S[C@H](C)C(=O)NCc2ccc(OC(C)C)cc2)cc1OC ZINC000044880132 570638013 /nfs/dbraw/zinc/63/80/13/570638013.db2.gz SWMXIEONXSJEBT-OAHLLOKOSA-N 0 0 389.517 4.288 40 0 GIABRN COCCN(Cc1cc(C)n(C)c1C)C(=O)c1ccc2nc(Cl)sc2c1 ZINC000225985404 570638173 /nfs/dbraw/zinc/63/81/73/570638173.db2.gz LBFXSUVUYDODJM-UHFFFAOYSA-N 0 0 391.924 4.194 40 0 GIABRN CC1CCN(c2cc(Cl)nc(NC(=S)NC3CCCCCC3)n2)CC1 ZINC000226011284 570638702 /nfs/dbraw/zinc/63/87/02/570638702.db2.gz DWDNCNKXPVBTIJ-UHFFFAOYSA-N 0 0 381.977 4.376 40 0 GIABRN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3cccc(C)c3oc2=O)CC1 ZINC000226035423 570639061 /nfs/dbraw/zinc/63/90/61/570639061.db2.gz SLWXSYUDTAFSMK-UHFFFAOYSA-N 0 0 396.874 4.026 40 0 GIABRN CCOC(=O)c1cc(NC(=O)COc2ccc(Cl)c(C)c2)ccc1Cl ZINC000044904290 570641139 /nfs/dbraw/zinc/64/11/39/570641139.db2.gz YNRZHMXVVKNGQK-UHFFFAOYSA-N 0 0 382.243 4.496 40 0 GIABRN CNc1nc(-c2ccc(OC)c(NC(=O)c3cc(F)ccc3F)c2)cs1 ZINC000226096858 570641588 /nfs/dbraw/zinc/64/15/88/570641588.db2.gz MNFPFMLYMYCNDO-UHFFFAOYSA-N 0 0 375.400 4.391 40 0 GIABRN COc1ccc(CCC(=O)N(CC(C)C)c2nnc(-c3ccncc3)s2)cc1 ZINC000004881401 570642307 /nfs/dbraw/zinc/64/23/07/570642307.db2.gz CHNSPQPWGIBQAG-UHFFFAOYSA-N 0 0 396.516 4.231 40 0 GIABRN CCCCN(C(=O)CCc1ccccc1OC)c1nnc(-c2ccncc2)s1 ZINC000004881377 570642341 /nfs/dbraw/zinc/64/23/41/570642341.db2.gz IGKKANMPERBLBC-UHFFFAOYSA-N 0 0 396.516 4.375 40 0 GIABRN Cc1onc(-c2cccc(C)c2)c1C(=O)N1CCC(O)(c2cccc(C)c2)CC1 ZINC000012325300 570643187 /nfs/dbraw/zinc/64/31/87/570643187.db2.gz LSNPVOGXUYXBNN-UHFFFAOYSA-N 0 0 390.483 4.391 40 0 GIABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(Cn3ccnc3)cc2)cc1 ZINC000044937376 570644381 /nfs/dbraw/zinc/64/43/81/570644381.db2.gz FEOGDBKKRDVDRM-JOCHJYFZSA-N 0 0 377.488 4.457 40 0 GIABRN O=C(CSc1nc(C23CC4CC(CC(C4)C2)C3)nc2ccccc21)NC1CC1 ZINC000004936744 570644756 /nfs/dbraw/zinc/64/47/56/570644756.db2.gz SOMXNEOKLUQXGC-UHFFFAOYSA-N 0 0 393.556 4.468 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000044949385 570645257 /nfs/dbraw/zinc/64/52/57/570645257.db2.gz QCPIXFCSFJJCDI-JOCHJYFZSA-N 0 0 380.532 4.426 40 0 GIABRN O=C(Nc1ccc(C2CCCCC2)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000004907819 570647351 /nfs/dbraw/zinc/64/73/51/570647351.db2.gz OCTCBVIMDQIDET-UHFFFAOYSA-N 0 0 380.444 4.083 40 0 GIABRN CCCN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@H]1c1ccc(OC)c(OC)c1 ZINC000004909700 570648337 /nfs/dbraw/zinc/64/83/37/570648337.db2.gz BMYIYPUUYIPLSH-OAQYLSRUSA-N 0 0 395.434 4.188 40 0 GIABRN C[C@H]1Cc2ccccc2N1c1ncnc2c1nnn2Cc1ccccc1Cl ZINC000004922133 570648836 /nfs/dbraw/zinc/64/88/36/570648836.db2.gz YVRCNWKFMCSXLI-ZDUSSCGKSA-N 0 0 376.851 4.006 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)cc1 ZINC000059132902 570650263 /nfs/dbraw/zinc/65/02/63/570650263.db2.gz DUUXGMNEQXJIMK-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN COc1cc([C@@H]2NC(=O)c3ccccc3O2)ccc1OCCc1ccccc1 ZINC000004997925 570650566 /nfs/dbraw/zinc/65/05/66/570650566.db2.gz JSAMHPIBSHRWJV-HSZRJFAPSA-N 0 0 375.424 4.138 40 0 GIABRN Cc1cc(C)cc(N2C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)c1 ZINC000059227352 570652100 /nfs/dbraw/zinc/65/21/00/570652100.db2.gz BIOKCJWBCDAYNT-CQSZACIVSA-N 0 0 376.378 4.314 40 0 GIABRN Cc1ccc(-c2csc(NC(=O)CSCC(=O)Nc3ccccc3)n2)cc1 ZINC000059271678 570652930 /nfs/dbraw/zinc/65/29/30/570652930.db2.gz HRRBLYHXNNIBDA-UHFFFAOYSA-N 0 0 397.525 4.429 40 0 GIABRN Cc1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 ZINC000047156182 570653159 /nfs/dbraw/zinc/65/31/59/570653159.db2.gz MPYXAATZUFZPEC-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN Cc1ccc(O)c(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)c1 ZINC000059294623 570653539 /nfs/dbraw/zinc/65/35/39/570653539.db2.gz FXFLHXIIGOZQGM-FMIVXFBMSA-N 0 0 378.453 4.487 40 0 GIABRN CC(C)CNC(=S)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000004967131 570654243 /nfs/dbraw/zinc/65/42/43/570654243.db2.gz RQJOQECENSPTND-UHFFFAOYSA-N 0 0 394.997 4.116 40 0 GIABRN CN(C)S(=O)(=O)c1ccc2nc(SCc3ccc(Cl)cc3)sc2c1 ZINC000059417624 570655985 /nfs/dbraw/zinc/65/59/85/570655985.db2.gz LIIUVAHPPDNHHM-UHFFFAOYSA-N 0 0 398.962 4.492 40 0 GIABRN COc1ccccc1NC(=O)NC1(C(=O)N2C[C@H](C)C[C@@H](C)C2)CCCCC1 ZINC000004981979 570656310 /nfs/dbraw/zinc/65/63/10/570656310.db2.gz KOUBUACVEKPXEJ-IAGOWNOFSA-N 0 0 387.524 4.024 40 0 GIABRN O=C(Oc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1)c1ccccc1 ZINC000059958985 570660519 /nfs/dbraw/zinc/66/05/19/570660519.db2.gz ZCURCJVHYHTSOX-ZHZULCJRSA-N 0 0 387.366 4.389 40 0 GIABRN CC(=O)O[C@@]1(C(C)=O)C[C@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12 ZINC000005712675 570664721 /nfs/dbraw/zinc/66/47/21/570664721.db2.gz ADKUELIPIQGUGR-CYXNTTPDSA-N 0 0 398.458 4.499 40 0 GIABRN O[C@H](COc1ccccc1F)Cn1c(Cc2ccccc2)nc2ccccc21 ZINC000006383054 570669002 /nfs/dbraw/zinc/66/90/02/570669002.db2.gz ZHFZAAPQNRULJI-SFHVURJKSA-N 0 0 376.431 4.206 40 0 GIABRN Cn1c(SCc2ccccc2)nnc1[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000006234750 570669047 /nfs/dbraw/zinc/66/90/47/570669047.db2.gz ZPPXRBZWDKGTHU-GOSISDBHSA-N 0 0 393.516 4.476 40 0 GIABRN Fc1ccc2c(c1)C(c1ccncc1)=NNC(c1ccc(Br)cc1)=N2 ZINC000006444801 570670776 /nfs/dbraw/zinc/67/07/76/570670776.db2.gz ZALYGKFXMDETAP-UHFFFAOYSA-N 0 0 395.235 4.417 40 0 GIABRN COc1cccc([C@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)c1 ZINC000006678925 570673206 /nfs/dbraw/zinc/67/32/06/570673206.db2.gz DZMWITBXMIBFAR-AUUYWEPGSA-N 0 0 379.485 4.353 40 0 GIABRN CCCc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC(S(=O)(=O)c2ccccc2)C3)cc1 ZINC000096104146 570673199 /nfs/dbraw/zinc/67/31/99/570673199.db2.gz LXUURPJFSCMILP-RLAPIPATSA-N 0 0 397.540 4.249 40 0 GIABRN COc1ccc(C2=Nc3ccc(OC)cc3C(c3ccc(F)cc3)=NN2)cc1 ZINC000006973411 570676912 /nfs/dbraw/zinc/67/69/12/570676912.db2.gz JUVNKRDVSHLAMC-UHFFFAOYSA-N 0 0 375.403 4.277 40 0 GIABRN CCOC(=O)C1=C(C)N=C2SC=C(CC)N2[C@H]1c1ccc(OC)cc1OC ZINC000408990864 570689776 /nfs/dbraw/zinc/68/97/76/570689776.db2.gz OPFSPNJMGDEXKA-SFHVURJKSA-N 0 0 388.489 4.252 40 0 GIABRN Cc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1CC(C)C ZINC000409103242 570699401 /nfs/dbraw/zinc/69/94/01/570699401.db2.gz GBUZASLMESDAHZ-UHFFFAOYSA-N 0 0 381.505 4.035 40 0 GIABRN CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)ccc1OC ZINC000260772122 570704820 /nfs/dbraw/zinc/70/48/20/570704820.db2.gz MLWLBRJNQJIOPL-RYGJVYDSSA-N 0 0 383.517 4.468 40 0 GIABRN COCCn1c(C)c(C)c([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C ZINC000260781509 570705556 /nfs/dbraw/zinc/70/55/56/570705556.db2.gz SVNXKYFPMAQUBX-SMHULIPUSA-N 0 0 384.549 4.044 40 0 GIABRN CS(=O)(=O)Nc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1Cl ZINC000158885780 570707100 /nfs/dbraw/zinc/70/71/00/570707100.db2.gz YJNNLCJBKYABPW-UHFFFAOYSA-N 0 0 393.679 4.271 40 0 GIABRN CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2cccc(Br)c2)CC1 ZINC000255190289 570731439 /nfs/dbraw/zinc/73/14/39/570731439.db2.gz WEQADRHWUUVPOK-SHTZXODSSA-N 0 0 397.313 4.015 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1Cl ZINC000005260267 570731569 /nfs/dbraw/zinc/73/15/69/570731569.db2.gz USOVQDUOLQKBFC-UHFFFAOYSA-N 0 0 386.860 4.393 40 0 GIABRN COC(=O)c1c(NC(=O)CCSc2ccc(C)cc2)sc2c1CCC2 ZINC000005191332 570731607 /nfs/dbraw/zinc/73/16/07/570731607.db2.gz XRPHDISOHOFIHX-UHFFFAOYSA-N 0 0 375.515 4.453 40 0 GIABRN CCc1cccc(C)c1NC(=O)CSc1nnc(C)n1-c1cccc(C)c1 ZINC000005358223 570732617 /nfs/dbraw/zinc/73/26/17/570732617.db2.gz AEANNWIGYDGLFK-UHFFFAOYSA-N 0 0 380.517 4.486 40 0 GIABRN CCc1ccc(N2C[C@H](C(=O)Nc3cccc(Br)c3)CC2=O)cc1 ZINC000005477285 570733413 /nfs/dbraw/zinc/73/34/13/570733413.db2.gz XCDNAWJCQAJPSR-CQSZACIVSA-N 0 0 387.277 4.003 40 0 GIABRN COc1cccc(OC)c1C(=O)Nc1c2c(nn1-c1cccc(C)c1)CSC2 ZINC000004079158 570741370 /nfs/dbraw/zinc/74/13/70/570741370.db2.gz JEQPQKIIZFGXLG-UHFFFAOYSA-N 0 0 395.484 4.197 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)Cn2cc(C(=O)C(C)C)c3ccccc32)cc1 ZINC000006327662 570742882 /nfs/dbraw/zinc/74/28/82/570742882.db2.gz BAHDLTAMAYKOIO-UHFFFAOYSA-N 0 0 392.455 4.295 40 0 GIABRN Cc1cccc(OCC(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000006860451 570752211 /nfs/dbraw/zinc/75/22/11/570752211.db2.gz RMSFPZJJAQEQDB-UHFFFAOYSA-N 0 0 391.905 4.150 40 0 GIABRN CCOc1cccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 ZINC000006964819 570754047 /nfs/dbraw/zinc/75/40/47/570754047.db2.gz CBULYTUGWAKPEA-UHFFFAOYSA-N 0 0 386.407 4.138 40 0 GIABRN Cc1ccc(O[C@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000007495670 570759674 /nfs/dbraw/zinc/75/96/74/570759674.db2.gz DCJNHOFCTPYTAW-MRXNPFEDSA-N 0 0 392.421 4.130 40 0 GIABRN COc1ccc(CCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OC ZINC000007525793 570760352 /nfs/dbraw/zinc/76/03/52/570760352.db2.gz ZXEFSAYMHYJOPW-INIZCTEOSA-N 0 0 385.504 4.128 40 0 GIABRN CC(=O)c1cccc(NC(=O)CSc2n[nH]c(-c3ccc(Cl)cc3)n2)c1 ZINC000007604640 570761429 /nfs/dbraw/zinc/76/14/29/570761429.db2.gz RJGBBISMDVKHPV-UHFFFAOYSA-N 0 0 386.864 4.059 40 0 GIABRN CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(CC)cc4)c3)nn12 ZINC000008071475 570764467 /nfs/dbraw/zinc/76/44/67/570764467.db2.gz JIIRXEVFRIFWKP-UHFFFAOYSA-N 0 0 377.473 4.230 40 0 GIABRN COc1ccc(OC)c(C[C@H]2SC(=O)N(c3ccccc3Cl)C2=O)c1 ZINC000008114532 570766852 /nfs/dbraw/zinc/76/68/52/570766852.db2.gz XPHGRDLKILNIOR-MRXNPFEDSA-N 0 0 377.849 4.168 40 0 GIABRN Cc1cc(Br)cc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000008336030 570768104 /nfs/dbraw/zinc/76/81/04/570768104.db2.gz NBXBGHZYXBGERI-AWEZNQCLSA-N 0 0 387.277 4.058 40 0 GIABRN Cc1cc(Br)cc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000008336027 570768150 /nfs/dbraw/zinc/76/81/50/570768150.db2.gz NBXBGHZYXBGERI-CQSZACIVSA-N 0 0 387.277 4.058 40 0 GIABRN O=C(CCc1nc(-c2ccccc2Cl)no1)NCc1ccccc1Cl ZINC000169890436 570786481 /nfs/dbraw/zinc/78/64/81/570786481.db2.gz YLKAHBZWRMBOGO-UHFFFAOYSA-N 0 0 376.243 4.292 40 0 GIABRN O=c1c2ccccc2n(Cc2cccc3ccccc32)c(=O)n1-c1ccccc1 ZINC000010338748 570788824 /nfs/dbraw/zinc/78/88/24/570788824.db2.gz FMNFWUQABPDDHP-UHFFFAOYSA-N 0 0 378.431 4.354 40 0 GIABRN Cc1ccc(C)c(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 ZINC000010337918 570788872 /nfs/dbraw/zinc/78/88/72/570788872.db2.gz YHPJACJKPJOGCZ-HNNXBMFYSA-N 0 0 394.924 4.058 40 0 GIABRN COc1ccc([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC ZINC000014220386 570830999 /nfs/dbraw/zinc/83/09/99/570830999.db2.gz UGVCRYSIKVNQCC-SNVBAGLBSA-N 0 0 390.288 4.050 40 0 GIABRN Clc1cccc(Cl)c1CN(CCCN1CCOCC1)Cc1cccnc1 ZINC000013569043 570850757 /nfs/dbraw/zinc/85/07/57/570850757.db2.gz CLDGNUPWGVVKDK-UHFFFAOYSA-N 0 0 394.346 4.113 40 0 GIABRN C[C@@]12C(=O)N(c3ccccc3)C(=O)[C@@H]1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000013596764 570853332 /nfs/dbraw/zinc/85/33/32/570853332.db2.gz OCVIWFTWHXETLP-DPLHUUCSSA-N 0 0 384.435 4.128 40 0 GIABRN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2F)cc1 ZINC000013769709 570863953 /nfs/dbraw/zinc/86/39/53/570863953.db2.gz PZJAICDTVUSXJY-UNWVZKJWSA-N 0 0 383.463 4.343 40 0 GIABRN CC(C)OCCCN(Cc1ccncc1)Cc1cc2c(cc1Cl)OCO2 ZINC000013989549 570868391 /nfs/dbraw/zinc/86/83/91/570868391.db2.gz VHFQIVCEYRNSPG-UHFFFAOYSA-N 0 0 376.884 4.281 40 0 GIABRN COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000014006584 570875122 /nfs/dbraw/zinc/87/51/22/570875122.db2.gz DJZUTEJPTRVOGS-KRWDZBQOSA-N 0 0 396.487 4.117 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc(Cl)c1 ZINC000014004892 570875276 /nfs/dbraw/zinc/87/52/76/570875276.db2.gz ODHKYDYYBAOYBU-UHFFFAOYSA-N 0 0 392.908 4.157 40 0 GIABRN Cc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)nc2c1CCCC2 ZINC000014152336 570877707 /nfs/dbraw/zinc/87/77/07/570877707.db2.gz AOJZLYOAQNSUCI-UHFFFAOYSA-N 0 0 381.423 4.413 40 0 GIABRN CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000014398229 570883528 /nfs/dbraw/zinc/88/35/28/570883528.db2.gz LEGUWMIGMNSFGS-UHFFFAOYSA-N 0 0 379.504 4.315 40 0 GIABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Br)cc1F ZINC000014399683 570884432 /nfs/dbraw/zinc/88/44/32/570884432.db2.gz KMOWJZSCXNNIJR-MRXNPFEDSA-N 0 0 382.229 4.393 40 0 GIABRN O=C(CSc1nc(=O)c2ccsc2[nH]1)Nc1cc(Cl)cc(Cl)c1 ZINC000016543418 570888455 /nfs/dbraw/zinc/88/84/55/570888455.db2.gz XKGKBZWAXBGTJP-UHFFFAOYSA-N 0 0 386.285 4.022 40 0 GIABRN C[C@H]1CC(C)(C)N2C(=O)[C@]3(SCC(=O)N3c3ccc(F)cc3)c3cccc1c32 ZINC000014671884 570894401 /nfs/dbraw/zinc/89/44/01/570894401.db2.gz ZLJIUTXQPFJWNO-WHEQGISXSA-N 0 0 396.487 4.391 40 0 GIABRN CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C3CC3)CC2)n1 ZINC000257296372 570904087 /nfs/dbraw/zinc/90/40/87/570904087.db2.gz RCOAELAFBINILL-SAABIXHNSA-N 0 0 378.520 4.462 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3F)ccc2C)cc1 ZINC000015422194 570906405 /nfs/dbraw/zinc/90/64/05/570906405.db2.gz RUTRZWRIWJFVTQ-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN Clc1ccc(Nc2nc3nonc3nc2NCc2ccco2)cc1Cl ZINC000038252678 570911707 /nfs/dbraw/zinc/91/17/07/570911707.db2.gz DRBCUTAPUTUXGT-UHFFFAOYSA-N 0 0 377.191 4.268 40 0 GIABRN COc1ccc([C@H]2CC(c3ccccc3)=Nc3nc(SC)nn32)cc1OC ZINC000017077797 570916957 /nfs/dbraw/zinc/91/69/57/570916957.db2.gz BRGRHDRTLIZTGY-MRXNPFEDSA-N 0 0 380.473 4.073 40 0 GIABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000017080382 570918585 /nfs/dbraw/zinc/91/85/85/570918585.db2.gz AIVRPEATSJHZJH-UHFFFAOYSA-N 0 0 393.468 4.276 40 0 GIABRN CC(=O)OCC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000118934746 570921133 /nfs/dbraw/zinc/92/11/33/570921133.db2.gz LGXCVDCRXUSHST-VFTPEDAPSA-N 0 0 390.520 4.073 40 0 GIABRN C[C@H](Oc1cccc2ccccc21)C(=O)NCc1nc(-c2cccs2)no1 ZINC000194167778 570943021 /nfs/dbraw/zinc/94/30/21/570943021.db2.gz NLBRINZLJSCOPT-ZDUSSCGKSA-N 0 0 379.441 4.035 40 0 GIABRN Cc1cc(C)cc(C(=O)N[C@H]2CCCn3cnc(-c4ccc(N(C)C)cc4)c32)c1 ZINC000585110686 570944213 /nfs/dbraw/zinc/94/42/13/570944213.db2.gz QYCWJQAAVLERNX-NRFANRHFSA-N 0 0 388.515 4.498 40 0 GIABRN O=C(CCc1cccc(C(F)(F)F)c1F)c1ccc(N2CCOCC2)cc1 ZINC000228925778 570951462 /nfs/dbraw/zinc/95/14/62/570951462.db2.gz DMZQSBWNONBGJY-UHFFFAOYSA-N 0 0 381.369 4.497 40 0 GIABRN CC1(C)CC(=O)C2=C(c3cc(C(F)(F)F)ccc3C(F)(F)F)NN[C@@H]2C1 ZINC000228934944 570952159 /nfs/dbraw/zinc/95/21/59/570952159.db2.gz HKFUEVHXFSMLSS-DGCLKSJQSA-N 0 0 378.316 4.405 40 0 GIABRN O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(Br)cc1F ZINC000198451365 570965537 /nfs/dbraw/zinc/96/55/37/570965537.db2.gz LZXZTOBCVQAYFF-UHFFFAOYSA-N 0 0 396.241 4.271 40 0 GIABRN CC1=C(C(=O)O[C@H]2CCC[C@H]2C)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000004066650 570965926 /nfs/dbraw/zinc/96/59/26/570965926.db2.gz KRJPCGDXFZRYNL-WKFLNTIRSA-N 0 0 383.275 4.353 40 0 GIABRN C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000004287801 570970039 /nfs/dbraw/zinc/97/00/39/570970039.db2.gz JTDBKCACGGYRPG-IOASZLSFSA-N 0 0 392.956 4.311 40 0 GIABRN C[C@@]12C(=O)N(c3ccccc3)C(=O)[C@H]1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000004545835 570978074 /nfs/dbraw/zinc/97/80/74/570978074.db2.gz OCVIWFTWHXETLP-LGVFNWMJSA-N 0 0 384.435 4.128 40 0 GIABRN O=C(Cc1ccccc1)N1CCC(C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000242761019 570985916 /nfs/dbraw/zinc/98/59/16/570985916.db2.gz DMJXLIMPALGTKX-UHFFFAOYSA-N 0 0 391.298 4.413 40 0 GIABRN COc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000243184134 570986783 /nfs/dbraw/zinc/98/67/83/570986783.db2.gz JXXLLIJHLMMYFB-UHFFFAOYSA-N 0 0 386.879 4.148 40 0 GIABRN O=C(NCc1ccccc1Cl)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000243238290 570986797 /nfs/dbraw/zinc/98/67/97/570986797.db2.gz KNPGDWUCBLKHNR-ZDUSSCGKSA-N 0 0 396.796 4.028 40 0 GIABRN S=C(NCCCc1ccccc1)Nc1ccc(I)cc1 ZINC000243962675 570988553 /nfs/dbraw/zinc/98/85/53/570988553.db2.gz SBAWVWBYXMWMNJ-UHFFFAOYSA-N 0 0 396.297 4.210 40 0 GIABRN COc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)c1 ZINC000253448571 570990650 /nfs/dbraw/zinc/99/06/50/570990650.db2.gz OPHAECNYGJBEAY-UHFFFAOYSA-N 0 0 380.488 4.310 40 0 GIABRN Cc1nc2c(C)cccn2c1C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000019716779 571038705 /nfs/dbraw/zinc/03/87/05/571038705.db2.gz AGUPFNKTUOLNNB-SFHVURJKSA-N 0 0 391.471 4.090 40 0 GIABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2cccnc2)nc(NC(C)C)n1 ZINC000328968046 571048022 /nfs/dbraw/zinc/04/80/22/571048022.db2.gz CWZKSLSOWMYRPV-UHFFFAOYSA-N 0 0 387.409 4.274 40 0 GIABRN Cc1ccc(OS(=O)(=O)c2cccc(C(=O)Nc3ccccc3C)c2)cc1 ZINC000003012741 817410721 /nfs/dbraw/zinc/41/07/21/817410721.db2.gz NQKNVJCXOTVYDF-UHFFFAOYSA-N 0 0 381.453 4.323 40 0 GIABRN O=C(CSc1ccc([N+](=O)[O-])cn1)N1c2ccccc2S[C@H]2C=CC=C[C@@H]21 ZINC000006045724 817643621 /nfs/dbraw/zinc/64/36/21/817643621.db2.gz KWBTVALNOJZJRZ-HOCLYGCPSA-N 0 0 397.481 4.084 40 0 GIABRN CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCc1ccc(C)cc1 ZINC000006169113 817665531 /nfs/dbraw/zinc/66/55/31/817665531.db2.gz NVMXOYIKBCSYGV-UHFFFAOYSA-N 0 0 380.517 4.137 40 0 GIABRN COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccccc1F ZINC000006348350 817680983 /nfs/dbraw/zinc/68/09/83/817680983.db2.gz RPOMMGVCVLZMBR-BOPFTXTBSA-N 0 0 383.444 4.425 40 0 GIABRN CC1CCN(C(=S)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000006348779 817681635 /nfs/dbraw/zinc/68/16/35/817681635.db2.gz DXJXPUUVIMCORO-UHFFFAOYSA-N 0 0 386.492 4.251 40 0 GIABRN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)COCc1cc(-c3ccc(F)cc3)on1)C2 ZINC000006876418 817721004 /nfs/dbraw/zinc/72/10/04/817721004.db2.gz GODKQIZZFLFZQP-XMSQKQJNSA-N 0 0 386.467 4.425 40 0 GIABRN CCC[C@@H](C)NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000006945641 817727875 /nfs/dbraw/zinc/72/78/75/817727875.db2.gz NGKKZNILSXEUHD-UZUQRXQVSA-N 0 0 396.556 4.422 40 0 GIABRN CCOc1ccc(NC(=O)COc2ccc(C(=S)N3CCCCC3)cc2)cc1 ZINC000006963066 817729814 /nfs/dbraw/zinc/72/98/14/817729814.db2.gz DOLSYBIGQICERU-UHFFFAOYSA-N 0 0 398.528 4.264 40 0 GIABRN Cc1cccc(CN2C(=O)N/C(=C/c3cccn3-c3cccc(C)c3C)C2=O)c1 ZINC000006967280 817730816 /nfs/dbraw/zinc/73/08/16/817730816.db2.gz RPXOKNNFWIXSAV-KGENOOAVSA-N 0 0 385.467 4.495 40 0 GIABRN CCc1ccc(C(=O)COC(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1 ZINC000007169608 817778996 /nfs/dbraw/zinc/77/89/96/817778996.db2.gz OQTGTSDVCGBRAK-UHFFFAOYSA-N 0 0 399.450 4.082 40 0 GIABRN COc1ccccc1N1CCN(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000007504836 817857017 /nfs/dbraw/zinc/85/70/17/817857017.db2.gz CQZDIRUCBPTHKB-SFHVURJKSA-N 0 0 396.531 4.109 40 0 GIABRN O=C(NCc1ccco1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000007604391 817877871 /nfs/dbraw/zinc/87/78/71/817877871.db2.gz WNRDKZKCWSJUIB-UHFFFAOYSA-N 0 0 378.815 4.352 40 0 GIABRN Cc1ccc(C)c(OC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 ZINC000007928830 817962295 /nfs/dbraw/zinc/96/22/95/817962295.db2.gz MWNNLFSSJBOOPI-AWEZNQCLSA-N 0 0 388.261 4.024 40 0 GIABRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)c(C)c1 ZINC000008049144 817989314 /nfs/dbraw/zinc/98/93/14/817989314.db2.gz NLMOCBZQCRLQRG-KRWDZBQOSA-N 0 0 392.455 4.232 40 0 GIABRN CCc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])C(C(=O)OC)=C2C)cc1 ZINC000008085680 817996417 /nfs/dbraw/zinc/99/64/17/817996417.db2.gz CIDTYAWZWRNCCI-AQTBWJFISA-N 0 0 392.411 4.034 40 0 GIABRN CCc1ccc(N(CC(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)cc1 ZINC000008085529 817996443 /nfs/dbraw/zinc/99/64/43/817996443.db2.gz WPGVGWQRWGFGQJ-UHFFFAOYSA-N 0 0 388.533 4.086 40 0 GIABRN C[C@@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O ZINC000008221948 818019687 /nfs/dbraw/zinc/01/96/87/818019687.db2.gz GDPJSUUAVKRPTI-JPVKTXQWSA-N 0 0 394.496 4.277 40 0 GIABRN CCCNC(=O)c1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000016639516 818461834 /nfs/dbraw/zinc/46/18/34/818461834.db2.gz PNRRNTHUKGFWLB-UHFFFAOYSA-N 0 0 378.266 4.177 40 0 GIABRN COc1cc(C(=O)N2CCCC2)cc(Br)c1OCc1ccccc1 ZINC000017356186 818512072 /nfs/dbraw/zinc/51/20/72/818512072.db2.gz ROUWVODZUAQYEW-UHFFFAOYSA-N 0 0 390.277 4.273 40 0 GIABRN COc1cccc(-c2ccc([C@H]3CN(Cc4ccccc4F)CCO3)nc2)c1 ZINC000019692366 818598939 /nfs/dbraw/zinc/59/89/39/818598939.db2.gz FBYBSEKBVAQNKU-HSZRJFAPSA-N 0 0 378.447 4.470 40 0 GIABRN Cc1nnsc1C(=O)N1CCC[C@H]1c1cc(-c2ccc(F)cc2)cc(C)n1 ZINC000019691315 818598946 /nfs/dbraw/zinc/59/89/46/818598946.db2.gz XWAOIJUHFKIKNC-SFHVURJKSA-N 0 0 382.464 4.333 40 0 GIABRN Cc1nn(C)cc1CN1CCO[C@@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 ZINC000019692586 818599476 /nfs/dbraw/zinc/59/94/76/818599476.db2.gz CZCONXRCYHXJAL-OAQYLSRUSA-N 0 0 382.895 4.017 40 0 GIABRN O=C(CCc1ccc(Cl)cc1)Nc1cccc([C@H]2CCc3nncn3C2)c1 ZINC000019699103 818600146 /nfs/dbraw/zinc/60/01/46/818600146.db2.gz FDWUFGSMJCGLJP-KRWDZBQOSA-N 0 0 380.879 4.233 40 0 GIABRN CC(=O)N1CC[C@H]2[C@H]1CCCCCN2C(=O)c1ccccc1-c1ccccc1 ZINC000019712374 818602685 /nfs/dbraw/zinc/60/26/85/818602685.db2.gz NEDKEOJHEZALLO-PKTZIBPZSA-N 0 0 376.500 4.359 40 0 GIABRN Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1 ZINC000024606465 819855096 /nfs/dbraw/zinc/85/50/96/819855096.db2.gz COQZNLUNBKYJSX-NTEUORMPSA-N 0 0 388.208 4.145 40 0 GIABRN O=C(CCSc1ccccc1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000039536275 821110618 /nfs/dbraw/zinc/11/06/18/821110618.db2.gz KTJVGZMOWZCVLF-UHFFFAOYSA-N 0 0 380.469 4.331 40 0 GIABRN Cc1cc(C)n([C@H](C)CC(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)n1 ZINC000019573157 210267138 /nfs/dbraw/zinc/26/71/38/210267138.db2.gz IRZHSXUPNCUNRM-CQSZACIVSA-N 0 0 382.489 4.148 40 0 GIABRN Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)CC2CCCC2)c1C ZINC000019558377 210264310 /nfs/dbraw/zinc/26/43/10/210264310.db2.gz FHQBQZZDBDJZTN-GOSISDBHSA-N 0 0 397.523 4.058 40 0 GIABRN Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](c1cccs1)c1ccncc1 ZINC000019561033 210264109 /nfs/dbraw/zinc/26/41/09/210264109.db2.gz CNUYZUNRKPMGBA-KRWDZBQOSA-N 0 0 392.509 4.489 40 0 GIABRN Cc1noc(-c2cnc(C)nc2[C@H]2CCCN2C(=O)c2ccccc2F)c1C ZINC000019558516 210263382 /nfs/dbraw/zinc/26/33/82/210263382.db2.gz AXBWUSUGOMNKOI-GOSISDBHSA-N 0 0 380.423 4.173 40 0 GIABRN COc1ccc(CNc2c(-c3ccc(OC)c(OC)c3)nc3cnccn32)cc1 ZINC000019555897 210262056 /nfs/dbraw/zinc/26/20/56/210262056.db2.gz HNIGCSMSFLMAEM-UHFFFAOYSA-N 0 0 390.443 4.034 40 0 GIABRN CCn1nc2c(c1C(=O)N[C@H](c1ccncc1)c1ccc(C)c(C)c1)CCCC2 ZINC000019524106 210257348 /nfs/dbraw/zinc/25/73/48/210257348.db2.gz ZWWPFGJLCIXUSR-JOCHJYFZSA-N 0 0 388.515 4.313 40 0 GIABRN CCn1cc(CC(=O)Nc2ccc3c(c2)C[C@H](C)N3C(C)=O)c2ccccc21 ZINC000019524794 210256274 /nfs/dbraw/zinc/25/62/74/210256274.db2.gz AGJMNLUSOZIZOC-HNNXBMFYSA-N 0 0 375.472 4.140 40 0 GIABRN CCc1noc(C)c1C(=O)N1CCCC[C@H]1c1nc(C)ncc1-c1ccncc1 ZINC000019521235 210255579 /nfs/dbraw/zinc/25/55/79/210255579.db2.gz ZXYHTQLBBOTKAK-IBGZPJMESA-N 0 0 391.475 4.073 40 0 GIABRN CCc1onc(C)c1C(=O)N1CCC[C@H](c2nc(C)cc(-c3cccs3)n2)C1 ZINC000019521115 210255245 /nfs/dbraw/zinc/25/52/45/210255245.db2.gz JSXZQGXESMGQSP-HNNXBMFYSA-N 0 0 396.516 4.392 40 0 GIABRN CCCC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2F)(C(=O)NCC)C1 ZINC000019501068 210254407 /nfs/dbraw/zinc/25/44/07/210254407.db2.gz KLBCYORIYBCQTJ-DEOSSOPVSA-N 0 0 396.506 4.190 40 0 GIABRN CCC(=O)N1CCC[C@](Cc2ccccc2-c2cccs2)(C(=O)N(C)C)C1 ZINC000019498672 210253170 /nfs/dbraw/zinc/25/31/70/210253170.db2.gz HLGPAJNSIXUBAH-JOCHJYFZSA-N 0 0 384.545 4.065 40 0 GIABRN O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccccc1C(F)(F)F ZINC000014153114 230887672 /nfs/dbraw/zinc/88/76/72/230887672.db2.gz BEYSBTNYOBKXBE-UHFFFAOYSA-N 0 0 391.176 4.381 40 0 GIABRN C[C@@H](NC(=O)[C@@H](c1ccccc1)C1CCCCC1)c1nnc(-c2ccncc2)[nH]1 ZINC000019458028 210251289 /nfs/dbraw/zinc/25/12/89/210251289.db2.gz WDCBYMXYOZXSBE-UZLBHIALSA-N 0 0 389.503 4.408 40 0 GIABRN Cc1ccc2c(cccc2NC(=O)c2cccc(I)c2)n1 ZINC000021595959 230907807 /nfs/dbraw/zinc/90/78/07/230907807.db2.gz QTIFKWRIOPKLGZ-UHFFFAOYSA-N 0 0 388.208 4.400 40 0 GIABRN C[C@@H](CNC(=O)c1cc(C2CCOCC2)c2cnccc2n1)c1ccccc1 ZINC000019456461 210251249 /nfs/dbraw/zinc/25/12/49/210251249.db2.gz SFTYZOCGTJFXRO-INIZCTEOSA-N 0 0 375.472 4.057 40 0 GIABRN C[C@H](Cn1cnc2ccccc21)C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000019457701 210250908 /nfs/dbraw/zinc/25/09/08/210250908.db2.gz NGXDXKYEFKNTOA-QZTJIDSGSA-N 0 0 395.478 4.129 40 0 GIABRN COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Cn2cnc3ccccc32)c(OC)c1 ZINC000019457717 210250227 /nfs/dbraw/zinc/25/02/27/210250227.db2.gz XEQFWPBBDUAFEL-OXJNMPFZSA-N 0 0 393.487 4.053 40 0 GIABRN CC(C)CC(=O)N1CCC[C@@](Cc2ccc(-c3ccccc3)cc2)(C(N)=O)C1 ZINC000019446291 210249188 /nfs/dbraw/zinc/24/91/88/210249188.db2.gz WIOBVGLEIQBIFW-DEOSSOPVSA-N 0 0 378.516 4.036 40 0 GIABRN O=C(C1CCCC1)N1CCC(c2nc(NC3CC3)ncc2-c2ccccn2)CC1 ZINC000019402670 210248900 /nfs/dbraw/zinc/24/89/00/210248900.db2.gz GTVKIDFIABDANI-UHFFFAOYSA-N 0 0 391.519 4.009 40 0 GIABRN Cc1cc(C)nc(SCC(=O)N2c3ccccc3S[C@H]3C=CC=C[C@@H]32)n1 ZINC000408544040 231056005 /nfs/dbraw/zinc/05/60/05/231056005.db2.gz RLIBZQZECHVSDW-RDJZCZTQSA-N 0 0 381.526 4.188 40 0 GIABRN O=Cc1cc(Br)c(Sc2nnc(COc3ccccc3F)o2)o1 ZINC000408553176 231058076 /nfs/dbraw/zinc/05/80/76/231058076.db2.gz OSQLTDUENNTGIZ-UHFFFAOYSA-N 0 0 399.197 4.107 40 0 GIABRN Cc1ccc(C(=O)N2N=C(c3ccccc3)C[C@]2(O)C(F)(F)F)c(Cl)c1 ZINC000408563881 231062887 /nfs/dbraw/zinc/06/28/87/231062887.db2.gz RPJOOTYIXQBMBP-KRWDZBQOSA-N 0 0 382.769 4.150 40 0 GIABRN COc1cccc(C(=S)NC[C@@H]2CCCO2)c1OCc1ccccc1Cl ZINC000408572247 231065913 /nfs/dbraw/zinc/06/59/13/231065913.db2.gz FVLODNHLZHLQMG-HNNXBMFYSA-N 0 0 391.920 4.372 40 0 GIABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 ZINC000408584874 231067769 /nfs/dbraw/zinc/06/77/69/231067769.db2.gz WCJPWRJVEOAOST-UHFFFAOYSA-N 0 0 395.912 4.227 40 0 GIABRN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(C(F)(F)F)cc1 ZINC000019418905 210247394 /nfs/dbraw/zinc/24/73/94/210247394.db2.gz DVBVKMVJGINSMW-UHFFFAOYSA-N 0 0 397.393 4.066 40 0 GIABRN O=C(c1ccccc1Cl)N(Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408686589 231095426 /nfs/dbraw/zinc/09/54/26/231095426.db2.gz SAZACYABXLZRIW-IRXDYDNUSA-N 0 0 396.874 4.073 40 0 GIABRN O=C(Nc1cccc(F)c1)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 ZINC000408699167 231096999 /nfs/dbraw/zinc/09/69/99/231096999.db2.gz VFVHUJNCQVWCEB-UHFFFAOYSA-N 0 0 376.366 4.465 40 0 GIABRN O=C(c1cccs1)N1CCC[C@H](c2nnc(-c3nccc4ccccc43)o2)C1 ZINC000019376419 210246656 /nfs/dbraw/zinc/24/66/56/210246656.db2.gz YQMQXXRNBSXAIS-HNNXBMFYSA-N 0 0 390.468 4.366 40 0 GIABRN O=C(C1CCC1)N1CC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 ZINC000019373274 210246501 /nfs/dbraw/zinc/24/65/01/210246501.db2.gz CQOHFWQNIXAOEO-IBGZPJMESA-N 0 0 399.498 4.398 40 0 GIABRN COc1ccc(/C=C2/SC(=O)N(CNc3cccc(C)c3)C2=O)cc1OC ZINC000408726478 231106816 /nfs/dbraw/zinc/10/68/16/231106816.db2.gz MJWMOTBCJXHAPW-WOJGMQOQSA-N 0 0 384.457 4.118 40 0 GIABRN O=S(=O)(NCCSCc1c(Cl)cccc1Cl)c1ccccc1 ZINC000409028762 231149383 /nfs/dbraw/zinc/14/93/83/231149383.db2.gz RUMUWHMQNYPXCP-UHFFFAOYSA-N 0 0 376.330 4.205 40 0 GIABRN COc1ccc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)c(OC)c1C ZINC000409058041 231151951 /nfs/dbraw/zinc/15/19/51/231151951.db2.gz RZOAKBDMUIOZHZ-BOPFTXTBSA-N 0 0 385.441 4.262 40 0 GIABRN Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)s1 ZINC000409167059 231173625 /nfs/dbraw/zinc/17/36/25/231173625.db2.gz GSVFXQSEQYRKAC-RIYZIHGNSA-N 0 0 392.889 4.385 40 0 GIABRN COCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C1=O ZINC000409143494 231171362 /nfs/dbraw/zinc/17/13/62/231171362.db2.gz CFRBUIIHRJWEIN-LDADJPATSA-N 0 0 387.432 4.087 40 0 GIABRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)Cc3ccccc3)cc2)cc1 ZINC000409175970 231174794 /nfs/dbraw/zinc/17/47/94/231174794.db2.gz GJSDYYTWHQETAN-UHFFFAOYSA-N 0 0 388.419 4.183 40 0 GIABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1Cl ZINC000409182402 231175839 /nfs/dbraw/zinc/17/58/39/231175839.db2.gz LMZNDDITMICGGO-CXUHLZMHSA-N 0 0 386.860 4.323 40 0 GIABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(F)c3)C2=O)c(C)c1 ZINC000409180204 231175904 /nfs/dbraw/zinc/17/59/04/231175904.db2.gz UVPAYMHSCVDFKY-LICLKQGHSA-N 0 0 384.432 4.118 40 0 GIABRN O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1cccc(Cn2cccn2)c1 ZINC000019350051 210244390 /nfs/dbraw/zinc/24/43/90/210244390.db2.gz ZTKANHWEGJJQQD-HXUWFJFHSA-N 0 0 391.471 4.132 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC(C)C)ccc2C)cc1C ZINC000409410305 231202051 /nfs/dbraw/zinc/20/20/51/231202051.db2.gz MHQHYNSVXNMDAS-UHFFFAOYSA-N 0 0 388.533 4.189 40 0 GIABRN O=C(NCCn1ncc(-c2cccs2)c1-c1ccncc1)[C@@H]1CC=CCC1 ZINC000019344628 210242662 /nfs/dbraw/zinc/24/26/62/210242662.db2.gz QOICNWZKROAUGH-QGZVFWFLSA-N 0 0 378.501 4.146 40 0 GIABRN NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)CC2CCCC2)C1 ZINC000019344577 210242455 /nfs/dbraw/zinc/24/24/55/210242455.db2.gz NWIFDSKJHJVOMR-HSZRJFAPSA-N 0 0 396.556 4.242 40 0 GIABRN O=C(NCCn1ncc(-c2cccs2)c1-c1ccncc1)[C@H]1CC=CCC1 ZINC000019344625 210241871 /nfs/dbraw/zinc/24/18/71/210241871.db2.gz QOICNWZKROAUGH-KRWDZBQOSA-N 0 0 378.501 4.146 40 0 GIABRN O=C(CCCOc1cccc(F)c1)N1CCC[C@@H]1c1n[nH]cc1-c1ccncc1 ZINC000019294266 210240405 /nfs/dbraw/zinc/24/04/05/210240405.db2.gz CVPVOJZBDJGUNF-HXUWFJFHSA-N 0 0 394.450 4.134 40 0 GIABRN COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)n2c(C)nc3ccccc32)c(OC)c1 ZINC000019286640 210238392 /nfs/dbraw/zinc/23/83/92/210238392.db2.gz PMJUEGVCEFEMJS-QRWLVFNGSA-N 0 0 393.487 4.287 40 0 GIABRN CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2c(C)cccc2C)cc1 ZINC000409099889 529579912 /nfs/dbraw/zinc/57/99/12/529579912.db2.gz MPRNCQLGOHNONV-UHFFFAOYSA-N 0 0 380.517 4.486 40 0 GIABRN CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000409089383 529580855 /nfs/dbraw/zinc/58/08/55/529580855.db2.gz NIHKZALFFNDRAK-UHFFFAOYSA-N 0 0 380.517 4.486 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2nc(C)ncc2-c2ccncc2C)s1 ZINC000019239837 210234869 /nfs/dbraw/zinc/23/48/69/210234869.db2.gz JAJQGJDWKZBRNW-GOSISDBHSA-N 0 0 393.516 4.206 40 0 GIABRN CCc1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)o2)cc1 ZINC000151456832 529676481 /nfs/dbraw/zinc/67/64/81/529676481.db2.gz WPCPOVMBDUDQOS-UHFFFAOYSA-N 0 0 383.473 4.250 40 0 GIABRN Cc1noc(C)c1CC(=O)Nc1nnc([C@@H](C)Oc2cccc(C)c2C)s1 ZINC000019235692 210232943 /nfs/dbraw/zinc/23/29/43/210232943.db2.gz AVGYDGHWYVJPET-CQSZACIVSA-N 0 0 386.477 4.081 40 0 GIABRN Cc1ccc(C)c([C@H](NC(=O)CCn2ncc3c2CCCC3)c2ccncc2)c1 ZINC000019132245 210228033 /nfs/dbraw/zinc/22/80/33/210228033.db2.gz GOYQUPJIKHPDKS-XMMPIXPASA-N 0 0 388.515 4.070 40 0 GIABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)C3CCCCC3)CC1)N2 ZINC000019128545 210227880 /nfs/dbraw/zinc/22/78/80/210227880.db2.gz ZDWKKQIGYDKFMI-DLBZAZTESA-N 0 0 380.483 4.001 40 0 GIABRN CCc1ccc(OCC(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 ZINC000408619258 529694755 /nfs/dbraw/zinc/69/47/55/529694755.db2.gz AUMXWHFXKJCNHL-UHFFFAOYSA-N 0 0 388.467 4.448 40 0 GIABRN COc1cccc(CN2CCCC[C@H]2c2[nH]ncc2-c2cc(C)no2)c1OC ZINC000019120947 210227241 /nfs/dbraw/zinc/22/72/41/210227241.db2.gz AWGRCDWEAWQYLV-KRWDZBQOSA-N 0 0 382.464 4.118 40 0 GIABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CC[N@H+](Cc4ccccc4F)C3)cc2n1 ZINC000019117144 210225562 /nfs/dbraw/zinc/22/55/62/210225562.db2.gz FBVVNIFPZQZTFR-AWEZNQCLSA-N 0 0 378.373 4.185 40 0 GIABRN CCc1n[nH]c(=S)n1NCc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000008339140 529698735 /nfs/dbraw/zinc/69/87/35/529698735.db2.gz RQUQLBJKNOODGZ-UHFFFAOYSA-N 0 0 384.505 4.143 40 0 GIABRN CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)CC(C)(C)C)CC2)C1 ZINC000019019883 210223755 /nfs/dbraw/zinc/22/37/55/210223755.db2.gz OGWYHMHFQDZFJQ-UHFFFAOYSA-N 0 0 386.536 4.004 40 0 GIABRN CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)C3=CCCCC3)CC2)C1 ZINC000019019874 210223086 /nfs/dbraw/zinc/22/30/86/210223086.db2.gz FSPFUDBJQVZJFF-UHFFFAOYSA-N 0 0 396.531 4.068 40 0 GIABRN CC(=O)N(C)C1CCC2(CC1)CN(C(=O)C1=CCCCC1)Cc1ccccc1O2 ZINC000019016248 210222276 /nfs/dbraw/zinc/22/22/76/210222276.db2.gz SISPKJNGBKNBKD-UHFFFAOYSA-N 0 0 396.531 4.068 40 0 GIABRN O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000018217507 210218728 /nfs/dbraw/zinc/21/87/28/210218728.db2.gz RXEKYLPABXLSBX-UHFFFAOYSA-N 0 0 386.495 4.116 40 0 GIABRN O=C(Cn1nc(C2CCCCC2)n(-n2cccc2)c1=S)Nc1ccc(F)cc1 ZINC000016777928 210197334 /nfs/dbraw/zinc/19/73/34/210197334.db2.gz SXXYCCZUCGKDEU-UHFFFAOYSA-N 0 0 399.495 4.352 40 0 GIABRN Cc1ccc(-n2nnnc2-c2cnc(C3CC3)nc2-c2ccc(F)cc2F)cc1 ZINC000016311564 210189446 /nfs/dbraw/zinc/18/94/46/210189446.db2.gz WFZJINSSJRFGME-UHFFFAOYSA-N 0 0 390.397 4.250 40 0 GIABRN COc1ccc(/C=C/C(=O)NCCOc2ccc3ccccc3c2)cc1OC ZINC000016142142 210185462 /nfs/dbraw/zinc/18/54/62/210185462.db2.gz QOWFMVGJXONBCI-XYOKQWHBSA-N 0 0 377.440 4.065 40 0 GIABRN COc1ccc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)c2ccccc12 ZINC000015009457 210143745 /nfs/dbraw/zinc/14/37/45/210143745.db2.gz DANNQQXHUSCWKO-VCHYOVAHSA-N 0 0 399.468 4.084 40 0 GIABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000014737855 210125727 /nfs/dbraw/zinc/12/57/27/210125727.db2.gz NVMUCTCXMFGBIX-LSDHHAIUSA-N 0 0 376.294 4.354 40 0 GIABRN CCOC(=O)c1c(NC(=O)Cc2ccc(OC)c(C)c2)sc2c1CCCC2 ZINC000013971690 210096921 /nfs/dbraw/zinc/09/69/21/210096921.db2.gz GWEKCCAXRYLQFY-UHFFFAOYSA-N 0 0 387.501 4.302 40 0 GIABRN CC[C@H](C(=O)Nc1ccccc1C(C)C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715637 210083132 /nfs/dbraw/zinc/08/31/32/210083132.db2.gz ZNZXYIBXRSRXNS-LJQANCHMSA-N 0 0 392.496 4.132 40 0 GIABRN CC[C@@H](C(=O)Nc1cc(C)ccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711945 210082897 /nfs/dbraw/zinc/08/28/97/210082897.db2.gz NPEDLSLZINFMMA-SFHVURJKSA-N 0 0 394.924 4.140 40 0 GIABRN O=C(c1ccccc1OCc1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000013687099 210079891 /nfs/dbraw/zinc/07/98/91/210079891.db2.gz SOXSBAJSPLNZSJ-UHFFFAOYSA-N 0 0 386.495 4.224 40 0 GIABRN C[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000013709884 210080553 /nfs/dbraw/zinc/08/05/53/210080553.db2.gz CCRYDUJUIYZWKD-CQSZACIVSA-N 0 0 379.287 4.110 40 0 GIABRN O=C1C[C@@H](c2cccs2)Cc2nc3nc(-c4ccc(Cl)cc4)nn3cc21 ZINC000013634365 210074331 /nfs/dbraw/zinc/07/43/31/210074331.db2.gz OTTIEXUHFMFBSJ-LBPRGKRZSA-N 0 0 380.860 4.419 40 0 GIABRN COc1ccc(NC(=S)N2CCC(c3nc4ccccc4o3)CC2)c(OC)c1 ZINC000013556037 210067160 /nfs/dbraw/zinc/06/71/60/210067160.db2.gz TZKZTLMCPKNYAX-UHFFFAOYSA-N 0 0 397.500 4.421 40 0 GIABRN CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC000012238702 209926122 /nfs/dbraw/zinc/92/61/22/209926122.db2.gz CIFAIBAZGBSBST-QFIPXVFZSA-N 0 0 398.510 4.471 40 0 GIABRN c1csc(-c2nc(NCc3cccnc3)ncc2-c2ccc3c(c2)OCO3)n1 ZINC000012089522 209907320 /nfs/dbraw/zinc/90/73/20/209907320.db2.gz YYKQTCVHYPZAON-UHFFFAOYSA-N 0 0 389.440 4.003 40 0 GIABRN Cc1nn(-c2ccccc2)c2c1[C@H](C(=O)Nc1cc(Cl)ccc1C)CC(=O)O2 ZINC000008559690 209785851 /nfs/dbraw/zinc/78/58/51/209785851.db2.gz RSVMKMPXQPAXLN-MRXNPFEDSA-N 0 0 395.846 4.174 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)n2)cc1 ZINC000007780997 209745448 /nfs/dbraw/zinc/74/54/48/209745448.db2.gz XQQBBPXEMRAMQX-OAHLLOKOSA-N 0 0 399.878 4.433 40 0 GIABRN CC1=C[C@@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 ZINC000035442786 209709554 /nfs/dbraw/zinc/70/95/54/209709554.db2.gz RLBHLWLYTAOVCJ-UFYCRDLUSA-N 0 0 394.519 4.055 40 0 biogenic,in-vitro GIABRN COc1cc2sc(NC(=S)NC(=O)c3ccccc3)nc2cc1Cl ZINC000006646156 209662453 /nfs/dbraw/zinc/66/24/53/209662453.db2.gz NRQIGIDCWAMLBQ-UHFFFAOYSA-N 0 0 377.878 4.085 40 0 GIABRN CCOC(=O)/C(c1nc(-c2ccccc2)cs1)=C1/NN=C(c2ccccc2)O1 ZINC000006438834 209649769 /nfs/dbraw/zinc/64/97/69/209649769.db2.gz QUJBOSKCHLNUHB-ZPHPHTNESA-N 0 0 391.452 4.023 40 0 GIABRN CCCOc1cccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)c1 ZINC000006324712 209643501 /nfs/dbraw/zinc/64/35/01/209643501.db2.gz ZCXHOKRJJSXMBX-UHFFFAOYSA-N 0 0 397.500 4.174 40 0 GIABRN COc1cc(C(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc(OC)c1OC ZINC000005743634 209612126 /nfs/dbraw/zinc/61/21/26/209612126.db2.gz IMKVLEFKSDLMOI-UHFFFAOYSA-N 0 0 390.745 4.032 40 0 GIABRN Cc1ccc(C)c(NCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)c1 ZINC000004620642 209504954 /nfs/dbraw/zinc/50/49/54/209504954.db2.gz SNNVKQWMFCLPAQ-GIJQJNRQSA-N 0 0 382.441 4.138 40 0 GIABRN COc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Br)cc23)cc1 ZINC000002468513 209366944 /nfs/dbraw/zinc/36/69/44/209366944.db2.gz WPMOQEWUHPBHGT-YJBOKZPZSA-N 0 0 389.249 4.227 40 0 GIABRN CC(=O)Nc1ccc(S(=O)(=O)N=S(c2ccccc2)c2ccccc2)cc1 ZINC000001667667 209334922 /nfs/dbraw/zinc/33/49/22/209334922.db2.gz FSJICTFPJGUCAN-UHFFFAOYSA-N 0 0 398.509 4.254 40 0 GIABRN COc1ccc(N(CC(=O)NC2CCCCC2)C(=O)c2ccc(C)s2)cc1 ZINC000001342186 209320291 /nfs/dbraw/zinc/32/02/91/209320291.db2.gz SIXZTVOTOLPUNZ-UHFFFAOYSA-N 0 0 386.517 4.161 40 0 GIABRN COc1ccc(/C=C2/N=C(c3ccc(Cl)c(Cl)c3)OC2=O)cc1OC ZINC000001509399 209330425 /nfs/dbraw/zinc/33/04/25/209330425.db2.gz QYWOZAGRBYPTIR-VGOFMYFVSA-N 0 0 378.211 4.355 40 0 GIABRN Cc1c(O)ccc2c1O[C@@]1(C[C@H]2c2ccc(F)cc2)CC(C)(C)NC(=S)N1 ZINC000000875636 209273902 /nfs/dbraw/zinc/27/39/02/209273902.db2.gz MCXGYPFDJCUCGI-KKSFZXQISA-N 0 0 386.492 4.097 40 0 GIABRN C[C@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)NCc1cc(F)cc(F)c1 ZINC000253397013 209216872 /nfs/dbraw/zinc/21/68/72/209216872.db2.gz FHLMUBBEHSFJPH-JTQLQIEISA-N 0 0 392.789 4.257 40 0 biogenic,in-vitro GIABRN CN1CCN(C(=O)c2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)CC1 ZINC000041127563 209196334 /nfs/dbraw/zinc/19/63/34/209196334.db2.gz BSHCRZLCKJESCX-UHFFFAOYSA-N 0 0 390.270 4.189 40 0 GIABRN COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000224886780 209188291 /nfs/dbraw/zinc/18/82/91/209188291.db2.gz ZUJBJNLZGYOQSR-ZDUSSCGKSA-N 0 0 398.322 4.114 40 0 GIABRN O=C(OCc1cccc(Cl)c1)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 ZINC000100391363 212065063 /nfs/dbraw/zinc/06/50/63/212065063.db2.gz VSMFLQLXCXUOQP-OALUTQOASA-N 0 0 397.858 4.377 40 0 GIABRN CCn1ccc(CN(C)C(=O)c2ccccc2COc2ccc(F)cc2F)n1 ZINC000002788109 212062081 /nfs/dbraw/zinc/06/20/81/212062081.db2.gz WMSUKVNVAIOYTI-UHFFFAOYSA-N 0 0 385.414 4.032 40 0 GIABRN CC(=O)Oc1cc(C)c2c(c1)O[C@]1(C[C@H]2c2ccccc2)CC(C)(C)NC(=O)N1 ZINC000001441343 212060496 /nfs/dbraw/zinc/06/04/96/212060496.db2.gz CPICVDHGSFJJEY-FDDCHVKYSA-N 0 0 394.471 4.013 40 0 GIABRN Cc1cccc(CN2C[C@H]3[C@H](C2)c2cc(-c4ccco4)ccc2S3(=O)=O)c1 ZINC000306136216 212050877 /nfs/dbraw/zinc/05/08/77/212050877.db2.gz PNATYWRVLOVYEE-KNQAVFIVSA-N 0 0 379.481 4.010 40 0 GIABRN Cc1cccc(C(=O)N2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306127944 212047013 /nfs/dbraw/zinc/04/70/13/212047013.db2.gz GLJKZCURVJTIRD-NRFANRHFSA-N 0 0 397.482 4.120 40 0 GIABRN c1csc(CN2CCO[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)c1 ZINC000306124475 212044468 /nfs/dbraw/zinc/04/44/68/212044468.db2.gz BQSJUQMOACXVRR-HXUWFJFHSA-N 0 0 376.485 4.031 40 0 GIABRN COC(=O)[C@@H](OC(=O)c1nn(CC2CCCCC2)c2ccccc21)C(C)(C)C ZINC000299817309 212041076 /nfs/dbraw/zinc/04/10/76/212041076.db2.gz SUEOBRAXHJBVGY-LJQANCHMSA-N 0 0 386.492 4.361 40 0 in-vitro GIABRN CCc1nnsc1C(=O)N1CCC[C@H](c2cc(-c3ccccc3)cc(C)n2)C1 ZINC000257340700 212028583 /nfs/dbraw/zinc/02/85/83/212028583.db2.gz ZHFUQHBBIVCJSW-KRWDZBQOSA-N 0 0 392.528 4.491 40 0 GIABRN COc1ccccc1CC(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257330092 212025693 /nfs/dbraw/zinc/02/56/93/212025693.db2.gz XMTMLXPZKJFOOM-FQEVSTJZSA-N 0 0 394.446 4.319 40 0 GIABRN CCNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C2CC2)CC1 ZINC000257327212 212025393 /nfs/dbraw/zinc/02/53/93/212025393.db2.gz XAMMOVZWRDSJLG-UHFFFAOYSA-N 0 0 396.556 4.113 40 0 GIABRN O=C(c1cccnn1)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257328196 212025101 /nfs/dbraw/zinc/02/51/01/212025101.db2.gz XEPALMTVWVKWTH-GOSISDBHSA-N 0 0 382.851 4.076 40 0 GIABRN CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccc5ccccc5c4)OCC[C@]3(C2)[C@H]1NC(=O)CCO ZINC000257321533 212024633 /nfs/dbraw/zinc/02/46/33/212024633.db2.gz WCBPYNFFLFRJLY-AVVQQZOASA-N 0 0 393.527 4.221 40 0 GIABRN CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(N5CCCC5)cc4)OCC[C@@]31C2 ZINC000257328255 212026025 /nfs/dbraw/zinc/02/60/25/212026025.db2.gz XEVXDZPCOGOSNS-UVFBAWLLSA-N 0 0 382.548 4.305 40 0 GIABRN Cc1nccnc1[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257328065 212025792 /nfs/dbraw/zinc/02/57/92/212025792.db2.gz XDYNHJLEWYCFLK-MRXNPFEDSA-N 0 0 377.444 4.123 40 0 GIABRN CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(N5CCCC5)cc4)OCC[C@]13C2 ZINC000257328254 212025952 /nfs/dbraw/zinc/02/59/52/212025952.db2.gz XEVXDZPCOGOSNS-KAQSZFGASA-N 0 0 382.548 4.305 40 0 GIABRN Cc1csc(Nc2cccc([C@@H]3CN(Cc4cccc(C)c4)CCO3)n2)n1 ZINC000257308003 212022917 /nfs/dbraw/zinc/02/29/17/212022917.db2.gz TVBPBKBBRCOORI-IBGZPJMESA-N 0 0 380.517 4.472 40 0 GIABRN Cc1cccc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4F)o3)C2)n1 ZINC000257297306 212019697 /nfs/dbraw/zinc/01/96/97/212019697.db2.gz RGSMLMQMKDQHMX-KRWDZBQOSA-N 0 0 379.435 4.128 40 0 GIABRN C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(O)ccc1OC21CCN(C(=O)OC(C)(C)C)CC1 ZINC000257289966 212018817 /nfs/dbraw/zinc/01/88/17/212018817.db2.gz QAYIGJXOYUORNH-BJZITVGISA-N 0 0 389.492 4.411 40 0 GIABRN O=C(c1cncnc1)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257291198 212018343 /nfs/dbraw/zinc/01/83/43/212018343.db2.gz QGBROFVRFNHRHY-GOSISDBHSA-N 0 0 382.851 4.076 40 0 GIABRN COc1cccc(CC(=O)N2CCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)c1 ZINC000257293100 212018052 /nfs/dbraw/zinc/01/80/52/212018052.db2.gz QOCOPMVWBFOZTN-NRFANRHFSA-N 0 0 394.446 4.319 40 0 GIABRN CCCCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(OC)cc2OC)c1 ZINC000027563267 209178528 /nfs/dbraw/zinc/17/85/28/209178528.db2.gz OEPFENQTWFSPSZ-ZRDIBKRKSA-N 0 0 383.444 4.313 40 0 GIABRN Cc1ccc(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)cn1 ZINC000257292447 212017378 /nfs/dbraw/zinc/01/73/78/212017378.db2.gz QLNCXLHOELQPKK-GOSISDBHSA-N 0 0 379.435 4.128 40 0 GIABRN COC(C)(C)C(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257287130 212017426 /nfs/dbraw/zinc/01/74/26/212017426.db2.gz POQWLIIBTPEWCJ-KRWDZBQOSA-N 0 0 376.884 4.397 40 0 GIABRN CCc1onc(C)c1-c1cccc(C2CCN(C(=O)c3c(C)noc3C)CC2)n1 ZINC000257283865 212016763 /nfs/dbraw/zinc/01/67/63/212016763.db2.gz PAEXDPQEBWFIQC-UHFFFAOYSA-N 0 0 394.475 4.232 40 0 GIABRN COCCC(=O)N[C@]1(C)C[C@H](c2ccccc2O)O[C@H](c2ccc(F)cc2)C1 ZINC000257266734 212014436 /nfs/dbraw/zinc/01/44/36/212014436.db2.gz MEFUNMAEFJCUAS-VWPQPMDRSA-N 0 0 387.451 4.036 40 0 GIABRN O=C(N1CCC[C@@H](Cc2ccccn2)C1)C1(Cc2ccccc2F)CCOCC1 ZINC000257276977 212015659 /nfs/dbraw/zinc/01/56/59/212015659.db2.gz NVYHHRSIDSPLEB-IBGZPJMESA-N 0 0 396.506 4.041 40 0 GIABRN O=C(COc1ccccc1)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257273355 212014791 /nfs/dbraw/zinc/01/47/91/212014791.db2.gz NGESNLPQHABCHX-HXUWFJFHSA-N 0 0 380.419 4.147 40 0 GIABRN CCOc1cc(-c2nnc(N)o2)cc(Br)c1OCc1ccccc1 ZINC000216823774 209176531 /nfs/dbraw/zinc/17/65/31/209176531.db2.gz HYFRVKGFGUZQRD-UHFFFAOYSA-N 0 0 390.237 4.059 40 0 GIABRN CCOc1cc(C(=O)OC)cc(Br)c1OCc1ccccc1F ZINC000216831195 209174167 /nfs/dbraw/zinc/17/41/67/209174167.db2.gz JWHBEPYRKKPIGA-UHFFFAOYSA-N 0 0 383.213 4.353 40 0 GIABRN Fc1cc(Nc2cc(Cl)nc(C(F)(F)F)n2)cc(F)c1Br ZINC000329033348 209158380 /nfs/dbraw/zinc/15/83/80/209158380.db2.gz QTTNOBMPIPSRBX-UHFFFAOYSA-N 0 0 388.521 4.355 40 0 GIABRN Cc1c[nH]nc1C1CC[NH+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)CC1 ZINC000257258936 212012541 /nfs/dbraw/zinc/01/25/41/212012541.db2.gz KWDXKNDMBVKVDD-UHFFFAOYSA-N 0 0 375.472 4.463 40 0 GIABRN COc1cccc(Cc2cnc([C@H]3CCCN3C(=O)c3scnc3C)o2)c1 ZINC000257259477 212012307 /nfs/dbraw/zinc/01/23/07/212012307.db2.gz KYPAMKVGMJVAKU-QGZVFWFLSA-N 0 0 383.473 4.016 40 0 GIABRN Cc1nc(C2CC[NH+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)CC2)no1 ZINC000257258943 212012135 /nfs/dbraw/zinc/01/21/35/212012135.db2.gz KWERSKFLLGTQAU-UHFFFAOYSA-N 0 0 377.444 4.123 40 0 GIABRN Cc1noc(C)c1-c1ccc([C@@H]2CCCN(C(=O)Nc3cccnc3)C2)nc1 ZINC000257248359 212011324 /nfs/dbraw/zinc/01/13/24/212011324.db2.gz JDICAECAHFIFJX-QGZVFWFLSA-N 0 0 377.448 4.160 40 0 GIABRN O=C(NCc1ccccc1)c1cccc(-c2ccc(C[C@@H]3CCCNC3=O)cc2)c1 ZINC000257244668 212011358 /nfs/dbraw/zinc/01/13/58/212011358.db2.gz IMHXSUUMELVHEW-QHCPKHFHSA-N 0 0 398.506 4.352 40 0 GIABRN Cc1nc(Nc2cccc(C3CCN(C(=O)c4ccccn4)CC3)n2)sc1C ZINC000257250426 212011088 /nfs/dbraw/zinc/01/10/88/212011088.db2.gz JMLWUEFSDRGPMK-UHFFFAOYSA-N 0 0 393.516 4.313 40 0 GIABRN CCCC(=O)N1CCC(Cc2cccc(-c3ccccc3C)c2)(C(=O)NC)CC1 ZINC000257251781 212011178 /nfs/dbraw/zinc/01/11/78/212011178.db2.gz JSEPHICIIZCGBD-UHFFFAOYSA-N 0 0 392.543 4.359 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Cl)cc2Cl)cc(C2CC2)n1 ZINC000329059700 209160310 /nfs/dbraw/zinc/16/03/10/209160310.db2.gz WJPMESZUUMCBCE-MRXNPFEDSA-N 0 0 381.307 4.255 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2cccc(Br)c2)cc(C(F)(F)F)n1 ZINC000329050606 209160344 /nfs/dbraw/zinc/16/03/44/209160344.db2.gz UTQRDUKGSLXMIX-SECBINFHSA-N 0 0 389.219 4.056 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2cccc(Br)c2)cc(C(F)(F)F)n1 ZINC000329050607 209160050 /nfs/dbraw/zinc/16/00/50/209160050.db2.gz UTQRDUKGSLXMIX-VIFPVBQESA-N 0 0 389.219 4.056 40 0 GIABRN CC(C)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000329054709 209159806 /nfs/dbraw/zinc/15/98/06/209159806.db2.gz VKSGASFJMCUYJK-UHFFFAOYSA-N 0 0 388.393 4.450 40 0 GIABRN COCCC(=O)N[C@@]1(C)C[C@H](c2ccc(OC)cc2F)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257234338 212009433 /nfs/dbraw/zinc/00/94/33/212009433.db2.gz GTAYLFPUVVKSRH-ZQAUXDFRSA-N 0 0 393.499 4.012 40 0 GIABRN CC(C)C(=O)N1CCC(Cc2cccc(-c3ccccc3)c2)(C(=O)N(C)C)CC1 ZINC000257242715 212009112 /nfs/dbraw/zinc/00/91/12/212009112.db2.gz IDURZKADVNZRDA-UHFFFAOYSA-N 0 0 392.543 4.249 40 0 GIABRN Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCCN2C(=O)c2ncccc2C)n1 ZINC000257236314 212009186 /nfs/dbraw/zinc/00/91/86/212009186.db2.gz HBOJSCAXSZUOKX-GOSISDBHSA-N 0 0 391.475 4.128 40 0 GIABRN CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000257237634 212008984 /nfs/dbraw/zinc/00/89/84/212008984.db2.gz HHJWDAZOCXPCAW-ZDUSSCGKSA-N 0 0 399.541 4.079 40 0 GIABRN CC(=O)N[C@@]1(C)C[C@H](c2ccc(-n3ccnc3C)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257243133 212008249 /nfs/dbraw/zinc/00/82/49/212008249.db2.gz IFPGFCNOLFFMQH-XTSSOZKMSA-N 0 0 381.520 4.342 40 0 GIABRN CC(C)C(=O)N(C)[C@@H]1CCC[C@@H](Nc2ccccc2Cc2ccccc2)[C@@H]1O ZINC000257238160 212008157 /nfs/dbraw/zinc/00/81/57/212008157.db2.gz HJVDRUBSDNXSBW-ZLNRFVROSA-N 0 0 380.532 4.086 40 0 GIABRN O=C(Cc1cccnc1)N1CC[C@@H](Nc2ccccc2)[C@@H](Cc2ccccc2)C1 ZINC000257202293 212001244 /nfs/dbraw/zinc/00/12/44/212001244.db2.gz ALEHJVLZPMWSSI-LADGPHEKSA-N 0 0 385.511 4.196 40 0 GIABRN O=C(COc1ccccc1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257226293 212007349 /nfs/dbraw/zinc/00/73/49/212007349.db2.gz FKACNXIPMXMQAR-SFHVURJKSA-N 0 0 394.446 4.190 40 0 GIABRN FC(F)(F)c1ccc(-c2nc(Cl)cc(NCCc3ccncc3)n2)cc1 ZINC000329023085 209158023 /nfs/dbraw/zinc/15/80/23/209158023.db2.gz OSGRVWPVFVHKJF-UHFFFAOYSA-N 0 0 378.785 4.287 40 0 GIABRN O=C(COc1cccnc1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257221173 212005751 /nfs/dbraw/zinc/00/57/51/212005751.db2.gz DNUSTLFLRRDDBB-IBGZPJMESA-N 0 0 397.862 4.056 40 0 GIABRN Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)C1 ZINC000257216106 212004911 /nfs/dbraw/zinc/00/49/11/212004911.db2.gz CTCWFPDDUPFYBX-IBGZPJMESA-N 0 0 389.499 4.240 40 0 GIABRN CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccc(F)cc1)CN(C(=O)c1ccccc1)CCO2 ZINC000257209372 212003541 /nfs/dbraw/zinc/00/35/41/212003541.db2.gz BQDDLLUSHMXXPW-FIXSFTCYSA-N 0 0 397.490 4.471 40 0 GIABRN Cc1ncsc1C(=O)N1CCC(c2ccnc(-c3c(C)noc3C)c2)CC1 ZINC000257211898 212003105 /nfs/dbraw/zinc/00/31/05/212003105.db2.gz CAZJKRQAPUYKMS-UHFFFAOYSA-N 0 0 382.489 4.138 40 0 GIABRN CC(C)C(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)CC1 ZINC000257212396 212002988 /nfs/dbraw/zinc/00/29/88/212002988.db2.gz CDFWILNZKABQKD-UHFFFAOYSA-N 0 0 398.572 4.311 40 0 GIABRN Cc1c(Nc2cc(-c3ccccn3)nc(NC(C)C)n2)cccc1C(F)(F)F ZINC000329038172 209157117 /nfs/dbraw/zinc/15/71/17/209157117.db2.gz RRUMKINZQXFAMH-UHFFFAOYSA-N 0 0 387.409 4.274 40 0 GIABRN Cc1ccc(C)c(Nc2cc(-c3ccccc3)nc(N[C@@H](CO)C(C)C)n2)c1 ZINC000328993754 209156591 /nfs/dbraw/zinc/15/65/91/209156591.db2.gz JBCUPCAMFSNPEY-NRFANRHFSA-N 0 0 376.504 4.355 40 0 GIABRN Fc1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCC3)n2)c(Cl)c1 ZINC000328988379 209155720 /nfs/dbraw/zinc/15/57/20/209155720.db2.gz IGJBOUNLXFXBEE-UHFFFAOYSA-N 0 0 383.858 4.273 40 0 GIABRN O=C(CN1C(=O)S/C(=C/C=C\c2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000033656467 211948010 /nfs/dbraw/zinc/94/80/10/211948010.db2.gz LBRALFONZQUVGG-VDHUBAETSA-N 0 0 382.416 4.057 40 0 GIABRN COc1cc(OC)cc(C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)c1 ZINC000226093189 211939159 /nfs/dbraw/zinc/93/91/59/211939159.db2.gz ODFBOFUIBAMMFM-UHFFFAOYSA-N 0 0 381.432 4.053 40 0 GIABRN CCCO[C@]1(C(=O)Nc2ccc(OC)c(C(=O)OCC)c2)CCC[C@@H](C)C1 ZINC000225853820 211932793 /nfs/dbraw/zinc/93/27/93/211932793.db2.gz GAKAKFWPUDKLNO-QVKFZJNVSA-N 0 0 377.481 4.186 40 0 GIABRN CCO[C@]1(C(=O)Nc2ccc(OC(C)C)c(C(=O)OC)c2)CCC[C@H](C)C1 ZINC000225831458 211931559 /nfs/dbraw/zinc/93/15/59/211931559.db2.gz SEBNQZKMUFLESD-YCRPNKLZSA-N 0 0 377.481 4.184 40 0 GIABRN O=C(COc1cccc(C(F)(F)F)c1)NCc1cccc(C(F)(F)F)c1 ZINC000225815713 211929608 /nfs/dbraw/zinc/92/96/08/211929608.db2.gz UVQSXUQXCIRASV-UHFFFAOYSA-N 0 0 377.284 4.419 40 0 GIABRN COc1ccc2c(c1)CCC[C@@H]2NC(=O)COc1cccc(C(F)(F)F)c1 ZINC000225814199 211929676 /nfs/dbraw/zinc/92/96/76/211929676.db2.gz VTDUSODTQYLQDK-SFHVURJKSA-N 0 0 379.378 4.287 40 0 GIABRN COc1ccc(NC(=O)CCc2nc(-c3cccc(F)c3)no2)cc1Cl ZINC000225800357 211928620 /nfs/dbraw/zinc/92/86/20/211928620.db2.gz HDVFHMHDPQAVCZ-UHFFFAOYSA-N 0 0 375.787 4.109 40 0 GIABRN COc1ccc([C@H](C)NC(=O)CCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000225809977 211928707 /nfs/dbraw/zinc/92/87/07/211928707.db2.gz DKDQBNRMFVDVQA-ZDUSSCGKSA-N 0 0 385.851 4.209 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)N[C@H](C)COc2ccccc2)cc1Cl ZINC000225783823 211926809 /nfs/dbraw/zinc/92/68/09/211926809.db2.gz JCORDPDOGGLRHM-CYBMUJFWSA-N 0 0 392.908 4.271 40 0 GIABRN Fc1ccc(Nc2cc(Cl)nc(-c3ccccn3)n2)cc1Br ZINC000328978434 209154905 /nfs/dbraw/zinc/15/49/05/209154905.db2.gz FZNUHYNOMLJEJI-UHFFFAOYSA-N 0 0 379.620 4.259 40 0 GIABRN COCCCNC(=O)c1ccccc1NC(=O)c1cc(C(C)C)c(OC)cc1C ZINC000225664328 211915245 /nfs/dbraw/zinc/91/52/45/211915245.db2.gz FQCXICMWQCKHNW-UHFFFAOYSA-N 0 0 398.503 4.146 40 0 GIABRN COc1ccc(NC(=S)NCCCc2ccc(OC(C)C)cc2)cc1OC ZINC000225568351 211906834 /nfs/dbraw/zinc/90/68/34/211906834.db2.gz FSJYNKJSYZPTLT-UHFFFAOYSA-N 0 0 388.533 4.410 40 0 GIABRN COC(=O)c1ccc(C)c(NC(=S)NCCCc2ccccc2Cl)c1 ZINC000225540517 211905452 /nfs/dbraw/zinc/90/54/52/211905452.db2.gz NTZOQAJEHYGFFG-UHFFFAOYSA-N 0 0 376.909 4.354 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225527516 211905522 /nfs/dbraw/zinc/90/55/22/211905522.db2.gz YZTQZNODZHPDGJ-FQEVSTJZSA-N 0 0 380.532 4.178 40 0 GIABRN COc1ccc(NC(=S)N[C@H](C)COc2ccccc2C)c2cccnc12 ZINC000225639050 211912253 /nfs/dbraw/zinc/91/22/53/211912253.db2.gz YVSVRPARRSGAFQ-OAHLLOKOSA-N 0 0 381.501 4.306 40 0 GIABRN CCOC(=O)c1cc(NC(=O)Cc2cccc(Br)c2)ccc1Cl ZINC000225618803 211909997 /nfs/dbraw/zinc/90/99/97/211909997.db2.gz CUTUJJLNWBQLFI-UHFFFAOYSA-N 0 0 396.668 4.460 40 0 GIABRN Cc1cc(S(=O)(=O)NCCSCc2c(F)cccc2Cl)ccc1F ZINC000225602887 211909213 /nfs/dbraw/zinc/90/92/13/211909213.db2.gz OQTKYMSWFSHGOC-UHFFFAOYSA-N 0 0 391.892 4.138 40 0 GIABRN Cc1cc(NC(=S)N[C@@H]2CCCc3ccccc32)ccc1N1CCCC1=O ZINC000225462141 211898167 /nfs/dbraw/zinc/89/81/67/211898167.db2.gz NQLILNZWHSAPAH-LJQANCHMSA-N 0 0 379.529 4.486 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225436497 211897725 /nfs/dbraw/zinc/89/77/25/211897725.db2.gz SAFLFVKMYDBYAK-QGZVFWFLSA-N 0 0 384.495 4.045 40 0 GIABRN CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000225447636 211896575 /nfs/dbraw/zinc/89/65/75/211896575.db2.gz KVCUKCRICDKFDE-QHCPKHFHSA-N 0 0 394.559 4.222 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1Cl ZINC000225406312 211895577 /nfs/dbraw/zinc/89/55/77/211895577.db2.gz QMPCSLRGRQQCBA-CQSZACIVSA-N 0 0 393.314 4.089 40 0 GIABRN CC[C@@H](Oc1ccccc1F)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000225399682 211894299 /nfs/dbraw/zinc/89/42/99/211894299.db2.gz OLMGGCCCKQLWHI-OAHLLOKOSA-N 0 0 387.436 4.149 40 0 GIABRN Fc1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCC3)n2)cc1Cl ZINC000328977231 209154348 /nfs/dbraw/zinc/15/43/48/209154348.db2.gz FSEVAKJGXHXBPU-UHFFFAOYSA-N 0 0 383.858 4.273 40 0 GIABRN COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000225501498 211900701 /nfs/dbraw/zinc/90/07/01/211900701.db2.gz XBIJCLFALLVGPH-FQEVSTJZSA-N 0 0 399.560 4.471 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)cc1C ZINC000225489601 211900803 /nfs/dbraw/zinc/90/08/03/211900803.db2.gz VXOLMTHCQNUKAS-HXUWFJFHSA-N 0 0 380.532 4.096 40 0 GIABRN Cc1cccc(CN(C(=O)CSc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225496948 211900515 /nfs/dbraw/zinc/90/05/15/211900515.db2.gz LRWLVYARUNOGBH-SFHVURJKSA-N 0 0 384.545 4.029 40 0 GIABRN O=C(CSCc1ccc(Cl)c(Cl)c1)NC[C@@H]1COc2ccccc2O1 ZINC000225279011 211889258 /nfs/dbraw/zinc/88/92/58/211889258.db2.gz ILXDTYSIXCCSFH-CYBMUJFWSA-N 0 0 398.311 4.183 40 0 GIABRN COc1cccc(O[C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 ZINC000225163351 211886183 /nfs/dbraw/zinc/88/61/83/211886183.db2.gz WYQXNMIAIVIFCR-CYBMUJFWSA-N 0 0 386.473 4.059 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F ZINC000225132806 211884411 /nfs/dbraw/zinc/88/44/11/211884411.db2.gz KHDJDDRZGNSYMR-ROUUACIJSA-N 0 0 384.495 4.009 40 0 GIABRN Cc1ccc(Cl)cc1Nc1cc(-c2ccccn2)nc(NC2CCCC2)n1 ZINC000328976807 209153388 /nfs/dbraw/zinc/15/33/88/209153388.db2.gz FQGKKMVJUORWQJ-UHFFFAOYSA-N 0 0 379.895 4.442 40 0 GIABRN CCNc1nc(Nc2cccc(Br)c2C)cc(-c2ccccc2)n1 ZINC000328980806 209153449 /nfs/dbraw/zinc/15/34/49/209153449.db2.gz GPNPEHOVZYCRDF-UHFFFAOYSA-N 0 0 383.293 4.234 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000224972988 211877365 /nfs/dbraw/zinc/87/73/65/211877365.db2.gz ZWDUYMJGWQTZDL-QHCPKHFHSA-N 0 0 394.559 4.160 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1C ZINC000225101269 211882542 /nfs/dbraw/zinc/88/25/42/211882542.db2.gz KTUYVXWBSALJPQ-OAQYLSRUSA-N 0 0 396.531 4.016 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl ZINC000225101690 211882283 /nfs/dbraw/zinc/88/22/83/211882283.db2.gz CRSIOCPXYNNNMJ-FQEVSTJZSA-N 0 0 386.923 4.216 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1 ZINC000225089424 211881634 /nfs/dbraw/zinc/88/16/34/211881634.db2.gz OBDPSPIINPVLAP-WOJBJXKFSA-N 0 0 396.531 4.014 40 0 GIABRN COc1ccc(/C=C/C(=O)Nc2ccc(N3CCCCC3)cc2)c(OC)c1OC ZINC000224941000 211876708 /nfs/dbraw/zinc/87/67/08/211876708.db2.gz QADLWHPNUPQJGM-RIYZIHGNSA-N 0 0 396.487 4.355 40 0 GIABRN CCC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224873438 211875650 /nfs/dbraw/zinc/87/56/50/211875650.db2.gz UAUMOIUZKYECNO-HXUWFJFHSA-N 0 0 386.923 4.215 40 0 GIABRN CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000224894346 211875281 /nfs/dbraw/zinc/87/52/81/211875281.db2.gz LYQOVFXPBKCTEK-UHFFFAOYSA-N 0 0 387.288 4.167 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 ZINC000224665988 211869774 /nfs/dbraw/zinc/86/97/74/211869774.db2.gz MAAINBJNBSHMMJ-HSZRJFAPSA-N 0 0 394.559 4.426 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C ZINC000224351922 211862331 /nfs/dbraw/zinc/86/23/31/211862331.db2.gz MTHORIJSNOEOBP-FQEVSTJZSA-N 0 0 386.923 4.134 40 0 GIABRN CC[C@H](NS(=O)(=O)c1cc(Br)ccc1OC)c1ccccc1C ZINC000224221407 211857021 /nfs/dbraw/zinc/85/70/21/211857021.db2.gz PRKDNJJUELIBQU-HNNXBMFYSA-N 0 0 398.322 4.196 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 ZINC000224179856 211856071 /nfs/dbraw/zinc/85/60/71/211856071.db2.gz DPJAUEVQVKFYKE-FQEVSTJZSA-N 0 0 386.923 4.134 40 0 GIABRN COc1ccc(S(=O)(=O)NCCOc2ccc(C)c(Cl)c2)cc1C(C)C ZINC000224170191 211856113 /nfs/dbraw/zinc/85/61/13/211856113.db2.gz QSQIIVNHAQUDGH-UHFFFAOYSA-N 0 0 397.924 4.138 40 0 GIABRN CCCC[C@H](CC)CNC(=O)[C@@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000224312384 211859438 /nfs/dbraw/zinc/85/94/38/211859438.db2.gz BROKJXCUUYGIJY-AZUAARDMSA-N 0 0 396.597 4.181 40 0 GIABRN Cc1ccccc1CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC(C)(C)C ZINC000224087028 211852252 /nfs/dbraw/zinc/85/22/52/211852252.db2.gz PMDBQJMIUAQKGS-QGZVFWFLSA-N 0 0 384.495 4.009 40 0 GIABRN S=C(NCC1(c2ccccc2)CCOCC1)Nc1ncc(Cl)cc1Cl ZINC000224009771 211850689 /nfs/dbraw/zinc/85/06/89/211850689.db2.gz IECVUUPINZHLEL-UHFFFAOYSA-N 0 0 396.343 4.423 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccccc1 ZINC000224136812 211854193 /nfs/dbraw/zinc/85/41/93/211854193.db2.gz IYCQMMAFLXUGDA-FQEVSTJZSA-N 0 0 384.545 4.031 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000224125324 211853734 /nfs/dbraw/zinc/85/37/34/211853734.db2.gz IMVXCOFYQXRDTE-JOCHJYFZSA-N 0 0 396.531 4.132 40 0 GIABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)cc1 ZINC000223791482 211845350 /nfs/dbraw/zinc/84/53/50/211845350.db2.gz KKBPXYPUZKDYMX-SFTDATJTSA-N 0 0 392.528 4.304 40 0 GIABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2C)cc1 ZINC000223791550 211844578 /nfs/dbraw/zinc/84/45/78/211844578.db2.gz KKBPXYPUZKDYMX-LEWJYISDSA-N 0 0 392.528 4.304 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223748585 211844608 /nfs/dbraw/zinc/84/46/08/211844608.db2.gz MOXDYUONJCWKJE-LJQANCHMSA-N 0 0 378.516 4.014 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 ZINC000223818097 211844397 /nfs/dbraw/zinc/84/43/97/211844397.db2.gz ZNDKTTGJZSWAQT-QFIPXVFZSA-N 0 0 398.522 4.400 40 0 GIABRN Cc1cnc(NC(=S)NCC2(c3ccccc3)CCOCC2)c(Cl)c1 ZINC000224010874 211849256 /nfs/dbraw/zinc/84/92/56/211849256.db2.gz YYDWSXMQLJZSJK-UHFFFAOYSA-N 0 0 375.925 4.078 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 ZINC000223713668 211843171 /nfs/dbraw/zinc/84/31/71/211843171.db2.gz BPGXGAYCAIEYEW-KRWDZBQOSA-N 0 0 386.923 4.053 40 0 GIABRN CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 ZINC000223707547 211842980 /nfs/dbraw/zinc/84/29/80/211842980.db2.gz LDOLZDCAIYEYCV-UHFFFAOYSA-N 0 0 379.909 4.264 40 0 GIABRN Cc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3cccc4c3CCCC4)n2)c1 ZINC000223581142 211836972 /nfs/dbraw/zinc/83/69/72/211836972.db2.gz LBHZEAKMUCBDFX-MRXNPFEDSA-N 0 0 391.471 4.008 40 0 GIABRN CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(C)=O ZINC000223543750 211835985 /nfs/dbraw/zinc/83/59/85/211835985.db2.gz RIOLPNLMXOOWFH-QFIPXVFZSA-N 0 0 382.504 4.091 40 0 GIABRN CCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCC(C)C)c1ccccc1 ZINC000223479110 211834858 /nfs/dbraw/zinc/83/48/58/211834858.db2.gz ZWCVCZDZSALYPI-QFIPXVFZSA-N 0 0 384.495 4.468 40 0 GIABRN CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C ZINC000223341122 211828954 /nfs/dbraw/zinc/82/89/54/211828954.db2.gz RESWMCREVSDNMH-UXHICEINSA-N 0 0 380.517 4.286 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F ZINC000223314286 211828683 /nfs/dbraw/zinc/82/86/83/211828683.db2.gz DSETYFINIKTFIA-NRFANRHFSA-N 0 0 398.522 4.399 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1F ZINC000223178806 211824464 /nfs/dbraw/zinc/82/44/64/211824464.db2.gz ZQPWMSSMUVAEMZ-FQEVSTJZSA-N 0 0 384.495 4.090 40 0 GIABRN C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CSc1ccccc1 ZINC000223095107 211821768 /nfs/dbraw/zinc/82/17/68/211821768.db2.gz XVBNKSIQGLGNDM-SFHVURJKSA-N 0 0 398.572 4.153 40 0 GIABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCC2)c1C ZINC000223004665 211819725 /nfs/dbraw/zinc/81/97/25/211819725.db2.gz AWXKHRQBDYWURA-LEWJYISDSA-N 0 0 398.576 4.234 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000222938019 211816176 /nfs/dbraw/zinc/81/61/76/211816176.db2.gz ALZXGRKVWHMJRI-HSZRJFAPSA-N 0 0 394.559 4.220 40 0 GIABRN COc1ccc(C(=O)N2c3ccc(Br)cc3C[C@@H]2C)cc1OC ZINC000222933190 211816188 /nfs/dbraw/zinc/81/61/88/211816188.db2.gz NJXOCUPFSIWYQS-NSHDSACASA-N 0 0 376.250 4.058 40 0 GIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2nccs2)c1C ZINC000222862928 211814492 /nfs/dbraw/zinc/81/44/92/211814492.db2.gz HYIUVRCFBVZZOZ-ZWKOTPCHSA-N 0 0 397.573 4.328 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1C ZINC000222890364 211813183 /nfs/dbraw/zinc/81/31/83/211813183.db2.gz DAGKMGCCQUUFGL-GOSISDBHSA-N 0 0 398.522 4.317 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 ZINC000222730241 211808179 /nfs/dbraw/zinc/80/81/79/211808179.db2.gz DGHINLXSRZLKPQ-CQSZACIVSA-N 0 0 393.314 4.008 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3Cc3cccnc3)N21 ZINC000222684962 211806982 /nfs/dbraw/zinc/80/69/82/211806982.db2.gz MGGQBKSGUYMUQF-DUXKGJEZSA-N 0 0 389.528 4.306 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 ZINC000222637242 211806767 /nfs/dbraw/zinc/80/67/67/211806767.db2.gz OJKHTQHNKPOEPV-JOCHJYFZSA-N 0 0 398.522 4.399 40 0 GIABRN CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(Cl)cc1O ZINC000222590421 211805776 /nfs/dbraw/zinc/80/57/76/211805776.db2.gz POXDYZYAWZCDCW-PDSMFRHLSA-N 0 0 389.908 4.429 40 0 GIABRN Cc1cccc(N(CCCC(=O)NC2CCCCCCC2)S(C)(=O)=O)c1C ZINC000222634094 211805416 /nfs/dbraw/zinc/80/54/16/211805416.db2.gz JVYZFTBEAUKJCR-UHFFFAOYSA-N 0 0 394.581 4.079 40 0 GIABRN Cc1cc(C)cc(N(CCCC(=O)NC2CCCCCCC2)S(C)(=O)=O)c1 ZINC000222571810 211805482 /nfs/dbraw/zinc/80/54/82/211805482.db2.gz IKKZVHWAXKKDER-UHFFFAOYSA-N 0 0 394.581 4.079 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)cc1 ZINC000222606826 211805015 /nfs/dbraw/zinc/80/50/15/211805015.db2.gz GYJZOGJNXAIZNF-UHFFFAOYSA-N 0 0 381.819 4.226 40 0 GIABRN Cc1ccc(NC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1C ZINC000220351908 211784680 /nfs/dbraw/zinc/78/46/80/211784680.db2.gz QHTYLPZLGKQQEY-OAHLLOKOSA-N 0 0 394.924 4.058 40 0 GIABRN COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1)CC(C)(C)O2 ZINC000219550301 211773932 /nfs/dbraw/zinc/77/39/32/211773932.db2.gz DOMNMCNNCSZOKD-JXFKEZNVSA-N 0 0 383.488 4.498 40 0 GIABRN Cc1cccc(O[C@@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1C ZINC000219311498 211769043 /nfs/dbraw/zinc/76/90/43/211769043.db2.gz XRSWGDFSAAGBHB-AWEZNQCLSA-N 0 0 385.851 4.091 40 0 GIABRN CCc1ccccc1O[C@@H](C)C(=O)N(CC)Cc1nc(-c2cccs2)no1 ZINC000219297420 211768842 /nfs/dbraw/zinc/76/88/42/211768842.db2.gz VNVAZFUXOFKXNW-AWEZNQCLSA-N 0 0 385.489 4.177 40 0 GIABRN Cc1cc(OCC(=O)N[C@H](C)CCc2ccccc2)ccc1Br ZINC000218824506 211762173 /nfs/dbraw/zinc/76/21/73/211762173.db2.gz XUWWSVZIAUJKIO-OAHLLOKOSA-N 0 0 376.294 4.274 40 0 GIABRN Brc1ccc(C2=Nc3ccccc3C(c3ccncc3)=NN2)cc1 ZINC000013556474 211700486 /nfs/dbraw/zinc/70/04/86/211700486.db2.gz KKOZHSMQVKLLFE-UHFFFAOYSA-N 0 0 377.245 4.278 40 0 GIABRN Cc1sc2[nH]c(CN(C(=O)c3cccs3)C3CCCC3)nc(=O)c2c1C ZINC000008586327 211597595 /nfs/dbraw/zinc/59/75/95/211597595.db2.gz VIPSCCHIYMLZNW-UHFFFAOYSA-N 0 0 387.530 4.248 40 0 GIABRN COc1ccccc1NC(=O)NC1(C(=O)N2CCc3ccccc32)CCCCC1 ZINC000004981954 211559726 /nfs/dbraw/zinc/55/97/26/211559726.db2.gz GOVRYDRURPMUPA-UHFFFAOYSA-N 0 0 393.487 4.109 40 0 GIABRN CCOc1ccccc1C(=O)N(CCOC)c1nnc(-c2cccc(C)c2)s1 ZINC000004982545 211559743 /nfs/dbraw/zinc/55/97/43/211559743.db2.gz AYFJLXPDJOLVBD-UHFFFAOYSA-N 0 0 397.500 4.205 40 0 GIABRN Cc1cc2c(cc(C(=O)O[C@@H](C(=O)NC3CCCC3)c3ccccc3F)n2C)o1 ZINC000004967236 211559755 /nfs/dbraw/zinc/55/97/55/211559755.db2.gz HALCCFKKPVJCLR-HXUWFJFHSA-N 0 0 398.434 4.176 40 0 GIABRN COc1cc2[nH]c(C(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)cc2c(OC)c1OC ZINC000005348265 211565623 /nfs/dbraw/zinc/56/56/23/211565623.db2.gz GNZOZZBQCMBUKA-XMHCIUCPSA-N 0 0 386.492 4.235 40 0 GIABRN COc1cc2cc3c(N)c(C(=O)NC4CCCCC4)sc3nc2cc1OC ZINC000004848864 211550066 /nfs/dbraw/zinc/55/00/66/211550066.db2.gz HNGSOWSMQNQNFB-UHFFFAOYSA-N 0 0 385.489 4.111 40 0 GIABRN Cc1ccc(C(=O)NCCNc2nc(C)nc3sc4c(c32)CCCC4)cc1 ZINC000004848559 211549072 /nfs/dbraw/zinc/54/90/72/211549072.db2.gz QREYTVZTMFKEEA-UHFFFAOYSA-N 0 0 380.517 4.029 40 0 GIABRN CCc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3ccccc3oc2=O)cc1 ZINC000004935273 211555072 /nfs/dbraw/zinc/55/50/72/211555072.db2.gz WRMCTULXROAEGO-FQEVSTJZSA-N 0 0 391.467 4.177 40 0 GIABRN Cc1cccc(NC(=O)N2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccccc2)C3)c1 ZINC000004888161 211553597 /nfs/dbraw/zinc/55/35/97/211553597.db2.gz UZWOCPDQWAGFEU-SEJPIABJSA-N 0 0 377.488 4.342 40 0 GIABRN CCCCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccncc1 ZINC000004169769 211535020 /nfs/dbraw/zinc/53/50/20/211535020.db2.gz XQUOCJJBXUGWFZ-UHFFFAOYSA-N 0 0 395.532 4.488 40 0 GIABRN Cc1ccc(C(=O)N(Cc2cc3cc(C)ccc3n3nnnc23)C2CCCC2)cc1 ZINC000001376874 211508664 /nfs/dbraw/zinc/50/86/64/211508664.db2.gz VYEYYMUWEXIUKY-UHFFFAOYSA-N 0 0 399.498 4.479 40 0 GIABRN CCc1nc2sc3c(c2c(SCC(=O)NCc2ccco2)n1)CCCC3 ZINC000001357937 211506302 /nfs/dbraw/zinc/50/63/02/211506302.db2.gz SHVQDYUDVRFCFR-UHFFFAOYSA-N 0 0 387.530 4.134 40 0 GIABRN Cc1sc2[nH]c(CN(C(=O)C3CCCCC3)C3CCCC3)nc(=O)c2c1C ZINC000001358957 211506369 /nfs/dbraw/zinc/50/63/69/211506369.db2.gz XAVWWGYJTQDMAZ-UHFFFAOYSA-N 0 0 387.549 4.453 40 0 GIABRN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C3CCCCC3)cc2)cc1 ZINC000001324628 211504037 /nfs/dbraw/zinc/50/40/37/211504037.db2.gz GGVQAXNFHLGGTJ-UHFFFAOYSA-N 0 0 386.517 4.237 40 0 GIABRN Cc1ccc(NC(=O)CSc2nnc3c4cc(Cl)ccc4[nH]c3n2)cc1 ZINC000001221557 211501785 /nfs/dbraw/zinc/50/17/85/211501785.db2.gz WCBUYPBQRNUKML-UHFFFAOYSA-N 0 0 383.864 4.199 40 0 GIABRN CC(C)CNC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000000901077 211495675 /nfs/dbraw/zinc/49/56/75/211495675.db2.gz BJJYZANJUJJQCZ-LBPRGKRZSA-N 0 0 383.439 4.415 40 0 GIABRN Cc1ccc(NC(=O)[C@H](C)Sc2nnc3c(n2)[nH]c2ccccc23)cc1C ZINC000000863267 211493125 /nfs/dbraw/zinc/49/31/25/211493125.db2.gz WAFBVQSMSJTMNA-ZDUSSCGKSA-N 0 0 377.473 4.242 40 0 GIABRN COc1ccc(-c2csc3ncn(-c4ccccc4OC)c(=O)c23)cc1OC ZINC000000798348 211489856 /nfs/dbraw/zinc/48/98/56/211489856.db2.gz NSDZLEYVRNQNSW-UHFFFAOYSA-N 0 0 394.452 4.140 40 0 GIABRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)[C@@H]([C@H](O)C(F)(F)F)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000118917779 211473633 /nfs/dbraw/zinc/47/36/33/211473633.db2.gz HTYHKJJOVXZDHV-HMQROSQSSA-N 0 0 388.470 4.108 40 0 GIABRN Cc1cc(C)c(N[C@@H]2CC(=O)N(c3ccccc3Br)C2=O)c(C)c1 ZINC000101276894 211397076 /nfs/dbraw/zinc/39/70/76/211397076.db2.gz OQDGAXAOWSNJIP-OAHLLOKOSA-N 0 0 387.277 4.118 40 0 GIABRN CCOc1ccccc1N1C(=O)C[C@H](Nc2cccc(Cl)c2Cl)C1=O ZINC000101276197 211396661 /nfs/dbraw/zinc/39/66/61/211396661.db2.gz AOPPZIRTBLZZFQ-ZDUSSCGKSA-N 0 0 379.243 4.136 40 0 GIABRN CCOc1ccccc1N[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000101277179 211396250 /nfs/dbraw/zinc/39/62/50/211396250.db2.gz ZXBWAPKICPOPHM-OAHLLOKOSA-N 0 0 379.243 4.136 40 0 GIABRN CCOC(=O)CCn1nc(-c2ccccc2OC)cc1-c1ccccc1OC ZINC000017077749 211374075 /nfs/dbraw/zinc/37/40/75/211374075.db2.gz RNNUNOILKAHCOG-UHFFFAOYSA-N 0 0 380.444 4.188 40 0 GIABRN c1ccc(CNc2ccc3c([C@@H]4CCCN4Cc4ccncc4)nnn3c2)cc1 ZINC000096267938 211328843 /nfs/dbraw/zinc/32/88/43/211328843.db2.gz GZUFLUCQTPHZQY-NRFANRHFSA-N 0 0 384.487 4.074 40 0 GIABRN O=C(c1ccc2[nH]ccc2c1)N1CCC[C@]2(C[C@H](Oc3ccccc3)CO2)C1 ZINC000096073639 211297895 /nfs/dbraw/zinc/29/78/95/211297895.db2.gz WVPNSFMSDLDCEX-REWPJTCUSA-N 0 0 376.456 4.011 40 0 GIABRN O=C(c1ccco1)N1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1 ZINC000096038204 211297218 /nfs/dbraw/zinc/29/72/18/211297218.db2.gz JQPXRZWQJKVIRC-UHFFFAOYSA-N 0 0 390.418 4.148 40 0 GIABRN Cc1nc(-c2noc3ccc(C(=O)NCc4cc(F)cc(F)c4)cc32)cs1 ZINC000096037859 211296392 /nfs/dbraw/zinc/29/63/92/211296392.db2.gz JODSFCRUIGMFML-UHFFFAOYSA-N 0 0 385.395 4.468 40 0 GIABRN Cn1c2cc(C(=O)NC3CCCCCC3)n(-c3ncccn3)c2c2ccccc21 ZINC000096037298 211296259 /nfs/dbraw/zinc/29/62/59/211296259.db2.gz PUBJQDZIIABQMV-UHFFFAOYSA-N 0 0 387.487 4.365 40 0 GIABRN O=C(OCc1ccccc1Cl)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 ZINC000016449828 211215956 /nfs/dbraw/zinc/21/59/56/211215956.db2.gz SVGOCQVBNGDLTR-QZTJIDSGSA-N 0 0 397.858 4.377 40 0 GIABRN C[C@@H]1Cc2cc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2N1 ZINC000078404026 211147572 /nfs/dbraw/zinc/14/75/72/211147572.db2.gz STBPNWOTSJIXSY-GOSISDBHSA-N 0 0 392.524 4.434 40 0 GIABRN C[C@H]1Cc2cc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2N1 ZINC000078404029 211146868 /nfs/dbraw/zinc/14/68/68/211146868.db2.gz STBPNWOTSJIXSY-SFHVURJKSA-N 0 0 392.524 4.434 40 0 GIABRN Cc1ccc(S(=O)(=O)n2ccc(C(=O)c3cccc4ccccc43)c2)cc1 ZINC000077319558 211129361 /nfs/dbraw/zinc/12/93/61/211129361.db2.gz GIFKSZBCBSWUID-UHFFFAOYSA-N 0 0 375.449 4.418 40 0 in-vitro GIABRN Cc1ccc(C(=O)N2CCCN3C(=O)c4ccccc4[C@]32c2ccccc2)cc1 ZINC000015081029 211126109 /nfs/dbraw/zinc/12/61/09/211126109.db2.gz SYZYWVRLLYEUFN-VWLOTQADSA-N 0 0 382.463 4.198 40 0 GIABRN CC(=O)Nc1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000072414595 211116820 /nfs/dbraw/zinc/11/68/20/211116820.db2.gz SOZHRXJWBZRURW-UHFFFAOYSA-N 0 0 394.663 4.373 40 0 GIABRN CC1(C)Cc2c(cnn2Cc2ccccc2)[C@@H](NC(=O)Cc2ccsc2)C1 ZINC000072396223 211110962 /nfs/dbraw/zinc/11/09/62/211110962.db2.gz LSDFBCGHNIGBHD-IBGZPJMESA-N 0 0 379.529 4.365 40 0 GIABRN CCCC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)C1 ZINC000072391064 211110138 /nfs/dbraw/zinc/11/01/38/211110138.db2.gz DDNQYKNIMMPTRG-XMMPIXPASA-N 0 0 378.516 4.003 40 0 GIABRN COc1ccc(-c2ocnc2C(=O)Nc2ncc(-c3cccnc3)s2)cc1 ZINC000072389410 211107993 /nfs/dbraw/zinc/10/79/93/211107993.db2.gz JOCWSWNFHSZTTD-UHFFFAOYSA-N 0 0 378.413 4.121 40 0 GIABRN Cc1n[nH]c(C)c1CCC(=O)N1CCCC[C@@H]1c1nc2cc(C)c(C)cc2[nH]1 ZINC000072389461 211107620 /nfs/dbraw/zinc/10/76/20/211107620.db2.gz WCJQEAQCHQRFFB-HXUWFJFHSA-N 0 0 379.508 4.206 40 0 GIABRN Cc1cc(Oc2ccccc2C)nc([C@@H]2CCCN2C(=O)c2cscn2)n1 ZINC000072384066 211107638 /nfs/dbraw/zinc/10/76/38/211107638.db2.gz QCVDDLGZFXNZID-INIZCTEOSA-N 0 0 380.473 4.320 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@H]2c2nc(C)cc(Oc3ccccc3F)n2)o1 ZINC000072384112 211107067 /nfs/dbraw/zinc/10/70/67/211107067.db2.gz TYPFBMOYSMMAPN-INIZCTEOSA-N 0 0 396.422 4.299 40 0 GIABRN Cc1cnc(Nc2cccc([C@@H]3CCCN3C(=O)COc3ccccc3)n2)s1 ZINC000072375191 211104354 /nfs/dbraw/zinc/10/43/54/211104354.db2.gz ZCCQYEAYTDVMQA-SFHVURJKSA-N 0 0 394.500 4.333 40 0 GIABRN O=C(CN1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1)Nc1nccs1 ZINC000072348883 211094694 /nfs/dbraw/zinc/09/46/94/211094694.db2.gz ICUWFWLBVYXULY-MRXNPFEDSA-N 0 0 396.491 4.162 40 0 GIABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 ZINC000072346096 211094725 /nfs/dbraw/zinc/09/47/25/211094725.db2.gz FFNRGDWVONYVCO-MRXNPFEDSA-N 0 0 384.911 4.275 40 0 GIABRN COc1cccc(-c2cncc(C3CCN(C(=O)Cc4ccccc4)CC3)n2)c1 ZINC000072359445 211100965 /nfs/dbraw/zinc/10/09/65/211100965.db2.gz CEYBIVQGJNUCGC-UHFFFAOYSA-N 0 0 387.483 4.101 40 0 GIABRN Cc1cc(Oc2ccccc2C)nc([C@H]2CCCN(C(=O)C3CCOCC3)C2)n1 ZINC000072362910 211100710 /nfs/dbraw/zinc/10/07/10/211100710.db2.gz NQTIQZRRJNRPQF-IBGZPJMESA-N 0 0 395.503 4.018 40 0 GIABRN O=C(c1cnccn1)N1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 ZINC000072357842 211099359 /nfs/dbraw/zinc/09/93/59/211099359.db2.gz RUIQHBYKANQCGP-FQEVSTJZSA-N 0 0 378.863 4.093 40 0 GIABRN O=C(c1cc[nH]n1)N1CCC(c2cccc(Cc3ccccc3Cl)n2)CC1 ZINC000072349815 211097353 /nfs/dbraw/zinc/09/73/53/211097353.db2.gz UJGHUIZBWYPTHH-UHFFFAOYSA-N 0 0 380.879 4.069 40 0 GIABRN CCn1ccnc1CN1CCC[C@@H](c2cccc(Cc3ccccc3OC)n2)C1 ZINC000072350299 211097210 /nfs/dbraw/zinc/09/72/10/211097210.db2.gz UCRKDDPHKIJEPC-HXUWFJFHSA-N 0 0 390.531 4.277 40 0 GIABRN O=C(c1ccncc1)N1CCC(c2cccc(Cc3ccccc3F)n2)CC1 ZINC000072349162 211097253 /nfs/dbraw/zinc/09/72/53/211097253.db2.gz QLROJXGMNJZOKI-UHFFFAOYSA-N 0 0 375.447 4.226 40 0 GIABRN O=C(Cc1cccnc1)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072349371 211096609 /nfs/dbraw/zinc/09/66/09/211096609.db2.gz VKKWJUVOADPFLQ-LJQANCHMSA-N 0 0 375.447 4.231 40 0 GIABRN O=C(c1cnccn1)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072349200 211096679 /nfs/dbraw/zinc/09/66/79/211096679.db2.gz KRIUIBLAFXDDMW-MRXNPFEDSA-N 0 0 378.863 4.212 40 0 GIABRN O=C(CSCc1ccc(Cl)cc1Cl)NCc1ccc2c(c1)OCO2 ZINC000069064340 211032914 /nfs/dbraw/zinc/03/29/14/211032914.db2.gz JIWZMNHMTJJGAA-UHFFFAOYSA-N 0 0 384.284 4.272 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ccccc3)cc2)cc1OC ZINC000063850999 210936252 /nfs/dbraw/zinc/93/62/52/210936252.db2.gz GGMODJMLBRJZCI-UHFFFAOYSA-N 0 0 399.468 4.321 40 0 GIABRN COc1cc(-c2nc3ccccc3s2)cc2c1OCN(C[C@@H]1CCCO1)C2 ZINC000054072993 210877646 /nfs/dbraw/zinc/87/76/46/210877646.db2.gz UMDVNMUTRNUPGC-INIZCTEOSA-N 0 0 382.485 4.303 40 0 GIABRN Cc1nccn1Cc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 ZINC000044918647 210817009 /nfs/dbraw/zinc/81/70/09/210817009.db2.gz JPBWMWZBRXWTKQ-HXUWFJFHSA-N 0 0 375.472 4.272 40 0 GIABRN COc1ccccc1[C@@H](OC(=O)c1cccs1)C(=O)NCc1cccs1 ZINC000035289909 210679387 /nfs/dbraw/zinc/67/93/87/210679387.db2.gz LCLHCWOOPRFDEI-QGZVFWFLSA-N 0 0 387.482 4.033 40 0 GIABRN Cc1nc(-c2cccnc2)sc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000022237542 210407118 /nfs/dbraw/zinc/40/71/18/210407118.db2.gz PDZWUKYWEJGNCS-UHFFFAOYSA-N 0 0 398.919 4.129 40 0 GIABRN O=C(CCc1ccc2c(c1)OCO2)Nc1nnc(SCc2ccccc2)s1 ZINC000021955203 210401685 /nfs/dbraw/zinc/40/16/85/210401685.db2.gz STZDBUUBFMZVOA-UHFFFAOYSA-N 0 0 399.497 4.130 40 0 GIABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1cccnc1 ZINC000021005605 210374432 /nfs/dbraw/zinc/37/44/32/210374432.db2.gz PPHRZIBWUOZPQI-QFIPXVFZSA-N 0 0 396.450 4.421 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1ccc(C)cc1 ZINC000408556685 533072404 /nfs/dbraw/zinc/07/24/04/533072404.db2.gz JBZAGUDDQFXEBB-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN COc1ccc([C@H]2Cc3c(c(C)nn3-c3ccc(C)cc3)C(=O)C2)cc1OC ZINC000020633041 210353800 /nfs/dbraw/zinc/35/38/00/210353800.db2.gz NWVPWQRQZFKUDF-KRWDZBQOSA-N 0 0 376.456 4.419 40 0 GIABRN COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccco4)cc3n2)cc1Cl ZINC000020610833 210352425 /nfs/dbraw/zinc/35/24/25/210352425.db2.gz PWTMZRPNIHKHKD-RMKNXTFCSA-N 0 0 394.818 4.327 40 0 GIABRN COc1ccc(-n2nc(C)c3c2C[C@@H](c2ccc(OC)cc2OC)CC3=O)cc1 ZINC000020633131 210354053 /nfs/dbraw/zinc/35/40/53/210354053.db2.gz GQXDVVCVLHKCPA-OAHLLOKOSA-N 0 0 392.455 4.119 40 0 GIABRN COc1ccc(SCC(=O)Nc2cccc(Br)c2)cc1OC ZINC000020490983 210341973 /nfs/dbraw/zinc/34/19/73/210341973.db2.gz CVASFZMCJOABES-UHFFFAOYSA-N 0 0 382.279 4.197 40 0 GIABRN CCOC(=O)c1ccc(-c2nnc(NC(=O)/C=C/c3ccc(Cl)cc3)o2)cc1 ZINC000020496100 210341003 /nfs/dbraw/zinc/34/10/03/210341003.db2.gz QTQKQRRAOJNDED-LFYBBSHMSA-N 0 0 397.818 4.219 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(F)cc2)c(Cl)c1 ZINC000020487682 210340331 /nfs/dbraw/zinc/34/03/31/210340331.db2.gz JBXREBIWIKTMBJ-QGZVFWFLSA-N 0 0 379.815 4.452 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(OC)cc2)c(Cl)c1 ZINC000020482721 210339639 /nfs/dbraw/zinc/33/96/39/210339639.db2.gz VIXWVCVSZIHXOS-GOSISDBHSA-N 0 0 391.851 4.321 40 0 GIABRN COc1ccc(S[C@H](C)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000020458867 210338557 /nfs/dbraw/zinc/33/85/57/210338557.db2.gz GFPCVKZREQNQLV-LLVKDONJSA-N 0 0 381.881 4.485 40 0 GIABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000020456951 210338078 /nfs/dbraw/zinc/33/80/78/210338078.db2.gz BBPLHOPJZVQLCE-UHFFFAOYSA-N 0 0 393.679 4.271 40 0 GIABRN Cc1cc(C(=O)N(C)C2CCCCC2)ccc1NS(=O)(=O)c1ccccc1 ZINC000020456906 210337881 /nfs/dbraw/zinc/33/78/81/210337881.db2.gz UUCKIMWEMYFJFC-UHFFFAOYSA-N 0 0 386.517 4.201 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1F ZINC000020457036 210337941 /nfs/dbraw/zinc/33/79/41/210337941.db2.gz IWCPAAVBBZEDNM-NRFANRHFSA-N 0 0 385.460 4.211 40 0 GIABRN CCOc1cccc(CNC(=O)COc2ccc(Cl)cc2Br)c1 ZINC000020455558 210336657 /nfs/dbraw/zinc/33/66/57/210336657.db2.gz BRQAJVBPAHTLSM-UHFFFAOYSA-N 0 0 398.684 4.196 40 0 GIABRN O=C(CSCc1c(F)cccc1Cl)NCc1ccccc1-n1ccnc1 ZINC000020452999 210334802 /nfs/dbraw/zinc/33/48/02/210334802.db2.gz GNDBKICQBXCZQP-UHFFFAOYSA-N 0 0 389.883 4.214 40 0 GIABRN COc1ccc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1 ZINC000020144647 210319722 /nfs/dbraw/zinc/31/97/22/210319722.db2.gz BNIJBXCGCKCMPP-UHFFFAOYSA-N 0 0 387.819 4.118 40 0 GIABRN CCOc1ccc(/C=C/C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1OC ZINC000020151150 210319463 /nfs/dbraw/zinc/31/94/63/210319463.db2.gz DGKFOOIHQXBEPL-WLRTZDKTSA-N 0 0 393.439 4.498 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC3CCCC3)c2)cc1 ZINC000020110743 210318562 /nfs/dbraw/zinc/31/85/62/210318562.db2.gz UFIXPPAGXIDNAK-UHFFFAOYSA-N 0 0 392.908 4.122 40 0 GIABRN CCCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)cc1 ZINC000020141759 210317721 /nfs/dbraw/zinc/31/77/21/210317721.db2.gz ADKUIMYLMQFZJS-UHFFFAOYSA-N 0 0 381.428 4.489 40 0 GIABRN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000020106441 210316847 /nfs/dbraw/zinc/31/68/47/210316847.db2.gz NRRJZAQOJONNMW-KRWDZBQOSA-N 0 0 380.488 4.452 40 0 GIABRN CCOc1ccc(CCC(=O)Nc2cccc(C(=O)OC)c2C)cc1OCC ZINC000020038019 210313343 /nfs/dbraw/zinc/31/33/43/210313343.db2.gz HHNLOBDNCAGPEV-UHFFFAOYSA-N 0 0 385.460 4.150 40 0 GIABRN COc1ccccc1OCc1nnc(SCC(=O)Nc2c(C)cccc2C)o1 ZINC000019928516 210309148 /nfs/dbraw/zinc/30/91/48/210309148.db2.gz UNSCRPJUGFIBAR-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN COc1cccc(-c2nnc(CSc3nnc(Cc4ccccc4)o3)o2)c1 ZINC000019929038 210308718 /nfs/dbraw/zinc/30/87/18/210308718.db2.gz NTVNRKYYAKXVAH-UHFFFAOYSA-N 0 0 380.429 4.011 40 0 GIABRN Fc1ccc(-c2nnc(CSc3nnc(COc4ccccc4)o3)o2)cc1 ZINC000019929074 210308723 /nfs/dbraw/zinc/30/87/23/210308723.db2.gz DTHMLVVGKLJFIA-UHFFFAOYSA-N 0 0 384.392 4.130 40 0 GIABRN CN1CCCc2ccc(NC(=O)c3cnn4c3nc(C3CC3)cc4C(F)F)cc21 ZINC000019715346 210285815 /nfs/dbraw/zinc/28/58/15/210285815.db2.gz QVFAYUQAPQHYLY-UHFFFAOYSA-N 0 0 397.429 4.179 40 0 GIABRN Cc1nc(-c2ccccc2F)sc1C(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000019714486 210285487 /nfs/dbraw/zinc/28/54/87/210285487.db2.gz PWWYMBGQOFHBQL-UHFFFAOYSA-N 0 0 399.476 4.367 40 0 GIABRN CCCN1CCc2cc(-c3cncn3[C@@H](C)Cc3c(C)nn(C)c3C)ccc21 ZINC000019719555 210289799 /nfs/dbraw/zinc/28/97/99/210289799.db2.gz QQZSJEGQRFUIEG-INIZCTEOSA-N 0 0 377.536 4.477 40 0 GIABRN Cc1cc2nc(CCNC(=O)c3cc4cc(F)ccc4nc3C)[nH]c2cc1C ZINC000019718124 210289521 /nfs/dbraw/zinc/28/95/21/210289521.db2.gz JZERSLLVENYMKS-UHFFFAOYSA-N 0 0 376.435 4.148 40 0 GIABRN COc1ccccc1CNc1cc([C@H](C)Cn2nc(C)c(C)c2C)nc(C)n1 ZINC000019717886 210289529 /nfs/dbraw/zinc/28/95/29/210289529.db2.gz NJXJPNKSVVHYAB-CQSZACIVSA-N 0 0 379.508 4.331 40 0 GIABRN C[C@H](C(=O)Nc1ccc2ncn(C)c2c1)n1c2ccccc2nc1C(F)(F)F ZINC000019718365 210289392 /nfs/dbraw/zinc/28/93/92/210289392.db2.gz JREXVAVALCTAKL-LLVKDONJSA-N 0 0 387.365 4.142 40 0 GIABRN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)CCc1nc2ccccc2[nH]1 ZINC000019718006 210289288 /nfs/dbraw/zinc/28/92/88/210289288.db2.gz FBBUELWECWKENP-OAHLLOKOSA-N 0 0 375.476 4.304 40 0 GIABRN CCOC1CCN(C(=O)c2cc(-c3ccccn3)nc3ccc(C)cc32)CC1 ZINC000019719130 210288444 /nfs/dbraw/zinc/28/84/44/210288444.db2.gz ZZMJQYZQZYWDGJ-UHFFFAOYSA-N 0 0 375.472 4.246 40 0 GIABRN COc1ccc2c(c1)c(C[C@@H](C)NC(=O)Cc1cccc3cccnc31)cn2C ZINC000019716230 210287911 /nfs/dbraw/zinc/28/79/11/210287911.db2.gz KTHJYGRYNKIVQB-MRXNPFEDSA-N 0 0 387.483 4.025 40 0 GIABRN CC(C)c1csc(NC(=O)c2cc(-c3ccnn3C)nc3ccccc32)n1 ZINC000019716554 210287331 /nfs/dbraw/zinc/28/73/31/210287331.db2.gz HWMZTKNNSLYPSI-UHFFFAOYSA-N 0 0 377.473 4.468 40 0 GIABRN O=C(c1c[nH]nc1-c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000019714645 210286795 /nfs/dbraw/zinc/28/67/95/210286795.db2.gz CXIJQXCHKPVJKP-LJQANCHMSA-N 0 0 389.455 4.215 40 0 GIABRN Cc1nc([C@H]2CCCN(C(=O)C(C)C)C2)nc2c1CCCN2Cc1ccccc1 ZINC000019706565 210283066 /nfs/dbraw/zinc/28/30/66/210283066.db2.gz MCVRWZNDJKGRAL-FQEVSTJZSA-N 0 0 392.547 4.100 40 0 GIABRN COc1ccc(CNc2ccc([C@H]3CCc4nncn4C3)cc2)cc1OC(C)C ZINC000019699171 210282576 /nfs/dbraw/zinc/28/25/76/210282576.db2.gz SGXGBDHSCBSNIP-IBGZPJMESA-N 0 0 392.503 4.416 40 0 GIABRN CC(C)C(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2cccc(Cl)c2)C1 ZINC000019694529 210282054 /nfs/dbraw/zinc/28/20/54/210282054.db2.gz WVZNRQXQDUTJRF-MRXNPFEDSA-N 0 0 386.927 4.225 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC(c3ccc(Cc4cccc(F)c4)cn3)CC2)o1 ZINC000019690471 210282140 /nfs/dbraw/zinc/28/21/40/210282140.db2.gz DJSPAETWVZDUTO-UHFFFAOYSA-N 0 0 393.462 4.436 40 0 GIABRN Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1ccc(Cc2ccc(C)cc2)cn1 ZINC000019688549 210280766 /nfs/dbraw/zinc/28/07/66/210280766.db2.gz UCZSQSXKFWHVQF-QHCPKHFHSA-N 0 0 389.499 4.492 40 0 GIABRN O=C(Nc1nc(-c2ccccn2)cs1)c1cc(COc2ccccc2F)on1 ZINC000019663119 210280011 /nfs/dbraw/zinc/28/00/11/210280011.db2.gz LRRVZPAYEKQTJO-UHFFFAOYSA-N 0 0 396.403 4.164 40 0 GIABRN CCn1nc([C@H](C)C(=O)Nc2cc(C)cc3cccnc32)c2ccccc2c1=O ZINC000019660580 210279725 /nfs/dbraw/zinc/27/97/25/210279725.db2.gz VPPSHANXXMBEKC-HNNXBMFYSA-N 0 0 386.455 4.015 40 0 GIABRN Cc1cccn2cc(C(=O)N(Cc3ccccc3)[C@@H]3CCOC(C)(C)C3)nc12 ZINC000019665489 210279484 /nfs/dbraw/zinc/27/94/84/210279484.db2.gz LYAYQQOGHUUORV-LJQANCHMSA-N 0 0 377.488 4.243 40 0 GIABRN CCn1ncc(-c2cc(C(=O)Nc3ccc4[nH]c(C(C)(C)C)nc4c3)on2)c1C ZINC000019665031 210279512 /nfs/dbraw/zinc/27/95/12/210279512.db2.gz IYPFLAPSUXRNII-UHFFFAOYSA-N 0 0 392.463 4.293 40 0 GIABRN Cc1cc(C)n(-c2ccc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)cc2)n1 ZINC000019659990 210276740 /nfs/dbraw/zinc/27/67/40/210276740.db2.gz GVXCXXIMCRLIDJ-UHFFFAOYSA-N 0 0 389.434 4.125 40 0 GIABRN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc(-c2cccc(F)c2)cc1 ZINC000019578575 210271159 /nfs/dbraw/zinc/27/11/59/210271159.db2.gz RCYUUNIMXNJWNG-UHFFFAOYSA-N 0 0 389.434 4.119 40 0 GIABRN Cc1nn(C)cc1-c1cc(C(=O)Nc2ccc3nc(C(C)C)sc3c2)on1 ZINC000019584112 210270758 /nfs/dbraw/zinc/27/07/58/210270758.db2.gz HQQBPCUKYZHESP-UHFFFAOYSA-N 0 0 381.461 4.369 40 0 GIABRN COc1ccccc1-c1csc(NC(=O)c2ccccc2Cn2ccnc2)n1 ZINC000019571865 210268452 /nfs/dbraw/zinc/26/84/52/210268452.db2.gz QTSWRFSNHVZETB-UHFFFAOYSA-N 0 0 390.468 4.316 40 0 GIABRN COc1ccc(-c2ccc(OC(=O)c3ccc(Br)cc3)nn2)cc1 ZINC000408527534 533181211 /nfs/dbraw/zinc/18/12/11/533181211.db2.gz FZIGIGBIBJSCHZ-UHFFFAOYSA-N 0 0 385.217 4.134 40 0 GIABRN CC(C)c1cc(C(=O)N2CCCCC[C@@H]2c2cc(C(F)(F)F)nn2C)no1 ZINC000012119647 221153661 /nfs/dbraw/zinc/15/36/61/221153661.db2.gz VCCXSGVRDSLAIG-CYBMUJFWSA-N 0 0 384.402 4.308 40 0 GIABRN CC(C)C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 ZINC000012181838 221162711 /nfs/dbraw/zinc/16/27/11/221162711.db2.gz AXIXNTOMKFUUDV-SOUVJXGZSA-N 0 0 382.499 4.066 40 0 GIABRN COc1ccc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)cc1OC ZINC000408812868 533241909 /nfs/dbraw/zinc/24/19/09/533241909.db2.gz XKQQJRCIQNRBAD-UHFFFAOYSA-N 0 0 389.884 4.429 40 0 GIABRN C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Oc1ccccc1)c1ccccc1 ZINC000408998765 533262215 /nfs/dbraw/zinc/26/22/15/533262215.db2.gz BZGLSKDXLFGOEK-GCJKJVERSA-N 0 0 388.467 4.264 40 0 GIABRN COC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408602750 533268733 /nfs/dbraw/zinc/26/87/33/533268733.db2.gz DOBHHTXPNFYGQO-HNNXBMFYSA-N 0 0 397.283 4.219 40 0 GIABRN COc1cccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c1OC ZINC000409138829 533387251 /nfs/dbraw/zinc/38/72/51/533387251.db2.gz IOXSGRMIGFMEIL-NBVRZTHBSA-N 0 0 383.469 4.373 40 0 GIABRN COc1cc(Br)cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)c1O ZINC000408808347 533487134 /nfs/dbraw/zinc/48/71/34/533487134.db2.gz FPZGVNUEBQCBHK-UHFFFAOYSA-N 0 0 381.251 4.157 40 0 GIABRN CC(C)(C)OC(=O)NC[C@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000063859408 136156551 /nfs/dbraw/zinc/15/65/51/136156551.db2.gz JQXIXVPVEQBDDW-LLVKDONJSA-N 0 0 393.837 4.495 40 0 GIABRN COc1cc2c(cc1OC)CN(c1cc(C)nc(Nc3ccccc3)n1)CC2 ZINC000244468145 136192615 /nfs/dbraw/zinc/19/26/15/136192615.db2.gz ZFKPDWYOZHIWSR-UHFFFAOYSA-N 0 0 376.460 4.109 40 0 GIABRN O=C(Nc1ccccc1N1CCN(c2ccccc2)CC1)c1ccccc1F ZINC000001362829 136193170 /nfs/dbraw/zinc/19/31/70/136193170.db2.gz FZYCRHZWQPIHEB-UHFFFAOYSA-N 0 0 375.447 4.405 40 0 GIABRN Cc1ccc(CN2C(=O)COc3cc(NC(=O)c4cccs4)ccc32)cc1 ZINC000005000953 136194409 /nfs/dbraw/zinc/19/44/09/136194409.db2.gz IJLNZLCCEMFQGT-UHFFFAOYSA-N 0 0 378.453 4.234 40 0 GIABRN Cc1nn(C)cc1/C=C1/C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O ZINC000118915998 222522964 /nfs/dbraw/zinc/52/29/64/222522964.db2.gz NGPBGXXVOJHCFZ-RCTPXYTJSA-N 0 0 396.575 4.406 40 0 GIABRN Cc1ccc(C)c([C@@H](C)NS(=O)(=O)Cc2ccc(Br)cc2)c1 ZINC000010543951 533711112 /nfs/dbraw/zinc/71/11/12/533711112.db2.gz FZFSMPYJNPHLSD-CQSZACIVSA-N 0 0 382.323 4.247 40 0 GIABRN COc1cc(C=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551359 533718961 /nfs/dbraw/zinc/71/89/61/533718961.db2.gz KJXHIESIXOMMNB-UHFFFAOYSA-N 0 0 388.634 4.485 40 0 GIABRN Cc1c(F)cccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000408999897 533889352 /nfs/dbraw/zinc/88/93/52/533889352.db2.gz SYMCJWFGRNBXRB-OAQYLSRUSA-N 0 0 376.431 4.114 40 0 GIABRN COc1ccccc1-c1nc(SCC(=O)Nc2cc(Cl)ccc2C)n[nH]1 ZINC000408711577 533919156 /nfs/dbraw/zinc/91/91/56/533919156.db2.gz BHZRQCBNLPWURS-UHFFFAOYSA-N 0 0 388.880 4.173 40 0 GIABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000408706336 533923638 /nfs/dbraw/zinc/92/36/38/533923638.db2.gz CIJVCEIHBGPVOD-LJQANCHMSA-N 0 0 380.532 4.096 40 0 GIABRN COc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCCC[C@H]2C)cc1 ZINC000408624124 533967825 /nfs/dbraw/zinc/96/78/25/533967825.db2.gz BCUCSRGQNMLUJN-OAHLLOKOSA-N 0 0 383.517 4.201 40 0 GIABRN Cc1cc(C)cc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2)c1 ZINC000408673907 534082869 /nfs/dbraw/zinc/08/28/69/534082869.db2.gz WCLXZTZWKMSKDC-LVXYXVKQSA-N 0 0 390.483 4.481 40 0 GIABRN Cc1cc(C)cc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)c2)c1 ZINC000408673584 534082225 /nfs/dbraw/zinc/08/22/25/534082225.db2.gz TYJRZTUVUXLGDJ-MAODMQOUSA-N 0 0 388.467 4.257 40 0 GIABRN Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)C(C)C ZINC000408621212 534184111 /nfs/dbraw/zinc/18/41/11/534184111.db2.gz LUGQTTSYEQMYJZ-UHFFFAOYSA-N 0 0 380.469 4.237 40 0 GIABRN COc1ccc(O)c(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)c1 ZINC000408627839 534204123 /nfs/dbraw/zinc/20/41/23/534204123.db2.gz OHONPIRHEHXBAT-XVNBXDOJSA-N 0 0 397.283 4.234 40 0 GIABRN Cc1ccsc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000409168475 534456597 /nfs/dbraw/zinc/45/65/97/534456597.db2.gz LLWRGXJJRWWGIQ-RIYZIHGNSA-N 0 0 392.889 4.385 40 0 GIABRN Cc1cccc(-n2nc(C(=O)OCC(=O)c3ccccc3)nc2-c2ccccc2)c1 ZINC000408696919 534568010 /nfs/dbraw/zinc/56/80/10/534568010.db2.gz GFQXGAWDABVYJM-UHFFFAOYSA-N 0 0 397.434 4.282 40 0 GIABRN COc1cc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc(OC)c1OC ZINC000020143277 522153138 /nfs/dbraw/zinc/15/31/38/522153138.db2.gz SUCCXSDTCXBYDC-UHFFFAOYSA-N 0 0 397.427 4.025 40 0 GIABRN CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1ccccc1C ZINC000000904833 523199169 /nfs/dbraw/zinc/19/91/69/523199169.db2.gz WCSGDMKNZMSBOA-UHFFFAOYSA-N 0 0 396.516 4.225 40 0 GIABRN Cc1cccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2)c1C ZINC000408671845 534745164 /nfs/dbraw/zinc/74/51/64/534745164.db2.gz LNKRJFXKOCAHGM-VHKYSDTDSA-N 0 0 390.483 4.481 40 0 GIABRN O=C1N/C(=C\c2cccc(Br)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000408932569 534782050 /nfs/dbraw/zinc/78/20/50/534782050.db2.gz XMLBWSAMHVACFV-DHDCSXOGSA-N 0 0 391.652 4.195 40 0 GIABRN O=C1Nc2ccccc2S/C1=C\c1cc2c(cc1Br)OCO2 ZINC000409104367 534803399 /nfs/dbraw/zinc/80/33/99/534803399.db2.gz YIBLHDIOHYUUBX-UUASQNMZSA-N 0 0 376.231 4.263 40 0 GIABRN O=C(C(=O)N1CCCC1)c1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000408567159 534806429 /nfs/dbraw/zinc/80/64/29/534806429.db2.gz GQDWGTAKKYFZGE-UHFFFAOYSA-N 0 0 384.838 4.287 40 0 GIABRN O=C(C(=O)N1CCCC1)c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC000408565632 534807372 /nfs/dbraw/zinc/80/73/72/534807372.db2.gz CPAJJUOKWGXAKR-UHFFFAOYSA-N 0 0 396.874 4.179 40 0 GIABRN Cc1ccccc1OCC(=O)N(C)Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000408714288 534824955 /nfs/dbraw/zinc/82/49/55/534824955.db2.gz NDCGHGGGYAYKNK-UHFFFAOYSA-N 0 0 393.487 4.380 40 0 GIABRN CC(=O)Nc1ccccc1SCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409180442 527095231 /nfs/dbraw/zinc/09/52/31/527095231.db2.gz SUAITEBRSMUFOJ-UHFFFAOYSA-N 0 0 393.306 4.447 40 0 GIABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)C=Cc2ccco2)c1 ZINC000006263875 527962345 /nfs/dbraw/zinc/96/23/45/527962345.db2.gz QFQNWSDHFPYQQP-VQHVLOKHSA-N 0 0 391.880 4.198 40 0 GIABRN CCCCC(=O)Nc1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000408624668 528092323 /nfs/dbraw/zinc/09/23/23/528092323.db2.gz YSURBWBNBPZULU-UHFFFAOYSA-N 0 0 386.448 4.093 40 0 GIABRN CCCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)COc2cc(C)cc(C)c2)N1 ZINC000408948712 528113589 /nfs/dbraw/zinc/11/35/89/528113589.db2.gz DFJAVURDTOYGKT-SFHVURJKSA-N 0 0 386.414 4.102 40 0 GIABRN CCOc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1Cl ZINC000409235839 528168087 /nfs/dbraw/zinc/16/80/87/528168087.db2.gz CLLIQNHHGNMKKZ-MHWRWJLKSA-N 0 0 391.254 4.485 40 0 GIABRN CCCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000408601922 528215284 /nfs/dbraw/zinc/21/52/84/528215284.db2.gz CIXCVSHRMINYRT-UHFFFAOYSA-N 0 0 394.924 4.369 40 0 GIABRN CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3)c2)CC1 ZINC000408701351 528260774 /nfs/dbraw/zinc/26/07/74/528260774.db2.gz WPJUJMWDNSBPMD-UHFFFAOYSA-N 0 0 392.908 4.013 40 0 GIABRN CCOc1cc(CNc2ccc(OC)cc2)cc(I)c1O ZINC000409113481 528285725 /nfs/dbraw/zinc/28/57/25/528285725.db2.gz GJHKDHWEQDJVEZ-UHFFFAOYSA-N 0 0 399.228 4.016 40 0 GIABRN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2Cl)CC1 ZINC000408628824 528330906 /nfs/dbraw/zinc/33/09/06/528330906.db2.gz BXIBCVSQUNIHDD-UHFFFAOYSA-N 0 0 399.922 4.268 40 0 GIABRN CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 ZINC000409162239 528369749 /nfs/dbraw/zinc/36/97/49/528369749.db2.gz YUVOLIJKIFAGDZ-LDADJPATSA-N 0 0 396.468 4.069 40 0 GIABRN CCOc1ccc(CNC(=O)c2ccccc2NC(=O)c2cccc(F)c2)cc1 ZINC000408614590 528454040 /nfs/dbraw/zinc/45/40/40/528454040.db2.gz DYZBHPHLZQNBHV-UHFFFAOYSA-N 0 0 392.430 4.407 40 0 GIABRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)ccc3O)N(C)C2=S)cc1 ZINC000409040905 528482246 /nfs/dbraw/zinc/48/22/46/528482246.db2.gz VBMYFHUXXFZCMY-WJDWOHSUSA-N 0 0 388.876 4.049 40 0 GIABRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)N(C)C2=S)cc1 ZINC000409046552 528483051 /nfs/dbraw/zinc/48/30/51/528483051.db2.gz RNLXQMYDKMPPCS-WJDWOHSUSA-N 0 0 388.876 4.049 40 0 GIABRN CCOc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccc(F)cc2)cc1 ZINC000408839983 528483070 /nfs/dbraw/zinc/48/30/70/528483070.db2.gz CBVGRHYMLYXAPX-RCCKNPSSSA-N 0 0 387.414 4.454 40 0 GIABRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(C)c3)N(C)C2=S)cc1 ZINC000409037379 528483103 /nfs/dbraw/zinc/48/31/03/528483103.db2.gz NIHYSFLUSYLGJN-AQTBWJFISA-N 0 0 382.485 4.007 40 0 GIABRN CCOc1ccc(NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000157312040 528499096 /nfs/dbraw/zinc/49/90/96/528499096.db2.gz MUTRQRCRQNJCNO-UHFFFAOYSA-N 0 0 386.757 4.335 40 0 GIABRN CCCCOC(=O)c1ccc2nc(NC(=O)COc3ccccc3)sc2c1 ZINC000020411517 528565667 /nfs/dbraw/zinc/56/56/67/528565667.db2.gz WBAROJWVOFVXHA-UHFFFAOYSA-N 0 0 384.457 4.271 40 0 GIABRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1ccccc1O)N2 ZINC000409362874 528595477 /nfs/dbraw/zinc/59/54/77/528595477.db2.gz HDHGHFIGWDRNCJ-TVZGQMOCSA-N 0 0 398.425 4.307 40 0 GIABRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1ccccc1O)N2 ZINC000409362878 528595716 /nfs/dbraw/zinc/59/57/16/528595716.db2.gz HDHGHFIGWDRNCJ-UHYGZKCKSA-N 0 0 398.425 4.307 40 0 GIABRN CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 ZINC000408673416 528607740 /nfs/dbraw/zinc/60/77/40/528607740.db2.gz WVKUKSQJGIUUFI-MRXNPFEDSA-N 0 0 381.472 4.341 40 0 GIABRN CCOC(=O)C1CCN(C(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)CC1 ZINC000409028618 528631332 /nfs/dbraw/zinc/63/13/32/528631332.db2.gz QJVSZEGTOQMRQX-OQKWZONESA-N 0 0 393.483 4.038 40 0 GIABRN CCOC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(F)cc1 ZINC000409094579 528852344 /nfs/dbraw/zinc/85/23/44/528852344.db2.gz FAGROEWUQKZAPZ-UHFFFAOYSA-N 0 0 391.855 4.382 40 0 GIABRN CCCCc1ccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 ZINC000222554092 535093152 /nfs/dbraw/zinc/09/31/52/535093152.db2.gz AJURGKZOXDHSKO-UHFFFAOYSA-N 0 0 386.517 4.212 40 0 GIABRN COc1ccc2cc(CNc3ccc(N4CCCCC4)cc3C)c(=O)[nH]c2c1 ZINC000013565085 537035450 /nfs/dbraw/zinc/03/54/50/537035450.db2.gz WZPRIVJTYOKOFW-UHFFFAOYSA-N 0 0 377.488 4.448 40 0 GIABRN CNc1ccc(-c2noc([C@@H]3CCCN3Cc3cc4ccccc4o3)n2)cn1 ZINC000035426199 560080647 /nfs/dbraw/zinc/08/06/47/560080647.db2.gz DQHRWNNSOHSSSQ-KRWDZBQOSA-N 0 0 375.432 4.257 40 0 biogenic,in-vitro GIABRN O=C([O-])c1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccc(Cl)cc4)o3)C2)cc1 ZINC000049169396 560084140 /nfs/dbraw/zinc/08/41/40/560084140.db2.gz MMRCTIORGCIXFO-INIZCTEOSA-N 0 0 383.835 4.078 40 0 biogenic,in-vitro GIABRN CC[C@H]1CN(C(=O)Nc2ccccc2)CC[C@H]1CC(=O)NCc1ccccc1 ZINC000006137854 560205409 /nfs/dbraw/zinc/20/54/09/560205409.db2.gz HQOBBYJXURZFTE-PMACEKPBSA-N 0 0 379.504 4.273 40 0 biogenic,in-vitro GIABRN CCCCCC(=O)N1CC[C@@H](CC(=O)NCc2ccc(F)cc2)[C@@H](CC)C1 ZINC000008300194 560208661 /nfs/dbraw/zinc/20/86/61/560208661.db2.gz ZFRDHDXEZQNWCE-OALUTQOASA-N 0 0 376.516 4.287 40 0 biogenic,in-vitro GIABRN CN1C[C@@H](NC(=O)CC(C)(C)C)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000012529895 560212908 /nfs/dbraw/zinc/21/29/08/560212908.db2.gz BXQHNPDDXLIQNR-OALUTQOASA-N 0 0 392.503 4.187 40 0 biogenic,in-vitro GIABRN Fc1ccc(Cl)cc1Nc1cc(-c2cccnc2)nc(NC2CCCC2)n1 ZINC000329043619 570214901 /nfs/dbraw/zinc/21/49/01/570214901.db2.gz SSPNICMIYDXKPP-UHFFFAOYSA-N 0 0 383.858 4.273 40 0 GIABRN Cc1ccc2c(c1)NC(=O)[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)O2 ZINC000005069888 570217829 /nfs/dbraw/zinc/21/78/29/570217829.db2.gz NXYNELZWCLMNAO-OAHLLOKOSA-N 0 0 398.768 4.396 40 0 GIABRN CCOc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)cc1 ZINC000205617982 570226146 /nfs/dbraw/zinc/22/61/46/570226146.db2.gz KRQJCXRUCRRQHH-QNGOZBTKSA-N 0 0 390.439 4.396 40 0 GIABRN Cc1cnc(Nc2cccc(C3CCN(C(=O)N4CCCCC4)CC3)n2)s1 ZINC000585262494 570230599 /nfs/dbraw/zinc/23/05/99/570230599.db2.gz BPGONWMMXCCDSR-UHFFFAOYSA-N 0 0 385.537 4.375 40 0 GIABRN O=C([O-])CC[N@H+](CCc1cccc(Cl)c1)C1CCN(c2ccccc2)CC1 ZINC000585264628 570231844 /nfs/dbraw/zinc/23/18/44/570231844.db2.gz GDFRHBRKWRKFOG-UHFFFAOYSA-N 0 0 386.923 4.328 40 0 GIABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)c1 ZINC000020152172 570244937 /nfs/dbraw/zinc/24/49/37/570244937.db2.gz OBYIUWUVIZHXNB-UHFFFAOYSA-N 0 0 380.469 4.183 40 0 GIABRN CCCCOc1ccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)cc1 ZINC000020528908 570255763 /nfs/dbraw/zinc/25/57/63/570255763.db2.gz MFHSURTUISEQHG-UHFFFAOYSA-N 0 0 393.472 4.284 40 0 GIABRN O=C(/C=C/c1ccco1)N1CCC[C@H](Cc2cccc(Nc3ccccn3)n2)C1 ZINC000585291358 570259802 /nfs/dbraw/zinc/25/98/02/570259802.db2.gz BLSSHXYPTHZTKC-IENJSVCTSA-N 0 0 388.471 4.308 40 0 GIABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(NC(N)=S)cc1 ZINC000001268113 570260069 /nfs/dbraw/zinc/26/00/69/570260069.db2.gz PXMBOKGELAYWOF-FARCUNLSSA-N 0 0 396.299 4.309 40 0 GIABRN O=C(/C=C/c1ccccc1)N1CCC[C@@H](Cc2cc(Nc3ccccn3)ncn2)C1 ZINC000585291403 570260323 /nfs/dbraw/zinc/26/03/23/570260323.db2.gz CEQJXCKPLQPZPV-SGWGQVFISA-N 0 0 399.498 4.110 40 0 GIABRN CNC(=O)COc1cccc([C@@H]2OC[C@@H](c3ccc(F)cc3)C[C@H]2C(C)C)c1 ZINC000585292168 570261042 /nfs/dbraw/zinc/26/10/42/570261042.db2.gz FMWLGQSOWIXRIS-HARLFGEKSA-N 0 0 385.479 4.468 40 0 GIABRN Cc1cc(Nc2ccccn2)nc([C@@H]2CCCCN2C(=O)C=Cc2ccccc2)n1 ZINC000585292991 570261963 /nfs/dbraw/zinc/26/19/63/570261963.db2.gz QUAIJIRLSDUIBX-AIGDTVQASA-N 0 0 399.498 4.113 40 0 GIABRN COc1ccc(NC(=O)CSc2nc3cc(Br)ccc3[nH]2)cc1 ZINC000020765302 570283008 /nfs/dbraw/zinc/28/30/08/570283008.db2.gz FEFZYPMDCPAARN-UHFFFAOYSA-N 0 0 392.278 4.065 40 0 GIABRN O=C(NCc1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000042646672 570303487 /nfs/dbraw/zinc/30/34/87/570303487.db2.gz XOLNRDXHBXKYKB-UHFFFAOYSA-N 0 0 391.176 4.267 40 0 GIABRN O=C(NC(=S)Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(F)cc1 ZINC000021577168 570304605 /nfs/dbraw/zinc/30/46/05/570304605.db2.gz ZJHLVRQGTGXPHT-UHFFFAOYSA-N 0 0 375.444 4.082 40 0 GIABRN O=C(NC(=S)Nc1ccc(N2CCCCC2)c(F)c1)c1ccccc1F ZINC000021577151 570304621 /nfs/dbraw/zinc/30/46/21/570304621.db2.gz FSLYQNGQVGXTDB-UHFFFAOYSA-N 0 0 375.444 4.082 40 0 GIABRN O=S1(=O)C=C(CNc2ccccc2Cl)[C@@H](Nc2ccccc2Cl)C1 ZINC000575419544 570306569 /nfs/dbraw/zinc/30/65/69/570306569.db2.gz GAUDMHCCMKQTSX-KRWDZBQOSA-N 0 0 383.300 4.198 40 0 GIABRN O=S1(=O)CC[C@H](N(c2ccccc2)C(c2ccccc2)c2ccccc2)C1 ZINC000575421882 570308184 /nfs/dbraw/zinc/30/81/84/570308184.db2.gz SKCOAIBQJUZSQK-QFIPXVFZSA-N 0 0 377.509 4.470 40 0 GIABRN CCn1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)c(=O)c2ccccc21 ZINC000022234531 570308775 /nfs/dbraw/zinc/30/87/75/570308775.db2.gz JGYORCMVZDEHTR-ZDUSSCGKSA-N 0 0 399.288 4.275 40 0 GIABRN CCn1cc(C(=O)N[C@@H](C)c2ccc(OC)cc2)c(=O)c2cc(Cl)ccc21 ZINC000022235017 570309270 /nfs/dbraw/zinc/30/92/70/570309270.db2.gz PFCDTISFEHFNEU-ZDUSSCGKSA-N 0 0 384.863 4.174 40 0 GIABRN CCn1cc(C(=O)NCCc2ccccc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236691 570309506 /nfs/dbraw/zinc/30/95/06/570309506.db2.gz FUUBNHWVURTHHX-UHFFFAOYSA-N 0 0 388.389 4.013 40 0 GIABRN COC(=O)c1ccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1 ZINC000022245358 570310242 /nfs/dbraw/zinc/31/02/42/570310242.db2.gz VYLVAAGCJWOFLQ-UHFFFAOYSA-N 0 0 381.457 4.258 40 0 GIABRN CCCc1nc2ccc(NS(=O)(=O)c3ccc(OC)c(C)c3)cc2s1 ZINC000022255145 570311212 /nfs/dbraw/zinc/31/12/12/570311212.db2.gz NFQMSWFTIZYMOO-UHFFFAOYSA-N 0 0 376.503 4.367 40 0 GIABRN Cc1cc(Cl)ccc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000022386962 570315662 /nfs/dbraw/zinc/31/56/62/570315662.db2.gz MWMJQNBPPLFADC-UHFFFAOYSA-N 0 0 394.924 4.177 40 0 GIABRN N[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000072227548 570318819 /nfs/dbraw/zinc/31/88/19/570318819.db2.gz BYNCZRIQJCBJOY-ZIAGYGMSSA-N 0 0 375.177 4.427 40 0 GIABRN N[C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000072227824 570319114 /nfs/dbraw/zinc/31/91/14/570319114.db2.gz VEVFCEWGFLLVMR-ZIAGYGMSSA-N 0 0 375.177 4.427 40 0 GIABRN COc1ccc(S[C@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)cc1OC ZINC000022515981 570319406 /nfs/dbraw/zinc/31/94/06/570319406.db2.gz ZYTVUWBWNUFKSZ-CYBMUJFWSA-N 0 0 379.909 4.496 40 0 GIABRN COc1cccc(C(=O)c2sc3nc4cc5c(cc4cc3c2N)OCO5)c1 ZINC000035315041 570324874 /nfs/dbraw/zinc/32/48/74/570324874.db2.gz DRGBWELKIZCDKY-UHFFFAOYSA-N 0 0 378.409 4.000 40 0 GIABRN CC(C)c1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 ZINC000022273246 570329797 /nfs/dbraw/zinc/32/97/97/570329797.db2.gz JDIGTRXCBNKJOO-UHFFFAOYSA-N 0 0 388.533 4.338 40 0 GIABRN CC(C)N(C(=O)CSCC1N=NC(=S)N1c1ccccc1)c1ccccc1 ZINC000026475773 570330376 /nfs/dbraw/zinc/33/03/76/570330376.db2.gz FKEMRBFYBKQUIN-UHFFFAOYSA-N 0 0 398.557 4.231 40 0 GIABRN CCOc1cccc(NC(=O)COc2cc(C)c(Br)c(C)c2)c1 ZINC000218841378 570342114 /nfs/dbraw/zinc/34/21/14/570342114.db2.gz SYWAJVDEOWHHBV-UHFFFAOYSA-N 0 0 378.266 4.482 40 0 GIABRN COc1cc(C(=O)NCCSCc2cccc(Cl)c2)cc(OC)c1OC ZINC000408576477 570342700 /nfs/dbraw/zinc/34/27/00/570342700.db2.gz VWOFJXHTHAQTFL-UHFFFAOYSA-N 0 0 395.908 4.029 40 0 GIABRN Cc1ccc(C)c(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000219077908 570347600 /nfs/dbraw/zinc/34/76/00/570347600.db2.gz ISBHSJOHYOKSIX-OAHLLOKOSA-N 0 0 399.878 4.433 40 0 GIABRN CC[C@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(OC)c(OC)c1 ZINC000219263144 570350795 /nfs/dbraw/zinc/35/07/95/570350795.db2.gz REOMUPFUFLDIFI-KRWDZBQOSA-N 0 0 377.481 4.344 40 0 GIABRN Cc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cc(C)cc(C)c3C)n2)cc1 ZINC000219303879 570352618 /nfs/dbraw/zinc/35/26/18/570352618.db2.gz XNFVTHMSADKFTM-QGZVFWFLSA-N 0 0 379.460 4.054 40 0 GIABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000219334525 570355496 /nfs/dbraw/zinc/35/54/96/570355496.db2.gz DTZMFINBHXNTDZ-HXUWFJFHSA-N 0 0 393.487 4.478 40 0 GIABRN CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1[C@H](C)Oc1ccccc1 ZINC000008090317 570356564 /nfs/dbraw/zinc/35/65/64/570356564.db2.gz BLAQKDFFIGELNU-INIZCTEOSA-N 0 0 396.516 4.477 40 0 GIABRN CC[C@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000219373539 570357219 /nfs/dbraw/zinc/35/72/19/570357219.db2.gz JAVSTRNATAEVMP-HNNXBMFYSA-N 0 0 385.489 4.231 40 0 GIABRN CC[C@@H](NC(=O)c1cc2ccccc2cc1OC)c1ccc(S(C)(=O)=O)cc1 ZINC000219394949 570358971 /nfs/dbraw/zinc/35/89/71/570358971.db2.gz MITUVKFWTCTLHI-HXUWFJFHSA-N 0 0 397.496 4.133 40 0 GIABRN CCC(C)(C)n1nnnc1[C@H](c1ccc2ncccc2c1)N1CCCCCC1 ZINC000004230703 570363378 /nfs/dbraw/zinc/36/33/78/570363378.db2.gz KJSMSTZOZKFJKA-FQEVSTJZSA-N 0 0 378.524 4.332 40 0 GIABRN COc1ccc([C@H](C)NC(=O)CCCN2c3cccc4cccc(c34)C2=O)cc1 ZINC000219470102 570363695 /nfs/dbraw/zinc/36/36/95/570363695.db2.gz TUDPJVXHWKRIAG-INIZCTEOSA-N 0 0 388.467 4.466 40 0 GIABRN COc1ccccc1-c1nnc(SC(=O)c2ccc(Br)cc2)o1 ZINC000408618700 570365447 /nfs/dbraw/zinc/36/54/47/570365447.db2.gz FCKPAXWJKYJIDW-UHFFFAOYSA-N 0 0 391.246 4.440 40 0 GIABRN COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1C)CC(C)(C)O2 ZINC000219534322 570365853 /nfs/dbraw/zinc/36/58/53/570365853.db2.gz CJSYLOFEXNJXAA-APWZRJJASA-N 0 0 383.488 4.498 40 0 GIABRN Cc1ccc(O[C@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c(C)c1 ZINC000219537197 570365930 /nfs/dbraw/zinc/36/59/30/570365930.db2.gz HOKRSKMMYGTCIX-CQSZACIVSA-N 0 0 385.851 4.091 40 0 GIABRN Cc1cc(C)cc(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000219554489 570366606 /nfs/dbraw/zinc/36/66/06/570366606.db2.gz RVKZNEMXTKMCJP-OAHLLOKOSA-N 0 0 399.878 4.433 40 0 GIABRN C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@]1(O)CC[C@H]2c1ccc(=O)oc1 ZINC000118932190 570369019 /nfs/dbraw/zinc/36/90/19/570369019.db2.gz OVUOVMIMOCJILI-XYDMOHMCSA-N 0 0 384.516 4.162 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000023685238 570369209 /nfs/dbraw/zinc/36/92/09/570369209.db2.gz RYUAIYZEQJDSKQ-UHFFFAOYSA-N 0 0 375.852 4.442 40 0 GIABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cc(C)cc(C)c1O ZINC000408619785 570370041 /nfs/dbraw/zinc/37/00/41/570370041.db2.gz HKBNSEPTRFAVPE-UHFFFAOYSA-N 0 0 399.299 4.451 40 0 GIABRN Cc1cc(NC[C@H](O)c2cccc(O)c2)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000057710126 570370505 /nfs/dbraw/zinc/37/05/05/570370505.db2.gz RSVJOBREQBRMEE-IBGZPJMESA-N 0 0 394.862 4.209 40 0 GIABRN Cc1ccnc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000408625483 570377047 /nfs/dbraw/zinc/37/70/47/570377047.db2.gz YHTXPKPZKQPBHL-UHFFFAOYSA-N 0 0 377.469 4.096 40 0 GIABRN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)C(C)C)cc3O)nc2c1 ZINC000408625575 570377081 /nfs/dbraw/zinc/37/70/81/570377081.db2.gz DWYPHBRBQPVZOH-UHFFFAOYSA-N 0 0 383.473 4.232 40 0 GIABRN Cc1ccc2oc(-c3cc(NC(=S)NC(=O)C(C)(C)C)ccc3O)nc2c1 ZINC000408626565 570379016 /nfs/dbraw/zinc/37/90/16/570379016.db2.gz IDFQDVDMFFFGIR-UHFFFAOYSA-N 0 0 383.473 4.368 40 0 GIABRN O=C(Cc1ccccc1)NC(=S)Nc1ccc(Br)cc1Cl ZINC000408627641 570380227 /nfs/dbraw/zinc/38/02/27/570380227.db2.gz MXJYSFCHAUGOPH-UHFFFAOYSA-N 0 0 383.698 4.158 40 0 GIABRN Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(N2CCCC[C@@H]2C)cc1 ZINC000408628952 570380806 /nfs/dbraw/zinc/38/08/06/570380806.db2.gz YPACJOULITZJQB-KRWDZBQOSA-N 0 0 397.544 4.266 40 0 GIABRN C[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc2c(c1)CCCC2 ZINC000024316476 570382076 /nfs/dbraw/zinc/38/20/76/570382076.db2.gz QDWIMQGBVRKIMH-QGZVFWFLSA-N 0 0 376.500 4.179 40 0 GIABRN CCc1ccc(N([C@@H](C)C(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000220269976 570384190 /nfs/dbraw/zinc/38/41/90/570384190.db2.gz CXCBJFBEFQKIHN-AWEZNQCLSA-N 0 0 394.924 4.004 40 0 GIABRN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O ZINC000220476902 570387124 /nfs/dbraw/zinc/38/71/24/570387124.db2.gz VIGYPIPBMMJCNL-HNNXBMFYSA-N 0 0 392.496 4.051 40 0 GIABRN CC[C@H](C(=O)Nc1ccc(Cl)cc1C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220502590 570387492 /nfs/dbraw/zinc/38/74/92/570387492.db2.gz WIBGDUVDBFLFCU-GOSISDBHSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@@H](C(=O)Nc1ccccc1Cl)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220530155 570388137 /nfs/dbraw/zinc/38/81/37/570388137.db2.gz ZOWPSZROMPTKSH-KRWDZBQOSA-N 0 0 394.924 4.140 40 0 GIABRN CCc1ccc(NC(=O)[C@@H](CC)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000220562462 570388429 /nfs/dbraw/zinc/38/84/29/570388429.db2.gz QHLJRGAVXWKHLW-HXUWFJFHSA-N 0 0 388.533 4.049 40 0 GIABRN CCc1ccccc1NC(=O)[C@H](CC)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220558675 570388470 /nfs/dbraw/zinc/38/84/70/570388470.db2.gz NERUMPXOBYXMHA-FQEVSTJZSA-N 0 0 388.533 4.049 40 0 GIABRN O=C(Cc1ccc(Cl)cc1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000024931257 570399287 /nfs/dbraw/zinc/39/92/87/570399287.db2.gz OMCYYKKLLIZEQD-FQEVSTJZSA-N 0 0 379.891 4.321 40 0 GIABRN O=C([C@H]1COc2ccccc2O1)N(Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000032594226 570408753 /nfs/dbraw/zinc/40/87/53/570408753.db2.gz PZSGNULHXFBAEV-HXUWFJFHSA-N 0 0 383.831 4.302 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc21 ZINC000222393818 570409559 /nfs/dbraw/zinc/40/95/59/570409559.db2.gz AXZXZVGMRXLGOZ-IBGZPJMESA-N 0 0 388.511 4.244 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 ZINC000222412053 570409947 /nfs/dbraw/zinc/40/99/47/570409947.db2.gz WWDRECLUBZNCQQ-HSZRJFAPSA-N 0 0 394.559 4.486 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 ZINC000222457374 570411262 /nfs/dbraw/zinc/41/12/62/570411262.db2.gz KBWFCAATOMAUQW-JOCHJYFZSA-N 0 0 380.532 4.178 40 0 GIABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c[nH]c4ccccc34)C2=O)cc1 ZINC000038180455 570411350 /nfs/dbraw/zinc/41/13/50/570411350.db2.gz QGNRIEDWIXGMPB-VCHYOVAHSA-N 0 0 391.452 4.151 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl ZINC000222529330 570413498 /nfs/dbraw/zinc/41/34/98/570413498.db2.gz POMWEERIZXUKJG-CQSZACIVSA-N 0 0 393.314 4.089 40 0 GIABRN CCCOc1cc2c(cc1[C@H]1[C@@H](c3ccccn3)N=C3S[C@@H](C)CN31)OCO2 ZINC000222567268 570414813 /nfs/dbraw/zinc/41/48/13/570414813.db2.gz IKIPGGZFXIEIDM-SVIJTADQSA-N 0 0 397.500 4.188 40 0 GIABRN CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1O ZINC000222577050 570415166 /nfs/dbraw/zinc/41/51/66/570415166.db2.gz URJXNLZKVXVIKL-YMRXKLBXSA-N 0 0 389.908 4.429 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1F ZINC000222626456 570417658 /nfs/dbraw/zinc/41/76/58/570417658.db2.gz BYRZPWACVNTCKU-AVRDEDQJSA-N 0 0 398.522 4.133 40 0 GIABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1ccc2c(c1)OCCO2 ZINC000222645240 570418432 /nfs/dbraw/zinc/41/84/32/570418432.db2.gz YDSUCTWMVYOIAB-GOSISDBHSA-N 0 0 381.472 4.117 40 0 GIABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3cccnc3)N21 ZINC000222670887 570419768 /nfs/dbraw/zinc/41/97/68/570419768.db2.gz FVAZVMPPMJHMDD-RYGJVYDSSA-N 0 0 375.501 4.247 40 0 GIABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000222700920 570421351 /nfs/dbraw/zinc/42/13/51/570421351.db2.gz OKWICJRBOVDNHA-HZPDHXFCSA-N 0 0 377.440 4.256 40 0 GIABRN CCOc1ccc(CNC(=O)CSCc2ccccc2F)cc1OCC ZINC000222705705 570421652 /nfs/dbraw/zinc/42/16/52/570421652.db2.gz YMMSEUGEVWKQPG-UHFFFAOYSA-N 0 0 377.481 4.173 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222771044 570424998 /nfs/dbraw/zinc/42/49/98/570424998.db2.gz MLYANLWAFHGJDR-HXUWFJFHSA-N 0 0 394.559 4.486 40 0 GIABRN O=C(COC(=O)CCC(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000007396120 570425597 /nfs/dbraw/zinc/42/55/97/570425597.db2.gz CUEIQQIIDKNJHT-UHFFFAOYSA-N 0 0 380.227 4.138 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222783682 570425842 /nfs/dbraw/zinc/42/58/42/570425842.db2.gz LLXDWMYPZKYYOR-LJQANCHMSA-N 0 0 380.532 4.178 40 0 GIABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(Br)cs1 ZINC000222814670 570427390 /nfs/dbraw/zinc/42/73/90/570427390.db2.gz ZOUZUSYYECQKTL-UONOGXRCSA-N 0 0 382.352 4.287 40 0 GIABRN O=S(=O)(Cc1cccc(Br)c1)NCc1ccc2ccccc2c1 ZINC000222816418 570427425 /nfs/dbraw/zinc/42/74/25/570427425.db2.gz RTDWXZCBOYTBDQ-UHFFFAOYSA-N 0 0 390.302 4.222 40 0 GIABRN COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C(C)C ZINC000222820564 570427633 /nfs/dbraw/zinc/42/76/33/570427633.db2.gz KUHNTOUCEFGLBJ-LEWJYISDSA-N 0 0 392.528 4.262 40 0 GIABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000222821880 570427640 /nfs/dbraw/zinc/42/76/40/570427640.db2.gz PFVQJBIBQHMERI-ZDUSSCGKSA-N 0 0 379.287 4.047 40 0 GIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 ZINC000222859181 570429379 /nfs/dbraw/zinc/42/93/79/570429379.db2.gz KKQYJAAQSKFJKI-KBPBESRZSA-N 0 0 382.352 4.288 40 0 GIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F ZINC000222885925 570429741 /nfs/dbraw/zinc/42/97/41/570429741.db2.gz JQHWEFHGNQOOMW-VQTJNVASSA-N 0 0 380.492 4.394 40 0 GIABRN COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c(OC)c1OC ZINC000222908590 570430834 /nfs/dbraw/zinc/43/08/34/570430834.db2.gz WYCJCVTXYICTIK-GRNBYLDVSA-N 0 0 395.499 4.482 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000222932597 570432002 /nfs/dbraw/zinc/43/20/02/570432002.db2.gz OWYPQAWEYHNOGC-HSZRJFAPSA-N 0 0 394.559 4.220 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSc1ccccc1 ZINC000222948217 570432593 /nfs/dbraw/zinc/43/25/93/570432593.db2.gz KTLYIZZYENJJMN-SFHVURJKSA-N 0 0 384.545 4.112 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CSCc1ccccc1C ZINC000222967692 570433751 /nfs/dbraw/zinc/43/37/51/570433751.db2.gz HNJCPSKIEXVVQX-NRFANRHFSA-N 0 0 398.572 4.090 40 0 GIABRN O=C(COc1ccc(Cl)cc1)NCCNc1ccnc2cc(Cl)ccc21 ZINC000222971772 570434110 /nfs/dbraw/zinc/43/41/10/570434110.db2.gz AJQUHNSMVATXIC-UHFFFAOYSA-N 0 0 390.270 4.149 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCSCc1ccccc1 ZINC000223001692 570436705 /nfs/dbraw/zinc/43/67/05/570436705.db2.gz CMMWIZFZFYPYCC-NRFANRHFSA-N 0 0 398.572 4.172 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCSCc1ccccc1 ZINC000223001749 570436731 /nfs/dbraw/zinc/43/67/31/570436731.db2.gz CMMWIZFZFYPYCC-OAQYLSRUSA-N 0 0 398.572 4.172 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(C)cc1 ZINC000223015151 570437535 /nfs/dbraw/zinc/43/75/35/570437535.db2.gz RMTOZLVRWMCXJT-OAQYLSRUSA-N 0 0 398.572 4.090 40 0 GIABRN COc1cc2c(cc1S(=O)(=O)NCc1cccc(C(F)(F)F)c1)CCCC2 ZINC000223030303 570438561 /nfs/dbraw/zinc/43/85/61/570438561.db2.gz MLEUFLWMEIUJIQ-UHFFFAOYSA-N 0 0 399.434 4.071 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1nc(-c2cccs2)no1 ZINC000223034649 570438652 /nfs/dbraw/zinc/43/86/52/570438652.db2.gz KZYNTMBFEZOCEZ-CQSZACIVSA-N 0 0 391.880 4.234 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C ZINC000223035120 570438959 /nfs/dbraw/zinc/43/89/59/570438959.db2.gz UZFRKZBUVNGMIP-OAQYLSRUSA-N 0 0 394.559 4.488 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 ZINC000223044186 570439514 /nfs/dbraw/zinc/43/95/14/570439514.db2.gz LLBAHFDZFYMBKI-QFIPXVFZSA-N 0 0 396.531 4.016 40 0 GIABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C(C)C)c1C ZINC000223049140 570439965 /nfs/dbraw/zinc/43/99/65/570439965.db2.gz VKYASIMXSPCVRD-UXHICEINSA-N 0 0 386.565 4.090 40 0 GIABRN Brc1ccc2c(c1)C(c1cccnc1)=NNC(c1cccs1)=N2 ZINC000005448527 570440388 /nfs/dbraw/zinc/44/03/88/570440388.db2.gz FQAMLOZRIYPJBS-UHFFFAOYSA-N 0 0 383.274 4.340 40 0 GIABRN CC[C@@H](NS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc2c(c1)CCCC2 ZINC000223058987 570440722 /nfs/dbraw/zinc/44/07/22/570440722.db2.gz PRWOEQJAOUSNDC-LJQANCHMSA-N 0 0 389.517 4.012 40 0 GIABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 ZINC000223069499 570441539 /nfs/dbraw/zinc/44/15/39/570441539.db2.gz PPXRONSWEHAZCE-LEWJYISDSA-N 0 0 393.512 4.351 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1 ZINC000223090385 570442416 /nfs/dbraw/zinc/44/24/16/570442416.db2.gz YERULSMPJAGBRH-HXUWFJFHSA-N 0 0 396.531 4.016 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1 ZINC000223090856 570442526 /nfs/dbraw/zinc/44/25/26/570442526.db2.gz FWRGFHQXWHEYGU-ROUUACIJSA-N 0 0 384.495 4.090 40 0 GIABRN CC(=O)N[C@H](C)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000005532078 570444790 /nfs/dbraw/zinc/44/47/90/570444790.db2.gz XOGINIBFEOBXAM-GSVOUGTGSA-N 0 0 379.454 4.384 40 0 GIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C ZINC000223130025 570445592 /nfs/dbraw/zinc/44/55/92/570445592.db2.gz GOKYRGOTAIUDTC-HXUWFJFHSA-N 0 0 386.923 4.072 40 0 GIABRN CCCCC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)o2)cc1 ZINC000039743886 570446980 /nfs/dbraw/zinc/44/69/80/570446980.db2.gz ZDHMJRVGKUSOKR-UHFFFAOYSA-N 0 0 394.431 4.126 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 ZINC000223224151 570450978 /nfs/dbraw/zinc/45/09/78/570450978.db2.gz XSNDVWZNBATZLS-OAQYLSRUSA-N 0 0 396.531 4.096 40 0 GIABRN C[C@@H](CNC(=O)C12CC3CC(CC(C3)C1)C2)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005676644 570451087 /nfs/dbraw/zinc/45/10/87/570451087.db2.gz UKSZEFOHGSIMLV-MVWFNDIXSA-N 0 0 398.591 4.040 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc2ccccc2c1 ZINC000028189339 570451945 /nfs/dbraw/zinc/45/19/45/570451945.db2.gz MEUWWJSQTQKRSH-UHFFFAOYSA-N 0 0 393.468 4.379 40 0 GIABRN CCCCCOc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c2ccccc12 ZINC000028251917 570453227 /nfs/dbraw/zinc/45/32/27/570453227.db2.gz KCOPOXIUENAZHR-IAGOWNOFSA-N 0 0 391.533 4.207 40 0 GIABRN O=C(CSc1nnc2c3cc(F)ccc3[nH]c2n1)Nc1ccccc1Cl ZINC000035290096 570456414 /nfs/dbraw/zinc/45/64/14/570456414.db2.gz JRFXTAHDFGKOMW-UHFFFAOYSA-N 0 0 387.827 4.029 40 0 GIABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2cccc(C)c2)cc1 ZINC000223295034 570456774 /nfs/dbraw/zinc/45/67/74/570456774.db2.gz AZPBSHIZLQANQD-ZHZULCJRSA-N 0 0 376.412 4.006 40 0 GIABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1C(C)C ZINC000223305444 570457629 /nfs/dbraw/zinc/45/76/29/570457629.db2.gz KRIVJEHMIOMHNS-DZFGPLHGSA-N 0 0 398.576 4.232 40 0 GIABRN CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 ZINC000223334250 570458972 /nfs/dbraw/zinc/45/89/72/570458972.db2.gz RDKJDPXJZSEFSD-XMMPIXPASA-N 0 0 386.495 4.401 40 0 GIABRN CCc1cc2cc(C)ccc2nc1SCC(=O)NCc1ccc2c(c1)OCO2 ZINC000035291437 570460074 /nfs/dbraw/zinc/46/00/74/570460074.db2.gz XAZRXLFESWGKKN-UHFFFAOYSA-N 0 0 394.496 4.243 40 0 GIABRN COc1ccc([C@H]2[C@H]3CCC[C@H](C3=O)[C@H](c3ccc(OC)cc3)N2N=O)cc1 ZINC000005882866 570460101 /nfs/dbraw/zinc/46/01/01/570460101.db2.gz QWNRHWNQHLYNSX-WOZUAGRISA-N 0 0 380.444 4.469 40 0 GIABRN CCc1nnc(NC(=O)c2sc3nc4c(C)cc(C)cc4cc3c2N)s1 ZINC000035292376 570461515 /nfs/dbraw/zinc/46/15/15/570461515.db2.gz KIACHTDAVWPZGD-UHFFFAOYSA-N 0 0 383.502 4.315 40 0 GIABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)o2)cc1 ZINC000223407830 570464250 /nfs/dbraw/zinc/46/42/50/570464250.db2.gz IQZASWOQDRWMBD-PMACEKPBSA-N 0 0 379.485 4.164 40 0 GIABRN O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)c1cccc(Cl)c1 ZINC000006045189 570464923 /nfs/dbraw/zinc/46/49/23/570464923.db2.gz LNBPOIBPOUYHRR-UHFFFAOYSA-N 0 0 386.860 4.219 40 0 GIABRN COc1cccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)c1 ZINC000006043633 570464998 /nfs/dbraw/zinc/46/49/98/570464998.db2.gz IISDEBDTDAZNSL-UHFFFAOYSA-N 0 0 376.412 4.234 40 0 GIABRN COc1ccc(NC(=S)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(OC)c1 ZINC000035310806 570465745 /nfs/dbraw/zinc/46/57/45/570465745.db2.gz GXWOUJCFTXTAOJ-AWEZNQCLSA-N 0 0 396.516 4.157 40 0 GIABRN O=C(CCCSc1ccc(Cl)cc1)NC[C@@H]1COc2ccccc2O1 ZINC000028910219 570466199 /nfs/dbraw/zinc/46/61/99/570466199.db2.gz ANKMVZBYHYBKHZ-OAHLLOKOSA-N 0 0 377.893 4.169 40 0 GIABRN Cc1cccc(NC(=O)N2[C@@H]3CCC[C@H]2CC(NC(=O)c2cccc(F)c2)C3)c1 ZINC000035312801 570467904 /nfs/dbraw/zinc/46/79/04/570467904.db2.gz BKYJTPJJZCOJLQ-SEJPIABJSA-N 0 0 395.478 4.482 40 0 GIABRN Cc1c(C)n(C(=O)CSc2nnc(-c3ccc(O)cc3)o2)c2ccccc12 ZINC000035313296 570468196 /nfs/dbraw/zinc/46/81/96/570468196.db2.gz BQAAJMLXHSQRJV-UHFFFAOYSA-N 0 0 379.441 4.446 40 0 GIABRN CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccccn1 ZINC000223544883 570470484 /nfs/dbraw/zinc/47/04/84/570470484.db2.gz AKCGOSDTNXYOCN-PMACEKPBSA-N 0 0 377.517 4.032 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223561024 570471254 /nfs/dbraw/zinc/47/12/54/570471254.db2.gz NIRKWQHOEGAEIQ-OAQYLSRUSA-N 0 0 394.559 4.222 40 0 GIABRN Cc1nccn1Cc1ccc(C(=O)NCCOc2cccc3ccccc32)cc1 ZINC000223577038 570472402 /nfs/dbraw/zinc/47/24/02/570472402.db2.gz OIFQITDAHOODLE-UHFFFAOYSA-N 0 0 385.467 4.202 40 0 GIABRN O=C(Nc1ccc(Br)c(Cl)c1)c1cccc(N2CCCC2=O)c1 ZINC000223582418 570472716 /nfs/dbraw/zinc/47/27/16/570472716.db2.gz CYERBEKOLAAZOX-UHFFFAOYSA-N 0 0 393.668 4.482 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 ZINC000223606102 570474206 /nfs/dbraw/zinc/47/42/06/570474206.db2.gz GXMXCVGTNBZVNB-OAQYLSRUSA-N 0 0 384.495 4.092 40 0 GIABRN COc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000029761772 570479368 /nfs/dbraw/zinc/47/93/68/570479368.db2.gz OMEBFTKOSGWOTP-UHFFFAOYSA-N 0 0 376.456 4.487 40 0 GIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)NCCOc1ccccc1C(C)(C)C ZINC000223714596 570481012 /nfs/dbraw/zinc/48/10/12/570481012.db2.gz IDMJZHAIAUAMIJ-FQEVSTJZSA-N 0 0 385.504 4.345 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1F ZINC000223718916 570481125 /nfs/dbraw/zinc/48/11/25/570481125.db2.gz RQLOHTFZXJDATK-NRFANRHFSA-N 0 0 398.522 4.133 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl ZINC000223725202 570481583 /nfs/dbraw/zinc/48/15/83/570481583.db2.gz CFMRJUOYSQAZBP-AWEZNQCLSA-N 0 0 393.314 4.089 40 0 GIABRN CCOc1ccccc1CN(C)S(=O)(=O)c1ccc(OC)c(C(C)C)c1 ZINC000223741104 570482318 /nfs/dbraw/zinc/48/23/18/570482318.db2.gz ZYXZUZOLGNCGTG-UHFFFAOYSA-N 0 0 377.506 4.038 40 0 GIABRN CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccco1 ZINC000000796997 570482298 /nfs/dbraw/zinc/48/22/98/570482298.db2.gz AHWCMFPLDXNMPG-UHFFFAOYSA-N 0 0 376.869 4.251 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223745636 570482684 /nfs/dbraw/zinc/48/26/84/570482684.db2.gz LJOGOQFVNIDJCY-JOCHJYFZSA-N 0 0 398.522 4.400 40 0 GIABRN Cc1cc(C)cc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223756311 570483385 /nfs/dbraw/zinc/48/33/85/570483385.db2.gz MYPYMIZNTXLJOH-FQEVSTJZSA-N 0 0 392.543 4.322 40 0 GIABRN c1csc([C@H](CNc2nnnn2-c2ccccc2)c2c[nH]c3ccccc32)c1 ZINC000006587332 570484410 /nfs/dbraw/zinc/48/44/10/570484410.db2.gz ROYYMSSMKJJQSR-GOSISDBHSA-N 0 0 386.484 4.449 40 0 GIABRN Cc1ccccc1NC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCCC2 ZINC000000818423 570484566 /nfs/dbraw/zinc/48/45/66/570484566.db2.gz LBPWSDXXMHNZIJ-UHFFFAOYSA-N 0 0 381.423 4.413 40 0 GIABRN Cc1ccc(OCC(=O)NC(=S)Nc2ccccc2N2CCCCC2)c(C)c1 ZINC000006613365 570484874 /nfs/dbraw/zinc/48/48/74/570484874.db2.gz YASZQECOCFHIEZ-UHFFFAOYSA-N 0 0 397.544 4.186 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223814353 570485734 /nfs/dbraw/zinc/48/57/34/570485734.db2.gz WHJWVABBEBTKMV-HXUWFJFHSA-N 0 0 392.543 4.322 40 0 GIABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 ZINC000223814601 570485844 /nfs/dbraw/zinc/48/58/44/570485844.db2.gz NRQQMZPOMCOUEN-KRWDZBQOSA-N 0 0 398.934 4.359 40 0 GIABRN O=C(OCc1cnc(-c2cccc(F)c2)nc1)c1snnc1-c1cccs1 ZINC000223848365 570487084 /nfs/dbraw/zinc/48/70/84/570487084.db2.gz JYCDVYTTZAZURU-UHFFFAOYSA-N 0 0 398.444 4.220 40 0 GIABRN COc1ccc(CNC(=S)Nc2ccc(N3Cc4ccccc4C3)nc2)cc1 ZINC000223927296 570490541 /nfs/dbraw/zinc/49/05/41/570490541.db2.gz YDDMQNAUZLAKEI-UHFFFAOYSA-N 0 0 390.512 4.097 40 0 GIABRN Cc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC000223925610 570490638 /nfs/dbraw/zinc/49/06/38/570490638.db2.gz DAIUSQFWVZPWKZ-UHFFFAOYSA-N 0 0 394.496 4.068 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(C(C)C)C(C)C)c2)cc1 ZINC000223954927 570491768 /nfs/dbraw/zinc/49/17/68/570491768.db2.gz YWUWGUCNZSBVST-UHFFFAOYSA-N 0 0 388.533 4.206 40 0 GIABRN O=S(=O)(NCCOc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl ZINC000223979913 570492907 /nfs/dbraw/zinc/49/29/07/570492907.db2.gz XRBDMAXXBGIQLU-UHFFFAOYSA-N 0 0 380.680 4.004 40 0 GIABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1 ZINC000224017905 570494928 /nfs/dbraw/zinc/49/49/28/570494928.db2.gz KUMCCGWJMPRAJX-MRXNPFEDSA-N 0 0 386.923 4.215 40 0 GIABRN Cc1cc(C)nc(NC(=S)NCC2(c3cccc(Cl)c3)CCOCC2)c1 ZINC000224021919 570494974 /nfs/dbraw/zinc/49/49/74/570494974.db2.gz NEYMAUQWZANDMJ-UHFFFAOYSA-N 0 0 389.952 4.387 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000224079995 570497604 /nfs/dbraw/zinc/49/76/04/570497604.db2.gz SAPUCGBNSVYNKB-KRWDZBQOSA-N 0 0 384.495 4.009 40 0 GIABRN Cc1cc(C)cc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224110973 570499368 /nfs/dbraw/zinc/49/93/68/570499368.db2.gz REICXHKOJVRCCN-FQEVSTJZSA-N 0 0 380.532 4.035 40 0 GIABRN COc1ccc(CSCC(=O)NCCOc2ccc(C)c(Cl)c2)cc1 ZINC000224120613 570499757 /nfs/dbraw/zinc/49/97/57/570499757.db2.gz IVYKOFIOISEJSO-UHFFFAOYSA-N 0 0 379.909 4.085 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)cc1C ZINC000224131970 570500030 /nfs/dbraw/zinc/50/00/30/570500030.db2.gz XYAIWHULBYFTTR-OAQYLSRUSA-N 0 0 394.559 4.344 40 0 GIABRN O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(Br)cc1 ZINC000007069754 570500389 /nfs/dbraw/zinc/50/03/89/570500389.db2.gz AWDSMMLELUSHDM-UHFFFAOYSA-N 0 0 390.212 4.210 40 0 GIABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 ZINC000224153590 570501234 /nfs/dbraw/zinc/50/12/34/570501234.db2.gz YGSQVUIKNDVPPB-QFIPXVFZSA-N 0 0 396.506 4.234 40 0 GIABRN Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 ZINC000030942607 570501394 /nfs/dbraw/zinc/50/13/94/570501394.db2.gz ZNQGLPYGJBJEDM-UHFFFAOYSA-N 0 0 390.487 4.020 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 ZINC000224167355 570501725 /nfs/dbraw/zinc/50/17/25/570501725.db2.gz LEUVNTIAPJAQOU-QFIPXVFZSA-N 0 0 380.532 4.098 40 0 GIABRN Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1 ZINC000224166200 570501730 /nfs/dbraw/zinc/50/17/30/570501730.db2.gz ATHMAALFJZVYSN-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224167884 570501945 /nfs/dbraw/zinc/50/19/45/570501945.db2.gz RQISMNIVTNJSFA-FQEVSTJZSA-N 0 0 380.532 4.035 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1OC ZINC000007307184 570502654 /nfs/dbraw/zinc/50/26/54/570502654.db2.gz VWVGEKJIIFKQRP-JOCHJYFZSA-N 0 0 397.496 4.080 40 0 GIABRN CCC(C)(C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000224182273 570502722 /nfs/dbraw/zinc/50/27/22/570502722.db2.gz MREGKNFJCFHXBZ-UHFFFAOYSA-N 0 0 394.924 4.084 40 0 GIABRN COC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)C(C)C ZINC000000871984 570502940 /nfs/dbraw/zinc/50/29/40/570502940.db2.gz ZYAVNQCQJBWOMF-UHFFFAOYSA-N 0 0 388.489 4.307 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224193901 570503234 /nfs/dbraw/zinc/50/32/34/570503234.db2.gz ZHSRFLFTFNQPNG-NRFANRHFSA-N 0 0 394.559 4.426 40 0 GIABRN COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(C)cc1 ZINC000224198183 570503276 /nfs/dbraw/zinc/50/32/76/570503276.db2.gz RIGUMUCYSIKXIM-NHCUHLMSSA-N 0 0 392.528 4.015 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 ZINC000224208388 570503650 /nfs/dbraw/zinc/50/36/50/570503650.db2.gz JCBDAFFXLPATLU-JOCHJYFZSA-N 0 0 380.532 4.180 40 0 GIABRN CCc1ccc(OCc2nnc(SCC(=O)OC3CCCCC3)o2)cc1 ZINC000000875981 570504088 /nfs/dbraw/zinc/50/40/88/570504088.db2.gz FNFLPXZZGUMOLB-UHFFFAOYSA-N 0 0 376.478 4.179 40 0 GIABRN Cc1cccc([C@H]2C[C@]3(CC(C)(C)NC(=S)N3)Oc3cc(O)cc(C)c32)c1 ZINC000000881930 570507825 /nfs/dbraw/zinc/50/78/25/570507825.db2.gz AJDISCJAOFSJGQ-VGOFRKELSA-N 0 0 382.529 4.266 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 ZINC000224310252 570508576 /nfs/dbraw/zinc/50/85/76/570508576.db2.gz YUAHEYODVLTUTL-FQEVSTJZSA-N 0 0 386.923 4.134 40 0 GIABRN CC1(C)Cc2ccccc2-c2nnc(SCC(=O)OCc3ccccc3)n21 ZINC000000882961 570508752 /nfs/dbraw/zinc/50/87/52/570508752.db2.gz GYXOKHMQAZMCLB-UHFFFAOYSA-N 0 0 379.485 4.072 40 0 GIABRN CCCCNC(=O)c1cc(N(C)S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000224342568 570510235 /nfs/dbraw/zinc/51/02/35/570510235.db2.gz QTBYJVNSMKFYQU-UHFFFAOYSA-N 0 0 394.924 4.003 40 0 GIABRN CCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1COc1ccccc1 ZINC000224364943 570510765 /nfs/dbraw/zinc/51/07/65/570510765.db2.gz QABOYGPNFGQBFD-UHFFFAOYSA-N 0 0 390.439 4.016 40 0 GIABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000224367079 570510855 /nfs/dbraw/zinc/51/08/55/570510855.db2.gz BVNJSQRZXOZQFK-QFIPXVFZSA-N 0 0 396.506 4.234 40 0 GIABRN Cc1ccc(C)c(OCC(=O)Nc2nnc(SCc3ccccc3)s2)c1 ZINC000007688086 570512813 /nfs/dbraw/zinc/51/28/13/570512813.db2.gz BQHKDWOMYZZYKH-UHFFFAOYSA-N 0 0 385.514 4.465 40 0 GIABRN CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSc1ccccc1 ZINC000224484678 570515214 /nfs/dbraw/zinc/51/52/14/570515214.db2.gz ZMBVLTIFIKHNFW-LJQANCHMSA-N 0 0 398.572 4.011 40 0 GIABRN COc1ccccc1-c1nnc(SCC(=O)OC(C)C)n1Cc1ccccc1 ZINC000000904601 570515421 /nfs/dbraw/zinc/51/54/21/570515421.db2.gz ZCPWDBLBRRKEFS-UHFFFAOYSA-N 0 0 397.500 4.046 40 0 GIABRN Cc1ccc(C)c(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224509266 570516008 /nfs/dbraw/zinc/51/60/08/570516008.db2.gz YZQBQRNTJKPGTJ-NRFANRHFSA-N 0 0 394.559 4.078 40 0 GIABRN CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000007842612 570517978 /nfs/dbraw/zinc/51/79/78/570517978.db2.gz DDXLGZHVVORLFT-UHFFFAOYSA-N 0 0 386.517 4.066 40 0 GIABRN C[C@]12C[C@H](NC(=S)N1c1ccc(Br)cc1)c1ccccc1O2 ZINC000002963640 570518123 /nfs/dbraw/zinc/51/81/23/570518123.db2.gz CZUDKBGQIRZTND-YOEHRIQHSA-N 0 0 375.291 4.384 40 0 GIABRN CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1 ZINC000224593321 570519652 /nfs/dbraw/zinc/51/96/52/570519652.db2.gz AODLFDYTFUIXRH-UXHICEINSA-N 0 0 378.501 4.347 40 0 GIABRN CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CSc1ccc(C)cc1 ZINC000224594975 570519879 /nfs/dbraw/zinc/51/98/79/570519879.db2.gz WUEUGZSIAUIFSM-NRFANRHFSA-N 0 0 398.572 4.073 40 0 GIABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 ZINC000224605914 570520357 /nfs/dbraw/zinc/52/03/57/570520357.db2.gz WYMXFVSXIBKOPD-IRXDYDNUSA-N 0 0 394.515 4.500 40 0 GIABRN Cc1cccc(C(=O)N2CCC3(CC2)OCC[C@@H]3CCOCc2ccccn2)c1 ZINC000575404540 570520844 /nfs/dbraw/zinc/52/08/44/570520844.db2.gz NYWUERDETIKMDC-NRFANRHFSA-N 0 0 394.515 4.008 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 ZINC000224623500 570520867 /nfs/dbraw/zinc/52/08/67/570520867.db2.gz AJVMOWHZHIZBKC-HSZRJFAPSA-N 0 0 394.559 4.426 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 ZINC000224631156 570521555 /nfs/dbraw/zinc/52/15/55/570521555.db2.gz VJIIJJXFAUVRFE-QFIPXVFZSA-N 0 0 380.532 4.117 40 0 GIABRN CCCC[C@H](CC)CNC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000224655830 570523277 /nfs/dbraw/zinc/52/32/77/570523277.db2.gz UAPVDCJATVDBQE-IBGZPJMESA-N 0 0 396.597 4.182 40 0 GIABRN CCOc1ccc(C(=O)N2CCN(C)CC2)cc1CSc1ccc(C)cc1 ZINC000224666026 570523476 /nfs/dbraw/zinc/52/34/76/570523476.db2.gz JTOBYSUQIHNPOK-UHFFFAOYSA-N 0 0 384.545 4.074 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 ZINC000224692019 570525209 /nfs/dbraw/zinc/52/52/09/570525209.db2.gz UAARBIVAJSZHEG-FQEVSTJZSA-N 0 0 396.531 4.098 40 0 GIABRN Cc1ccc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1C ZINC000224704321 570525940 /nfs/dbraw/zinc/52/59/40/570525940.db2.gz PRVGTBAYBJFJNR-UHFFFAOYSA-N 0 0 386.249 4.046 40 0 GIABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NCC(C)C)cc2c1 ZINC000000916781 570528266 /nfs/dbraw/zinc/52/82/66/570528266.db2.gz JYEGBPMIVJGOJD-UHFFFAOYSA-N 0 0 397.544 4.216 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000224776573 570530366 /nfs/dbraw/zinc/53/03/66/570530366.db2.gz ZRCGFKQFFPRURL-FQEVSTJZSA-N 0 0 380.532 4.098 40 0 GIABRN CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000224825775 570532869 /nfs/dbraw/zinc/53/28/69/570532869.db2.gz YXIRSOPVIICNOB-UHFFFAOYSA-N 0 0 397.452 4.075 40 0 GIABRN COc1ccc(-c2cnc(CCC(=O)Nc3cccc(C(C)=O)c3)o2)c(OC)c1 ZINC000224869971 570535512 /nfs/dbraw/zinc/53/55/12/570535512.db2.gz ACUAHVPRGPSGGV-UHFFFAOYSA-N 0 0 394.427 4.133 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(C)C)cc2)cc1Br ZINC000224875704 570535967 /nfs/dbraw/zinc/53/59/67/570535967.db2.gz AGYWAUGSXMEDCB-UHFFFAOYSA-N 0 0 398.322 4.406 40 0 GIABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224928824 570538724 /nfs/dbraw/zinc/53/87/24/570538724.db2.gz SCMNMXHBFBBESF-HXUWFJFHSA-N 0 0 386.923 4.215 40 0 GIABRN CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224931416 570538733 /nfs/dbraw/zinc/53/87/33/570538733.db2.gz VXAPFHQJXPNOGK-UHFFFAOYSA-N 0 0 390.288 4.226 40 0 GIABRN C[C@H]1CCc2c(sc3ncnc(SCC(=O)Nc4nccs4)c23)C1 ZINC000000928917 570539404 /nfs/dbraw/zinc/53/94/04/570539404.db2.gz YJPIKSUHGYQUIN-VIFPVBQESA-N 0 0 376.532 4.003 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)c1 ZINC000224955778 570539432 /nfs/dbraw/zinc/53/94/32/570539432.db2.gz NTNVROXBWUDMDN-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1Cl ZINC000224948657 570539591 /nfs/dbraw/zinc/53/95/91/570539591.db2.gz JRKNXNITWHJEIO-ROUUACIJSA-N 0 0 384.892 4.249 40 0 GIABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1Cl ZINC000224973079 570541040 /nfs/dbraw/zinc/54/10/40/570541040.db2.gz PPGQAYSRNGIUHM-OALUTQOASA-N 0 0 398.919 4.259 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1 ZINC000224995713 570542205 /nfs/dbraw/zinc/54/22/05/570542205.db2.gz JCHBDLHRFHQDDA-WOJBJXKFSA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 ZINC000224996161 570542289 /nfs/dbraw/zinc/54/22/89/570542289.db2.gz YGLDAONDXAUHLS-PMACEKPBSA-N 0 0 396.531 4.178 40 0 GIABRN COc1cc2cc(C)c(SCC(=O)Nc3nc(C)cs3)nc2cc1OC ZINC000000933039 570542386 /nfs/dbraw/zinc/54/23/86/570542386.db2.gz RQBMNEIMSPMJRO-UHFFFAOYSA-N 0 0 389.502 4.056 40 0 GIABRN Cc1ccc(C(=O)NCc2ccccc2Cl)c(I)c1 ZINC000225017191 570543751 /nfs/dbraw/zinc/54/37/51/570543751.db2.gz PIZZCRWEIPLULD-UHFFFAOYSA-N 0 0 385.632 4.183 40 0 GIABRN Cc1ccc(C(=O)N2c3ccccc3C[C@H]2C)c(I)c1 ZINC000225027110 570544092 /nfs/dbraw/zinc/54/40/92/570544092.db2.gz MSINUOSBGPMENY-GFCCVEGCSA-N 0 0 377.225 4.191 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 ZINC000225038116 570544520 /nfs/dbraw/zinc/54/45/20/570544520.db2.gz PVFCBHARKZKSCI-NHCUHLMSSA-N 0 0 394.559 4.486 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 ZINC000225038229 570544592 /nfs/dbraw/zinc/54/45/92/570544592.db2.gz PVFCBHARKZKSCI-SFTDATJTSA-N 0 0 394.559 4.486 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccco2)N1CCCNc1ccccc1 ZINC000225033241 570544596 /nfs/dbraw/zinc/54/45/96/570544596.db2.gz SWBUZKFUYRLNTK-WOJBJXKFSA-N 0 0 378.501 4.149 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1F ZINC000225052671 570545362 /nfs/dbraw/zinc/54/53/62/570545362.db2.gz JQHPYUSNJKLZDZ-ZWKOTPCHSA-N 0 0 384.495 4.009 40 0 GIABRN CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000225048486 570545421 /nfs/dbraw/zinc/54/54/21/570545421.db2.gz LBZRHVHBCLKACY-UHFFFAOYSA-N 0 0 383.469 4.232 40 0 GIABRN CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225119306 570550221 /nfs/dbraw/zinc/55/02/21/570550221.db2.gz ZQWRLHFXKMKRRW-UHFFFAOYSA-N 0 0 393.480 4.371 40 0 GIABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc2c(c1)sc(=O)n2CC ZINC000225121890 570550742 /nfs/dbraw/zinc/55/07/42/570550742.db2.gz KNHKIDVBNMSRMH-QGZVFWFLSA-N 0 0 384.501 4.496 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1 ZINC000225128772 570551009 /nfs/dbraw/zinc/55/10/09/570551009.db2.gz ZHMNZOOFTNPSGY-UXHICEINSA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1 ZINC000225128899 570551146 /nfs/dbraw/zinc/55/11/46/570551146.db2.gz CNFHTDYLWBTSTB-VQTJNVASSA-N 0 0 396.531 4.014 40 0 GIABRN Cc1cc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2F)no1 ZINC000035289680 570551239 /nfs/dbraw/zinc/55/12/39/570551239.db2.gz ZHLMUMIDBZLMOR-UHFFFAOYSA-N 0 0 396.447 4.251 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1C ZINC000225132724 570551358 /nfs/dbraw/zinc/55/13/58/570551358.db2.gz FBKSBURVHTYKQK-QFIPXVFZSA-N 0 0 380.532 4.180 40 0 GIABRN CCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1cccs1 ZINC000225137850 570551853 /nfs/dbraw/zinc/55/18/53/570551853.db2.gz PSFITZPGPRGCDI-UHFFFAOYSA-N 0 0 380.716 4.379 40 0 GIABRN CCc1nc2sc([C@@H](c3cccs3)[NH+]3C[C@@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000036104874 570554586 /nfs/dbraw/zinc/55/45/86/570554586.db2.gz UMRVWMLSNKJSMP-SLEUVZQESA-N 0 0 376.551 4.188 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(C)c(C)c1 ZINC000225190438 570554894 /nfs/dbraw/zinc/55/48/94/570554894.db2.gz GHMRIAKWMRKGKX-IBGZPJMESA-N 0 0 398.522 4.319 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000225201479 570555579 /nfs/dbraw/zinc/55/55/79/570555579.db2.gz SBRCWMFUZALGNO-SFHVURJKSA-N 0 0 380.532 4.080 40 0 GIABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N[C@H](C)C(C)C)ccc2C)c1 ZINC000225200281 570555653 /nfs/dbraw/zinc/55/56/53/570555653.db2.gz HOWWGJOOJMTXGN-QGZVFWFLSA-N 0 0 388.533 4.187 40 0 GIABRN COc1ccc(CNC(=S)Nc2nc(C)cc(Nc3ccc(F)cc3)n2)cc1 ZINC000225204006 570556062 /nfs/dbraw/zinc/55/60/62/570556062.db2.gz RFECTTOMCCFSLB-UHFFFAOYSA-N 0 0 397.479 4.163 40 0 GIABRN Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(I)c2)c1 ZINC000070134484 570556901 /nfs/dbraw/zinc/55/69/01/570556901.db2.gz FPSYDWOAOUWJOY-CYBMUJFWSA-N 0 0 379.241 4.399 40 0 GIABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(I)cc2)c(C)c1 ZINC000070140652 570557383 /nfs/dbraw/zinc/55/73/83/570557383.db2.gz UFOIKIKURAPJEX-CYBMUJFWSA-N 0 0 379.241 4.399 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225247229 570558813 /nfs/dbraw/zinc/55/88/13/570558813.db2.gz OLQNARZWBJLGCX-OALUTQOASA-N 0 0 398.522 4.317 40 0 GIABRN CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)c1ccc(C)cc1C ZINC000225248015 570559445 /nfs/dbraw/zinc/55/94/45/570559445.db2.gz PLBPNQGJPOBESE-GOSISDBHSA-N 0 0 395.908 4.173 40 0 GIABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000225279466 570561169 /nfs/dbraw/zinc/56/11/69/570561169.db2.gz FRALHJPPHRFHIZ-RTBURBONSA-N 0 0 383.488 4.098 40 0 GIABRN O=C(CCc1ccc(Cl)c(Cl)c1)NCc1nc(-c2ccccc2)no1 ZINC000225340066 570565692 /nfs/dbraw/zinc/56/56/92/570565692.db2.gz FYNRRWJMSNWACR-UHFFFAOYSA-N 0 0 376.243 4.292 40 0 GIABRN Cc1cc(C(=O)N(C)c2ccccc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000010112107 570565684 /nfs/dbraw/zinc/56/56/84/570565684.db2.gz CRQDPGVMRSTEND-UHFFFAOYSA-N 0 0 380.469 4.072 40 0 GIABRN CCOC(=O)C1=C(C)N=C2S[C@H](c3ccccc3)C(=O)N2[C@H]1c1ccccc1 ZINC000036624800 570566134 /nfs/dbraw/zinc/56/61/34/570566134.db2.gz AKVCMNUBPUVVJS-RBUKOAKNSA-N 0 0 392.480 4.251 40 0 GIABRN Cc1cc(C)c(N2C(=O)C[C@@H](Nc3ccc(Br)cc3)C2=O)c(C)c1 ZINC000036635535 570566549 /nfs/dbraw/zinc/56/65/49/570566549.db2.gz GNQOVVCSSXMMKC-MRXNPFEDSA-N 0 0 387.277 4.118 40 0 GIABRN Cc1ccc(C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)cc1 ZINC000010254911 570567087 /nfs/dbraw/zinc/56/70/87/570567087.db2.gz ORPLDDHUBACFQU-UHFFFAOYSA-N 0 0 382.641 4.206 40 0 GIABRN Fc1cccc(Cl)c1CSCCNC(=S)Nc1ccc2c(c1)OCO2 ZINC000225367841 570567927 /nfs/dbraw/zinc/56/79/27/570567927.db2.gz CGWCESYLXXGDOW-UHFFFAOYSA-N 0 0 398.912 4.428 40 0 GIABRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CC ZINC000225369594 570568042 /nfs/dbraw/zinc/56/80/42/570568042.db2.gz KMPZYDSFTAWTBE-JOCHJYFZSA-N 0 0 380.532 4.261 40 0 GIABRN O=C(Nc1cccc2ccccc21)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000010327332 570569027 /nfs/dbraw/zinc/56/90/27/570569027.db2.gz GETPKYZASJGPCC-UHFFFAOYSA-N 0 0 375.453 4.040 40 0 GIABRN Cc1cccc(CCCNC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)c1 ZINC000225393741 570569493 /nfs/dbraw/zinc/56/94/93/570569493.db2.gz SLDSFMISVMKCRV-UHFFFAOYSA-N 0 0 381.545 4.349 40 0 GIABRN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000010429158 570570155 /nfs/dbraw/zinc/57/01/55/570570155.db2.gz IAICITVFJKIQEY-AWEZNQCLSA-N 0 0 389.293 4.455 40 0 GIABRN Cc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000010362660 570570253 /nfs/dbraw/zinc/57/02/53/570570253.db2.gz GKSUGNWCNHMAJL-QGZVFWFLSA-N 0 0 394.496 4.287 40 0 GIABRN COc1ccc(CNC(=O)CSc2nc(C(C)C)nc3ccccc32)cc1 ZINC000001342991 570571284 /nfs/dbraw/zinc/57/12/84/570571284.db2.gz OXEBWXYHVLSDDE-UHFFFAOYSA-N 0 0 381.501 4.170 40 0 GIABRN O=C(Nc1cccc(F)c1)NC1(C(=O)N2CCc3ccccc32)CCCCC1 ZINC000001344837 570571853 /nfs/dbraw/zinc/57/18/53/570571853.db2.gz BIVHWECGSCRNSI-UHFFFAOYSA-N 0 0 381.451 4.239 40 0 GIABRN Cc1ccc(-n2ncc3c2ncnc3SCC(=O)OC2CCCCC2)cc1 ZINC000001346346 570572263 /nfs/dbraw/zinc/57/22/63/570572263.db2.gz IAVUMVJFLGQNTJ-UHFFFAOYSA-N 0 0 382.489 4.092 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSc1ccccc1 ZINC000225421328 570572428 /nfs/dbraw/zinc/57/24/28/570572428.db2.gz SWAOMPRINYKXOJ-RBUKOAKNSA-N 0 0 398.572 4.153 40 0 GIABRN O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1 ZINC000001346837 570572641 /nfs/dbraw/zinc/57/26/41/570572641.db2.gz UIPCNMQYLZRBOJ-KRWDZBQOSA-N 0 0 392.286 4.306 40 0 GIABRN CCOc1ccc(CNC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000225432105 570573461 /nfs/dbraw/zinc/57/34/61/570573461.db2.gz WPVWMQQQGWMDAV-UHFFFAOYSA-N 0 0 383.517 4.007 40 0 GIABRN C[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000010968554 570574158 /nfs/dbraw/zinc/57/41/58/570574158.db2.gz PSEOBSWGESAZLT-INIZCTEOSA-N 0 0 387.545 4.198 40 0 GIABRN Cc1csc(NC(=O)CSc2nc(C)nc3sc4c(c32)CCCC4)n1 ZINC000001357930 570574894 /nfs/dbraw/zinc/57/48/94/570574894.db2.gz JSHHOXNOAATEGM-UHFFFAOYSA-N 0 0 390.559 4.374 40 0 GIABRN Cc1ccc(SCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225453726 570575913 /nfs/dbraw/zinc/57/59/13/570575913.db2.gz RBIJCCSCAAOOHE-GOSISDBHSA-N 0 0 384.545 4.029 40 0 GIABRN CC(C)Cc1cc(C(=O)O[C@@H](C)C(=O)NC2CCCCC2)c2ccccc2n1 ZINC000001361198 570576082 /nfs/dbraw/zinc/57/60/82/570576082.db2.gz DVEMTIYWSTUCCI-INIZCTEOSA-N 0 0 382.504 4.428 40 0 GIABRN COc1cccc(-c2noc([C@@H]3CCCN(C(=O)CC4CCCCC4)C3)n2)c1 ZINC000001362466 570576387 /nfs/dbraw/zinc/57/63/87/570576387.db2.gz XIGYBARYJAZUKF-GOSISDBHSA-N 0 0 383.492 4.422 40 0 GIABRN CCOc1ccc(-c2noc(CN(C)C(=S)Nc3ccc(F)cc3)n2)cc1 ZINC000225461396 570576640 /nfs/dbraw/zinc/57/66/40/570576640.db2.gz VIEBPBFFRSDGIO-UHFFFAOYSA-N 0 0 386.452 4.103 40 0 GIABRN Cc1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)cc1N1CCCC1=O ZINC000225462221 570576711 /nfs/dbraw/zinc/57/67/11/570576711.db2.gz KVEXRVFFHWEIBN-LJQANCHMSA-N 0 0 379.529 4.486 40 0 GIABRN COC(=O)c1ccc2nc(-c3cccc(I)c3)sc2c1 ZINC000073740430 570577061 /nfs/dbraw/zinc/57/70/61/570577061.db2.gz UXHSNJNVYXCSAL-UHFFFAOYSA-N 0 0 395.221 4.355 40 0 GIABRN CCC(=O)N1c2ccc(-c3csc(NC(=O)c4ccncc4)n3)cc2C[C@H]1C ZINC000001366667 570579642 /nfs/dbraw/zinc/57/96/42/570579642.db2.gz GJEPCYIJRGMXKK-CYBMUJFWSA-N 0 0 392.484 4.145 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@H](C)C(=O)NC(C)C)c1 ZINC000225508807 570581541 /nfs/dbraw/zinc/58/15/41/570581541.db2.gz WBEWXGLPMZRZOB-HXUWFJFHSA-N 0 0 380.532 4.096 40 0 GIABRN COc1cc(CNC(=O)[C@@H](C)Oc2cccc(Cl)c2)ccc1OC(C)C ZINC000038755958 570582342 /nfs/dbraw/zinc/58/23/42/570582342.db2.gz DMBBCHHOKJXVQX-CQSZACIVSA-N 0 0 377.868 4.220 40 0 GIABRN CCC(CC)C(=O)Nc1nnc(SCC(=O)Nc2ccc(Cl)cc2)s1 ZINC000001381699 570584410 /nfs/dbraw/zinc/58/44/10/570584410.db2.gz QALGIHAJTDJKIF-UHFFFAOYSA-N 0 0 398.941 4.297 40 0 GIABRN O=C1CCCN1c1ccc(NC(=S)NCCCSCc2ccco2)cc1 ZINC000225594622 570592330 /nfs/dbraw/zinc/59/23/30/570592330.db2.gz PPOLLYAHGKLFJJ-UHFFFAOYSA-N 0 0 389.546 4.016 40 0 GIABRN Cc1ccc(NC(=O)C[C@H]2C(=O)N(C3CC3)c3nc4ccccc4n32)c(Cl)c1 ZINC000039964153 570594476 /nfs/dbraw/zinc/59/44/76/570594476.db2.gz YETICSGNGVPPDM-SFHVURJKSA-N 0 0 394.862 4.077 40 0 GIABRN CC(C)c1ccc(NC(=O)C[C@H]2C(=O)N(C3CC3)c3nc4ccccc4n32)cc1 ZINC000039964093 570594485 /nfs/dbraw/zinc/59/44/85/570594485.db2.gz WPCPFPHBDKHLHH-FQEVSTJZSA-N 0 0 388.471 4.239 40 0 GIABRN Cc1ccc(Cl)cc1NC(=O)C[C@H]1C(=O)N(C2CC2)c2nc3ccccc3n21 ZINC000039964145 570594750 /nfs/dbraw/zinc/59/47/50/570594750.db2.gz NASWILVRGKHAFH-SFHVURJKSA-N 0 0 394.862 4.077 40 0 GIABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)Cc1cccc(Br)c1 ZINC000225619303 570594855 /nfs/dbraw/zinc/59/48/55/570594855.db2.gz UIVGHCKCWJMLAH-UHFFFAOYSA-N 0 0 389.293 4.159 40 0 GIABRN Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(NC[C@@H]2CCCO2)n1 ZINC000040556438 570603207 /nfs/dbraw/zinc/60/32/07/570603207.db2.gz XQDSGYVVXFYFJN-NSHDSACASA-N 0 0 380.539 4.151 40 0 GIABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c1 ZINC000225702396 570605508 /nfs/dbraw/zinc/60/55/08/570605508.db2.gz BZXKMSSHPDTMQC-UHFFFAOYSA-N 0 0 376.503 4.062 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CSc1ccccc1 ZINC000225699717 570605561 /nfs/dbraw/zinc/60/55/61/570605561.db2.gz SWBUWXGXBSWZPV-FQEVSTJZSA-N 0 0 384.545 4.111 40 0 GIABRN CC[C@@H](NC(=S)Nc1ccc(OC)cc1OC)c1ccc(OC)c(OC)c1 ZINC000225718354 570607875 /nfs/dbraw/zinc/60/78/75/570607875.db2.gz WDDOVXJQWQIRLX-OAHLLOKOSA-N 0 0 390.505 4.159 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225719633 570608474 /nfs/dbraw/zinc/60/84/74/570608474.db2.gz RLUCRGNHKCXJBS-JOCHJYFZSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@H](NC(=S)Nc1cc(C)ccc1C)c1ccc(S(C)(=O)=O)cc1 ZINC000225722115 570608689 /nfs/dbraw/zinc/60/86/89/570608689.db2.gz LISRTZDEBHLYFF-KRWDZBQOSA-N 0 0 376.547 4.145 40 0 GIABRN CC[C@H](NC(=S)Nc1cc(C)cc(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000225722179 570608755 /nfs/dbraw/zinc/60/87/55/570608755.db2.gz WNMROFNWOYNGSM-SFHVURJKSA-N 0 0 376.547 4.145 40 0 GIABRN COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2cc(C)c(OC)cc2C)cc1 ZINC000225731593 570610702 /nfs/dbraw/zinc/61/07/02/570610702.db2.gz PCMRPFQCXLVFEJ-LJQANCHMSA-N 0 0 391.533 4.386 40 0 GIABRN COc1ccc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)cc1Cl ZINC000225739815 570611391 /nfs/dbraw/zinc/61/13/91/570611391.db2.gz WDWIEBCTFZHCEE-AWEZNQCLSA-N 0 0 389.952 4.476 40 0 GIABRN CCn1c2ccccc2nc1N1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000012145799 570616290 /nfs/dbraw/zinc/61/62/90/570616290.db2.gz KSWPNWWDUUYZJW-KRWDZBQOSA-N 0 0 376.504 4.150 40 0 GIABRN COc1ccc(NC(=S)N[C@@H](C)COc2ccccc2OC)cc1Cl ZINC000225786210 570617209 /nfs/dbraw/zinc/61/72/09/570617209.db2.gz FXXNCWBAIDFLAX-LBPRGKRZSA-N 0 0 380.897 4.111 40 0 GIABRN O=C(Nc1ccc(F)cc1F)c1snnc1-c1ccc(Br)cc1 ZINC000225783921 570617212 /nfs/dbraw/zinc/61/72/12/570617212.db2.gz SHQHYOPJRFJJTR-UHFFFAOYSA-N 0 0 396.216 4.498 40 0 GIABRN CCn1cc(CC(=O)NCc2nc(-c3ccccc3Cl)no2)c2ccccc21 ZINC000012148618 570617646 /nfs/dbraw/zinc/61/76/46/570617646.db2.gz WKGAYPDEGSAMOK-UHFFFAOYSA-N 0 0 394.862 4.224 40 0 GIABRN COc1cccc(C2(NC(=O)c3ccc(OC4CSC4)cc3)CCCC2)c1 ZINC000012155335 570618506 /nfs/dbraw/zinc/61/85/06/570618506.db2.gz QSCQKWKMHKXMNW-UHFFFAOYSA-N 0 0 383.513 4.389 40 0 GIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NC(=O)c2cc(C(C)C)nn2C)cc1 ZINC000012162410 570619045 /nfs/dbraw/zinc/61/90/45/570619045.db2.gz OLTCEPRGEMPZBB-KSCDAYEDSA-N 0 0 381.520 4.254 40 0 GIABRN COc1cccc(NC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 ZINC000225804173 570619378 /nfs/dbraw/zinc/61/93/78/570619378.db2.gz WMTUBWRNAIAHJY-UHFFFAOYSA-N 0 0 391.349 4.335 40 0 GIABRN CCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C(=O)OCC ZINC000225807985 570619840 /nfs/dbraw/zinc/61/98/40/570619840.db2.gz WLSKODHMQZUMEE-QVKFZJNVSA-N 0 0 377.481 4.186 40 0 GIABRN CCCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C(=O)OC ZINC000225807763 570619926 /nfs/dbraw/zinc/61/99/26/570619926.db2.gz KQBYZCMOFAZYDH-BTYIYWSLSA-N 0 0 377.481 4.186 40 0 GIABRN O=C(COc1cccc(C(F)(F)F)c1)NCCSCc1ccccc1F ZINC000225811735 570620165 /nfs/dbraw/zinc/62/01/65/570620165.db2.gz QSPNLVMPPYRELQ-UHFFFAOYSA-N 0 0 387.398 4.273 40 0 GIABRN COCCN(C(=O)c1ccc(F)cc1)c1nc(-c2ccc(OC)cc2)cs1 ZINC000004169363 570621545 /nfs/dbraw/zinc/62/15/45/570621545.db2.gz BCDJNELOQTVZRS-UHFFFAOYSA-N 0 0 386.448 4.251 40 0 GIABRN COc1cc(C)c(S(=O)(=O)Nc2ccc(Br)cc2F)c(C)c1 ZINC000225818450 570621655 /nfs/dbraw/zinc/62/16/55/570621655.db2.gz WUGAACCIBGTKFI-UHFFFAOYSA-N 0 0 388.258 4.014 40 0 GIABRN CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 ZINC000225821994 570621676 /nfs/dbraw/zinc/62/16/76/570621676.db2.gz AZGPLGUXPQCGCC-NRFANRHFSA-N 0 0 379.497 4.432 40 0 GIABRN Cc1cccc(-c2noc(CCC(=O)N[C@@H](C)c3ccc4c(c3)CCC4)n2)c1 ZINC000012194932 570622531 /nfs/dbraw/zinc/62/25/31/570622531.db2.gz SAQZGVJJKGYFSH-INIZCTEOSA-N 0 0 375.472 4.344 40 0 GIABRN CCOC(=O)c1cc(NC(=O)C2(OCC)CCCCCC2)ccc1OCC ZINC000225830565 570623088 /nfs/dbraw/zinc/62/30/88/570623088.db2.gz PKOHQQYULMMCIE-UHFFFAOYSA-N 0 0 377.481 4.330 40 0 GIABRN CN(C(=O)c1cccc(NC(=O)[C@@H]2OCOc3ccccc32)c1)C1CCCCC1 ZINC000012196408 570623080 /nfs/dbraw/zinc/62/30/80/570623080.db2.gz FUNNCPKAAKAQCP-OAQYLSRUSA-N 0 0 394.471 4.138 40 0 GIABRN CCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OC)c2)CCC[C@H](C)C1 ZINC000225831573 570623467 /nfs/dbraw/zinc/62/34/67/570623467.db2.gz GQNLEWOLLQWNRV-AOMKIAJQSA-N 0 0 391.508 4.432 40 0 GIABRN CCc1ccc(CC)c(CNS(=O)(=O)Cc2cccc(Br)c2)c1 ZINC000225852636 570626619 /nfs/dbraw/zinc/62/66/19/570626619.db2.gz LOQGQJBVUFJEHQ-UHFFFAOYSA-N 0 0 396.350 4.194 40 0 GIABRN CCCO[C@]1(C(=O)Nc2ccc(OC)c(C(=O)OCC)c2)CCC[C@H](C)C1 ZINC000225853856 570626921 /nfs/dbraw/zinc/62/69/21/570626921.db2.gz GAKAKFWPUDKLNO-YCRPNKLZSA-N 0 0 377.481 4.186 40 0 GIABRN Cc1cc(C)cc(NC(=O)NCc2nnc(SCc3ccccc3)n2C)c1 ZINC000004388949 570626925 /nfs/dbraw/zinc/62/69/25/570626925.db2.gz WORWWXUHYGQALC-UHFFFAOYSA-N 0 0 381.505 4.046 40 0 GIABRN Fc1ccccc1CN(CCCn1ccnc1)Cc1ccnn1[C@H]1CCCCO1 ZINC000043277858 570627183 /nfs/dbraw/zinc/62/71/83/570627183.db2.gz DFLIPMUAYAIEJH-JOCHJYFZSA-N 0 0 397.498 4.010 40 0 GIABRN CCCOC1(C(=O)Nc2ccc(OC)c(C(=O)OCC)c2)CCC(C)CC1 ZINC000225856524 570627389 /nfs/dbraw/zinc/62/73/89/570627389.db2.gz DELSXOBXGSQWCM-UHFFFAOYSA-N 0 0 377.481 4.186 40 0 GIABRN CCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)cc1C(=O)OCC ZINC000225857930 570627444 /nfs/dbraw/zinc/62/74/44/570627444.db2.gz HQFQVGFWZZWVKE-OAQYLSRUSA-N 0 0 377.481 4.186 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)NC2(c3cccnc3)CCCC2)c1C ZINC000225863800 570628335 /nfs/dbraw/zinc/62/83/35/570628335.db2.gz JEIVLXAQABEXIW-UHFFFAOYSA-N 0 0 383.517 4.323 40 0 GIABRN Cc1occc1-c1nnc(SCC(=O)c2ccccc2)n1C[C@@H]1CCCO1 ZINC000004400836 570628795 /nfs/dbraw/zinc/62/87/95/570628795.db2.gz ICPVHCQXJHIDQW-INIZCTEOSA-N 0 0 383.473 4.001 40 0 GIABRN CCCCOc1ncc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1C ZINC000225874459 570629510 /nfs/dbraw/zinc/62/95/10/570629510.db2.gz ALYYFIDTNJNZMC-UHFFFAOYSA-N 0 0 386.467 4.395 40 0 GIABRN CC(C)Oc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 ZINC000043754871 570630111 /nfs/dbraw/zinc/63/01/11/570630111.db2.gz XGHWABYHXJMBJU-CQSZACIVSA-N 0 0 392.293 4.320 40 0 GIABRN CCCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC[C@@H]2C)n1 ZINC000225886067 570630424 /nfs/dbraw/zinc/63/04/24/570630424.db2.gz NKAUNRLWTGATGM-HNNXBMFYSA-N 0 0 385.537 4.344 40 0 GIABRN COc1ccc(CNc2ncc(-c3cc(C)no3)c(-c3ccoc3)n2)cc1OC ZINC000012252392 570631042 /nfs/dbraw/zinc/63/10/42/570631042.db2.gz SBTQDTPMSSSOPK-UHFFFAOYSA-N 0 0 392.415 4.329 40 0 GIABRN CCc1nc2cc(C(=O)N3CCc4cc(Br)ccc43)ccc2n1C ZINC000225894722 570631368 /nfs/dbraw/zinc/63/13/68/570631368.db2.gz JHOLXXULRILCJC-UHFFFAOYSA-N 0 0 384.277 4.101 40 0 GIABRN O=C(c1cc(-c2ccc(F)cc2)on1)N1CCc2cc(Br)ccc21 ZINC000225900197 570631783 /nfs/dbraw/zinc/63/17/83/570631783.db2.gz MYDWBZKCNJDOBQ-UHFFFAOYSA-N 0 0 387.208 4.446 40 0 GIABRN COc1ccccc1[C@@]1(O)CCCN(C(=O)c2ccnc3ccc(Cl)cc32)C1 ZINC000012290453 570632857 /nfs/dbraw/zinc/63/28/57/570632857.db2.gz NSJPFWBTVXUENW-JOCHJYFZSA-N 0 0 396.874 4.021 40 0 GIABRN Cc1nn([C@H](C)CC(=O)N2CCc3onc(-c4ccccc4F)c3C2)c(C)c1C ZINC000012290787 570632920 /nfs/dbraw/zinc/63/29/20/570632920.db2.gz XAGDRGRLGARKJA-CYBMUJFWSA-N 0 0 396.466 4.138 40 0 GIABRN COc1ccc(C2OCC(C)(C(=O)Nc3ccc(OC)c(Cl)c3)CO2)cc1 ZINC000225916909 570633059 /nfs/dbraw/zinc/63/30/59/570633059.db2.gz SBHMGSNDESBKFY-UHFFFAOYSA-N 0 0 391.851 4.048 40 0 GIABRN COc1ccc(OC)c(NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)c1 ZINC000225917931 570633555 /nfs/dbraw/zinc/63/35/55/570633555.db2.gz COUUDJFHXNOLTR-UHFFFAOYSA-N 0 0 378.432 4.107 40 0 GIABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000044840408 570634533 /nfs/dbraw/zinc/63/45/33/570634533.db2.gz NZKGVOXXSRRECN-QHCPKHFHSA-N 0 0 380.532 4.426 40 0 GIABRN CCN(CC)CC(=O)Nc1sc2c(c1C(=O)c1cccs1)CCCC2 ZINC000004848725 570634687 /nfs/dbraw/zinc/63/46/87/570634687.db2.gz ABIIQJZEDNUKHY-UHFFFAOYSA-N 0 0 376.547 4.200 40 0 GIABRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)ccc1N1CCCC1=O ZINC000044846257 570635243 /nfs/dbraw/zinc/63/52/43/570635243.db2.gz MXIODMTXMYWAAF-UHFFFAOYSA-N 0 0 399.299 4.229 40 0 GIABRN COc1cc(C)nc(NC(=S)NCC2(c3cccc(Cl)c3)CCCC2)n1 ZINC000225981179 570637636 /nfs/dbraw/zinc/63/76/36/570637636.db2.gz QKFDLHFTZVDYET-UHFFFAOYSA-N 0 0 390.940 4.245 40 0 GIABRN COc1ccc(S[C@@H](C)C(=O)NCc2ccc(OC(C)C)cc2)cc1OC ZINC000044880135 570638029 /nfs/dbraw/zinc/63/80/29/570638029.db2.gz SWMXIEONXSJEBT-HNNXBMFYSA-N 0 0 389.517 4.288 40 0 GIABRN Cc1cccc(C(=O)NC2CCN(C(=S)Nc3cc(C)cc(C)c3)CC2)c1 ZINC000004857744 570638699 /nfs/dbraw/zinc/63/86/99/570638699.db2.gz QUVHGNQRHAGTCB-UHFFFAOYSA-N 0 0 381.545 4.203 40 0 GIABRN Cc1ccc2oc(=O)c(C(=O)Nc3ccc(Br)cc3F)cc2c1 ZINC000226036701 570639095 /nfs/dbraw/zinc/63/90/95/570639095.db2.gz NLKNNNGFENPFQN-UHFFFAOYSA-N 0 0 376.181 4.255 40 0 GIABRN O=C(NCCc1ccccc1)[C@H](OC(=O)c1cccs1)c1ccccc1F ZINC000004901880 570639189 /nfs/dbraw/zinc/63/91/89/570639189.db2.gz UKBSJEZADWGSEY-LJQANCHMSA-N 0 0 383.444 4.144 40 0 GIABRN Cc1ccc(S[C@@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000031852103 570640425 /nfs/dbraw/zinc/64/04/25/570640425.db2.gz YAEGCTCHYOYHJZ-ZGBFETHSSA-N 0 0 380.557 4.333 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(OC)cc2)cc1Cl ZINC000044904842 570641693 /nfs/dbraw/zinc/64/16/93/570641693.db2.gz QJJPWJXLECMYJP-GOSISDBHSA-N 0 0 391.851 4.321 40 0 GIABRN COCCN(Cc1cc2cc(C)ccc2nc1Cl)C(=O)c1cccc(OC)c1 ZINC000004880602 570642163 /nfs/dbraw/zinc/64/21/63/570642163.db2.gz UAMKUSYHSVOYHL-UHFFFAOYSA-N 0 0 398.890 4.494 40 0 GIABRN Cc1ccccc1C(=O)NC1CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000004888659 570643600 /nfs/dbraw/zinc/64/36/00/570643600.db2.gz ZUCHYHFKLHHLHF-UHFFFAOYSA-N 0 0 387.936 4.240 40 0 GIABRN COc1ccc(OC)c(NC(=O)CSCc2ccccc2Br)c1 ZINC000032794309 570643901 /nfs/dbraw/zinc/64/39/01/570643901.db2.gz WQJRWOZLEVSERG-UHFFFAOYSA-N 0 0 396.306 4.338 40 0 GIABRN COc1cccc(C)c1NC(=O)CCn1c(C(F)(F)F)cc2cccnc21 ZINC000012337320 570644650 /nfs/dbraw/zinc/64/46/50/570644650.db2.gz OJWJGMFPVVBZKC-UHFFFAOYSA-N 0 0 377.366 4.401 40 0 GIABRN COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(Br)cc2)C(=O)O1 ZINC000033247252 570644833 /nfs/dbraw/zinc/64/48/33/570644833.db2.gz XADSMXRQOLSHAG-ZSOIEALJSA-N 0 0 392.636 4.456 40 0 GIABRN CCCSc1ncc(CN2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cn1 ZINC000012345477 570645661 /nfs/dbraw/zinc/64/56/61/570645661.db2.gz JJQMNJMMWXXYQU-PMSBKCLSSA-N 0 0 387.524 4.132 40 0 GIABRN COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)CCn2nc(C)c(C)c2C)cc1 ZINC000012366630 570647120 /nfs/dbraw/zinc/64/71/20/570647120.db2.gz CTZQISWRVNXGSI-WMIMKTLMSA-N 0 0 395.547 4.296 40 0 GIABRN COc1ccc(C=O)cc1CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000012371093 570647737 /nfs/dbraw/zinc/64/77/37/570647737.db2.gz BKTFIJVUVIDMKI-UHFFFAOYSA-N 0 0 379.287 4.137 40 0 GIABRN Cc1nc2c(nnn2Cc2ccccc2)c(Nc2cccc(C(F)(F)F)c2)n1 ZINC000004922280 570648955 /nfs/dbraw/zinc/64/89/55/570648955.db2.gz VDUAFGXUYYNPAS-UHFFFAOYSA-N 0 0 384.365 4.340 40 0 GIABRN COC(=O)c1cccc(NC(=O)c2sc3nc4ccccc4cc3c2N)c1 ZINC000004929863 570649310 /nfs/dbraw/zinc/64/93/10/570649310.db2.gz PPGMRVNOBQWIGS-UHFFFAOYSA-N 0 0 377.425 4.071 40 0 GIABRN COc1cccc(NC(=O)CSc2nnc(COc3cccc(C)c3C)o2)c1 ZINC000059176134 570651211 /nfs/dbraw/zinc/65/12/11/570651211.db2.gz XPUHABZLMSWZDQ-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN Cc1cc(NC(=O)C(Cl)(Cl)Cl)cc(C)c1I ZINC000059294122 570653020 /nfs/dbraw/zinc/65/30/20/570653020.db2.gz OSJRBSWFXHQBTG-UHFFFAOYSA-N 0 0 392.451 4.217 40 0 GIABRN CCCCOc1ccc(-c2nnn(CC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1 ZINC000004973939 570655579 /nfs/dbraw/zinc/65/55/79/570655579.db2.gz MUBKGICKISSVED-UHFFFAOYSA-N 0 0 399.882 4.120 40 0 GIABRN O=C(Nc1ccc(F)cc1F)NC1(C(=O)NCc2cccs2)CCCCC1 ZINC000004982229 570656306 /nfs/dbraw/zinc/65/63/06/570656306.db2.gz ZJKXJDMJZIIBLD-UHFFFAOYSA-N 0 0 393.459 4.167 40 0 GIABRN O=C(NC1CCCCC1)[C@@H](OC(=O)C1=Cc2ccccc2OC1)c1ccccc1 ZINC000004982301 570656359 /nfs/dbraw/zinc/65/63/59/570656359.db2.gz CLGHAQSMBUXYIF-QFIPXVFZSA-N 0 0 391.467 4.196 40 0 GIABRN C[C@@H](CCc1ccco1)NC(=O)NC1CCN(c2nc3ccccc3s2)CC1 ZINC000005016394 570657117 /nfs/dbraw/zinc/65/71/17/570657117.db2.gz ARJOMRDOEUZVEB-HNNXBMFYSA-N 0 0 398.532 4.179 40 0 GIABRN C[C@@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)[C@@H](C)C1 ZINC000005043622 570658251 /nfs/dbraw/zinc/65/82/51/570658251.db2.gz XYFJGNDRIGZIKX-IATRGZMQSA-N 0 0 396.413 4.397 40 0 GIABRN Cc1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)cs1 ZINC000006681753 570671788 /nfs/dbraw/zinc/67/17/88/570671788.db2.gz ZJSCURHVMPRMTA-UHFFFAOYSA-N 0 0 390.461 4.249 40 0 GIABRN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)cc1)S[C@H](C)C(=O)N2 ZINC000006679036 570673178 /nfs/dbraw/zinc/67/31/78/570673178.db2.gz YKYZPBJYYHWWAN-KUHUBIRLSA-N 0 0 379.485 4.358 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@@H]3c2ccc(O)cc2)cc1 ZINC000006679316 570673455 /nfs/dbraw/zinc/67/34/55/570673455.db2.gz MDBLWYKAVCXRSF-ORAYPTAESA-N 0 0 395.484 4.058 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@@H]3c2ccc(O)cc2)cc1 ZINC000006679318 570673487 /nfs/dbraw/zinc/67/34/87/570673487.db2.gz MDBLWYKAVCXRSF-BFUOFWGJSA-N 0 0 395.484 4.058 40 0 GIABRN Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1cccc(O)c1)S[C@@H](C)C(=O)N2 ZINC000006679210 570673542 /nfs/dbraw/zinc/67/35/42/570673542.db2.gz RFDAXSNLIWXUDK-SGTLLEGYSA-N 0 0 383.448 4.189 40 0 GIABRN COc1ccc([C@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)cc1 ZINC000006679358 570673608 /nfs/dbraw/zinc/67/36/08/570673608.db2.gz XKAJOWUWFYBNEJ-AUUYWEPGSA-N 0 0 379.485 4.353 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@@H]3c2ccccc2)cc1 ZINC000006679258 570673648 /nfs/dbraw/zinc/67/36/48/570673648.db2.gz FTXOXDNKTQEHJO-AUUYWEPGSA-N 0 0 379.485 4.353 40 0 GIABRN Cc1sc(C(=O)Nc2c(C)cc(C)cc2C)cc1S(=O)(=O)N1CCCC1 ZINC000006679699 570673858 /nfs/dbraw/zinc/67/38/58/570673858.db2.gz LMRQJSLJSOYLLI-UHFFFAOYSA-N 0 0 392.546 4.019 40 0 GIABRN C[C@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccc(Cl)cc3)c2)C1 ZINC000006680887 570674897 /nfs/dbraw/zinc/67/48/97/570674897.db2.gz QBILVISKLPEJMC-LBPRGKRZSA-N 0 0 398.937 4.074 40 0 GIABRN O=C(NC1CCCCC1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCCC1 ZINC000008578883 570680801 /nfs/dbraw/zinc/68/08/01/570680801.db2.gz KVVCHABRSZOYQY-UHFFFAOYSA-N 0 0 382.508 4.100 40 0 GIABRN COc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(OC)c1C ZINC000409007959 570692656 /nfs/dbraw/zinc/69/26/56/570692656.db2.gz SWQHRHHMCGMFPD-AQTBWJFISA-N 0 0 383.469 4.291 40 0 GIABRN Cc1ccc(CNC(=S)Nc2nc(Cl)cc(N3CCC[C@H](C)C3)n2)cc1 ZINC000260718027 570699740 /nfs/dbraw/zinc/69/97/40/570699740.db2.gz QTBUZCFBMYJXAA-AWEZNQCLSA-N 0 0 389.956 4.161 40 0 GIABRN COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc(Cl)c1OC ZINC000260756001 570702975 /nfs/dbraw/zinc/70/29/75/570702975.db2.gz CRWYQJVFDJPHPJ-ZTFRIQLXSA-N 0 0 389.908 4.342 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(OC)c(C)c3OC)N21 ZINC000260769223 570703485 /nfs/dbraw/zinc/70/34/85/570703485.db2.gz KNQAIXIYGHGFLO-CCKFTAQKSA-N 0 0 383.517 4.387 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3ccccn3)N21 ZINC000260766230 570704288 /nfs/dbraw/zinc/70/42/88/570704288.db2.gz JKOOCAAOTJKZHR-XPGWFJOJSA-N 0 0 375.501 4.247 40 0 GIABRN COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1 ZINC000260781578 570705615 /nfs/dbraw/zinc/70/56/15/570705615.db2.gz TWIDZZDPIISSGL-GQWLDOHISA-N 0 0 390.512 4.470 40 0 GIABRN CCOc1c(Br)cc(CNc2ccc3c(c2)OCCO3)cc1OC ZINC000000624040 570708437 /nfs/dbraw/zinc/70/84/37/570708437.db2.gz BQFZEMZEPDSJKL-UHFFFAOYSA-N 0 0 394.265 4.240 40 0 GIABRN CCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 ZINC000001518303 570715825 /nfs/dbraw/zinc/71/58/25/570715825.db2.gz QFQHWJLDXVTFMT-UHFFFAOYSA-N 0 0 384.457 4.478 40 0 GIABRN COC(=O)c1c(NC(=O)CSc2ccc(C)cc2)sc2c1CCCC2 ZINC000001932244 570717985 /nfs/dbraw/zinc/71/79/85/570717985.db2.gz IQXOKHWHMCGMAF-UHFFFAOYSA-N 0 0 375.515 4.453 40 0 GIABRN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000002923362 570722360 /nfs/dbraw/zinc/72/23/60/570722360.db2.gz MRUITIAYLBGSNS-QGZVFWFLSA-N 0 0 388.851 4.088 40 0 GIABRN COc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000005184700 570731246 /nfs/dbraw/zinc/73/12/46/570731246.db2.gz HCPHAIWZDIHTLW-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN CCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000005464133 570733150 /nfs/dbraw/zinc/73/31/50/570733150.db2.gz NJRNMCFFKXXAKW-MRXNPFEDSA-N 0 0 384.451 4.386 40 0 GIABRN CC(C)OC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1 ZINC000005727317 570734370 /nfs/dbraw/zinc/73/43/70/570734370.db2.gz KIPYCZUTTXDSGT-UHFFFAOYSA-N 0 0 392.249 4.032 40 0 GIABRN O=C(C=Cc1ccccc1)C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 ZINC000006281886 570740798 /nfs/dbraw/zinc/74/07/98/570740798.db2.gz VXDVBYRCTSCSGE-UPTOSOBMSA-N 0 0 383.447 4.094 40 0 GIABRN O=C(CCc1ccc(F)cc1)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000060915825 570742372 /nfs/dbraw/zinc/74/23/72/570742372.db2.gz DKEJNGMYGKEKBH-UHFFFAOYSA-N 0 0 390.458 4.370 40 0 GIABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000006386319 570743997 /nfs/dbraw/zinc/74/39/97/570743997.db2.gz HMDZVQKUTYCZNS-UHFFFAOYSA-N 0 0 396.299 4.469 40 0 GIABRN CSC1=NN2[C@H](c3ccc(Cl)cc3Cl)Nc3ccccc3[C@H]2C(=O)N1 ZINC000588229305 570746354 /nfs/dbraw/zinc/74/63/54/570746354.db2.gz UEVMHTGGDAVZAO-LSDHHAIUSA-N 0 0 393.299 4.225 40 0 GIABRN CCOc1cccc(C(=O)NC(=S)Nc2ccc(N(CC)CC)cc2C)c1 ZINC000006629956 570748227 /nfs/dbraw/zinc/74/82/27/570748227.db2.gz LWNGPDCQBZUKPR-UHFFFAOYSA-N 0 0 385.533 4.367 40 0 GIABRN CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000063850980 570751372 /nfs/dbraw/zinc/75/13/72/570751372.db2.gz KVIYSEJKXAXUMA-UHFFFAOYSA-N 0 0 396.468 4.262 40 0 GIABRN CC[C@@](Br)([C@H](O)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC ZINC000096521621 570755182 /nfs/dbraw/zinc/75/51/82/570755182.db2.gz HDRXAEGQRPGRFR-MSOLQXFVSA-N 0 0 397.334 4.323 40 0 GIABRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000007495666 570759073 /nfs/dbraw/zinc/75/90/73/570759073.db2.gz DCJNHOFCTPYTAW-INIZCTEOSA-N 0 0 392.421 4.130 40 0 GIABRN COc1cccc(CNn2c(C)n[nH]c2=S)c1OCc1ccc(Cl)cc1 ZINC000007602674 570761362 /nfs/dbraw/zinc/76/13/62/570761362.db2.gz JOQVUWCZSCXSFM-UHFFFAOYSA-N 0 0 390.896 4.234 40 0 GIABRN O=C(Nc1ccc(Br)c(Cl)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000007881839 570762380 /nfs/dbraw/zinc/76/23/80/570762380.db2.gz BMFNKGLIXJMBCP-LLVKDONJSA-N 0 0 393.668 4.094 40 0 GIABRN Cc1nn2c(nnc(C(=O)Nc3cccc(C)c3)c2C)c1-c1ccc(F)cc1 ZINC000013610769 570762371 /nfs/dbraw/zinc/76/23/71/570762371.db2.gz BQTJEMDCKHKFCS-UHFFFAOYSA-N 0 0 375.407 4.108 40 0 GIABRN Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)c(C)c1 ZINC000007928082 570763211 /nfs/dbraw/zinc/76/32/11/570763211.db2.gz JHQMGMYKVYTNAY-AWEZNQCLSA-N 0 0 376.378 4.314 40 0 GIABRN O=C(NC(=S)Nc1cccnc1Cl)C(c1ccccc1)c1ccccc1 ZINC000008072179 570764464 /nfs/dbraw/zinc/76/44/64/570764464.db2.gz GJBDLROLNWFNSQ-UHFFFAOYSA-N 0 0 381.888 4.380 40 0 GIABRN CCOc1cc(CNn2c(=S)[nH]nc2-c2ccccc2)cc(Cl)c1OC ZINC000008253697 570765819 /nfs/dbraw/zinc/76/58/19/570765819.db2.gz QVBNWQKPVMASSV-UHFFFAOYSA-N 0 0 390.896 4.412 40 0 GIABRN COc1ccc(/C=C/C(=O)NCCSc2ccc(Cl)cc2)cc1OC ZINC000008125095 570767173 /nfs/dbraw/zinc/76/71/73/570767173.db2.gz DOWAOXWLIAXUHE-ONNFQVAWSA-N 0 0 377.893 4.279 40 0 GIABRN CCn1c(SCCCOc2ccc(C=O)cc2OC)nnc1-c1ccccc1 ZINC000008731794 570772071 /nfs/dbraw/zinc/77/20/71/570772071.db2.gz IZUPQVNWHQVUIE-UHFFFAOYSA-N 0 0 397.500 4.347 40 0 GIABRN O=S(=O)(Cc1ccc(Cl)cc1)NCCSc1ccc(Cl)cc1 ZINC000009694914 570776617 /nfs/dbraw/zinc/77/66/17/570776617.db2.gz DQUQMMWZBZHKCI-UHFFFAOYSA-N 0 0 376.330 4.205 40 0 GIABRN COc1ccc(S(=O)(=O)NCCCc2cccc(C)c2)c(Cl)c1Cl ZINC000010110736 570781589 /nfs/dbraw/zinc/78/15/89/570781589.db2.gz KZQRWRWFPOYWCO-UHFFFAOYSA-N 0 0 388.316 4.222 40 0 GIABRN CCOC(=O)Nc1ccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000010541214 570791451 /nfs/dbraw/zinc/79/14/51/570791451.db2.gz YVHBJZHKLZDBTR-UHFFFAOYSA-N 0 0 378.432 4.310 40 0 GIABRN CCOc1ccc([C@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1OCC ZINC000010543959 570791927 /nfs/dbraw/zinc/79/19/27/570791927.db2.gz KIXDMJFQXLIEPX-KRWDZBQOSA-N 0 0 391.533 4.449 40 0 GIABRN O=S(=O)(NCCCc1ccccc1Cl)c1ccc(Br)cc1 ZINC000010543208 570792044 /nfs/dbraw/zinc/79/20/44/570792044.db2.gz OWENZEINCBUYPX-UHFFFAOYSA-N 0 0 388.714 4.014 40 0 GIABRN Cc1cccc2cc(CNc3cccc(I)c3)c(=O)[nH]c12 ZINC000012492376 570807483 /nfs/dbraw/zinc/80/74/83/570807483.db2.gz XTUCYJMEWKXPHE-UHFFFAOYSA-N 0 0 390.224 4.053 40 0 GIABRN Cc1ccc(C)c([C@H](C)NC(=O)c2ccccc2I)c1 ZINC000013668999 570861868 /nfs/dbraw/zinc/86/18/68/570861868.db2.gz TVPYVHRSJHEKFY-ZDUSSCGKSA-N 0 0 379.241 4.399 40 0 GIABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(I)cc2)cc1 ZINC000013989014 570868278 /nfs/dbraw/zinc/86/82/78/570868278.db2.gz NQGUQFOZLFTCHX-GFCCVEGCSA-N 0 0 381.213 4.006 40 0 GIABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccccc1Cl ZINC000014291292 570881533 /nfs/dbraw/zinc/88/15/33/570881533.db2.gz LMZMMBUMJSBQKV-UHFFFAOYSA-N 0 0 399.863 4.076 40 0 GIABRN O=C(Nc1ccccc1Cl)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000014373183 570882334 /nfs/dbraw/zinc/88/23/34/570882334.db2.gz ZGCZRDHRWDENRT-UHFFFAOYSA-N 0 0 399.299 4.030 40 0 GIABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCSc1ccc(Cl)cc1 ZINC000014400134 570884942 /nfs/dbraw/zinc/88/49/42/570884942.db2.gz BSFSZPNOCDSKHC-GOSISDBHSA-N 0 0 379.909 4.415 40 0 GIABRN CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(Br)cc2F)CC1 ZINC000044713521 570885516 /nfs/dbraw/zinc/88/55/16/570885516.db2.gz ZDFQZYWERRIWKC-UHFFFAOYSA-N 0 0 386.261 4.418 40 0 GIABRN Cc1cccc(N(CC(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)c1C ZINC000014411493 570891433 /nfs/dbraw/zinc/89/14/33/570891433.db2.gz DEKPDBYXUNSILK-UHFFFAOYSA-N 0 0 388.533 4.140 40 0 GIABRN Cc1ccc(C)c(N(CCCC(=O)Nc2c(C)cccc2C)S(C)(=O)=O)c1 ZINC000014400829 570891990 /nfs/dbraw/zinc/89/19/90/570891990.db2.gz ZUTOYFDXXLBCGB-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN COc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1Cl ZINC000030289541 570908378 /nfs/dbraw/zinc/90/83/78/570908378.db2.gz KMNDSCCAVTXOLQ-UHFFFAOYSA-N 0 0 387.888 4.417 40 0 GIABRN Cc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C(=O)Nc2ccccc2)c1 ZINC000015935838 570908803 /nfs/dbraw/zinc/90/88/03/570908803.db2.gz XJAKBKKJELOXHL-SEJPIABJSA-N 0 0 377.488 4.342 40 0 GIABRN CC(=O)Nc1ccc2nc(NC(=O)COc3cccc4ccccc43)sc2c1 ZINC000016321423 570912871 /nfs/dbraw/zinc/91/28/71/570912871.db2.gz KBEFVQFFZRBPOP-UHFFFAOYSA-N 0 0 391.452 4.425 40 0 GIABRN FC(F)(F)c1ccc(NC(=S)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000017077556 570916799 /nfs/dbraw/zinc/91/67/99/570916799.db2.gz UIIIKZKRPSXTAM-UHFFFAOYSA-N 0 0 379.451 4.220 40 0 GIABRN C[C@H]1C[C@H](NC(=O)[C@@]2(C)CC2(Br)Br)CC(C)(C)C1 ZINC000017077897 570917175 /nfs/dbraw/zinc/91/71/75/570917175.db2.gz WSBIMAVZWQQWPS-OUJBWJOFSA-N 0 0 381.152 4.214 40 0 GIABRN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc(Cl)cc1Cl ZINC000019987458 570933671 /nfs/dbraw/zinc/93/36/71/570933671.db2.gz FUHYGHLWELHTNO-UHFFFAOYSA-N 0 0 385.634 4.011 40 0 GIABRN COc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 ZINC000020411004 570946142 /nfs/dbraw/zinc/94/61/42/570946142.db2.gz GGHWKGXJARZFSN-UHFFFAOYSA-N 0 0 393.424 4.403 40 0 GIABRN COC(=O)c1ccc2nc(NC(=O)COc3ccc(C(C)(C)C)cc3)sc2c1 ZINC000020412402 570946362 /nfs/dbraw/zinc/94/63/62/570946362.db2.gz AXCSHJKIRMVDFS-UHFFFAOYSA-N 0 0 398.484 4.398 40 0 GIABRN CC1(C)CC(=O)C2=C(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)NN[C@H]2C1 ZINC000228978166 570952168 /nfs/dbraw/zinc/95/21/68/570952168.db2.gz ICVQIIZUUFETOB-WCQYABFASA-N 0 0 378.316 4.405 40 0 GIABRN CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@@H]2CCC[C@H](C)C2)cc1 ZINC000004017168 570965602 /nfs/dbraw/zinc/96/56/02/570965602.db2.gz HMHGFNNDQDOWCS-BOUXLOLZSA-N 0 0 386.492 4.225 40 0 GIABRN COc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1Cl ZINC000243535701 570987639 /nfs/dbraw/zinc/98/76/39/570987639.db2.gz OFYGSPUCXNSRTF-UHFFFAOYSA-N 0 0 386.879 4.148 40 0 GIABRN CC(=O)NC[C@H]1CC[C@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)CC1 ZINC000585166780 570994933 /nfs/dbraw/zinc/99/49/33/570994933.db2.gz UVVMCNNVIXTTKZ-IYARVYRRSA-N 0 0 381.520 4.031 40 0 GIABRN Cc1c(Br)c(Br)ccc1I ZINC000065356393 571000209 /nfs/dbraw/zinc/00/02/09/571000209.db2.gz YGEUFGRQBXIUGC-UHFFFAOYSA-N 0 0 375.829 4.125 40 0 GIABRN Cc1ccc(Nc2cc(-c3ccccn3)nc(NC3CC3)n2)cc1C(F)(F)F ZINC000328956421 571046873 /nfs/dbraw/zinc/04/68/73/571046873.db2.gz AGBZFJCZQJMWHX-UHFFFAOYSA-N 0 0 385.393 4.028 40 0 GIABRN Clc1cccc(CNc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)c1 ZINC000328965237 571047691 /nfs/dbraw/zinc/04/76/91/571047691.db2.gz CBFFKLNCBSVXSE-UHFFFAOYSA-N 0 0 393.922 4.393 40 0 GIABRN Cc1ccc(N2C[C@H](C(=O)OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1 ZINC000016292901 571049403 /nfs/dbraw/zinc/04/94/03/571049403.db2.gz RDCUPISVWAKYJK-CQSZACIVSA-N 0 0 378.255 4.398 40 0 GIABRN C[C@H](C(=O)Nc1cccc(Cl)c1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000005293218 817569797 /nfs/dbraw/zinc/56/97/97/817569797.db2.gz COIMLJYKTJQHDD-GFCCVEGCSA-N 0 0 386.860 4.029 40 0 GIABRN COc1ccc(-c2nc(SCC(=O)Nc3ccccc3C(F)F)n[nH]2)cc1 ZINC000006230602 817669628 /nfs/dbraw/zinc/66/96/28/817669628.db2.gz YQBOALKYCMENKE-UHFFFAOYSA-N 0 0 390.415 4.149 40 0 GIABRN CCCN1C(=O)S/C(=C/c2ccc(OCc3ccncc3)c(OC)c2)C1=O ZINC000006323937 817676076 /nfs/dbraw/zinc/67/60/76/817676076.db2.gz BFPWWBHFGWMMDW-LDADJPATSA-N 0 0 384.457 4.116 40 0 GIABRN CCN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)C1=O ZINC000006325790 817676916 /nfs/dbraw/zinc/67/69/16/817676916.db2.gz BOGROZUJHOVUCG-OQLLNIDSSA-N 0 0 391.832 4.443 40 0 GIABRN CCN1C(=O)S/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)C1=O ZINC000006325816 817677018 /nfs/dbraw/zinc/67/70/18/817677018.db2.gz XZIPINZFVNPZGG-KPKJPENVSA-N 0 0 379.800 4.118 40 0 GIABRN CSc1nnc(C)n1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000006452408 817693070 /nfs/dbraw/zinc/69/30/70/817693070.db2.gz AGDOEIIEYKNYEH-UHFFFAOYSA-N 0 0 383.260 4.259 40 0 GIABRN O=C(/C=C/c1ccco1)NC(=S)Nc1cccc(Cl)c1N1CCCC1 ZINC000006547964 817703178 /nfs/dbraw/zinc/70/31/78/817703178.db2.gz MKCQGZNDKLGVFI-CMDGGOBGSA-N 0 0 375.881 4.060 40 0 GIABRN CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)cc1 ZINC000006650949 817715725 /nfs/dbraw/zinc/71/57/25/817715725.db2.gz NOJYXRZBBVQNBH-BOPFTXTBSA-N 0 0 391.489 4.101 40 0 GIABRN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000006932033 817727325 /nfs/dbraw/zinc/72/73/25/817727325.db2.gz KZQJRTODKNGHNR-OAHLLOKOSA-N 0 0 393.314 4.418 40 0 GIABRN Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000006961694 817729582 /nfs/dbraw/zinc/72/95/82/817729582.db2.gz OIYHKVHQUVTFJN-RGEXLXHISA-N 0 0 376.504 4.126 40 0 GIABRN CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)o2)cc1 ZINC000007605026 817878456 /nfs/dbraw/zinc/87/84/56/817878456.db2.gz MTINZPOHJHDYTK-UHFFFAOYSA-N 0 0 396.472 4.043 40 0 GIABRN CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cccc(C(C)=O)c2)CC1=O ZINC000007928181 817961889 /nfs/dbraw/zinc/96/18/89/817961889.db2.gz VYIAPTUGEBVJBA-LJQANCHMSA-N 0 0 378.472 4.006 40 0 GIABRN COc1ccccc1N1C[C@@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O ZINC000007929016 817962280 /nfs/dbraw/zinc/96/22/80/817962280.db2.gz QECSJGGLEAHNMU-IBGZPJMESA-N 0 0 387.435 4.321 40 0 GIABRN COc1ccccc1O[C@@H](C)C(=O)NCCSCc1c(F)cccc1Cl ZINC000008041765 817988525 /nfs/dbraw/zinc/98/85/25/817988525.db2.gz IREWULCBTBGYJJ-ZDUSSCGKSA-N 0 0 397.899 4.305 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000008051154 817989240 /nfs/dbraw/zinc/98/92/40/817989240.db2.gz FETWDCVCRYZHOE-MECCDNJOSA-N 0 0 398.934 4.355 40 0 GIABRN CCc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1 ZINC000008083453 817995992 /nfs/dbraw/zinc/99/59/92/817995992.db2.gz YNNLXJARWFPWKQ-LICLKQGHSA-N 0 0 384.432 4.063 40 0 GIABRN CCc1ccc(N2C(=O)/C(=C\c3ccccc3OC)C(C(=O)OC)=C2C)cc1 ZINC000008085675 817996383 /nfs/dbraw/zinc/99/63/83/817996383.db2.gz SJKHRUXOVPYAFQ-RGEXLXHISA-N 0 0 377.440 4.135 40 0 GIABRN CCc1ccccc1NC(=O)Cn1nc(COc2cccc(C)c2)oc1=S ZINC000008088470 817997692 /nfs/dbraw/zinc/99/76/92/817997692.db2.gz QCIMJPQNRSALFS-UHFFFAOYSA-N 0 0 383.473 4.294 40 0 GIABRN COc1ccc(C[C@@H]2SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC ZINC000008164841 818010057 /nfs/dbraw/zinc/01/00/57/818010057.db2.gz PKZQLBRREHAATN-KRWDZBQOSA-N 0 0 391.876 4.164 40 0 GIABRN CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC[C@@H](OC)C1)c1nc2cccnc2n1C(C)C ZINC000012114125 818143017 /nfs/dbraw/zinc/14/30/17/818143017.db2.gz WTPIMVBSPBFFDA-FAJBIJEISA-N 0 0 386.540 4.421 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)cc1 ZINC000015344734 818314776 /nfs/dbraw/zinc/31/47/76/818314776.db2.gz UCBRPGFVQXVIIX-UHFFFAOYSA-N 0 0 386.517 4.167 40 0 GIABRN C[C@@H]1CCc2c(sc(NC(=O)COc3cccc4ccccc43)c2C(N)=O)C1 ZINC000016004393 818383786 /nfs/dbraw/zinc/38/37/86/818383786.db2.gz PXKQZXYJFYPNTG-CYBMUJFWSA-N 0 0 394.496 4.143 40 0 GIABRN COc1ccc(NC2=NC(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)S2)cc1 ZINC000016440261 818442190 /nfs/dbraw/zinc/44/21/90/818442190.db2.gz XVXLWSNRUPBZAU-OQLLNIDSSA-N 0 0 389.820 4.339 40 0 GIABRN COc1cccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3snnc3C)c2)c1 ZINC000019690644 818598748 /nfs/dbraw/zinc/59/87/48/818598748.db2.gz XTYZVLYFGLTOOW-IBGZPJMESA-N 0 0 394.500 4.203 40 0 GIABRN Cc1c(CN2CCO[C@@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)cnn1C ZINC000019692592 818599381 /nfs/dbraw/zinc/59/93/81/818599381.db2.gz HQLFRZDXRSDPTD-OAQYLSRUSA-N 0 0 382.895 4.017 40 0 GIABRN Cc1c(CN2CCO[C@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)cnn1C ZINC000019692593 818599553 /nfs/dbraw/zinc/59/95/53/818599553.db2.gz HQLFRZDXRSDPTD-NRFANRHFSA-N 0 0 382.895 4.017 40 0 GIABRN Cc1ccc(Cc2ccc([C@H]3CN(C(=O)C4CCCCC4)CCO3)nc2)cc1 ZINC000019692869 818599569 /nfs/dbraw/zinc/59/95/69/818599569.db2.gz AHQFBFNOSBFKFA-HSZRJFAPSA-N 0 0 378.516 4.461 40 0 GIABRN O=C(Cc1ccccc1)N1CC[C@H](c2cc(COc3ccc(Cl)cc3)n[nH]2)C1 ZINC000019696186 818599966 /nfs/dbraw/zinc/59/99/66/818599966.db2.gz BBBGRGOZMNKSEL-KRWDZBQOSA-N 0 0 395.890 4.201 40 0 GIABRN O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1cc(CCOc2ccccc2F)n[nH]1 ZINC000019703663 818600846 /nfs/dbraw/zinc/60/08/46/818600846.db2.gz HHSGGCIQZXYFFY-HXUWFJFHSA-N 0 0 397.425 4.287 40 0 GIABRN CC(=O)N1[C@H](c2ccccc2)C[C@@]2(C)[C@@H]1CCCCCN2C(=O)c1ccccn1 ZINC000019713518 818603262 /nfs/dbraw/zinc/60/32/62/818603262.db2.gz DNNFNGYJIMASTM-FIXSFTCYSA-N 0 0 391.515 4.219 40 0 GIABRN CCn1c(CNC(=O)c2ccccc2)nnc1SCc1ccc(Cl)cc1 ZINC000033582159 821057632 /nfs/dbraw/zinc/05/76/32/821057632.db2.gz KTMAJBHGXUMDMQ-UHFFFAOYSA-N 0 0 386.908 4.174 40 0 GIABRN O=C(CNC(=O)C(c1ccccc1)c1ccccc1)NC1CCCCCCC1 ZINC000033608353 821058156 /nfs/dbraw/zinc/05/81/56/821058156.db2.gz QUFGZXUZOBEXBL-UHFFFAOYSA-N 0 0 378.516 4.164 40 0 GIABRN COc1ccc(C)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000033624077 821058366 /nfs/dbraw/zinc/05/83/66/821058366.db2.gz DGUBCJLFSXDPEL-UHFFFAOYSA-N 0 0 381.497 4.395 40 0 GIABRN O=C(NC(=S)Nc1ncccc1O)c1sc2cc(Cl)ccc2c1Cl ZINC000033660698 821058730 /nfs/dbraw/zinc/05/87/30/821058730.db2.gz JTMRPIMNHGZJQU-UHFFFAOYSA-N 0 0 398.296 4.436 40 0 GIABRN COc1ccc([C@@H](C)NC(=O)COc2ccc(Br)c(C)c2)cc1 ZINC000216400595 222575992 /nfs/dbraw/zinc/57/59/92/222575992.db2.gz DXQRALZOAAMVIW-CYBMUJFWSA-N 0 0 378.266 4.022 40 0 GIABRN COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)c1c(F)cccc1F ZINC000019570942 210267485 /nfs/dbraw/zinc/26/74/85/210267485.db2.gz IKJQBFSPPKFLBM-GOSISDBHSA-N 0 0 397.425 4.026 40 0 GIABRN Cc1noc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)CCc2ccccc2)c1C ZINC000019558133 210263361 /nfs/dbraw/zinc/26/33/61/210263361.db2.gz SJHXKOFMIKUIBN-HXUWFJFHSA-N 0 0 392.503 4.378 40 0 GIABRN COc1cc2c(cc1OC)[C@H](c1ccccc1F)N(CC1=CCCOC1)CC2 ZINC000019550681 210261842 /nfs/dbraw/zinc/26/18/42/210261842.db2.gz VYOLBHVGJYRKLK-QHCPKHFHSA-N 0 0 383.463 4.137 40 0 GIABRN COc1cc(CN[C@H](Cc2cccs2)c2nccs2)cc(OC)c1OC ZINC000019549922 210259151 /nfs/dbraw/zinc/25/91/51/210259151.db2.gz IQGCGZOEFBMOJB-OAHLLOKOSA-N 0 0 390.530 4.304 40 0 GIABRN CCOc1ccc(O[C@H](C)C(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)cc1 ZINC000019533576 210258408 /nfs/dbraw/zinc/25/84/08/210258408.db2.gz PAEPFOKBUZGKRA-MRXNPFEDSA-N 0 0 393.487 4.135 40 0 GIABRN CCNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C(C)(C)C)C1 ZINC000019528769 210258469 /nfs/dbraw/zinc/25/84/69/210258469.db2.gz OCONYHNIUVYCBJ-VWLOTQADSA-N 0 0 392.543 4.297 40 0 GIABRN CCc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)C4=CCCCC4)C3)cc2n1 ZINC000019522356 210256048 /nfs/dbraw/zinc/25/60/48/210256048.db2.gz FCWSDDXOBFXHJN-AWEZNQCLSA-N 0 0 392.425 4.127 40 0 GIABRN CCCC(=O)N1CC[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 ZINC000019501026 210255360 /nfs/dbraw/zinc/25/53/60/210255360.db2.gz GOOWFEHCDJTTNO-QFIPXVFZSA-N 0 0 384.545 4.065 40 0 GIABRN CCC[C@H](C)C(=O)N(C)C1CCC2(CC1)CN(C(C)=O)Cc1ccccc1O2 ZINC000019501833 210255511 /nfs/dbraw/zinc/25/55/11/210255511.db2.gz VXMSMKPZIUIHCK-JVPSVYLMSA-N 0 0 386.536 4.004 40 0 GIABRN CCCC(=O)N1CCC[C@@](Cc2cccc(-c3cccs3)c2)(C(=O)N(C)C)C1 ZINC000019501218 210254972 /nfs/dbraw/zinc/25/49/72/210254972.db2.gz RNVUHJUFHQJBQX-QHCPKHFHSA-N 0 0 398.572 4.455 40 0 GIABRN CCC[C@@H](C)C(=O)N(C)C1CCC2(CC1)CN(C(C)=O)Cc1ccccc1O2 ZINC000019501832 210254433 /nfs/dbraw/zinc/25/44/33/210254433.db2.gz VXMSMKPZIUIHCK-WMAFBANVSA-N 0 0 386.536 4.004 40 0 GIABRN CCCC(=O)N1CC[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)NCC)C1 ZINC000019501028 210254175 /nfs/dbraw/zinc/25/41/75/210254175.db2.gz KWCUICHDVXJCBF-QFIPXVFZSA-N 0 0 384.545 4.113 40 0 GIABRN CC[C@@H](C(=O)N1CCC(c2nnsc2-c2cc(C)no2)CC1)c1ccccc1 ZINC000019500531 210254244 /nfs/dbraw/zinc/25/42/44/210254244.db2.gz YMPOUNHUJWCPNP-QGZVFWFLSA-N 0 0 396.516 4.401 40 0 GIABRN CCCC(=O)N1CCC[C@@](Cc2ccccc2-c2cccs2)(C(=O)N(C)C)C1 ZINC000019501244 210254268 /nfs/dbraw/zinc/25/42/68/210254268.db2.gz SYNRXNYDHSQHMZ-QHCPKHFHSA-N 0 0 398.572 4.455 40 0 GIABRN CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)CC)C1 ZINC000019498620 210253470 /nfs/dbraw/zinc/25/34/70/210253470.db2.gz XHFRCSKXCRNFFS-QFIPXVFZSA-N 0 0 384.545 4.113 40 0 GIABRN C[C@H]1CCc2c(C(=O)N3CCC(c4cc5nccnc5[nH]4)CC3)csc2C1 ZINC000019497178 210252665 /nfs/dbraw/zinc/25/26/65/210252665.db2.gz ZDMHXFXOIGXMIJ-ZDUSSCGKSA-N 0 0 380.517 4.164 40 0 GIABRN C[C@H]1Cc2cc(CC(=O)N3CCC[C@@H](COc4ccccc4F)C3)ccc2O1 ZINC000019498078 210252393 /nfs/dbraw/zinc/25/23/93/210252393.db2.gz INJNXKHWKBLGOA-FUHWJXTLSA-N 0 0 383.463 4.009 40 0 GIABRN CCC(=O)N1CCC[C@](Cc2ccc(-c3ccccc3F)cc2)(C(=O)N(C)C)C1 ZINC000019498600 210251823 /nfs/dbraw/zinc/25/18/23/210251823.db2.gz ICPNONABBDXJDD-XMMPIXPASA-N 0 0 396.506 4.142 40 0 GIABRN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000019947325 230902843 /nfs/dbraw/zinc/90/28/43/230902843.db2.gz FSGSDKDYYZLRSB-UHFFFAOYSA-N 0 0 394.496 4.137 40 0 GIABRN COc1ccc([C@H](C)NC(=O)c2cc(-c3ccncc3)c3cnccc3n2)cc1 ZINC000019458730 210251364 /nfs/dbraw/zinc/25/13/64/210251364.db2.gz YTOZQPONCUXOBX-HNNXBMFYSA-N 0 0 384.439 4.191 40 0 GIABRN C[C@@H](CC(=O)N1CCC(c2onc3c2C[C@@H](C(C)(C)C)CC3)CC1)n1ccnc1 ZINC000019455120 210251272 /nfs/dbraw/zinc/25/12/72/210251272.db2.gz CDHIAGYAFZYRON-WMZOPIPTSA-N 0 0 398.551 4.379 40 0 GIABRN COc1ccc([C@@H](C)NC(=O)c2cc(-c3cccnc3)c3cnccc3n2)cc1 ZINC000019458724 210250802 /nfs/dbraw/zinc/25/08/02/210250802.db2.gz DNUAVWOVZVKIPJ-OAHLLOKOSA-N 0 0 384.439 4.191 40 0 GIABRN COc1ccc([C@@H](NC(=O)[C@@H](C)n2ccnc2C(C)C)c2ccccc2)cc1 ZINC000019454315 210250583 /nfs/dbraw/zinc/25/05/83/210250583.db2.gz MHLXAUJMUDUQIU-UTKZUKDTSA-N 0 0 377.488 4.482 40 0 GIABRN Cc1ccc(SCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222627909 231031906 /nfs/dbraw/zinc/03/19/06/231031906.db2.gz FYRHSNDKVKJNAQ-GOSISDBHSA-N 0 0 398.572 4.419 40 0 GIABRN COc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccc(F)cc1 ZINC000408616509 231081422 /nfs/dbraw/zinc/08/14/22/231081422.db2.gz ZIGQMCKIAFQEGN-UHFFFAOYSA-N 0 0 378.403 4.017 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)N1CCCCC1 ZINC000408562464 231062605 /nfs/dbraw/zinc/06/26/05/231062605.db2.gz PSSOCFGBWZVRAZ-UHFFFAOYSA-N 0 0 393.896 4.159 40 0 GIABRN COc1ccc(-c2cc(C)nc(SCC(=O)Nc3cccc(C)c3)n2)cc1 ZINC000408583690 231066698 /nfs/dbraw/zinc/06/66/98/231066698.db2.gz WQHCZBAXLODMCY-UHFFFAOYSA-N 0 0 379.485 4.500 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C(=O)NCC(C)C ZINC000408584244 231067310 /nfs/dbraw/zinc/06/73/10/231067310.db2.gz NKDYXVZIGGILEA-UHFFFAOYSA-N 0 0 394.924 4.143 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)c2)cc1C ZINC000408670103 231092608 /nfs/dbraw/zinc/09/26/08/231092608.db2.gz IATJKFOFAGLGEU-IWMITWMQSA-N 0 0 388.467 4.257 40 0 GIABRN Cc1ccc(N2C[C@@H](C(=O)Oc3cccc4cccnc43)CC2=O)cc1Cl ZINC000408674399 231093170 /nfs/dbraw/zinc/09/31/70/231093170.db2.gz ZJCWTGBCBURPOD-HNNXBMFYSA-N 0 0 380.831 4.155 40 0 GIABRN Cc1ccc(-n2nc(C(=O)OCC(=O)c3ccccc3)nc2-c2ccccc2)cc1 ZINC000408699804 231097718 /nfs/dbraw/zinc/09/77/18/231097718.db2.gz ZMOGEZDJNPEXIR-UHFFFAOYSA-N 0 0 397.434 4.282 40 0 GIABRN CCn1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c(=O)c2cc(C)ccc21 ZINC000408712941 231102840 /nfs/dbraw/zinc/10/28/40/231102840.db2.gz CHRLULMLZMKBOA-UHFFFAOYSA-N 0 0 388.511 4.425 40 0 GIABRN Cc1cc(OCC(=O)N(C)Cc2nnc(-c3ccccc3)o2)cc(C)c1Cl ZINC000408714017 231104192 /nfs/dbraw/zinc/10/41/92/231104192.db2.gz GOJHMWGLDBGTBV-UHFFFAOYSA-N 0 0 385.851 4.044 40 0 GIABRN O=C(NCCc1nc(-c2ccccc2)cs1)c1cccc(Cn2cccn2)c1 ZINC000019374335 210246933 /nfs/dbraw/zinc/24/69/33/210246933.db2.gz WOENMCDEBGBYQC-UHFFFAOYSA-N 0 0 388.496 4.027 40 0 GIABRN Cc1ccc(C)c(N2C[C@@H](C(=O)Oc3ccc(Br)cc3)CC2=O)c1 ZINC000408653201 231091639 /nfs/dbraw/zinc/09/16/39/231091639.db2.gz FIAXGSPNROKQLV-AWEZNQCLSA-N 0 0 388.261 4.024 40 0 GIABRN O=C(NC1CCCCC1)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 ZINC000408736926 231108938 /nfs/dbraw/zinc/10/89/38/231108938.db2.gz JUXRWAMMXUEKDL-QFIPXVFZSA-N 0 0 392.499 4.199 40 0 GIABRN Cc1sc(NC(=O)[C@@H](C)NC(=O)OCc2ccccc2)nc1-c1ccccc1 ZINC000408738664 231109428 /nfs/dbraw/zinc/10/94/28/231109428.db2.gz UJXMLIIKIREARY-CQSZACIVSA-N 0 0 395.484 4.372 40 0 GIABRN Cc1cc(C)c(OCC(=O)N2NC3=C(CCCCC3)[C@]2(O)C(F)(F)F)c(C)c1 ZINC000408956990 231135499 /nfs/dbraw/zinc/13/54/99/231135499.db2.gz SCHQVFMBJNMIOC-BEFAXECRSA-N 0 0 398.425 4.020 40 0 GIABRN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1F)Oc1ccccc1 ZINC000409000010 231144683 /nfs/dbraw/zinc/14/46/83/231144683.db2.gz DLUYIADTJSNKAY-FQEVSTJZSA-N 0 0 378.403 4.164 40 0 GIABRN COc1cc(OC)c(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(OC)c1 ZINC000409149047 231172359 /nfs/dbraw/zinc/17/23/59/231172359.db2.gz WJDRVTHKGHGSNU-WOJGMQOQSA-N 0 0 391.489 4.329 40 0 GIABRN COc1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)c2c(OC)cccc12 ZINC000409076506 231155199 /nfs/dbraw/zinc/15/51/99/231155199.db2.gz AHEJQRUJMIWYHI-LGMDPLHJSA-N 0 0 380.444 4.082 40 0 GIABRN COc1cc(OC)c(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1Cl ZINC000409084285 231157532 /nfs/dbraw/zinc/15/75/32/231157532.db2.gz VCCHHCHGZFGULK-GDNBJRDFSA-N 0 0 394.924 4.090 40 0 GIABRN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccncc3)n2CC(C)C)c1 ZINC000409102325 231160552 /nfs/dbraw/zinc/16/05/52/231160552.db2.gz RYAQEXIDGVVNQT-UHFFFAOYSA-N 0 0 395.532 4.344 40 0 GIABRN CSc1ccc([C@@H](c2c[nH]c3ccccc32)C2C(=O)OC(C)(C)OC2=O)cc1 ZINC000409109628 231162921 /nfs/dbraw/zinc/16/29/21/231162921.db2.gz IISLZHHJMNJEBS-SFHVURJKSA-N 0 0 395.480 4.474 40 0 GIABRN C[C@@H]1CCCC2=C1NN(C(=O)c1ccc(C(C)(C)C)cc1)[C@]2(O)C(F)(F)F ZINC000409178483 231175148 /nfs/dbraw/zinc/17/51/48/231175148.db2.gz KDCYZFYPHVPDRC-XFHNUULXSA-N 0 0 382.426 4.483 40 0 GIABRN CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccccc1 ZINC000409328806 231189617 /nfs/dbraw/zinc/18/96/17/231189617.db2.gz BBGDXZAHITUPOV-UHFFFAOYSA-N 0 0 396.516 4.225 40 0 GIABRN C[C@H](NC(=O)c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1C ZINC000409340015 231192686 /nfs/dbraw/zinc/19/26/86/231192686.db2.gz ORDDUECUBPBRNP-ZDUSSCGKSA-N 0 0 386.908 4.252 40 0 GIABRN COc1ccc(/C=C/C(=O)Nc2cccc(Br)c2)c(OC)c1OC ZINC000409382923 231198270 /nfs/dbraw/zinc/19/82/70/231198270.db2.gz YCRLNZLXQIZAKS-CSKARUKUSA-N 0 0 392.249 4.127 40 0 GIABRN CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccccc1O ZINC000409412118 231203118 /nfs/dbraw/zinc/20/31/18/231203118.db2.gz RSBNXHDCNGDCRQ-UHFFFAOYSA-N 0 0 382.489 4.018 40 0 GIABRN CC[C@@H](C)n1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)c2ccccc21 ZINC000409104262 529437122 /nfs/dbraw/zinc/43/71/22/529437122.db2.gz GXUNLNPUWHRMRM-ZMRQWQKBSA-N 0 0 386.473 4.210 40 0 GIABRN NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)CC2CCCC2)C1 ZINC000019333497 210241734 /nfs/dbraw/zinc/24/17/34/210241734.db2.gz BPDHZTSNJKWVOD-HSZRJFAPSA-N 0 0 396.556 4.242 40 0 GIABRN Clc1cccc(CN(CCCN2CCOCC2)Cc2cccnc2)c1Cl ZINC000019292601 210239529 /nfs/dbraw/zinc/23/95/29/210239529.db2.gz ZHJDPBGBTUHNOY-UHFFFAOYSA-N 0 0 394.346 4.113 40 0 GIABRN CCc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccco3)c2)cc1 ZINC000408628620 529601580 /nfs/dbraw/zinc/60/15/80/529601580.db2.gz VJSFQOPTWRTLIG-UHFFFAOYSA-N 0 0 393.468 4.221 40 0 GIABRN Cc1cnccc1-c1c[nH]nc1[C@@H]1CCCCN1C(=O)Cc1cccc(F)c1 ZINC000019239585 210236049 /nfs/dbraw/zinc/23/60/49/210236049.db2.gz JHMFWPWDPXBUAW-FQEVSTJZSA-N 0 0 378.451 4.216 40 0 GIABRN COc1ccc([C@@H]2N[C@H](c3ncccc3C)Cc3cc(OC)c(OC)cc32)cc1 ZINC000019237836 210235159 /nfs/dbraw/zinc/23/51/59/210235159.db2.gz PVTNZGGNFFVFJV-RDPSFJRHSA-N 0 0 390.483 4.392 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@H]2c2nc(C)ncc2-c2ccncc2C)s1 ZINC000019239835 210234730 /nfs/dbraw/zinc/23/47/30/210234730.db2.gz JAJQGJDWKZBRNW-SFHVURJKSA-N 0 0 393.516 4.206 40 0 GIABRN Cc1cc(-c2cncnc2-c2ccc(CNC(=O)Cc3ccccc3C)cc2)on1 ZINC000019237124 210234526 /nfs/dbraw/zinc/23/45/26/210234526.db2.gz XSQUNFFXXFMYCY-UHFFFAOYSA-N 0 0 398.466 4.274 40 0 GIABRN CCc1ccc(NC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000004285927 529676459 /nfs/dbraw/zinc/67/64/59/529676459.db2.gz CHWRTGZOKUALCY-UHFFFAOYSA-N 0 0 399.541 4.157 40 0 GIABRN CCc1ccc(NCc2cc(I)c(O)c(OC)c2)cc1 ZINC000409122089 529688425 /nfs/dbraw/zinc/68/84/25/529688425.db2.gz YYSBSWFXCXNJJW-UHFFFAOYSA-N 0 0 383.229 4.180 40 0 GIABRN Cc1ccc([C@@H]2CCCN2C(=O)c2cc(C(C)(C)C)n3ncnc3n2)cc1C ZINC000019213831 210231568 /nfs/dbraw/zinc/23/15/68/210231568.db2.gz ZEYSQKAQPDKPKT-SFHVURJKSA-N 0 0 377.492 4.016 40 0 GIABRN Cc1noc(-c2cnc(C)nc2[C@H]2CCCN2C(=O)Cc2ccc(C)cc2)c1C ZINC000019209537 210229420 /nfs/dbraw/zinc/22/94/20/210229420.db2.gz FXMZKAZLZYHYEK-HXUWFJFHSA-N 0 0 390.487 4.271 40 0 GIABRN Cc1ccc(CC(=O)N2CCC[C@H]2c2ccnc3cc(C(C)(C)C)nn32)cc1 ZINC000019209574 210228984 /nfs/dbraw/zinc/22/89/84/210228984.db2.gz PUKIQDICDJYTHL-SFHVURJKSA-N 0 0 376.504 4.241 40 0 GIABRN Cc1noc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)Cc2ccc(C)cc2)c1C ZINC000019209650 210228838 /nfs/dbraw/zinc/22/88/38/210228838.db2.gz KPBYEPHWBFGMDE-HXUWFJFHSA-N 0 0 392.503 4.297 40 0 GIABRN Cc1nn(C[C@H](C)C(=O)N[C@H](c2ccc(C)cc2)c2cccnc2)c(C)c1C ZINC000019136555 210228579 /nfs/dbraw/zinc/22/85/79/210228579.db2.gz PBQZXFWBFBVCPK-KSFYIVLOSA-N 0 0 376.504 4.054 40 0 GIABRN CC[C@H](C)N1C(=O)S/C(=C\c2cc3c(cc2Br)OCO3)C1=O ZINC000409015782 529695526 /nfs/dbraw/zinc/69/55/26/529695526.db2.gz BEEYHCZNVYYOFG-ZGJMHTSCSA-N 0 0 384.251 4.013 40 0 GIABRN COc1ccc(CCN2Cc3cc4cc(C)c(C)cc4nc3OC2=O)cc1OC ZINC000019126612 210227689 /nfs/dbraw/zinc/22/76/89/210227689.db2.gz LAAKBJDHQAJRHH-UHFFFAOYSA-N 0 0 392.455 4.426 40 0 GIABRN Cc1cc2nccc([C@H]3CCCN3C(=O)C3(c4ccc(Cl)cc4)CCC3)n2n1 ZINC000019130688 210227127 /nfs/dbraw/zinc/22/71/27/210227127.db2.gz CVMAGAAOPVELHU-GOSISDBHSA-N 0 0 394.906 4.477 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)[C@@H]1CC=CCC1 ZINC000019017458 210221955 /nfs/dbraw/zinc/22/19/55/210221955.db2.gz DNHAQGWCZMXWLS-ACESQOTJSA-N 0 0 380.532 4.128 40 0 GIABRN CC(=O)N1CCC[C@@H](c2cc(Oc3cccc(F)c3)nc(-c3ccncc3)n2)C1 ZINC000019017017 210221142 /nfs/dbraw/zinc/22/11/42/210221142.db2.gz YJSKPOZYRSVAMC-QGZVFWFLSA-N 0 0 392.434 4.196 40 0 GIABRN CN1c2ccc(Br)cc2C(c2ccccc2Cl)=NCCC1=O ZINC000018322689 210219827 /nfs/dbraw/zinc/21/98/27/210219827.db2.gz QZPBSSRZFZQPKR-UHFFFAOYSA-N 0 0 377.669 4.306 40 0 GIABRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000018109988 210215271 /nfs/dbraw/zinc/21/52/71/210215271.db2.gz PBOXPNFYOKJACS-QWHCGFSZSA-N 0 0 377.893 4.469 40 0 GIABRN Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@@H](c1ccccc1)SC(=N)N2 ZINC000016958341 210199836 /nfs/dbraw/zinc/19/98/36/210199836.db2.gz JQSQKJKBVGSOGK-MRXNPFEDSA-N 0 0 382.876 4.316 40 0 GIABRN CCC(=O)n1cnc2c1SC(c1ccc(Cl)c(Cl)c1)=NN2C(=O)CC ZINC000016806948 210196637 /nfs/dbraw/zinc/19/66/37/210196637.db2.gz NEVOVDVWKJTWJO-UHFFFAOYSA-N 0 0 397.287 4.451 40 0 GIABRN CCc1nn(CC(=O)Nc2ccc(Cl)c(Cl)c2)c(=S)n1-n1cccc1 ZINC000016777756 210196094 /nfs/dbraw/zinc/19/60/94/210196094.db2.gz SKEODWOSOVIJSA-UHFFFAOYSA-N 0 0 396.303 4.035 40 0 GIABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)o2)cc1 ZINC000223958709 222646974 /nfs/dbraw/zinc/64/69/74/222646974.db2.gz VXJVVEDJMWRPFR-UXHICEINSA-N 0 0 392.484 4.119 40 0 GIABRN O=C(Nc1ccccc1F)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000015422172 210159147 /nfs/dbraw/zinc/15/91/47/210159147.db2.gz ZWIQQLGSFJEIBR-UHFFFAOYSA-N 0 0 388.395 4.018 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3F)c2)cc1 ZINC000015422192 210158534 /nfs/dbraw/zinc/15/85/34/210158534.db2.gz AHOYUCHIVUBYDN-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1cccc(Br)c1 ZINC000409085712 530046590 /nfs/dbraw/zinc/04/65/90/530046590.db2.gz ZRUWHRHSPGJLMJ-PTNGSMBKSA-N 0 0 379.323 4.182 40 0 GIABRN Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)c(C)c1 ZINC000014002764 210098730 /nfs/dbraw/zinc/09/87/30/210098730.db2.gz RDRJKBBGIFDHDP-UHFFFAOYSA-N 0 0 380.488 4.337 40 0 GIABRN Cc1cccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccccc3)n2C)c1C ZINC000013849593 210094242 /nfs/dbraw/zinc/09/42/42/210094242.db2.gz DJQDZLFCJYMUGW-MRXNPFEDSA-N 0 0 396.516 4.303 40 0 GIABRN CCc1ccccc1NC(=O)CSc1nnc([C@@H](C)Oc2ccccc2)n1C ZINC000013849614 210093231 /nfs/dbraw/zinc/09/32/31/210093231.db2.gz CGIUSUSRRHTOFI-OAHLLOKOSA-N 0 0 396.516 4.248 40 0 GIABRN CC[C@@H](C(=O)Nc1cccc2ccccc21)N(c1ccccc1)S(C)(=O)=O ZINC000013711054 210081648 /nfs/dbraw/zinc/08/16/48/210081648.db2.gz AHNFAHMEURETFD-FQEVSTJZSA-N 0 0 382.485 4.023 40 0 GIABRN C[C@H](Oc1ccccc1Cl)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000013709886 210081483 /nfs/dbraw/zinc/08/14/83/210081483.db2.gz CCRYDUJUIYZWKD-AWEZNQCLSA-N 0 0 379.287 4.110 40 0 GIABRN CC[C@@H](C(=O)Nc1ccc(C)cc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716093 210083181 /nfs/dbraw/zinc/08/31/81/210083181.db2.gz ILSPXFROSYIMEG-FQEVSTJZSA-N 0 0 388.533 4.104 40 0 GIABRN CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713072 210082865 /nfs/dbraw/zinc/08/28/65/210082865.db2.gz ZVUCCTCDHUOOIP-FQEVSTJZSA-N 0 0 388.533 4.302 40 0 GIABRN CC[C@H](C(=O)Nc1cc(C)ccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711942 210082226 /nfs/dbraw/zinc/08/22/26/210082226.db2.gz NPEDLSLZINFMMA-GOSISDBHSA-N 0 0 394.924 4.140 40 0 GIABRN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 ZINC000013710779 210081941 /nfs/dbraw/zinc/08/19/41/210081941.db2.gz QYFDEZAEMILBFF-SFHVURJKSA-N 0 0 380.488 4.336 40 0 GIABRN Cc1cc(OCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc(C)c1Cl ZINC000013684216 210079839 /nfs/dbraw/zinc/07/98/39/210079839.db2.gz JRSWIUCHHFVMAZ-UHFFFAOYSA-N 0 0 388.895 4.360 40 0 GIABRN O=S(=O)(Cc1c(Cl)cccc1Cl)NCCSc1ccccc1 ZINC000013677781 210078152 /nfs/dbraw/zinc/07/81/52/210078152.db2.gz QGRSZRFUXQJEAF-UHFFFAOYSA-N 0 0 376.330 4.205 40 0 GIABRN Cc1cccc(NC(=O)c2ccn(C(=O)Nc3ccc(Cl)c(Cl)c3)n2)n1 ZINC000013004347 210045769 /nfs/dbraw/zinc/04/57/69/210045769.db2.gz HSOXOTMPPOCYHX-UHFFFAOYSA-N 0 0 390.230 4.226 40 0 GIABRN CC(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCC2)cs1 ZINC000012219413 209923714 /nfs/dbraw/zinc/92/37/14/209923714.db2.gz TZDWBWMGYDRBRH-UHFFFAOYSA-N 0 0 383.517 4.262 40 0 GIABRN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012116088 209910688 /nfs/dbraw/zinc/91/06/88/209910688.db2.gz QEDPYISAYXHKQP-NRFANRHFSA-N 0 0 399.498 4.402 40 0 GIABRN CCCCCC(=O)N[C@H]1c2cc(C)ccc2N(C(=O)c2ccccc2)[C@@H](C)[C@@H]1O ZINC000009289092 209823080 /nfs/dbraw/zinc/82/30/80/209823080.db2.gz YUGXHDQTAIUVTL-RTFZILSDSA-N 0 0 394.515 4.142 40 0 GIABRN O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000008718122 209794914 /nfs/dbraw/zinc/79/49/14/209794914.db2.gz HZIYRBARCDAVND-GRYYTAOJSA-N 0 0 380.532 4.120 40 0 GIABRN COc1cccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)c1 ZINC000006826407 209693519 /nfs/dbraw/zinc/69/35/19/209693519.db2.gz WUEMQMYBLUJEOH-UHFFFAOYSA-N 0 0 391.905 4.394 40 0 GIABRN O=S(=O)(c1ccccc1)N1N=C(c2ccco2)C[C@@H]1c1ccccc1Cl ZINC000006864398 209697490 /nfs/dbraw/zinc/69/74/90/209697490.db2.gz BOTRSEQASYTNTG-GOSISDBHSA-N 0 0 386.860 4.473 40 0 GIABRN CC[C@@H]1C[C@@H](CNC(=O)Nc2ccc(I)cc2)C1(C)C ZINC000005468292 209596934 /nfs/dbraw/zinc/59/69/34/209596934.db2.gz UIAJZRNLRIXGIP-NEPJUHHUSA-N 0 0 386.277 4.485 40 0 GIABRN CCc1ccc2nc(-c3cccc(C)c3)nc(SCC(=O)NCCOC)c2c1 ZINC000004895548 209540290 /nfs/dbraw/zinc/54/02/90/209540290.db2.gz WGLLQAONYHNFOY-UHFFFAOYSA-N 0 0 395.528 4.022 40 0 GIABRN CCOP(=O)(OCC)C(C)(C)NC(=O)c1ccc(Br)cc1 ZINC000003180100 209415308 /nfs/dbraw/zinc/41/53/08/209415308.db2.gz XDUHMOXWPYKVLV-UHFFFAOYSA-N 0 0 378.203 4.181 40 0 GIABRN Cc1c(NC(=O)Nc2c(Cl)cccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000001753761 209338532 /nfs/dbraw/zinc/33/85/32/209338532.db2.gz SWXWFSOEDYUFKA-UHFFFAOYSA-N 0 0 391.258 4.435 40 0 in-vitro GIABRN O=C(Nc1cc(Cl)c(I)c(Cl)c1)C(F)(F)F ZINC000001725715 209337449 /nfs/dbraw/zinc/33/74/49/209337449.db2.gz FZJBUMCKTANPNR-UHFFFAOYSA-N 0 0 383.922 4.099 40 0 GIABRN Nc1nc(SCC(=O)c2ccc(F)cc2)sc1C(=O)c1ccc(F)cc1 ZINC000001732021 209336464 /nfs/dbraw/zinc/33/64/64/209336464.db2.gz CYVYIULGUBMJTE-UHFFFAOYSA-N 0 0 390.436 4.210 40 0 GIABRN COc1ccc(C(=O)[C@H](c2ccc(OC)cc2)[C@H]2c3ccccc3OC2=O)cc1 ZINC000001629281 209334040 /nfs/dbraw/zinc/33/40/40/209334040.db2.gz MZLRPXKKFRFKOM-FGZHOGPDSA-N 0 0 388.419 4.373 40 0 GIABRN COc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccccc2C)C3)cc1 ZINC000001370580 209323863 /nfs/dbraw/zinc/32/38/63/209323863.db2.gz ZKSIBSCGCGHHDP-SEJPIABJSA-N 0 0 378.516 4.319 40 0 GIABRN COc1ccc(-c2csc(N(C)C(=O)c3c(OC)cccc3OC)n2)cc1 ZINC000000932875 209278871 /nfs/dbraw/zinc/27/88/71/209278871.db2.gz JVZZSXOXACQLSD-UHFFFAOYSA-N 0 0 384.457 4.113 40 0 GIABRN CCc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N3CCCC[C@H]3C)n12 ZINC000000877138 209274917 /nfs/dbraw/zinc/27/49/17/209274917.db2.gz VAOPPVASNUJBGI-OAHLLOKOSA-N 0 0 382.533 4.246 40 0 GIABRN CCOC(=O)[C@H]1CC(=O)N(c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)C1 ZINC000045887125 209196543 /nfs/dbraw/zinc/19/65/43/209196543.db2.gz RRNDNCFIOBTKPT-ZDUSSCGKSA-N 0 0 384.819 4.064 40 0 GIABRN CCOC(=O)[C@@H]1CC(=O)N(c2cc(-c3nc4ccccc4s3)ccc2C)C1 ZINC000045886758 209195756 /nfs/dbraw/zinc/19/57/56/209195756.db2.gz XGIQLEUJSBBFOE-OAHLLOKOSA-N 0 0 380.469 4.188 40 0 GIABRN CCOC(=O)[C@@H]1CC(=O)N(c2cccc(-c3nc4cc(Cl)ccc4o3)c2C)C1 ZINC000045887254 209195064 /nfs/dbraw/zinc/19/50/64/209195064.db2.gz XPIAMCAKPFUBEF-CYBMUJFWSA-N 0 0 398.846 4.373 40 0 GIABRN COc1ccc(OC)c([C@@H](c2nnnn2C2CCCCC2)N2CCC(C)CC2)c1 ZINC000004847709 209189853 /nfs/dbraw/zinc/18/98/53/209189853.db2.gz BFKKHFBFDIEKIX-NRFANRHFSA-N 0 0 399.539 4.017 40 0 GIABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)n1cc(C(N)=O)c2ccccc21 ZINC000216908519 209183305 /nfs/dbraw/zinc/18/33/05/209183305.db2.gz CALWHAKAKOVWOS-JTQLQIEISA-N 0 0 377.227 4.155 40 0 GIABRN CC(C)c1ccccc1OCC(=O)Nc1ccc(I)cc1 ZINC000005414195 212066656 /nfs/dbraw/zinc/06/66/56/212066656.db2.gz NZMCZILJEJLWBW-UHFFFAOYSA-N 0 0 395.240 4.432 40 0 GIABRN O=C(OCc1ccccc1Cl)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 ZINC000100390309 212065822 /nfs/dbraw/zinc/06/58/22/212065822.db2.gz SVGOCQVBNGDLTR-ROUUACIJSA-N 0 0 397.858 4.377 40 0 GIABRN CCOC(=O)Cn1nc(-c2cccc(OC)c2)c(CC)c1-c1cccc(OC)c1 ZINC000002733535 212061997 /nfs/dbraw/zinc/06/19/97/212061997.db2.gz OLUQBGORLLASJL-UHFFFAOYSA-N 0 0 394.471 4.360 40 0 GIABRN Cc1nn(Cc2cccc(C(=O)N3CCC[C@@H](C)C3)c2)c(C)c1Br ZINC000002755688 212061734 /nfs/dbraw/zinc/06/17/34/212061734.db2.gz UBOFMOYMENYEGL-CYBMUJFWSA-N 0 0 390.325 4.183 40 0 GIABRN CC(C)Cn1cnc2c1C1(CCN(C(=O)N3CCCC3)CC1)Oc1ccccc1-2 ZINC000306128661 212047613 /nfs/dbraw/zinc/04/76/13/212047613.db2.gz HHSPPHPBFRXLEF-UHFFFAOYSA-N 0 0 394.519 4.105 40 0 GIABRN COc1ccc(Cc2nc(CC(=O)Nc3ccccc3F)cs2)cc1OC ZINC000028539775 209179485 /nfs/dbraw/zinc/17/94/85/209179485.db2.gz FMHYUPGGGRTLQH-UHFFFAOYSA-N 0 0 386.448 4.071 40 0 GIABRN CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)c2cnc3ccccc3c2)n1 ZINC000257329901 212025486 /nfs/dbraw/zinc/02/54/86/212025486.db2.gz XLYWVRHAKQGGHF-OAQYLSRUSA-N 0 0 388.515 4.323 40 0 GIABRN CNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)C(C)(C)C)CC1 ZINC000257320554 212024207 /nfs/dbraw/zinc/02/42/07/212024207.db2.gz VXINKHAAMNYOJG-UHFFFAOYSA-N 0 0 398.572 4.359 40 0 GIABRN Cc1cc(Nc2ccnc(C[C@H]3CCCN(C(=O)C4CCCCC4)CC3)n2)n[nH]1 ZINC000257324782 212026641 /nfs/dbraw/zinc/02/66/41/212026641.db2.gz WQDDXYXBXPXVOH-KRWDZBQOSA-N 0 0 396.539 4.003 40 0 GIABRN COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4ccccn4)C3)c2)cc1 ZINC000257329289 212026081 /nfs/dbraw/zinc/02/60/81/212026081.db2.gz XJEXXKQYYQGWBW-LJQANCHMSA-N 0 0 387.483 4.480 40 0 GIABRN O=C(c1ccnc(Cc2ccccc2)c1)N1CC[C@H](c2ncn3ccsc23)C1 ZINC000257334299 212025923 /nfs/dbraw/zinc/02/59/23/212025923.db2.gz YFHNBWPGNQZODN-SFHVURJKSA-N 0 0 388.496 4.011 40 0 GIABRN CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccccc1)CN(C(=O)Cc1ccccc1)CCO2 ZINC000257315861 212023815 /nfs/dbraw/zinc/02/38/15/212023815.db2.gz VDAOMFSDDMNICX-HVCNVCAESA-N 0 0 393.527 4.261 40 0 GIABRN CCC(=O)N1CCC(Cc2ccc(-c3cccc(C)c3)cc2)(C(=O)N(C)C)CC1 ZINC000257307432 212022381 /nfs/dbraw/zinc/02/23/81/212022381.db2.gz SYPMAVUPFZJBSI-UHFFFAOYSA-N 0 0 392.543 4.312 40 0 GIABRN Cc1cccnc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257310524 212021794 /nfs/dbraw/zinc/02/17/94/212021794.db2.gz UFKUFLUCNQXBQQ-LJQANCHMSA-N 0 0 379.435 4.475 40 0 GIABRN Cc1noc(C)c1-c1cncc([C@H]2CCCN2C(=O)CCc2ccccc2)n1 ZINC000257294958 212019499 /nfs/dbraw/zinc/01/94/99/212019499.db2.gz QWKLYVVUEGLFFA-HXUWFJFHSA-N 0 0 376.460 4.045 40 0 GIABRN Cn1ccnc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257288890 212018828 /nfs/dbraw/zinc/01/88/28/212018828.db2.gz PWCBBYSGJYOMAQ-KRWDZBQOSA-N 0 0 384.867 4.020 40 0 GIABRN O=C(c1ccccc1)N1CCO[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000257287082 212018388 /nfs/dbraw/zinc/01/83/88/212018388.db2.gz POLGRNQIZTUCSG-JOCHJYFZSA-N 0 0 376.431 4.025 40 0 GIABRN O=C([O-])C[N@H+](CCc1cccc(Cl)c1)C1CCN(c2cccc(F)c2)CC1 ZINC000257284484 212015728 /nfs/dbraw/zinc/01/57/28/212015728.db2.gz PCWKVAYWGYPBSM-UHFFFAOYSA-N 0 0 390.886 4.077 40 0 GIABRN COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cccc(C)n3)o2)c1 ZINC000257269061 212014967 /nfs/dbraw/zinc/01/49/67/212014967.db2.gz MOKHFIZKOPXDPP-OAQYLSRUSA-N 0 0 391.471 4.345 40 0 GIABRN Clc1ccccc1Cc1cccc([C@H]2CN(Cc3cccnc3)CCO2)n1 ZINC000257270298 212015023 /nfs/dbraw/zinc/01/50/23/212015023.db2.gz MTPRDSHEHFKGEG-JOCHJYFZSA-N 0 0 379.891 4.294 40 0 GIABRN CCOc1cc(CO)cc(I)c1OCc1ccc(C)cc1 ZINC000216826593 209176648 /nfs/dbraw/zinc/17/66/48/209176648.db2.gz QMDXRABENSRDHR-UHFFFAOYSA-N 0 0 398.240 4.070 40 0 GIABRN CCOC(=O)c1ccc(COc2ccc(C)cc2-n2nc3ccccc3n2)cc1 ZINC000024605437 209175932 /nfs/dbraw/zinc/17/59/32/209175932.db2.gz PPPBBVCABBIAIA-UHFFFAOYSA-N 0 0 387.439 4.485 40 0 GIABRN Nc1nnc(-c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)o1 ZINC000216816747 209175425 /nfs/dbraw/zinc/17/54/25/209175425.db2.gz DZOSLQXKKCWVDT-UHFFFAOYSA-N 0 0 380.629 4.314 40 0 GIABRN O=C(c1cccs1)N1CCO[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257274437 212014609 /nfs/dbraw/zinc/01/46/09/212014609.db2.gz NLBGITMHYQVATL-MRXNPFEDSA-N 0 0 388.876 4.194 40 0 GIABRN Fc1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)cc1F ZINC000329050749 209158986 /nfs/dbraw/zinc/15/89/86/209158986.db2.gz UUSAZHFCBWPZSU-UHFFFAOYSA-N 0 0 381.430 4.149 40 0 GIABRN CNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000329069707 209158938 /nfs/dbraw/zinc/15/89/38/209158938.db2.gz YZYYUQCKTYSCCK-UHFFFAOYSA-N 0 0 378.785 4.445 40 0 GIABRN CCc1cccc(C)c1Nc1cc(-c2ccncc2)nc(N[C@H](CO)C(C)C)n1 ZINC000329040780 209158364 /nfs/dbraw/zinc/15/83/64/209158364.db2.gz SFKXKJJGZGFLNC-HXUWFJFHSA-N 0 0 391.519 4.004 40 0 GIABRN Cc1ncsc1C(=O)N1CCC(c2cccc(-c3c(C)noc3C)n2)CC1 ZINC000257256404 212012851 /nfs/dbraw/zinc/01/28/51/212012851.db2.gz KLIWMBAAKGFUNO-UHFFFAOYSA-N 0 0 382.489 4.138 40 0 GIABRN CC(C)n1nccc1C(=O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257261830 212012703 /nfs/dbraw/zinc/01/27/03/212012703.db2.gz LIYJKHAMFZCNPI-KRWDZBQOSA-N 0 0 396.466 4.202 40 0 GIABRN O=C(c1ccc(=O)[nH]c1)N1CCCC[C@@H]1c1ccc(Cc2ccc(F)cc2)nc1 ZINC000257252079 212010981 /nfs/dbraw/zinc/01/09/81/212010981.db2.gz JTLHGSIJJAQOTQ-OAQYLSRUSA-N 0 0 391.446 4.280 40 0 GIABRN CC(C)c1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)[nH]n1 ZINC000257237706 212009600 /nfs/dbraw/zinc/00/96/00/212009600.db2.gz HHSNEFFSEHEERO-MRXNPFEDSA-N 0 0 396.466 4.271 40 0 GIABRN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257239479 212008789 /nfs/dbraw/zinc/00/87/89/212008789.db2.gz HPKXLSMUEVWOFW-RDPSFJRHSA-N 0 0 392.499 4.138 40 0 GIABRN CNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccc2)n1 ZINC000329063937 209159237 /nfs/dbraw/zinc/15/92/37/209159237.db2.gz XGOJUBQEGFSMFV-UHFFFAOYSA-N 0 0 378.785 4.445 40 0 GIABRN COc1ccccc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257235212 212008424 /nfs/dbraw/zinc/00/84/24/212008424.db2.gz GWWZCZQZHUIJAK-QGZVFWFLSA-N 0 0 394.446 4.433 40 0 GIABRN Cc1cccc(N2CCC([N@H+](CCc3ccc(Cl)cc3)CC(=O)[O-])CC2)c1 ZINC000257234448 212008308 /nfs/dbraw/zinc/00/83/08/212008308.db2.gz GTOJWTWCGXMNLH-UHFFFAOYSA-N 0 0 386.923 4.247 40 0 GIABRN O=C(c1cncs1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257226572 212006686 /nfs/dbraw/zinc/00/66/86/212006686.db2.gz FLFCROJBGYKTLY-CQSZACIVSA-N 0 0 387.892 4.395 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)s1 ZINC000257231900 212006694 /nfs/dbraw/zinc/00/66/94/212006694.db2.gz GIQMQJMVBUUFLS-INIZCTEOSA-N 0 0 399.491 4.498 40 0 GIABRN Cc1ncoc1C(=O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257233463 212006378 /nfs/dbraw/zinc/00/63/78/212006378.db2.gz GPJIXRJZPODPFP-HNNXBMFYSA-N 0 0 385.851 4.235 40 0 GIABRN Cc1cnn(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)c1 ZINC000257225121 212006388 /nfs/dbraw/zinc/00/63/88/212006388.db2.gz FEXUDFNCRXDTHS-LJQANCHMSA-N 0 0 398.894 4.178 40 0 GIABRN CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3ccc(C)cc3)CCO2)n1 ZINC000257221824 212006169 /nfs/dbraw/zinc/00/61/69/212006169.db2.gz DQRHSHPSGFGUTM-NRFANRHFSA-N 0 0 391.471 4.130 40 0 GIABRN CC(C)CC(=O)N[C@@H]1C[C@H](c2ccc(Cn3cccn3)cc2)O[C@@H]2CCCC[C@@H]12 ZINC000257217471 212005223 /nfs/dbraw/zinc/00/52/23/212005223.db2.gz CZCMFJNFDYEOBS-WBADGQHESA-N 0 0 395.547 4.483 40 0 GIABRN CN(C)C(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)C2CC2)CC1 ZINC000257223072 212004903 /nfs/dbraw/zinc/00/49/03/212004903.db2.gz DVUAVMHORARIEO-UHFFFAOYSA-N 0 0 396.556 4.065 40 0 GIABRN O=C(c1cnccn1)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257215884 212004601 /nfs/dbraw/zinc/00/46/01/212004601.db2.gz CSAZJCKYFKSIAC-SFHVURJKSA-N 0 0 382.851 4.076 40 0 GIABRN C[C@]12C[C@@H]3[NH2+][C@H]1CCC[C@H]2N(Cc1ccccc1C(=O)[O-])[C@H]3Cc1ccccc1 ZINC000257205756 212003649 /nfs/dbraw/zinc/00/36/49/212003649.db2.gz BALYYGSUJHGPRY-WHGMEAMLSA-N 0 0 390.527 4.101 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2ccc(C)cc2Br)cc(C2CC2)n1 ZINC000329032268 209157122 /nfs/dbraw/zinc/15/71/22/209157122.db2.gz QOGATJGPDJUXIK-GFCCVEGCSA-N 0 0 375.314 4.223 40 0 GIABRN CSc1cccc(Nc2cc(-c3ccncc3)nc(NC3CCCC3)n2)c1 ZINC000329027017 209157129 /nfs/dbraw/zinc/15/71/29/209157129.db2.gz PQEWWTBSWYHBDL-UHFFFAOYSA-N 0 0 377.517 4.202 40 0 GIABRN Fc1cc(F)cc(CNc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)c1 ZINC000329042559 209157198 /nfs/dbraw/zinc/15/71/98/209157198.db2.gz SNTHMEFTESWRCO-UHFFFAOYSA-N 0 0 395.457 4.017 40 0 GIABRN CCNc1nc(Nc2ccc(Br)c(C)c2)cc(-c2cccnc2)n1 ZINC000328997924 209155362 /nfs/dbraw/zinc/15/53/62/209155362.db2.gz JQJFUKFWIROWLS-UHFFFAOYSA-N 0 0 384.281 4.207 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2ccc3sc(C)nc3c2)cc(-c2ccncc2)n1 ZINC000328987631 209155260 /nfs/dbraw/zinc/15/52/60/209155260.db2.gz ICCYHHFFEFPIFE-CYBMUJFWSA-N 0 0 390.516 4.255 40 0 GIABRN CC(C)Oc1ccc(NC(=O)C2(C)COC(C)(C)OC2)cc1C(F)(F)F ZINC000225953622 211935792 /nfs/dbraw/zinc/93/57/92/211935792.db2.gz DIJJVOIWEQHHCS-UHFFFAOYSA-N 0 0 375.387 4.220 40 0 GIABRN CCOC(=O)C1(c2ccc(NC(=O)c3cc(-c4ccc(F)cc4)on3)cc2)CC1 ZINC000225900594 211934715 /nfs/dbraw/zinc/93/47/15/211934715.db2.gz DYHHOACPUNACBM-UHFFFAOYSA-N 0 0 394.402 4.328 40 0 GIABRN CCCO[C@]1(C(=O)Nc2cnc(OCCOCC)c(C)c2)CCC[C@H](C)C1 ZINC000225911738 211934230 /nfs/dbraw/zinc/93/42/30/211934230.db2.gz HGWRMTNBXIGUBQ-HRAATJIYSA-N 0 0 378.513 4.119 40 0 GIABRN CCCCOc1ccc(NC(=O)C2(OCC)CCCCC2)cc1C(=O)OC ZINC000225829639 211930496 /nfs/dbraw/zinc/93/04/96/211930496.db2.gz PKTFQUIZYNUFHD-UHFFFAOYSA-N 0 0 377.481 4.330 40 0 GIABRN COc1ccc([C@@H](C)NC(=O)CCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000225812158 211929506 /nfs/dbraw/zinc/92/95/06/211929506.db2.gz INJGUYXRWVBLHL-CYBMUJFWSA-N 0 0 385.851 4.209 40 0 GIABRN COc1cc(C)c(C(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1C(C)C ZINC000225666930 211914873 /nfs/dbraw/zinc/91/48/73/211914873.db2.gz LTEHZSRHVYEBEP-UHFFFAOYSA-N 0 0 394.515 4.179 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 ZINC000225667535 211914150 /nfs/dbraw/zinc/91/41/50/211914150.db2.gz CKFMKXKPHDUFPX-PGRDOPGGSA-N 0 0 398.522 4.399 40 0 GIABRN C[C@@H](NC(=O)Cn1ccc(=O)c2ccc(Cl)cc21)c1ccc(Cl)cc1 ZINC000225737312 211921654 /nfs/dbraw/zinc/92/16/54/211921654.db2.gz OOHSUXJNOWMGAA-GFCCVEGCSA-N 0 0 375.255 4.186 40 0 GIABRN O=C(Cn1ccc(=O)c2ccccc21)N(Cc1ccccc1)Cc1ccccc1 ZINC000225720020 211920167 /nfs/dbraw/zinc/92/01/67/211920167.db2.gz MQWHESJZZAKLSJ-UHFFFAOYSA-N 0 0 382.463 4.231 40 0 GIABRN CCc1ccc(NC(=S)N[C@H](CC)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000225723159 211919854 /nfs/dbraw/zinc/91/98/54/211919854.db2.gz JEUDGDDUPMQBDW-GOSISDBHSA-N 0 0 376.547 4.090 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 ZINC000225527684 211905762 /nfs/dbraw/zinc/90/57/62/211905762.db2.gz GNVUDGXEYLLUAH-DENIHFKCSA-N 0 0 380.532 4.260 40 0 GIABRN FC(F)(F)c1ccc(-c2nc(Cl)cc(NCCc3ccccn3)n2)cc1 ZINC000328980418 209154272 /nfs/dbraw/zinc/15/42/72/209154272.db2.gz GMUIHXTVNIRXMT-UHFFFAOYSA-N 0 0 378.785 4.287 40 0 GIABRN COc1ccc(NC(=S)NCCCSCc2ccccc2Cl)cn1 ZINC000225608409 211908787 /nfs/dbraw/zinc/90/87/87/211908787.db2.gz FJLUABKOYNDJMX-UHFFFAOYSA-N 0 0 381.954 4.354 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)c2ccc(OC)cc2)c1 ZINC000225464701 211899741 /nfs/dbraw/zinc/89/97/41/211899741.db2.gz VFGLCUDHYUEQKI-NSHDSACASA-N 0 0 378.881 4.183 40 0 GIABRN Cc1ccc(Nc2cc(C3CC3)nc(NC3CCCC3)n2)c(Br)c1 ZINC000328966922 209154194 /nfs/dbraw/zinc/15/41/94/209154194.db2.gz COTWDQRMLFNTBP-UHFFFAOYSA-N 0 0 387.325 4.367 40 0 GIABRN CCC1(CC)C[C@@H](NS(=O)(=O)Cc2ccc(F)cc2)c2ccccc2O1 ZINC000225497010 211901499 /nfs/dbraw/zinc/90/14/99/211901499.db2.gz HYZYJOFJEQECMG-GOSISDBHSA-N 0 0 377.481 4.328 40 0 GIABRN O=C(c1ccc(NC(=S)NCCSc2ccccc2)cc1)N1CCCCC1 ZINC000225285524 211890176 /nfs/dbraw/zinc/89/01/76/211890176.db2.gz LAINRAZUFJGFGF-UHFFFAOYSA-N 0 0 399.585 4.391 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000225261447 211889887 /nfs/dbraw/zinc/88/98/87/211889887.db2.gz LFZDTKKFRQESNK-NRFANRHFSA-N 0 0 380.488 4.063 40 0 GIABRN CCCc1ccc(OCCNS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 ZINC000225196530 211887731 /nfs/dbraw/zinc/88/77/31/211887731.db2.gz GNBQADYCAPYNHA-UHFFFAOYSA-N 0 0 399.512 4.158 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F ZINC000225163410 211886250 /nfs/dbraw/zinc/88/62/50/211886250.db2.gz QJBZWDMNTOBBMD-NRFANRHFSA-N 0 0 384.495 4.010 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1 ZINC000225161467 211885856 /nfs/dbraw/zinc/88/58/56/211885856.db2.gz LMMMNVRSPBMBPY-JOCHJYFZSA-N 0 0 396.531 4.016 40 0 GIABRN COc1ccc(Nc2cc(-c3ccccc3)nc(NC3CCCC3)n2)cc1F ZINC000328971216 209153746 /nfs/dbraw/zinc/15/37/46/209153746.db2.gz DODJMAKTXYNBAE-UHFFFAOYSA-N 0 0 378.451 4.233 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C ZINC000225132195 211884490 /nfs/dbraw/zinc/88/44/90/211884490.db2.gz CXENIQVTQUCCHO-WOJBJXKFSA-N 0 0 380.532 4.178 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 ZINC000225133687 211883839 /nfs/dbraw/zinc/88/38/39/211883839.db2.gz NNHPHPOAQHYVSR-OAQYLSRUSA-N 0 0 398.572 4.421 40 0 GIABRN C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc2c(c1)sc(=O)n2C ZINC000225048089 211881038 /nfs/dbraw/zinc/88/10/38/211881038.db2.gz HLYJTRDQNUHUJK-CYBMUJFWSA-N 0 0 378.453 4.159 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000224994467 211878334 /nfs/dbraw/zinc/87/83/34/211878334.db2.gz NBUYNQBYCQVAKI-IAGOWNOFSA-N 0 0 386.923 4.215 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2cc(Cl)ccc2Cl)cc1Cl ZINC000224957020 211876994 /nfs/dbraw/zinc/87/69/94/211876994.db2.gz XSWMIFZUGJAJIN-UHFFFAOYSA-N 0 0 380.680 4.481 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000225101745 211882082 /nfs/dbraw/zinc/88/20/82/211882082.db2.gz HXGSKKFMKMNLKM-HXUWFJFHSA-N 0 0 386.923 4.216 40 0 GIABRN CCOc1ccc(-c2noc(CN(C)C(=O)CCc3ccc(C)c(C)c3)n2)cc1 ZINC000224912351 211876379 /nfs/dbraw/zinc/87/63/79/211876379.db2.gz ZKBBNKOBISBMSB-UHFFFAOYSA-N 0 0 393.487 4.343 40 0 GIABRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)[nH]c1C ZINC000224556231 211865440 /nfs/dbraw/zinc/86/54/40/211865440.db2.gz HNGZBICSOCSYRY-UXHICEINSA-N 0 0 378.501 4.212 40 0 GIABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1cccc(OC)c1 ZINC000224460701 211864026 /nfs/dbraw/zinc/86/40/26/211864026.db2.gz SQFJAVAUXLPECO-QFIPXVFZSA-N 0 0 379.456 4.201 40 0 GIABRN CCOc1ccc(CCC(=O)NCCc2ccc(Cl)cc2)cc1OCC ZINC000224393473 211861399 /nfs/dbraw/zinc/86/13/99/211861399.db2.gz MJFNJVWZMFFNOP-UHFFFAOYSA-N 0 0 375.896 4.429 40 0 GIABRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C)c1C ZINC000224563188 211866092 /nfs/dbraw/zinc/86/60/92/211866092.db2.gz JRTNXSTVAQSRED-NHCUHLMSSA-N 0 0 392.528 4.223 40 0 GIABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCC ZINC000224153399 211855718 /nfs/dbraw/zinc/85/57/18/211855718.db2.gz ZVLLIJNTZVMXSX-QFIPXVFZSA-N 0 0 380.532 4.261 40 0 GIABRN COc1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)c(C)c1C ZINC000224329239 211858873 /nfs/dbraw/zinc/85/88/73/211858873.db2.gz ZNJUCQGRUHJNPE-UHFFFAOYSA-N 0 0 385.938 4.036 40 0 GIABRN COc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1Cl ZINC000224329664 211858934 /nfs/dbraw/zinc/85/89/34/211858934.db2.gz NQRLEHXAYFQDPQ-UHFFFAOYSA-N 0 0 392.242 4.324 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224207083 211858233 /nfs/dbraw/zinc/85/82/33/211858233.db2.gz DRRJETFVQWFPPI-HXUWFJFHSA-N 0 0 380.532 4.035 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000224251967 211857732 /nfs/dbraw/zinc/85/77/32/211857732.db2.gz DYRSUTSCNJGSTG-HXUWFJFHSA-N 0 0 386.923 4.134 40 0 GIABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000224121274 211854447 /nfs/dbraw/zinc/85/44/47/211854447.db2.gz SDJIUQAAMRARBQ-QGZVFWFLSA-N 0 0 392.499 4.207 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(C)c1 ZINC000223635061 211838727 /nfs/dbraw/zinc/83/87/27/211838727.db2.gz PTPYLMHPBIWEBT-IBGZPJMESA-N 0 0 398.572 4.090 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1C ZINC000223549357 211837195 /nfs/dbraw/zinc/83/71/95/211837195.db2.gz AOMTZPSJBQHYBL-IBGZPJMESA-N 0 0 398.572 4.090 40 0 GIABRN CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 ZINC000223340127 211828273 /nfs/dbraw/zinc/82/82/73/211828273.db2.gz KQTAYDFZWDVVRD-RBUKOAKNSA-N 0 0 380.517 4.404 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1C ZINC000223351456 211831061 /nfs/dbraw/zinc/83/10/61/211831061.db2.gz PWOCOWUEPSYUBC-UHFFFAOYSA-N 0 0 381.497 4.380 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000223193117 211824447 /nfs/dbraw/zinc/82/44/47/211824447.db2.gz YYQZGNVOCZTRBC-QGZVFWFLSA-N 0 0 386.923 4.216 40 0 GIABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 ZINC000222958509 211817083 /nfs/dbraw/zinc/81/70/83/211817083.db2.gz BIJZHWKTKRFMJG-VQTJNVASSA-N 0 0 380.517 4.297 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C ZINC000223092724 211821016 /nfs/dbraw/zinc/82/10/16/211821016.db2.gz WQGRQJMSNIMPCJ-HXUWFJFHSA-N 0 0 380.532 4.180 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSc1ccccc1 ZINC000222996419 211818692 /nfs/dbraw/zinc/81/86/92/211818692.db2.gz HKBHAKSRBZQDJP-LJQANCHMSA-N 0 0 398.572 4.421 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000222962040 211818082 /nfs/dbraw/zinc/81/80/82/211818082.db2.gz RMDFROVERXXEPI-QHCPKHFHSA-N 0 0 388.511 4.326 40 0 GIABRN Cc1ccc(OCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c(C)c1 ZINC000222830932 211812045 /nfs/dbraw/zinc/81/20/45/211812045.db2.gz VRCKXQOTTYCYKA-UHFFFAOYSA-N 0 0 385.851 4.044 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222747780 211810527 /nfs/dbraw/zinc/81/05/27/211810527.db2.gz LUJALPHKDXEDEC-IBGZPJMESA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1nnc(SCC(C)C)s1 ZINC000222908762 211815860 /nfs/dbraw/zinc/81/58/60/211815860.db2.gz UHWYJZDROMCLPO-CQSZACIVSA-N 0 0 381.523 4.091 40 0 GIABRN CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 ZINC000222881552 211813783 /nfs/dbraw/zinc/81/37/83/211813783.db2.gz FWFQRPVYACVYKT-OAQYLSRUSA-N 0 0 382.504 4.431 40 0 GIABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000222867012 211813065 /nfs/dbraw/zinc/81/30/65/211813065.db2.gz ZMVWBNORZDWISJ-KRWDZBQOSA-N 0 0 384.495 4.090 40 0 GIABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2nccs2)c1C ZINC000222862856 211813122 /nfs/dbraw/zinc/81/31/22/211813122.db2.gz HYIUVRCFBVZZOZ-MSOLQXFVSA-N 0 0 397.573 4.328 40 0 GIABRN CC[C@@H](NC(=O)CSCc1ccccc1F)c1ccc(OC)c(OC)c1 ZINC000222712421 211808430 /nfs/dbraw/zinc/80/84/30/211808430.db2.gz HNEGQMSEOCVBIY-QGZVFWFLSA-N 0 0 377.481 4.344 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3c(C)c(C)n(CCOC)c3C)N21 ZINC000222719519 211808002 /nfs/dbraw/zinc/80/80/02/211808002.db2.gz KGEJMYFIXYTJBE-DUXKGJEZSA-N 0 0 398.576 4.434 40 0 GIABRN COC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)cc2F)c1C ZINC000222699294 211808071 /nfs/dbraw/zinc/80/80/71/211808071.db2.gz ZJAIIRUPJDGAHD-UHFFFAOYSA-N 0 0 381.856 4.446 40 0 GIABRN C[C@@H](NC(=O)CSCc1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC000222655990 211807377 /nfs/dbraw/zinc/80/73/77/211807377.db2.gz AJNBXZGKQLXPTB-CYBMUJFWSA-N 0 0 377.893 4.222 40 0 GIABRN CCc1ccc(N(CCCC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000222638957 211806899 /nfs/dbraw/zinc/80/68/99/211806899.db2.gz JPTPYXCQINXXPZ-UHFFFAOYSA-N 0 0 394.924 4.087 40 0 GIABRN COCCCNC(=O)c1ccccc1NC(=O)CCc1cccc2ccccc21 ZINC000222669374 211807036 /nfs/dbraw/zinc/80/70/36/211807036.db2.gz JDJDTAOWFLWSIC-UHFFFAOYSA-N 0 0 390.483 4.177 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 ZINC000222637899 211806209 /nfs/dbraw/zinc/80/62/09/211806209.db2.gz SYWBXZBRLSKRSU-AWEZNQCLSA-N 0 0 393.314 4.089 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000222625799 211805951 /nfs/dbraw/zinc/80/59/51/211805951.db2.gz HOQBTAMKWICMRG-OFNKIYASSA-N 0 0 394.559 4.302 40 0 GIABRN CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(Cl)cc1O ZINC000222590361 211805126 /nfs/dbraw/zinc/80/51/26/211805126.db2.gz POXDYZYAWZCDCW-UZCIPKQKSA-N 0 0 389.908 4.429 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000222610754 211804954 /nfs/dbraw/zinc/80/49/54/211804954.db2.gz JCIDOOAQQSHHTO-NZQKXSOJSA-N 0 0 394.559 4.302 40 0 GIABRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)Cc1cccc(Cl)c1 ZINC000222742803 211810030 /nfs/dbraw/zinc/81/00/30/211810030.db2.gz FRTGUYQNFRGENI-UHFFFAOYSA-N 0 0 376.243 4.245 40 0 GIABRN CC[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(OC)c(C)c1 ZINC000222718690 211808663 /nfs/dbraw/zinc/80/86/63/211808663.db2.gz NNPAKBBWRFPFGN-INIZCTEOSA-N 0 0 398.322 4.196 40 0 GIABRN CCc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1 ZINC000222529005 211803836 /nfs/dbraw/zinc/80/38/36/211803836.db2.gz ZMXKTNZEZKRLNA-UHFFFAOYSA-N 0 0 394.496 4.326 40 0 GIABRN Cc1ccccc1N(CCCC(=O)Nc1cccc(Cl)c1C)S(C)(=O)=O ZINC000222552726 211803841 /nfs/dbraw/zinc/80/38/41/211803841.db2.gz DKEHYWGRXORXCQ-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN CCn1c(Cl)nc2cc(C(=O)NCc3cccn3-c3ccccc3)ccc21 ZINC000222558931 211803628 /nfs/dbraw/zinc/80/36/28/211803628.db2.gz GRPKJXNMDDLDRV-UHFFFAOYSA-N 0 0 378.863 4.430 40 0 GIABRN CC[C@@H](C(=O)NC1CCCCCCC1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220573423 211786988 /nfs/dbraw/zinc/78/69/88/211786988.db2.gz CMUQLSXZVIYWQF-FQEVSTJZSA-N 0 0 394.581 4.077 40 0 GIABRN CC[C@@H](C(=O)Nc1cccc(C)c1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220562317 211786431 /nfs/dbraw/zinc/78/64/31/211786431.db2.gz YZWXHAFEVAZTCL-FQEVSTJZSA-N 0 0 388.533 4.104 40 0 GIABRN CCc1ccc(N([C@@H](C)C(=O)Nc2cccc3ccccc32)S(C)(=O)=O)cc1 ZINC000220262847 211783792 /nfs/dbraw/zinc/78/37/92/211783792.db2.gz ASNIANUBHAQIIG-INIZCTEOSA-N 0 0 396.512 4.195 40 0 GIABRN CC[C@@H](Oc1ccccc1OC)C(=O)NCCCc1ccc(OC(C)C)cc1 ZINC000219561129 211773941 /nfs/dbraw/zinc/77/39/41/211773941.db2.gz YJQMNOANSYFJRQ-HXUWFJFHSA-N 0 0 385.504 4.389 40 0 GIABRN Cc1ccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1C ZINC000219523117 211772958 /nfs/dbraw/zinc/77/29/58/211772958.db2.gz SXNGCYXVTQZPCI-HNNXBMFYSA-N 0 0 399.878 4.433 40 0 GIABRN CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000219366993 211770780 /nfs/dbraw/zinc/77/07/80/211770780.db2.gz RPRYPOCPTWNZOM-IBGZPJMESA-N 0 0 385.504 4.227 40 0 GIABRN O=C(CCCN1c2cccc3cccc(c23)C1=O)NCCSc1ccccc1 ZINC000219454936 211770194 /nfs/dbraw/zinc/77/01/94/211770194.db2.gz URLNQRVVONNRDS-UHFFFAOYSA-N 0 0 390.508 4.489 40 0 GIABRN Cc1cccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1C ZINC000219312001 211768054 /nfs/dbraw/zinc/76/80/54/211768054.db2.gz AVXWPZCERSCCQQ-HNNXBMFYSA-N 0 0 399.878 4.433 40 0 GIABRN CC(=O)O[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118926623 211721513 /nfs/dbraw/zinc/72/15/13/211721513.db2.gz FXIBWMJBQIDNKR-KJFOBWACSA-N 0 0 390.520 4.072 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1Br ZINC000010684136 211671587 /nfs/dbraw/zinc/67/15/87/211671587.db2.gz PNVKYJTUQLUGFI-GFCCVEGCSA-N 0 0 375.266 4.230 40 0 GIABRN CCOc1cc(C=O)ccc1OCCCSc1nnc(C(C)C)n1CC ZINC000008731771 211631252 /nfs/dbraw/zinc/63/12/52/211631252.db2.gz PPVJZUFGUUEZES-UHFFFAOYSA-N 0 0 377.510 4.194 40 0 GIABRN Cc1[nH]nc2c1[C@H](c1ccc(OCc3ccccc3)cc1)S[C@H](C)C(=O)N2 ZINC000006678676 211578798 /nfs/dbraw/zinc/57/87/98/211578798.db2.gz KPGHTTADVZYSAZ-KUHUBIRLSA-N 0 0 379.485 4.460 40 0 GIABRN O=C(CCCNC(=O)C(c1ccccc1)c1ccccc1)OCc1ccccc1 ZINC000003058799 211518161 /nfs/dbraw/zinc/51/81/61/211518161.db2.gz YXINAOOYGAJLNW-UHFFFAOYSA-N 0 0 387.479 4.458 40 0 GIABRN CC(C)[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1cccs1 ZINC000001381305 211509552 /nfs/dbraw/zinc/50/95/52/211509552.db2.gz GQKVVHOGDUZLQB-LLVKDONJSA-N 0 0 393.317 4.009 40 0 GIABRN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2 ZINC000001368683 211507631 /nfs/dbraw/zinc/50/76/31/211507631.db2.gz JRIYQJPKMFZPAG-HUUCEWRRSA-N 0 0 384.549 4.118 40 0 GIABRN COc1ccc(-c2noc([C@H]3CCCN(C(=O)Nc4ccccc4F)C3)n2)cc1 ZINC000001362878 211507177 /nfs/dbraw/zinc/50/71/77/211507177.db2.gz MHQHDKCLANAEDX-HNNXBMFYSA-N 0 0 396.422 4.296 40 0 GIABRN Cc1ccc2cc(CN(CCc3ccccc3)C(=O)c3ccncc3)c(=O)[nH]c2c1 ZINC000001359115 211506148 /nfs/dbraw/zinc/50/61/48/211506148.db2.gz SAMMNINQWZSIHR-UHFFFAOYSA-N 0 0 397.478 4.117 40 0 GIABRN O=C(CSc1nnc(-c2cccc(O)c2)o1)Nc1cccc(Cl)c1Cl ZINC000001224343 211504215 /nfs/dbraw/zinc/50/42/15/211504215.db2.gz PNYOPVHUVXJLJV-UHFFFAOYSA-N 0 0 396.255 4.480 40 0 GIABRN Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1CCc1ccccc1 ZINC000000923684 211497288 /nfs/dbraw/zinc/49/72/88/211497288.db2.gz WCOODDVFMLCDJL-UHFFFAOYSA-N 0 0 386.908 4.213 40 0 GIABRN Fc1ccc(-c2nc3ccc(Br)cn3c2NC[C@H]2CCCO2)cc1 ZINC000000904212 211495920 /nfs/dbraw/zinc/49/59/20/211495920.db2.gz WSCXWBLZDGCYKX-OAHLLOKOSA-N 0 0 390.256 4.494 40 0 GIABRN Cc1cc(C)c(NC(=O)CSc2nnc3c4ccccc4[nH]c3n2)c(C)c1 ZINC000000891407 211494943 /nfs/dbraw/zinc/49/49/43/211494943.db2.gz CTBPJVHTQMNKLU-UHFFFAOYSA-N 0 0 377.473 4.162 40 0 GIABRN Cc1cccc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c1C ZINC000113961140 211469781 /nfs/dbraw/zinc/46/97/81/211469781.db2.gz YEGFOEFPXRSINF-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN O=C(CCc1nc(-c2cccnc2)no1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000106036219 211439308 /nfs/dbraw/zinc/43/93/08/211439308.db2.gz ZWIMIEONPRVDHO-UHFFFAOYSA-N 0 0 396.756 4.375 40 0 GIABRN COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c2cccnc12 ZINC000110245709 211451691 /nfs/dbraw/zinc/45/16/91/211451691.db2.gz HNGLZCQUVJCHRV-UHFFFAOYSA-N 0 0 376.456 4.239 40 0 GIABRN CCOc1ccc(N2C(=O)C[C@@H](Nc3cccc(Cl)c3Cl)C2=O)cc1 ZINC000101276317 211397033 /nfs/dbraw/zinc/39/70/33/211397033.db2.gz DVCRRTXDLUMCME-OAHLLOKOSA-N 0 0 379.243 4.136 40 0 GIABRN Cc1cccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccccc3C)C2=O)c1 ZINC000101168515 211396801 /nfs/dbraw/zinc/39/68/01/211396801.db2.gz ZBLYLOUOOPRVGQ-ZLNRFVROSA-N 0 0 398.462 4.355 40 0 GIABRN CCOc1ccccc1N[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000101277064 211396904 /nfs/dbraw/zinc/39/69/04/211396904.db2.gz SKLXDDBJKDNLIT-CYBMUJFWSA-N 0 0 379.243 4.136 40 0 GIABRN Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)C3CC3)CC2)on1 ZINC000100743786 211390054 /nfs/dbraw/zinc/39/00/54/211390054.db2.gz YKLZTOKVBNWZGE-IYBDPMFKSA-N 0 0 382.508 4.363 40 0 GIABRN Cc1noc(C)c1CCc1cc(=O)n2nc(-c3cccc(Cl)c3)c(C)c2[nH]1 ZINC000100776241 211390193 /nfs/dbraw/zinc/39/01/93/211390193.db2.gz QYBUZBIACIAJBX-UHFFFAOYSA-N 0 0 382.851 4.454 40 0 GIABRN Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)CCc4ccccc4)CC3)n2n1 ZINC000100159282 211384824 /nfs/dbraw/zinc/38/48/24/211384824.db2.gz VVGVIQLDMJLSLU-BGYRXZFFSA-N 0 0 376.504 4.061 40 0 GIABRN CC(C)CC(=O)N[C@@H](c1nccs1)[C@H]1CC[C@H](CNC(=O)C(C)(C)C)CC1 ZINC000100223405 211383401 /nfs/dbraw/zinc/38/34/01/211383401.db2.gz CCAMIKQEOJMPQN-SOLBZPMBSA-N 0 0 393.597 4.315 40 0 GIABRN Cc1cccc(NC(=O)N2CCO[C@@H](c3ncn4c3cccc4C3CC3)C2)c1 ZINC000096267331 211328189 /nfs/dbraw/zinc/32/81/89/211328189.db2.gz WGOXDFIDCFPTHP-HXUWFJFHSA-N 0 0 376.460 4.126 40 0 GIABRN O=C(Cn1ccc(=O)c2cc(Br)ccc21)Nc1ccc(Cl)cc1 ZINC000096191280 211318341 /nfs/dbraw/zinc/31/83/41/211318341.db2.gz ZMJQKDSPRRZLJD-UHFFFAOYSA-N 0 0 391.652 4.056 40 0 GIABRN CC(C)[C@@H](C)NC(=O)c1cnc(-c2noc3cc(N4CCCC4)ccc32)s1 ZINC000096154556 211312419 /nfs/dbraw/zinc/31/24/19/211312419.db2.gz SXHYYOOHPBADPJ-CYBMUJFWSA-N 0 0 384.505 4.326 40 0 GIABRN COc1ccc(-c2nc(-c3noc4ccc(C(=O)N5CCCC5)cc43)co2)cc1 ZINC000096154281 211311434 /nfs/dbraw/zinc/31/14/34/211311434.db2.gz WKWCHAMEWSFMPV-UHFFFAOYSA-N 0 0 389.411 4.394 40 0 GIABRN COc1ccc(N(C)c2ccc3ccc(C(=O)NCc4cccnc4)cn32)cc1 ZINC000096146212 211310138 /nfs/dbraw/zinc/31/01/38/211310138.db2.gz LTHVEJZBJUEBLW-UHFFFAOYSA-N 0 0 386.455 4.041 40 0 GIABRN CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)C3CCCC3)CC2)c2ccccc21 ZINC000096242365 211322474 /nfs/dbraw/zinc/32/24/74/211322474.db2.gz CNWWUSXILFPXJY-HXUWFJFHSA-N 0 0 396.575 4.483 40 0 GIABRN C[C@@H]1CN(C(=O)c2ccc3ccc(N(C)c4ccc(F)cc4)n3c2)C[C@@H](C)O1 ZINC000096091369 211300369 /nfs/dbraw/zinc/30/03/69/211300369.db2.gz QNURYWLWSHZCQU-HZPDHXFCSA-N 0 0 381.451 4.096 40 0 GIABRN Cc1ccc(C(=O)N2CCC3(C[C@@H](CC(=O)NC(C)C)c4ccccc43)CC2)o1 ZINC000096052648 211296935 /nfs/dbraw/zinc/29/69/35/211296935.db2.gz PIXBJCRDOMXCIT-GOSISDBHSA-N 0 0 394.515 4.164 40 0 GIABRN Cc1cccc(NC(=O)c2ccn(-c3ccc4ccc(-c5cnn(C)c5)cn43)n2)c1 ZINC000096038103 211296589 /nfs/dbraw/zinc/29/65/89/211296589.db2.gz VMRGPOPSHBMMQJ-UHFFFAOYSA-N 0 0 396.454 4.086 40 0 GIABRN O=C(c1ccoc1)N1CCC(c2nc3ccc(Nc4ccccc4)cn3n2)CC1 ZINC000096038325 211296490 /nfs/dbraw/zinc/29/64/90/211296490.db2.gz RVHOPARRNVSKEV-UHFFFAOYSA-N 0 0 387.443 4.086 40 0 GIABRN CCN(c1cccc(C)c1)S(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000072414376 211116724 /nfs/dbraw/zinc/11/67/24/211116724.db2.gz BSEMVYPZEHORHN-UHFFFAOYSA-N 0 0 398.322 4.290 40 0 GIABRN Cc1cc(C)nc(N2CC[C@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)n1 ZINC000072371397 211103395 /nfs/dbraw/zinc/10/33/95/211103395.db2.gz UCZLEBQJYHDJEZ-INIZCTEOSA-N 0 0 397.910 4.085 40 0 GIABRN Cc1nc(C(=O)N2CCC(c3nc(C)cc(Oc4ccccc4C)n3)CC2)co1 ZINC000072363275 211102979 /nfs/dbraw/zinc/10/29/79/211102979.db2.gz PJNWAJAHAXZIQW-UHFFFAOYSA-N 0 0 392.459 4.202 40 0 GIABRN Cc1cc(N2CC[C@@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)nc(C)n1 ZINC000072371420 211101853 /nfs/dbraw/zinc/10/18/53/211101853.db2.gz ASBDJXMAEADYAY-MRXNPFEDSA-N 0 0 397.910 4.085 40 0 GIABRN COc1cccc(C(=O)N2CCC[C@@H]2c2ccnc3cc(C(C)(C)C)nn32)c1 ZINC000072391717 211110947 /nfs/dbraw/zinc/11/09/47/211110947.db2.gz KLZPCICREPDDOC-QGZVFWFLSA-N 0 0 378.476 4.013 40 0 GIABRN C[C@@H](Cn1cnc2ccccc21)C(=O)N1CCC[C@@H](COc2ccccc2F)C1 ZINC000072390423 211108055 /nfs/dbraw/zinc/10/80/55/211108055.db2.gz HFOBRZXSJFVXOR-ZWKOTPCHSA-N 0 0 395.478 4.129 40 0 GIABRN Cc1cc(Oc2ccccc2F)nc([C@H]2CCCCN2C(=O)C2CCOCC2)n1 ZINC000072384278 211107265 /nfs/dbraw/zinc/10/72/65/211107265.db2.gz VDDLEPJLWCRVDE-GOSISDBHSA-N 0 0 399.466 4.197 40 0 GIABRN C[C@H](Cn1cnc2ccccc21)C(=O)N1CCC[C@H](COc2ccccc2F)C1 ZINC000072390422 211107424 /nfs/dbraw/zinc/10/74/24/211107424.db2.gz HFOBRZXSJFVXOR-MSOLQXFVSA-N 0 0 395.478 4.129 40 0 GIABRN Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCCN2C(=O)c2ccccc2)n1 ZINC000072376793 211105723 /nfs/dbraw/zinc/10/57/23/211105723.db2.gz ISFRIDHNLUPMFF-LJQANCHMSA-N 0 0 376.435 4.232 40 0 GIABRN CCc1nnc([N-]c2cncc([C@H]3CCC[N@@H+]3Cc3ccccc3C)n2)s1 ZINC000072376314 211105514 /nfs/dbraw/zinc/10/55/14/211105514.db2.gz RLBUNCWIIFUAMG-QGZVFWFLSA-N 0 0 380.521 4.280 40 0 GIABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCCN2C(=O)c2cccnc2)n1 ZINC000072376950 211105331 /nfs/dbraw/zinc/10/53/31/211105331.db2.gz MOOSTBIJYVUBHL-SFHVURJKSA-N 0 0 393.878 4.142 40 0 GIABRN Nc1ncc(-c2ccccc2)c([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000072377038 211104596 /nfs/dbraw/zinc/10/45/96/211104596.db2.gz BFWKNWOWBBKAKJ-HXUWFJFHSA-N 0 0 390.462 4.161 40 0 GIABRN O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2ccnc(Nc3ccccn3)n2)C1 ZINC000072377537 211104410 /nfs/dbraw/zinc/10/44/10/211104410.db2.gz OWDQZUMVEYWJDN-INIZCTEOSA-N 0 0 393.878 4.288 40 0 GIABRN Cc1cccc(-c2cccc([C@@H]3CCCN(CC(=O)Nc4nccs4)C3)n2)c1 ZINC000072348877 211095657 /nfs/dbraw/zinc/09/56/57/211095657.db2.gz VSKWASINCUEUDL-GOSISDBHSA-N 0 0 392.528 4.332 40 0 GIABRN CCCC(=O)N1CCC(Cc2ccccc2-c2ccccc2)(C(=O)NC)CC1 ZINC000072345092 211095031 /nfs/dbraw/zinc/09/50/31/211095031.db2.gz IOAFZTJYRATNMY-UHFFFAOYSA-N 0 0 378.516 4.051 40 0 GIABRN O=C(Cc1ccncc1)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 ZINC000072359588 211101315 /nfs/dbraw/zinc/10/13/15/211101315.db2.gz RWCNWMLVLBKAJE-UHFFFAOYSA-N 0 0 392.890 4.141 40 0 GIABRN Cc1cnc(Nc2cc([C@H]3CCCN3C(=O)N3CCCCC3)nc(C)n2)s1 ZINC000072359925 211100714 /nfs/dbraw/zinc/10/07/14/211100714.db2.gz JPRCHROPESPJTD-MRXNPFEDSA-N 0 0 386.525 4.036 40 0 GIABRN O=C(Cc1cccnc1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359578 211100252 /nfs/dbraw/zinc/10/02/52/211100252.db2.gz SPSUCFQTJZBTSN-GOSISDBHSA-N 0 0 392.890 4.141 40 0 GIABRN CC(=O)NCc1cnc([C@@H]2CCCN2Cc2ccc(F)cc2)cc1C(F)(F)F ZINC000072355977 211099190 /nfs/dbraw/zinc/09/91/90/211099190.db2.gz PBCYRVRCGIXVQB-IBGZPJMESA-N 0 0 395.400 4.213 40 0 GIABRN O=C(CN1CCC[C@@H]1c1cccc(Cc2ccccc2)n1)NC1CCCCC1 ZINC000072357692 211099253 /nfs/dbraw/zinc/09/92/53/211099253.db2.gz MBHVNFKSCKRBST-HSZRJFAPSA-N 0 0 377.532 4.258 40 0 GIABRN O=C(c1cccnc1)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358708 211099280 /nfs/dbraw/zinc/09/92/80/211099280.db2.gz JQPCWTLDYAWQAW-KRWDZBQOSA-N 0 0 378.863 4.212 40 0 GIABRN COc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1 ZINC000072358483 211099050 /nfs/dbraw/zinc/09/90/50/211099050.db2.gz VPEHHHBALWYCHS-GOSISDBHSA-N 0 0 391.446 4.311 40 0 GIABRN Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)c4cnn(C)c4)C3)c2)c1 ZINC000072354154 211098098 /nfs/dbraw/zinc/09/80/98/211098098.db2.gz DCXNUZNRYDYKCL-OAQYLSRUSA-N 0 0 388.515 4.043 40 0 GIABRN Cc1cccc(Cc2cccc([C@H]3CCCN(C(=O)Cc4ccncc4)C3)n2)c1 ZINC000072349440 211097712 /nfs/dbraw/zinc/09/77/12/211097712.db2.gz GCNUIGFNYJJTJU-QFIPXVFZSA-N 0 0 385.511 4.325 40 0 GIABRN O=C(c1cc[nH]n1)N1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072349817 211097717 /nfs/dbraw/zinc/09/77/17/211097717.db2.gz RKOYMCDJUBOCOX-INIZCTEOSA-N 0 0 380.879 4.069 40 0 GIABRN Cc1nc(C(=O)N2CCC[C@@H](c3cccc(Cc4ccccc4F)n3)C2)co1 ZINC000072350460 211097446 /nfs/dbraw/zinc/09/74/46/211097446.db2.gz CGYUFVDLOKMVDN-QGZVFWFLSA-N 0 0 379.435 4.128 40 0 GIABRN O=C(CN1CCC[C@H]1c1ccc(Nc2ccccn2)cn1)Nc1ccc(F)cc1 ZINC000072353004 211096827 /nfs/dbraw/zinc/09/68/27/211096827.db2.gz YVKHUDVAVOFRPR-FQEVSTJZSA-N 0 0 391.450 4.135 40 0 GIABRN O=C(COc1ccccc1)N1CCC[C@@H](c2ccc(Nc3ccccn3)cn2)C1 ZINC000072353291 211096876 /nfs/dbraw/zinc/09/68/76/211096876.db2.gz ZQYOSMPQGBQWDU-GOSISDBHSA-N 0 0 388.471 4.005 40 0 GIABRN COc1ccc(Cc2cccc(C3CCN(C(=O)c4ccncc4)CC3)n2)cc1 ZINC000072349170 211096614 /nfs/dbraw/zinc/09/66/14/211096614.db2.gz MLGLCWNBQWGSLZ-UHFFFAOYSA-N 0 0 387.483 4.096 40 0 GIABRN Cc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)Cc4ccncc4)C3)n2)c1 ZINC000072349439 211096375 /nfs/dbraw/zinc/09/63/75/211096375.db2.gz GCNUIGFNYJJTJU-JOCHJYFZSA-N 0 0 385.511 4.325 40 0 GIABRN Cc1ccccc1Cc1cccc(C2CCN(C(=O)Cc3cccnc3)CC2)n1 ZINC000072349392 211096313 /nfs/dbraw/zinc/09/63/13/211096313.db2.gz JFGCAYBKDYXEEF-UHFFFAOYSA-N 0 0 385.511 4.325 40 0 GIABRN Nc1cc(Cl)c(NC(=O)COc2ccc(Br)cc2)cc1Cl ZINC000072229513 211083340 /nfs/dbraw/zinc/08/33/40/211083340.db2.gz IIRPBTMZJUFLMS-UHFFFAOYSA-N 0 0 390.064 4.356 40 0 GIABRN CN(c1ccccc1C(=O)Nc1ccc2c(c1)oc1ccccc12)S(C)(=O)=O ZINC000072008860 211068599 /nfs/dbraw/zinc/06/85/99/211068599.db2.gz MJTYCFXVWDECFK-UHFFFAOYSA-N 0 0 394.452 4.234 40 0 GIABRN C[C@@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000069428564 211039167 /nfs/dbraw/zinc/03/91/67/211039167.db2.gz QSKUAOSFGQJFBT-CYBMUJFWSA-N 0 0 377.893 4.471 40 0 GIABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2nc(-c3cccs3)no2)c1 ZINC000065778923 211000062 /nfs/dbraw/zinc/00/00/62/211000062.db2.gz WXXXAFFFBWXJOD-AWEZNQCLSA-N 0 0 385.489 4.314 40 0 GIABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(-n2ccnc2C)cc1 ZINC000044849454 210813695 /nfs/dbraw/zinc/81/36/95/210813695.db2.gz YFWNDZBHFIXJOD-QFIPXVFZSA-N 0 0 377.488 4.271 40 0 GIABRN COc1ccccc1NC(=O)N1CCC(C(=O)Nc2ccc(C)cc2C)CC1 ZINC000035311691 210679709 /nfs/dbraw/zinc/67/97/09/210679709.db2.gz MMUAIMPNDMBNSY-UHFFFAOYSA-N 0 0 381.476 4.195 40 0 GIABRN Cc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000032101085 210572080 /nfs/dbraw/zinc/57/20/80/210572080.db2.gz XQVLKTZTYZUREY-QGZVFWFLSA-N 0 0 382.769 4.150 40 0 GIABRN O=C(NC(=S)Nc1nc2c(ccc(Cl)c2Cl)s1)c1cccs1 ZINC000032126732 210575075 /nfs/dbraw/zinc/57/50/75/210575075.db2.gz KXFAMHOGSQPRPZ-UHFFFAOYSA-N 0 0 388.326 4.213 40 0 GIABRN COc1ccc(-c2noc(CCC(=O)Nc3ccccc3SC)n2)cc1OC ZINC000029472652 210547815 /nfs/dbraw/zinc/54/78/15/210547815.db2.gz KUQHFGKNGCDDDU-UHFFFAOYSA-N 0 0 399.472 4.047 40 0 GIABRN CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)CC)cc1OCC ZINC000027384004 210514547 /nfs/dbraw/zinc/51/45/47/210514547.db2.gz AUPMDEHZRVSKJC-HNNXBMFYSA-N 0 0 384.476 4.265 40 0 GIABRN O=C(COc1ccc(Cl)cc1)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000026124013 210492523 /nfs/dbraw/zinc/49/25/23/210492523.db2.gz MMFCZHDYGHEGKQ-UHFFFAOYSA-N 0 0 378.819 4.091 40 0 GIABRN Cc1cc(C)c([C@@H](C)NC(=O)c2cnc3sc4c(n3c2=O)CCCC4)cc1C ZINC000022606236 210419052 /nfs/dbraw/zinc/41/90/52/210419052.db2.gz KUAVOMVNNGLXKR-OAHLLOKOSA-N 0 0 395.528 4.051 40 0 GIABRN CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cccc(Cl)c1Cl)cn2C ZINC000022237202 210407014 /nfs/dbraw/zinc/40/70/14/210407014.db2.gz WARQSUHINAKXSI-UHFFFAOYSA-N 0 0 391.254 4.496 40 0 GIABRN COc1cc(OC)cc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c1 ZINC000408620643 533067558 /nfs/dbraw/zinc/06/75/58/533067558.db2.gz IBKYQMUVUCTTQM-UHFFFAOYSA-N 0 0 390.439 4.137 40 0 GIABRN COc1ccc(Nc2nn(-c3ccc(OC)cc3)c3c2C(=O)C[C@H](C)C3)cc1 ZINC000020796923 210362790 /nfs/dbraw/zinc/36/27/90/210362790.db2.gz FSFDCFULAHJEHO-CQSZACIVSA-N 0 0 377.444 4.398 40 0 GIABRN COc1ccc([C@H]2Cc3c(c(C)nn3-c3ccc(C)cc3)C(=O)C2)c(OC)c1 ZINC000020633035 210353699 /nfs/dbraw/zinc/35/36/99/210353699.db2.gz RSZUQYAGEXEYGK-INIZCTEOSA-N 0 0 376.456 4.419 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 ZINC000020610905 210352383 /nfs/dbraw/zinc/35/23/83/210352383.db2.gz PXOLIFNJJUOBMJ-UHFFFAOYSA-N 0 0 398.875 4.183 40 0 GIABRN CCc1nc(SCc2ccc(NC(=O)CSc3ccccc3)cc2)n[nH]1 ZINC000020611446 210352389 /nfs/dbraw/zinc/35/23/89/210352389.db2.gz OFKVQCLYRDQPKO-UHFFFAOYSA-N 0 0 384.530 4.390 40 0 GIABRN COc1ccc(-n2nc3ccc(NC(=O)Cc4ccccc4)cc3n2)cc1Cl ZINC000020610803 210351993 /nfs/dbraw/zinc/35/19/93/210351993.db2.gz OFYWBZWBSJSLSR-UHFFFAOYSA-N 0 0 392.846 4.264 40 0 GIABRN COc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccc(Cl)cc3)n2)cc1 ZINC000067898810 210346911 /nfs/dbraw/zinc/34/69/11/210346911.db2.gz KLPJNXARUYDJMY-FQEVSTJZSA-N 0 0 383.879 4.312 40 0 biogenic,in-vitro GIABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000020459547 210338757 /nfs/dbraw/zinc/33/87/57/210338757.db2.gz ANNXCWSEYGQAMD-KRWDZBQOSA-N 0 0 389.908 4.040 40 0 GIABRN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020458370 210338187 /nfs/dbraw/zinc/33/81/87/210338187.db2.gz HCQNCVABVYFJGO-UHFFFAOYSA-N 0 0 386.451 4.273 40 0 GIABRN Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(I)cc1C ZINC000020456479 210337789 /nfs/dbraw/zinc/33/77/89/210337789.db2.gz MGJQISPZZJUOBF-CYBMUJFWSA-N 0 0 395.240 4.314 40 0 GIABRN Cc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000020456422 210337533 /nfs/dbraw/zinc/33/75/33/210337533.db2.gz VKNVREQFPWKTGA-KRWDZBQOSA-N 0 0 394.496 4.287 40 0 GIABRN Cc1ccc(-c2c[nH]c([C@@H]3COCCN3C(=O)N[C@H](C)c3ccccc3)n2)cc1 ZINC000067898836 210344926 /nfs/dbraw/zinc/34/49/26/210344926.db2.gz GQZGSMYPKRAEDT-UTKZUKDTSA-N 0 0 390.487 4.229 40 0 biogenic,in-vitro GIABRN Clc1cccc(CNC2(Cc3cc(COc4ccccc4)on3)COC2)c1 ZINC000067898145 210328398 /nfs/dbraw/zinc/32/83/98/210328398.db2.gz WGCIGYOFQMIEJP-UHFFFAOYSA-N 0 0 384.863 4.008 40 0 biogenic,in-vitro GIABRN O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1c(F)c(F)c(F)c(F)c1F ZINC000020143194 210319970 /nfs/dbraw/zinc/31/99/70/210319970.db2.gz GFYRCJKGIYFJFO-UHFFFAOYSA-N 0 0 383.272 4.387 40 0 GIABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cncc(Br)c1 ZINC000020143520 210319731 /nfs/dbraw/zinc/31/97/31/210319731.db2.gz SDWRVSFXKYONPC-UHFFFAOYSA-N 0 0 387.233 4.157 40 0 GIABRN Cc1ccccc1C(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)c(C)c1 ZINC000020151516 210319609 /nfs/dbraw/zinc/31/96/09/210319609.db2.gz PCWZOSFKNVLVRU-UHFFFAOYSA-N 0 0 380.469 4.183 40 0 GIABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000020112276 210318984 /nfs/dbraw/zinc/31/89/84/210318984.db2.gz CEPDALXZKYCMAE-HXUWFJFHSA-N 0 0 379.456 4.331 40 0 GIABRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc2c(c1)OCCO2 ZINC000020140761 210318002 /nfs/dbraw/zinc/31/80/02/210318002.db2.gz ZMYRNMWJTLWTDU-UHFFFAOYSA-N 0 0 385.803 4.116 40 0 GIABRN COc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 ZINC000020112795 210317732 /nfs/dbraw/zinc/31/77/32/210317732.db2.gz JWBATPMNYOQAST-JTQLQIEISA-N 0 0 390.288 4.050 40 0 GIABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)c(Cl)c1 ZINC000020108210 210316310 /nfs/dbraw/zinc/31/63/10/210316310.db2.gz BWINFIDUTDLHKQ-UHFFFAOYSA-N 0 0 385.894 4.039 40 0 GIABRN COc1cccc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2)c1 ZINC000020110217 210316320 /nfs/dbraw/zinc/31/63/20/210316320.db2.gz XOGVPKYRVAZGEF-CQSZACIVSA-N 0 0 379.909 4.166 40 0 GIABRN O=C(Nc1ccccc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020045673 210313771 /nfs/dbraw/zinc/31/37/71/210313771.db2.gz IVSGOBSDIMZOBD-UHFFFAOYSA-N 0 0 386.860 4.393 40 0 GIABRN CSc1nc2sc(C(=O)NCc3ccc(C)cc3)cc2c(N2CCCC2)n1 ZINC000408620925 533081515 /nfs/dbraw/zinc/08/15/15/533081515.db2.gz MWLUHJBTINWADG-UHFFFAOYSA-N 0 0 398.557 4.252 40 0 GIABRN CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(Br)cc2)cc1C ZINC000020029921 210312876 /nfs/dbraw/zinc/31/28/76/210312876.db2.gz LQUGNHAKOAPYRL-CYBMUJFWSA-N 0 0 398.322 4.196 40 0 GIABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](C)c2cccc(Br)c2)c(C)c1 ZINC000020029793 210312370 /nfs/dbraw/zinc/31/23/70/210312370.db2.gz MTVCKOOBZULKSM-AWEZNQCLSA-N 0 0 382.323 4.414 40 0 GIABRN CCn1c(SCC(=O)N(C)c2ccccc2)nnc1-c1ccccc1Cl ZINC000019928308 210309036 /nfs/dbraw/zinc/30/90/36/210309036.db2.gz QILZGWZSGGMAFB-UHFFFAOYSA-N 0 0 386.908 4.374 40 0 GIABRN COc1ccc(C(=O)Nc2sc(C)c(C)c2CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000019922293 210306600 /nfs/dbraw/zinc/30/66/00/210306600.db2.gz SDQQOTHGDARHHY-ZIAGYGMSSA-N 0 0 388.533 4.235 40 0 GIABRN C[C@H](NC(=O)CC1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1)C1CC1 ZINC000019748322 210290219 /nfs/dbraw/zinc/29/02/19/210290219.db2.gz NGNPFWGQPBZVAB-SFHVURJKSA-N 0 0 382.548 4.042 40 0 GIABRN COc1ccccc1CCNc1cc([C@@H](C)Cn2nc(C)c(C)c2C)nc(C)n1 ZINC000019717909 210289690 /nfs/dbraw/zinc/28/96/90/210289690.db2.gz VEZTYVWQIGMBSD-HNNXBMFYSA-N 0 0 393.535 4.374 40 0 GIABRN Cc1nccn1[C@@H](C(=O)NCC1(c2ccccc2Cl)CC1)c1ccccc1 ZINC000019718828 210289674 /nfs/dbraw/zinc/28/96/74/210289674.db2.gz VWMBOUFKGGKPHP-HXUWFJFHSA-N 0 0 379.891 4.282 40 0 GIABRN COc1ccc([C@H]2CCCN2C(=O)c2cc(COc3ccc(F)cc3)on2)cc1 ZINC000019714667 210286945 /nfs/dbraw/zinc/28/69/45/210286945.db2.gz FXZRXKCWMYEFMJ-OAQYLSRUSA-N 0 0 396.418 4.379 40 0 GIABRN CCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)CCC2 ZINC000019706199 210284431 /nfs/dbraw/zinc/28/44/31/210284431.db2.gz RJKYEUBSDBTWBV-FQEVSTJZSA-N 0 0 378.520 4.201 40 0 GIABRN Fc1ccc(OCCc2cc([C@H]3CCCN3Cc3ccncc3)[nH]n2)cc1F ZINC000019703674 210283180 /nfs/dbraw/zinc/28/31/80/210283180.db2.gz ZFCWYATZGDQQGN-OAQYLSRUSA-N 0 0 384.430 4.042 40 0 GIABRN COC(C)(C)C(=O)N1CCC[C@@H](c2ccc(Cc3ccc(Cl)cc3)cn2)C1 ZINC000019690193 210282045 /nfs/dbraw/zinc/28/20/45/210282045.db2.gz DQNBEWQUSZPIKY-GOSISDBHSA-N 0 0 386.923 4.457 40 0 GIABRN Cc1cc2ncn(CCC(=O)Nc3cnn(Cc4ccccc4F)c3)c2cc1C ZINC000019661181 210279585 /nfs/dbraw/zinc/27/95/85/210279585.db2.gz BTTHFSQHTIPJRI-UHFFFAOYSA-N 0 0 391.450 4.066 40 0 GIABRN Cc1nn(C)c2nc(C)cc(C(=O)Nc3ccc4[nH]c(C(C)(C)C)nc4c3)c12 ZINC000019662756 210279490 /nfs/dbraw/zinc/27/94/90/210279490.db2.gz SRSZOKHFAPSXNQ-UHFFFAOYSA-N 0 0 376.464 4.011 40 0 GIABRN Cc1ccccc1OC1CCN(C(=O)c2nc3cc(Cl)ccc3n2C)CC1 ZINC000019663223 210279323 /nfs/dbraw/zinc/27/93/23/210279323.db2.gz SGBJEOBCXMOWBD-UHFFFAOYSA-N 0 0 383.879 4.219 40 0 GIABRN COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3cccc(OC)c3)[nH]n2)cc1 ZINC000019660108 210277836 /nfs/dbraw/zinc/27/78/36/210277836.db2.gz CMPMTXIAEMIRMU-NRFANRHFSA-N 0 0 377.444 4.071 40 0 GIABRN Cc1onc(C(C)C)c1C(=O)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 ZINC000019579569 210270687 /nfs/dbraw/zinc/27/06/87/210270687.db2.gz OEWHKMDJIILQBQ-ZDUSSCGKSA-N 0 0 386.477 4.238 40 0 GIABRN Cc1cc(C)n(-c2cccc(C(=O)N[C@H](c3cccs3)c3ccncc3)c2)n1 ZINC000019574732 210268888 /nfs/dbraw/zinc/26/88/88/210268888.db2.gz LALSOBWVOIAHDZ-NRFANRHFSA-N 0 0 388.496 4.465 40 0 GIABRN COc1ccccc1CN(Cc1cccnc1)C(=O)c1cccc(-n2cccn2)c1 ZINC000019569976 210268643 /nfs/dbraw/zinc/26/86/43/210268643.db2.gz DEGIKAKWLQWOSU-UHFFFAOYSA-N 0 0 398.466 4.119 40 0 GIABRN O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H](c2ccnc(-c3cccnc3)n2)C1 ZINC000012119343 221153033 /nfs/dbraw/zinc/15/30/33/221153033.db2.gz FBPARXLDSAWYOO-GOSISDBHSA-N 0 0 392.890 4.141 40 0 GIABRN O=C(CCC1CCCC1)N1CCC(Cn2nc(-c3cccs3)ccc2=O)CC1 ZINC000012184000 221163930 /nfs/dbraw/zinc/16/39/30/221163930.db2.gz UBHASIULWXDMHX-UHFFFAOYSA-N 0 0 399.560 4.181 40 0 GIABRN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000014429988 221310998 /nfs/dbraw/zinc/31/09/98/221310998.db2.gz GUBXLXMABMYEKP-UHFFFAOYSA-N 0 0 391.798 4.161 40 0 GIABRN COc1ccccc1-c1c(C)nn2c1nnc1c2C[C@H](c2cccs2)CC1=O ZINC000014607720 221313439 /nfs/dbraw/zinc/31/34/39/221313439.db2.gz RGNJUMDCINOJFL-ZDUSSCGKSA-N 0 0 390.468 4.083 40 0 GIABRN Cc1ccc([S@](=O)N(OCc2ccccc2)[S@](=O)c2ccc(C)cc2)cc1 ZINC000017005478 221375145 /nfs/dbraw/zinc/37/51/45/221375145.db2.gz QKWWCEWGWIDZJS-MKPDMIMOSA-N 0 0 399.537 4.483 40 0 GIABRN COc1ccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@@]2(O)C(F)(F)F)cc1 ZINC000409088273 533318257 /nfs/dbraw/zinc/31/82/57/533318257.db2.gz KRDYZVLHEBXHJL-ZUEVXXBESA-N 0 0 398.425 4.220 40 0 GIABRN COc1ccc(C(=O)NC(=S)Nc2cc(C)c(C)cc2Br)cc1 ZINC000408593616 533319394 /nfs/dbraw/zinc/31/93/94/533319394.db2.gz CALWCNYGFKAZAF-UHFFFAOYSA-N 0 0 393.306 4.201 40 0 GIABRN COc1c(Cl)cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1Cl ZINC000409235548 533421895 /nfs/dbraw/zinc/42/18/95/533421895.db2.gz CDTKWEFDBZOEKU-CXUHLZMHSA-N 0 0 391.254 4.403 40 0 GIABRN COc1ccc(CCCC(=O)N[C@@H]2NC(c3ccccc3)=C(C)S2)cc1C ZINC000408915915 533466756 /nfs/dbraw/zinc/46/67/56/533466756.db2.gz RTZQRIDFONJEPS-JOCHJYFZSA-N 0 0 382.529 4.451 40 0 GIABRN COc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2F)c1 ZINC000408614693 533508668 /nfs/dbraw/zinc/50/86/68/533508668.db2.gz GMARBWGWIMMASX-UHFFFAOYSA-N 0 0 378.403 4.017 40 0 GIABRN COc1cc(C(=S)NC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)cc1 ZINC000408578209 533560992 /nfs/dbraw/zinc/56/09/92/533560992.db2.gz WUPOVFJTGRZYRR-KRWDZBQOSA-N 0 0 391.920 4.372 40 0 GIABRN COc1cccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)c1 ZINC000408572024 533616753 /nfs/dbraw/zinc/61/67/53/533616753.db2.gz GEUYQMWOAWOLPT-ACCUITESSA-N 0 0 378.453 4.482 40 0 GIABRN O=c1[nH]c(N2CCc3ccccc3C2)nc2nccc(C=Cc3ccccc3)c12 ZINC000040388514 132403715 /nfs/dbraw/zinc/40/37/15/132403715.db2.gz PRBFCSKURSIVRB-ZHACJKMWSA-N 0 0 380.451 4.051 40 0 GIABRN CCCCOc1ccc(NC(=O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000057711330 136153795 /nfs/dbraw/zinc/15/37/95/136153795.db2.gz WTLMFYUDKVYCKD-UHFFFAOYSA-N 0 0 395.547 4.243 40 0 GIABRN Cc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCC[C@@H](O)C4)n3n2)cc1 ZINC000001341207 136193136 /nfs/dbraw/zinc/19/31/36/136193136.db2.gz XHOXYKWKOQYXBK-HXUWFJFHSA-N 0 0 384.483 4.333 40 0 GIABRN O=C(c1ncoc1-c1ccc2ccccc2c1)N1CCN(c2ccccc2)CC1 ZINC000004932797 136194326 /nfs/dbraw/zinc/19/43/26/136194326.db2.gz LQQPBGVCIVSYJX-UHFFFAOYSA-N 0 0 383.451 4.457 40 0 GIABRN Cc1ccc(CN2c3cc(C(=O)NC(C)(C)C)ccc3OC(C)(C)C2=O)cc1 ZINC000004965748 136194375 /nfs/dbraw/zinc/19/43/75/136194375.db2.gz BHFJQQCBUWNNTK-UHFFFAOYSA-N 0 0 380.488 4.228 40 0 GIABRN Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(Cl)c(C)c2)CC1 ZINC000218937495 136203909 /nfs/dbraw/zinc/20/39/09/136203909.db2.gz GIAPBKPZJNMDQF-UHFFFAOYSA-N 0 0 393.314 4.338 40 0 GIABRN C[C@@H]1CCCC2=C1NN(C(=O)c1ccc(C(C)(C)C)cc1)[C@@]2(O)C(F)(F)F ZINC000409178481 533793971 /nfs/dbraw/zinc/79/39/71/533793971.db2.gz KDCYZFYPHVPDRC-PEELUZDISA-N 0 0 382.426 4.483 40 0 GIABRN COC(=O)c1ccc(/C=C2/SC(=O)N(CNc3ccc(C)c(C)c3)C2=O)cc1 ZINC000408973235 533959498 /nfs/dbraw/zinc/95/94/98/533959498.db2.gz KQORDHZVYWFZKN-WOJGMQOQSA-N 0 0 396.468 4.196 40 0 GIABRN Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000103718792 534083416 /nfs/dbraw/zinc/08/34/16/534083416.db2.gz LZJFGLFRLQMCBV-AWEZNQCLSA-N 0 0 376.378 4.314 40 0 GIABRN COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)Oc2ccccc2)cc1 ZINC000408737774 534149598 /nfs/dbraw/zinc/14/95/98/534149598.db2.gz OTGCCKYGXKEMAH-OAQYLSRUSA-N 0 0 390.439 4.034 40 0 GIABRN COc1ccccc1NC(=O)COc1ccc(CNc2ccccc2)cc1OC ZINC000408559206 534173807 /nfs/dbraw/zinc/17/38/07/534173807.db2.gz XXPXYEGTNKCUOJ-UHFFFAOYSA-N 0 0 392.455 4.333 40 0 GIABRN CSc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1 ZINC000408931710 534180767 /nfs/dbraw/zinc/18/07/67/534180767.db2.gz PHFNKFLQEPQWDZ-BOPFTXTBSA-N 0 0 398.509 4.392 40 0 GIABRN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1F ZINC000408706504 534188643 /nfs/dbraw/zinc/18/86/43/534188643.db2.gz AKAIRKRIVZHDNS-NSHDSACASA-N 0 0 381.234 4.433 40 0 GIABRN COc1ccc(OC)c(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)c1 ZINC000106784106 534223515 /nfs/dbraw/zinc/22/35/15/534223515.db2.gz AQAMVEOGKPTUKY-UYRXBGFRSA-N 0 0 399.468 4.128 40 0 GIABRN Cc1ccc(-n2cccc2/C=c2\sc3nc4ccccc4n3c2=O)cc1Cl ZINC000409020942 534240060 /nfs/dbraw/zinc/24/00/60/534240060.db2.gz WBHVCTLOQCGDLD-UNOMPAQXSA-N 0 0 391.883 4.209 40 0 GIABRN Cc1ccc2nsnc2c1NC(=S)NC(=O)c1ccc(Cl)cc1Cl ZINC000408575353 534526187 /nfs/dbraw/zinc/52/61/87/534526187.db2.gz UMFXLTIXABGTND-UHFFFAOYSA-N 0 0 397.312 4.433 40 0 GIABRN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000121257007 534642914 /nfs/dbraw/zinc/64/29/14/534642914.db2.gz BWYPUXVIENIVNZ-AWEZNQCLSA-N 0 0 394.924 4.077 40 0 GIABRN O=C(CSCC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1 ZINC000001961511 534659716 /nfs/dbraw/zinc/65/97/16/534659716.db2.gz RSECUMSPNUWRIZ-UHFFFAOYSA-N 0 0 387.263 4.443 40 0 GIABRN O=C(CSCc1c(Cl)cccc1Cl)N1CC(=O)Nc2ccccc21 ZINC000069064384 534665708 /nfs/dbraw/zinc/66/57/08/534665708.db2.gz PNEBRCYKOMUFCS-UHFFFAOYSA-N 0 0 381.284 4.212 40 0 GIABRN Cc1cccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)c1C ZINC000408672514 534745347 /nfs/dbraw/zinc/74/53/47/534745347.db2.gz NKLBZJSIFCGONX-POZUXBRTSA-N 0 0 390.483 4.481 40 0 GIABRN Cc1cccc(OCC(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)c1C ZINC000020411837 534750771 /nfs/dbraw/zinc/75/07/71/534750771.db2.gz TVFQSLDGQZPCGR-UHFFFAOYSA-N 0 0 398.484 4.496 40 0 GIABRN O=C1N/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1Cc1ccccc1 ZINC000409197116 534781166 /nfs/dbraw/zinc/78/11/66/534781166.db2.gz WIOZAJXCAAKSTO-IUXPMGMMSA-N 0 0 396.244 4.023 40 0 GIABRN O=C(NC(=O)c1ccccc1)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000408718189 534781682 /nfs/dbraw/zinc/78/16/82/534781682.db2.gz PDDMFHVLZPWIMN-UHFFFAOYSA-N 0 0 384.395 4.366 40 0 GIABRN CC(=O)NC(=S)Nc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000408628432 526688775 /nfs/dbraw/zinc/68/87/75/526688775.db2.gz SYGDJROJTPHUDQ-UHFFFAOYSA-N 0 0 390.262 4.090 40 0 GIABRN CC(C)NC(=O)c1ccccc1NC(=O)CSCc1c(F)cccc1Cl ZINC000409411732 527729043 /nfs/dbraw/zinc/72/90/43/527729043.db2.gz KQSWZYCQSMHOAG-UHFFFAOYSA-N 0 0 394.899 4.489 40 0 GIABRN CC1(C)OC[C@@H]([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C(=O)C[C@]23C)O1 ZINC000123282431 527811995 /nfs/dbraw/zinc/81/19/95/527811995.db2.gz POPWCUOLVRXTBA-ARWHUYQPSA-N 0 0 390.564 4.337 40 0 GIABRN CCC1CCC(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)CC1 ZINC000408706658 527845268 /nfs/dbraw/zinc/84/52/68/527845268.db2.gz BYRONRXLCQFMEP-UHFFFAOYSA-N 0 0 378.516 4.020 40 0 GIABRN CCCC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 ZINC000039752693 527956679 /nfs/dbraw/zinc/95/66/79/527956679.db2.gz ZCPSOFZEENELGS-UHFFFAOYSA-N 0 0 396.472 4.205 40 0 GIABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000408561729 528046708 /nfs/dbraw/zinc/04/67/08/528046708.db2.gz KPHPMCRYQVSQSQ-UHFFFAOYSA-N 0 0 395.912 4.323 40 0 GIABRN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(Br)cc1 ZINC000056340407 528080153 /nfs/dbraw/zinc/08/01/53/528080153.db2.gz JHHLIJWUMUVIDE-UHFFFAOYSA-N 0 0 375.266 4.183 40 0 GIABRN CC(C)c1ccc(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000408705965 528110983 /nfs/dbraw/zinc/11/09/83/528110983.db2.gz RMYLZPBKPRKFMK-UHFFFAOYSA-N 0 0 392.496 4.134 40 0 GIABRN CCCN1C(=O)N/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C1=O ZINC000409239762 528175161 /nfs/dbraw/zinc/17/51/61/528175161.db2.gz DYYUZSHQNOEIGX-GDNBJRDFSA-N 0 0 389.249 4.320 40 0 GIABRN CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)ccc1O ZINC000409137763 528196107 /nfs/dbraw/zinc/19/61/07/528196107.db2.gz XPOXEACHEGSJIH-XMHGGMMESA-N 0 0 383.469 4.460 40 0 GIABRN CCCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 ZINC000409411456 528213009 /nfs/dbraw/zinc/21/30/09/528213009.db2.gz XBZWVBCMVOPWNS-UHFFFAOYSA-N 0 0 388.533 4.333 40 0 GIABRN CCOc1cc(C(=S)NC[C@@H]2CCCO2)ccc1OCc1ccc(F)cc1 ZINC000408578843 528239753 /nfs/dbraw/zinc/23/97/53/528239753.db2.gz ZQHQAMMWDHNLFT-SFHVURJKSA-N 0 0 389.492 4.248 40 0 GIABRN CC1CCN(c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000408707257 528269466 /nfs/dbraw/zinc/26/94/66/528269466.db2.gz IMPUKMQIIDYKJK-KRWDZBQOSA-N 0 0 395.478 4.054 40 0 GIABRN CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2c(C)cccc2C)cc1 ZINC000409101453 528358664 /nfs/dbraw/zinc/35/86/64/528358664.db2.gz YIJBYHXQFFMYER-UHFFFAOYSA-N 0 0 396.516 4.322 40 0 GIABRN CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000408706841 528489219 /nfs/dbraw/zinc/48/92/19/528489219.db2.gz FUNAIQIKLHIQSB-UHFFFAOYSA-N 0 0 395.341 4.499 40 0 GIABRN CCOc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(CC)cc2)cc1 ZINC000409102474 528513365 /nfs/dbraw/zinc/51/33/65/528513365.db2.gz AEFUNYXONCIEOH-UHFFFAOYSA-N 0 0 396.516 4.268 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1 ZINC000408624476 528565498 /nfs/dbraw/zinc/56/54/98/528565498.db2.gz XFBDUMNTTIUKJJ-UHFFFAOYSA-N 0 0 399.340 4.461 40 0 GIABRN CCCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3)o2)c1 ZINC000409343602 528581907 /nfs/dbraw/zinc/58/19/07/528581907.db2.gz FBDNROFBVYVNKB-UHFFFAOYSA-N 0 0 397.456 4.034 40 0 GIABRN CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)C1=O ZINC000409072577 528953580 /nfs/dbraw/zinc/95/35/80/528953580.db2.gz SXRGUFLNRWPIFB-WOJGMQOQSA-N 0 0 387.432 4.470 40 0 GIABRN CCN1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)C1=O ZINC000409076063 528953645 /nfs/dbraw/zinc/95/36/45/528953645.db2.gz XHFLYVSREUYAIS-LDADJPATSA-N 0 0 396.468 4.069 40 0 GIABRN CCN(C(=O)CSc1nc2c(c(C(F)(F)F)n1)CCC2)c1ccccc1 ZINC000408546327 528966503 /nfs/dbraw/zinc/96/65/03/528966503.db2.gz GTCJSDTWVHMAIS-UHFFFAOYSA-N 0 0 381.423 4.129 40 0 GIABRN CCOC(=O)N[C@H](CC(=O)Nc1cc(Cl)ccc1OC)c1ccccc1 ZINC000409000773 529100561 /nfs/dbraw/zinc/10/05/61/529100561.db2.gz FWDFSFRCXRZBMQ-OAHLLOKOSA-N 0 0 376.840 4.165 40 0 GIABRN CC[C@H](C)Oc1ccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc1 ZINC000409393673 529192051 /nfs/dbraw/zinc/19/20/51/529192051.db2.gz RYSRFXNOWLWFIU-DKNZLLBESA-N 0 0 378.497 4.251 40 0 GIABRN CC[C@H](C)n1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)c2ccccc21 ZINC000409104260 529284787 /nfs/dbraw/zinc/28/47/87/529284787.db2.gz GXUNLNPUWHRMRM-SUDGVTIPSA-N 0 0 386.473 4.210 40 0 GIABRN Cn1cc(CN2C[C@@H](F)[C@@H](OCc3nc4ccccc4o3)C2)c2ccccc21 ZINC000096112097 560061028 /nfs/dbraw/zinc/06/10/28/560061028.db2.gz KLGIMSFNARLVAU-UTKZUKDTSA-N 0 0 379.435 4.059 40 0 biogenic,in-vitro GIABRN O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3ccc(Cl)cc3)ccc12 ZINC000004237110 560197612 /nfs/dbraw/zinc/19/76/12/560197612.db2.gz UEXMKPITTIFPMO-GOEBONIOSA-N 0 0 394.858 4.021 40 0 biogenic,in-vitro GIABRN COc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 ZINC000205622380 570226445 /nfs/dbraw/zinc/22/64/45/570226445.db2.gz OTHYHWOQQDAQOI-RGEXLXHISA-N 0 0 392.480 4.475 40 0 GIABRN COCCC(=O)N[C@]1(C)C[C@H](c2ccc(F)cc2)O[C@H](c2ccc(F)cc2)C1 ZINC000585262242 570229721 /nfs/dbraw/zinc/22/97/21/570229721.db2.gz RGFWUJSIFVOJGU-VTYHHJSWSA-N 0 0 389.442 4.469 40 0 GIABRN C[C@]1(O)CN(C(=O)c2cccc(Cl)c2)CC[C@@H]1Oc1cccc(Cl)c1 ZINC000585262251 570230226 /nfs/dbraw/zinc/23/02/26/570230226.db2.gz YSXYPWMJMAJRNI-HKUYNNGSSA-N 0 0 380.271 4.038 40 0 GIABRN CC(C)C(=O)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn43)n2)C1 ZINC000585262825 570231206 /nfs/dbraw/zinc/23/12/06/570231206.db2.gz JSAVZOKVIJVFMJ-OAHLLOKOSA-N 0 0 382.895 4.412 40 0 GIABRN Cc1cc(Nc2ccccn2)nc([C@H]2CCCCN2C(=O)C=Cc2ccccc2)n1 ZINC000585292994 570261958 /nfs/dbraw/zinc/26/19/58/570261958.db2.gz QUAIJIRLSDUIBX-FBRRREGBSA-N 0 0 399.498 4.113 40 0 GIABRN Cc1ccc(OCC(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1 ZINC000020611158 570280588 /nfs/dbraw/zinc/28/05/88/570280588.db2.gz KKSGHXQYGOZQIA-UHFFFAOYSA-N 0 0 390.418 4.194 40 0 GIABRN Cc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4Cl)cc3n2)cc1 ZINC000020609996 570280603 /nfs/dbraw/zinc/28/06/03/570280603.db2.gz FSMMTYNNBHCOKN-UHFFFAOYSA-N 0 0 392.846 4.400 40 0 GIABRN O=c1c2ccccc2n2c(-c3ccc(Cl)cc3)nnc2n1Cc1ccccc1 ZINC000006781118 570283703 /nfs/dbraw/zinc/28/37/03/570283703.db2.gz XKQFEWBBRJFMHF-UHFFFAOYSA-N 0 0 386.842 4.413 40 0 GIABRN Cc1cc(NC(=O)COC(=O)c2cccc(Cl)c2)ccc1Br ZINC000003385805 570299990 /nfs/dbraw/zinc/29/99/90/570299990.db2.gz VFKYVIZLNYEXGN-UHFFFAOYSA-N 0 0 382.641 4.206 40 0 GIABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000216390422 570300438 /nfs/dbraw/zinc/30/04/38/570300438.db2.gz VCEFWDUQWPSURD-FQEVSTJZSA-N 0 0 384.451 4.248 40 0 GIABRN O=C(CCCN1CCN2Cc3[nH]c4ccccc4c3C[C@H]2C1)c1ccc(F)cc1 ZINC000022043131 570303249 /nfs/dbraw/zinc/30/32/49/570303249.db2.gz YCNCIZWAGQTWBI-IBGZPJMESA-N 0 0 391.490 4.012 40 0 in-man GIABRN CCOc1ccccc1-c1nnc(SCC(=O)Nc2cc(C)ccc2C)o1 ZINC000021545434 570305285 /nfs/dbraw/zinc/30/52/85/570305285.db2.gz IRRATJRAMBZRJV-UHFFFAOYSA-N 0 0 383.473 4.483 40 0 GIABRN COc1cccc(-c2nc3cc(NC(=S)NC(=O)C(C)(C)C)ccc3o2)c1 ZINC000021579636 570306276 /nfs/dbraw/zinc/30/62/76/570306276.db2.gz MLAODLYFZMQOQA-UHFFFAOYSA-N 0 0 383.473 4.363 40 0 GIABRN Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(C)c(Cl)c3)nn12 ZINC000021595564 570307001 /nfs/dbraw/zinc/30/70/01/570307001.db2.gz YFZZCDZKGCFDGY-UHFFFAOYSA-N 0 0 383.864 4.375 40 0 GIABRN CSc1ccc([C@@H](C)NC(=O)c2cn3c4c(cccc4c2=O)CCC3)cc1 ZINC000022235588 570309248 /nfs/dbraw/zinc/30/92/48/570309248.db2.gz FMCPMTOYZIZROS-CQSZACIVSA-N 0 0 378.497 4.161 40 0 GIABRN CCCc1nc2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc2s1 ZINC000022255052 570311255 /nfs/dbraw/zinc/31/12/55/570311255.db2.gz BOCDLFYWBSFNOQ-UHFFFAOYSA-N 0 0 392.502 4.067 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(NC3CCC3)nc2)cc1 ZINC000072213876 570314044 /nfs/dbraw/zinc/31/40/44/570314044.db2.gz LTQCEYGBCADHQF-HXUWFJFHSA-N 0 0 385.533 4.270 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(NCC(C)C)nc2)cc1 ZINC000072213353 570314053 /nfs/dbraw/zinc/31/40/53/570314053.db2.gz CCPMMILOQCBLIA-FQEVSTJZSA-N 0 0 387.549 4.374 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2N2CCCCC2)cc1 ZINC000072216141 570317113 /nfs/dbraw/zinc/31/71/13/570317113.db2.gz PWTOKCXLPRACPJ-NRFANRHFSA-N 0 0 399.560 4.296 40 0 GIABRN Cc1cc(N2CCOCC2)ncc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072219430 570318287 /nfs/dbraw/zinc/31/82/87/570318287.db2.gz FHNUYLVAHZRSMV-NRFANRHFSA-N 0 0 395.503 4.090 40 0 GIABRN N[C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Br)cc1 ZINC000072227790 570319107 /nfs/dbraw/zinc/31/91/07/570319107.db2.gz PTOCXHUOOLZTDU-UONOGXRCSA-N 0 0 386.076 4.171 40 0 GIABRN CCOC(=O)c1cc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)ccc1Cl ZINC000022518764 570319564 /nfs/dbraw/zinc/31/95/64/570319564.db2.gz LQPAHWCHSUQZBH-UXBLZVDNSA-N 0 0 389.835 4.186 40 0 GIABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000022519932 570319775 /nfs/dbraw/zinc/31/97/75/570319775.db2.gz JXEHALNCFLVSII-IBGZPJMESA-N 0 0 393.314 4.500 40 0 GIABRN COc1ccc(CCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000022531377 570320812 /nfs/dbraw/zinc/32/08/12/570320812.db2.gz NPCQKZJRMZWWSO-UHFFFAOYSA-N 0 0 397.496 4.399 40 0 GIABRN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCc1ccc(Cl)cc1 ZINC000110931566 570325406 /nfs/dbraw/zinc/32/54/06/570325406.db2.gz KQFHKTNFZLBCAA-UHFFFAOYSA-N 0 0 378.708 4.309 40 0 GIABRN COc1cc(C(=S)NC[C@@H]2CCCO2)cc(Cl)c1OCc1ccccc1 ZINC000408572355 570336156 /nfs/dbraw/zinc/33/61/56/570336156.db2.gz GKDINUMXSYLHSI-INIZCTEOSA-N 0 0 391.920 4.372 40 0 GIABRN CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000113967340 570338018 /nfs/dbraw/zinc/33/80/18/570338018.db2.gz RHEZDSPPMGNXAL-SFHVURJKSA-N 0 0 392.496 4.132 40 0 GIABRN Cc1ccccc1N(CCCC(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000113968276 570338667 /nfs/dbraw/zinc/33/86/67/570338667.db2.gz GOBNVIXYPNIZCE-UHFFFAOYSA-N 0 0 388.533 4.303 40 0 GIABRN Cc1ccc(SCCNC(=O)COc2ccc(Br)cc2)cc1 ZINC000218813050 570341342 /nfs/dbraw/zinc/34/13/42/570341342.db2.gz ZZGCMNIHUWIVSL-UHFFFAOYSA-N 0 0 380.307 4.045 40 0 GIABRN O=C(COc1ccc(Br)cc1)NCCCc1ccc(Cl)cc1 ZINC000218815779 570341473 /nfs/dbraw/zinc/34/14/73/570341473.db2.gz NVXRESSFQVOEFH-UHFFFAOYSA-N 0 0 382.685 4.230 40 0 GIABRN COc1ccc(CN(C)C(=O)COc2cc(C)c(Br)c(C)c2)cc1 ZINC000218831471 570341751 /nfs/dbraw/zinc/34/17/51/570341751.db2.gz KZHZGDVIEKIAAW-UHFFFAOYSA-N 0 0 392.293 4.112 40 0 GIABRN Cc1ccccc1OC[C@H](C)NC(=O)COc1ccc(Br)c(C)c1 ZINC000218828348 570341758 /nfs/dbraw/zinc/34/17/58/570341758.db2.gz BHUNDMYDXDBZRI-HNNXBMFYSA-N 0 0 392.293 4.028 40 0 GIABRN CCOc1cc(C(=S)NCCOC)ccc1OCc1ccccc1Cl ZINC000408574687 570342250 /nfs/dbraw/zinc/34/22/50/570342250.db2.gz MGSBAKVEPSXLAV-UHFFFAOYSA-N 0 0 379.909 4.229 40 0 GIABRN Cc1ccccc1NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000006056805 570346059 /nfs/dbraw/zinc/34/60/59/570346059.db2.gz NNQRZGAILRAALD-GFCCVEGCSA-N 0 0 382.243 4.251 40 0 GIABRN CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccc(OC)c(OC)c1 ZINC000219061118 570347225 /nfs/dbraw/zinc/34/72/25/570347225.db2.gz USXCLVQBVIMFEJ-CZUORRHYSA-N 0 0 377.868 4.392 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC3CCCCC3)c2)cc1 ZINC000023155419 570347375 /nfs/dbraw/zinc/34/73/75/570347375.db2.gz NANKRDZWCHMMOB-UHFFFAOYSA-N 0 0 386.517 4.106 40 0 GIABRN Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(N3CCCC3=O)c1)CC(C)(C)O2 ZINC000219214986 570349722 /nfs/dbraw/zinc/34/97/22/570349722.db2.gz LAPHTMRBBHLCEB-IBGZPJMESA-N 0 0 378.472 4.154 40 0 GIABRN CCc1ccccc1O[C@H](C)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000219296866 570351969 /nfs/dbraw/zinc/35/19/69/570351969.db2.gz DXOARJHCWWBKCK-MRXNPFEDSA-N 0 0 379.460 4.033 40 0 GIABRN CC(C)c1ccccc1O[C@H](C)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000219301007 570352176 /nfs/dbraw/zinc/35/21/76/570352176.db2.gz ORJMRQYLQXAVOH-CQSZACIVSA-N 0 0 385.489 4.347 40 0 GIABRN COc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)c1 ZINC000219305179 570353356 /nfs/dbraw/zinc/35/33/56/570353356.db2.gz LDUOPGXAKROEGD-MRXNPFEDSA-N 0 0 375.424 4.332 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1cccc(C)c1C ZINC000219310616 570354005 /nfs/dbraw/zinc/35/40/05/570354005.db2.gz DAEKQYWVEMMLDP-QFBILLFUSA-N 0 0 383.488 4.498 40 0 GIABRN CC[C@H](Oc1ccccc1Cl)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000219320797 570354820 /nfs/dbraw/zinc/35/48/20/570354820.db2.gz PCBYMGAJSDJJOS-KRWDZBQOSA-N 0 0 391.895 4.264 40 0 GIABRN C=CCOc1ccc(Br)cc1/C=C1/SC(=O)N(CCC)C1=O ZINC000006323910 570356270 /nfs/dbraw/zinc/35/62/70/570356270.db2.gz CCEFIZFKXQYDKR-GXDHUFHOSA-N 0 0 382.279 4.460 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1nc(-c2ccc(C)cc2)no1 ZINC000219370985 570357301 /nfs/dbraw/zinc/35/73/01/570357301.db2.gz QOPMRMZZOXFRHO-GOSISDBHSA-N 0 0 379.460 4.136 40 0 GIABRN COC(=O)c1ccc(NC(=O)CCCN2c3cccc4cccc(c34)C2=O)cc1 ZINC000219454070 570361997 /nfs/dbraw/zinc/36/19/97/570361997.db2.gz QSWSIMNZCPGQGW-UHFFFAOYSA-N 0 0 388.423 4.006 40 0 GIABRN C[C@H](c1nnnn1C(C)(C)C)N(Cc1cccnc1)Cc1ccccc1Cl ZINC000057614082 570366005 /nfs/dbraw/zinc/36/60/05/570366005.db2.gz AWPCEWWPJOKOCD-OAHLLOKOSA-N 0 0 384.915 4.240 40 0 GIABRN CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118925021 570368468 /nfs/dbraw/zinc/36/84/68/570368468.db2.gz DCPCOYRRYCABSA-ZGIWMXSJSA-N 0 0 376.537 4.283 40 0 GIABRN CCOC(=O)C=C(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118929436 570368683 /nfs/dbraw/zinc/36/86/83/570368683.db2.gz RYKHHNIWOFKOBP-SSKIGTPDSA-N 0 0 388.548 4.449 40 0 GIABRN COc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000408625063 570376042 /nfs/dbraw/zinc/37/60/42/570376042.db2.gz HYUMGTSEYKGZIG-UHFFFAOYSA-N 0 0 389.423 4.369 40 0 GIABRN COCCNC(=O)c1ccccc1NC(=O)c1cc2c(ccc3ccccc23)o1 ZINC000408626917 570379072 /nfs/dbraw/zinc/37/90/72/570379072.db2.gz YGRNSQBVQSUGKI-UHFFFAOYSA-N 0 0 388.423 4.215 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1C(=O)N1CCCCC1 ZINC000408627455 570380016 /nfs/dbraw/zinc/38/00/16/570380016.db2.gz ZUOZIEZCOKHCGU-UHFFFAOYSA-N 0 0 392.908 4.075 40 0 GIABRN O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc2c(Cl)cccc12 ZINC000408629090 570381138 /nfs/dbraw/zinc/38/11/38/570381138.db2.gz ZCYLHFQFRSLAOM-UHFFFAOYSA-N 0 0 396.859 4.202 40 0 GIABRN CC(C)COc1ccc(C(=O)NC(=S)Nc2ccccc2OC(F)F)cc1 ZINC000408628976 570381178 /nfs/dbraw/zinc/38/11/78/570381178.db2.gz YWLZHCUQLHJGSM-UHFFFAOYSA-N 0 0 394.443 4.450 40 0 GIABRN CC[C@H](C(=O)Nc1ccccc1Cl)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220558987 570388532 /nfs/dbraw/zinc/38/85/32/570388532.db2.gz FZLGLRUFLWDLKT-GOSISDBHSA-N 0 0 394.924 4.140 40 0 GIABRN Cc1ccc(OCc2nnc([N-]C(=O)c3ncoc3-c3cccs3)s2)cc1 ZINC000005001958 570393634 /nfs/dbraw/zinc/39/36/34/570393634.db2.gz VZLDJRGKCVURIX-UHFFFAOYSA-N 0 0 398.469 4.394 40 0 GIABRN COc1ccc(-c2csc(NC(=O)COc3ccc(C)cc3C)n2)cc1OC ZINC000023947774 570398466 /nfs/dbraw/zinc/39/84/66/570398466.db2.gz ZTBBHPCDINNMHF-UHFFFAOYSA-N 0 0 398.484 4.462 40 0 GIABRN O=C(C[C@@]12CCCC[C@@H]1C2(F)F)NCc1cccnc1-n1cnc2ccccc21 ZINC000685939014 570398826 /nfs/dbraw/zinc/39/88/26/570398826.db2.gz CCWNMGYLROMZRP-RXVVDRJESA-N 0 0 396.441 4.252 40 0 GIABRN CCN(c1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1)S(=O)(=O)CC ZINC000222393031 570409544 /nfs/dbraw/zinc/40/95/44/570409544.db2.gz XTJDOUCVRBHUHK-UHFFFAOYSA-N 0 0 380.897 4.077 40 0 GIABRN CCN(c1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1)S(=O)(=O)CC ZINC000222393121 570409636 /nfs/dbraw/zinc/40/96/36/570409636.db2.gz DLSRQTXIAZPZDG-UHFFFAOYSA-N 0 0 380.897 4.077 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F ZINC000222457641 570411215 /nfs/dbraw/zinc/41/12/15/570411215.db2.gz RXCVFYRDCFDJGD-OAQYLSRUSA-N 0 0 384.495 4.009 40 0 GIABRN CC(C)c1ccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 ZINC000222488611 570412367 /nfs/dbraw/zinc/41/23/67/570412367.db2.gz SDNIBPUBIZUTEH-UHFFFAOYSA-N 0 0 380.897 4.112 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 ZINC000222503698 570413063 /nfs/dbraw/zinc/41/30/63/570413063.db2.gz NPYFNRPJUDOGKM-NRFANRHFSA-N 0 0 384.495 4.009 40 0 GIABRN CC(C)N(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2nc(Cl)n(C)c2c1 ZINC000222554496 570414234 /nfs/dbraw/zinc/41/42/34/570414234.db2.gz CQMRTBFLKDOTCF-UHFFFAOYSA-N 0 0 381.867 4.154 40 0 GIABRN COc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(Cl)cc1O ZINC000222590284 570415853 /nfs/dbraw/zinc/41/58/53/570415853.db2.gz GFEYHABLQHPKEU-POJUEXTFSA-N 0 0 375.881 4.039 40 0 GIABRN CC[C@@H]1C[C@H](CNC(=O)Nc2ccc(I)cc2)C1(C)C ZINC000005468263 570441321 /nfs/dbraw/zinc/44/13/21/570441321.db2.gz UIAJZRNLRIXGIP-VXGBXAGGSA-N 0 0 386.277 4.485 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222615915 570416936 /nfs/dbraw/zinc/41/69/36/570416936.db2.gz UIRGTFDBDOPFGH-QGZVFWFLSA-N 0 0 398.522 4.219 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1C ZINC000222625330 570417546 /nfs/dbraw/zinc/41/75/46/570417546.db2.gz BRZNPFMPZOTBRS-NFBKMPQASA-N 0 0 394.559 4.302 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1F ZINC000222626380 570417663 /nfs/dbraw/zinc/41/76/63/570417663.db2.gz BYRZPWACVNTCKU-GCJKJVERSA-N 0 0 398.522 4.133 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 ZINC000222637833 570417989 /nfs/dbraw/zinc/41/79/89/570417989.db2.gz SYWBXZBRLSKRSU-CQSZACIVSA-N 0 0 393.314 4.089 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(Cl)c(O)c(OC)c3)N21 ZINC000222656919 570419008 /nfs/dbraw/zinc/41/90/08/570419008.db2.gz YQLIDUXUGISXPR-OAUYIBNBSA-N 0 0 389.908 4.429 40 0 GIABRN O=C(CSCc1ccccc1F)Nc1ccccc1C(=O)N1CCCCC1 ZINC000222703646 570421347 /nfs/dbraw/zinc/42/13/47/570421347.db2.gz HJKCKXJAVNMZFF-UHFFFAOYSA-N 0 0 386.492 4.324 40 0 GIABRN Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)ccc1Cl ZINC000222734335 570422935 /nfs/dbraw/zinc/42/29/35/570422935.db2.gz UALYJOGEFUIYGP-KBPBESRZSA-N 0 0 375.852 4.064 40 0 GIABRN Cc1ccc(CN(C(=O)COc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222748425 570423873 /nfs/dbraw/zinc/42/38/73/570423873.db2.gz SFUGINQYQSLZPA-LJQANCHMSA-N 0 0 396.531 4.014 40 0 GIABRN Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 ZINC000007380787 570425606 /nfs/dbraw/zinc/42/56/06/570425606.db2.gz YJABNWXREWJYHN-SFHVURJKSA-N 0 0 386.923 4.381 40 0 GIABRN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCCc1ccccc1 ZINC000222835351 570428175 /nfs/dbraw/zinc/42/81/75/570428175.db2.gz ANAIMZYBMGNGBV-QGZVFWFLSA-N 0 0 386.923 4.072 40 0 GIABRN COc1ccc(/C=C/C(=O)NCc2cccc3ccccc32)c(OC)c1OC ZINC000222829945 570428248 /nfs/dbraw/zinc/42/82/48/570428248.db2.gz YNKJHVPXDJJLFP-WYMLVPIESA-N 0 0 377.440 4.195 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1 ZINC000222845587 570428688 /nfs/dbraw/zinc/42/86/88/570428688.db2.gz UOIVNQVCICJKKV-LLVKDONJSA-N 0 0 382.243 4.494 40 0 GIABRN COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccccc2F)o1 ZINC000007610287 570430691 /nfs/dbraw/zinc/43/06/91/570430691.db2.gz SLTNXUATWFEVIB-UHFFFAOYSA-N 0 0 393.827 4.269 40 0 GIABRN COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c(OC)c1OC ZINC000222908648 570430908 /nfs/dbraw/zinc/43/09/08/570430908.db2.gz WYCJCVTXYICTIK-WCRPCQDQSA-N 0 0 395.499 4.482 40 0 GIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000222907396 570430935 /nfs/dbraw/zinc/43/09/35/570430935.db2.gz DCXIJEQFFJNKOK-OAHLLOKOSA-N 0 0 390.886 4.313 40 0 GIABRN CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000222912014 570431171 /nfs/dbraw/zinc/43/11/71/570431171.db2.gz OYCOGWONPZOUSA-OAHLLOKOSA-N 0 0 390.886 4.169 40 0 GIABRN CC(C)CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000222922647 570431461 /nfs/dbraw/zinc/43/14/61/570431461.db2.gz LCRQWQSPRVDBKU-IBGZPJMESA-N 0 0 398.522 4.338 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000222935505 570432060 /nfs/dbraw/zinc/43/20/60/570432060.db2.gz BMCBTBIZQWHMPI-QGZVFWFLSA-N 0 0 386.923 4.053 40 0 GIABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 ZINC000222950245 570432922 /nfs/dbraw/zinc/43/29/22/570432922.db2.gz YQCXSCICXNAUNM-PMACEKPBSA-N 0 0 377.517 4.040 40 0 GIABRN Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O ZINC000007928358 570433222 /nfs/dbraw/zinc/43/32/22/570433222.db2.gz LFUMJQIWNDUIHK-AWEZNQCLSA-N 0 0 376.378 4.314 40 0 GIABRN CC(=O)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000007929490 570433738 /nfs/dbraw/zinc/43/37/38/570433738.db2.gz HYIRHUIZBDBJCE-LBPRGKRZSA-N 0 0 392.238 4.155 40 0 GIABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000222974476 570434297 /nfs/dbraw/zinc/43/42/97/570434297.db2.gz DAQDIJRFGIBBIX-IBGZPJMESA-N 0 0 393.487 4.478 40 0 GIABRN COc1ccc(Nc2cc(C)nc(Nc3ccc(OC)cc3OC)n2)c(OC)c1 ZINC000005337015 570434330 /nfs/dbraw/zinc/43/43/30/570434330.db2.gz SPWBNIMQXGYKHZ-UHFFFAOYSA-N 0 0 396.447 4.307 40 0 GIABRN COc1cc2c(cc1S(=O)(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)CCCC2 ZINC000223004776 570436623 /nfs/dbraw/zinc/43/66/23/570436623.db2.gz XQZDMWCWVVMSFK-INIZCTEOSA-N 0 0 399.556 4.492 40 0 GIABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000223003358 570436701 /nfs/dbraw/zinc/43/67/01/570436701.db2.gz NXRKODGVTSUYPM-FQEVSTJZSA-N 0 0 393.487 4.478 40 0 GIABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000223004185 570436712 /nfs/dbraw/zinc/43/67/12/570436712.db2.gz OUACCXXWWGTOJW-MRXNPFEDSA-N 0 0 385.489 4.231 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C ZINC000223010932 570437245 /nfs/dbraw/zinc/43/72/45/570437245.db2.gz UBVASCFTKHHJPK-OAQYLSRUSA-N 0 0 396.531 4.051 40 0 GIABRN CC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)CCCC2 ZINC000223021265 570437949 /nfs/dbraw/zinc/43/79/49/570437949.db2.gz LCOSPDDNYOBMHJ-LJQANCHMSA-N 0 0 383.488 4.472 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C ZINC000223044552 570439465 /nfs/dbraw/zinc/43/94/65/570439465.db2.gz DXIMGOAPQGLEFU-FQEVSTJZSA-N 0 0 396.531 4.016 40 0 GIABRN CC[C@@H](NS(=O)(=O)c1ccc(OC)c(F)c1)c1ccc2c(c1)CCCC2 ZINC000223094489 570442787 /nfs/dbraw/zinc/44/27/87/570442787.db2.gz JTUZHEKUPGLZQM-LJQANCHMSA-N 0 0 377.481 4.143 40 0 GIABRN C[C@@H]1Cc2cccc3c2n1cc(C(=O)NCc1ccc(Cl)cc1Cl)c3=O ZINC000223094402 570442936 /nfs/dbraw/zinc/44/29/36/570442936.db2.gz ZWFFMRRPHQGXMP-LLVKDONJSA-N 0 0 387.266 4.355 40 0 GIABRN COc1ccc(C=C2SC(=O)NC2=O)cc1OCc1ccc(Cl)cc1 ZINC000005720854 570453075 /nfs/dbraw/zinc/45/30/75/570453075.db2.gz JXJQEYSBHDWSMV-CXUHLZMHSA-N 0 0 375.833 4.252 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc2c(c1)CCCC2 ZINC000223266316 570454803 /nfs/dbraw/zinc/45/48/03/570454803.db2.gz TXTOUBSHKFSEPJ-OAQYLSRUSA-N 0 0 395.499 4.371 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccc(OC)cc1 ZINC000223293128 570456779 /nfs/dbraw/zinc/45/67/79/570456779.db2.gz PVLFMGBUEBANKC-QHCPKHFHSA-N 0 0 381.516 4.480 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223312860 570457619 /nfs/dbraw/zinc/45/76/19/570457619.db2.gz WGDGVPBSBNMMQS-NRFANRHFSA-N 0 0 398.522 4.399 40 0 GIABRN Cc1cccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)c1 ZINC000223328702 570458687 /nfs/dbraw/zinc/45/86/87/570458687.db2.gz NXGUKSBVAKUKFH-STZFKDTASA-N 0 0 390.508 4.452 40 0 GIABRN C[C@]12CC[C@H]3[C@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000026964914 570459700 /nfs/dbraw/zinc/45/97/00/570459700.db2.gz QEEBRPGZBVVINN-SDRXEGOHSA-N 0 0 386.532 4.242 40 0 GIABRN NC(=O)c1cc2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c(Br)c1 ZINC000226344892 570460420 /nfs/dbraw/zinc/46/04/20/570460420.db2.gz YXNAHHOSOZTMEF-UHFFFAOYSA-N 0 0 385.048 4.398 40 0 GIABRN Cc1ccccc1C(=O)NC1CCN(C(=S)Nc2ccccc2Cl)CC1 ZINC000035291898 570461174 /nfs/dbraw/zinc/46/11/74/570461174.db2.gz NBJNYWOWCRGIGX-UHFFFAOYSA-N 0 0 387.936 4.240 40 0 GIABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C ZINC000223379759 570463185 /nfs/dbraw/zinc/46/31/85/570463185.db2.gz SLHYTNMPJUOOLP-NHCUHLMSSA-N 0 0 376.529 4.210 40 0 GIABRN CCCCCc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000005978241 570463436 /nfs/dbraw/zinc/46/34/36/570463436.db2.gz KVAKULJATMFOBP-UHFFFAOYSA-N 0 0 390.524 4.069 40 0 GIABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3nccs3)o2)cc1Cl ZINC000006033929 570464353 /nfs/dbraw/zinc/46/43/53/570464353.db2.gz XXGOYECFUMYHTL-UHFFFAOYSA-N 0 0 377.878 4.492 40 0 GIABRN Cc1ccc(C(=O)NC2CCN(C(=S)Nc3ccc(C)c(C)c3)CC2)cc1 ZINC000035310774 570465640 /nfs/dbraw/zinc/46/56/40/570465640.db2.gz UHAJABOUVLWALW-UHFFFAOYSA-N 0 0 381.545 4.203 40 0 GIABRN CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccc(OC)cc1 ZINC000223442307 570466393 /nfs/dbraw/zinc/46/63/93/570466393.db2.gz UZPSHGPWRXWAGS-RTWAWAEBSA-N 0 0 392.528 4.084 40 0 GIABRN COc1cccc(NC(=O)N2CCC[C@H]2C(=O)Nc2cccc3c2CCCC3)c1 ZINC000035311989 570467153 /nfs/dbraw/zinc/46/71/53/570467153.db2.gz GHFLYTSZJMJGOT-NRFANRHFSA-N 0 0 393.487 4.209 40 0 GIABRN CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)s1 ZINC000223518037 570469492 /nfs/dbraw/zinc/46/94/92/570469492.db2.gz GIBGHPQYXQBLTK-OAHLLOKOSA-N 0 0 377.535 4.325 40 0 GIABRN Cc1cc(NC(=O)c2cccnc2Cl)c(C)cc1I ZINC000006233106 570472907 /nfs/dbraw/zinc/47/29/07/570472907.db2.gz UERYNKHLEAQDHY-UHFFFAOYSA-N 0 0 386.620 4.209 40 0 GIABRN CC(=O)NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000006238446 570473455 /nfs/dbraw/zinc/47/34/55/570473455.db2.gz XCVWBQKRDYANJC-UHFFFAOYSA-N 0 0 382.272 4.079 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1F ZINC000223607462 570474055 /nfs/dbraw/zinc/47/40/55/570474055.db2.gz COFXMGLZRMWLLU-OAQYLSRUSA-N 0 0 384.495 4.092 40 0 GIABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C)cc3Br)CC2=O)cc1 ZINC000026643793 570474213 /nfs/dbraw/zinc/47/42/13/570474213.db2.gz ZXNYQTIDRNERJQ-CQSZACIVSA-N 0 0 387.277 4.058 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 ZINC000223626823 570475480 /nfs/dbraw/zinc/47/54/80/570475480.db2.gz LKHVJAJHYXOJHX-LJQANCHMSA-N 0 0 398.572 4.172 40 0 GIABRN Cc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc4c(c3)CCCC4)n2)cc1 ZINC000223643371 570476174 /nfs/dbraw/zinc/47/61/74/570476174.db2.gz HKTCOGYGHBEQPY-INIZCTEOSA-N 0 0 391.471 4.008 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 ZINC000223640084 570476367 /nfs/dbraw/zinc/47/63/67/570476367.db2.gz BNRSBFPONMJEAV-SFHVURJKSA-N 0 0 384.545 4.031 40 0 GIABRN COc1ccc2cc(S(=O)(=O)N[C@H]3CC(C)(C)Oc4ccccc43)ccc2c1 ZINC000223703851 570480112 /nfs/dbraw/zinc/48/01/12/570480112.db2.gz DBRNYOJYQDCYAR-FQEVSTJZSA-N 0 0 397.496 4.429 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1C ZINC000223718558 570481179 /nfs/dbraw/zinc/48/11/79/570481179.db2.gz AUTGSTNMKJVBLU-QFIPXVFZSA-N 0 0 394.559 4.302 40 0 GIABRN O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000000796215 570481590 /nfs/dbraw/zinc/48/15/90/570481590.db2.gz NDWYBZKIEUHWBE-UHFFFAOYSA-N 0 0 382.407 4.258 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 ZINC000223725274 570481569 /nfs/dbraw/zinc/48/15/69/570481569.db2.gz DZCLPCIAZSCLGQ-CQSZACIVSA-N 0 0 393.314 4.089 40 0 GIABRN Cc1cccc(C(=O)N(Cc2cccnc2)Cc2cc3cccc(C)c3[nH]c2=O)c1 ZINC000000790243 570481668 /nfs/dbraw/zinc/48/16/68/570481668.db2.gz PGKKAUDRDDDQCC-UHFFFAOYSA-N 0 0 397.478 4.383 40 0 GIABRN 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]3CC[C@]12C ZINC000035942650 570482014 /nfs/dbraw/zinc/48/20/14/570482014.db2.gz LNQFXEKUXJUUMN-OLCLNGENSA-N 0 0 376.537 4.138 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 ZINC000223818085 570485871 /nfs/dbraw/zinc/48/58/71/570485871.db2.gz ZNDKTTGJZSWAQT-JOCHJYFZSA-N 0 0 398.522 4.400 40 0 GIABRN C[C@H](NC(=O)c1cc2c(ccc3ccccc23)o1)c1ccc(S(C)(=O)=O)cc1 ZINC000223849790 570487155 /nfs/dbraw/zinc/48/71/55/570487155.db2.gz KUTMDXOXGCFULU-AWEZNQCLSA-N 0 0 393.464 4.481 40 0 GIABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1 ZINC000223936302 570490856 /nfs/dbraw/zinc/49/08/56/570490856.db2.gz RMEOVNQUQOELQF-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN Cc1ccc(C(=O)NCC2=CCCCC2)cc1S(=O)(=O)Nc1ccccc1 ZINC000223937865 570490899 /nfs/dbraw/zinc/49/08/99/570490899.db2.gz VDQNKSAEKJPDSN-UHFFFAOYSA-N 0 0 384.501 4.026 40 0 GIABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000223937319 570491022 /nfs/dbraw/zinc/49/10/22/570491022.db2.gz DJDLJCCKLUYDQQ-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2)c1 ZINC000223932048 570491047 /nfs/dbraw/zinc/49/10/47/570491047.db2.gz HMZVYPAITMXRRZ-UHFFFAOYSA-N 0 0 394.496 4.068 40 0 GIABRN S=C(NCC1(c2ccccc2)CCCC1)Nc1ccc(N2CCCC2)nc1 ZINC000223973279 570492284 /nfs/dbraw/zinc/49/22/84/570492284.db2.gz CJBWKJFJFINTOK-UHFFFAOYSA-N 0 0 380.561 4.480 40 0 GIABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000224005300 570494017 /nfs/dbraw/zinc/49/40/17/570494017.db2.gz WCMNYSVGRCHAAZ-STZFKDTASA-N 0 0 390.439 4.315 40 0 GIABRN CCOC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1Cl ZINC000030752860 570494291 /nfs/dbraw/zinc/49/42/91/570494291.db2.gz JNUQSXFZTZWJLM-UHFFFAOYSA-N 0 0 381.881 4.243 40 0 GIABRN O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCCC2)c(Cl)cc1Cl ZINC000000854174 570495492 /nfs/dbraw/zinc/49/54/92/570495492.db2.gz AOYQZYXYJAAWSI-UHFFFAOYSA-N 0 0 399.299 4.030 40 0 GIABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSc1ccccc1 ZINC000224077621 570497189 /nfs/dbraw/zinc/49/71/89/570497189.db2.gz HBRIELWULBDZMD-IBGZPJMESA-N 0 0 398.572 4.358 40 0 GIABRN Cc1ccc(C(=O)NCC2=CCCCC2)cc1NS(=O)(=O)c1ccccc1 ZINC000224082671 570497607 /nfs/dbraw/zinc/49/76/07/570497607.db2.gz ODEMPVRBSIPODD-UHFFFAOYSA-N 0 0 384.501 4.026 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000224095757 570498374 /nfs/dbraw/zinc/49/83/74/570498374.db2.gz DKIXEHJTZUOGQQ-NRFANRHFSA-N 0 0 398.572 4.421 40 0 GIABRN CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000005002911 570498708 /nfs/dbraw/zinc/49/87/08/570498708.db2.gz RUCSLFLTORKMGM-OAQYLSRUSA-N 0 0 394.471 4.237 40 0 GIABRN COc1ccc(S[C@H](C)C(=O)NCCSCc2ccccc2)cc1OC ZINC000030855548 570498869 /nfs/dbraw/zinc/49/88/69/570498869.db2.gz VPERIZOHHVBIFS-OAHLLOKOSA-N 0 0 391.558 4.234 40 0 GIABRN Cc1cc(O[C@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)ccc1Cl ZINC000224110214 570499172 /nfs/dbraw/zinc/49/91/72/570499172.db2.gz ZPKYRESKNODWLX-QGZVFWFLSA-N 0 0 387.907 4.280 40 0 GIABRN CCOC(=O)c1cc(NS(=O)(=O)Cc2ccc(Cl)cc2)ccc1Cl ZINC000030866745 570499882 /nfs/dbraw/zinc/49/98/82/570499882.db2.gz OAIGGONFBJQJMK-UHFFFAOYSA-N 0 0 388.272 4.112 40 0 GIABRN C[C@H](CNC(=O)COc1ccc(Cl)cc1Br)c1ccccc1 ZINC000007031742 570500063 /nfs/dbraw/zinc/50/00/63/570500063.db2.gz PJVXFQMAPKZFCE-GFCCVEGCSA-N 0 0 382.685 4.401 40 0 GIABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000224140502 570500416 /nfs/dbraw/zinc/50/04/16/570500416.db2.gz NGTZGBBMKMYUCG-QGZVFWFLSA-N 0 0 399.472 4.018 40 0 GIABRN Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)c1 ZINC000224138557 570500493 /nfs/dbraw/zinc/50/04/93/570500493.db2.gz ZYGTYVYCSOMATC-UHFFFAOYSA-N 0 0 394.496 4.097 40 0 GIABRN COc1ccc(OCCCC(=O)NCCOc2ccc(C)c(Cl)c2)cc1 ZINC000224150499 570500762 /nfs/dbraw/zinc/50/07/62/570500762.db2.gz DXXBGMFKMMLQRQ-UHFFFAOYSA-N 0 0 377.868 4.011 40 0 GIABRN Cc1cccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224146467 570500874 /nfs/dbraw/zinc/50/08/74/570500874.db2.gz ATWSQFMVMBLPQA-FQEVSTJZSA-N 0 0 380.532 4.117 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1c1ccccc1 ZINC000224154117 570501118 /nfs/dbraw/zinc/50/11/18/570501118.db2.gz LGXCBCHJBVMOOO-VXKWHMMOSA-N 0 0 397.507 4.444 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccccn2)N1c1ccccc1 ZINC000224153952 570501176 /nfs/dbraw/zinc/50/11/76/570501176.db2.gz GEMMCZOCYCTSJE-YADHBBJMSA-N 0 0 397.507 4.444 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000224208310 570503716 /nfs/dbraw/zinc/50/37/16/570503716.db2.gz DGNIZEJSZIKZMJ-FQEVSTJZSA-N 0 0 386.923 4.134 40 0 GIABRN Cc1nc(NC(=O)CSc2nnc3c(C)cc4cc(C)ccc4n23)sc1C ZINC000000877121 570503809 /nfs/dbraw/zinc/50/38/09/570503809.db2.gz GPNFYWPVSKOZMQ-UHFFFAOYSA-N 0 0 397.529 4.303 40 0 GIABRN COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1Cl ZINC000224221635 570504135 /nfs/dbraw/zinc/50/41/35/570504135.db2.gz QJAQLJSVRYYQEJ-UHFFFAOYSA-N 0 0 384.819 4.124 40 0 GIABRN COc1ccc([C@H]2C[C@](C)(N3CCCC3)Oc3cc4c(cc32)OCO4)c(OC)c1 ZINC000031430380 570504362 /nfs/dbraw/zinc/50/43/62/570504362.db2.gz CBYNWEMJTGYPFZ-WZONZLPQSA-N 0 0 397.471 4.159 40 0 GIABRN CCC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000224224386 570504638 /nfs/dbraw/zinc/50/46/38/570504638.db2.gz YQSNIWFDKIWKAU-NRFANRHFSA-N 0 0 380.532 4.260 40 0 GIABRN C[C@H]1[C@@H](c2ccc3c(c2)OCO3)c2cc3c(cc2O[C@@H]1N1CCCCC1)OCO3 ZINC000031860807 570506571 /nfs/dbraw/zinc/50/65/71/570506571.db2.gz BZKPASBEIZXLFA-CVRXJBIPSA-N 0 0 395.455 4.116 40 0 GIABRN COc1ccc([C@@H]2c3cc4c(cc3O[C@H](N3CCCCC3)[C@@H]2C)OCO4)cc1 ZINC000031860889 570507190 /nfs/dbraw/zinc/50/71/90/570507190.db2.gz OFWNMZRXUNSPIH-IEKZBVHVSA-N 0 0 381.472 4.396 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)cc1C ZINC000224302867 570508400 /nfs/dbraw/zinc/50/84/00/570508400.db2.gz CDUNROUZDPMGKF-IBGZPJMESA-N 0 0 398.522 4.175 40 0 GIABRN CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3ccc(F)cc3)n21 ZINC000000882904 570508580 /nfs/dbraw/zinc/50/85/80/570508580.db2.gz CDKPZDCRXOEXDN-UHFFFAOYSA-N 0 0 382.464 4.106 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224313626 570508539 /nfs/dbraw/zinc/50/85/39/570508539.db2.gz AJMIJFYCYAYQIJ-CQSZACIVSA-N 0 0 394.924 4.002 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000224312055 570508778 /nfs/dbraw/zinc/50/87/78/570508778.db2.gz YICIEOMGIJHVNT-GOSISDBHSA-N 0 0 396.597 4.179 40 0 GIABRN CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3ccccc3F)n21 ZINC000000882903 570508856 /nfs/dbraw/zinc/50/88/56/570508856.db2.gz SCRAGAIEMWZUDB-UHFFFAOYSA-N 0 0 382.464 4.106 40 0 GIABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)cc1 ZINC000224330479 570509277 /nfs/dbraw/zinc/50/92/77/570509277.db2.gz JCSIJAXBTGFCNL-RTWAWAEBSA-N 0 0 376.529 4.468 40 0 GIABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)cc1 ZINC000224330422 570509444 /nfs/dbraw/zinc/50/94/44/570509444.db2.gz JCSIJAXBTGFCNL-SFTDATJTSA-N 0 0 376.529 4.468 40 0 GIABRN CCN(c1ccc(C(=O)Nc2ccccc2F)cc1)S(=O)(=O)c1ccccc1 ZINC000224357282 570510493 /nfs/dbraw/zinc/51/04/93/570510493.db2.gz FERNHQAKXPMULO-UHFFFAOYSA-N 0 0 398.459 4.293 40 0 GIABRN CC(C)Oc1cccc(CCCNC(=O)COc2ccc3c(c2)CCCC3)c1 ZINC000224400299 570512445 /nfs/dbraw/zinc/51/24/45/570512445.db2.gz PJNXVHVUBDUCPN-UHFFFAOYSA-N 0 0 381.516 4.480 40 0 GIABRN CCOCc1cc(C(=O)Nc2ccc(Br)cc2F)ccc1OC ZINC000224405865 570512500 /nfs/dbraw/zinc/51/25/00/570512500.db2.gz REXSLHGAMAFHNG-UHFFFAOYSA-N 0 0 382.229 4.386 40 0 GIABRN CC(C)(C)NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000000901504 570514338 /nfs/dbraw/zinc/51/43/38/570514338.db2.gz XOVFMRKANLDJSW-UHFFFAOYSA-N 0 0 375.441 4.231 40 0 GIABRN O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(Br)cc1 ZINC000007755707 570514551 /nfs/dbraw/zinc/51/45/51/570514551.db2.gz FMAVTZPWNIYAKK-UHFFFAOYSA-N 0 0 378.251 4.132 40 0 GIABRN Cc1cc2cc(C)c(SCC(=O)NCc3ccc4c(c3)OCO4)nc2cc1C ZINC000000902933 570514755 /nfs/dbraw/zinc/51/47/55/570514755.db2.gz IDKQDSSCRINPEO-UHFFFAOYSA-N 0 0 394.496 4.297 40 0 GIABRN CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccccc1Cl ZINC000224475949 570515150 /nfs/dbraw/zinc/51/51/50/570515150.db2.gz PRITXTIBCRDQRD-QGZVFWFLSA-N 0 0 389.879 4.227 40 0 GIABRN Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1 ZINC000224557888 570518360 /nfs/dbraw/zinc/51/83/60/570518360.db2.gz RDKPFKSWTBQWHA-UHFFFAOYSA-N 0 0 398.459 4.116 40 0 GIABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccccc2C)cc1 ZINC000224593089 570519683 /nfs/dbraw/zinc/51/96/83/570519683.db2.gz ZINYOPRKGICUHN-ZHZULCJRSA-N 0 0 376.412 4.006 40 0 GIABRN CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1 ZINC000224593413 570519816 /nfs/dbraw/zinc/51/98/16/570519816.db2.gz AODLFDYTFUIXRH-PMACEKPBSA-N 0 0 378.501 4.347 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1F ZINC000224592964 570519854 /nfs/dbraw/zinc/51/98/54/570519854.db2.gz HVMGHNZMSLPMDH-QFIPXVFZSA-N 0 0 398.522 4.256 40 0 GIABRN CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000224596245 570519909 /nfs/dbraw/zinc/51/99/09/570519909.db2.gz IAQLLJBQBPQVPM-UHFFFAOYSA-N 0 0 397.496 4.489 40 0 GIABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 ZINC000224605810 570520380 /nfs/dbraw/zinc/52/03/80/570520380.db2.gz WYMXFVSXIBKOPD-DLBZAZTESA-N 0 0 394.515 4.500 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 ZINC000224623455 570520856 /nfs/dbraw/zinc/52/08/56/570520856.db2.gz AJVMOWHZHIZBKC-QHCPKHFHSA-N 0 0 394.559 4.426 40 0 GIABRN COc1ccc2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc2c1 ZINC000224662304 570523026 /nfs/dbraw/zinc/52/30/26/570523026.db2.gz DPQANKCGEXABQY-UHFFFAOYSA-N 0 0 392.274 4.412 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224670940 570523452 /nfs/dbraw/zinc/52/34/52/570523452.db2.gz VJDVFDKGHAEEDY-HXUWFJFHSA-N 0 0 392.543 4.404 40 0 GIABRN CCOc1ccc(C(=O)N2CCN(CC)CC2)cc1CSc1ccc(C)cc1 ZINC000224667321 570523696 /nfs/dbraw/zinc/52/36/96/570523696.db2.gz DAGXPOGHVUZMNC-UHFFFAOYSA-N 0 0 398.572 4.464 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000224705316 570526071 /nfs/dbraw/zinc/52/60/71/570526071.db2.gz LPPZKJCGNYMQPF-FQEVSTJZSA-N 0 0 392.543 4.404 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 ZINC000224705193 570526081 /nfs/dbraw/zinc/52/60/81/570526081.db2.gz HIELNYSTBOBYJN-SFHVURJKSA-N 0 0 384.545 4.031 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(CC)cc1 ZINC000224734841 570527857 /nfs/dbraw/zinc/52/78/57/570527857.db2.gz JLCLMZZMILKGSH-FQEVSTJZSA-N 0 0 394.559 4.434 40 0 GIABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000224753248 570528974 /nfs/dbraw/zinc/52/89/74/570528974.db2.gz NWNQCUMQPPLRCB-ACJLOTCBSA-N 0 0 377.868 4.392 40 0 GIABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000224772522 570530005 /nfs/dbraw/zinc/53/00/05/570530005.db2.gz SKDMCZPWHPJQPD-CQSZACIVSA-N 0 0 397.500 4.103 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 ZINC000224763531 570530046 /nfs/dbraw/zinc/53/00/46/570530046.db2.gz PZLSRERJPVDOMF-HXUWFJFHSA-N 0 0 380.532 4.180 40 0 GIABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccs2)c(OC)c1 ZINC000224794279 570531215 /nfs/dbraw/zinc/53/12/15/570531215.db2.gz AGQXHOYTMRJDOV-OALUTQOASA-N 0 0 397.525 4.337 40 0 GIABRN O=C(Nc1cccc(O)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000000919489 570534838 /nfs/dbraw/zinc/53/48/38/570534838.db2.gz CIKINHUFTACVTF-WFASDCNBSA-N 0 0 392.337 4.094 40 0 GIABRN O=C(NC1C2CC3CC(C2)CC1C3)c1cc(C=Cc2ccccc2)[nH]c(=S)n1 ZINC000008655915 570536563 /nfs/dbraw/zinc/53/65/63/570536563.db2.gz NMSGLEGFZYMZBB-SREVYHEPSA-N 0 0 391.540 4.490 40 0 GIABRN CC(C)c1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2C)cc1 ZINC000006346606 570537972 /nfs/dbraw/zinc/53/79/72/570537972.db2.gz YAZPLIHEFSVSMR-UHFFFAOYSA-N 0 0 396.516 4.248 40 0 GIABRN Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(F)cc1)OCCO3 ZINC000000928312 570538759 /nfs/dbraw/zinc/53/87/59/570538759.db2.gz JDPCDTOPTGZJTJ-UHFFFAOYSA-N 0 0 384.432 4.184 40 0 GIABRN CCCC[C@H](CC)CNC(=O)CS(=O)(=O)Cc1cccc2ccccc21 ZINC000224952244 570539672 /nfs/dbraw/zinc/53/96/72/570539672.db2.gz MHFZAUXKPVPSLC-KRWDZBQOSA-N 0 0 375.534 4.087 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000224963005 570540026 /nfs/dbraw/zinc/54/00/26/570540026.db2.gz OVUMDUYHOLFNER-OAQYLSRUSA-N 0 0 397.515 4.399 40 0 GIABRN Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)N3CCC(C)CC3)n12 ZINC000000929768 570540257 /nfs/dbraw/zinc/54/02/57/570540257.db2.gz HEGDZYVKTAKRDE-UHFFFAOYSA-N 0 0 382.533 4.158 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1 ZINC000224975052 570540794 /nfs/dbraw/zinc/54/07/94/570540794.db2.gz DNGSUGITSKBGQL-RBUKOAKNSA-N 0 0 398.572 4.252 40 0 GIABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1Cl ZINC000224973114 570540944 /nfs/dbraw/zinc/54/09/44/570540944.db2.gz PPGQAYSRNGIUHM-MOPGFXCFSA-N 0 0 398.919 4.259 40 0 GIABRN COc1cc(NC(=O)c2ccccc2C)c(OC)cc1NC(=O)c1ccco1 ZINC000000933346 570542954 /nfs/dbraw/zinc/54/29/54/570542954.db2.gz OXYIAAFRKJOBGE-UHFFFAOYSA-N 0 0 380.400 4.110 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccccn2)N1C1CCCC1 ZINC000225006235 570543109 /nfs/dbraw/zinc/54/31/09/570543109.db2.gz JXBHSEQEDBMVTN-LEWJYISDSA-N 0 0 389.528 4.182 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2ccco2)N1C1CCCC1 ZINC000225011633 570543500 /nfs/dbraw/zinc/54/35/00/570543500.db2.gz JAMKMDWLNCUIBI-SFTDATJTSA-N 0 0 392.528 4.440 40 0 GIABRN Cc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)c(I)c1 ZINC000225022478 570544068 /nfs/dbraw/zinc/54/40/68/570544068.db2.gz HAPBDAWOHFAFNL-AWEZNQCLSA-N 0 0 393.268 4.351 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSc1ccccc1 ZINC000225013667 570543803 /nfs/dbraw/zinc/54/38/03/570543803.db2.gz CEHAJNSEIKTKOP-RTBURBONSA-N 0 0 398.572 4.419 40 0 GIABRN Cc1ccc(C(=O)NC(C)(C)Cc2ccccc2)c(I)c1 ZINC000225034632 570544627 /nfs/dbraw/zinc/54/46/27/570544627.db2.gz UGMWORPNGAXDHW-UHFFFAOYSA-N 0 0 393.268 4.351 40 0 GIABRN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc2c(c1)sc(=O)n2C ZINC000225048120 570545393 /nfs/dbraw/zinc/54/53/93/570545393.db2.gz HLYJTRDQNUHUJK-ZDUSSCGKSA-N 0 0 378.453 4.159 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1 ZINC000225049158 570545404 /nfs/dbraw/zinc/54/54/04/570545404.db2.gz RMYPTRCGCLQEBB-PMACEKPBSA-N 0 0 396.531 4.014 40 0 GIABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C ZINC000225047995 570545438 /nfs/dbraw/zinc/54/54/38/570545438.db2.gz QHELBFSAWDZOTL-CYBMUJFWSA-N 0 0 378.453 4.159 40 0 GIABRN CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccccc2O)o1 ZINC000000976163 570545564 /nfs/dbraw/zinc/54/55/64/570545564.db2.gz BPZQHDUXLUWDQR-UHFFFAOYSA-N 0 0 383.473 4.298 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225092742 570548350 /nfs/dbraw/zinc/54/83/50/570548350.db2.gz GRCPLLBFFLKIRV-LEWJYISDSA-N 0 0 394.559 4.486 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cccc(C)c1C ZINC000225101171 570548774 /nfs/dbraw/zinc/54/87/74/570548774.db2.gz HXNIGTMCXTUQEK-OAQYLSRUSA-N 0 0 396.531 4.016 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225102409 570548867 /nfs/dbraw/zinc/54/88/67/570548867.db2.gz HVYABPLSVDDGJI-QFIPXVFZSA-N 0 0 380.532 4.180 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1C ZINC000225102690 570548971 /nfs/dbraw/zinc/54/89/71/570548971.db2.gz MIGJCODVKZYYCQ-NRFANRHFSA-N 0 0 396.531 4.016 40 0 GIABRN CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225101750 570548977 /nfs/dbraw/zinc/54/89/77/570548977.db2.gz INGDOZOQTSLBHV-UHFFFAOYSA-N 0 0 377.359 4.068 40 0 GIABRN O=C(NCCc1ccc(F)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000225129303 570551131 /nfs/dbraw/zinc/55/11/31/570551131.db2.gz AMVZZLRVAXHSEX-HKWRFOASSA-N 0 0 394.471 4.017 40 0 GIABRN CC(=O)c1ccc(NC(=O)CSc2n[nH]c(-c3ccccc3Cl)n2)cc1 ZINC000009198264 570552148 /nfs/dbraw/zinc/55/21/48/570552148.db2.gz QPCUUKJIMCKEJZ-UHFFFAOYSA-N 0 0 386.864 4.059 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 ZINC000225163180 570552615 /nfs/dbraw/zinc/55/26/15/570552615.db2.gz XAQGYVXHZAQOCZ-JOCHJYFZSA-N 0 0 380.532 4.180 40 0 GIABRN CCc1nc2sc([C@@H](c3ccc(F)cc3)[NH+]3C[C@@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000036104827 570554559 /nfs/dbraw/zinc/55/45/59/570554559.db2.gz LDJNMJUIQVWPEF-GDZNZVCISA-N 0 0 388.512 4.265 40 0 GIABRN CCc1nc2sc([C@@H](c3ccc(C)cc3)[NH+]3C[C@@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000036104847 570554576 /nfs/dbraw/zinc/55/45/76/570554576.db2.gz AHCGVMQAMMKOBS-RLFYNMQTSA-N 0 0 384.549 4.435 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C)cc1 ZINC000225188226 570554799 /nfs/dbraw/zinc/55/47/99/570554799.db2.gz SKYZKAIQWLACEG-LJQANCHMSA-N 0 0 398.522 4.400 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225247160 570558882 /nfs/dbraw/zinc/55/88/82/570558882.db2.gz OLQNARZWBJLGCX-RBUKOAKNSA-N 0 0 398.522 4.317 40 0 GIABRN Cc1nc(C(=O)N2CCS/C2=C\c2csc(NCc3ccccc3)n2)co1 ZINC000225256290 570559686 /nfs/dbraw/zinc/55/96/86/570559686.db2.gz PASAUONAYDBKKR-RQZCQDPDSA-N 0 0 398.513 4.239 40 0 GIABRN O=C(Cc1ccccc1)N1CCS/C1=C\c1csc(-c2cccnc2)n1 ZINC000225262658 570560020 /nfs/dbraw/zinc/56/00/20/570560020.db2.gz AMVZYJVYAJLXPA-XDHOZWIPSA-N 0 0 379.510 4.322 40 0 GIABRN COc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000225265570 570560059 /nfs/dbraw/zinc/56/00/59/570560059.db2.gz CWDFYASVUKQZSU-GFCCVEGCSA-N 0 0 380.897 4.111 40 0 GIABRN COc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(Br)cc2)cc1 ZINC000225264410 570560187 /nfs/dbraw/zinc/56/01/87/570560187.db2.gz AABPWFNIPSZDPV-GFCCVEGCSA-N 0 0 395.322 4.212 40 0 GIABRN COc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(OC)c3ncccc23)cc1 ZINC000225269315 570560591 /nfs/dbraw/zinc/56/05/91/570560591.db2.gz QNTNXRIQYUWDMR-CQSZACIVSA-N 0 0 397.500 4.006 40 0 GIABRN Cc1cc(C)n(Cc2ccc(C(=O)NCCSCc3ccccc3)cc2)n1 ZINC000225286285 570561755 /nfs/dbraw/zinc/56/17/55/570561755.db2.gz DPXHCEWKNVVVEQ-UHFFFAOYSA-N 0 0 379.529 4.211 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)NCCSCc2ccccc2)c1 ZINC000225290686 570561918 /nfs/dbraw/zinc/56/19/18/570561918.db2.gz AUXDTRRFZNUOPE-UHFFFAOYSA-N 0 0 394.949 4.346 40 0 GIABRN Cc1cc(NC(=S)NCCSCc2ccccc2)ccc1N1CCCC1=O ZINC000225291425 570562168 /nfs/dbraw/zinc/56/21/68/570562168.db2.gz NFTFTTMNKDXNSV-UHFFFAOYSA-N 0 0 399.585 4.342 40 0 GIABRN CCCSc1nnc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)s1 ZINC000225295617 570562672 /nfs/dbraw/zinc/56/26/72/570562672.db2.gz MZRSKVXVXYHEIR-UHFFFAOYSA-N 0 0 387.534 4.154 40 0 GIABRN CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)c1ccco1 ZINC000001223629 570565016 /nfs/dbraw/zinc/56/50/16/570565016.db2.gz HYHRHXHAIKEGSI-UHFFFAOYSA-N 0 0 384.388 4.175 40 0 GIABRN CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1 ZINC000225335570 570565281 /nfs/dbraw/zinc/56/52/81/570565281.db2.gz PCQXZUBZIOPRKK-WOJBJXKFSA-N 0 0 378.501 4.374 40 0 GIABRN O=C(CCc1c(Cl)cccc1Cl)N1CCN(Cc2ccccc2)CC1 ZINC000225348333 570566333 /nfs/dbraw/zinc/56/63/33/570566333.db2.gz WFIDAORXNGEZFQ-UHFFFAOYSA-N 0 0 377.315 4.270 40 0 GIABRN CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C)cc1 ZINC000225349668 570566503 /nfs/dbraw/zinc/56/65/03/570566503.db2.gz POJQAWDORWZEQK-NHCUHLMSSA-N 0 0 392.528 4.384 40 0 GIABRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1C(C)C ZINC000225356617 570566746 /nfs/dbraw/zinc/56/67/46/570566746.db2.gz YJGBRDYCOGRXSR-KRWDZBQOSA-N 0 0 375.534 4.427 40 0 GIABRN COc1cc(CNC(=O)CCc2c(Cl)cccc2Cl)cc(OC)c1OC ZINC000225359539 570567177 /nfs/dbraw/zinc/56/71/77/570567177.db2.gz BLURFIQGHDDCIP-UHFFFAOYSA-N 0 0 398.286 4.268 40 0 GIABRN COC(=O)c1cccc(NC(=S)NCCSCc2ccccc2C)c1C ZINC000225361465 570567334 /nfs/dbraw/zinc/56/73/34/570567334.db2.gz MANJMJSCDHYOCO-UHFFFAOYSA-N 0 0 388.558 4.310 40 0 GIABRN COc1ccccc1NC(=O)CSc1ncccc1-c1nc2ccccc2[nH]1 ZINC000001329193 570567463 /nfs/dbraw/zinc/56/74/63/570567463.db2.gz QDUPJUUNRSSSRQ-UHFFFAOYSA-N 0 0 390.468 4.364 40 0 GIABRN CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)ccc21 ZINC000225379387 570568493 /nfs/dbraw/zinc/56/84/93/570568493.db2.gz SQRNFPKLPQYXFJ-UHFFFAOYSA-N 0 0 399.299 4.093 40 0 GIABRN Cc1ccc(-c2noc(=O)n2CC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000001332583 570569334 /nfs/dbraw/zinc/56/93/34/570569334.db2.gz LQWTXNVWAHKYSQ-UHFFFAOYSA-N 0 0 385.423 4.117 40 0 GIABRN CC[C@H](C(=O)Nc1nnc(Cc2c[nH]c3ccccc23)s1)n1nc(C)cc1C ZINC000036752593 570569869 /nfs/dbraw/zinc/56/98/69/570569869.db2.gz TVUVHIUHWUHSRN-QGZVFWFLSA-N 0 0 394.504 4.013 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)NCc2ccc(OCC)cc2)cc1Cl ZINC000225431768 570573218 /nfs/dbraw/zinc/57/32/18/570573218.db2.gz RIJNKKOQOXRHAT-UHFFFAOYSA-N 0 0 392.908 4.402 40 0 GIABRN CCCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1cccnc1 ZINC000001361246 570576088 /nfs/dbraw/zinc/57/60/88/570576088.db2.gz BSZYHTUJTZSRFQ-UHFFFAOYSA-N 0 0 381.505 4.098 40 0 GIABRN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=S)Nc1ccc(Cl)cc1 ZINC000225465252 570577240 /nfs/dbraw/zinc/57/72/40/570577240.db2.gz LNTIOXGGAYPOJN-HNNXBMFYSA-N 0 0 389.908 4.058 40 0 GIABRN CC[C@@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccc(OC)cc1 ZINC000225489698 570579534 /nfs/dbraw/zinc/57/95/34/570579534.db2.gz OZAOCGAZXWPHDL-LJQANCHMSA-N 0 0 383.517 4.260 40 0 GIABRN CCC(=O)N(Cc1cc2cc(C)ccc2n2nnnc12)Cc1ccccc1Cl ZINC000001367209 570580028 /nfs/dbraw/zinc/58/00/28/570580028.db2.gz FKGJBSXQBVVVGO-UHFFFAOYSA-N 0 0 393.878 4.178 40 0 GIABRN CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NC3CC3)c2c1 ZINC000001367723 570580098 /nfs/dbraw/zinc/58/00/98/570580098.db2.gz CAEJECXMOXIWJE-UHFFFAOYSA-N 0 0 381.476 4.369 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1cccc(OC)c1 ZINC000225495087 570580158 /nfs/dbraw/zinc/58/01/58/570580158.db2.gz AQTLUQOWEGFSDV-HSZRJFAPSA-N 0 0 381.516 4.480 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1cccc(OC)c1 ZINC000225495119 570580176 /nfs/dbraw/zinc/58/01/76/570580176.db2.gz AQTLUQOWEGFSDV-QHCPKHFHSA-N 0 0 381.516 4.480 40 0 GIABRN Cc1cccc(CN(C(=O)CCSc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225497759 570580644 /nfs/dbraw/zinc/58/06/44/570580644.db2.gz IJLXEJSRPAKOGY-IBGZPJMESA-N 0 0 398.572 4.419 40 0 GIABRN Cc1cccc(CN(C(=O)CSCc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225497178 570580674 /nfs/dbraw/zinc/58/06/74/570580674.db2.gz HGSOYGFJSGYLNR-IBGZPJMESA-N 0 0 398.572 4.170 40 0 GIABRN COc1ccc([C@H](C)NC(=O)CSCc2ccc(Cl)cc2)cc1OC ZINC000038772985 570583676 /nfs/dbraw/zinc/58/36/76/570583676.db2.gz CYYCOLXBACEOCQ-ZDUSSCGKSA-N 0 0 379.909 4.468 40 0 GIABRN COc1ccc(CNC(=O)[C@@H](OC(=O)c2ccco2)c2ccc(Cl)cc2)cc1 ZINC000001381076 570583634 /nfs/dbraw/zinc/58/36/34/570583634.db2.gz CAIYECXGLYYWAO-IBGZPJMESA-N 0 0 399.830 4.156 40 0 GIABRN CC(C)C[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC1CCCC1 ZINC000001381315 570583974 /nfs/dbraw/zinc/58/39/74/570583974.db2.gz JIRNKQDCUAOVBF-SNVBAGLBSA-N 0 0 379.309 4.080 40 0 GIABRN O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)NC1CCCC1 ZINC000001381399 570584292 /nfs/dbraw/zinc/58/42/92/570584292.db2.gz CRRNTTASCLBWOL-UHFFFAOYSA-N 0 0 383.492 4.375 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)NCCCc2ccccc2OC)c1 ZINC000225550776 570586999 /nfs/dbraw/zinc/58/69/99/570586999.db2.gz CLSMRLAYJNHYJL-UHFFFAOYSA-N 0 0 392.908 4.054 40 0 GIABRN COc1cc(C)c(S(=O)(=O)N[C@H](C)CC(C)(C)c2ccccc2)cc1C ZINC000225556440 570587970 /nfs/dbraw/zinc/58/79/70/570587970.db2.gz RTXFUKVDGOHINO-QGZVFWFLSA-N 0 0 375.534 4.347 40 0 GIABRN COc1cccnc1NC(=S)NCCCSCc1ccccc1Cl ZINC000225608454 570593225 /nfs/dbraw/zinc/59/32/25/570593225.db2.gz XVVCMWZCCLAVAE-UHFFFAOYSA-N 0 0 381.954 4.354 40 0 GIABRN O=C(Cn1ccc(=O)c2cc(Cl)ccc21)Nc1cccc(C(F)(F)F)c1 ZINC000039963292 570594071 /nfs/dbraw/zinc/59/40/71/570594071.db2.gz XYWBZOJVFZPBJF-UHFFFAOYSA-N 0 0 380.753 4.312 40 0 GIABRN CCC(=O)N1CCc2cc(S(=O)(=O)Nc3c(C)cccc3C(C)C)ccc21 ZINC000225621146 570595128 /nfs/dbraw/zinc/59/51/28/570595128.db2.gz PWZVRBHAYKUPCS-UHFFFAOYSA-N 0 0 386.517 4.218 40 0 GIABRN CCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1Cl)C2=O ZINC000003195464 570596091 /nfs/dbraw/zinc/59/60/91/570596091.db2.gz ZJTMZICYQXXWJX-UHFFFAOYSA-N 0 0 378.211 4.361 40 0 GIABRN COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1(C)c3ccccc3C2c2ccccc21 ZINC000003190447 570596143 /nfs/dbraw/zinc/59/61/43/570596143.db2.gz AIRPQIWHBMIGBH-FGEXJBCWSA-N 0 0 395.458 4.266 40 0 GIABRN Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 ZINC000225643196 570597673 /nfs/dbraw/zinc/59/76/73/570597673.db2.gz LTELCAZONIEMQS-QGZVFWFLSA-N 0 0 397.544 4.184 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000225644928 570597845 /nfs/dbraw/zinc/59/78/45/570597845.db2.gz CCSLPHGYWRQOPE-GCJKJVERSA-N 0 0 398.522 4.480 40 0 GIABRN Cc1ccc(C=Cc2ccnc3nc(N4CCc5ccccc54)[nH]c(=O)c23)cc1 ZINC000040388567 570599678 /nfs/dbraw/zinc/59/96/78/570599678.db2.gz BYHUYVRJXMHPSW-ZHACJKMWSA-N 0 0 380.451 4.491 40 0 GIABRN Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc3c(c1)OCCO3)CC(C)(C)O2 ZINC000225674258 570601526 /nfs/dbraw/zinc/60/15/26/570601526.db2.gz LKHNFZBFNLFQQX-INIZCTEOSA-N 0 0 384.501 4.355 40 0 GIABRN C[C@@H]1CCC[C@H](n2ccc3nc4ncnn4c(-c4ccc(F)cc4)c3c2=O)[C@@H]1C ZINC000040398304 570601935 /nfs/dbraw/zinc/60/19/35/570601935.db2.gz AFQMUSZSSYRGRH-LBTNJELSSA-N 0 0 391.450 4.243 40 0 GIABRN CCn1c2ccc(S(=O)(=O)Nc3c(C)cccc3C(C)C)cc2sc1=O ZINC000225691284 570603691 /nfs/dbraw/zinc/60/36/91/570603691.db2.gz LKDLATMHWXHNBE-UHFFFAOYSA-N 0 0 390.530 4.316 40 0 GIABRN Cc1cc(C(=O)N[C@@H](C)c2nc3cc(-c4ccccc4F)ncn3n2)sc1C ZINC000012085143 570606254 /nfs/dbraw/zinc/60/62/54/570606254.db2.gz JSDUWVQMWDAFSV-LBPRGKRZSA-N 0 0 395.463 4.100 40 0 GIABRN CC(C)n1c(CN2CCC[C@@H](n3c4ccccc4oc3=O)C2)nc2ccccc21 ZINC000012087607 570606573 /nfs/dbraw/zinc/60/65/73/570606573.db2.gz WFHRYROGZPZSAM-QGZVFWFLSA-N 0 0 390.487 4.362 40 0 GIABRN Cc1cc(-c2cnc(NCc3ccccc3-n3ccnc3)nc2-c2ccco2)on1 ZINC000012087617 570606593 /nfs/dbraw/zinc/60/65/93/570606593.db2.gz BQOIKQBTTOXQFH-UHFFFAOYSA-N 0 0 398.426 4.498 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1C ZINC000225718871 570608358 /nfs/dbraw/zinc/60/83/58/570608358.db2.gz QTHZFGMYGMVBGL-OAQYLSRUSA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1cccc(C)c1C ZINC000225718780 570608481 /nfs/dbraw/zinc/60/84/81/570608481.db2.gz OEDIZFGKYBAVLH-NRFANRHFSA-N 0 0 396.531 4.014 40 0 GIABRN C[C@H](NC(=O)Cn1ccc(=O)c2cc(Cl)ccc21)c1ccc(Cl)cc1 ZINC000225725714 570609378 /nfs/dbraw/zinc/60/93/78/570609378.db2.gz SVICHFGACQBRFD-LBPRGKRZSA-N 0 0 375.255 4.186 40 0 GIABRN COc1cccc(CC(=O)N[C@@H](CC(C)C)c2nc3cccnc3n2C(C)C)c1 ZINC000012114112 570609621 /nfs/dbraw/zinc/60/96/21/570609621.db2.gz UFCCGXBTDUFBDY-FQEVSTJZSA-N 0 0 394.519 4.467 40 0 GIABRN CCc1nc2cc(NC(=O)c3nc(-c4ccc(F)cc4)oc3C)ccc2n1C ZINC000012116907 570611412 /nfs/dbraw/zinc/61/14/12/570611412.db2.gz UGBRVJVNYLYHRC-UHFFFAOYSA-N 0 0 378.407 4.491 40 0 GIABRN O=C(Cc1cccc(F)c1)N1CCC(C(=O)c2nc3ccccc3s2)CC1 ZINC000012132147 570613670 /nfs/dbraw/zinc/61/36/70/570613670.db2.gz MGZJXIPLGKEHOO-UHFFFAOYSA-N 0 0 382.460 4.099 40 0 GIABRN O=C(Nc1ccc(Br)cc1F)c1snnc1-c1ccc(F)cc1 ZINC000225779918 570616844 /nfs/dbraw/zinc/61/68/44/570616844.db2.gz ROGPRZFEOJGANU-UHFFFAOYSA-N 0 0 396.216 4.498 40 0 GIABRN C[C@H](COc1ccccc1)NC(=S)Nc1ccc(Br)cc1F ZINC000225783173 570617269 /nfs/dbraw/zinc/61/72/69/570617269.db2.gz MWIQHOZJRZKSFG-LLVKDONJSA-N 0 0 383.286 4.342 40 0 GIABRN Cc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)C4CCCCC4)CC3)cc2n1 ZINC000012160540 570619001 /nfs/dbraw/zinc/61/90/01/570619001.db2.gz WSGHJEBHWUMKKK-UHFFFAOYSA-N 0 0 394.441 4.343 40 0 GIABRN Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc(F)c(Cl)c3)cc12 ZINC000012186412 570620859 /nfs/dbraw/zinc/62/08/59/570620859.db2.gz NDWBVMPNWCGWBJ-UHFFFAOYSA-N 0 0 382.826 4.427 40 0 GIABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000225827166 570622145 /nfs/dbraw/zinc/62/21/45/570622145.db2.gz BFHLYZGWBLQHMR-ZDUSSCGKSA-N 0 0 383.473 4.182 40 0 GIABRN CCOc1ccc(NC(=S)NCc2nc(-c3ccc(OCC)cc3)no2)cc1 ZINC000225829955 570623042 /nfs/dbraw/zinc/62/30/42/570623042.db2.gz AGUATWACLUOWEC-UHFFFAOYSA-N 0 0 398.488 4.021 40 0 GIABRN COc1cccc(C2(NC(=O)c3ccc(Cn4cccn4)cc3)CCCC2)c1 ZINC000012197529 570623439 /nfs/dbraw/zinc/62/34/39/570623439.db2.gz RBQGBUGBHMWBCI-UHFFFAOYSA-N 0 0 375.472 4.139 40 0 GIABRN COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1CC(=O)Nc1ccccc1 ZINC000004302144 570624944 /nfs/dbraw/zinc/62/49/44/570624944.db2.gz FUOOFZYISRPLNL-OYDLWJJNSA-N 0 0 394.515 4.002 40 0 GIABRN CCOc1cc2c(cc1OCC)[C@@H](C)N(C(=O)c1cnc(C(C)(C)C)nc1)CC2 ZINC000012205648 570625856 /nfs/dbraw/zinc/62/58/56/570625856.db2.gz MNEJVYUWPMJPOB-OAHLLOKOSA-N 0 0 397.519 4.331 40 0 GIABRN CCCOC1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OC)c2)CCCC1 ZINC000225849589 570626200 /nfs/dbraw/zinc/62/62/00/570626200.db2.gz KQXWZCDQOMZGPP-UHFFFAOYSA-N 0 0 377.481 4.186 40 0 GIABRN Cc1nc2sccn2c1CN(CCCn1ccnc1)Cc1ccccc1F ZINC000043277849 570627151 /nfs/dbraw/zinc/62/71/51/570627151.db2.gz JDDLNCXYDVHGHK-UHFFFAOYSA-N 0 0 383.496 4.132 40 0 GIABRN CC(C)C(=O)N1CCC[C@H](c2cc(C(F)(F)F)n3nc(C(C)(C)C)cc3n2)C1 ZINC000012220017 570627544 /nfs/dbraw/zinc/62/75/44/570627544.db2.gz KIKKWPHQUKBFOH-ZDUSSCGKSA-N 0 0 396.457 4.408 40 0 GIABRN Cc1occc1-c1nnc(SCC(=O)c2ccccc2)n1C[C@H]1CCCO1 ZINC000004400840 570628859 /nfs/dbraw/zinc/62/88/59/570628859.db2.gz ICPVHCQXJHIDQW-MRXNPFEDSA-N 0 0 383.473 4.001 40 0 GIABRN CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c(C)n1 ZINC000225875652 570629376 /nfs/dbraw/zinc/62/93/76/570629376.db2.gz SQRHJRQUUURPFU-UHFFFAOYSA-N 0 0 386.467 4.395 40 0 GIABRN CCCc1ccc(C(=O)N2CCC[C@@H](c3nnsc3-c3cc(C)no3)C2)o1 ZINC000012242156 570630439 /nfs/dbraw/zinc/63/04/39/570630439.db2.gz KQRUPVITVGDPSO-CYBMUJFWSA-N 0 0 386.477 4.067 40 0 GIABRN CC(C)CNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCC(C)CC2)n1 ZINC000225891889 570631265 /nfs/dbraw/zinc/63/12/65/570631265.db2.gz HXXCUIAGMHOUMW-UHFFFAOYSA-N 0 0 399.564 4.448 40 0 GIABRN CC(C)(C)NC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCCC2)n1 ZINC000225894523 570631306 /nfs/dbraw/zinc/63/13/06/570631306.db2.gz WVLONPYZDDHHBP-UHFFFAOYSA-N 0 0 385.537 4.344 40 0 GIABRN CCc1nc2sc3c(c2c(NCCNC(=O)c2cccs2)n1)CCCC3 ZINC000004848591 570634846 /nfs/dbraw/zinc/63/48/46/570634846.db2.gz YEFOIVZEQCDIDN-UHFFFAOYSA-N 0 0 386.546 4.036 40 0 GIABRN CCCOc1ccccc1CCCNC(=O)c1ccc(Cn2ccnc2C)cc1 ZINC000044851649 570635957 /nfs/dbraw/zinc/63/59/57/570635957.db2.gz UIAGOKXZPWFODT-UHFFFAOYSA-N 0 0 391.515 4.391 40 0 GIABRN Cc1cc(N2C[C@H](C)C[C@H](C)C2)nc(NC(=S)NCCCc2ccccc2)n1 ZINC000225966314 570637325 /nfs/dbraw/zinc/63/73/25/570637325.db2.gz CRIONQFZWDHJGO-CALCHBBNSA-N 0 0 397.592 4.187 40 0 GIABRN Cc1ccc(Br)cc1S(=O)(=O)Oc1cccc2cccnc21 ZINC000004851772 570637864 /nfs/dbraw/zinc/63/78/64/570637864.db2.gz UBOCLTHJPBLAHX-UHFFFAOYSA-N 0 0 378.247 4.073 40 0 GIABRN O=C(NCCc1ccccc1)[C@H](OC(=O)c1cccs1)c1ccc(F)cc1 ZINC000004901771 570638429 /nfs/dbraw/zinc/63/84/29/570638429.db2.gz XEOFXLYZEPUCMH-LJQANCHMSA-N 0 0 383.444 4.144 40 0 GIABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)C2CCCC2)ccc1C ZINC000044883913 570638646 /nfs/dbraw/zinc/63/86/46/570638646.db2.gz YXTHJYWWLYRSTR-UHFFFAOYSA-N 0 0 386.517 4.119 40 0 GIABRN CCc1ccc(NC(=S)N2CCC(NC(=O)c3cccc(C)c3)CC2)cc1 ZINC000004857587 570638847 /nfs/dbraw/zinc/63/88/47/570638847.db2.gz QEHYUUQFMXBVMG-UHFFFAOYSA-N 0 0 381.545 4.149 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)c2cc3cc(C)ccc3oc2=O)cc1 ZINC000226037688 570639600 /nfs/dbraw/zinc/63/96/00/570639600.db2.gz HIYWDKGGBORQEO-UHFFFAOYSA-N 0 0 379.412 4.311 40 0 GIABRN Cc1occc1-c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1C ZINC000004860657 570640643 /nfs/dbraw/zinc/64/06/43/570640643.db2.gz VEGHBJMYTHGHTB-UHFFFAOYSA-N 0 0 396.394 4.133 40 0 GIABRN CCCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1cccnc1 ZINC000004860996 570640998 /nfs/dbraw/zinc/64/09/98/570640998.db2.gz HOJTWDVWZHOJJJ-UHFFFAOYSA-N 0 0 381.505 4.043 40 0 GIABRN CC(C)c1nc(Cc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)no1 ZINC000226097148 570641667 /nfs/dbraw/zinc/64/16/67/570641667.db2.gz ZLHVHNCYGFTALH-UHFFFAOYSA-N 0 0 385.851 4.455 40 0 GIABRN Cc1nccn1Cc1ccc(C(=O)NCCSCc2ccccc2F)cc1 ZINC000044909143 570642513 /nfs/dbraw/zinc/64/25/13/570642513.db2.gz ASDSAYDPEXTLEZ-UHFFFAOYSA-N 0 0 383.492 4.042 40 0 GIABRN Cc1cccc(C(=O)NC2CCN(C(=S)Nc3ccc(Cl)cc3)CC2)c1 ZINC000004888645 570643515 /nfs/dbraw/zinc/64/35/15/570643515.db2.gz SOFHVUPSXMCHSC-UHFFFAOYSA-N 0 0 387.936 4.240 40 0 GIABRN Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)c1 ZINC000059227353 570652134 /nfs/dbraw/zinc/65/21/34/570652134.db2.gz BIOKCJWBCDAYNT-AWEZNQCLSA-N 0 0 376.378 4.314 40 0 GIABRN Cc1cc2nc([C@@H]3CCCN(C(=S)NCc4ccccc4)C3)[nH]c2cc1C ZINC000004967246 570654114 /nfs/dbraw/zinc/65/41/14/570654114.db2.gz PQUIJMQFUVOZAY-GOSISDBHSA-N 0 0 378.545 4.434 40 0 GIABRN Cc1cccc(COc2ccccc2/C=c2\sc3nc4ccccc4n3c2=O)c1 ZINC000059316159 570654983 /nfs/dbraw/zinc/65/49/83/570654983.db2.gz ZEKXIDGNPJXTDH-HMAPJEAMSA-N 0 0 398.487 4.344 40 0 GIABRN O=C(Nc1ccc2ccccc2c1)c1cccc(OC(=S)N2CCOCC2)c1 ZINC000004974012 570655459 /nfs/dbraw/zinc/65/54/59/570655459.db2.gz YLEHHRMTFSGTRQ-UHFFFAOYSA-N 0 0 392.480 4.088 40 0 GIABRN O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)c1ccccc1 ZINC000005630506 570665661 /nfs/dbraw/zinc/66/56/61/570665661.db2.gz JHRPBYHEVWRQAB-SFHVURJKSA-N 0 0 397.475 4.238 40 0 GIABRN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cccc(O)c1)S[C@@H](C)C(=O)N2 ZINC000006679052 570673161 /nfs/dbraw/zinc/67/31/61/570673161.db2.gz ZWNJSFAIHDFWSJ-LIRRHRJNSA-N 0 0 379.485 4.358 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@H]3c2ccccc2)cc1 ZINC000006679261 570673583 /nfs/dbraw/zinc/67/35/83/570673583.db2.gz FTXOXDNKTQEHJO-LIRRHRJNSA-N 0 0 379.485 4.353 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@H]3c2ccsc2)cc1 ZINC000006679353 570673627 /nfs/dbraw/zinc/67/36/27/570673627.db2.gz JRMNTEYAGGNEOF-PXAZEXFGSA-N 0 0 385.514 4.414 40 0 GIABRN CCOc1ccc2ccccc2c1/C=C1/NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000096475541 570674028 /nfs/dbraw/zinc/67/40/28/570674028.db2.gz IAAIIDZPOXXJID-DEDYPNTBSA-N 0 0 390.414 4.471 40 0 GIABRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)COC(=O)CSc1ccc2ccccc2c1 ZINC000006824480 570675177 /nfs/dbraw/zinc/67/51/77/570675177.db2.gz FJCSVQZUHSWFGM-YRNRMSPPSA-N 0 0 385.529 4.416 40 0 GIABRN CCc1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000409026994 570694556 /nfs/dbraw/zinc/69/45/56/570694556.db2.gz NWCHWELFRZFBRD-UHFFFAOYSA-N 0 0 394.496 4.083 40 0 GIABRN O=C1NC(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)N1 ZINC000409053462 570696563 /nfs/dbraw/zinc/69/65/63/570696563.db2.gz CUKWNJHNQSYXRJ-VGOFMYFVSA-N 0 0 397.645 4.406 40 0 GIABRN CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)C1=O ZINC000409103133 570699324 /nfs/dbraw/zinc/69/93/24/570699324.db2.gz AXTZBYRHVNLVQQ-WOJGMQOQSA-N 0 0 387.432 4.470 40 0 GIABRN Cc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NCc2ccc(Cl)cc2)n1 ZINC000260707914 570699652 /nfs/dbraw/zinc/69/96/52/570699652.db2.gz CLAUBIPPONVXDV-ZDUSSCGKSA-N 0 0 389.956 4.161 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(Cl)c(O)c(OC)c3)N21 ZINC000260788315 570705630 /nfs/dbraw/zinc/70/56/30/570705630.db2.gz YQLIDUXUGISXPR-JLZZUVOBSA-N 0 0 389.908 4.429 40 0 GIABRN Cc1ccc(C)c(S(=O)(=O)N2c3ccc(Br)cc3C[C@H]2C)c1 ZINC000260828390 570708827 /nfs/dbraw/zinc/70/88/27/570708827.db2.gz OWPIMICDNOEALD-CYBMUJFWSA-N 0 0 380.307 4.206 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1C[C@H]1CCCO1 ZINC000260910168 570714039 /nfs/dbraw/zinc/71/40/39/570714039.db2.gz CENZMXQLBFTGEW-DUXKGJEZSA-N 0 0 396.560 4.150 40 0 GIABRN COc1cccc(NC(=O)c2sc3nc4ccc(OC)cc4cc3c2N)c1 ZINC000000933867 570727237 /nfs/dbraw/zinc/72/72/37/570727237.db2.gz IRTAPPINOOJEBS-UHFFFAOYSA-N 0 0 379.441 4.301 40 0 GIABRN O=C(Nc1cccc(Cl)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000005184632 570731414 /nfs/dbraw/zinc/73/14/14/570731414.db2.gz SKPOUQOLMGKQQQ-UHFFFAOYSA-N 0 0 386.860 4.393 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(F)c3)ccc2C)cc1 ZINC000006213923 570739384 /nfs/dbraw/zinc/73/93/84/570739384.db2.gz LEXURHMEKOLTPI-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000006211568 570739576 /nfs/dbraw/zinc/73/95/76/570739576.db2.gz WLRGGQAYPUEPIZ-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN CCc1ccccc1NC(=O)Cn1cc(C=O)c2cc(Br)ccc21 ZINC000006247280 570739854 /nfs/dbraw/zinc/73/98/54/570739854.db2.gz BQZVTDXKVVRPKW-UHFFFAOYSA-N 0 0 385.261 4.417 40 0 GIABRN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1C ZINC000006359437 570741176 /nfs/dbraw/zinc/74/11/76/570741176.db2.gz UDJAWOHLCAXCIB-UHFFFAOYSA-N 0 0 396.516 4.225 40 0 GIABRN O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000006392444 570744073 /nfs/dbraw/zinc/74/40/73/570744073.db2.gz RIVAWZQCNIAVRO-UHFFFAOYSA-N 0 0 394.368 4.335 40 0 GIABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(C)n2)cc1Cl ZINC000006613918 570747846 /nfs/dbraw/zinc/74/78/46/570747846.db2.gz ATJXSKGKVYXXOH-UHFFFAOYSA-N 0 0 398.713 4.241 40 0 GIABRN CCOc1ccc(NC(=O)CSc2nnc(COc3ccccc3C)o2)cc1 ZINC000006963091 570754251 /nfs/dbraw/zinc/75/42/51/570754251.db2.gz KXZZHSLETKVVDJ-UHFFFAOYSA-N 0 0 399.472 4.087 40 0 GIABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccccc2C)cc1 ZINC000006968786 570754512 /nfs/dbraw/zinc/75/45/12/570754512.db2.gz JBPIZHQDXOGTAK-UHFFFAOYSA-N 0 0 392.528 4.063 40 0 GIABRN CC[C@](Br)(C(=O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O ZINC000096518667 570754705 /nfs/dbraw/zinc/75/47/05/570754705.db2.gz VYENWXMIPBGARU-QGZVFWFLSA-N 0 0 381.291 4.082 40 0 GIABRN COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(F)cc2)cc1 ZINC000007247578 570757219 /nfs/dbraw/zinc/75/72/19/570757219.db2.gz ZMFARSKMPRACGB-UHFFFAOYSA-N 0 0 378.403 4.017 40 0 GIABRN O=C(Nc1ccc(Br)c(Cl)c1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000007881840 570762477 /nfs/dbraw/zinc/76/24/77/570762477.db2.gz BMFNKGLIXJMBCP-NSHDSACASA-N 0 0 393.668 4.094 40 0 GIABRN CCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@H](C)Oc1ccccc1 ZINC000008090458 570764998 /nfs/dbraw/zinc/76/49/98/570764998.db2.gz ICEFBILIEWMPCN-INIZCTEOSA-N 0 0 396.516 4.477 40 0 GIABRN CCOc1cc(CNn2c(C)n[nH]c2=S)ccc1OCc1cccs1 ZINC000008254769 570766562 /nfs/dbraw/zinc/76/65/62/570766562.db2.gz LQJXTRYVNFSSTL-UHFFFAOYSA-N 0 0 376.507 4.032 40 0 GIABRN COC(=O)c1cc(NC(=O)c2ccccc2SC(C)C)cc(C(=O)OC)c1 ZINC000008497589 570769388 /nfs/dbraw/zinc/76/93/88/570769388.db2.gz MRCDFKSDTPAJLX-UHFFFAOYSA-N 0 0 387.457 4.013 40 0 GIABRN CC(C)CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 ZINC000008810134 570772437 /nfs/dbraw/zinc/77/24/37/570772437.db2.gz VEWKNJYLGDKJEG-UHFFFAOYSA-N 0 0 398.887 4.056 40 0 GIABRN COc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)c(OC)c1 ZINC000008904034 570773572 /nfs/dbraw/zinc/77/35/72/570773572.db2.gz CTFVFSXDGNUXAX-UHFFFAOYSA-N 0 0 383.444 4.446 40 0 GIABRN CCCCCC(=O)Nc1cccc(Cl)c1N1CCN(C(=O)C(C)C)CC1 ZINC000008904384 570773903 /nfs/dbraw/zinc/77/39/03/570773903.db2.gz NPZXUKUFDQXWBB-UHFFFAOYSA-N 0 0 379.932 4.163 40 0 GIABRN Cc1ccc([C@H]2N(c3ccccc3)C(=O)C[C@H]3C(=O)Oc4ccccc4N23)cc1 ZINC000009264832 570774197 /nfs/dbraw/zinc/77/41/97/570774197.db2.gz BDFTVPOSNKHBRD-REWPJTCUSA-N 0 0 384.435 4.225 40 0 GIABRN CC(C)(C)SCCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000009063686 570774352 /nfs/dbraw/zinc/77/43/52/570774352.db2.gz BSFXXUAYWIEZSR-UHFFFAOYSA-N 0 0 386.964 4.339 40 0 GIABRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1NS(C)(=O)=O ZINC000010112025 570781940 /nfs/dbraw/zinc/78/19/40/570781940.db2.gz BSEQHNLMYHBIOD-HNNXBMFYSA-N 0 0 388.533 4.155 40 0 GIABRN COc1ccc(NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)c(OC)c1 ZINC000170580155 570788271 /nfs/dbraw/zinc/78/82/71/570788271.db2.gz XQLYSZAGDOVZEF-UHFFFAOYSA-N 0 0 378.432 4.107 40 0 GIABRN Cc1ccc(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1C ZINC000010336145 570788293 /nfs/dbraw/zinc/78/82/93/570788293.db2.gz QTYVVBADXGKAJI-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN CSc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010315177 570788368 /nfs/dbraw/zinc/78/83/68/570788368.db2.gz KXEASCFFFGSVNC-UHFFFAOYSA-N 0 0 398.509 4.462 40 0 GIABRN CCc1ccc(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000010433940 570790598 /nfs/dbraw/zinc/79/05/98/570790598.db2.gz SGAXQWUTPCSFFT-UHFFFAOYSA-N 0 0 388.533 4.051 40 0 GIABRN Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(I)cc2)c1 ZINC000010542771 570791455 /nfs/dbraw/zinc/79/14/55/570791455.db2.gz HTQXIMRULRIBPS-ZDUSSCGKSA-N 0 0 379.241 4.399 40 0 GIABRN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)c(Cl)c2)o1 ZINC000012177188 570802828 /nfs/dbraw/zinc/80/28/28/570802828.db2.gz SCISDNGWLUMKPW-UHFFFAOYSA-N 0 0 389.864 4.438 40 0 GIABRN Cn1c2ccccc2s/c1=N\C(=O)c1cc(Br)ccc1Cl ZINC000012563867 570808136 /nfs/dbraw/zinc/80/81/36/570808136.db2.gz VJHDFAQJDDXPNY-SDXDJHTJSA-N 0 0 381.682 4.397 40 0 GIABRN Cc1ccccc1N1C[C@H](C(=O)NCC(c2ccccc2)c2ccccc2)CC1=O ZINC000013999522 570869502 /nfs/dbraw/zinc/86/95/02/570869502.db2.gz RLUBXLQNEDLIMC-JOCHJYFZSA-N 0 0 398.506 4.296 40 0 GIABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000014002890 570875244 /nfs/dbraw/zinc/87/52/44/570875244.db2.gz CGINOKSWZGCZDC-GOSISDBHSA-N 0 0 380.488 4.417 40 0 GIABRN CCOc1ccccc1NC(=O)c1nnc2c(-c3ccccc3)c(C)nn2c1C ZINC000014164034 570878844 /nfs/dbraw/zinc/87/88/44/570878844.db2.gz PEPCUMCMRKZHEY-UHFFFAOYSA-N 0 0 387.443 4.059 40 0 GIABRN CCCC(=O)Nc1ccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000014404878 570891132 /nfs/dbraw/zinc/89/11/32/570891132.db2.gz NAKFUEUVCOCYTI-UHFFFAOYSA-N 0 0 376.460 4.480 40 0 GIABRN CC(=O)C(CCC(=O)OCc1ccccc1)CCC(=O)OCc1ccccc1 ZINC000004801809 570897327 /nfs/dbraw/zinc/89/73/27/570897327.db2.gz DKKNMXWTCOOFCK-UHFFFAOYSA-N 0 0 382.456 4.239 40 0 GIABRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc(Cl)cc1 ZINC000017077082 570916535 /nfs/dbraw/zinc/91/65/35/570916535.db2.gz SRAFDMSFNJTOHL-UHFFFAOYSA-N 0 0 376.799 4.393 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3)ccc2C)c1 ZINC000017356094 570919327 /nfs/dbraw/zinc/91/93/27/570919327.db2.gz AIWWBFSCPXRUOA-UHFFFAOYSA-N 0 0 394.496 4.034 40 0 GIABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2c(F)cc(F)cc2Br)c1 ZINC000017081641 570919361 /nfs/dbraw/zinc/91/93/61/570919361.db2.gz KILXKBWPAXICNH-UHFFFAOYSA-N 0 0 399.260 4.471 40 0 GIABRN CN(C)C(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2F)cc1 ZINC000187961064 570921531 /nfs/dbraw/zinc/92/15/31/570921531.db2.gz MCLXRLJVOZHIFM-UHFFFAOYSA-N 0 0 380.872 4.053 40 0 GIABRN O=C(NCc1ccccc1COc1ccccc1Cl)N1CC2(CC2(F)F)C1 ZINC000654459305 570923094 /nfs/dbraw/zinc/92/30/94/570923094.db2.gz SUWUDPGPLIBPJZ-UHFFFAOYSA-N 0 0 392.833 4.470 40 0 GIABRN Cc1ccc(N([C@H](C)C(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1C ZINC000107739194 570923692 /nfs/dbraw/zinc/92/36/92/570923692.db2.gz BKPGJEJHKFDHHR-QGZVFWFLSA-N 0 0 388.533 4.220 40 0 GIABRN c1ccc(CCN(Cc2nnnn2C2CCCCC2)Cc2ccccc2)cc1 ZINC000019371150 570925238 /nfs/dbraw/zinc/92/52/38/570925238.db2.gz CEDSBVAKUISJNP-UHFFFAOYSA-N 0 0 375.520 4.423 40 0 GIABRN O=C(c1ccccc1O)N1CC2(CCOCC2)c2cc(-c3cccnc3)ccc21 ZINC000585105676 570932668 /nfs/dbraw/zinc/93/26/68/570932668.db2.gz BODFFRBCNILCHF-UHFFFAOYSA-N 0 0 386.451 4.163 40 0 GIABRN CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(Br)cc2Cl)C1 ZINC000044137845 570948366 /nfs/dbraw/zinc/94/83/66/570948366.db2.gz RBAPUZHPSLIZNY-NSHDSACASA-N 0 0 376.678 4.491 40 0 GIABRN CCOC(=O)c1cn(Cc2cccc(F)c2)c2cc(C(F)(F)F)ccc2c1=O ZINC000199732519 570951426 /nfs/dbraw/zinc/95/14/26/570951426.db2.gz VTNUUUGKDHVPED-UHFFFAOYSA-N 0 0 393.336 4.384 40 0 GIABRN CC1(C)CC(=O)C2=C(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)NN[C@@H]2C1 ZINC000228978151 570952067 /nfs/dbraw/zinc/95/20/67/570952067.db2.gz ICVQIIZUUFETOB-YPMHNXCESA-N 0 0 378.316 4.405 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN2C(=O)Cc2cccc(Cl)c2)on1 ZINC000019122389 570957498 /nfs/dbraw/zinc/95/74/98/570957498.db2.gz FWCPEGFJVDGAHI-SFHVURJKSA-N 0 0 396.878 4.308 40 0 GIABRN O=C1[C@H]2[C@@H](C(=O)N1c1ccncc1)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000229949470 570962006 /nfs/dbraw/zinc/96/20/06/570962006.db2.gz IBXQASRNSVVFOE-ZCQNZVIGSA-N 0 0 380.447 4.325 40 0 GIABRN CCCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)O[C@@H]1CCC[C@H](C)C1 ZINC000004017178 570965485 /nfs/dbraw/zinc/96/54/85/570965485.db2.gz UWLKPEOLZZUAON-YYFZDKIDSA-N 0 0 386.492 4.225 40 0 GIABRN COc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c1 ZINC000242700079 570985262 /nfs/dbraw/zinc/98/52/62/570985262.db2.gz CYRKYEJFXXCPHQ-UHFFFAOYSA-N 0 0 386.879 4.148 40 0 GIABRN CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2c(CC)cccc2CC)C1 ZINC000244539323 570990808 /nfs/dbraw/zinc/99/08/08/570990808.db2.gz ZXRNYLNAYOFRJZ-GOSISDBHSA-N 0 0 380.488 4.202 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)c3ccccc3Br)s2)cc1 ZINC000095116332 570992872 /nfs/dbraw/zinc/99/28/72/570992872.db2.gz ZVDUYHQEPAFKCQ-UHFFFAOYSA-N 0 0 390.262 4.229 40 0 GIABRN CCc1nc2nc(-c3ccc(NC(=O)c4cccs4)cc3)cn2nc1CC ZINC000019657415 571023920 /nfs/dbraw/zinc/02/39/20/571023920.db2.gz PVBHYDURGZNAEC-UHFFFAOYSA-N 0 0 377.473 4.230 40 0 GIABRN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1cccc(-n2cccn2)c1 ZINC000019717239 571039522 /nfs/dbraw/zinc/03/95/22/571039522.db2.gz QJSDVOGBBUAHQM-UHFFFAOYSA-N 0 0 385.471 4.246 40 0 GIABRN Cc1nc2cc(NC(=O)CN(C)Cc3ccccn3)ccc2n1C1CCCCC1 ZINC000019717593 571040105 /nfs/dbraw/zinc/04/01/05/571040105.db2.gz LAVFUZYDJLFDOS-UHFFFAOYSA-N 0 0 391.519 4.315 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)cc2F)cc(-c2ccccc2)n1 ZINC000328963803 571047513 /nfs/dbraw/zinc/04/75/13/571047513.db2.gz BRPGDMABVGLCPD-IBGZPJMESA-N 0 0 384.430 4.016 40 0 GIABRN COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)o2)c1 ZINC000004928454 817541655 /nfs/dbraw/zinc/54/16/55/817541655.db2.gz RTGNOYYKAYDFCB-UHFFFAOYSA-N 0 0 399.472 4.101 40 0 GIABRN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Br)c1O ZINC000006297230 817673897 /nfs/dbraw/zinc/67/38/97/817673897.db2.gz SVQAXANZOJFDEH-CGOBSMCZSA-N 0 0 390.159 4.023 40 0 GIABRN CCN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)C1=O ZINC000006325781 817676911 /nfs/dbraw/zinc/67/69/11/817676911.db2.gz FMIXBZNVHOPDMS-LDADJPATSA-N 0 0 396.468 4.069 40 0 GIABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc2c(cc1OC)CCCC2 ZINC000006439041 817692627 /nfs/dbraw/zinc/69/26/27/817692627.db2.gz YSRBXKPBOXECPP-IBGZPJMESA-N 0 0 384.501 4.342 40 0 GIABRN Cc1ccc(NC(=O)Cc2nnc(SCc3ccc(Cl)cc3)n2C)cc1 ZINC000006477016 817696774 /nfs/dbraw/zinc/69/67/74/817696774.db2.gz WHOUJNARDPLTQA-UHFFFAOYSA-N 0 0 386.908 4.250 40 0 GIABRN Cc1ccsc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O ZINC000006479649 817697171 /nfs/dbraw/zinc/69/71/71/817697171.db2.gz SYPKINHONZEUIC-VGOFMYFVSA-N 0 0 394.424 4.010 40 0 GIABRN Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(C)c(O)c(C)c3)C2=O)cc1 ZINC000006845613 817719396 /nfs/dbraw/zinc/71/93/96/817719396.db2.gz UKBXWZPHHONOKJ-PDGQHHTCSA-N 0 0 383.469 4.433 40 0 GIABRN COc1ccc(-n2cccc2/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000006953589 817728533 /nfs/dbraw/zinc/72/85/33/817728533.db2.gz FTRNNAKFXKGMPT-CPNJWEJPSA-N 0 0 393.830 4.237 40 0 GIABRN Cc1cc(/C=C2\NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccccc1 ZINC000006967193 817730914 /nfs/dbraw/zinc/73/09/14/817730914.db2.gz COSAREGEMVKWBQ-HMAPJEAMSA-N 0 0 385.467 4.495 40 0 GIABRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)cc1 ZINC000007071381 817752443 /nfs/dbraw/zinc/75/24/43/817752443.db2.gz UAVQZERGUJBFEX-COEKHNBSSA-N 0 0 391.489 4.242 40 0 GIABRN COc1cc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1F ZINC000007361023 817823429 /nfs/dbraw/zinc/82/34/29/817823429.db2.gz YUAHQIYTTLMRCA-UHFFFAOYSA-N 0 0 387.432 4.214 40 0 GIABRN Cc1ccc(O[C@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(C)c1 ZINC000007495616 817854594 /nfs/dbraw/zinc/85/45/94/817854594.db2.gz QMAGLOXFTLBCKW-GOSISDBHSA-N 0 0 386.923 4.381 40 0 GIABRN O=C(Nc1ccc2c(c1)OCCO2)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000007604343 817877884 /nfs/dbraw/zinc/87/78/84/817877884.db2.gz CNWMNFUHVCMCGQ-UHFFFAOYSA-N 0 0 398.418 4.199 40 0 GIABRN Cc1cccc(C)c1N1C[C@@H](C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)CC1=O ZINC000007881632 817949635 /nfs/dbraw/zinc/94/96/35/817949635.db2.gz QVHHPVKKUPYRMZ-WBVHZDCISA-N 0 0 399.874 4.124 40 0 GIABRN C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccccc1 ZINC000007928380 817962405 /nfs/dbraw/zinc/96/24/05/817962405.db2.gz MPIHPPPFUSMKDF-OCCSQVGLSA-N 0 0 377.271 4.224 40 0 GIABRN CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2cccc3cccnc32)CC1=O ZINC000007929341 817962955 /nfs/dbraw/zinc/96/29/55/817962955.db2.gz VMQCGUQRJSUMNB-LJQANCHMSA-N 0 0 388.467 4.318 40 0 GIABRN O=C(/C=C/c1ccccc1)OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000007939905 817965750 /nfs/dbraw/zinc/96/57/50/817965750.db2.gz IZPGEHXSDSBCTF-RMKNXTFCSA-N 0 0 394.652 4.298 40 0 GIABRN COc1ccccc1O[C@@H](C)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000008041375 817988470 /nfs/dbraw/zinc/98/84/70/817988470.db2.gz DWJUOMIPXDMLAY-AWEZNQCLSA-N 0 0 379.909 4.166 40 0 GIABRN COC(=O)c1c2c(sc1NC(=O)[C@@H](C)Oc1ccc(C)cc1C)CCCC2 ZINC000008041645 817988534 /nfs/dbraw/zinc/98/85/34/817988534.db2.gz RZAKOQUJDDJVME-CQSZACIVSA-N 0 0 387.501 4.436 40 0 GIABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000008050581 817989171 /nfs/dbraw/zinc/98/91/71/817989171.db2.gz HILNTLMMVZYSCN-BWAMLYQTSA-N 0 0 378.516 4.010 40 0 GIABRN CCc1ccc(NC(=O)COc2ccc(C(=S)N3CCCC3)cc2OC)cc1 ZINC000008086124 817997238 /nfs/dbraw/zinc/99/72/38/817997238.db2.gz JHKVZWGHEDLCBV-UHFFFAOYSA-N 0 0 398.528 4.046 40 0 GIABRN C=CCc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc(OC)c1O ZINC000008108930 818001813 /nfs/dbraw/zinc/00/18/13/818001813.db2.gz DESYKGAKBDEIDQ-RGEXLXHISA-N 0 0 395.480 4.408 40 0 GIABRN COc1ccc(C[C@H]2SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OC ZINC000008164827 818010001 /nfs/dbraw/zinc/01/00/01/818010001.db2.gz IYVHQSRSDKNVTL-QGZVFWFLSA-N 0 0 391.876 4.164 40 0 GIABRN COc1ccc(C)cc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC000016021096 818385571 /nfs/dbraw/zinc/38/55/71/818385571.db2.gz GSJBDODICPCKIU-LJQANCHMSA-N 0 0 396.487 4.304 40 0 GIABRN Cc1cccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCCC2)c1C ZINC000016439324 818442208 /nfs/dbraw/zinc/44/22/08/818442208.db2.gz KXHYKSGUGFZPTI-LDADJPATSA-N 0 0 390.443 4.358 40 0 GIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)[C@@H](C)Cn2nc(C)cc2C)cc1 ZINC000019573614 818594538 /nfs/dbraw/zinc/59/45/38/818594538.db2.gz UBRIEDXZEDMPKT-HGGDBFGZSA-N 0 0 395.547 4.233 40 0 GIABRN O=C(c1cccnc1)N1CCO[C@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 ZINC000019687748 818598834 /nfs/dbraw/zinc/59/88/34/818598834.db2.gz QWIFDDLBRYXFLK-FQEVSTJZSA-N 0 0 379.847 4.011 40 0 GIABRN Cc1nn(C)cc1CN1CCO[C@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 ZINC000019692587 818599412 /nfs/dbraw/zinc/59/94/12/818599412.db2.gz CZCONXRCYHXJAL-NRFANRHFSA-N 0 0 382.895 4.017 40 0 GIABRN O=C(c1ccccc1)N1CCO[C@@H](c2ccc(Cc3ccc(F)cc3)cn2)C1 ZINC000019693003 818599508 /nfs/dbraw/zinc/59/95/08/818599508.db2.gz PWIFBKKNEJEKKC-JOCHJYFZSA-N 0 0 376.431 4.025 40 0 GIABRN CC(C)C(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)(C(=O)N(C)C)CC1 ZINC000019700457 818600730 /nfs/dbraw/zinc/60/07/30/818600730.db2.gz ITYCMMQEKZILHI-UHFFFAOYSA-N 0 0 392.543 4.249 40 0 GIABRN Cc1cccc(-c2ccc(CC3(C(N)=O)CCN(C(=O)C(C)(C)C)CC3)cc2)c1 ZINC000019700526 818600924 /nfs/dbraw/zinc/60/09/24/818600924.db2.gz PUBWINYSVLXSSG-UHFFFAOYSA-N 0 0 392.543 4.345 40 0 GIABRN COc1ccccc1NC(=O)c1c(N)n(C(=O)c2ccccc2)c2ccccc21 ZINC000028535062 820343665 /nfs/dbraw/zinc/34/36/65/820343665.db2.gz LVSHXRYNKKUGLD-UHFFFAOYSA-N 0 0 385.423 4.173 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1F ZINC000032590626 820973612 /nfs/dbraw/zinc/97/36/12/820973612.db2.gz BHWJOCVWLNXJKA-UHFFFAOYSA-N 0 0 387.432 4.214 40 0 GIABRN Cc1ccc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCCC3)cc1 ZINC000033397239 821055646 /nfs/dbraw/zinc/05/56/46/821055646.db2.gz NNYLCKMSFYVXFY-UHFFFAOYSA-N 0 0 381.423 4.413 40 0 GIABRN COc1cc(C)c(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1OC ZINC000033563266 821057668 /nfs/dbraw/zinc/05/76/68/821057668.db2.gz UTKZXVLNAALFIZ-ZDLGFXPLSA-N 0 0 387.432 4.388 40 0 GIABRN Cc1ccc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCC3)cc1C ZINC000033632299 821058450 /nfs/dbraw/zinc/05/84/50/821058450.db2.gz JNDIGMISOQSYAP-UHFFFAOYSA-N 0 0 381.423 4.332 40 0 GIABRN O=C(/C=C/c1ccco1)NC(=S)Nc1cccc(Cl)c1N1CCCCC1 ZINC000033872730 821060807 /nfs/dbraw/zinc/06/08/07/821060807.db2.gz JMXOUAKMLYLYLE-MDZDMXLPSA-N 0 0 389.908 4.450 40 0 GIABRN CCCN1C(=O)C(=Cc2cn(Cc3cccc(F)c3)c3ccccc23)NC1=S ZINC000039556214 821114141 /nfs/dbraw/zinc/11/41/41/821114141.db2.gz YLNKEELTTGHUDI-UNOMPAQXSA-N 0 0 393.487 4.296 40 0 GIABRN O=C(CSCc1cccc(Cl)c1)Nc1ccccc1C(=O)N1CCCC1 ZINC000051529304 822764238 /nfs/dbraw/zinc/76/42/38/822764238.db2.gz QHYUFWNCPCSETM-UHFFFAOYSA-N 0 0 388.920 4.448 40 0 GIABRN FC(F)(F)c1nc2cc(I)cc(Br)c2o1 ZINC000169805325 823917189 /nfs/dbraw/zinc/91/71/89/823917189.db2.gz DPQXLTQUXNOYHD-UHFFFAOYSA-N 0 0 391.912 4.214 40 0 GIABRN COc1ccc(CC(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2ccncc2)cc1C ZINC000019571153 210267443 /nfs/dbraw/zinc/26/74/43/210267443.db2.gz FEDXMYDHFPECMJ-HXUWFJFHSA-N 0 0 390.487 4.085 40 0 GIABRN Cc1nn(-c2ccc(F)cc2)c2nc3c(cc12)CN(CCc1ccco1)C(=O)O3 ZINC000019565692 210264889 /nfs/dbraw/zinc/26/48/89/210264889.db2.gz KIZQLCJHJOBMRC-UHFFFAOYSA-N 0 0 392.390 4.018 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC(c3nc(C)c(-c4ccncn4)s3)CC2)s1 ZINC000019560698 210264280 /nfs/dbraw/zinc/26/42/80/210264280.db2.gz MPAHCERNXOVBRN-UHFFFAOYSA-N 0 0 399.545 4.002 40 0 GIABRN Cc1sc2nc(C)n(C3CCN(C(=O)C4CCCCC4)CC3)c(=O)c2c1C ZINC000019561178 210263523 /nfs/dbraw/zinc/26/35/23/210263523.db2.gz SGXFBQUNOKBRCY-UHFFFAOYSA-N 0 0 387.549 4.127 40 0 GIABRN COc1ccccc1C(=O)N1CCCC[C@@H]1c1[nH]ncc1-c1onc(C)c1C ZINC000019557900 210263419 /nfs/dbraw/zinc/26/34/19/210263419.db2.gz UJBXOWVNVBUIDC-QGZVFWFLSA-N 0 0 380.448 4.058 40 0 GIABRN COc1ccc(OC)c2[nH]c(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)cc21 ZINC000019552906 210260992 /nfs/dbraw/zinc/26/09/92/210260992.db2.gz NTDACMFOOGYTRS-QGZVFWFLSA-N 0 0 390.443 4.039 40 0 GIABRN COc1ccc(C(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)c(OC)c1 ZINC000019551908 210260574 /nfs/dbraw/zinc/26/05/74/210260574.db2.gz QMEVSULUUPTAKH-GOSISDBHSA-N 0 0 376.456 4.272 40 0 GIABRN CCCn1c(C)cc2cc(NC(=O)c3cc(-c4cnn(C)c4C)on3)ccc21 ZINC000019525992 210256647 /nfs/dbraw/zinc/25/66/47/210256647.db2.gz QKJLAQQEOYVWPR-UHFFFAOYSA-N 0 0 377.448 4.309 40 0 GIABRN CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3Cc3ccncc3)cc2n1 ZINC000019522350 210256676 /nfs/dbraw/zinc/25/66/76/210256676.db2.gz PZCMSWDTSMWHRE-MRXNPFEDSA-N 0 0 375.398 4.043 40 0 GIABRN CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C4=CCCCC4)C3)cc2n1 ZINC000019522355 210256295 /nfs/dbraw/zinc/25/62/95/210256295.db2.gz FCWSDDXOBFXHJN-CQSZACIVSA-N 0 0 392.425 4.127 40 0 GIABRN CCCC(=O)N1CCC[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)NC)C1 ZINC000019501202 210254186 /nfs/dbraw/zinc/25/41/86/210254186.db2.gz GSLPLUBCJKWSNA-QFIPXVFZSA-N 0 0 384.545 4.113 40 0 GIABRN CC1(C)Cc2c(cnn2Cc2cccc(Cl)c2)[C@@H](NC(=O)c2ccccn2)C1 ZINC000019461654 210252903 /nfs/dbraw/zinc/25/29/03/210252903.db2.gz PLALATJBUBBUBH-IBGZPJMESA-N 0 0 394.906 4.423 40 0 GIABRN C[C@@H]1Cc2cc(CN3CCc4onc(Nc5cccc(F)c5)c4C3)ccc2O1 ZINC000019498205 210252946 /nfs/dbraw/zinc/25/29/46/210252946.db2.gz PKFVHPHVAXQVQQ-CQSZACIVSA-N 0 0 379.435 4.439 40 0 GIABRN COc1ccc(CN(Cc2cccnc2)C(=O)c2ccc3c(c2)C[C@H](C)O3)cc1 ZINC000019497887 210252611 /nfs/dbraw/zinc/25/26/11/210252611.db2.gz MLCWVJIUGKXXFN-KRWDZBQOSA-N 0 0 388.467 4.256 40 0 GIABRN C[C@H]1Cc2cc(CCC(=O)NCCc3nc(-c4ccccc4)cs3)ccc2O1 ZINC000019498136 210252183 /nfs/dbraw/zinc/25/21/83/210252183.db2.gz NBNOPDDSWAAMOK-INIZCTEOSA-N 0 0 392.524 4.425 40 0 GIABRN Cc1cc(C(=O)NC(C(C)C)C(C)C)ccc1NS(=O)(=O)c1ccccc1 ZINC000010314304 230873929 /nfs/dbraw/zinc/87/39/29/230873929.db2.gz MJWZZUBWCCVDEB-UHFFFAOYSA-N 0 0 388.533 4.206 40 0 GIABRN COCCC(=O)N1CCC[C@@H](c2noc3nc(C(C)C)cc(C(F)(F)F)c32)C1 ZINC000019452004 210250816 /nfs/dbraw/zinc/25/08/16/210250816.db2.gz HLJHQBVRZIUZEX-GFCCVEGCSA-N 0 0 399.413 4.108 40 0 GIABRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1Cl ZINC000409074474 529382974 /nfs/dbraw/zinc/38/29/74/529382974.db2.gz LXYSPWCRTGZJFX-JDTFSJQSSA-N 0 0 397.880 4.115 40 0 GIABRN C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000128165563 231025889 /nfs/dbraw/zinc/02/58/89/231025889.db2.gz HXKPPYRFMQPVBY-INIZCTEOSA-N 0 0 391.496 4.131 40 0 GIABRN O=Cc1cc(Br)c(Sc2nc3c(c(C(F)(F)F)n2)CCC3)o1 ZINC000408552263 231058293 /nfs/dbraw/zinc/05/82/93/231058293.db2.gz KVRDNQUZCVQZHS-UHFFFAOYSA-N 0 0 393.184 4.303 40 0 GIABRN COc1cc(CO)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539424 231055174 /nfs/dbraw/zinc/05/51/74/231055174.db2.gz HKRPIUHGFFGCAX-UHFFFAOYSA-N 0 0 380.440 4.354 40 0 GIABRN Cc1ccccc1CNC(=O)c1ccccc1NC(=O)c1c(F)cccc1F ZINC000408614272 231080736 /nfs/dbraw/zinc/08/07/36/231080736.db2.gz AKHPCFYHMXFGMW-UHFFFAOYSA-N 0 0 380.394 4.456 40 0 GIABRN COc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccccc1F ZINC000408614700 231081084 /nfs/dbraw/zinc/08/10/84/231081084.db2.gz GNZTVQLKQFKHLG-UHFFFAOYSA-N 0 0 378.403 4.017 40 0 GIABRN COc1cccc2cc(C(=O)Nc3ccc(I)cc3)oc21 ZINC000408567989 231065646 /nfs/dbraw/zinc/06/56/46/231065646.db2.gz HLPBOURRNILTGI-UHFFFAOYSA-N 0 0 393.180 4.298 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)c1 ZINC000408584785 231067697 /nfs/dbraw/zinc/06/76/97/231067697.db2.gz VAFMGBCDQZKOKR-UHFFFAOYSA-N 0 0 387.505 4.204 40 0 GIABRN CC(C)CC(=O)N1CC[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 ZINC000019446180 210247541 /nfs/dbraw/zinc/24/75/41/210247541.db2.gz UNMBIQYVSMTSHR-QHCPKHFHSA-N 0 0 398.572 4.311 40 0 GIABRN Cc1csc2[nH]c(SCC(=O)Nc3cc(Cl)ccc3C)nc(=O)c12 ZINC000408596614 231072864 /nfs/dbraw/zinc/07/28/64/231072864.db2.gz SLHMKOCQFJRZLM-UHFFFAOYSA-N 0 0 379.894 4.398 40 0 GIABRN Cc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)cc1C ZINC000408666008 231092686 /nfs/dbraw/zinc/09/26/86/231092686.db2.gz ZUVXKZYCGCQUMZ-WBVHZDCISA-N 0 0 399.874 4.124 40 0 GIABRN O=C(c1ccc(Cl)cc1)N(Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408677973 231093477 /nfs/dbraw/zinc/09/34/77/231093477.db2.gz CHXSSEXVRJCHLO-OALUTQOASA-N 0 0 396.874 4.073 40 0 GIABRN Cc1cccc(C)c1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC(C)=CC[C@@H]2C1=O ZINC000408682916 231094354 /nfs/dbraw/zinc/09/43/54/231094354.db2.gz LROCWPOEHKKSKV-PKOBYXMFSA-N 0 0 388.467 4.401 40 0 GIABRN O=C(Nc1ccccc1F)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 ZINC000408697825 231096385 /nfs/dbraw/zinc/09/63/85/231096385.db2.gz JYAZQEDKUCGTDX-UHFFFAOYSA-N 0 0 376.366 4.465 40 0 GIABRN Cc1cc(F)ccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408706720 231100296 /nfs/dbraw/zinc/10/02/96/231100296.db2.gz CQGQERKFWNLBRN-NSHDSACASA-N 0 0 381.234 4.433 40 0 GIABRN O=C(NCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1F ZINC000408706645 231100438 /nfs/dbraw/zinc/10/04/38/231100438.db2.gz BQEYYIUHIKCYLU-UHFFFAOYSA-N 0 0 396.849 4.366 40 0 GIABRN O=C(c1cccs1)N1CCC[C@@H](c2nnc(-c3nccc4ccccc43)o2)C1 ZINC000019376418 210247007 /nfs/dbraw/zinc/24/70/07/210247007.db2.gz YQMQXXRNBSXAIS-OAHLLOKOSA-N 0 0 390.468 4.366 40 0 GIABRN COc1ccc(C(=O)Nc2ccc3sc(C(=O)N4CCCC4)cc3c2)cc1 ZINC000408712934 231102536 /nfs/dbraw/zinc/10/25/36/231102536.db2.gz CAAFTIODQONUOA-UHFFFAOYSA-N 0 0 380.469 4.398 40 0 GIABRN Cc1ccc(OCC(=O)Nc2ccc(I)cc2F)cc1C ZINC000408620630 231083342 /nfs/dbraw/zinc/08/33/42/231083342.db2.gz HZXYQTQEKROOIO-UHFFFAOYSA-N 0 0 399.203 4.065 40 0 GIABRN Cc1cc(C)cc(OCC(=O)Nc2ccc(I)cc2F)c1 ZINC000408623464 231085186 /nfs/dbraw/zinc/08/51/86/231085186.db2.gz ULUOZZYRZYGSPM-UHFFFAOYSA-N 0 0 399.203 4.065 40 0 GIABRN O=C(NC1CCC2(CC1)CC(=O)c1ccccc1O2)c1cccc2cccnc21 ZINC000019374557 210246724 /nfs/dbraw/zinc/24/67/24/210246724.db2.gz TUVWGUAPWFSCCE-UHFFFAOYSA-N 0 0 386.451 4.311 40 0 GIABRN O=C(CC1CCCC1)N1CCNC(=O)[C@H](Cc2ccccc2-c2ccccc2)C1 ZINC000019374306 210246432 /nfs/dbraw/zinc/24/64/32/210246432.db2.gz NOGSZWGWNGENGA-JOCHJYFZSA-N 0 0 390.527 4.051 40 0 GIABRN O=C(CCNC(=O)Oc1ccccc1)Nc1ccc(Cl)c(Br)c1 ZINC000409002630 231145637 /nfs/dbraw/zinc/14/56/37/231145637.db2.gz OTAUGKGIXUXXQM-UHFFFAOYSA-N 0 0 397.656 4.220 40 0 GIABRN O=C(CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)Nc1cccc(Cl)c1 ZINC000409168579 231173663 /nfs/dbraw/zinc/17/36/63/231173663.db2.gz MZWBWZBHHNJKNC-OVCLIPMQSA-N 0 0 390.823 4.154 40 0 GIABRN Cc1cccc(OCc2nn(CC(=O)Nc3cc(C)cc(C)c3)c(=S)o2)c1 ZINC000409157673 231173036 /nfs/dbraw/zinc/17/30/36/231173036.db2.gz WDMIKWAKCVBRHJ-UHFFFAOYSA-N 0 0 383.473 4.349 40 0 GIABRN CCn1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)c1C ZINC000409093868 231157878 /nfs/dbraw/zinc/15/78/78/231157878.db2.gz BEGGRNVFKQIWHS-WQRHYEAKSA-N 0 0 397.500 4.108 40 0 GIABRN Cc1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1-c1ccc(F)cc1 ZINC000409094554 231159497 /nfs/dbraw/zinc/15/94/97/231159497.db2.gz FREFDIHLPQUJGG-UHFFFAOYSA-N 0 0 390.871 4.407 40 0 GIABRN Cc1nnc(SCC(=O)Nc2ccccc2Cl)n1-c1ccc(F)cc1 ZINC000409101809 231160611 /nfs/dbraw/zinc/16/06/11/231160611.db2.gz WQVGNGNMDIZFKN-UHFFFAOYSA-N 0 0 376.844 4.099 40 0 GIABRN O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3ccccc3)c2)o1 ZINC000409182764 231176592 /nfs/dbraw/zinc/17/65/92/231176592.db2.gz OAZPWBKQJHCVLD-UHFFFAOYSA-N 0 0 383.787 4.208 40 0 GIABRN O=C(CN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O)N1CCCCCC1 ZINC000409200703 231179634 /nfs/dbraw/zinc/17/96/34/231179634.db2.gz IQCCYNSGJFGNLW-RGEXLXHISA-N 0 0 394.496 4.279 40 0 GIABRN Cc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O ZINC000409244308 231186429 /nfs/dbraw/zinc/18/64/29/231186429.db2.gz AXFKYWLGQGXMQF-MHWRWJLKSA-N 0 0 386.860 4.323 40 0 GIABRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3C)C2=O)c1 ZINC000409300726 231189147 /nfs/dbraw/zinc/18/91/47/231189147.db2.gz AMUWPCCEHBBECM-WOJGMQOQSA-N 0 0 380.469 4.287 40 0 GIABRN Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)o1 ZINC000409332275 231190837 /nfs/dbraw/zinc/19/08/37/231190837.db2.gz KWDOWDWYIFCROL-WOJGMQOQSA-N 0 0 392.436 4.416 40 0 GIABRN Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)o1 ZINC000409350447 231194820 /nfs/dbraw/zinc/19/48/20/231194820.db2.gz XUEVKIFIAWDSLL-LICLKQGHSA-N 0 0 384.457 4.386 40 0 GIABRN O=C(c1ccc(C(F)(F)F)cc1)N1CCC(c2nnc3n2CCCCC3)CC1 ZINC000019331941 210241075 /nfs/dbraw/zinc/24/10/75/210241075.db2.gz DYXGBCVONVASCC-UHFFFAOYSA-N 0 0 392.425 4.043 40 0 GIABRN O=C(c1ccc(Oc2ncccn2)cc1)N1CCC(Oc2cccc(F)c2)CC1 ZINC000019294219 210239108 /nfs/dbraw/zinc/23/91/08/210239108.db2.gz SXJGELJNZNNHJN-UHFFFAOYSA-N 0 0 393.418 4.092 40 0 GIABRN Clc1cccc(Cl)c1CN1CCC[C@H](c2noc(-c3cnccn3)n2)C1 ZINC000019292582 210239139 /nfs/dbraw/zinc/23/91/39/210239139.db2.gz AWKXQEQPJKWXTH-LBPRGKRZSA-N 0 0 390.274 4.213 40 0 GIABRN CCc1ccccc1NC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O ZINC000408627938 529594385 /nfs/dbraw/zinc/59/43/85/529594385.db2.gz RSIUZEBBNRCROJ-UHFFFAOYSA-N 0 0 392.480 4.063 40 0 GIABRN Cn1ccnc1-c1nc(NCc2ccccn2)ncc1-c1ccc(Cl)cc1 ZINC000019291721 210238097 /nfs/dbraw/zinc/23/80/97/210238097.db2.gz UZEGJHDWABTEDJ-UHFFFAOYSA-N 0 0 376.851 4.205 40 0 GIABRN Cn1ccnc1-c1nc(NCC[C@H]2CCCCO2)ncc1-c1cccc(F)c1 ZINC000019291645 210237114 /nfs/dbraw/zinc/23/71/14/210237114.db2.gz IIIQVHSRSLWBPR-QGZVFWFLSA-N 0 0 381.455 4.054 40 0 GIABRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)cc1 ZINC000409182530 529674772 /nfs/dbraw/zinc/67/47/72/529674772.db2.gz MELSBYBUYAHPQA-GZTJUZNOSA-N 0 0 384.432 4.063 40 0 GIABRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3F)C2=O)cc1 ZINC000409180345 529674828 /nfs/dbraw/zinc/67/48/28/529674828.db2.gz QXVFYYHVQCJKMK-GZTJUZNOSA-N 0 0 384.432 4.063 40 0 GIABRN Cc1ccc([C@H]2CCCN2C(=O)CCCc2nc(-c3ccccn3)no2)cc1C ZINC000019213754 210231604 /nfs/dbraw/zinc/23/16/04/210231604.db2.gz PEYHTPZLINCMAX-HXUWFJFHSA-N 0 0 390.487 4.435 40 0 GIABRN Cc1ccc(C(=O)N2CCC(c3nc(C)c(-c4ccncn4)s3)CC2)s1 ZINC000019216874 210231311 /nfs/dbraw/zinc/23/13/11/210231311.db2.gz PKXUWBAQHPVSCY-UHFFFAOYSA-N 0 0 384.530 4.298 40 0 GIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NC(=O)c2ccc(C)nc2)cc1OC ZINC000019214953 210230870 /nfs/dbraw/zinc/23/08/70/210230870.db2.gz HXDSWIDFZHECAD-KSCDAYEDSA-N 0 0 380.488 4.109 40 0 GIABRN Cc1ccc(CC(=O)N2CCC[C@H]2c2nc(C)ncc2-c2ccncc2C)cc1 ZINC000019209552 210229139 /nfs/dbraw/zinc/22/91/39/210229139.db2.gz XXEMPKMMKAIZOO-QFIPXVFZSA-N 0 0 386.499 4.370 40 0 GIABRN Cc1cc(-c2cc(=O)n([C@H](C)C(=O)c3ccc(F)cc3)nc2-c2ccco2)on1 ZINC000019121119 210227288 /nfs/dbraw/zinc/22/72/88/210227288.db2.gz XNKVXKOIWVRXFL-CYBMUJFWSA-N 0 0 393.374 4.050 40 0 GIABRN Cc1cc(-c2cncnc2-c2ccc(CNC(=O)CC3CCCC3)cc2)on1 ZINC000019124274 210227309 /nfs/dbraw/zinc/22/73/09/210227309.db2.gz JQTANZHAAXEDPD-UHFFFAOYSA-N 0 0 376.460 4.304 40 0 GIABRN CN(C)/C=C/c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1 ZINC000019117959 210226158 /nfs/dbraw/zinc/22/61/58/210226158.db2.gz SUDPVYHCXGUVMJ-ONEGZZNKSA-N 0 0 384.909 4.057 40 0 GIABRN CC(C)(C)C(=O)N1CCC[C@](Cc2cccc(-c3cccs3)c2)(C(N)=O)C1 ZINC000019081159 210224971 /nfs/dbraw/zinc/22/49/71/210224971.db2.gz ZWWGPGRBZARLMR-JOCHJYFZSA-N 0 0 384.545 4.098 40 0 GIABRN CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)C(C)(C)C)C1 ZINC000019081164 210224983 /nfs/dbraw/zinc/22/49/83/210224983.db2.gz LKSAYUJVABDIDR-QHCPKHFHSA-N 0 0 398.572 4.359 40 0 GIABRN CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1ccccc1F ZINC000019017576 210222008 /nfs/dbraw/zinc/22/20/08/210222008.db2.gz CSQRTWPCDODSAN-UEVCKROQSA-N 0 0 394.490 4.225 40 0 GIABRN CC(=O)N1CCC[C@@H](c2cc(Nc3cccc(F)c3)nc(-c3cccnc3)n2)C1 ZINC000019017013 210221949 /nfs/dbraw/zinc/22/19/49/210221949.db2.gz HNNOTFXNESEPLQ-QGZVFWFLSA-N 0 0 391.450 4.147 40 0 GIABRN CC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CC1CCCC1 ZINC000019017891 210221562 /nfs/dbraw/zinc/22/15/62/210221562.db2.gz LZIZNIPLTZBUIA-CQOQZXRMSA-N 0 0 382.548 4.352 40 0 GIABRN C[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000018109990 210214158 /nfs/dbraw/zinc/21/41/58/210214158.db2.gz PBOXPNFYOKJACS-OLZOCXBDSA-N 0 0 377.893 4.469 40 0 GIABRN Cc1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)c(C)c1 ZINC000018100273 210213498 /nfs/dbraw/zinc/21/34/98/210213498.db2.gz DUBQVPVRLLLWOE-VABKMULXSA-N 0 0 398.462 4.355 40 0 GIABRN Oc1ccc(O[C@]2(F)C(F)(F)C(F)(F)[C@]2(F)Oc2ccc(O)cc2)cc1 ZINC000017835366 210211287 /nfs/dbraw/zinc/21/12/87/210211287.db2.gz ZHYIEGJJYBHJHS-IYBDPMFKSA-N 0 0 380.240 4.171 40 0 GIABRN CCCOc1cccc(C(=O)Nc2cccc(-c3nn4c(C)nnc4s3)c2)c1 ZINC000017080389 210205113 /nfs/dbraw/zinc/20/51/13/210205113.db2.gz SXJSBBRPZLTBNI-UHFFFAOYSA-N 0 0 393.472 4.202 40 0 GIABRN CN(C/C=C\CN(C)C(=S)Nc1ccccc1)C(=S)Nc1ccccc1 ZINC000017105578 210203880 /nfs/dbraw/zinc/20/38/80/210203880.db2.gz YWUMZJKHAAFOKJ-KTKRTIGZSA-N 0 0 384.574 4.200 40 0 GIABRN C[C@@H](NC(=O)CSc1nnc([C@@H]2C[C@@H]2c2ccccc2)n1C)c1ccccc1 ZINC000017080237 210202939 /nfs/dbraw/zinc/20/29/39/210202939.db2.gz DFDROKBUAHEOAA-ATZDWAIDSA-N 0 0 392.528 4.056 40 0 GIABRN CCCCc1ccc(C(=O)N2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000017043916 210200792 /nfs/dbraw/zinc/20/07/92/210200792.db2.gz ATRHDTMEYOVUHA-UHFFFAOYSA-N 0 0 377.488 4.150 40 0 GIABRN CCC(=O)n1c(CC)nc2c1SC(c1ccc(C)c(C)c1)=NN2C(=O)CC ZINC000016806954 210197387 /nfs/dbraw/zinc/19/73/87/210197387.db2.gz NZECSGZWIACDQS-UHFFFAOYSA-N 0 0 384.505 4.323 40 0 GIABRN O=C(Nc1ccccc1)N(Cc1cccc(F)c1)c1nnc2n1CCCCC2 ZINC000016769782 210196253 /nfs/dbraw/zinc/19/62/53/210196253.db2.gz QUDYGDSFJISBKI-UHFFFAOYSA-N 0 0 379.439 4.382 40 0 GIABRN O=c1oc2ccccc2cc1-c1csc(SCc2cn3cccnc3n2)n1 ZINC000016525696 210191389 /nfs/dbraw/zinc/19/13/89/210191389.db2.gz FNJPIHRYMJIYCX-UHFFFAOYSA-N 0 0 392.465 4.252 40 0 GIABRN Cc1cc(C)cc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c1 ZINC000015591580 210160930 /nfs/dbraw/zinc/16/09/30/210160930.db2.gz KTMZXIYGAQTBJH-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN O=C(Nc1cnn(-c2cnn(Cc3ccccc3)c2)c1)c1ccc(Cl)cc1 ZINC000036620793 210158930 /nfs/dbraw/zinc/15/89/30/210158930.db2.gz PWBUYSGMYRZODP-UHFFFAOYSA-N 0 0 377.835 4.023 40 0 GIABRN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000015505086 210158376 /nfs/dbraw/zinc/15/83/76/210158376.db2.gz KNEPNGHQEURYII-AWEZNQCLSA-N 0 0 376.909 4.296 40 0 GIABRN CCCCn1c2nc(-c3ccc(C)cc3)cc(C(=O)OC)c2c(=O)[nH]c1=S ZINC000036614292 210153795 /nfs/dbraw/zinc/15/37/95/210153795.db2.gz XEAYEALSDGMULA-UHFFFAOYSA-N 0 0 383.473 4.016 40 0 GIABRN CN(Cc1nnc(-c2ccccc2)o1)C(=O)COc1ccc(Cl)cc1Cl ZINC000408713982 530030047 /nfs/dbraw/zinc/03/00/47/530030047.db2.gz FMNIPAIWTGETDG-UHFFFAOYSA-N 0 0 392.242 4.081 40 0 GIABRN CCCC[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000013757447 210088233 /nfs/dbraw/zinc/08/82/33/210088233.db2.gz MMPNJVSWEOJWGD-OTWHNJEPSA-N 0 0 384.863 4.209 40 0 GIABRN CC[C@H](C(=O)Nc1c(C)cccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711948 210082798 /nfs/dbraw/zinc/08/27/98/210082798.db2.gz NMEGIODRSXYUCQ-QGZVFWFLSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@H](C(=O)Nc1ccc(C)c(C)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711957 210082602 /nfs/dbraw/zinc/08/26/02/210082602.db2.gz IRRCVEVYNMDBEC-GOSISDBHSA-N 0 0 394.924 4.140 40 0 GIABRN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 ZINC000013685719 210080363 /nfs/dbraw/zinc/08/03/63/210080363.db2.gz WWHIEMBNNSRAAM-KRWDZBQOSA-N 0 0 392.455 4.232 40 0 GIABRN C[C@H]1CCCN(C(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)C1 ZINC000013672490 210078322 /nfs/dbraw/zinc/07/83/22/210078322.db2.gz YSPPMNMYRIVHOW-GAJHUEQPSA-N 0 0 394.540 4.333 40 0 GIABRN C[C@H]1Cc2ccccc2N1C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000013632405 210073961 /nfs/dbraw/zinc/07/39/61/210073961.db2.gz SMXUOIZBTVRCEY-INIZCTEOSA-N 0 0 392.480 4.079 40 0 GIABRN Cc1ccc(C)c(NC(=O)CN2CCOc3nc4c(C)ccc(C)c4cc3C2)c1 ZINC000013563776 210069007 /nfs/dbraw/zinc/06/90/07/210069007.db2.gz ZFGQODWZMGFCFS-UHFFFAOYSA-N 0 0 389.499 4.302 40 0 GIABRN CC(=O)[C@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC5(OCCO5)[C@@]4(C)CC[C@@H]32)C1 ZINC000013408629 210060657 /nfs/dbraw/zinc/06/06/57/210060657.db2.gz WVWLZTRPYHOEKB-YRCTWBNTSA-N 0 0 376.537 4.092 40 0 GIABRN Cc1sc2nc(C3CC3)n(C3CCN(C(=O)c4ccco4)CC3)c(=O)c2c1C ZINC000012336908 209942873 /nfs/dbraw/zinc/94/28/73/209942873.db2.gz FCEWOESXEZYBLE-UHFFFAOYSA-N 0 0 397.500 4.023 40 0 GIABRN O=C(CCc1ccc(Cl)cc1)N[C@@H]1CCCc2nc(-c3ccncc3)ncc21 ZINC000012254344 209927098 /nfs/dbraw/zinc/92/70/98/209927098.db2.gz ISCZRFBRQXPEDR-LJQANCHMSA-N 0 0 392.890 4.318 40 0 GIABRN CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)Cc2ccccc2F)C1 ZINC000012238610 209926344 /nfs/dbraw/zinc/92/63/44/209926344.db2.gz FCWBAQZKTILFMS-LJQANCHMSA-N 0 0 390.462 4.050 40 0 GIABRN Cc1c2cc(C)ccc2n(C)c1C(=O)N1CCC(O)(c2cccc(C)c2)CC1 ZINC000012148708 209913058 /nfs/dbraw/zinc/91/30/58/209913058.db2.gz GKQNUKRPANGSNX-UHFFFAOYSA-N 0 0 376.500 4.227 40 0 GIABRN C[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000010969559 209867739 /nfs/dbraw/zinc/86/77/39/209867739.db2.gz NHYWEMBKAOUHCR-STQMWFEESA-N 0 0 397.949 4.102 40 0 GIABRN O=C(CCc1nc(-c2cccs2)no1)Nc1cccc(Br)c1 ZINC000007069778 209720097 /nfs/dbraw/zinc/72/00/97/209720097.db2.gz UUZIRAHZPWYFAG-UHFFFAOYSA-N 0 0 378.251 4.132 40 0 GIABRN CCc1ccc2c(c1)C(=O)C(=O)N2CC(=O)Nc1ccccc1-c1ccccc1 ZINC000035315118 209633166 /nfs/dbraw/zinc/63/31/66/209633166.db2.gz JSJCGWKFNMDVLS-UHFFFAOYSA-N 0 0 384.435 4.084 40 0 GIABRN C[C@@H]1[C@@H](NNc2ccccc2)Oc2cc3c(cc2[C@@H]1c1ccccc1O)OCO3 ZINC000005956724 209624640 /nfs/dbraw/zinc/62/46/40/209624640.db2.gz BBXMIJIOSXULBG-CVRXJBIPSA-N 0 0 390.439 4.224 40 0 GIABRN COc1cc([C@H]2C3=C(CCC3)Oc3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000005663556 209608125 /nfs/dbraw/zinc/60/81/25/209608125.db2.gz QWWAMRZKBGIWDX-NRFANRHFSA-N 0 0 382.412 4.403 40 0 GIABRN Fc1ccc(NC(=S)NNC(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000005660039 209607883 /nfs/dbraw/zinc/60/78/83/209607883.db2.gz LKQWSCBPZLZKRR-UHFFFAOYSA-N 0 0 388.415 4.033 40 0 GIABRN C[C@H](OC(C)(C)C)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002567348 209369378 /nfs/dbraw/zinc/36/93/78/209369378.db2.gz LBVPBNDGSCZOTB-YCRPNKLZSA-N 0 0 383.488 4.090 40 0 GIABRN Clc1cc(Br)cc(Br)c1I ZINC000002545235 209369485 /nfs/dbraw/zinc/36/94/85/209369485.db2.gz RLXLNRHOXVGHAH-UHFFFAOYSA-N 0 0 396.247 4.470 40 0 GIABRN CC(=O)c1ccc(-n2c3nc4ccc(C)cc4nc3n(-c3ccccc3)c2=O)cc1 ZINC000001585500 209333671 /nfs/dbraw/zinc/33/36/71/209333671.db2.gz OXTJEXRYONABLP-UHFFFAOYSA-N 0 0 394.434 4.236 40 0 GIABRN CC(C)C(=O)NCc1ccccc1Sc1ccccc1CNC(=O)C(C)C ZINC000001559279 209331953 /nfs/dbraw/zinc/33/19/53/209331953.db2.gz ZBGQOIGYNVBGNW-UHFFFAOYSA-N 0 0 384.545 4.382 40 0 GIABRN CCCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)cc1 ZINC000001838829 209341157 /nfs/dbraw/zinc/34/11/57/209341157.db2.gz SBKWPFJLLISMLD-UHFFFAOYSA-N 0 0 389.477 4.351 40 0 GIABRN CC(=O)N1C(=O)N(Cl)C(=O)C1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001678566 209337456 /nfs/dbraw/zinc/33/74/56/209337456.db2.gz KUGHXCWFPQFOKM-UHFFFAOYSA-N 0 0 397.645 4.202 40 0 GIABRN CCOC(=O)c1ccc(Nc2nnc(-c3ccc(OC)cc3OC)s2)cc1 ZINC000001735429 209337259 /nfs/dbraw/zinc/33/72/59/209337259.db2.gz HLULKZAJJLORSA-UHFFFAOYSA-N 0 0 385.445 4.143 40 0 GIABRN O=C(Nc1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)c1ccccc1 ZINC000001646592 209334820 /nfs/dbraw/zinc/33/48/20/209334820.db2.gz ZAODIUKZHIERKY-UHFFFAOYSA-N 0 0 386.860 4.393 40 0 GIABRN O=C(COC(=O)c1cc2sccc2n1Cc1ccccc1)NC1CCCCC1 ZINC000001361103 209322972 /nfs/dbraw/zinc/32/29/72/209322972.db2.gz ATFKYIDAKDTUEY-UHFFFAOYSA-N 0 0 396.512 4.357 40 0 GIABRN CCCC(=O)Oc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1OCC ZINC000001440148 209328665 /nfs/dbraw/zinc/32/86/65/209328665.db2.gz HFDJHQUMLVAXMF-GHRIWEEISA-N 0 0 379.412 4.135 40 0 GIABRN Cc1cccc(C(=O)Oc2ccc(CCN3C(=O)c4ccccc4C3=O)cc2)c1 ZINC000000960082 209285139 /nfs/dbraw/zinc/28/51/39/209285139.db2.gz PERSKBDFUUQMNY-UHFFFAOYSA-N 0 0 385.419 4.053 40 0 GIABRN CC1(C)C[C@@]2(C[C@@H](c3ccccc3Cl)c3ccc(O)cc3O2)NC(=S)N1 ZINC000000885493 209276550 /nfs/dbraw/zinc/27/65/50/209276550.db2.gz UCGKZBPRBWAQLD-YWZLYKJASA-N 0 0 388.920 4.303 40 0 GIABRN Cc1ccc(C)c(NC(=O)CSc2nnc3c(n2)[nH]c2c3c(C)ccc2C)c1 ZINC000000877595 209276290 /nfs/dbraw/zinc/27/62/90/209276290.db2.gz OIUFDWGLTKTEBE-UHFFFAOYSA-N 0 0 391.500 4.471 40 0 GIABRN O=C(N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000006344334 209233402 /nfs/dbraw/zinc/23/34/02/209233402.db2.gz ILHGLRRAUKTLLN-JOCHJYFZSA-N 0 0 389.451 4.268 40 0 GIABRN CC(C)(C)c1ccc(C(=O)Nc2nc3ccc(-n4cnnc4)cc3s2)cc1 ZINC000057340568 209213006 /nfs/dbraw/zinc/21/30/06/209213006.db2.gz BROPHTYWAZWYHS-UHFFFAOYSA-N 0 0 377.473 4.427 40 0 GIABRN CCOc1ccc(NC(=O)Nc2cc(C)cn(Cc3ccccc3F)c2=O)cc1 ZINC000005000855 209190006 /nfs/dbraw/zinc/19/00/06/209190006.db2.gz FJHDDDFXGSFOGA-UHFFFAOYSA-N 0 0 395.434 4.387 40 0 GIABRN CCOC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4cc(C)ccc4o3)c2)C1 ZINC000045887493 209196467 /nfs/dbraw/zinc/19/64/67/209196467.db2.gz QSLKMNRWGIISGD-CYBMUJFWSA-N 0 0 398.846 4.373 40 0 GIABRN Cc1c(C(N)=O)c2ccccc2n1C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000216905477 209182572 /nfs/dbraw/zinc/18/25/72/209182572.db2.gz QNDCOSGTSRIHJD-NSHDSACASA-N 0 0 391.254 4.463 40 0 GIABRN COCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@H]1c1ccc(Cl)cc1Cl ZINC000035170125 209181608 /nfs/dbraw/zinc/18/16/08/209181608.db2.gz XTROJNGRBBSKFJ-QGZVFWFLSA-N 0 0 392.242 4.168 40 0 GIABRN Cc1ccccc1N(CC(=O)c1ccc2c(c1)OCCO2)C1=NCCCCC1 ZINC000008415747 212073808 /nfs/dbraw/zinc/07/38/08/212073808.db2.gz VAMFOMNPOOZYTI-UHFFFAOYSA-N 0 0 378.472 4.428 40 0 GIABRN C[C@H]1CCC(=O)[C@H]([C@]2(O)c3ccccc3N(Cc3ccccc3Cl)C2=O)C1 ZINC000096191613 212074792 /nfs/dbraw/zinc/07/47/92/212074792.db2.gz LTGGJOMSBHUQTI-WTBBCNCBSA-N 0 0 383.875 4.080 40 0 GIABRN Cc1nn(-c2ccc(C)cc2)c(Cl)c1/C=C1\N=C(c2ccccc2)OC1=O ZINC000002772427 212061823 /nfs/dbraw/zinc/06/18/23/212061823.db2.gz JOHQBGZHJHOOSX-PDGQHHTCSA-N 0 0 377.831 4.487 40 0 GIABRN CCOc1cc(C=O)cc(I)c1OCCc1ccccc1 ZINC000001441046 212061462 /nfs/dbraw/zinc/06/14/62/212061462.db2.gz CHZQYDMIRLXDIA-UHFFFAOYSA-N 0 0 396.224 4.124 40 0 GIABRN c1cc(CN2CCO[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cs1 ZINC000306144424 212055946 /nfs/dbraw/zinc/05/59/46/212055946.db2.gz ZERZCBNKNLUPLN-FQEVSTJZSA-N 0 0 376.485 4.031 40 0 GIABRN O=C1c2cccn2[C@H]2CN(Cc3ccc(Cl)cc3)C[C@@H]2N1Cc1cccs1 ZINC000306133847 212051968 /nfs/dbraw/zinc/05/19/68/212051968.db2.gz MXUJVUKRPRTQBC-PMACEKPBSA-N 0 0 397.931 4.285 40 0 GIABRN CCCN(CC1CC1)C(=O)C1CCC2(CC1)Nc1ccc(C)nc1-n1cncc12 ZINC000306132333 212049650 /nfs/dbraw/zinc/04/96/50/212049650.db2.gz LFICGTKSTVSIBX-UHFFFAOYSA-N 0 0 393.535 4.035 40 0 GIABRN Cc1cccc(CN2C[C@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@@H]3C2)c1 ZINC000306136217 212050653 /nfs/dbraw/zinc/05/06/53/212050653.db2.gz PNATYWRVLOVYEE-SIKLNZKXSA-N 0 0 379.481 4.010 40 0 GIABRN O=C1c2cccn2[C@@H]2CN(Cc3cccc(Cl)c3)C[C@H]2N1Cc1cccs1 ZINC000306130392 212046183 /nfs/dbraw/zinc/04/61/83/212046183.db2.gz JETNDUFLAOUMLD-WOJBJXKFSA-N 0 0 397.931 4.285 40 0 GIABRN Cc1cc(C(F)(F)F)c2c(N)c(C(=O)N3CCc4ccccc4C3)sc2n1 ZINC000261527100 212030553 /nfs/dbraw/zinc/03/05/53/212030553.db2.gz ZOADRSKSMOUHEG-UHFFFAOYSA-N 0 0 391.418 4.404 40 0 GIABRN COCCC(=O)N[C@@]1(C)C[C@H](c2cccc(F)c2F)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257329654 212025441 /nfs/dbraw/zinc/02/54/41/212025441.db2.gz XKVYBWDAJYFCOC-IDRAQACASA-N 0 0 381.463 4.142 40 0 GIABRN COc1ccccc1C(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257317240 212024707 /nfs/dbraw/zinc/02/47/07/212024707.db2.gz VIXRGSJILNTQGE-SFHVURJKSA-N 0 0 376.456 4.294 40 0 GIABRN CC[C@@H](CO)NC(=O)C1(Cc2ccc(-c3cc(C)cc(C)c3)cc2)CCOCC1 ZINC000257344036 212027236 /nfs/dbraw/zinc/02/72/36/212027236.db2.gz ZVMMDSJREUSTHU-QHCPKHFHSA-N 0 0 395.543 4.197 40 0 GIABRN O=C(COc1cccc(F)c1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257325632 212026704 /nfs/dbraw/zinc/02/67/04/212026704.db2.gz WTTLAUZOCQWNMT-GOSISDBHSA-N 0 0 394.446 4.190 40 0 GIABRN Cc1cccnc1Nc1cccc(C2CCN(C(=O)C[C@H]3CCCCO3)CC2)n1 ZINC000257326459 212026060 /nfs/dbraw/zinc/02/60/60/212026060.db2.gz WXHFDKXOVSLTNU-LJQANCHMSA-N 0 0 394.519 4.194 40 0 GIABRN O=C(c1cccc(=O)[nH]1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257321378 212023655 /nfs/dbraw/zinc/02/36/55/212023655.db2.gz WBKRPPZSDHNWLZ-HNNXBMFYSA-N 0 0 397.862 4.039 40 0 GIABRN COCCC(=O)N[C@]1(C)C[C@H](c2ccc(C)cc2OC)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257307824 212022007 /nfs/dbraw/zinc/02/20/07/212022007.db2.gz TUHLEWPWTJIYSE-DDRMBWNKSA-N 0 0 389.536 4.181 40 0 GIABRN C[C@H](O)[C@@H](O)[C@H](Nc1ccc(OC2CCCC2)cc1)c1ccc(F)c(F)c1 ZINC000257297092 212019375 /nfs/dbraw/zinc/01/93/75/212019375.db2.gz RFUPCNCCAHIVBZ-JDORSLCVSA-N 0 0 377.431 4.181 40 0 GIABRN Cc1noc(C)c1CC(=O)N1CC[C@@H](Nc2cccc(F)c2)[C@@H](CC(C)C)C1 ZINC000257297523 212019406 /nfs/dbraw/zinc/01/94/06/212019406.db2.gz RHQPBZPNCOEJCX-LAUBAEHRSA-N 0 0 387.499 4.348 40 0 GIABRN Cn1cncc1C1CC[NH+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)CC1 ZINC000257302321 212019048 /nfs/dbraw/zinc/01/90/48/212019048.db2.gz SCMCXWPNCIQDCC-UHFFFAOYSA-N 0 0 375.472 4.165 40 0 GIABRN CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc5c(c4)OCCO5)OCC[C@@]31C2 ZINC000257289665 212018648 /nfs/dbraw/zinc/01/86/48/212018648.db2.gz PZRHYKDBLVOAAE-NCVSSENKSA-N 0 0 399.531 4.112 40 0 GIABRN COCCC(=O)N[C@@]1(C)C[C@H](c2c(F)cccc2F)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257289186 212018018 /nfs/dbraw/zinc/01/80/18/212018018.db2.gz PXJLKUJNMWAZAY-ZVPPYCNOSA-N 0 0 381.463 4.142 40 0 GIABRN Cn1ccnc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257278704 212015948 /nfs/dbraw/zinc/01/59/48/212015948.db2.gz ODHRQDZUFFOWSX-KRWDZBQOSA-N 0 0 384.867 4.020 40 0 GIABRN COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)c4scnc4C)C3)o2)cc1 ZINC000257270942 212013650 /nfs/dbraw/zinc/01/36/50/212013650.db2.gz MWGPCANVMGGMJH-INIZCTEOSA-N 0 0 397.500 4.059 40 0 GIABRN O=C(c1ccncc1)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 ZINC000257252003 212010595 /nfs/dbraw/zinc/01/05/95/212010595.db2.gz JTEPYOCIRXPFEP-AZUAARDMSA-N 0 0 398.890 4.270 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2cccc(Br)c2)cc(-c2cccnc2)n1 ZINC000329058963 209159856 /nfs/dbraw/zinc/15/98/56/209159856.db2.gz WECOXFOFPATVFC-CYBMUJFWSA-N 0 0 398.308 4.099 40 0 GIABRN Cc1ccc(N2CCC([N@@H+](CC(=O)[O-])Cc3ccc(OC(C)C)cc3)CC2)cc1 ZINC000257236612 212009631 /nfs/dbraw/zinc/00/96/31/212009631.db2.gz HCZBAMSMRBVQBY-UHFFFAOYSA-N 0 0 396.531 4.338 40 0 GIABRN Cc1ccc(Nc2cc(-c3ccccc3)nc(NC3CC3)n2)c(Br)c1 ZINC000329064670 209159528 /nfs/dbraw/zinc/15/95/28/209159528.db2.gz XLIKTBGDRITNBY-UHFFFAOYSA-N 0 0 395.304 4.376 40 0 GIABRN Clc1ccc(CNc2cc(-c3cccnc3)nc(NC3CCCC3)n2)cc1 ZINC000329061243 209159457 /nfs/dbraw/zinc/15/94/57/209159457.db2.gz WPLPEKRFESWPMV-UHFFFAOYSA-N 0 0 379.895 4.002 40 0 GIABRN Cc1ccccc1OCC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257235150 212008923 /nfs/dbraw/zinc/00/89/23/212008923.db2.gz GWRAWGTZKYPHPJ-FQEVSTJZSA-N 0 0 390.483 4.359 40 0 GIABRN Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCCN2C(=O)c2ncccc2C)n1 ZINC000257236315 212008635 /nfs/dbraw/zinc/00/86/35/212008635.db2.gz HBOJSCAXSZUOKX-SFHVURJKSA-N 0 0 391.475 4.128 40 0 GIABRN Cc1ncoc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257233464 212007848 /nfs/dbraw/zinc/00/78/48/212007848.db2.gz GPJIXRJZPODPFP-OAHLLOKOSA-N 0 0 385.851 4.235 40 0 GIABRN Cc1cc(Nc2cc(-c3ccncc3)nc(N[C@H](CO)C(C)C)n2)ccc1F ZINC000329033834 209158073 /nfs/dbraw/zinc/15/80/73/209158073.db2.gz QWJXYROQJATQCP-LJQANCHMSA-N 0 0 381.455 4.159 40 0 GIABRN COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3ccccn3)o2)c1 ZINC000257230984 212007586 /nfs/dbraw/zinc/00/75/86/212007586.db2.gz GESKPUBZXUOXLW-HXUWFJFHSA-N 0 0 377.444 4.036 40 0 GIABRN COc1ccc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)cn1 ZINC000257214971 212005979 /nfs/dbraw/zinc/00/59/79/212005979.db2.gz CODBEDCNQKXHFN-LJQANCHMSA-N 0 0 377.444 4.036 40 0 GIABRN COc1cccc(Nc2ncccc2C(=O)N2CCCC[C@H]2c2n[nH]cc2C)c1 ZINC000257211925 212003078 /nfs/dbraw/zinc/00/30/78/212003078.db2.gz CBCQZTQRKGVHMX-IBGZPJMESA-N 0 0 391.475 4.233 40 0 GIABRN Brc1ccc2c(c1)CN(c1cc(NC3CC3)nc(C3CC3)n1)CC2 ZINC000329041381 209157033 /nfs/dbraw/zinc/15/70/33/209157033.db2.gz SJEIDXTWPFNCMD-UHFFFAOYSA-N 0 0 385.309 4.254 40 0 GIABRN C[C@@H](O)c1ccc2c(c1)CCN(c1cc(C3CC3)nc(NC3CCCCC3)n1)C2 ZINC000328994478 209155749 /nfs/dbraw/zinc/15/57/49/209155749.db2.gz JEHCXGAXTBQJHM-MRXNPFEDSA-N 0 0 392.547 4.137 40 0 GIABRN CC1CCN(C(=O)c2cc(Cl)c(I)c(Cl)c2)CC1 ZINC000059842958 211948839 /nfs/dbraw/zinc/94/88/39/211948839.db2.gz NCHLNNCBVHOAAG-UHFFFAOYSA-N 0 0 398.071 4.470 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)CCc2c(OC)cccc2OC)cc1 ZINC000225995936 211937075 /nfs/dbraw/zinc/93/70/75/211937075.db2.gz YJRYJIJCUCWFPG-UHFFFAOYSA-N 0 0 385.460 4.232 40 0 GIABRN Cc1cc(N2CCCCCC2)nc(NC(=S)NCc2ccccc2Cl)n1 ZINC000225938387 211936037 /nfs/dbraw/zinc/93/60/37/211936037.db2.gz ZXEFBKGTLGFDAI-UHFFFAOYSA-N 0 0 389.956 4.305 40 0 GIABRN CCOC(=O)C1(c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)CC1 ZINC000225898227 211934445 /nfs/dbraw/zinc/93/44/45/211934445.db2.gz ZLCWASXDSQZYAC-UHFFFAOYSA-N 0 0 376.412 4.189 40 0 GIABRN CCCOC1(C(=O)Nc2ccc(OCC)c(C(=O)OC)c2)CCCCCC1 ZINC000225852372 211933699 /nfs/dbraw/zinc/93/36/99/211933699.db2.gz YXLKFABUGUBZTE-UHFFFAOYSA-N 0 0 377.481 4.330 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=S)NC2(c3ccccn3)CCCC2)c1 ZINC000225864268 211933493 /nfs/dbraw/zinc/93/34/93/211933493.db2.gz CZMANGNCMBYQGT-UHFFFAOYSA-N 0 0 383.517 4.323 40 0 GIABRN COc1cccc(-c2noc(CNC(=S)Nc3ccc(OC(C)C)cc3)n2)c1 ZINC000225822880 211930063 /nfs/dbraw/zinc/93/00/63/211930063.db2.gz IAUFRPCLJVYIGT-UHFFFAOYSA-N 0 0 398.488 4.019 40 0 GIABRN Cc1ccc(Cl)cc1Nc1cc(-c2ccccn2)nc(N[C@@H](CO)C(C)C)n1 ZINC000328982172 209154841 /nfs/dbraw/zinc/15/48/41/209154841.db2.gz GYFSPXGXSJCGTI-IBGZPJMESA-N 0 0 397.910 4.095 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)c1 ZINC000225507392 211902271 /nfs/dbraw/zinc/90/22/71/211902271.db2.gz QADSQXALNBVPMQ-QGZVFWFLSA-N 0 0 386.923 4.133 40 0 GIABRN CCOC(=O)c1cccc(NC(=O)Cc2cccc(Br)c2)c1C ZINC000225617114 211910801 /nfs/dbraw/zinc/91/08/01/211910801.db2.gz GCILJCOLLLROOD-UHFFFAOYSA-N 0 0 376.250 4.115 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)NCCCSCc2ccco2)c1 ZINC000225594323 211908356 /nfs/dbraw/zinc/90/83/56/211908356.db2.gz UPCPWZNPLLZLHE-UHFFFAOYSA-N 0 0 398.937 4.330 40 0 GIABRN CCN(CC)S(=O)(=O)c1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1 ZINC000225463392 211898588 /nfs/dbraw/zinc/89/85/88/211898588.db2.gz AEDVXTMWRQJZGM-UHFFFAOYSA-N 0 0 397.953 4.179 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225444640 211896776 /nfs/dbraw/zinc/89/67/76/211896776.db2.gz JKJFWTBKHVRQOD-RTWAWAEBSA-N 0 0 394.559 4.220 40 0 GIABRN COC(=O)c1cccc(NC(=S)NCCSCc2ccccc2F)c1C ZINC000225412826 211894424 /nfs/dbraw/zinc/89/44/24/211894424.db2.gz MHEGKXYOFUUBIQ-UHFFFAOYSA-N 0 0 392.521 4.141 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225273165 211890101 /nfs/dbraw/zinc/89/01/01/211890101.db2.gz KLZOQJYGZVKSGB-QFIPXVFZSA-N 0 0 398.522 4.319 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225247194 211888705 /nfs/dbraw/zinc/88/87/05/211888705.db2.gz OLQNARZWBJLGCX-MOPGFXCFSA-N 0 0 398.522 4.317 40 0 GIABRN COC(=O)c1cc(NC(=S)NCCSc2ccccc2)ccc1Cl ZINC000225284846 211888591 /nfs/dbraw/zinc/88/85/91/211888591.db2.gz GECARUQFUPHCJR-UHFFFAOYSA-N 0 0 380.922 4.205 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225193930 211888213 /nfs/dbraw/zinc/88/82/13/211888213.db2.gz KHEMROMKJILOBT-QHCPKHFHSA-N 0 0 394.559 4.488 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2cccnc2)n1 ZINC000328961959 209154016 /nfs/dbraw/zinc/15/40/16/209154016.db2.gz BGENSBPJTYWXTM-CYBMUJFWSA-N 0 0 387.409 4.355 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 ZINC000225157427 211885875 /nfs/dbraw/zinc/88/58/75/211885875.db2.gz XRKCUFHDCUQBQE-JOCHJYFZSA-N 0 0 380.532 4.180 40 0 GIABRN CC(C)n1c(=O)sc2cc(NC(=O)/C=C/c3ccc4c(c3)OCO4)ccc21 ZINC000225130603 211883652 /nfs/dbraw/zinc/88/36/52/211883652.db2.gz PSIOFYAYJUBCQE-XBXARRHUSA-N 0 0 382.441 4.025 40 0 GIABRN CNc1nc(Nc2cc(C)cc(C)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328980888 209153567 /nfs/dbraw/zinc/15/35/67/209153567.db2.gz GQXSNBGCJUCYMC-UHFFFAOYSA-N 0 0 388.393 4.288 40 0 GIABRN CCOC(=O)c1cc(NC(=S)NCCSCc2ccco2)ccc1Cl ZINC000225348612 211891383 /nfs/dbraw/zinc/89/13/83/211891383.db2.gz RHXDZDZIZPDTGR-UHFFFAOYSA-N 0 0 398.937 4.330 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccco2)N1CCCNc1ccccc1 ZINC000225033310 211879843 /nfs/dbraw/zinc/87/98/43/211879843.db2.gz SWBUZKFUYRLNTK-UXHICEINSA-N 0 0 378.501 4.149 40 0 GIABRN COc1cccc(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1OC ZINC000225046878 211879680 /nfs/dbraw/zinc/87/96/80/211879680.db2.gz RMKUZYUEZHDVBL-UHFFFAOYSA-N 0 0 395.430 4.352 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C)c(C)c1 ZINC000224995878 211878884 /nfs/dbraw/zinc/87/88/84/211878884.db2.gz AQQFJYKDYWMTIM-WOJBJXKFSA-N 0 0 396.531 4.014 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(CC)cc1 ZINC000224874376 211875541 /nfs/dbraw/zinc/87/55/41/211875541.db2.gz ZNNMSTFQIZTNGK-GOSISDBHSA-N 0 0 398.522 4.264 40 0 GIABRN COc1ccc(-c2cnc(CCC(=O)Nc3ccc(F)cc3F)o2)c(OC)c1 ZINC000224868209 211875223 /nfs/dbraw/zinc/87/52/23/211875223.db2.gz KUFXIFOMJXSRON-UHFFFAOYSA-N 0 0 388.370 4.208 40 0 GIABRN COc1ccc(CNC(=O)c2ccc(OC)c(COCc3ccccc3)c2)cc1 ZINC000224458008 211863128 /nfs/dbraw/zinc/86/31/28/211863128.db2.gz YLGJARVPBSHGPF-UHFFFAOYSA-N 0 0 391.467 4.351 40 0 GIABRN CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1cccc2c1CCCC2 ZINC000224404646 211861345 /nfs/dbraw/zinc/86/13/45/211861345.db2.gz GQPGMJKLKOTUOB-GOSISDBHSA-N 0 0 381.516 4.480 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)cc1 ZINC000224151335 211856323 /nfs/dbraw/zinc/85/63/23/211856323.db2.gz WKQHYVIXSCQYDC-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN Cc1cc(C(=O)N(C)c2ccccc2)ccc1N(C)S(=O)(=O)c1ccccc1 ZINC000224196998 211855813 /nfs/dbraw/zinc/85/58/13/211855813.db2.gz IQQOAAXLIZLJEH-UHFFFAOYSA-N 0 0 394.496 4.097 40 0 GIABRN COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 ZINC000224374511 211861073 /nfs/dbraw/zinc/86/10/73/211861073.db2.gz UWWXWOJEGRADLP-QZTJIDSGSA-N 0 0 385.504 4.478 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 ZINC000224310188 211859544 /nfs/dbraw/zinc/85/95/44/211859544.db2.gz YUAHEYODVLTUTL-HXUWFJFHSA-N 0 0 386.923 4.134 40 0 GIABRN COc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccc2ccccc2c1 ZINC000224310835 211859411 /nfs/dbraw/zinc/85/94/11/211859411.db2.gz XREIYGKJEYVESJ-JOCHJYFZSA-N 0 0 391.467 4.336 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)cc1C ZINC000224302920 211859218 /nfs/dbraw/zinc/85/92/18/211859218.db2.gz CDUNROUZDPMGKF-LJQANCHMSA-N 0 0 398.522 4.175 40 0 GIABRN COc1ccc(CNC(=O)c2ccc(OC)c(COc3ccccc3)c2)cc1 ZINC000224083956 211851827 /nfs/dbraw/zinc/85/18/27/211851827.db2.gz UAVFAQDILVTJTI-UHFFFAOYSA-N 0 0 377.440 4.213 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 ZINC000224125624 211854019 /nfs/dbraw/zinc/85/40/19/211854019.db2.gz NZYPUNXBAMISTE-NRFANRHFSA-N 0 0 398.572 4.253 40 0 GIABRN C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCc1ccccc1 ZINC000224079900 211852875 /nfs/dbraw/zinc/85/28/75/211852875.db2.gz YLQNHYRXVZPMLE-FQEVSTJZSA-N 0 0 392.543 4.138 40 0 GIABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccs2)cc1 ZINC000223882540 211846754 /nfs/dbraw/zinc/84/67/54/211846754.db2.gz WEVOANVJZFDUAO-OALUTQOASA-N 0 0 380.542 4.386 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223770591 211843905 /nfs/dbraw/zinc/84/39/05/211843905.db2.gz HHBQIZHEOJDTMS-QGZVFWFLSA-N 0 0 386.923 4.053 40 0 GIABRN S=C(NCC1(c2ccc(Cl)cc2)CCOCC1)Nc1ccc(Cl)cn1 ZINC000224015045 211849424 /nfs/dbraw/zinc/84/94/24/211849424.db2.gz SWQFQQABMVBDSS-UHFFFAOYSA-N 0 0 396.343 4.423 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 ZINC000223675104 211841268 /nfs/dbraw/zinc/84/12/68/211841268.db2.gz GTIHOPKYFBMNRE-LJQANCHMSA-N 0 0 380.532 4.043 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NC(C)C)cc1 ZINC000223420968 211832955 /nfs/dbraw/zinc/83/29/55/211832955.db2.gz FXOJTCBDZKQWIU-UHFFFAOYSA-N 0 0 390.505 4.181 40 0 GIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)NCCOc1ccc2ccccc2c1 ZINC000223623211 211837775 /nfs/dbraw/zinc/83/77/75/211837775.db2.gz FQYIQPPMWUQMTP-QFIPXVFZSA-N 0 0 379.456 4.201 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C ZINC000223448345 211832664 /nfs/dbraw/zinc/83/26/64/211832664.db2.gz JYKKMQLOKVWFKL-OAQYLSRUSA-N 0 0 398.522 4.399 40 0 GIABRN CC[C@H](NC(=O)COc1cccc2c1CCCC2)c1ccc(OC)c(OC)c1 ZINC000223192968 211825839 /nfs/dbraw/zinc/82/58/39/211825839.db2.gz HFVVFGGQLXANGT-IBGZPJMESA-N 0 0 383.488 4.229 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1F ZINC000223223950 211825322 /nfs/dbraw/zinc/82/53/22/211825322.db2.gz PCCCUVLSLQFPDF-NRFANRHFSA-N 0 0 398.522 4.399 40 0 GIABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000222974188 211817707 /nfs/dbraw/zinc/81/77/07/211817707.db2.gz NXJBNHRJNGLYLL-SFHVURJKSA-N 0 0 379.460 4.169 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 ZINC000223092919 211821654 /nfs/dbraw/zinc/82/16/54/211821654.db2.gz JHBUJFWMFUTVNJ-FQEVSTJZSA-N 0 0 380.532 4.180 40 0 GIABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000223010612 211819931 /nfs/dbraw/zinc/81/99/31/211819931.db2.gz GALMOZDUJHNDFY-SFHVURJKSA-N 0 0 391.895 4.182 40 0 GIABRN COc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1OC ZINC000222854379 211813565 /nfs/dbraw/zinc/81/35/65/211813565.db2.gz UWKAGFJDJALAGY-HNNXBMFYSA-N 0 0 391.895 4.182 40 0 GIABRN O=C(CSCc1ccccc1F)Nc1ccccc1C(=O)NCc1ccco1 ZINC000222701326 211807862 /nfs/dbraw/zinc/80/78/62/211807862.db2.gz GUYGTYNPCJEZQJ-UHFFFAOYSA-N 0 0 398.459 4.221 40 0 GIABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 ZINC000222659247 211806781 /nfs/dbraw/zinc/80/67/81/211806781.db2.gz PLTOPNOXEKEWAV-IBGZPJMESA-N 0 0 396.531 4.178 40 0 GIABRN Cc1cccc(N(CCCC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)c1C ZINC000222626994 211804544 /nfs/dbraw/zinc/80/45/44/211804544.db2.gz GCBREGGPFAMNRK-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000222711215 211808773 /nfs/dbraw/zinc/80/87/73/211808773.db2.gz XBCVXRYESYJIQR-GUYCJALGSA-N 0 0 375.852 4.146 40 0 GIABRN CCSc1ccccc1C(=O)N[C@@H](CC)c1ccc(S(C)(=O)=O)cc1 ZINC000219651308 211775755 /nfs/dbraw/zinc/77/57/55/211775755.db2.gz JWQVGWZRPZWLOX-KRWDZBQOSA-N 0 0 377.531 4.083 40 0 GIABRN CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219566307 211773843 /nfs/dbraw/zinc/77/38/43/211773843.db2.gz ZVEFAMIYBUYUJR-QZTJIDSGSA-N 0 0 399.487 4.280 40 0 GIABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(-c2cccs2)no1 ZINC000219353487 211771278 /nfs/dbraw/zinc/77/12/78/211771278.db2.gz KMIJTHZKRTUSBM-KRWDZBQOSA-N 0 0 393.468 4.425 40 0 GIABRN CCc1ccccc1O[C@@H](C)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000219296903 211769020 /nfs/dbraw/zinc/76/90/20/211769020.db2.gz CGJWVDFEAYPOIE-INIZCTEOSA-N 0 0 379.460 4.033 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cc(C)cc(C)c3C)n2)cc1 ZINC000219304459 211768517 /nfs/dbraw/zinc/76/85/17/211768517.db2.gz ARFMCEOFXXANQH-GOSISDBHSA-N 0 0 393.487 4.396 40 0 GIABRN CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219328981 211768015 /nfs/dbraw/zinc/76/80/15/211768015.db2.gz FCFZENJLXLAFBK-INIZCTEOSA-N 0 0 389.814 4.003 40 0 GIABRN Cc1ccc(SCCNC(=O)COc2ccc(Br)c(C)c2)cc1 ZINC000218821132 211763168 /nfs/dbraw/zinc/76/31/68/211763168.db2.gz WAGINTUUADUVAA-UHFFFAOYSA-N 0 0 394.334 4.353 40 0 GIABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000219203184 211766280 /nfs/dbraw/zinc/76/62/80/211766280.db2.gz LRMYJKCVRNGRAS-OAQYLSRUSA-N 0 0 380.488 4.339 40 0 GIABRN COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)c1cccc(F)c1 ZINC000013777100 211702201 /nfs/dbraw/zinc/70/22/01/211702201.db2.gz WBMRCZDDGIOYSR-UNWVZKJWSA-N 0 0 383.463 4.343 40 0 GIABRN O=C(CSc1nnc(-c2ccc(O)cc2)n1Cc1ccco1)c1ccccc1 ZINC000013126017 211697946 /nfs/dbraw/zinc/69/79/46/211697946.db2.gz RFQYUDBIZBPLKN-UHFFFAOYSA-N 0 0 391.452 4.267 40 0 GIABRN CCn1c(SCCCOc2ccc(C=O)cc2)nnc1-c1ccc(OC)cc1 ZINC000008731800 211630192 /nfs/dbraw/zinc/63/01/92/211630192.db2.gz FQDSGMSGLORIAT-UHFFFAOYSA-N 0 0 397.500 4.347 40 0 GIABRN C[C@H](CCc1ccccc1)NC(=O)c1cccc(I)c1 ZINC000005674141 211623788 /nfs/dbraw/zinc/62/37/88/211623788.db2.gz CIOPFQQWXUEIAF-CYBMUJFWSA-N 0 0 379.241 4.042 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@@H]3c2ccsc2)cc1 ZINC000006679347 211581030 /nfs/dbraw/zinc/58/10/30/211581030.db2.gz JRMNTEYAGGNEOF-SJKOYZFVSA-N 0 0 385.514 4.414 40 0 GIABRN O=C(c1ccc2c(c1)sc1nc(-c3ccccc3)c(Cl)n21)N1CCOCC1 ZINC000005520627 211568796 /nfs/dbraw/zinc/56/87/96/211568796.db2.gz JGZONLNWRWOXMO-UHFFFAOYSA-N 0 0 397.887 4.342 40 0 GIABRN O=C(Nc1cccc(F)c1)NC1(C(=O)Nc2ccc3c(c2)OCO3)CCCCC1 ZINC000004981905 211559786 /nfs/dbraw/zinc/55/97/86/211559786.db2.gz AHDPBJMSSSKYDM-UHFFFAOYSA-N 0 0 399.422 4.018 40 0 GIABRN C[C@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2CCc1ccccc1)c1ccccc1 ZINC000005001861 211558782 /nfs/dbraw/zinc/55/87/82/211558782.db2.gz NYPGTJZIXVMKMO-KRWDZBQOSA-N 0 0 385.467 4.063 40 0 GIABRN Cc1ccc([C@@H](OC(=O)c2cccs2)C(=O)NCCc2ccccc2)cc1 ZINC000004901487 211551584 /nfs/dbraw/zinc/55/15/84/211551584.db2.gz BCYMLMSHUVVVRF-HXUWFJFHSA-N 0 0 379.481 4.314 40 0 GIABRN C[C@@H]1CCCCN1C(=O)CSc1nnc2c3ccccc3nc(C(C)(C)C)n12 ZINC000004898229 211551132 /nfs/dbraw/zinc/55/11/32/211551132.db2.gz BCKGYXDBMDASFH-CQSZACIVSA-N 0 0 397.548 4.068 40 0 GIABRN Cc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000004953346 211556770 /nfs/dbraw/zinc/55/67/70/211556770.db2.gz BATUCIUOXOYVGZ-SFHVURJKSA-N 0 0 385.920 4.388 40 0 GIABRN CCCCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cccnc1 ZINC000004161404 211533185 /nfs/dbraw/zinc/53/31/85/211533185.db2.gz DHIYYINZKKVGCC-UHFFFAOYSA-N 0 0 381.505 4.179 40 0 GIABRN CCCCOc1ccc(-c2nnn(CC(=O)Nc3c(C)cccc3CC)n2)cc1 ZINC000004130062 211530431 /nfs/dbraw/zinc/53/04/31/211530431.db2.gz XOUCZFNNCHCRHO-UHFFFAOYSA-N 0 0 393.491 4.029 40 0 GIABRN O=C(CCCOc1ccc(Cl)cc1Cl)NCc1nc2ccccc2[nH]1 ZINC000002886619 211519014 /nfs/dbraw/zinc/51/90/14/211519014.db2.gz NDFMJLQGYKZFHI-UHFFFAOYSA-N 0 0 378.259 4.345 40 0 GIABRN CC(C)(C)c1ccc(C(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)cc1 ZINC000001380797 211510342 /nfs/dbraw/zinc/51/03/42/211510342.db2.gz FYANKAXXGDDMSJ-UHFFFAOYSA-N 0 0 380.467 4.345 40 0 GIABRN O=C(NCc1ccc(F)cc1)[C@@H](OC(=O)c1cccs1)c1ccccc1F ZINC000001381268 211509277 /nfs/dbraw/zinc/50/92/77/211509277.db2.gz NNGHNFUUWAWQHN-SFHVURJKSA-N 0 0 387.407 4.241 40 0 GIABRN CC(C)c1nc2sc3c(c2c(SCC(=O)N2CCCC2)n1)CCCC3 ZINC000001377463 211507563 /nfs/dbraw/zinc/50/75/63/211507563.db2.gz MGOBFXXOWALDES-UHFFFAOYSA-N 0 0 375.563 4.408 40 0 GIABRN CC(=O)N1CCc2cc(-c3nc(NC(=O)c4cccc(F)c4)sc3C)ccc21 ZINC000001365544 211507656 /nfs/dbraw/zinc/50/76/56/211507656.db2.gz FMUWLRFZNDWNHL-UHFFFAOYSA-N 0 0 395.459 4.419 40 0 GIABRN CCC(=O)N(Cc1ccc(OC)cc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000001359362 211506313 /nfs/dbraw/zinc/50/63/13/211506313.db2.gz FHCZPVCSUXTXRK-UHFFFAOYSA-N 0 0 378.472 4.038 40 0 GIABRN Cc1sc2nc(C(C)C)nc(SCC(=O)NCc3ccco3)c2c1C ZINC000001340356 211505806 /nfs/dbraw/zinc/50/58/06/211505806.db2.gz WAHPJBAGIMUMAI-UHFFFAOYSA-N 0 0 375.519 4.433 40 0 GIABRN COc1ccccc1NC(=O)CSc1nnc(CNc2ccc(C)cc2C)o1 ZINC000000925224 211497985 /nfs/dbraw/zinc/49/79/85/211497985.db2.gz WCDNLFGXTIIWBP-UHFFFAOYSA-N 0 0 398.488 4.038 40 0 GIABRN COc1ccc2cc(C)c(SCC(=O)Nc3ccc(NC(C)=O)cc3)nc2c1 ZINC000000932991 211497539 /nfs/dbraw/zinc/49/75/39/211497539.db2.gz JDMBLXHMWKBTIW-UHFFFAOYSA-N 0 0 395.484 4.241 40 0 GIABRN Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)N3CCC(C)CC3)n12 ZINC000000903021 211496758 /nfs/dbraw/zinc/49/67/58/211496758.db2.gz GEEJDDAIXPNUMO-UHFFFAOYSA-N 0 0 382.533 4.158 40 0 GIABRN COc1ccc2cc(C)c3nnc(SCC(=O)Nc4ccccc4F)n3c2c1 ZINC000000877285 211494467 /nfs/dbraw/zinc/49/44/67/211494467.db2.gz KWXAZRLRBYKJLM-UHFFFAOYSA-N 0 0 396.447 4.069 40 0 GIABRN Cc1ccc(NC(=O)CSc2nnc3c4cc(C)cc(C)c4[nH]c3n2)c(C)c1 ZINC000000877601 211493933 /nfs/dbraw/zinc/49/39/33/211493933.db2.gz PHBUTPMBBYZKSJ-UHFFFAOYSA-N 0 0 391.500 4.471 40 0 GIABRN Cc1cc(C)cc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c1 ZINC000113962544 211470027 /nfs/dbraw/zinc/47/00/27/211470027.db2.gz IZFVKIPLUDORTP-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN Cc1cc(C)c(N2C(=O)C[C@H](Nc3ccc(Br)cc3)C2=O)c(C)c1 ZINC000101275643 211396097 /nfs/dbraw/zinc/39/60/97/211396097.db2.gz GNQOVVCSSXMMKC-INIZCTEOSA-N 0 0 387.277 4.118 40 0 GIABRN COc1ccc(C(F)(F)F)cc1NC=Cc1nnnn1-c1ccc(Cl)cc1 ZINC000100960932 211395186 /nfs/dbraw/zinc/39/51/86/211395186.db2.gz OJRUUWOIFXPLAJ-HJWRWDBZSA-N 0 0 395.772 4.426 40 0 GIABRN Cc1nc(C)n([C@@H](C)Cc2cc(=O)n3nc(-c4cccc(Cl)c4)c(C)c3[nH]2)n1 ZINC000100776247 211391191 /nfs/dbraw/zinc/39/11/91/211391191.db2.gz KIVGLNFVQARRRJ-NSHDSACASA-N 0 0 396.882 4.076 40 0 GIABRN CC(=O)NC[C@H]1CC[C@H](c2c3ccccc3sc2C(=O)NCC2CC2)CC1 ZINC000100658100 211388441 /nfs/dbraw/zinc/38/84/41/211388441.db2.gz NCGQJAOKNSRDPS-CALCHBBNSA-N 0 0 384.545 4.451 40 0 GIABRN Fc1ccc(NC=Cc2nnnn2-c2ccc(Br)cc2)cc1Cl ZINC000100662000 211388062 /nfs/dbraw/zinc/38/80/62/211388062.db2.gz KYQSJWBCPZGSLG-FPLPWBNLSA-N 0 0 394.635 4.300 40 0 GIABRN O=C(CCc1ccccc1)NC[C@H]1CC[C@H](c2nnc(-c3cccnc3)o2)CC1 ZINC000100155856 211384227 /nfs/dbraw/zinc/38/42/27/211384227.db2.gz YFUHEOOIGJDURP-KDURUIRLSA-N 0 0 390.487 4.154 40 0 GIABRN CCc1ccc([C@H](C)NS(=O)(=O)c2cc(Br)ccc2OC)cc1 ZINC000223308913 211365191 /nfs/dbraw/zinc/36/51/91/211365191.db2.gz YLKZIWARPLCAKI-LBPRGKRZSA-N 0 0 398.322 4.060 40 0 GIABRN O=C(NCCc1ccccc1)c1nc(-c2cn(C3CCCC3)cn2)n2ccccc12 ZINC000096266940 211328647 /nfs/dbraw/zinc/32/86/47/211328647.db2.gz FMDQEYUQTJUYAO-UHFFFAOYSA-N 0 0 399.498 4.285 40 0 GIABRN CC[C@@H](CO)NC(=O)c1cnc(-c2noc3cc(-c4ccccc4)ccc32)s1 ZINC000096154527 211312516 /nfs/dbraw/zinc/31/25/16/211312516.db2.gz QZKLENQBDBCAAM-HNNXBMFYSA-N 0 0 393.468 4.119 40 0 GIABRN O=C(NCc1cccc(F)c1)c1cc2c(s1)CCN2C(=O)c1ccccc1 ZINC000096146787 211310519 /nfs/dbraw/zinc/31/05/19/211310519.db2.gz DVKFNYKYVOKHTJ-UHFFFAOYSA-N 0 0 380.444 4.020 40 0 GIABRN O=C(NCCc1ccccc1)c1cc2c(s1)CCN2C(=O)c1ccc(F)cc1 ZINC000096146801 211310047 /nfs/dbraw/zinc/31/00/47/211310047.db2.gz XMBPLYFURWTXKS-UHFFFAOYSA-N 0 0 394.471 4.063 40 0 GIABRN Cc1ccc(CNC(=O)c2c3ccccn3c3ncnc(-c4ccccc4)c32)o1 ZINC000096146671 211309866 /nfs/dbraw/zinc/30/98/66/211309866.db2.gz MZNOKSGDLCJWRY-UHFFFAOYSA-N 0 0 382.423 4.381 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)CSCc3ccc(F)cc3)n2)cc1 ZINC000096257927 211324653 /nfs/dbraw/zinc/32/46/53/211324653.db2.gz RPUUDKFOYLZWGC-UHFFFAOYSA-N 0 0 385.464 4.076 40 0 GIABRN CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)c3ccco3)CC2)c2ccccc21 ZINC000096242324 211323008 /nfs/dbraw/zinc/32/30/08/211323008.db2.gz XSKQXRLPVQGEBW-SFHVURJKSA-N 0 0 394.515 4.199 40 0 GIABRN Cc1nc(-c2noc3ccc(C(=O)NCc4ccc(F)c(F)c4)cc32)cs1 ZINC000096037847 211296753 /nfs/dbraw/zinc/29/67/53/211296753.db2.gz XWBCSGQXXSRNKV-UHFFFAOYSA-N 0 0 385.395 4.468 40 0 GIABRN CCOc1cc(C=O)ccc1OCc1nc(-c2ccccc2OC(F)F)no1 ZINC000089263034 211179370 /nfs/dbraw/zinc/17/93/70/211179370.db2.gz MMJXDEYPNNHJEF-UHFFFAOYSA-N 0 0 390.342 4.128 40 0 GIABRN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1ccccc1C ZINC000082086741 211159461 /nfs/dbraw/zinc/15/94/61/211159461.db2.gz VRFLGUPWALIDKC-OAQYLSRUSA-N 0 0 377.488 4.497 40 0 GIABRN Cc1nc(NCC2(c3ccccc3)CCOCC2)cc(-c2cc(C(C)C)[nH]n2)n1 ZINC000072373324 211102954 /nfs/dbraw/zinc/10/29/54/211102954.db2.gz JVERPFUDLSJSMI-UHFFFAOYSA-N 0 0 391.519 4.459 40 0 GIABRN O=C(c1ccccc1)N1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371226 211102218 /nfs/dbraw/zinc/10/22/18/211102218.db2.gz JRUGVNQKBHURDO-QGZVFWFLSA-N 0 0 395.890 4.314 40 0 GIABRN Cc1cccc(-c2ccc(C[C@@H]3CN(C(=O)c4ccccc4)CCNC3=O)cc2)c1 ZINC000072391035 211111221 /nfs/dbraw/zinc/11/12/21/211111221.db2.gz TYEOEJCSPZOEPW-XMMPIXPASA-N 0 0 398.506 4.093 40 0 GIABRN Cc1nc(C(=O)N2CCCC[C@@H]2c2nc(C)cc(Oc3ccccc3)n2)co1 ZINC000072384492 211107332 /nfs/dbraw/zinc/10/73/32/211107332.db2.gz NSJKNDCCFOIBEN-GOSISDBHSA-N 0 0 378.432 4.241 40 0 GIABRN CNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)CC(C)C)CC1 ZINC000072345271 211094843 /nfs/dbraw/zinc/09/48/43/211094843.db2.gz IFKDJFIQLFEKDL-UHFFFAOYSA-N 0 0 398.572 4.359 40 0 GIABRN COc1ccc(CN2[C@@H]3CC[C@H]2c2cnc4cc(C(C)(C)C)nn4c2C3)cc1O ZINC000072337381 211094203 /nfs/dbraw/zinc/09/42/03/211094203.db2.gz DESGGRXXSPYQNB-WBVHZDCISA-N 0 0 392.503 4.003 40 0 GIABRN CCc1onc(C)c1-c1nc(NCCc2ccncc2)ncc1-c1ccncc1 ZINC000072342885 211092786 /nfs/dbraw/zinc/09/27/86/211092786.db2.gz FLYIPRFDMQXVCT-UHFFFAOYSA-N 0 0 386.459 4.114 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@@H](c3cncc(Oc4cccc(C)c4)n3)C2)o1 ZINC000072362708 211101113 /nfs/dbraw/zinc/10/11/13/211101113.db2.gz QMGZYVZLFUKURT-QGZVFWFLSA-N 0 0 392.459 4.202 40 0 GIABRN Nc1cccc(C(=O)N2CCC[C@H](c3cccc(-c4ccc(F)cc4)n3)C2)c1 ZINC000072361043 211100895 /nfs/dbraw/zinc/10/08/95/211100895.db2.gz AHYBAXVARMWPJJ-SFHVURJKSA-N 0 0 375.447 4.490 40 0 GIABRN O=C(c1ccncc1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359514 211100308 /nfs/dbraw/zinc/10/03/08/211100308.db2.gz WHUSCJBTBQMOMR-QGZVFWFLSA-N 0 0 378.863 4.212 40 0 GIABRN O=C(c1ccncc1)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358728 211100338 /nfs/dbraw/zinc/10/03/38/211100338.db2.gz WWMDMLAQUAGRER-KRWDZBQOSA-N 0 0 378.863 4.212 40 0 GIABRN O=C(Cc1ccccc1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072358627 211099611 /nfs/dbraw/zinc/09/96/11/211099611.db2.gz AWVCXBODQWWVMV-IBGZPJMESA-N 0 0 375.447 4.231 40 0 GIABRN CCc1ncc(CN2CCC[C@@H]2c2nc(N)ncc2-c2ccc(Cl)cc2)cn1 ZINC000072354926 211099096 /nfs/dbraw/zinc/09/90/96/211099096.db2.gz HAWHEOWQMZIXKE-GOSISDBHSA-N 0 0 394.910 4.069 40 0 GIABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)c2ccc(F)cc2)n1 ZINC000072354629 211098979 /nfs/dbraw/zinc/09/89/79/211098979.db2.gz FYRFGCRYEOUETE-GOSISDBHSA-N 0 0 396.853 4.496 40 0 GIABRN O=C(CN1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1)N1CCCC1 ZINC000072357654 211098853 /nfs/dbraw/zinc/09/88/53/211098853.db2.gz XFRWSXZMDFTCLD-OAQYLSRUSA-N 0 0 383.923 4.085 40 0 GIABRN O=C(Cc1ccccn1)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072349484 211097642 /nfs/dbraw/zinc/09/76/42/211097642.db2.gz SPUYLJFXCPNOGP-LJQANCHMSA-N 0 0 389.474 4.155 40 0 GIABRN Cc1nc(C(=O)N2CCC(c3cccc(Cc4cccc(F)c4)n3)CC2)co1 ZINC000072350462 211097648 /nfs/dbraw/zinc/09/76/48/211097648.db2.gz DWMCPMPOUSERNV-UHFFFAOYSA-N 0 0 379.435 4.128 40 0 GIABRN Cn1nccc1C(=O)N1CCC(c2cccc(Cc3ccccc3Cl)n2)CC1 ZINC000072350045 211096970 /nfs/dbraw/zinc/09/69/70/211096970.db2.gz AVGVHTAELDJEJJ-UHFFFAOYSA-N 0 0 394.906 4.079 40 0 GIABRN O=C(Cc1ccccn1)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072349460 211096577 /nfs/dbraw/zinc/09/65/77/211096577.db2.gz HVUOOIKRJBCHKA-SFHVURJKSA-N 0 0 375.447 4.231 40 0 GIABRN COc1ccc(NC(=O)c2sc3ccccc3c2[C@@H]2CCN(C(C)=O)C2)cc1 ZINC000072352627 211096748 /nfs/dbraw/zinc/09/67/48/211096748.db2.gz DMBQYQIAFYOJEA-OAHLLOKOSA-N 0 0 394.496 4.498 40 0 GIABRN O=C(Cc1ccccn1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072349485 211096403 /nfs/dbraw/zinc/09/64/03/211096403.db2.gz SPUYLJFXCPNOGP-IBGZPJMESA-N 0 0 389.474 4.155 40 0 GIABRN Cc1cc(C(=O)N2CCC[C@H](c3ncncc3-c3ccncc3)C2)c(C2CC2)o1 ZINC000072334706 211091995 /nfs/dbraw/zinc/09/19/95/211091995.db2.gz SXEFCNWBXGGMFS-SFHVURJKSA-N 0 0 388.471 4.337 40 0 GIABRN C[C@@H](OC(C)(C)C)[C@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000071617700 211051788 /nfs/dbraw/zinc/05/17/88/211051788.db2.gz LBVPBNDGSCZOTB-VFNWGFHPSA-N 0 0 383.488 4.090 40 0 GIABRN C[C@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000069428560 211038606 /nfs/dbraw/zinc/03/86/06/211038606.db2.gz QSKUAOSFGQJFBT-ZDUSSCGKSA-N 0 0 377.893 4.471 40 0 GIABRN COc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000044842901 210814088 /nfs/dbraw/zinc/81/40/88/210814088.db2.gz BNRDWTVRYOXMIW-UONOGXRCSA-N 0 0 375.490 4.070 40 0 GIABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000044847813 210814039 /nfs/dbraw/zinc/81/40/39/210814039.db2.gz UGFJPCOCEYOTJJ-FQEVSTJZSA-N 0 0 380.488 4.336 40 0 GIABRN O=C1CCCN1c1cccc(CNC(=S)Nc2cccc(C(F)(F)F)c2)c1 ZINC000044077933 210810803 /nfs/dbraw/zinc/81/08/03/210810803.db2.gz GHFUDTPKVOKMMO-UHFFFAOYSA-N 0 0 393.434 4.319 40 0 GIABRN CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)COc1ccc(OC)cc1 ZINC000038755441 210757216 /nfs/dbraw/zinc/75/72/16/210757216.db2.gz UIHQJXLEJZPADE-KDOFPFPSSA-N 0 0 377.868 4.090 40 0 GIABRN COc1ccc(O[C@H](C)C(=O)NCCSCc2cccc(Cl)c2)cc1 ZINC000408705629 533031248 /nfs/dbraw/zinc/03/12/48/533031248.db2.gz KFFBPAIGQDYSEF-CQSZACIVSA-N 0 0 379.909 4.166 40 0 GIABRN CCn1c(-c2cc(OC)ccc2OC)cs/c1=N\c1ccc(NC(C)=O)cc1 ZINC000028295603 210525717 /nfs/dbraw/zinc/52/57/17/210525717.db2.gz ATIISRVHZGSXEW-LNVKXUELSA-N 0 0 397.500 4.445 40 0 GIABRN Cc1cc(C)c([C@H](C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C ZINC000022540699 210416865 /nfs/dbraw/zinc/41/68/65/210416865.db2.gz LPUHXPYUCFZVDT-AWEZNQCLSA-N 0 0 378.394 4.447 40 0 GIABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000021307618 210380536 /nfs/dbraw/zinc/38/05/36/210380536.db2.gz XXADPWNMLGPMEE-LJQANCHMSA-N 0 0 379.456 4.331 40 0 GIABRN COc1ccccc1[C@H](C)NC(=O)COc1ccc(Br)cc1Cl ZINC000021181156 210380004 /nfs/dbraw/zinc/38/00/04/210380004.db2.gz XGIKWFNHHUSIFN-NSHDSACASA-N 0 0 398.684 4.367 40 0 GIABRN COc1ccc([C@H]2Cc3c(c(C)nn3-c3cccc(C)c3)C(=O)C2)cc1OC ZINC000020632905 210353869 /nfs/dbraw/zinc/35/38/69/210353869.db2.gz SXTRCRMLFXEGCK-KRWDZBQOSA-N 0 0 376.456 4.419 40 0 GIABRN COc1ccc(-n2nc(C)c3c2C[C@H](c2ccc(OC)c(OC)c2)CC3=O)cc1 ZINC000020633134 210353554 /nfs/dbraw/zinc/35/35/54/210353554.db2.gz HWYALZRYCNMUML-INIZCTEOSA-N 0 0 392.455 4.119 40 0 GIABRN CCc1ccc(-n2nc3cc(C)c(NS(=O)(=O)c4ccccc4)cc3n2)cc1 ZINC000020611217 210352737 /nfs/dbraw/zinc/35/27/37/210352737.db2.gz GKSJWIHISSZHLF-UHFFFAOYSA-N 0 0 392.484 4.092 40 0 GIABRN FC(F)(F)c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3cccnc3)n2)cc1 ZINC000067898584 210343364 /nfs/dbraw/zinc/34/33/64/210343364.db2.gz LPMMBTSQUXPOFL-SFHVURJKSA-N 0 0 388.393 4.064 40 0 biogenic,in-vitro GIABRN COc1ccc(S[C@H](C)C(=O)NCCSC2CCCCC2)cc1OC ZINC000020492870 210342099 /nfs/dbraw/zinc/34/20/99/210342099.db2.gz VDFSFVJPNHGENN-CQSZACIVSA-N 0 0 383.579 4.367 40 0 GIABRN COc1cccc(O[C@@H](C)C(=O)NCCSCc2cccc(Cl)c2)c1 ZINC000020495198 210340918 /nfs/dbraw/zinc/34/09/18/210340918.db2.gz LTZHNJBVZJYODX-AWEZNQCLSA-N 0 0 379.909 4.166 40 0 GIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(-n2ccnc2C)cc1 ZINC000020456218 210338445 /nfs/dbraw/zinc/33/84/45/210338445.db2.gz WIFWEXWGOSIGAF-LJQANCHMSA-N 0 0 383.879 4.308 40 0 GIABRN C[C@@H](NC(=O)N1CCOC[C@H]1c1nc(-c2ccc(F)cc2)c[nH]1)c1ccccc1 ZINC000067898838 210345204 /nfs/dbraw/zinc/34/52/04/210345204.db2.gz KDAQQOIWCVTIQU-QRWLVFNGSA-N 0 0 394.450 4.060 40 0 biogenic,in-vitro GIABRN CSc1nc2sc(C(=O)NCCC(C)C)cc2c(N2CCCCC2)n1 ZINC000408620882 533081036 /nfs/dbraw/zinc/08/10/36/533081036.db2.gz MSHGFGBTJVOYFD-UHFFFAOYSA-N 0 0 378.567 4.179 40 0 GIABRN COc1ccc(C(=O)Nc2ccc(CSc3n[nH]c(C)n3)cc2)cc1Cl ZINC000020293607 210327878 /nfs/dbraw/zinc/32/78/78/210327878.db2.gz NTSDKYBDTPWGIV-UHFFFAOYSA-N 0 0 388.880 4.320 40 0 GIABRN COc1ccc(NC(=O)COc2cccc(C)c2C)cc1-c1ccc(CO)o1 ZINC000020144018 210319587 /nfs/dbraw/zinc/31/95/87/210319587.db2.gz QELVAIZDYYCWBB-UHFFFAOYSA-N 0 0 381.428 4.082 40 0 GIABRN COc1cc(NC(=O)COc2ccc(C)cc2C)ccc1-c1ccc(CO)o1 ZINC000020144062 210319650 /nfs/dbraw/zinc/31/96/50/210319650.db2.gz KIVJFNNYFJBKIR-UHFFFAOYSA-N 0 0 381.428 4.082 40 0 GIABRN COc1ccc(CN(C)C(=O)CCSc2ccc(Cl)cc2)cc1OC ZINC000020110919 210318964 /nfs/dbraw/zinc/31/89/64/210318964.db2.gz XHVJVLLNIDIFIE-UHFFFAOYSA-N 0 0 379.909 4.498 40 0 GIABRN COc1ccc(S[C@H](C)C(=O)NCCCc2ccc(F)cc2)cc1OC ZINC000020111628 210318211 /nfs/dbraw/zinc/31/82/11/210318211.db2.gz IHHZYTCPOAPDTI-CQSZACIVSA-N 0 0 377.481 4.073 40 0 GIABRN CC[C@H](NC(=O)COc1ccc(Br)c(C)c1)c1ccc(OC)cc1 ZINC000020111677 210317715 /nfs/dbraw/zinc/31/77/15/210317715.db2.gz KYLLYWFPCYMJHF-SFHVURJKSA-N 0 0 392.293 4.412 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)c(Cl)c1Cl ZINC000020110284 210316702 /nfs/dbraw/zinc/31/67/02/210316702.db2.gz OFGFGYSKRUOJAO-UHFFFAOYSA-N 0 0 394.707 4.476 40 0 GIABRN CCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)c(CC)nn2c1/C=C/N(C)C ZINC000019960788 210311224 /nfs/dbraw/zinc/31/12/24/210311224.db2.gz NBGJLWPTZMVFGV-VAWYXSNFSA-N 0 0 398.894 4.321 40 0 GIABRN Cc1ccc(NC(=O)c2nnc3c(-c4ccc(F)cc4)cnn3c2C)cc1C ZINC000019817145 210300888 /nfs/dbraw/zinc/30/08/88/210300888.db2.gz MLEMJVJKWFOPJI-UHFFFAOYSA-N 0 0 375.407 4.108 40 0 GIABRN Cc1c(C(=O)Nc2ccc(F)cc2)nnc2c(-c3ccc(Cl)cc3)cnn21 ZINC000019817003 210300923 /nfs/dbraw/zinc/30/09/23/210300923.db2.gz NDNMOSVFYNQPGV-UHFFFAOYSA-N 0 0 381.798 4.145 40 0 GIABRN COC(=O)c1c(C)nc2ccn(-c3ccccc3)c(=O)c2c1-c1ccc(F)cc1 ZINC000019819230 210299680 /nfs/dbraw/zinc/29/96/80/210299680.db2.gz LAPNHQVORVMIAP-UHFFFAOYSA-N 0 0 388.398 4.287 40 0 GIABRN CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(OC)cc2)c(Br)c1 ZINC000019934114 210309033 /nfs/dbraw/zinc/30/90/33/210309033.db2.gz BZJNGTVAPBMELK-ZDUSSCGKSA-N 0 0 392.293 4.276 40 0 GIABRN COc1ccc2cc(C(=O)Nc3cccc(Cn4ccnc4C)c3)c(C)nc2c1 ZINC000019715207 210285622 /nfs/dbraw/zinc/28/56/22/210285622.db2.gz XKRYSXXEGYOLHC-UHFFFAOYSA-N 0 0 386.455 4.357 40 0 GIABRN Cc1nc([C@@H]2CCCN2C(=O)C2CCCC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019755052 210293781 /nfs/dbraw/zinc/29/37/81/210293781.db2.gz RVAADEZWVKJSJP-IBGZPJMESA-N 0 0 396.466 4.030 40 0 GIABRN Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)CCc1nc2ccccc2[nH]1 ZINC000019718008 210289627 /nfs/dbraw/zinc/28/96/27/210289627.db2.gz XPFLWWCDEWLOLO-UHFFFAOYSA-N 0 0 391.450 4.135 40 0 GIABRN Cn1cnc2ccc(NC(=O)c3cc(-c4ccccn4)nc4ccccc43)cc21 ZINC000019718312 210288551 /nfs/dbraw/zinc/28/85/51/210288551.db2.gz SVONLGMHXLBHLD-UHFFFAOYSA-N 0 0 379.423 4.436 40 0 GIABRN COCCOc1cccc([C@@H]2N[C@H](c3cccnc3)Cc3cc(OC)ccc32)c1 ZINC000019593813 210274931 /nfs/dbraw/zinc/27/49/31/210274931.db2.gz SUNJCMXZYBLUHU-ZEQRLZLVSA-N 0 0 390.483 4.092 40 0 GIABRN Cc1nc(C2CCN(C(=O)C(C)C)CC2)nc2c1CCCN2Cc1ccccc1 ZINC000019705750 210283377 /nfs/dbraw/zinc/28/33/77/210283377.db2.gz MXJKPMLQOAPHJK-UHFFFAOYSA-N 0 0 392.547 4.100 40 0 GIABRN CCc1nnc2n1C[C@@H](c1ccc(NC(=O)CCc3ccccc3F)cc1)CC2 ZINC000019699142 210282589 /nfs/dbraw/zinc/28/25/89/210282589.db2.gz QMOGVXHMGYPLJJ-SFHVURJKSA-N 0 0 392.478 4.281 40 0 GIABRN CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCC2)nc(C2CC2)n1 ZINC000019592088 210274808 /nfs/dbraw/zinc/27/48/08/210274808.db2.gz CEUUZPBIEXOUBD-IBGZPJMESA-N 0 0 389.503 4.077 40 0 GIABRN Cc1nn(C)cc1C(=O)N1CCC[C@@H]1c1cc(Cc2cccc(C)c2)cc(C)n1 ZINC000019690865 210280841 /nfs/dbraw/zinc/28/08/41/210280841.db2.gz FGWGYTSRRVIHNI-HSZRJFAPSA-N 0 0 388.515 4.308 40 0 GIABRN Cc1ccc2nc(C)cc(OCC(=O)NCCc3nc(C(C)(C)C)cs3)c2c1 ZINC000019661041 210280066 /nfs/dbraw/zinc/28/00/66/210280066.db2.gz LAWXQDZQAFBIGN-UHFFFAOYSA-N 0 0 397.544 4.343 40 0 GIABRN CC[C@H](c1ccc(F)cc1)N(C)C(=O)CCn1c(=O)oc2cc(Cl)ccc21 ZINC000019661525 210279053 /nfs/dbraw/zinc/27/90/53/210279053.db2.gz INFXFNMWXIPZFU-MRXNPFEDSA-N 0 0 390.842 4.387 40 0 GIABRN CN(C)c1ccc(C[C@H](CO)n2cncc2-c2cnn(C3CCCCC3)c2)cc1 ZINC000019654422 210277784 /nfs/dbraw/zinc/27/77/84/210277784.db2.gz QDOWNJRIROKZIM-JOCHJYFZSA-N 0 0 393.535 4.094 40 0 GIABRN Cc1cc(C)n(-c2ccc(C(=O)NCCc3cn(C)c4ccc(F)cc34)cc2)n1 ZINC000019659991 210277603 /nfs/dbraw/zinc/27/76/03/210277603.db2.gz IOVBCALHQNQGSB-UHFFFAOYSA-N 0 0 390.462 4.092 40 0 GIABRN CC(=O)N[C@H](CC(=O)Nc1ccc2[nH]c(C(C)(C)C)nc2c1)c1ccc(F)cc1 ZINC000019656302 210276498 /nfs/dbraw/zinc/27/64/98/210276498.db2.gz SGOKXPHBKMOMEX-GOSISDBHSA-N 0 0 396.466 4.206 40 0 GIABRN O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCN=C1c1ccccc1 ZINC000019619248 210276152 /nfs/dbraw/zinc/27/61/52/210276152.db2.gz ZHUCTYSQIBPNHP-UHFFFAOYSA-N 0 0 389.691 4.098 40 0 GIABRN CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)C2CCC2)C1 ZINC000019591037 210273689 /nfs/dbraw/zinc/27/36/89/210273689.db2.gz KQKBZNBGDVPFIU-VWLOTQADSA-N 0 0 390.527 4.051 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(F)c3)c2)c1 ZINC000008287940 221034774 /nfs/dbraw/zinc/03/47/74/221034774.db2.gz YHTKLIQXTZVQRZ-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN COc1ccc(-c2c(C(C)C)nn3c2nnc2c3CC(C)(C)CC2=O)cc1OC ZINC000010156990 221098128 /nfs/dbraw/zinc/09/81/28/221098128.db2.gz LYZOSJMMDHXNJC-UHFFFAOYSA-N 0 0 394.475 4.087 40 0 GIABRN COc1ccc(CN(Cc2[nH]c3ccccc3c2Cl)C[C@@H](C)O)cc1OC ZINC000012185566 221163955 /nfs/dbraw/zinc/16/39/55/221163955.db2.gz YVJGWTZAKJHIND-CQSZACIVSA-N 0 0 388.895 4.222 40 0 GIABRN CCc1nn2c(nnc3c2C[C@@H](c2cccs2)CC3=O)c1-c1ccc(F)cc1 ZINC000014607801 221313018 /nfs/dbraw/zinc/31/30/18/221313018.db2.gz XHHQZXCUAMGRJK-CYBMUJFWSA-N 0 0 392.459 4.467 40 0 GIABRN COc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000008208045 533318904 /nfs/dbraw/zinc/31/89/04/533318904.db2.gz QMUFCDGXJJJNEC-UHFFFAOYSA-N 0 0 399.697 4.238 40 0 GIABRN COCCN1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)o2)C1=O ZINC000409134242 533341418 /nfs/dbraw/zinc/34/14/18/533341418.db2.gz NJMOUXNCEJOZPY-RVDMUPIBSA-N 0 0 375.471 4.422 40 0 GIABRN COCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(C)cc2)C1=O ZINC000409149109 533341551 /nfs/dbraw/zinc/34/15/51/533341551.db2.gz XNTPVZLISDVWSC-CPNJWEJPSA-N 0 0 383.469 4.257 40 0 GIABRN COc1cccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000408619156 533615554 /nfs/dbraw/zinc/61/55/54/533615554.db2.gz GHUSUJUQMRHPGI-UHFFFAOYSA-N 0 0 392.480 4.401 40 0 GIABRN Cc1ccc(C(=O)Nc2ccccc2F)cc1S(=O)(=O)Nc1ccccc1 ZINC000409411952 533616199 /nfs/dbraw/zinc/61/61/99/533616199.db2.gz OFARZUIUODEBFA-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN CCCCOc1ccc(NC(=O)CN2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000057711359 136153849 /nfs/dbraw/zinc/15/38/49/136153849.db2.gz BFFHKQOTECQYIM-UHFFFAOYSA-N 0 0 395.547 4.243 40 0 GIABRN COc1cc(OC)cc(-c2cc3nc(C)cc(N4C[C@H](C)C[C@@H](C)C4)n3n2)c1 ZINC000001340792 136193205 /nfs/dbraw/zinc/19/32/05/136193205.db2.gz KEFOUDLZSOLTGP-HUUCEWRRSA-N 0 0 380.492 4.204 40 0 GIABRN O=C(Cc1cccs1)Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1 ZINC000005259149 136194621 /nfs/dbraw/zinc/19/46/21/136194621.db2.gz NZNNCLUIVVMUFB-UHFFFAOYSA-N 0 0 378.501 4.377 40 0 GIABRN CC(C)c1ccc2[nH]c(=O)c(CNc3ccc(N4CCOCC4)cc3)cc2c1 ZINC000013561406 136201212 /nfs/dbraw/zinc/20/12/12/136201212.db2.gz MFBLDWSHNREPQJ-UHFFFAOYSA-N 0 0 377.488 4.100 40 0 GIABRN CC(C)(C)c1ccc(OCC(=O)NCCCN2CCCc3ccccc32)cc1 ZINC000218935929 136203969 /nfs/dbraw/zinc/20/39/69/136203969.db2.gz CENLBCJFSMQAPA-UHFFFAOYSA-N 0 0 380.532 4.322 40 0 GIABRN CCOC(=O)c1cccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)c1C ZINC000219862015 136204439 /nfs/dbraw/zinc/20/44/39/136204439.db2.gz ZBMGEOCNKRFEER-UHFFFAOYSA-N 0 0 380.488 4.335 40 0 GIABRN Cc1ccc(Cl)cc1N1CCN(C(=O)Cc2ccc(Cl)cc2F)CC1 ZINC000223328391 136205687 /nfs/dbraw/zinc/20/56/87/136205687.db2.gz XXDGTLLAWZPAPQ-UHFFFAOYSA-N 0 0 381.278 4.332 40 0 GIABRN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(-c3ccc(F)cc3)on2)CC1 ZINC000224068088 136206283 /nfs/dbraw/zinc/20/62/83/136206283.db2.gz SXINYXXYQNKITJ-UHFFFAOYSA-N 0 0 399.853 4.405 40 0 GIABRN COC(=O)c1cc(NC(=O)CSCc2ccc(OC)cc2)ccc1Cl ZINC000008117408 533863926 /nfs/dbraw/zinc/86/39/26/533863926.db2.gz DUVPVDOYJGLRBL-UHFFFAOYSA-N 0 0 379.865 4.007 40 0 GIABRN COc1cc(CNc2ccc(C)c(C)c2)cc(I)c1O ZINC000409114582 533910066 /nfs/dbraw/zinc/91/00/66/533910066.db2.gz IMCDROSLHFOSFD-UHFFFAOYSA-N 0 0 383.229 4.234 40 0 GIABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1NC(c2ccccc2)=CS1 ZINC000408909246 533927198 /nfs/dbraw/zinc/92/71/98/533927198.db2.gz GTDPAVQZHWGPMD-ZMZPIMSZSA-N 0 0 395.311 4.496 40 0 GIABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)N[C@@H](C)c1ccccc1 ZINC000006084145 533928002 /nfs/dbraw/zinc/92/80/02/533928002.db2.gz IWSUBQOIHMWWLI-QWHCGFSZSA-N 0 0 396.270 4.181 40 0 GIABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)c1 ZINC000408622852 534082913 /nfs/dbraw/zinc/08/29/13/534082913.db2.gz NRVMOAVUHRBPQW-UHFFFAOYSA-N 0 0 386.517 4.039 40 0 GIABRN C[C@H](Oc1ccc(F)cc1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000014399967 534119175 /nfs/dbraw/zinc/11/91/75/534119175.db2.gz WRLRZXXFEBNQQB-LBPRGKRZSA-N 0 0 385.863 4.435 40 0 GIABRN Cc1cc2nc3s/c(=C\c4cccn4-c4ccc(F)cc4)c(=O)n3c2cc1C ZINC000409392087 534134033 /nfs/dbraw/zinc/13/40/33/534134033.db2.gz KTINYGVGIVUVFQ-NDENLUEZSA-N 0 0 389.455 4.004 40 0 GIABRN COc1ccc(OC)c(-c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)nn2)c1 ZINC000408535439 534220950 /nfs/dbraw/zinc/22/09/50/534220950.db2.gz YWMSZRGUHUQHHC-UHFFFAOYSA-N 0 0 394.471 4.283 40 0 GIABRN C[C@@H](C(=O)c1ccc(OC(F)F)cc1)n1nc(-c2ccncc2)oc1=S ZINC000008497226 518176430 /nfs/dbraw/zinc/17/64/30/518176430.db2.gz RKSGWKWOUNRJSS-JTQLQIEISA-N 0 0 377.372 4.313 40 0 GIABRN S=C(Nc1ccc(I)cc1)Nc1ccc2conc2c1 ZINC000409201567 534458283 /nfs/dbraw/zinc/45/82/83/534458283.db2.gz WKAVSNRNOCLTNN-UHFFFAOYSA-N 0 0 395.225 4.241 40 0 GIABRN NC(=O)c1ccc(NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1 ZINC000408878813 534487939 /nfs/dbraw/zinc/48/79/39/534487939.db2.gz BMJTUJJJNVGUFZ-UHFFFAOYSA-N 0 0 376.481 4.471 40 0 GIABRN O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)Nc1ccccc1 ZINC000006056231 534602992 /nfs/dbraw/zinc/60/29/92/534602992.db2.gz ZLNLDOGVJVGZRE-UHFFFAOYSA-N 0 0 382.243 4.334 40 0 GIABRN O=C(CSc1ccc(Cl)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408563128 534670564 /nfs/dbraw/zinc/67/05/64/534670564.db2.gz JHSDJVSBFYJFLO-QPJJXVBHSA-N 0 0 386.948 4.290 40 0 GIABRN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1ccc(F)cc1 ZINC000007193627 534677563 /nfs/dbraw/zinc/67/75/63/534677563.db2.gz BZLQWLOJFNUPNE-UHFFFAOYSA-N 0 0 393.827 4.172 40 0 GIABRN Cn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1ccccc1 ZINC000408561368 534695384 /nfs/dbraw/zinc/69/53/84/534695384.db2.gz IKNPAQARRFBGCS-UHFFFAOYSA-N 0 0 388.496 4.290 40 0 GIABRN O=C1NC(=O)/C(=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)N1 ZINC000409039301 534784682 /nfs/dbraw/zinc/78/46/82/534784682.db2.gz CJDMLRYNWCXTRV-VGOFMYFVSA-N 0 0 397.645 4.406 40 0 GIABRN O=C1S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1CCOc1ccc(F)cc1 ZINC000409050858 534824860 /nfs/dbraw/zinc/82/48/60/534824860.db2.gz BJFGROIOOMYTMW-YBEGLDIGSA-N 0 0 393.823 4.300 40 0 GIABRN Cc1ccccc1OCc1ccc(C(=O)NCC(=O)Nc2ccccc2Cl)o1 ZINC000408561508 534829954 /nfs/dbraw/zinc/82/99/54/534829954.db2.gz JAMRYACJRLRFEI-UHFFFAOYSA-N 0 0 398.846 4.189 40 0 GIABRN CC(C)(C)SCCNC(=O)CSCc1ccc(Br)cc1 ZINC000113932785 526604378 /nfs/dbraw/zinc/60/43/78/526604378.db2.gz DUMHSEYOFATAGC-UHFFFAOYSA-N 0 0 376.385 4.330 40 0 GIABRN CC(C)NC(=S)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 ZINC000408977572 527730489 /nfs/dbraw/zinc/73/04/89/527730489.db2.gz IZNLLPDHIQXHBA-UHFFFAOYSA-N 0 0 376.489 4.315 40 0 GIABRN CC1(C)OC[C@H]([C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C(=O)C[C@]23C)O1 ZINC000123282699 527814239 /nfs/dbraw/zinc/81/42/39/527814239.db2.gz POPWCUOLVRXTBA-SPYQAODXSA-N 0 0 390.564 4.337 40 0 GIABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000408560146 528046945 /nfs/dbraw/zinc/04/69/45/528046945.db2.gz CECXMNZUEMSHCM-UHFFFAOYSA-N 0 0 381.885 4.015 40 0 GIABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000408560850 528047413 /nfs/dbraw/zinc/04/74/13/528047413.db2.gz FHLDAFWLWRESKX-UHFFFAOYSA-N 0 0 389.521 4.286 40 0 GIABRN CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000408595661 528050644 /nfs/dbraw/zinc/05/06/44/528050644.db2.gz QYFVTBOCXXSWIP-UHFFFAOYSA-N 0 0 399.875 4.057 40 0 GIABRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)N[C@@H](C)c3ccccc3)C(=O)[C@@H]2C1 ZINC000408680363 528123608 /nfs/dbraw/zinc/12/36/08/528123608.db2.gz HQPZKVTWXIPYIH-XKGZKEIXSA-N 0 0 388.467 4.023 40 0 GIABRN CC(C)c1ccccc1NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000408705886 528192832 /nfs/dbraw/zinc/19/28/32/528192832.db2.gz PNNXNXDLCDWHNV-UHFFFAOYSA-N 0 0 392.496 4.134 40 0 GIABRN CCOc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)c(C)cc1OC ZINC000409076884 528194357 /nfs/dbraw/zinc/19/43/57/528194357.db2.gz CNIOQQMNWCGAJV-ATVHPVEESA-N 0 0 388.533 4.135 40 0 GIABRN CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(Cl)c1OC(C)C ZINC000409128768 528196519 /nfs/dbraw/zinc/19/65/19/528196519.db2.gz SKYRQFJSZNLSNI-XNTDXEJSSA-N 0 0 399.896 4.209 40 0 GIABRN CCOc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)cc(Cl)c1O ZINC000408811834 528196906 /nfs/dbraw/zinc/19/69/06/528196906.db2.gz WKYVLIADXZUGGE-UHFFFAOYSA-N 0 0 393.847 4.346 40 0 GIABRN CC1CCN(c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000408708302 528269769 /nfs/dbraw/zinc/26/97/69/528269769.db2.gz OYVJDZFVOVQIMW-QGZVFWFLSA-N 0 0 395.478 4.054 40 0 GIABRN CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1OCC ZINC000409037621 528367878 /nfs/dbraw/zinc/36/78/78/528367878.db2.gz TXLHNXFTCJGQLI-LGMDPLHJSA-N 0 0 382.485 4.088 40 0 GIABRN CCOc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1OC ZINC000106764835 528370838 /nfs/dbraw/zinc/37/08/38/528370838.db2.gz OQKWNYGSVWOORP-RGEXLXHISA-N 0 0 399.468 4.209 40 0 GIABRN CCOc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(C)cc3)o2)cc1OCC ZINC000408713961 528388293 /nfs/dbraw/zinc/38/82/93/528388293.db2.gz DUOCYAYTFVTPEF-UHFFFAOYSA-N 0 0 395.459 4.115 40 0 GIABRN CCOc1ccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)C)cc3)CC2=O)cc1 ZINC000408656958 528483900 /nfs/dbraw/zinc/48/39/00/528483900.db2.gz HYQHDHTXDBXGNA-MRXNPFEDSA-N 0 0 381.472 4.341 40 0 GIABRN CCOc1ccc(NC(=O)CSCC(=O)Nc2ccccc2Cl)cc1 ZINC000005463851 528513665 /nfs/dbraw/zinc/51/36/65/528513665.db2.gz ARDICJPCJXKRJC-UHFFFAOYSA-N 0 0 378.881 4.049 40 0 GIABRN CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1C ZINC000409352077 528574189 /nfs/dbraw/zinc/57/41/89/528574189.db2.gz WBDRQMASHQZWKZ-GOSISDBHSA-N 0 0 398.507 4.374 40 0 GIABRN CCCOc1ccc(Br)cc1C(=O)OCC(=O)c1ccccc1 ZINC000408586509 528643792 /nfs/dbraw/zinc/64/37/92/528643792.db2.gz NLFPMRWWPNTLID-UHFFFAOYSA-N 0 0 377.234 4.278 40 0 GIABRN CCN1C(=O)/C(=C/c2cc(Br)cc(OC)c2OC)c2ccccc21 ZINC000409198377 528942493 /nfs/dbraw/zinc/94/24/93/528942493.db2.gz FCFBDFIEQKGTJI-XNTDXEJSSA-N 0 0 388.261 4.373 40 0 GIABRN CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1c(C)cccc1C ZINC000408989155 529101785 /nfs/dbraw/zinc/10/17/85/529101785.db2.gz KFLGMMAKXLRGQH-LJQANCHMSA-N 0 0 379.460 4.081 40 0 GIABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2c(C)cccc2C)ccc1OCC ZINC000408585031 529107116 /nfs/dbraw/zinc/10/71/16/529107116.db2.gz AWFPNBBKNQJRBQ-UHFFFAOYSA-N 0 0 392.477 4.071 40 0 GIABRN CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000409237049 529191884 /nfs/dbraw/zinc/19/18/84/529191884.db2.gz VIITXIWMODRSNA-QUYZQLMHSA-N 0 0 394.471 4.274 40 0 GIABRN CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000006779524 529257200 /nfs/dbraw/zinc/25/72/00/529257200.db2.gz JDPNSMPWNDLELP-UHFFFAOYSA-N 0 0 392.546 4.081 40 0 GIABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCCN1CCCc2ccccc21 ZINC000222975569 535817769 /nfs/dbraw/zinc/81/77/69/535817769.db2.gz UKACEOFWNVPNCL-JOCHJYFZSA-N 0 0 380.532 4.420 40 0 GIABRN F[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@@H]1OCc1nc2ccccc2[nH]1 ZINC000096112175 560061309 /nfs/dbraw/zinc/06/13/09/560061309.db2.gz OJPBNURMHYOEIF-QAPCUYQASA-N 0 0 393.384 4.321 40 0 biogenic,in-vitro GIABRN CC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)NCc1cccs1 ZINC000005415399 560201855 /nfs/dbraw/zinc/20/18/55/560201855.db2.gz VFUFLXRMTVHBJE-RDJZCZTQSA-N 0 0 388.508 4.082 40 0 biogenic,in-vitro GIABRN Cc1cccc(Cl)c1Nc1cc(-c2ccncc2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329039111 570214122 /nfs/dbraw/zinc/21/41/22/570214122.db2.gz RVJXRAFLXBEIFK-SFHVURJKSA-N 0 0 397.910 4.095 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2ccccc2C(F)(F)F)cc(C(F)(F)F)n1 ZINC000329053982 570215613 /nfs/dbraw/zinc/21/56/13/570215613.db2.gz VITAAFHKJDYRAZ-VIFPVBQESA-N 0 0 378.320 4.312 40 0 GIABRN COc1cc(NC(=O)c2cccc(OC(C)C)c2)ccc1-c1ccc(CO)o1 ZINC000020141633 570243091 /nfs/dbraw/zinc/24/30/91/570243091.db2.gz CVAAFRZLGQOCPJ-UHFFFAOYSA-N 0 0 381.428 4.487 40 0 GIABRN COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1ccc(F)cc1 ZINC000005164562 570248398 /nfs/dbraw/zinc/24/83/98/570248398.db2.gz PQNBYCABHFNLBR-NWSQWKLXSA-N 0 0 383.463 4.343 40 0 GIABRN CCc1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3cn(C)cn3)cs2)cc1 ZINC000585294891 570274587 /nfs/dbraw/zinc/27/45/87/570274587.db2.gz LFGJFIAJLJCOBL-IBGZPJMESA-N 0 0 395.532 4.028 40 0 GIABRN CCc1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3cn[nH]c3)cs2)cc1 ZINC000585294954 570274608 /nfs/dbraw/zinc/27/46/08/570274608.db2.gz LSRDBOOMWCFJTK-SFHVURJKSA-N 0 0 381.505 4.018 40 0 GIABRN COc1cc(CO)cc(Br)c1OCc1c(F)cccc1Cl ZINC000049345592 570275784 /nfs/dbraw/zinc/27/57/84/570275784.db2.gz JLZQUMXPSPDRKV-UHFFFAOYSA-N 0 0 375.621 4.322 40 0 GIABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Br)cn1 ZINC000021001855 570288939 /nfs/dbraw/zinc/28/89/39/570288939.db2.gz IYMPQKCXIGKGDV-UHFFFAOYSA-N 0 0 376.037 4.412 40 0 GIABRN CCc1ccc(C(=O)CN(c2cc(OC)ccc2OC)C2=NCCCS2)cc1 ZINC000006870920 570294350 /nfs/dbraw/zinc/29/43/50/570294350.db2.gz KTPSBFOGGYWJER-UHFFFAOYSA-N 0 0 398.528 4.448 40 0 GIABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000216390378 570300502 /nfs/dbraw/zinc/30/05/02/570300502.db2.gz VCEFWDUQWPSURD-HXUWFJFHSA-N 0 0 384.451 4.248 40 0 GIABRN O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cn2c3c(cccc3c1=O)CCC2 ZINC000022235617 570309145 /nfs/dbraw/zinc/30/91/45/570309145.db2.gz NWTRNGPMOOKQJT-UHFFFAOYSA-N 0 0 390.336 4.358 40 0 GIABRN CCN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000022256828 570311226 /nfs/dbraw/zinc/31/12/26/570311226.db2.gz PJJSNINHEFLVSM-UHFFFAOYSA-N 0 0 385.489 4.071 40 0 GIABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)c1 ZINC000022511037 570318909 /nfs/dbraw/zinc/31/89/09/570318909.db2.gz DVKORIVYCPNBGW-SFHVURJKSA-N 0 0 382.504 4.404 40 0 GIABRN CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2ccccc2C)cc1OC ZINC000022531215 570320775 /nfs/dbraw/zinc/32/07/75/570320775.db2.gz OWBSNLKXWSOXHX-IBGZPJMESA-N 0 0 385.504 4.309 40 0 GIABRN CCOC(=O)c1cc(NS(=O)(=O)c2c(C)cc(C)cc2C)ccc1Cl ZINC000022534404 570321236 /nfs/dbraw/zinc/32/12/36/570321236.db2.gz DVPIFEDDYIQICC-UHFFFAOYSA-N 0 0 381.881 4.243 40 0 GIABRN CCn1cc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c(=O)c2cc(OC)ccc21 ZINC000022606053 570322469 /nfs/dbraw/zinc/32/24/69/570322469.db2.gz HWKAVAGUOCHNNR-KRWDZBQOSA-N 0 0 392.499 4.446 40 0 GIABRN Cc1nn(C)cc1/C=C1/C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O ZINC000118916000 570323842 /nfs/dbraw/zinc/32/38/42/570323842.db2.gz NGPBGXXVOJHCFZ-ANBXNEBRSA-N 0 0 396.575 4.406 40 0 GIABRN COc1cc2cc3c(N)c(C(=O)Nc4ccc(F)cc4)sc3nc2cc1OC ZINC000035312976 570324535 /nfs/dbraw/zinc/32/45/35/570324535.db2.gz XDHBHBBOWFBGIQ-UHFFFAOYSA-N 0 0 397.431 4.440 40 0 GIABRN Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(C)cc3Cl)nn12 ZINC000408573017 570340483 /nfs/dbraw/zinc/34/04/83/570340483.db2.gz LCCPKUPMCRFIJB-UHFFFAOYSA-N 0 0 383.864 4.375 40 0 GIABRN O=C(COC(=O)c1ccccc1Cl)Nc1ccc(Br)cc1F ZINC000003507323 570341669 /nfs/dbraw/zinc/34/16/69/570341669.db2.gz TWDHLEXDFRKIPS-UHFFFAOYSA-N 0 0 386.604 4.037 40 0 GIABRN CCc1ccc(OCC(=O)N(C)Cc2ccc(OC)cc2)c(Br)c1 ZINC000218859220 570342489 /nfs/dbraw/zinc/34/24/89/570342489.db2.gz QSUKTOXSDPSAPD-UHFFFAOYSA-N 0 0 392.293 4.058 40 0 GIABRN CCc1ccc(OCC(=O)NCCCc2ccc(C)cc2)c(Br)c1 ZINC000218864902 570342501 /nfs/dbraw/zinc/34/25/01/570342501.db2.gz ZSNWILBPXHUZHC-UHFFFAOYSA-N 0 0 390.321 4.448 40 0 GIABRN COC(=O)c1c(NC(=O)CSCc2ccccc2C)sc2c1CCC2 ZINC000408576462 570342675 /nfs/dbraw/zinc/34/26/75/570342675.db2.gz VHIXHWDDOOSQHQ-UHFFFAOYSA-N 0 0 375.515 4.204 40 0 GIABRN CN1CCN(C(=S)c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)CC1 ZINC000408577237 570342941 /nfs/dbraw/zinc/34/29/41/570342941.db2.gz SACBZWJBVDCLNQ-UHFFFAOYSA-N 0 0 395.355 4.495 40 0 GIABRN COC(=O)c1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1Cl ZINC000218920096 570343809 /nfs/dbraw/zinc/34/38/09/570343809.db2.gz ITWOQGXFFXGMLZ-UHFFFAOYSA-N 0 0 382.243 4.414 40 0 GIABRN CCc1ccc(C2=NN(C(=O)c3cccc(Cl)c3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000005477283 570345219 /nfs/dbraw/zinc/34/52/19/570345219.db2.gz LEJXRMAFJABTEH-GOSISDBHSA-N 0 0 396.796 4.404 40 0 GIABRN CCc1ccccc1O[C@H](C)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000219297251 570351960 /nfs/dbraw/zinc/35/19/60/570351960.db2.gz NGBKLJVBKQWPDI-CQSZACIVSA-N 0 0 399.878 4.378 40 0 GIABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC000057115433 570355429 /nfs/dbraw/zinc/35/54/29/570355429.db2.gz HMRQZMDXKCLJAJ-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1nc(-c2cccc(C)c2)no1 ZINC000219370827 570357203 /nfs/dbraw/zinc/35/72/03/570357203.db2.gz FYBKJRBMMBSXSO-GOSISDBHSA-N 0 0 379.460 4.136 40 0 GIABRN COc1ccccc1CNC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000023393946 570360694 /nfs/dbraw/zinc/36/06/94/570360694.db2.gz DKCHAWFTGZTTGP-UHFFFAOYSA-N 0 0 379.460 4.118 40 0 GIABRN COc1cccc(CN(Cc2ccco2)[C@H](c2nnnn2C(C)(C)C)C(C)C)c1 ZINC000057614198 570365872 /nfs/dbraw/zinc/36/58/72/570365872.db2.gz UXNXJUGKJHEUCT-FQEVSTJZSA-N 0 0 397.523 4.429 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1cc(C)cc(C)c1 ZINC000219554830 570366835 /nfs/dbraw/zinc/36/68/35/570366835.db2.gz XRDCCPURYAQOAF-HNNXBMFYSA-N 0 0 385.489 4.231 40 0 GIABRN CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118924801 570367969 /nfs/dbraw/zinc/36/79/69/570367969.db2.gz ODVZWAWQENIRKD-OMYSZVBNSA-N 0 0 388.548 4.447 40 0 GIABRN CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4cccs4)cc3n2)cc1 ZINC000408619938 570369370 /nfs/dbraw/zinc/36/93/70/570369370.db2.gz DPBXUVUUDYONEG-UHFFFAOYSA-N 0 0 378.457 4.441 40 0 GIABRN CC[C@@H](NC(=O)[C@H](CC)Oc1ccccc1F)c1ccc(OC)c(OC)c1 ZINC000219583047 570369866 /nfs/dbraw/zinc/36/98/66/570369866.db2.gz SCRLVLFDXFLQGG-SJORKVTESA-N 0 0 375.440 4.268 40 0 GIABRN CC[C@H](Oc1ccc(C)cc1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000219600074 570370292 /nfs/dbraw/zinc/37/02/92/570370292.db2.gz XNOXWLWXTFSSCR-IBGZPJMESA-N 0 0 379.460 4.169 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 ZINC000219614818 570371384 /nfs/dbraw/zinc/37/13/84/570371384.db2.gz PSXHAHYAUFUQGC-QGZVFWFLSA-N 0 0 385.851 4.172 40 0 GIABRN CC(C)CCOC(=O)CC(CC(=O)OCCC(C)C)C(=O)OCCC(C)C ZINC000004403559 570373738 /nfs/dbraw/zinc/37/37/38/570373738.db2.gz DOBFTVAUMSOXKO-UHFFFAOYSA-N 0 0 386.529 4.151 40 0 GIABRN O=C(NC(=S)Nc1ccc(Cl)cn1)c1ccc(OCc2ccccc2)cc1 ZINC000408625335 570376782 /nfs/dbraw/zinc/37/67/82/570376782.db2.gz XLHYMRLNSSVIFT-UHFFFAOYSA-N 0 0 397.887 4.441 40 0 GIABRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)C(C)C)ccc3O)oc2c(C)c1 ZINC000408627627 570380244 /nfs/dbraw/zinc/38/02/44/570380244.db2.gz MSDVLZDGWRILEG-UHFFFAOYSA-N 0 0 383.473 4.286 40 0 GIABRN CC(C)COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 ZINC000408629165 570381504 /nfs/dbraw/zinc/38/15/04/570381504.db2.gz NHTICNAUAYYQBL-CYBMUJFWSA-N 0 0 386.517 4.259 40 0 GIABRN CCCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 ZINC000408629214 570381797 /nfs/dbraw/zinc/38/17/97/570381797.db2.gz QBHGLFQOSYXQAE-UHFFFAOYSA-N 0 0 399.922 4.431 40 0 GIABRN Cc1cccc(N([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)c1 ZINC000220133798 570382301 /nfs/dbraw/zinc/38/23/01/570382301.db2.gz SAIIHDNHUUVBMQ-QGZVFWFLSA-N 0 0 388.533 4.220 40 0 GIABRN Cc1sc(-c2ccco2)nc1C(=O)/N=c1/ccccn1Cc1ccccc1 ZINC000103046021 570384928 /nfs/dbraw/zinc/38/49/28/570384928.db2.gz XTOYNJVRCBKTIN-PYCFMQQDSA-N 0 0 375.453 4.302 40 0 GIABRN Cc1ccc(NC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c(C)c1 ZINC000220351325 570385649 /nfs/dbraw/zinc/38/56/49/570385649.db2.gz QZUGEBYINWWDBI-HNNXBMFYSA-N 0 0 394.924 4.058 40 0 GIABRN COc1cccc(OCCOc2ccc(C=C3SC(=S)NC3=O)cc2)c1 ZINC000026608520 570389905 /nfs/dbraw/zinc/38/99/05/570389905.db2.gz GMQNUOKFNOLFMA-BOPFTXTBSA-N 0 0 387.482 4.482 40 0 GIABRN C[C@H](CC[C@H]1CCCO1)OC(=O)CCCCC(=O)O[C@@H](C)CC[C@@H]1CCCO1 ZINC000004684170 570392951 /nfs/dbraw/zinc/39/29/51/570392951.db2.gz WTKXGQXWHJXYJA-FGYAAKKASA-N 0 0 398.540 4.329 40 0 GIABRN O=C(C[C@]12CCCC[C@H]1C2(F)F)NCc1cccnc1-n1cnc2ccccc21 ZINC000685939015 570398720 /nfs/dbraw/zinc/39/87/20/570398720.db2.gz CCWNMGYLROMZRP-WIYYLYMNSA-N 0 0 396.441 4.252 40 0 GIABRN CC(=O)Nc1cccc(/C=C/c2nc(N)nc(N)c2-c2ccc(Cl)cc2)c1 ZINC000004771719 570404570 /nfs/dbraw/zinc/40/45/70/570404570.db2.gz YBGXPSTUBSFQLY-BJMVGYQFSA-N 0 0 379.851 4.090 40 0 GIABRN C#CCOc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OCC ZINC000006960523 570404681 /nfs/dbraw/zinc/40/46/81/570404681.db2.gz FRYYFKORKCIUKI-NFYBBCHUSA-N 0 0 386.517 4.186 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222396759 570409628 /nfs/dbraw/zinc/40/96/28/570409628.db2.gz KDJFWAAJMYJCFY-AWEZNQCLSA-N 0 0 393.314 4.008 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222396568 570409634 /nfs/dbraw/zinc/40/96/34/570409634.db2.gz IUHTUCVPLXPUNR-CQSZACIVSA-N 0 0 393.314 4.008 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 ZINC000222496120 570412610 /nfs/dbraw/zinc/41/26/10/570412610.db2.gz SHFYGAJIZYCJQA-JOCHJYFZSA-N 0 0 380.532 4.178 40 0 GIABRN Cc1cccc(C(C)C)c1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl ZINC000222496933 570412670 /nfs/dbraw/zinc/41/26/70/570412670.db2.gz YPBUILAHONJNGL-UHFFFAOYSA-N 0 0 394.924 4.420 40 0 GIABRN COc1ccc(CCC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1C ZINC000222540560 570414053 /nfs/dbraw/zinc/41/40/53/570414053.db2.gz FSLJMDXKVCSDCT-UHFFFAOYSA-N 0 0 380.488 4.201 40 0 GIABRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(O)c(Br)c2)S1 ZINC000222581811 570415423 /nfs/dbraw/zinc/41/54/23/570415423.db2.gz BIWQGFPRHSJLBX-VFVAKGGASA-N 0 0 390.306 4.139 40 0 GIABRN CCC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222585519 570415539 /nfs/dbraw/zinc/41/55/39/570415539.db2.gz CSBMNKPEAMYZAL-QFIPXVFZSA-N 0 0 380.532 4.117 40 0 GIABRN Cc1cccc(N(CCCC(=O)Nc2ccccc2Cl)S(C)(=O)=O)c1C ZINC000222626910 570417633 /nfs/dbraw/zinc/41/76/33/570417633.db2.gz RNZGLQFHPNKNOX-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)S1 ZINC000222626003 570417635 /nfs/dbraw/zinc/41/76/35/570417635.db2.gz LLKDZNAIGMDENH-GKCIPKSASA-N 0 0 376.485 4.167 40 0 GIABRN COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 ZINC000222625844 570417644 /nfs/dbraw/zinc/41/76/44/570417644.db2.gz TWIDZZDPIISSGL-JHVJFLLYSA-N 0 0 390.512 4.470 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 ZINC000222646794 570418400 /nfs/dbraw/zinc/41/84/00/570418400.db2.gz BTZAQNIBXUNPPB-NRFANRHFSA-N 0 0 384.495 4.009 40 0 GIABRN O=C(O[C@@]1(c2nccc3ccccc32)C(=O)Nc2ccccc21)c1ccccc1 ZINC000004963969 570420066 /nfs/dbraw/zinc/42/00/66/570420066.db2.gz NLXGUYUPJOFWEE-DEOSSOPVSA-N 0 0 380.403 4.288 40 0 GIABRN C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000222693418 570421013 /nfs/dbraw/zinc/42/10/13/570421013.db2.gz QCNZARAHFPLBLC-CQSZACIVSA-N 0 0 375.852 4.148 40 0 GIABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3c(C)c(C)n(CCOC)c3C)N21 ZINC000222719450 570422047 /nfs/dbraw/zinc/42/20/47/570422047.db2.gz KGEJMYFIXYTJBE-DZFGPLHGSA-N 0 0 398.576 4.434 40 0 GIABRN O=C(N[C@H]1CCCc2ccccc21)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000005001803 570423221 /nfs/dbraw/zinc/42/32/21/570423221.db2.gz JNGXYMBQIPGSMZ-IBGZPJMESA-N 0 0 375.472 4.252 40 0 GIABRN CCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000222748774 570423698 /nfs/dbraw/zinc/42/36/98/570423698.db2.gz RQRYRHMLHICNQS-CQSZACIVSA-N 0 0 393.314 4.437 40 0 GIABRN Cc1ccc(CN(C(=O)CSc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222749251 570423809 /nfs/dbraw/zinc/42/38/09/570423809.db2.gz LDQYBFAGEHGKSP-GOSISDBHSA-N 0 0 398.572 4.419 40 0 GIABRN Cc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222751580 570424119 /nfs/dbraw/zinc/42/41/19/570424119.db2.gz GWLLXAKKCUHNIS-IBGZPJMESA-N 0 0 380.532 4.260 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000222768908 570424891 /nfs/dbraw/zinc/42/48/91/570424891.db2.gz ZXPXOSFUOSJUNR-AWEZNQCLSA-N 0 0 393.314 4.008 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222775785 570425341 /nfs/dbraw/zinc/42/53/41/570425341.db2.gz MHWJOUNYLYIYOA-LJQANCHMSA-N 0 0 380.532 4.178 40 0 GIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222789813 570426106 /nfs/dbraw/zinc/42/61/06/570426106.db2.gz PTDFAQXPZYETHY-JOCHJYFZSA-N 0 0 398.522 4.338 40 0 GIABRN COc1ccc(C2(SC[C@H]([NH3+])C(=O)[O-])c3ccccc3-c3ccccc32)cc1 ZINC000005049535 570426286 /nfs/dbraw/zinc/42/62/86/570426286.db2.gz PDGVITQUZRCXTG-NRFANRHFSA-N 0 0 391.492 4.113 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccccc3Cl)s2)cc1 ZINC000222805239 570426679 /nfs/dbraw/zinc/42/66/79/570426679.db2.gz QJQKKNGPXBKPLV-LLVKDONJSA-N 0 0 389.864 4.273 40 0 GIABRN CN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccccc1C(C)(C)C ZINC000222803550 570426697 /nfs/dbraw/zinc/42/66/97/570426697.db2.gz ORZCEJKTWFXMSS-UHFFFAOYSA-N 0 0 385.489 4.133 40 0 GIABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccnc1 ZINC000222819265 570427626 /nfs/dbraw/zinc/42/76/26/570427626.db2.gz BXSIHJWNWWNDQR-LEWJYISDSA-N 0 0 391.544 4.265 40 0 GIABRN COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)cc1 ZINC000222842181 570428681 /nfs/dbraw/zinc/42/86/81/570428681.db2.gz QJSXPTDMDKODRC-LEWJYISDSA-N 0 0 392.528 4.262 40 0 GIABRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)Nc2cccc(C)c2)c1 ZINC000026780036 570428691 /nfs/dbraw/zinc/42/86/91/570428691.db2.gz ZZHAHHAJMGNFFQ-UHFFFAOYSA-N 0 0 395.912 4.323 40 0 GIABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(OC)c1 ZINC000222887231 570430205 /nfs/dbraw/zinc/43/02/05/570430205.db2.gz JGNADRVEWVAAFE-RTWAWAEBSA-N 0 0 392.528 4.263 40 0 GIABRN O=S(=O)(NCCSCc1ccccc1F)c1ccc2ccccc2c1 ZINC000007688831 570430966 /nfs/dbraw/zinc/43/09/66/570430966.db2.gz KQFYVMOWPDCTOC-UHFFFAOYSA-N 0 0 375.490 4.191 40 0 GIABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)nc1 ZINC000222908512 570430985 /nfs/dbraw/zinc/43/09/85/570430985.db2.gz QEECSACFGIURKG-NHCUHLMSSA-N 0 0 391.544 4.204 40 0 GIABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 ZINC000222950303 570432884 /nfs/dbraw/zinc/43/28/84/570432884.db2.gz YQCXSCICXNAUNM-UXHICEINSA-N 0 0 377.517 4.040 40 0 GIABRN CC(=O)Oc1cs/c(=N\c2ccc(Cl)c(C(F)(F)F)c2)n1C(C)=O ZINC000005375712 570436285 /nfs/dbraw/zinc/43/62/85/570436285.db2.gz XHSCCZDKANCPCC-UYRXBGFRSA-N 0 0 378.759 4.040 40 0 GIABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCC2)c1C ZINC000223004534 570436679 /nfs/dbraw/zinc/43/66/79/570436679.db2.gz AWXKHRQBDYWURA-SFTDATJTSA-N 0 0 398.576 4.234 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1C ZINC000223014930 570437322 /nfs/dbraw/zinc/43/73/22/570437322.db2.gz LASUDGQISJWLLW-NRFANRHFSA-N 0 0 398.572 4.090 40 0 GIABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 ZINC000223032415 570438548 /nfs/dbraw/zinc/43/85/48/570438548.db2.gz WGNPJCIVCLFVEJ-UXHICEINSA-N 0 0 384.549 4.007 40 0 GIABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 ZINC000223062811 570441225 /nfs/dbraw/zinc/44/12/25/570441225.db2.gz ICLNQRQKWCUBHP-LEWJYISDSA-N 0 0 398.576 4.397 40 0 GIABRN COc1ccc2c(c1)CCc1c(-c3n[nH]c4c3CCc3cc(OC)ccc3-4)n[nH]c1-2 ZINC000005479254 570441595 /nfs/dbraw/zinc/44/15/95/570441595.db2.gz SYDAHIUDHIKUAF-UHFFFAOYSA-N 0 0 398.466 4.348 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 ZINC000223092867 570442903 /nfs/dbraw/zinc/44/29/03/570442903.db2.gz JHBUJFWMFUTVNJ-HXUWFJFHSA-N 0 0 380.532 4.180 40 0 GIABRN N=C1NC(=O)/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)S1 ZINC000005512976 570443665 /nfs/dbraw/zinc/44/36/65/570443665.db2.gz URFHGBUOZKTSKB-AUWJEWJLSA-N 0 0 393.251 4.351 40 0 GIABRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O ZINC000223118092 570444221 /nfs/dbraw/zinc/44/42/21/570444221.db2.gz FNYIMMZYUPXTCD-NRFANRHFSA-N 0 0 386.923 4.216 40 0 GIABRN Cc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000005549204 570445025 /nfs/dbraw/zinc/44/50/25/570445025.db2.gz YAOVKRDGWCJDNV-UHFFFAOYSA-N 0 0 380.469 4.072 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223129059 570445363 /nfs/dbraw/zinc/44/53/63/570445363.db2.gz AIDORHWCYVGNKB-NRFANRHFSA-N 0 0 394.559 4.488 40 0 GIABRN COc1ccc(-c2ncc(C(=O)Nc3cccc(Br)c3)c(C)n2)cc1 ZINC000223140792 570446481 /nfs/dbraw/zinc/44/64/81/570446481.db2.gz WIVKZOJNZZBOLU-UHFFFAOYSA-N 0 0 398.260 4.475 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000223178574 570448649 /nfs/dbraw/zinc/44/86/49/570448649.db2.gz ODBPPMSXCNZICK-OAQYLSRUSA-N 0 0 380.532 4.260 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000223194368 570449007 /nfs/dbraw/zinc/44/90/07/570449007.db2.gz MIBLQUUPAVPUBZ-GOSISDBHSA-N 0 0 393.314 4.089 40 0 GIABRN C[C@H](NC(=O)c1ccccc1NC(=O)Cc1ccccc1F)c1ccccc1 ZINC000005632562 570449453 /nfs/dbraw/zinc/44/94/53/570449453.db2.gz JSAZGMNMVMJCGS-INIZCTEOSA-N 0 0 376.431 4.498 40 0 GIABRN COc1ccc(OCCCC(=O)NCCOc2cccc3ccccc32)cc1 ZINC000005744749 570454861 /nfs/dbraw/zinc/45/48/61/570454861.db2.gz VCBJWJWLTMYDRN-UHFFFAOYSA-N 0 0 379.456 4.203 40 0 GIABRN COc1cc(C)c(S(=O)(=O)N[C@H](C)COc2ccc(C)cc2)cc1C(C)C ZINC000223313198 570457714 /nfs/dbraw/zinc/45/77/14/570457714.db2.gz MEEQJWPYELGSQG-QGZVFWFLSA-N 0 0 391.533 4.181 40 0 GIABRN CCc1cccc(C)c1NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 ZINC000223331475 570459051 /nfs/dbraw/zinc/45/90/51/570459051.db2.gz HWQOCBRSKSYLSZ-UHFFFAOYSA-N 0 0 378.519 4.039 40 0 GIABRN COc1cc2[nH]c(-c3cccc(I)c3)nc2c(Cl)c1 ZINC000226343268 570459744 /nfs/dbraw/zinc/45/97/44/570459744.db2.gz GIYVRQJUJBJOAL-UHFFFAOYSA-N 0 0 384.604 4.497 40 0 GIABRN Cc1ccc(SCCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000026407153 570463983 /nfs/dbraw/zinc/46/39/83/570463983.db2.gz IBMQOTZHECSSBR-QGZVFWFLSA-N 0 0 398.528 4.025 40 0 GIABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccs2)cc1 ZINC000223408017 570464295 /nfs/dbraw/zinc/46/42/95/570464295.db2.gz FFXMFWGJIUPBFM-OALUTQOASA-N 0 0 381.526 4.324 40 0 GIABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCC ZINC000223406260 570464309 /nfs/dbraw/zinc/46/43/09/570464309.db2.gz ALRKWWLNCFIFQA-HXUWFJFHSA-N 0 0 386.923 4.216 40 0 GIABRN COCc1cccc(NC(=O)CSCc2ccc(Br)cc2)c1 ZINC000223454793 570467047 /nfs/dbraw/zinc/46/70/47/570467047.db2.gz MYFLDJXNAWMHJD-UHFFFAOYSA-N 0 0 380.307 4.467 40 0 GIABRN CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C ZINC000223484292 570468374 /nfs/dbraw/zinc/46/83/74/570468374.db2.gz PCDRBLUYPGATJH-OAQYLSRUSA-N 0 0 384.495 4.468 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223505078 570469020 /nfs/dbraw/zinc/46/90/20/570469020.db2.gz GAUMZPSPGLRVCB-LJQANCHMSA-N 0 0 398.572 4.090 40 0 GIABRN Cn1c(-c2ccc(F)cc2)cnc1NC(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 ZINC000035316567 570469981 /nfs/dbraw/zinc/46/99/81/570469981.db2.gz CTXFTQZUJNEWIW-CQSZACIVSA-N 0 0 396.466 4.039 40 0 GIABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223561085 570471517 /nfs/dbraw/zinc/47/15/17/570471517.db2.gz NIRKWQHOEGAEIQ-NRFANRHFSA-N 0 0 394.559 4.222 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1 ZINC000223607634 570474030 /nfs/dbraw/zinc/47/40/30/570474030.db2.gz QWGSXLMHGWGXLE-QFIPXVFZSA-N 0 0 396.531 4.098 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 ZINC000223622806 570475097 /nfs/dbraw/zinc/47/50/97/570475097.db2.gz VKQTXXQFZLTXQU-HXUWFJFHSA-N 0 0 396.531 4.016 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000223667896 570477931 /nfs/dbraw/zinc/47/79/31/570477931.db2.gz CMLZPABTJXKIIX-HXUWFJFHSA-N 0 0 396.531 4.016 40 0 GIABRN COC(=O)C1=NC(=S)N[C@H](c2ccccc2)[C@H]1c1nc2ccccc2s1 ZINC000006379193 570478336 /nfs/dbraw/zinc/47/83/36/570478336.db2.gz ZBRZDYNVWPWRBQ-HUUCEWRRSA-N 0 0 381.482 4.035 40 0 GIABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(C)cc2Cl)cc1 ZINC000006386314 570478735 /nfs/dbraw/zinc/47/87/35/570478735.db2.gz KCYCHIUFISYBJJ-UHFFFAOYSA-N 0 0 375.881 4.124 40 0 GIABRN C[C@H](CCCNC(=O)Nc1ccc(F)cc1)CNC(=O)Nc1ccc(F)cc1 ZINC000006416351 570479590 /nfs/dbraw/zinc/47/95/90/570479590.db2.gz JINHQKMLODGJFL-CQSZACIVSA-N 0 0 390.434 4.324 40 0 GIABRN COc1ccc(CCC(=O)NCCOc2ccccc2C(C)(C)C)cc1OC ZINC000223712065 570480683 /nfs/dbraw/zinc/48/06/83/570480683.db2.gz JGIYWBBMLGQWGN-UHFFFAOYSA-N 0 0 385.504 4.129 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)Cc2ccc(SC)cc2)cc1C(C)C ZINC000223741774 570482139 /nfs/dbraw/zinc/48/21/39/570482139.db2.gz YQZJXFRZFBBECV-UHFFFAOYSA-N 0 0 379.547 4.361 40 0 GIABRN O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)C(F)(F)F)C1CCCC1 ZINC000000800200 570482675 /nfs/dbraw/zinc/48/26/75/570482675.db2.gz LWWRELYZKPPRFS-HNNXBMFYSA-N 0 0 388.455 4.182 40 0 GIABRN O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1cc2ccccc2o1 ZINC000006529820 570482808 /nfs/dbraw/zinc/48/28/08/570482808.db2.gz QXCJXHWJGWRCIR-UHFFFAOYSA-N 0 0 382.375 4.486 40 0 GIABRN O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)C(F)(F)F)c1ccccc1 ZINC000000800239 570482848 /nfs/dbraw/zinc/48/28/48/570482848.db2.gz IKPFZKFEZCOHPZ-MRXNPFEDSA-N 0 0 396.434 4.444 40 0 GIABRN CC(C)c1ccccc1OCCNC(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223762861 570483433 /nfs/dbraw/zinc/48/34/33/570483433.db2.gz PHMZIBOEIHNNAF-UHFFFAOYSA-N 0 0 388.467 4.119 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000223809362 570485357 /nfs/dbraw/zinc/48/53/57/570485357.db2.gz XDHKLDOZHYRYFW-NRFANRHFSA-N 0 0 384.495 4.092 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 ZINC000223834489 570486182 /nfs/dbraw/zinc/48/61/82/570486182.db2.gz JULICYJKBFVVDS-AWEZNQCLSA-N 0 0 393.314 4.089 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C)cc1 ZINC000223871433 570488109 /nfs/dbraw/zinc/48/81/09/570488109.db2.gz QKQODWNXHDRISX-SFHVURJKSA-N 0 0 384.495 4.010 40 0 GIABRN COc1ccc(C)cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223918423 570489997 /nfs/dbraw/zinc/48/99/97/570489997.db2.gz IWZVOTFITKKJOF-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000223975814 570492383 /nfs/dbraw/zinc/49/23/83/570492383.db2.gz MQIUVCLWDVPTBH-HNNXBMFYSA-N 0 0 395.908 4.238 40 0 GIABRN COc1ccc(-c2n(O)c(-c3ccccc3)c(-c3ccccc3)[n+]2[O-])cc1OC ZINC000006793953 570493368 /nfs/dbraw/zinc/49/33/68/570493368.db2.gz JEKSWQDIXVQGEM-UHFFFAOYSA-N 0 0 388.423 4.377 40 0 GIABRN COc1ccc2c(c1)[C@H](NC(=O)c1ccc(OC)c(Cl)c1)CC(C)(C)O2 ZINC000224022382 570495065 /nfs/dbraw/zinc/49/50/65/570495065.db2.gz NDHWUPZKWZMLIC-MRXNPFEDSA-N 0 0 375.852 4.389 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccccc1 ZINC000224034886 570495482 /nfs/dbraw/zinc/49/54/82/570495482.db2.gz FIRFWKMFKNAMMF-HSZRJFAPSA-N 0 0 394.559 4.385 40 0 GIABRN Cc1cc(C)cc(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000224087226 570497995 /nfs/dbraw/zinc/49/79/95/570497995.db2.gz YXDGYZBRYHXLEA-SFHVURJKSA-N 0 0 398.522 4.317 40 0 GIABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000224113460 570499351 /nfs/dbraw/zinc/49/93/51/570499351.db2.gz OEIGGDJPUCIIBK-JOCHJYFZSA-N 0 0 378.516 4.095 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 ZINC000224138182 570500519 /nfs/dbraw/zinc/50/05/19/570500519.db2.gz VOTUWADOMRUQHB-OAQYLSRUSA-N 0 0 398.572 4.421 40 0 GIABRN CCOc1ccc(C(=O)NCc2ccc(OCC)c(OCC)c2)cc1Cl ZINC000224139647 570500542 /nfs/dbraw/zinc/50/05/42/570500542.db2.gz JJSFEERRPCKBTG-UHFFFAOYSA-N 0 0 377.868 4.466 40 0 GIABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1F ZINC000224154826 570501163 /nfs/dbraw/zinc/50/11/63/570501163.db2.gz XVPWMZGJXMTKGU-QFIPXVFZSA-N 0 0 396.506 4.234 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccnc2)N1c1ccccc1 ZINC000224154072 570501186 /nfs/dbraw/zinc/50/11/86/570501186.db2.gz LGXCBCHJBVMOOO-FGZHOGPDSA-N 0 0 397.507 4.444 40 0 GIABRN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2C)n1C ZINC000000869070 570501423 /nfs/dbraw/zinc/50/14/23/570501423.db2.gz VBBLFLXIEQHQRF-UHFFFAOYSA-N 0 0 386.908 4.483 40 0 GIABRN Cc1cc(C(=O)Nc2ccccc2F)ccc1N(C)S(=O)(=O)c1ccccc1 ZINC000224192011 570502907 /nfs/dbraw/zinc/50/29/07/570502907.db2.gz JCRTWJVJQXXQIM-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CC ZINC000224197403 570503258 /nfs/dbraw/zinc/50/32/58/570503258.db2.gz XTFCXVZTOYUBMC-HXUWFJFHSA-N 0 0 386.923 4.216 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224193954 570503441 /nfs/dbraw/zinc/50/34/41/570503441.db2.gz ZHSRFLFTFNQPNG-OAQYLSRUSA-N 0 0 394.559 4.426 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224196125 570503512 /nfs/dbraw/zinc/50/35/12/570503512.db2.gz YFRBNTBAJRWPQB-OAQYLSRUSA-N 0 0 394.559 4.344 40 0 GIABRN Cc1cc(C)c2cc(C)c3nnc(SCC(=O)N4CCCC[C@@H]4C)n3c2c1 ZINC000000877190 570503746 /nfs/dbraw/zinc/50/37/46/570503746.db2.gz NFUPOKPLFRGCAH-INIZCTEOSA-N 0 0 382.533 4.301 40 0 GIABRN CCc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N3CCC[C@@H](C)C3)n12 ZINC000000877141 570503869 /nfs/dbraw/zinc/50/38/69/570503869.db2.gz TWPSPQCHTMOSIQ-CQSZACIVSA-N 0 0 382.533 4.104 40 0 GIABRN O=C(N[C@@H]1CCCc2ccccc21)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000224221871 570504285 /nfs/dbraw/zinc/50/42/85/570504285.db2.gz MKAQFBDLFIBQHH-NCJDQSJGSA-N 0 0 386.451 4.244 40 0 GIABRN CCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000879061 570505147 /nfs/dbraw/zinc/50/51/47/570505147.db2.gz OVIBKUZWWVHPOB-UHFFFAOYSA-N 0 0 397.519 4.181 40 0 GIABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CC ZINC000224242733 570505290 /nfs/dbraw/zinc/50/52/90/570505290.db2.gz UHNJTWFSEGGZMK-FQEVSTJZSA-N 0 0 386.923 4.216 40 0 GIABRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCC1=CCCCC1 ZINC000224273433 570506744 /nfs/dbraw/zinc/50/67/44/570506744.db2.gz UORZUYUMJPZEQG-PGMHBOJBSA-N 0 0 378.472 4.366 40 0 GIABRN CCN(CC)[C@H]1Oc2cc3c(cc2[C@@H](c2cccc(OC)c2OC)[C@@H]1C)OCO3 ZINC000031861125 570507059 /nfs/dbraw/zinc/50/70/59/570507059.db2.gz XFZQJONSCZRGGL-RUGFAHKUSA-N 0 0 399.487 4.261 40 0 GIABRN Cc1ccc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccccc3)c2)cc1 ZINC000224288186 570507460 /nfs/dbraw/zinc/50/74/60/570507460.db2.gz SWIUZZKWYMANJO-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN Cc1nccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1cccc2c1CCCC2 ZINC000224316165 570508566 /nfs/dbraw/zinc/50/85/66/570508566.db2.gz LXQNYTFEHFMUMB-QGZVFWFLSA-N 0 0 389.499 4.143 40 0 GIABRN COc1ccc(CC(=O)NCCSCc2c(F)cccc2Cl)cc1C ZINC000224318028 570508926 /nfs/dbraw/zinc/50/89/26/570508926.db2.gz KKEWZAGRMQGYOP-UHFFFAOYSA-N 0 0 381.900 4.388 40 0 GIABRN CCOc1ccc(NC(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@@H]3C2(C)C)cc1 ZINC000000886757 570510950 /nfs/dbraw/zinc/51/09/50/570510950.db2.gz NRDVZAZQEPQUAK-YCRPNKLZSA-N 0 0 398.532 4.176 40 0 GIABRN CCCOc1ccc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000007668867 570511689 /nfs/dbraw/zinc/51/16/89/570511689.db2.gz OKUJWMZPNINSOX-UHFFFAOYSA-N 0 0 385.851 4.451 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(CC)cc1 ZINC000224386940 570511706 /nfs/dbraw/zinc/51/17/06/570511706.db2.gz PTTJHCOFQYZLFN-JOCHJYFZSA-N 0 0 398.522 4.264 40 0 GIABRN CCOCc1cc(C(=O)Nc2ccc3sc(C(=O)OC)cc3c2)ccc1OC ZINC000224409343 570512497 /nfs/dbraw/zinc/51/24/97/570512497.db2.gz OTYDSLVZMRTBAL-UHFFFAOYSA-N 0 0 399.468 4.485 40 0 GIABRN Cc1cc(C)cc(OCC(=O)Nc2nnc(SCc3ccccc3)s2)c1 ZINC000007688080 570512652 /nfs/dbraw/zinc/51/26/52/570512652.db2.gz JYEKAHNYWVACFR-UHFFFAOYSA-N 0 0 385.514 4.465 40 0 GIABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCOc1ccccc1OC ZINC000224456187 570513749 /nfs/dbraw/zinc/51/37/49/570513749.db2.gz KQQKECQVCLUQKR-LJQANCHMSA-N 0 0 379.456 4.201 40 0 GIABRN CC[C@@H]1CCCCN1C(=O)CSc1nnc2c(C)cc3ccc(C)cc3n12 ZINC000000903091 570515036 /nfs/dbraw/zinc/51/50/36/570515036.db2.gz GLJSOWOMHHIMNY-QGZVFWFLSA-N 0 0 382.533 4.383 40 0 GIABRN O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000224530348 570516854 /nfs/dbraw/zinc/51/68/54/570516854.db2.gz DONNGJHABXDVIG-UHFFFAOYSA-N 0 0 385.420 4.271 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1cccs1 ZINC000224539537 570517311 /nfs/dbraw/zinc/51/73/11/570517311.db2.gz ABITUTIIVYKPJM-UHFFFAOYSA-N 0 0 392.889 4.455 40 0 GIABRN Cc1nnc(NC(=O)CCCC(=O)OCc2ccc(Cl)cc2Cl)s1 ZINC000008474114 570518768 /nfs/dbraw/zinc/51/87/68/570518768.db2.gz CRTOFHMXFDVZSY-UHFFFAOYSA-N 0 0 388.276 4.006 40 0 GIABRN Cc1cc(C)c(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 ZINC000007872130 570519197 /nfs/dbraw/zinc/51/91/97/570519197.db2.gz ZQAXPBMQCIWRKB-HNNXBMFYSA-N 0 0 394.924 4.058 40 0 GIABRN CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1OC ZINC000224585254 570519262 /nfs/dbraw/zinc/51/92/62/570519262.db2.gz CFIVPAPXNXJMSC-WOJBJXKFSA-N 0 0 378.501 4.089 40 0 GIABRN Cc1cc(C)c(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 ZINC000007872129 570519285 /nfs/dbraw/zinc/51/92/85/570519285.db2.gz ZQAXPBMQCIWRKB-OAHLLOKOSA-N 0 0 394.924 4.058 40 0 GIABRN Cc1c2ccccc2oc1C(=O)N1CC2(C1)C[C@H](OCc1ccncc1)CS2 ZINC000575404675 570520806 /nfs/dbraw/zinc/52/08/06/570520806.db2.gz UFDVRAXRNNPKEW-KRWDZBQOSA-N 0 0 394.496 4.053 40 0 GIABRN CCOC(=O)c1cccc(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)c1 ZINC000008014974 570520980 /nfs/dbraw/zinc/52/09/80/570520980.db2.gz UVXLRGKDSOHYSZ-UHFFFAOYSA-N 0 0 389.864 4.124 40 0 GIABRN CCOc1ccc([C@@H](C)NC(=O)c2cccc(N3CCCC3=O)c2)cc1OCC ZINC000008031578 570521231 /nfs/dbraw/zinc/52/12/31/570521231.db2.gz ZOKUNFKSRAOUTH-MRXNPFEDSA-N 0 0 396.487 4.102 40 0 GIABRN COc1cc(CNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000008062661 570521752 /nfs/dbraw/zinc/52/17/52/570521752.db2.gz ZROUFZRFDHRBQM-FNORWQNLSA-N 0 0 396.270 4.349 40 0 GIABRN O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCC(Cc2ccccc2)CC1 ZINC000008072086 570522177 /nfs/dbraw/zinc/52/21/77/570522177.db2.gz GDKNZQMSLNRBOZ-UHFFFAOYSA-N 0 0 393.462 4.290 40 0 GIABRN Cc1cc(C)cc(N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)c1 ZINC000224655646 570522641 /nfs/dbraw/zinc/52/26/41/570522641.db2.gz KGXARPXBVFVSMW-UHFFFAOYSA-N 0 0 396.597 4.181 40 0 GIABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CCc1ccccc1 ZINC000224674944 570523922 /nfs/dbraw/zinc/52/39/22/570523922.db2.gz NARSCYQSJLSXBJ-GOSISDBHSA-N 0 0 396.506 4.234 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl ZINC000224703211 570525777 /nfs/dbraw/zinc/52/57/77/570525777.db2.gz WBLKLFLOCDHWNQ-QGZVFWFLSA-N 0 0 386.923 4.134 40 0 GIABRN CC(C)(C)c1ccc(/C=C/C(=O)NCc2cccc(CN3CCOCC3)c2)cc1 ZINC000224706350 570526242 /nfs/dbraw/zinc/52/62/42/570526242.db2.gz AMRZRADAYHDVQF-FMIVXFBMSA-N 0 0 392.543 4.146 40 0 GIABRN CCN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224716256 570526402 /nfs/dbraw/zinc/52/64/02/570526402.db2.gz VRZFLFAFBZYPPA-UHFFFAOYSA-N 0 0 392.677 4.457 40 0 GIABRN CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1 ZINC000028077144 570527111 /nfs/dbraw/zinc/52/71/11/570527111.db2.gz MPAACAIIUDEHEN-UHFFFAOYSA-N 0 0 380.473 4.442 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000224740851 570528113 /nfs/dbraw/zinc/52/81/13/570528113.db2.gz NCFPHXKNLGESRO-FQEVSTJZSA-N 0 0 380.532 4.098 40 0 GIABRN COC(=O)CCc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1 ZINC000033607146 570528267 /nfs/dbraw/zinc/52/82/67/570528267.db2.gz VRBLLGLKTUGCSG-UHFFFAOYSA-N 0 0 387.867 4.183 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1 ZINC000224742106 570528796 /nfs/dbraw/zinc/52/87/96/570528796.db2.gz WFCRIBPZJTYAGX-LJQANCHMSA-N 0 0 398.572 4.172 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccccc1 ZINC000224764735 570529986 /nfs/dbraw/zinc/52/99/86/570529986.db2.gz LBRLTQKJKPXYCW-HXUWFJFHSA-N 0 0 396.531 4.098 40 0 GIABRN COc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1C ZINC000224766143 570530059 /nfs/dbraw/zinc/53/00/59/570530059.db2.gz ZZPSUTROWFXIAE-UHFFFAOYSA-N 0 0 388.467 4.228 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 ZINC000224812352 570531766 /nfs/dbraw/zinc/53/17/66/570531766.db2.gz UWSPWHZHTJSFCS-KRWDZBQOSA-N 0 0 386.923 4.134 40 0 GIABRN S=c1nc2ccccc2c2[nH]c(CSc3nc4ccccc4s3)nn21 ZINC000008559877 570534397 /nfs/dbraw/zinc/53/43/97/570534397.db2.gz UNUYJOFZJBSFQZ-UHFFFAOYSA-N 0 0 381.511 4.468 40 0 GIABRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)[nH]1 ZINC000224885448 570536595 /nfs/dbraw/zinc/53/65/95/570536595.db2.gz CQOUUDJKBXWCJB-ZWKOTPCHSA-N 0 0 384.892 4.254 40 0 GIABRN O=C(Nc1nccs1)[C@@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl ZINC000001085128 570537472 /nfs/dbraw/zinc/53/74/72/570537472.db2.gz FTZBWFSPMTXZTL-RKDXNWHRSA-N 0 0 395.695 4.093 40 0 GIABRN Cc1cc(OCC(=O)Nc2ccc(N3CCCC3)cc2)ccc1Br ZINC000224919136 570538222 /nfs/dbraw/zinc/53/82/22/570538222.db2.gz WROVKDWMAZWFBP-UHFFFAOYSA-N 0 0 389.293 4.375 40 0 GIABRN COc1ccc(-c2cnc(-c3ccccc3C(=O)NCC(C)C)o2)c(OC)c1 ZINC000224929552 570538670 /nfs/dbraw/zinc/53/86/70/570538670.db2.gz YWWDPDNUSIQBPP-UHFFFAOYSA-N 0 0 380.444 4.412 40 0 GIABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224928784 570538790 /nfs/dbraw/zinc/53/87/90/570538790.db2.gz SCMNMXHBFBBESF-FQEVSTJZSA-N 0 0 386.923 4.215 40 0 GIABRN Cc1cc(C)cc(-c2nnc(SCC(=O)N3c4ccccc4C[C@@H]3C)o2)c1 ZINC000000929475 570539793 /nfs/dbraw/zinc/53/97/93/570539793.db2.gz CQXXEWKBMRUIDB-HNNXBMFYSA-N 0 0 379.485 4.423 40 0 GIABRN CC(C)Oc1cccc(CNC(=O)c2cccc(I)c2)c1 ZINC000224963732 570540090 /nfs/dbraw/zinc/54/00/90/570540090.db2.gz FTOIYRSCJGMLTR-UHFFFAOYSA-N 0 0 395.240 4.008 40 0 GIABRN Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)N3CCCC[C@H]3C)n12 ZINC000000929750 570540316 /nfs/dbraw/zinc/54/03/16/570540316.db2.gz VOKCQZDGBQTDLK-MRXNPFEDSA-N 0 0 382.533 4.301 40 0 GIABRN Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)N3CCCC[C@@H]3C)n12 ZINC000000929751 570540340 /nfs/dbraw/zinc/54/03/40/570540340.db2.gz VOKCQZDGBQTDLK-INIZCTEOSA-N 0 0 382.533 4.301 40 0 GIABRN CCN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccc(SC)cc1 ZINC000224991912 570541813 /nfs/dbraw/zinc/54/18/13/570541813.db2.gz BSSMUBSPPVRVJE-UHFFFAOYSA-N 0 0 399.921 4.064 40 0 GIABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000224985309 570541822 /nfs/dbraw/zinc/54/18/22/570541822.db2.gz OAUQBVAEUFAWRU-UHFFFAOYSA-N 0 0 386.879 4.372 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl ZINC000225010797 570543491 /nfs/dbraw/zinc/54/34/91/570543491.db2.gz LSTHHPFYHDGHRC-DLBZAZTESA-N 0 0 386.923 4.215 40 0 GIABRN O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCOCC2)cc1 ZINC000225018135 570543645 /nfs/dbraw/zinc/54/36/45/570543645.db2.gz NDHITODKVVNJFD-UHFFFAOYSA-N 0 0 379.287 4.401 40 0 GIABRN Cc1ccc(C(=O)N[C@H](C)CCc2ccccc2)c(I)c1 ZINC000225022521 570544182 /nfs/dbraw/zinc/54/41/82/570544182.db2.gz HAPBDAWOHFAFNL-CQSZACIVSA-N 0 0 393.268 4.351 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1F ZINC000225052756 570545379 /nfs/dbraw/zinc/54/53/79/570545379.db2.gz JQHPYUSNJKLZDZ-ROUUACIJSA-N 0 0 384.495 4.009 40 0 GIABRN COC(=O)c1c(C)c(C(=O)Nc2ccc(C)c(Cl)c2)sc1NC(C)=O ZINC000000976190 570545595 /nfs/dbraw/zinc/54/55/95/570545595.db2.gz IQXRBUZCOLHTII-UHFFFAOYSA-N 0 0 380.853 4.016 40 0 GIABRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)[nH]1 ZINC000225059395 570545671 /nfs/dbraw/zinc/54/56/71/570545671.db2.gz CLEZBQYZHCNUAG-RTWAWAEBSA-N 0 0 391.544 4.193 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000225059058 570545738 /nfs/dbraw/zinc/54/57/38/570545738.db2.gz AXDAFTBKABMVMB-XMMPIXPASA-N 0 0 392.543 4.067 40 0 GIABRN CCOc1ccc(CNC(=O)c2ccc(OCC)c(OCC)c2)cc1OCC ZINC000225063215 570546101 /nfs/dbraw/zinc/54/61/01/570546101.db2.gz FSXIPGAMMQLURE-UHFFFAOYSA-N 0 0 387.476 4.211 40 0 GIABRN Cn1c(=O)sc2cc(NC(=O)CCc3c(Cl)cccc3Cl)ccc21 ZINC000225071651 570547012 /nfs/dbraw/zinc/54/70/12/570547012.db2.gz CSMBIWUPHOWYMC-UHFFFAOYSA-N 0 0 381.284 4.478 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 ZINC000225083245 570547347 /nfs/dbraw/zinc/54/73/47/570547347.db2.gz KTJYUSXPVRBOPL-PMACEKPBSA-N 0 0 380.532 4.178 40 0 GIABRN CCn1c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2sc1=O ZINC000225092526 570548059 /nfs/dbraw/zinc/54/80/59/570548059.db2.gz YIVFVKJCPUJWTJ-UHFFFAOYSA-N 0 0 384.482 4.037 40 0 GIABRN CCn1c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2sc1=O ZINC000225121486 570550275 /nfs/dbraw/zinc/55/02/75/570550275.db2.gz IEPQCOMIFFGOTO-UHFFFAOYSA-N 0 0 378.453 4.254 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225117103 570550292 /nfs/dbraw/zinc/55/02/92/570550292.db2.gz LYWIDDFIDRIVJX-LEWJYISDSA-N 0 0 394.559 4.486 40 0 GIABRN O=C(CSc1nc(COc2ccccc2)nc2ccccc21)N1CCCCC1 ZINC000035311211 570551196 /nfs/dbraw/zinc/55/11/96/570551196.db2.gz ADGSUWFOCHHWQT-UHFFFAOYSA-N 0 0 393.512 4.313 40 0 GIABRN COc1ccc(NC(=O)CN2CCC(c3nc4cc(C)c(C)cc4[nH]3)CC2)cc1 ZINC000035291737 570551250 /nfs/dbraw/zinc/55/12/50/570551250.db2.gz SZYYTQJDELNHQH-UHFFFAOYSA-N 0 0 392.503 4.006 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 ZINC000225134490 570551405 /nfs/dbraw/zinc/55/14/05/570551405.db2.gz IKLPMUIBZVQVGP-DLBZAZTESA-N 0 0 386.923 4.215 40 0 GIABRN CCc1ccc(OCCNC(=O)CSCc2ccc(Cl)cc2F)cc1 ZINC000225164835 570553161 /nfs/dbraw/zinc/55/31/61/570553161.db2.gz GJKUIFASNQAOIA-UHFFFAOYSA-N 0 0 381.900 4.470 40 0 GIABRN O=C1S/C(=C/c2coc3ccccc3c2=O)C(=O)N1CCc1ccccc1 ZINC000009233888 570553182 /nfs/dbraw/zinc/55/31/82/570553182.db2.gz KETOOVHYWFGIQG-LDADJPATSA-N 0 0 377.421 4.072 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C)cc1 ZINC000225188264 570554828 /nfs/dbraw/zinc/55/48/28/570554828.db2.gz SKYZKAIQWLACEG-IBGZPJMESA-N 0 0 398.522 4.400 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F ZINC000225193982 570555390 /nfs/dbraw/zinc/55/53/90/570555390.db2.gz CFPFQNXTQUGWDW-OAQYLSRUSA-N 0 0 384.495 4.010 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000225213705 570556694 /nfs/dbraw/zinc/55/66/94/570556694.db2.gz UZVINFQYSTTZOF-MSOLQXFVSA-N 0 0 384.495 4.090 40 0 GIABRN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036171688 570557062 /nfs/dbraw/zinc/55/70/62/570557062.db2.gz YQDUBVJATLTELR-UHFFFAOYSA-N 0 0 377.271 4.484 40 0 GIABRN Cc1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1C ZINC000225225056 570557644 /nfs/dbraw/zinc/55/76/44/570557644.db2.gz HQXBWYRPOCASMJ-UHFFFAOYSA-N 0 0 387.483 4.200 40 0 GIABRN COC(=O)c1cc(NC(=S)NCCSCc2ccccc2)ccc1Cl ZINC000225290638 570562205 /nfs/dbraw/zinc/56/22/05/570562205.db2.gz NYOLMPGHADPHRH-UHFFFAOYSA-N 0 0 394.949 4.346 40 0 GIABRN O=C(CCc1ccc(Cl)cc1)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000225311890 570563913 /nfs/dbraw/zinc/56/39/13/570563913.db2.gz HBBVGWDCUQCNMD-UHFFFAOYSA-N 0 0 376.243 4.292 40 0 GIABRN CC[C@@H](NC(=O)CN1c2cccc3cccc(c23)C1=O)c1ccc(OC)c(C)c1 ZINC000225312757 570563960 /nfs/dbraw/zinc/56/39/60/570563960.db2.gz NNRZGOROSBPRKH-LJQANCHMSA-N 0 0 388.467 4.385 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)NCc2ccc(OC)cc2)cc1Cl ZINC000225314705 570564351 /nfs/dbraw/zinc/56/43/51/570564351.db2.gz FVBMTOPKGULEMC-UHFFFAOYSA-N 0 0 378.881 4.012 40 0 GIABRN O=C(CCc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)CC1 ZINC000225325253 570564798 /nfs/dbraw/zinc/56/47/98/570564798.db2.gz FZRIRLWOBHTWGD-UHFFFAOYSA-N 0 0 377.315 4.270 40 0 GIABRN Cc1cc2cc(C)c(C)cc2n2c(SCC(=O)Nc3cccc(O)c3)nnc12 ZINC000001223265 570565193 /nfs/dbraw/zinc/56/51/93/570565193.db2.gz DSIDEUJZCPNTCF-UHFFFAOYSA-N 0 0 392.484 4.244 40 0 GIABRN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)OC1CCCCC1 ZINC000001224411 570565527 /nfs/dbraw/zinc/56/55/27/570565527.db2.gz JFCDWNRLDPJBGC-UHFFFAOYSA-N 0 0 383.473 4.495 40 0 GIABRN CSCC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1nnc2ccccn21 ZINC000036625380 570566148 /nfs/dbraw/zinc/56/61/48/570566148.db2.gz SHOHTWZTGKOLJC-OJXHRBAXSA-N 0 0 386.908 4.007 40 0 GIABRN COc1cccc2c(C)nc(Nc3nc(-c4ccccc4Cl)cc(=O)[nH]3)nc12 ZINC000010157419 570566435 /nfs/dbraw/zinc/56/64/35/570566435.db2.gz RRPSDLLDWFKBKV-UHFFFAOYSA-N 0 0 393.834 4.094 40 0 GIABRN COc1ccc(NC(=S)NCCSCc2ccccc2C)cc1OC ZINC000225360604 570567147 /nfs/dbraw/zinc/56/71/47/570567147.db2.gz MKKBNVVCYRRRPU-UHFFFAOYSA-N 0 0 376.547 4.232 40 0 GIABRN O=C(CCc1c(Cl)cccc1Cl)NCc1nc(-c2ccccc2)no1 ZINC000225363849 570567465 /nfs/dbraw/zinc/56/74/65/570567465.db2.gz ZFAOFLCQSVRZHD-UHFFFAOYSA-N 0 0 376.243 4.292 40 0 GIABRN S=C(NCc1ccc2c(c1)OCO2)Nc1ccc(Br)c(Cl)c1 ZINC000225376921 570568375 /nfs/dbraw/zinc/56/83/75/570568375.db2.gz AIADZDNEIGBVTJ-UHFFFAOYSA-N 0 0 399.697 4.318 40 0 GIABRN Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 ZINC000010330484 570569510 /nfs/dbraw/zinc/56/95/10/570569510.db2.gz XUIIHKKWHFGNLF-OAHLLOKOSA-N 0 0 394.924 4.058 40 0 GIABRN Cc1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c(C)c1 ZINC000010337353 570569687 /nfs/dbraw/zinc/56/96/87/570569687.db2.gz XCBAZLUZJAHLMU-HNNXBMFYSA-N 0 0 394.924 4.058 40 0 GIABRN CC[C@@H](C(=O)Nc1nnc(Cc2c[nH]c3ccccc23)s1)n1nc(C)cc1C ZINC000036752590 570569681 /nfs/dbraw/zinc/56/96/81/570569681.db2.gz TVUVHIUHWUHSRN-KRWDZBQOSA-N 0 0 394.504 4.013 40 0 GIABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000010429160 570570346 /nfs/dbraw/zinc/57/03/46/570570346.db2.gz IAICITVFJKIQEY-CQSZACIVSA-N 0 0 389.293 4.455 40 0 GIABRN Cc1nn2c(nnc3c2ccn([C@H]2CCC[C@@H](C)[C@@H]2C)c3=O)c1-c1ccccc1 ZINC000040390957 570570740 /nfs/dbraw/zinc/57/07/40/570570740.db2.gz WZCJNUBTNWLNAG-VKJFTORMSA-N 0 0 387.487 4.412 40 0 GIABRN CCN(C(=O)c1ccc(OC)c(OC)c1)c1nnc(-c2cccc(C)c2)s1 ZINC000001345406 570572229 /nfs/dbraw/zinc/57/22/29/570572229.db2.gz QVPYPOBTJOYGHL-UHFFFAOYSA-N 0 0 383.473 4.197 40 0 GIABRN COc1ccccc1C(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000001346719 570572621 /nfs/dbraw/zinc/57/26/21/570572621.db2.gz OJKIKNXIMUARDM-UHFFFAOYSA-N 0 0 390.483 4.430 40 0 GIABRN C[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000010968557 570574365 /nfs/dbraw/zinc/57/43/65/570574365.db2.gz PSEOBSWGESAZLT-MRXNPFEDSA-N 0 0 387.545 4.198 40 0 GIABRN COc1ccc(OCCCC(=O)NCCOc2ccc3ccccc3c2)cc1 ZINC000010995013 570574647 /nfs/dbraw/zinc/57/46/47/570574647.db2.gz ISKQXUCKOGVZNH-UHFFFAOYSA-N 0 0 379.456 4.203 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccc(OC(C)C)cc2)c1 ZINC000225447236 570574885 /nfs/dbraw/zinc/57/48/85/570574885.db2.gz NTPKUQUEQLLBKK-UHFFFAOYSA-N 0 0 386.517 4.446 40 0 GIABRN S=C(NCc1ccc(-n2ccnc2)cc1)Nc1ccc(Br)cc1 ZINC000225452700 570575556 /nfs/dbraw/zinc/57/55/56/570575556.db2.gz PBJAJORTKVHLOO-UHFFFAOYSA-N 0 0 387.306 4.121 40 0 GIABRN COc1ccc([C@H](C)NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000225466541 570577244 /nfs/dbraw/zinc/57/72/44/570577244.db2.gz LOIYIZQQBXFDNF-HNNXBMFYSA-N 0 0 383.517 4.178 40 0 GIABRN Cc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4c(F)cccc4F)C3)n2)cc1 ZINC000001363168 570577312 /nfs/dbraw/zinc/57/73/12/570577312.db2.gz YGJHPNPALYHQTP-OAHLLOKOSA-N 0 0 383.398 4.343 40 0 GIABRN CCCc1nc2ccc(NC(=O)CC)cc2c(=O)n1Cc1ccc(Cl)cc1 ZINC000001363180 570577690 /nfs/dbraw/zinc/57/76/90/570577690.db2.gz VPUAKHMPWZFKJM-UHFFFAOYSA-N 0 0 383.879 4.399 40 0 GIABRN CC(=O)N1CCc2cc(-c3csc(NC(=O)CCc4ccccc4)n3)ccc21 ZINC000001365510 570578928 /nfs/dbraw/zinc/57/89/28/570578928.db2.gz HVLQJWWZCWBVTF-UHFFFAOYSA-N 0 0 391.496 4.290 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 ZINC000225491085 570579401 /nfs/dbraw/zinc/57/94/01/570579401.db2.gz ZTFSGLOGJVFZRZ-LAUBAEHRSA-N 0 0 384.495 4.090 40 0 GIABRN Cc1ccc2cc(CN(C(=O)c3cccs3)C3CCCC3)c3nnnn3c2c1 ZINC000001367285 570580089 /nfs/dbraw/zinc/58/00/89/570580089.db2.gz SPGLPUYQQOXOAO-UHFFFAOYSA-N 0 0 391.500 4.232 40 0 GIABRN COCCNC(=O)c1cc(N)ccc1Nc1ccccc1Oc1ccccc1 ZINC000225495269 570580298 /nfs/dbraw/zinc/58/02/98/570580298.db2.gz RPBCCZIWLYDRMZ-UHFFFAOYSA-N 0 0 377.444 4.181 40 0 GIABRN Cc1ccc2c(c1)cc(CN(C(=O)C1CCC1)C1CCCCC1)c1nnnn12 ZINC000001376910 570581895 /nfs/dbraw/zinc/58/18/95/570581895.db2.gz IEIQKHCTRKZJPW-UHFFFAOYSA-N 0 0 377.492 4.047 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2cc(C)ccc2C)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225511476 570581968 /nfs/dbraw/zinc/58/19/68/570581968.db2.gz GVSIGEICIVBMLN-FQEVSTJZSA-N 0 0 380.532 4.096 40 0 GIABRN CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(-n2ccnc2C)cc1 ZINC000038771893 570583124 /nfs/dbraw/zinc/58/31/24/570583124.db2.gz JISJNWQUWPZCHL-NRFANRHFSA-N 0 0 377.488 4.271 40 0 GIABRN O=C(NC1CCCC1)[C@@H](c1ccco1)N(C(=O)c1ccco1)c1ccc(F)cc1 ZINC000001382771 570584901 /nfs/dbraw/zinc/58/49/01/570584901.db2.gz KIRNUXKDYXSZJD-HXUWFJFHSA-N 0 0 396.418 4.459 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)s2)cc1 ZINC000225541392 570585997 /nfs/dbraw/zinc/58/59/97/570585997.db2.gz KBFKZWKWUJRURI-LLVKDONJSA-N 0 0 389.864 4.273 40 0 GIABRN COC(=O)c1cc(NC(=S)NCCCc2ccccc2OC)ccc1Cl ZINC000225550722 570587061 /nfs/dbraw/zinc/58/70/61/570587061.db2.gz QXSILIXJAWAYDV-UHFFFAOYSA-N 0 0 392.908 4.054 40 0 GIABRN O=C(Cc1ccccc1)N1CCC2(CC1)CC(=O)c1c(ccc3ccccc31)O2 ZINC000039226614 570589608 /nfs/dbraw/zinc/58/96/08/570589608.db2.gz AUGBAPDBSPFBOJ-UHFFFAOYSA-N 0 0 385.463 4.409 40 0 GIABRN O=C(Nc1ccc(I)cc1)c1ccc2c(c1)CCCC2 ZINC000039897730 570593863 /nfs/dbraw/zinc/59/38/63/570593863.db2.gz VYMPORFDMQZCJZ-UHFFFAOYSA-N 0 0 377.225 4.422 40 0 GIABRN CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 ZINC000225653160 570598373 /nfs/dbraw/zinc/59/83/73/570598373.db2.gz WVLNQGADHIYYPI-GOSISDBHSA-N 0 0 381.516 4.480 40 0 GIABRN O=c1c2cnc3c(-c4ccccc4)cnn3c2ccn1Cc1ccc(Cl)cc1 ZINC000040387668 570599501 /nfs/dbraw/zinc/59/95/01/570599501.db2.gz MEVDKQNANRIOJQ-UHFFFAOYSA-N 0 0 386.842 4.413 40 0 GIABRN COc1cc(C)c(C(=O)NCc2cccc(N3CCCC3=O)c2)cc1C(C)C ZINC000225666885 570600037 /nfs/dbraw/zinc/60/00/37/570600037.db2.gz RCJMBSNBURNZJX-UHFFFAOYSA-N 0 0 380.488 4.184 40 0 GIABRN COc1ccc(-c2noc(CN(C)C(=O)C3(c4ccccc4)CCCC3)n2)cc1 ZINC000225668968 570600757 /nfs/dbraw/zinc/60/07/57/570600757.db2.gz DAUUMJVOPGSCTN-UHFFFAOYSA-N 0 0 391.471 4.216 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)CCSCc3ccccc3)s2)cc1 ZINC000225671058 570601046 /nfs/dbraw/zinc/60/10/46/570601046.db2.gz BJNUACLPPDOWAO-UHFFFAOYSA-N 0 0 385.514 4.476 40 0 GIABRN Cc1nc2nc3ccn([C@H]4CCCC[C@H]4C)c(=O)c3c(-c3ccc(F)cc3)n2n1 ZINC000040398550 570602331 /nfs/dbraw/zinc/60/23/31/570602331.db2.gz OMNAQROCNLFTHF-ACJLOTCBSA-N 0 0 391.450 4.305 40 0 GIABRN Cc1ccc(C)c(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000225690150 570603578 /nfs/dbraw/zinc/60/35/78/570603578.db2.gz UJPBBDVMZZEPRX-IBGZPJMESA-N 0 0 398.522 4.175 40 0 GIABRN COC(=O)c1ccc(C)c(NC(=S)N[C@H]2CCCc3cc(OC)ccc32)c1 ZINC000225703541 570606006 /nfs/dbraw/zinc/60/60/06/570606006.db2.gz WFFGQELZGDQWNW-SFHVURJKSA-N 0 0 384.501 4.154 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c1C ZINC000225703394 570606133 /nfs/dbraw/zinc/60/61/33/570606133.db2.gz FANMXPVPCWYAGM-UHFFFAOYSA-N 0 0 376.503 4.062 40 0 GIABRN CCCCc1nc(Cl)c(CN2CCC[C@H](n3c4ccccc4oc3=O)C2)[nH]1 ZINC000012087606 570606810 /nfs/dbraw/zinc/60/68/10/570606810.db2.gz GFEFUVVJEPGDJP-AWEZNQCLSA-N 0 0 388.899 4.151 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000225715861 570607872 /nfs/dbraw/zinc/60/78/72/570607872.db2.gz RFOAWQLQPUJHBG-QFIPXVFZSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000225719194 570608489 /nfs/dbraw/zinc/60/84/89/570608489.db2.gz VLUVFDBSTSTIJU-HXUWFJFHSA-N 0 0 386.923 4.215 40 0 GIABRN CCCn1c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2sc1=O ZINC000225721960 570608711 /nfs/dbraw/zinc/60/87/11/570608711.db2.gz DMBHAFDDSZRFER-UHFFFAOYSA-N 0 0 398.509 4.427 40 0 GIABRN Cc1nn2c(nc3c(c2NCCCn2ccnc2)CCC3)c1-c1ccc(F)cc1 ZINC000012113387 570609126 /nfs/dbraw/zinc/60/91/26/570609126.db2.gz LMQHCBYSAULUMT-UHFFFAOYSA-N 0 0 390.466 4.031 40 0 GIABRN Cc1ccc(-c2nnc(CNC(=O)C3(c4ccc(Cl)cc4)CCC3)[nH]2)cc1 ZINC000012114702 570610093 /nfs/dbraw/zinc/61/00/93/570610093.db2.gz VALFROYEFKTHPG-UHFFFAOYSA-N 0 0 380.879 4.172 40 0 GIABRN COc1ccc(NC(=O)c2ncoc2-c2ccccc2C(F)(F)F)c(OC)n1 ZINC000012115187 570610543 /nfs/dbraw/zinc/61/05/43/570610543.db2.gz RAEXBBFWQRLJQW-UHFFFAOYSA-N 0 0 393.321 4.025 40 0 GIABRN CCOc1ccc([C@H](C)NC(=S)Nc2ccc3c(c2)OCO3)cc1OCC ZINC000225749819 570612836 /nfs/dbraw/zinc/61/28/36/570612836.db2.gz FMXBQMWRYQOSAL-ZDUSSCGKSA-N 0 0 388.489 4.260 40 0 GIABRN O=C(CCC1CCCC1)N1CCC(n2nc(-c3cccs3)ccc2=O)CC1 ZINC000012132104 570613506 /nfs/dbraw/zinc/61/35/06/570613506.db2.gz JFFKSRNKKZPHRE-UHFFFAOYSA-N 0 0 385.533 4.106 40 0 GIABRN CCOC(=O)c1cc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)ccc1OC ZINC000225753532 570613779 /nfs/dbraw/zinc/61/37/79/570613779.db2.gz YRZFQMCASZBUHD-UHFFFAOYSA-N 0 0 397.471 4.331 40 0 GIABRN CCn1c2ccccc2nc1N1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000012145800 570616374 /nfs/dbraw/zinc/61/63/74/570616374.db2.gz KSWPNWWDUUYZJW-QGZVFWFLSA-N 0 0 376.504 4.150 40 0 GIABRN CCc1nc2cc(NC(=O)c3cc(-c4ccccc4OC)on3)ccc2n1C ZINC000012147374 570617126 /nfs/dbraw/zinc/61/71/26/570617126.db2.gz NQVLLGREBRXEJF-UHFFFAOYSA-N 0 0 376.416 4.052 40 0 GIABRN COC(=O)c1cccc(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)c1C ZINC000225790474 570617687 /nfs/dbraw/zinc/61/76/87/570617687.db2.gz OGGIHBOHXDCNCK-HNNXBMFYSA-N 0 0 386.517 4.152 40 0 GIABRN COc1cc(NC(=O)C2(c3ccccc3)CCOCC2)c(OC)cc1Cl ZINC000041765699 570617841 /nfs/dbraw/zinc/61/78/41/570617841.db2.gz HLNROJRHOHLEQS-UHFFFAOYSA-N 0 0 375.852 4.044 40 0 GIABRN O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1ccccc1Br ZINC000225799426 570618577 /nfs/dbraw/zinc/61/85/77/570618577.db2.gz MKHONQPNNIZRIC-UHFFFAOYSA-N 0 0 390.212 4.210 40 0 GIABRN CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 ZINC000225800071 570618597 /nfs/dbraw/zinc/61/85/97/570618597.db2.gz SCAROHYGCKTFTN-NRFANRHFSA-N 0 0 379.497 4.432 40 0 GIABRN COCCCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccccc1 ZINC000004161264 570619760 /nfs/dbraw/zinc/61/97/60/570619760.db2.gz AZOZZXGHNXCMJT-UHFFFAOYSA-N 0 0 396.516 4.021 40 0 GIABRN Cc1cccc(NC(=O)CCc2nc(-c3ccc(Br)cc3)no2)c1 ZINC000225818364 570621043 /nfs/dbraw/zinc/62/10/43/570621043.db2.gz JQWSMSJXXKDKGH-UHFFFAOYSA-N 0 0 386.249 4.379 40 0 GIABRN COc1ccc(NC(=S)NCc2nc(-c3ccccc3C)no2)cc1Cl ZINC000225828645 570622538 /nfs/dbraw/zinc/62/25/38/570622538.db2.gz FDXFPGRYRRIJLC-UHFFFAOYSA-N 0 0 388.880 4.194 40 0 GIABRN Cc1cc(C(=O)N[C@@H](c2ccnn2C)c2ccccc2)c2cccc(Cl)c2n1 ZINC000012194180 570622534 /nfs/dbraw/zinc/62/25/34/570622534.db2.gz RUQHTBRWRHLRAJ-HXUWFJFHSA-N 0 0 390.874 4.450 40 0 GIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000225828377 570622679 /nfs/dbraw/zinc/62/26/79/570622679.db2.gz JFVNYMRFINRZRG-KRWDZBQOSA-N 0 0 383.473 4.318 40 0 GIABRN O=C(CCc1nc(-c2cccnc2)no1)Nc1ccccc1Oc1ccccc1 ZINC000225835221 570623785 /nfs/dbraw/zinc/62/37/85/570623785.db2.gz YMKSLNPHRKJJMI-UHFFFAOYSA-N 0 0 386.411 4.495 40 0 GIABRN Cc1cccc2cc(C(=O)NCc3nc(-c4ccccc4Cl)no3)c(C)nc12 ZINC000012201324 570624318 /nfs/dbraw/zinc/62/43/18/570624318.db2.gz QNEVNMCEHXYVSM-UHFFFAOYSA-N 0 0 392.846 4.485 40 0 GIABRN CCCO[C@@]1(C(=O)Nc2ccc(OC)c(C(=O)OCC)c2)CCC[C@H](C)C1 ZINC000225853839 570626805 /nfs/dbraw/zinc/62/68/05/570626805.db2.gz GAKAKFWPUDKLNO-BTYIYWSLSA-N 0 0 377.481 4.186 40 0 GIABRN Fc1ccccc1CN(CCCn1ccnc1)Cc1ccnn1[C@@H]1CCCCO1 ZINC000043277857 570627047 /nfs/dbraw/zinc/62/70/47/570627047.db2.gz DFLIPMUAYAIEJH-QFIPXVFZSA-N 0 0 397.498 4.010 40 0 GIABRN CC(C)[C@H]1c2cccn2CCN1C(=O)CCCc1nc(-c2ccccc2)no1 ZINC000012220112 570627608 /nfs/dbraw/zinc/62/76/08/570627608.db2.gz CODMZGATVDEHDP-NRFANRHFSA-N 0 0 378.476 4.100 40 0 GIABRN CC(C)C(=O)N1CCC[C@@H](c2cc(C(F)(F)F)n3nc(C(C)(C)C)cc3n2)C1 ZINC000012220016 570627654 /nfs/dbraw/zinc/62/76/54/570627654.db2.gz KIKKWPHQUKBFOH-CYBMUJFWSA-N 0 0 396.457 4.408 40 0 GIABRN Cc1ncc(CN2[C@@H]3CC[C@H]2c2cnc4cc(-c5cccc(C)c5)nn4c2C3)n1C ZINC000012221588 570627977 /nfs/dbraw/zinc/62/79/77/570627977.db2.gz WKMGNORSHHVILW-GCJKJVERSA-N 0 0 398.514 4.008 40 0 GIABRN Cc1ncccc1-c1cc2cccnc2n1CCC(=O)N1CCC[C@@H](C)[C@H]1C ZINC000012222787 570628381 /nfs/dbraw/zinc/62/83/81/570628381.db2.gz PMBVCMHNEJEQGD-SJLPKXTDSA-N 0 0 376.504 4.444 40 0 GIABRN CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC000012238569 570629391 /nfs/dbraw/zinc/62/93/91/570629391.db2.gz ZRBWUYJJPAJTDI-LJQANCHMSA-N 0 0 390.462 4.050 40 0 GIABRN CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2C)cc1NC(C)=O ZINC000225882649 570629961 /nfs/dbraw/zinc/62/99/61/570629961.db2.gz PBIIXJSVHKLGJK-CQSZACIVSA-N 0 0 392.546 4.023 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCCc2ccc(C(C)C)cc2)cc1C ZINC000225879466 570630032 /nfs/dbraw/zinc/63/00/32/570630032.db2.gz VPDJDRLXNYGNBL-UHFFFAOYSA-N 0 0 375.534 4.347 40 0 GIABRN CCOCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cn1 ZINC000225895862 570631765 /nfs/dbraw/zinc/63/17/65/570631765.db2.gz LGRRPRYIOSXFDT-UHFFFAOYSA-N 0 0 380.529 4.303 40 0 GIABRN Cc1ccccc1C1(O)CCN(C(=O)c2ccnc3ccc(Cl)cc32)CC1 ZINC000012290317 570632915 /nfs/dbraw/zinc/63/29/15/570632915.db2.gz MIICPDHGVKJMDR-UHFFFAOYSA-N 0 0 380.875 4.320 40 0 GIABRN COc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCC(C)CC2)c(OC)c1 ZINC000004847704 570634484 /nfs/dbraw/zinc/63/44/84/570634484.db2.gz IMFWUPWWNZWCSN-OAQYLSRUSA-N 0 0 399.539 4.017 40 0 GIABRN CCOC(=O)COc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)cc1 ZINC000225943202 570635084 /nfs/dbraw/zinc/63/50/84/570635084.db2.gz KWMLLKMWIAQRIG-UHFFFAOYSA-N 0 0 389.879 4.489 40 0 GIABRN COc1ccc(S[C@@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000044846153 570635338 /nfs/dbraw/zinc/63/53/38/570635338.db2.gz ULABDHWMTSVOIC-SFHVURJKSA-N 0 0 384.545 4.141 40 0 GIABRN Cc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NCCCc2ccccc2)n1 ZINC000225966291 570637343 /nfs/dbraw/zinc/63/73/43/570637343.db2.gz LWNNBGOXODMHCY-KRWDZBQOSA-N 0 0 383.565 4.083 40 0 GIABRN O=C(Nc1ccc(Cl)cc1)/C(=C\c1ccncc1)NC(=O)c1ccccc1 ZINC000004854906 570638311 /nfs/dbraw/zinc/63/83/11/570638311.db2.gz PHCLQHQEKPEQRY-XMHGGMMESA-N 0 0 377.831 4.145 40 0 GIABRN O=C(NCCc1ccccc1)[C@@H](OC(=O)c1cccs1)c1ccccc1F ZINC000004901885 570639739 /nfs/dbraw/zinc/63/97/39/570639739.db2.gz UKBSJEZADWGSEY-IBGZPJMESA-N 0 0 383.444 4.144 40 0 GIABRN O=C(NC1CCN(C(=S)Nc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000004888643 570643290 /nfs/dbraw/zinc/64/32/90/570643290.db2.gz VEFZYBJQQILIAW-UHFFFAOYSA-N 0 0 391.899 4.070 40 0 GIABRN O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1cccs1 ZINC000032642736 570643980 /nfs/dbraw/zinc/64/39/80/570643980.db2.gz DYIRDSBAQUTBSP-UHFFFAOYSA-N 0 0 393.493 4.361 40 0 GIABRN Cc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 ZINC000032752171 570644586 /nfs/dbraw/zinc/64/45/86/570644586.db2.gz UQOFGZPFSFGMDL-SFQUDFHCSA-N 0 0 376.416 4.049 40 0 GIABRN CCC(=O)n1nc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1CC ZINC000004953183 570646610 /nfs/dbraw/zinc/64/66/10/570646610.db2.gz FLQVYTLNNGGAHC-UHFFFAOYSA-N 0 0 394.500 4.289 40 0 GIABRN Cc1ccc2[nH]c(-c3cccnc3SCC(=O)N3CCC[C@@H](C)C3)nc2c1 ZINC000004903255 570646999 /nfs/dbraw/zinc/64/69/99/570646999.db2.gz DZRFLCKIBBZLPA-OAHLLOKOSA-N 0 0 380.517 4.284 40 0 GIABRN CCN(CC)C(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1 ZINC000059047269 570649220 /nfs/dbraw/zinc/64/92/20/570649220.db2.gz RSAUDUDJFZAHSG-UHFFFAOYSA-N 0 0 394.544 4.013 40 0 GIABRN COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1ccc(OC)cc1 ZINC000004931421 570649609 /nfs/dbraw/zinc/64/96/09/570649609.db2.gz XZCYREWRWHKSEF-UHFFFAOYSA-N 0 0 378.403 4.415 40 0 aggregator GIABRN CC(C)OC(=O)Cn1c(C(=O)OC(C)C)cc2c1ccn2-c1ccc(F)cc1 ZINC000004932191 570649658 /nfs/dbraw/zinc/64/96/58/570649658.db2.gz CQPCINSIGAHYAG-UHFFFAOYSA-N 0 0 386.423 4.088 40 0 GIABRN COc1cc([C@@H]2NC(=O)c3ccccc3O2)ccc1OCc1ccccc1F ZINC000004997905 570650611 /nfs/dbraw/zinc/65/06/11/570650611.db2.gz ZQWXNAOGGCXHPT-JOCHJYFZSA-N 0 0 379.387 4.234 40 0 GIABRN O=C(CSc1nnc(CNc2ccc(F)cc2)o1)Nc1ccccc1Cl ZINC000004996634 570650621 /nfs/dbraw/zinc/65/06/21/570650621.db2.gz YFOAAXMYPDZYGY-UHFFFAOYSA-N 0 0 392.843 4.205 40 0 GIABRN COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c(OC)c1 ZINC000059294185 570653450 /nfs/dbraw/zinc/65/34/50/570653450.db2.gz JDMLZFZCTQULQX-UHFFFAOYSA-N 0 0 376.412 4.208 40 0 GIABRN COc1cccc(OC)c1C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000059341433 570655070 /nfs/dbraw/zinc/65/50/70/570655070.db2.gz URICSUDLCALZMS-UHFFFAOYSA-N 0 0 382.460 4.019 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(OC)c(OC)cc3OC)N21 ZINC000260762854 570703823 /nfs/dbraw/zinc/70/38/23/570703823.db2.gz HSLHXOZSUAVIEN-CWVNLOTRSA-N 0 0 399.516 4.087 40 0 GIABRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)n1-c1cccnc1 ZINC000260762731 570703881 /nfs/dbraw/zinc/70/38/81/570703881.db2.gz HFRFIJNDMMCRIB-CDHQVMDDSA-N 0 0 375.501 4.165 40 0 GIABRN CCOc1cc2c(cc1CN(Cc1ccccc1)Cc1ccncc1)OCO2 ZINC000057797073 570703964 /nfs/dbraw/zinc/70/39/64/570703964.db2.gz NTOKPWYFVDXWEP-UHFFFAOYSA-N 0 0 376.456 4.411 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3C[C@H]3CCCO3)N21 ZINC000260788403 570705596 /nfs/dbraw/zinc/70/55/96/570705596.db2.gz ZTTHKDXAEIIQQI-SMOSDQRPSA-N 0 0 382.533 4.042 40 0 GIABRN O=C1[C@H]2[C@@H](C(=O)N1c1ccccn1)[C@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000101115280 570714170 /nfs/dbraw/zinc/71/41/70/570714170.db2.gz VFVLWHDKTBYUNI-RVNSJZFSSA-N 0 0 380.447 4.325 40 0 GIABRN O=C(c1ccccc1)N(CN1C(=O)c2ccccc2C1=O)c1ccccc1Cl ZINC000001511012 570715452 /nfs/dbraw/zinc/71/54/52/570715452.db2.gz OALFFSBBPGIPMV-UHFFFAOYSA-N 0 0 390.826 4.241 40 0 GIABRN Cc1ccccc1[C@H]1c2c(O)n(-c3ccccc3)c(O)c2ON1c1ccccc1 ZINC000102738040 570720646 /nfs/dbraw/zinc/72/06/46/570720646.db2.gz JEELBLXZKKKFJU-BHIFYINESA-N 0 0 384.435 4.046 40 0 GIABRN CCc1cccc(C)c1NS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000003581287 570725552 /nfs/dbraw/zinc/72/55/52/570725552.db2.gz KJXOAVNSLFDSGG-UHFFFAOYSA-N 0 0 384.295 4.129 40 0 GIABRN O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccc(Br)o1 ZINC000005172773 570731184 /nfs/dbraw/zinc/73/11/84/570731184.db2.gz UIFOBLYANSNQTF-XFFZJAGNSA-N 0 0 397.022 4.149 40 0 GIABRN O=C(Nc1ccccc1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000005184722 570731585 /nfs/dbraw/zinc/73/15/85/570731585.db2.gz FBKBNUFAQHQZSX-UHFFFAOYSA-N 0 0 386.860 4.393 40 0 GIABRN Cc1cc(C)c(OCC(=O)OCC(=O)c2ccc(Br)cc2)c(C)c1 ZINC000005534678 570733587 /nfs/dbraw/zinc/73/35/87/570733587.db2.gz BVAAMVXBEUGNER-UHFFFAOYSA-N 0 0 391.261 4.179 40 0 GIABRN O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O)N1CCCCC1 ZINC000005749444 570734944 /nfs/dbraw/zinc/73/49/44/570734944.db2.gz LGEUYPKNJRZHOQ-ZSOIEALJSA-N 0 0 399.299 4.042 40 0 GIABRN CCCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000006023944 570737137 /nfs/dbraw/zinc/73/71/37/570737137.db2.gz UVJQNUNHGXVAEI-UHFFFAOYSA-N 0 0 388.533 4.333 40 0 GIABRN CN(C)c1ccc(C2=NNC(c3cccnc3)=Nc3ccc(Cl)cc32)cc1 ZINC000006135806 570738063 /nfs/dbraw/zinc/73/80/63/570738063.db2.gz KCKHCWJOSCJNMP-UHFFFAOYSA-N 0 0 375.863 4.235 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1C ZINC000006270300 570740385 /nfs/dbraw/zinc/74/03/85/570740385.db2.gz YBJHSKBIMZBCOA-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN COc1cc(NC(=O)COc2ccc(C(C)C)cc2)ccc1NC(=O)C(C)C ZINC000006359051 570741138 /nfs/dbraw/zinc/74/11/38/570741138.db2.gz VYMKJRHLEHLISP-UHFFFAOYSA-N 0 0 384.476 4.431 40 0 GIABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(-c2nn3cnnc3s2)c1 ZINC000006505810 570746677 /nfs/dbraw/zinc/74/66/77/570746677.db2.gz OYVWSKZYXZHKOC-RMKNXTFCSA-N 0 0 381.848 4.158 40 0 GIABRN CCCOc1ccc(C(=O)Nc2ccc(I)c(C)n2)cc1 ZINC000006629691 570748132 /nfs/dbraw/zinc/74/81/32/570748132.db2.gz RQWULMGGJBDIHD-UHFFFAOYSA-N 0 0 396.228 4.036 40 0 GIABRN CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)OCC)C1=O ZINC000006942519 570750900 /nfs/dbraw/zinc/75/09/00/570750900.db2.gz JBDRKJIKOGVQDN-PDGQHHTCSA-N 0 0 399.468 4.228 40 0 GIABRN NC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1CCC2 ZINC000006861789 570752256 /nfs/dbraw/zinc/75/22/56/570752256.db2.gz GMODQMUPNUTKSA-FNORWQNLSA-N 0 0 381.284 4.294 40 0 GIABRN CC[C@](Br)(C(=O)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC ZINC000096518707 570754772 /nfs/dbraw/zinc/75/47/72/570754772.db2.gz UFHOKHDRFQFUNG-GOSISDBHSA-N 0 0 395.318 4.472 40 0 GIABRN CCCn1nnnc1NCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000007263350 570757368 /nfs/dbraw/zinc/75/73/68/570757368.db2.gz DOKQNLMZTPFYGH-UHFFFAOYSA-N 0 0 375.835 4.067 40 0 GIABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)C(F)(F)F)cc3n2)cc1 ZINC000007387557 570758508 /nfs/dbraw/zinc/75/85/08/570758508.db2.gz GZEGNIUYEIXOLM-UHFFFAOYSA-N 0 0 391.397 4.076 40 0 GIABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000166024234 570761055 /nfs/dbraw/zinc/76/10/55/570761055.db2.gz BSVAZRSCDNGMCN-QHCPKHFHSA-N 0 0 394.559 4.486 40 0 GIABRN O=C(Nc1ccccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000007639758 570761956 /nfs/dbraw/zinc/76/19/56/570761956.db2.gz KLCYWLDNULQKMG-UHFFFAOYSA-N 0 0 377.271 4.484 40 0 GIABRN CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Br)cc2)CC1=O ZINC000007881950 570762821 /nfs/dbraw/zinc/76/28/21/570762821.db2.gz DWFDBLBWEYCSNE-AWEZNQCLSA-N 0 0 387.277 4.003 40 0 GIABRN O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCCc1ccc(F)cc1 ZINC000013613323 570762873 /nfs/dbraw/zinc/76/28/73/570762873.db2.gz LPDRJXUDJDGNRG-UHFFFAOYSA-N 0 0 376.280 4.185 40 0 GIABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000007928289 570763204 /nfs/dbraw/zinc/76/32/04/570763204.db2.gz GBSYLYUQSARWTM-LLVKDONJSA-N 0 0 382.769 4.350 40 0 GIABRN O=C(Oc1ccc(Br)cc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000007929411 570763301 /nfs/dbraw/zinc/76/33/01/570763301.db2.gz CFBYTIQNMVGNNI-LLVKDONJSA-N 0 0 394.652 4.061 40 0 GIABRN Cc1[nH]c2nn(-c3ccc(F)cc3)c(=O)c-2c(O)c1Cc1ccc(C(C)C)cc1 ZINC000008021089 570764977 /nfs/dbraw/zinc/76/49/77/570764977.db2.gz IYWWFNVBCRUIAS-UHFFFAOYSA-N 0 0 391.446 4.169 40 0 GIABRN CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1cccc(C)c1 ZINC000008113820 570766754 /nfs/dbraw/zinc/76/67/54/570766754.db2.gz AMUNEYAHZXRDCG-UHFFFAOYSA-N 0 0 384.480 4.452 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1C ZINC000008291562 570766841 /nfs/dbraw/zinc/76/68/41/570766841.db2.gz YRZSCJMDWHLBGK-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN COc1ccccc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2C)o1 ZINC000008319965 570767630 /nfs/dbraw/zinc/76/76/30/570767630.db2.gz VELAOKXIHXKESO-UHFFFAOYSA-N 0 0 389.864 4.438 40 0 GIABRN CCOc1ccc(Cl)cc1CNn1c(=S)[nH]nc1-c1ccccc1OC ZINC000008324604 570767635 /nfs/dbraw/zinc/76/76/35/570767635.db2.gz JODOAPUWNCTWSG-UHFFFAOYSA-N 0 0 390.896 4.412 40 0 GIABRN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21SCC(=O)N1c1ccccc1 ZINC000008559995 570771291 /nfs/dbraw/zinc/77/12/91/570771291.db2.gz NJFWECQKFYTUJR-QHCPKHFHSA-N 0 0 390.508 4.470 40 0 GIABRN Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000010112021 570781783 /nfs/dbraw/zinc/78/17/83/570781783.db2.gz TXRIAYNYBKQAPN-HNNXBMFYSA-N 0 0 388.533 4.155 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(C(C)C)C(C)C)c2)cc1 ZINC000010314201 570787262 /nfs/dbraw/zinc/78/72/62/570787262.db2.gz JSNCPNDUKLFMHO-UHFFFAOYSA-N 0 0 388.533 4.206 40 0 GIABRN CC(=O)Nc1cccc(NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)c1 ZINC000170580188 570788342 /nfs/dbraw/zinc/78/83/42/570788342.db2.gz NCLGUVZBTGQCOR-UHFFFAOYSA-N 0 0 375.432 4.048 40 0 GIABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1Br ZINC000010684137 570792407 /nfs/dbraw/zinc/79/24/07/570792407.db2.gz PNVKYJTUQLUGFI-LBPRGKRZSA-N 0 0 375.266 4.230 40 0 GIABRN Cc1ccccc1NC(=S)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000010846525 570792816 /nfs/dbraw/zinc/79/28/16/570792816.db2.gz SHVVSOBAJSLJOF-UHFFFAOYSA-N 0 0 396.512 4.058 40 0 GIABRN CC(C)c1ccc([C@H]2[C@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)cc1 ZINC000011694849 570798161 /nfs/dbraw/zinc/79/81/61/570798161.db2.gz FEPAYXGJEZOWOQ-YSGRDPCXSA-N 0 0 375.476 4.060 40 0 GIABRN COc1ccc(NC(=O)N2CCC[C@H](C(=O)Nc3cccc(C)c3C)C2)cc1 ZINC000012471721 570807116 /nfs/dbraw/zinc/80/71/16/570807116.db2.gz PBQQNLXRDFRXTK-KRWDZBQOSA-N 0 0 381.476 4.195 40 0 GIABRN Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000012891457 570816213 /nfs/dbraw/zinc/81/62/13/570816213.db2.gz IXFFTBVAEBITSL-IQMFZBJNSA-N 0 0 383.488 4.167 40 0 GIABRN COc1cc(C)c(NCc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1C(C)C ZINC000013561338 570851664 /nfs/dbraw/zinc/85/16/64/570851664.db2.gz TWBDESBHTBHWTG-UHFFFAOYSA-N 0 0 380.444 4.309 40 0 GIABRN C[C@@H]1C[C@H](C)CN(C(=O)C2(NC(=O)Nc3ccc(F)cc3F)CCCCC2)C1 ZINC000013563206 570852115 /nfs/dbraw/zinc/85/21/15/570852115.db2.gz BPXSPJWBFHJQIQ-GASCZTMLSA-N 0 0 393.478 4.294 40 0 GIABRN CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccccc1 ZINC000013879570 570864955 /nfs/dbraw/zinc/86/49/55/570864955.db2.gz MIEARZMSVVWYEB-UHFFFAOYSA-N 0 0 396.516 4.225 40 0 GIABRN Cc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2c1CCCC2 ZINC000014152330 570877739 /nfs/dbraw/zinc/87/77/39/570877739.db2.gz QPHSIEKNICZBQU-UHFFFAOYSA-N 0 0 381.423 4.413 40 0 GIABRN Cc1nc(Nc2nc(C)c(CCC(C)C)c(=O)[nH]2)nc2cc3c(cc12)CCC3 ZINC000014165333 570879294 /nfs/dbraw/zinc/87/92/94/570879294.db2.gz AJESBEYIKSVVDV-UHFFFAOYSA-N 0 0 377.492 4.151 40 0 GIABRN CCOCCCNc1ncc(-c2ccc3c(c2)OCO3)c(-c2cccs2)n1 ZINC000072340387 570880319 /nfs/dbraw/zinc/88/03/19/570880319.db2.gz WOZGCEFRTYKDBF-UHFFFAOYSA-N 0 0 383.473 4.439 40 0 GIABRN CC(C)CC(=O)N[C@@H](c1nccs1)[C@H]1CC[C@H](CNC(=O)C(C)(C)C)CC1 ZINC000257212120 570889076 /nfs/dbraw/zinc/88/90/76/570889076.db2.gz CCAMIKQEOJMPQN-JFIYKMOQSA-N 0 0 393.597 4.315 40 0 GIABRN CCOC(=O)Nc1ccccc1C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000014405218 570891195 /nfs/dbraw/zinc/89/11/95/570891195.db2.gz PLKNFLHSHCJXKO-UHFFFAOYSA-N 0 0 378.432 4.310 40 0 GIABRN COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)cc1OC ZINC000136691073 570903129 /nfs/dbraw/zinc/90/31/29/570903129.db2.gz SNUBHAJWZFBQHA-GSAAVPCESA-N 0 0 375.515 4.106 40 0 GIABRN Cc1ccc2nc(-c3ccc(-n4c(=O)c5ccccc5[nH]c4=NN)cc3)sc2c1 ZINC000015424551 570906256 /nfs/dbraw/zinc/90/62/56/570906256.db2.gz XAEXAQLONFBJSS-UHFFFAOYSA-N 0 0 399.479 4.256 40 0 GIABRN COc1cccc2cc(C(=O)Nc3ccc(Cc4ccncc4)cc3)c(=O)oc21 ZINC000015940593 570909337 /nfs/dbraw/zinc/90/93/37/570909337.db2.gz FVWIZXIZUGYTDM-UHFFFAOYSA-N 0 0 386.407 4.040 40 0 GIABRN C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000042646685 570914645 /nfs/dbraw/zinc/91/46/45/570914645.db2.gz OBFPPXLQWAEZJM-LLVKDONJSA-N 0 0 384.785 4.217 40 0 GIABRN CCCOc1cccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)c1 ZINC000017077790 570916873 /nfs/dbraw/zinc/91/68/73/570916873.db2.gz ZPRJYGYBHWJWCF-UHFFFAOYSA-N 0 0 380.469 4.461 40 0 GIABRN COc1ccc(C2=Nc3nc(SC)nn3[C@@H](c3ccccc3)C2)cc1OC ZINC000017077799 570916929 /nfs/dbraw/zinc/91/69/29/570916929.db2.gz XJQNFGXYJFUFCP-MRXNPFEDSA-N 0 0 380.473 4.073 40 0 GIABRN COc1ccc(Cl)cc1NC(=S)Nc1cc(OC)c(OC)c(OC)c1 ZINC000017078214 570917379 /nfs/dbraw/zinc/91/73/79/570917379.db2.gz CBVLXXFORFNSKQ-UHFFFAOYSA-N 0 0 382.869 4.183 40 0 GIABRN COc1cc(-c2nc(N3CCCCC3)nc3c2C(=O)c2ccccc2-3)ccc1O ZINC000017079081 570917539 /nfs/dbraw/zinc/91/75/39/570917539.db2.gz AKZZNDQUBIWHNI-UHFFFAOYSA-N 0 0 387.439 4.060 40 0 GIABRN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1cccc(Cl)c1Cl ZINC000019983593 570933574 /nfs/dbraw/zinc/93/35/74/570933574.db2.gz MBNKIFWBLWZYSV-UHFFFAOYSA-N 0 0 385.634 4.011 40 0 GIABRN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(CN2CCCC2=O)cc1 ZINC000194472950 570943972 /nfs/dbraw/zinc/94/39/72/570943972.db2.gz BIFJQTXVUZYIGC-UHFFFAOYSA-N 0 0 385.467 4.047 40 0 GIABRN O=C(CSCc1ccccc1Br)Nc1ccc2c(c1)OCO2 ZINC000020238202 570945064 /nfs/dbraw/zinc/94/50/64/570945064.db2.gz ZTBAFOLGIMDEDC-UHFFFAOYSA-N 0 0 380.263 4.050 40 0 GIABRN CCOC(=O)c1cn(Cc2ccccc2F)c2ccc(C(F)(F)F)cc2c1=O ZINC000199728234 570951723 /nfs/dbraw/zinc/95/17/23/570951723.db2.gz NARWLQSTWMXNFB-UHFFFAOYSA-N 0 0 393.336 4.384 40 0 GIABRN CC1(C)CC(=O)C2=C(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)NN[C@@H]2C1 ZINC000228978179 570951962 /nfs/dbraw/zinc/95/19/62/570951962.db2.gz ICVQIIZUUFETOB-DGCLKSJQSA-N 0 0 378.316 4.405 40 0 GIABRN Cc1cncc(Cl)c1NC(=O)c1ccc(OC(F)F)c(OCC2CC2)c1 ZINC000390823131 570952156 /nfs/dbraw/zinc/95/21/56/570952156.db2.gz TXJGIGDUBPHZLX-UHFFFAOYSA-N 0 0 382.794 4.108 40 0 GIABRN CC1=C(C(=O)O[C@H]2CC[C@H](C)[C@@H](C)C2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 ZINC000004066381 570965974 /nfs/dbraw/zinc/96/59/74/570965974.db2.gz SHEGXKQQQJYNOU-GRCBOLBRSA-N 0 0 376.884 4.336 40 0 GIABRN O=C(c1cccs1)[C@H]1CN(Cc2ccccc2)CC[C@]1(O)c1cccs1 ZINC000012541281 570980026 /nfs/dbraw/zinc/98/00/26/570980026.db2.gz CSELUCAFPBCIKL-DYESRHJHSA-N 0 0 383.538 4.402 40 0 GIABRN CCc1cccc(C)c1NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000242801682 570985789 /nfs/dbraw/zinc/98/57/89/570985789.db2.gz FEINZCSMPPJZOH-UHFFFAOYSA-N 0 0 388.533 4.086 40 0 GIABRN Cc1c(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cnn1C ZINC000118916044 570993811 /nfs/dbraw/zinc/99/38/11/570993811.db2.gz FDNKFHFLLFZZSM-OAAFAEGBSA-N 0 0 398.591 4.486 40 0 GIABRN O=C([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000585183190 571000168 /nfs/dbraw/zinc/00/01/68/571000168.db2.gz JLZCURIQUTZCAH-GOSISDBHSA-N 0 0 394.446 4.482 40 0 GIABRN Cc1cc(Br)c(C)c(Br)c1I ZINC000065356398 571000222 /nfs/dbraw/zinc/00/02/22/571000222.db2.gz ZQCBESBZVYLPME-UHFFFAOYSA-N 0 0 389.856 4.433 40 0 GIABRN Cc1nc2c(C)cccn2c1C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000019716778 571038631 /nfs/dbraw/zinc/03/86/31/571038631.db2.gz AGUPFNKTUOLNNB-GOSISDBHSA-N 0 0 391.471 4.090 40 0 GIABRN Cc1cccc(Cl)c1Nc1cc(-c2ccccn2)nc(NC2CCCC2)n1 ZINC000328955917 571046790 /nfs/dbraw/zinc/04/67/90/571046790.db2.gz ADXPUPVEGAIZJC-UHFFFAOYSA-N 0 0 379.895 4.442 40 0 GIABRN Cc1ccc(N2C[C@@H](C(=O)OCc3c(Cl)cccc3Cl)CC2=O)cc1 ZINC000016292896 571049401 /nfs/dbraw/zinc/04/94/01/571049401.db2.gz KOXBFGPFSBVSHF-ZDUSSCGKSA-N 0 0 378.255 4.398 40 0 GIABRN COc1ccccc1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 ZINC000005612332 817599657 /nfs/dbraw/zinc/59/96/57/817599657.db2.gz JJEZWSGSLXRFHR-UHFFFAOYSA-N 0 0 375.424 4.009 40 0 GIABRN C=CCOc1cccc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)c1 ZINC000006022282 817640553 /nfs/dbraw/zinc/64/05/53/817640553.db2.gz MHHAXMKPNCYLHQ-CPNJWEJPSA-N 0 0 379.437 4.171 40 0 GIABRN COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccc(F)cc1 ZINC000006348256 817680978 /nfs/dbraw/zinc/68/09/78/817680978.db2.gz BPCJPDUYJRCYGV-WQRHYEAKSA-N 0 0 383.444 4.425 40 0 GIABRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)COc2ccc(C)cc2)c1 ZINC000006386492 817686824 /nfs/dbraw/zinc/68/68/24/817686824.db2.gz UBMIFQLLNJSWCJ-UHFFFAOYSA-N 0 0 399.516 4.016 40 0 GIABRN CCn1c(COc2ccccc2C)nnc1SCC(=O)c1ccc(OC)cc1 ZINC000006451418 817692457 /nfs/dbraw/zinc/69/24/57/817692457.db2.gz SPDAYGRKLUIHOA-UHFFFAOYSA-N 0 0 397.500 4.169 40 0 GIABRN CCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O ZINC000006629498 817712739 /nfs/dbraw/zinc/71/27/39/817712739.db2.gz DEHQUVQVOQEOQA-BOPFTXTBSA-N 0 0 385.445 4.449 40 0 GIABRN CCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C1=O ZINC000006629542 817712773 /nfs/dbraw/zinc/71/27/73/817712773.db2.gz SXPYJQPRGNMOAP-LICLKQGHSA-N 0 0 385.445 4.449 40 0 GIABRN CCCOC(=O)c1cc(NC(=O)CSc2nc(C)cc(C)n2)ccc1Cl ZINC000006779003 817717526 /nfs/dbraw/zinc/71/75/26/817717526.db2.gz VIFJUENPHHIMTM-UHFFFAOYSA-N 0 0 393.896 4.044 40 0 GIABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cc(OCC)c(OC)cc1C ZINC000006844664 817719360 /nfs/dbraw/zinc/71/93/60/817719360.db2.gz PELAPMCFJUUGBZ-GOSISDBHSA-N 0 0 388.489 4.170 40 0 GIABRN CN1C(=O)S/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C1=O ZINC000006949603 817728616 /nfs/dbraw/zinc/72/86/16/817728616.db2.gz SUTUOTYQISDIQB-UYRXBGFRSA-N 0 0 378.453 4.386 40 0 GIABRN CCN1C(=O)/C(=C\c2ccc3c(c2)OCCO3)S/C1=N/c1ccc(OC)cc1 ZINC000006954454 817729080 /nfs/dbraw/zinc/72/90/80/817729080.db2.gz PGZCQWYLBVDJAC-HNPUNDFXSA-N 0 0 396.468 4.090 40 0 GIABRN O=C(COc1ccccc1)Nc1cc(Br)ccc1Br ZINC000007610213 817879189 /nfs/dbraw/zinc/87/91/89/817879189.db2.gz MUYBFXIMLLBKAC-UHFFFAOYSA-N 0 0 385.055 4.229 40 0 GIABRN Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1C ZINC000007881469 817949593 /nfs/dbraw/zinc/94/95/93/817949593.db2.gz QFRCVFNXEMRGBE-QGZVFWFLSA-N 0 0 399.874 4.044 40 0 GIABRN COc1ccc(-c2nnc(SC(=O)Cc3ccc(Cl)cc3)o2)c(OC)c1 ZINC000007939518 817965218 /nfs/dbraw/zinc/96/52/18/817965218.db2.gz OPSFRGFHCULPCY-UHFFFAOYSA-N 0 0 390.848 4.269 40 0 GIABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccccc1OC ZINC000008050448 817989325 /nfs/dbraw/zinc/98/93/25/817989325.db2.gz CKRHZDFAANHEAC-YJBOKZPZSA-N 0 0 384.476 4.020 40 0 GIABRN CCc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000008086760 817997212 /nfs/dbraw/zinc/99/72/12/817997212.db2.gz FIFBPJNIXSDKLI-UHFFFAOYSA-N 0 0 394.496 4.326 40 0 GIABRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccs3)C2=O)c1 ZINC000008169640 818010786 /nfs/dbraw/zinc/01/07/86/818010786.db2.gz JVHWZNDLPXPJBM-NTEUORMPSA-N 0 0 390.511 4.145 40 0 GIABRN CC(=O)Nc1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1 ZINC000019169719 818586479 /nfs/dbraw/zinc/58/64/79/818586479.db2.gz CCTBTKCFLDRGBG-UHFFFAOYSA-N 0 0 388.514 4.141 40 0 GIABRN COc1cccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3snnc3C)c2)c1 ZINC000019690645 818598909 /nfs/dbraw/zinc/59/89/09/818598909.db2.gz XTYZVLYFGLTOOW-LJQANCHMSA-N 0 0 394.500 4.203 40 0 GIABRN CC(=O)N1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCCN2C(=O)c1ccccc1 ZINC000019712947 818603308 /nfs/dbraw/zinc/60/33/08/818603308.db2.gz SBTDAROTLMUYHU-SMIHKQSGSA-N 0 0 390.527 4.304 40 0 GIABRN O=C(CSc1noc(-c2ccccc2)n1)Nc1ccc(OC(F)F)cc1 ZINC000028527440 820343654 /nfs/dbraw/zinc/34/36/54/820343654.db2.gz CXGPJWQSWDRPGB-UHFFFAOYSA-N 0 0 377.372 4.069 40 0 GIABRN COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccccc2)c1 ZINC000028527966 820343724 /nfs/dbraw/zinc/34/37/24/820343724.db2.gz NXLRNZNQMDKVAO-UHFFFAOYSA-N 0 0 391.475 4.252 40 0 GIABRN COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc(Cl)cc1 ZINC000019570954 210267772 /nfs/dbraw/zinc/26/77/72/210267772.db2.gz MAFFYYHJBYRVSF-LJQANCHMSA-N 0 0 395.890 4.401 40 0 GIABRN Cc1ccc(CN(C)C(=O)COc2cc(C)c(Br)c(C)c2)cc1 ZINC000216418033 222576080 /nfs/dbraw/zinc/57/60/80/222576080.db2.gz KUEQLOOWTCVGOO-UHFFFAOYSA-N 0 0 376.294 4.412 40 0 GIABRN COc1cccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2Cl)c1 ZINC000019564795 210266678 /nfs/dbraw/zinc/26/66/78/210266678.db2.gz USUMYUNKPODOBV-HXUWFJFHSA-N 0 0 395.890 4.401 40 0 GIABRN CCCCc1ccc(NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000220134485 222599047 /nfs/dbraw/zinc/59/90/47/222599047.db2.gz KMBBJLSDWPVPJM-KRWDZBQOSA-N 0 0 388.533 4.131 40 0 GIABRN CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)CC(C)C)C1 ZINC000019528874 210259941 /nfs/dbraw/zinc/25/99/41/210259941.db2.gz ZZORSZGHRSUFNW-HSZRJFAPSA-N 0 0 398.572 4.359 40 0 GIABRN CCOc1ccc(CCC(=O)N2CCC(c3cc4ncc(C)nc4[nH]3)CC2)cc1 ZINC000019533090 210258529 /nfs/dbraw/zinc/25/85/29/210258529.db2.gz UNOBSBPGNQEBOZ-UHFFFAOYSA-N 0 0 392.503 4.004 40 0 GIABRN CCc1cc(C(=O)N2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)on1 ZINC000019522729 210257215 /nfs/dbraw/zinc/25/72/15/210257215.db2.gz XOUJKTHXYWQJAQ-NSHDSACASA-N 0 0 390.390 4.039 40 0 GIABRN CCCn1ncc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)c1C ZINC000019525854 210256400 /nfs/dbraw/zinc/25/64/00/210256400.db2.gz OYJWEDWTTRJQGV-UHFFFAOYSA-N 0 0 383.492 4.305 40 0 GIABRN CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3Cc3cccnc3)cc2n1 ZINC000019522347 210256145 /nfs/dbraw/zinc/25/61/45/210256145.db2.gz WKKXPODBWSQTHE-INIZCTEOSA-N 0 0 375.398 4.043 40 0 GIABRN CCC(CC)C(=O)N1CC[C@](Cc2ccccc2-c2ccccc2F)(C(N)=O)C1 ZINC000019500062 210255532 /nfs/dbraw/zinc/25/55/32/210255532.db2.gz CPMOSAKEPHLDHI-XMMPIXPASA-N 0 0 396.506 4.175 40 0 GIABRN CCCC(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)CC1 ZINC000019501138 210255564 /nfs/dbraw/zinc/25/55/64/210255564.db2.gz FLAUJJOLMSXMPF-LSDHHAIUSA-N 0 0 382.499 4.210 40 0 GIABRN CCCC(=O)N1CCC[C@](Cc2cccc(-c3cccs3)c2)(C(=O)NC)C1 ZINC000019501221 210255251 /nfs/dbraw/zinc/25/52/51/210255251.db2.gz DZWBOFYVVFNQEY-JOCHJYFZSA-N 0 0 384.545 4.113 40 0 GIABRN CC[C@H](C(=O)N1CCC(c2nnsc2-c2cc(C)no2)CC1)c1ccccc1 ZINC000019500532 210254976 /nfs/dbraw/zinc/25/49/76/210254976.db2.gz YMPOUNHUJWCPNP-KRWDZBQOSA-N 0 0 396.516 4.401 40 0 GIABRN CCOc1ccc2nc3c(cc2c1)CN(CCc1ccc(OC)cc1)C(=O)O3 ZINC000019519970 210254575 /nfs/dbraw/zinc/25/45/75/210254575.db2.gz RLNKWVUPNXXHAQ-UHFFFAOYSA-N 0 0 378.428 4.199 40 0 GIABRN CCC(CC)C(=O)N1CCC[C@](Cc2ccccc2-c2cccs2)(C(N)=O)C1 ZINC000019500137 210254587 /nfs/dbraw/zinc/25/45/87/210254587.db2.gz BEXQFVVWJTWTKB-HSZRJFAPSA-N 0 0 398.572 4.488 40 0 GIABRN CCCC(=O)N1CCC[C@](Cc2ccccc2-c2ccc(C)cc2)(C(N)=O)C1 ZINC000019501235 210254311 /nfs/dbraw/zinc/25/43/11/210254311.db2.gz RZFOHTYNVVHVHW-XMMPIXPASA-N 0 0 378.516 4.099 40 0 GIABRN CCCC(=O)N1CCC[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 ZINC000019501200 210254403 /nfs/dbraw/zinc/25/44/03/210254403.db2.gz SXTSGALBCQVLLO-QHCPKHFHSA-N 0 0 398.572 4.455 40 0 GIABRN CCC(CC)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1cc(N(C)C)nc(C)n1 ZINC000019500245 210254416 /nfs/dbraw/zinc/25/44/16/210254416.db2.gz MQDVCIUQHQRMDQ-HXUWFJFHSA-N 0 0 393.535 4.169 40 0 GIABRN CCc1nn(C)c(C(=O)N[C@@H](Cc2ccsc2)c2nc(C)c(C)s2)c1C ZINC000019521049 210254068 /nfs/dbraw/zinc/25/40/68/210254068.db2.gz PZECVRYEFSCJRO-INIZCTEOSA-N 0 0 388.562 4.140 40 0 GIABRN C[C@H]1Cc2cc(CC(=O)N3CCC[C@@H](COc4ccc(F)cc4)C3)ccc2O1 ZINC000019498074 210253584 /nfs/dbraw/zinc/25/35/84/210253584.db2.gz LGXCMEYFMBHVIO-FUHWJXTLSA-N 0 0 383.463 4.009 40 0 GIABRN COCCCN(Cc1ccc2c(c1)C[C@@H](C)O2)C(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000019498164 210253294 /nfs/dbraw/zinc/25/32/94/210253294.db2.gz SWECQDXMSSQVGG-IAGOWNOFSA-N 0 0 395.499 4.012 40 0 GIABRN CCC(=O)N1CC[C@@](Cc2ccccc2-c2cccc(C)c2)(C(=O)NC(C)C)C1 ZINC000019498454 210252961 /nfs/dbraw/zinc/25/29/61/210252961.db2.gz RVWGSGHBXCMTNY-VWLOTQADSA-N 0 0 392.543 4.358 40 0 GIABRN CCC(=O)N1CC[C@@](Cc2cccc(-c3ccc(C)cc3)c2)(C(=O)NC(C)C)C1 ZINC000019498430 210252668 /nfs/dbraw/zinc/25/26/68/210252668.db2.gz JBORSHNJXXNICL-VWLOTQADSA-N 0 0 392.543 4.358 40 0 GIABRN CCNC(=O)[C@@]1(Cc2ccccc2-c2ccc(C)cc2)CCCN(C(=O)CC)C1 ZINC000019498657 210252719 /nfs/dbraw/zinc/25/27/19/210252719.db2.gz KWXCSVFLUAJXFJ-RUZDIDTESA-N 0 0 392.543 4.359 40 0 GIABRN C[C@@H]1Cc2cc(CCC(=O)NCCc3nc(-c4ccccc4)cs3)ccc2O1 ZINC000019498135 210252123 /nfs/dbraw/zinc/25/21/23/210252123.db2.gz NBNOPDDSWAAMOK-MRXNPFEDSA-N 0 0 392.524 4.425 40 0 GIABRN O=c1c2c3c(c[nH]c-2nn1-c1cccc(Cl)c1)C(=O)C[C@H](c1cccs1)C3 ZINC000013639600 230885289 /nfs/dbraw/zinc/88/52/89/230885289.db2.gz KOGOYNITIKPMMV-LLVKDONJSA-N 0 0 395.871 4.341 40 0 GIABRN C[C@@H](NC(=O)CCCc1nc(-c2cccnc2)no1)c1ccc2c(c1)CCCC2 ZINC000019458802 210250051 /nfs/dbraw/zinc/25/00/51/210250051.db2.gz LVPWZKWVEMHFBV-MRXNPFEDSA-N 0 0 390.487 4.211 40 0 GIABRN Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)c1 ZINC000113942290 231023523 /nfs/dbraw/zinc/02/35/23/231023523.db2.gz ZRUYJPGGIZFHBK-UHFFFAOYSA-N 0 0 386.517 4.120 40 0 GIABRN CC(C)CC(=O)N1CCC[C@](Cc2cccc(-c3cccs3)c2)(C(N)=O)C1 ZINC000019446325 210248782 /nfs/dbraw/zinc/24/87/82/210248782.db2.gz BIEZUCJXFXHFAD-JOCHJYFZSA-N 0 0 384.545 4.098 40 0 GIABRN CC(C)CC(=O)N1CCC[C@](Cc2ccc(-c3cccs3)cc2)(C(N)=O)C1 ZINC000019446301 210248434 /nfs/dbraw/zinc/24/84/34/210248434.db2.gz MKASUSOUKXRQCF-JOCHJYFZSA-N 0 0 384.545 4.098 40 0 GIABRN Cc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)NC1CCCCC1 ZINC000408551677 231058440 /nfs/dbraw/zinc/05/84/40/231058440.db2.gz LXERDLLUGLUOED-UHFFFAOYSA-N 0 0 392.565 4.059 40 0 GIABRN CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)CC(C)C)C1 ZINC000019446303 210248198 /nfs/dbraw/zinc/24/81/98/210248198.db2.gz FTLMFDCLQBXSSX-HSZRJFAPSA-N 0 0 398.572 4.359 40 0 GIABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 ZINC000408562250 231061779 /nfs/dbraw/zinc/06/17/79/231061779.db2.gz OIQAGXVABFGHNX-UHFFFAOYSA-N 0 0 393.896 4.077 40 0 GIABRN CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1cc(OC)cc(OC)c1 ZINC000408563005 231063133 /nfs/dbraw/zinc/06/31/33/231063133.db2.gz SULLNGGQTHEZSM-DQRAZIAOSA-N 0 0 382.485 4.303 40 0 GIABRN Cc1ccc(CC(=O)N2NC(C(C)(C)C)=C[C@]2(O)C(F)(F)F)c(Cl)c1 ZINC000408564290 231064643 /nfs/dbraw/zinc/06/46/43/231064643.db2.gz XZMMQLVGLGRTMV-INIZCTEOSA-N 0 0 376.806 4.076 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)NC2CCCCCC2)cc1)N1CCCCCC1 ZINC000408583345 231066428 /nfs/dbraw/zinc/06/64/28/231066428.db2.gz HQRPJKIIBFAMBO-UHFFFAOYSA-N 0 0 393.553 4.096 40 0 GIABRN Cc1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1NC(=O)c1ccccc1 ZINC000408606032 231077204 /nfs/dbraw/zinc/07/72/04/231077204.db2.gz LBAVDKUYCWYWOC-UHFFFAOYSA-N 0 0 394.496 4.068 40 0 GIABRN Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3N3CCC(C)CC3)CC2=O)c1 ZINC000408707374 231101182 /nfs/dbraw/zinc/10/11/82/231101182.db2.gz JPOUTBZGIGHURK-IBGZPJMESA-N 0 0 391.515 4.223 40 0 GIABRN Cc1ccc(OCC(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 ZINC000408714457 231104201 /nfs/dbraw/zinc/10/42/01/231104201.db2.gz RDWHHWBQYMPQDU-UHFFFAOYSA-N 0 0 393.487 4.380 40 0 GIABRN O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1cccc(F)c1 ZINC000408622235 231083925 /nfs/dbraw/zinc/08/39/25/231083925.db2.gz OTGVXZJXCWHWPJ-UHFFFAOYSA-N 0 0 377.872 4.206 40 0 GIABRN Cc1ccc(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)cc1C ZINC000408623172 231084237 /nfs/dbraw/zinc/08/42/37/231084237.db2.gz DQVFBCNEHVPXNS-UHFFFAOYSA-N 0 0 392.480 4.118 40 0 GIABRN Cc1c(Br)ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1C ZINC000408639980 231090714 /nfs/dbraw/zinc/09/07/14/231090714.db2.gz GZWKFRXCHXTLDL-CQSZACIVSA-N 0 0 387.277 4.058 40 0 GIABRN O=C(CCc1nc(-c2ccncc2)no1)N1CCCC[C@H]1CCc1ccccc1 ZINC000019371020 210246072 /nfs/dbraw/zinc/24/60/72/210246072.db2.gz CLWJFSCPKSXSDN-FQEVSTJZSA-N 0 0 390.487 4.078 40 0 GIABRN COc1ccc(C(=O)N2CCC(C(=O)Nc3cccc4ccccc43)CC2)cc1 ZINC000408970333 231138177 /nfs/dbraw/zinc/13/81/77/231138177.db2.gz GHTSENPBGIGEKX-UHFFFAOYSA-N 0 0 388.467 4.339 40 0 GIABRN CCn1nc(C)c(N2C(=O)c3cccc4cc(Br)cc(c43)C2=O)c1C ZINC000408977226 231140516 /nfs/dbraw/zinc/14/05/16/231140516.db2.gz UYXFPXVBYWYSMA-UHFFFAOYSA-N 0 0 398.260 4.236 40 0 GIABRN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000408922443 231131842 /nfs/dbraw/zinc/13/18/42/231131842.db2.gz AVOJVRKALYIXSY-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN O=C(c1cccnc1)N1[C@@H]2CC[C@H]1c1c(nc(C3CC3)nc1Nc1ccccc1)C2 ZINC000019373012 210245395 /nfs/dbraw/zinc/24/53/95/210245395.db2.gz WTEGBZTYPVVUJT-QUCCMNQESA-N 0 0 397.482 4.395 40 0 GIABRN CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1ccccc1Cl ZINC000409152124 231172353 /nfs/dbraw/zinc/17/23/53/231172353.db2.gz DJJHYEDWGKDWGN-CZUORRHYSA-N 0 0 392.956 4.405 40 0 GIABRN Cc1ccc(OCc2nn(CC(=O)Nc3cc(C)ccc3C)c(=S)o2)cc1 ZINC000409155137 231172623 /nfs/dbraw/zinc/17/26/23/231172623.db2.gz CBHJIVOEOQEPJS-UHFFFAOYSA-N 0 0 383.473 4.349 40 0 GIABRN O=C(CCCOc1ccccc1F)N1CCC[C@H]1c1n[nH]cc1-c1ccncc1 ZINC000019350272 210245083 /nfs/dbraw/zinc/24/50/83/210245083.db2.gz JJTXMCRLOFKTNR-IBGZPJMESA-N 0 0 394.450 4.134 40 0 GIABRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc(F)c3)C2=O)c(C)c1 ZINC000409372603 231196851 /nfs/dbraw/zinc/19/68/51/231196851.db2.gz FLXYVTHBJUSZNX-LICLKQGHSA-N 0 0 398.459 4.426 40 0 GIABRN O=C1NC(=Cc2ccc(N3CCCCCC3)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409165965 231173772 /nfs/dbraw/zinc/17/37/72/231173772.db2.gz BKYBDYMNWMUGFG-GHRIWEEISA-N 0 0 385.851 4.411 40 0 GIABRN O=C(C1CC1)N1CCCc2cc(-c3csc(NC[C@H]4CCCO4)n3)ccc21 ZINC000019346404 210244630 /nfs/dbraw/zinc/24/46/30/210244630.db2.gz NLQVDEBATLGGNV-QGZVFWFLSA-N 0 0 383.517 4.090 40 0 GIABRN Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)o1 ZINC000409224989 231183343 /nfs/dbraw/zinc/18/33/43/231183343.db2.gz NUSFYJOXCIEORK-VGOFMYFVSA-N 0 0 394.811 4.056 40 0 GIABRN COCCCN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2)C1=O ZINC000409247753 231187526 /nfs/dbraw/zinc/18/75/26/231187526.db2.gz NQGDQQLZDLKGIR-XMHGGMMESA-N 0 0 383.469 4.338 40 0 GIABRN O=C(NCCc1ccc(Cl)cc1)c1cc(-c2ccncc2)c2cnccc2n1 ZINC000019333665 210242523 /nfs/dbraw/zinc/24/25/23/210242523.db2.gz YNPLFWZVVWPDTE-UHFFFAOYSA-N 0 0 388.858 4.318 40 0 GIABRN NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)C2CCCCC2)C1 ZINC000019333490 210241933 /nfs/dbraw/zinc/24/19/33/210241933.db2.gz RQWHGJLWRHTZER-HSZRJFAPSA-N 0 0 396.556 4.242 40 0 GIABRN O=C(c1cscn1)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 ZINC000019341757 210241728 /nfs/dbraw/zinc/24/17/28/210241728.db2.gz TVFSSLOSMXBSGN-UHFFFAOYSA-N 0 0 380.395 4.058 40 0 GIABRN Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3ccc(F)cc3F)C2)n1 ZINC000019286835 210238557 /nfs/dbraw/zinc/23/85/57/210238557.db2.gz XWYWLWSLTDDYOC-INIZCTEOSA-N 0 0 394.425 4.145 40 0 GIABRN Cn1ccnc1-c1nc(NCc2ccccn2)ncc1-c1cccc(Cl)c1 ZINC000019291723 210237921 /nfs/dbraw/zinc/23/79/21/210237921.db2.gz NTWFWSVLHYWNIA-UHFFFAOYSA-N 0 0 376.851 4.205 40 0 GIABRN CCc1ccccc1NC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1 ZINC000408673905 529600455 /nfs/dbraw/zinc/60/04/55/529600455.db2.gz WBTLACXNUORAJH-CWFSZBLJSA-N 0 0 390.483 4.427 40 0 GIABRN Cc1cnccc1-c1c[nH]nc1[C@@H]1CCCCN1C(=O)Cc1ccccc1F ZINC000019239587 210235396 /nfs/dbraw/zinc/23/53/96/210235396.db2.gz CRRGSYKTKVLBMF-FQEVSTJZSA-N 0 0 378.451 4.216 40 0 GIABRN CCc1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c2)cc1 ZINC000409204379 529692992 /nfs/dbraw/zinc/69/29/92/529692992.db2.gz GGKXBOITUUSJHC-BGYRXZFFSA-N 0 0 377.440 4.148 40 0 GIABRN COc1cc(C)ccc1C[NH2+][C@@H](Cc1cc(=O)[nH]c(C)n1)c1ccc(Cl)cc1 ZINC000019134150 210226744 /nfs/dbraw/zinc/22/67/44/210226744.db2.gz LNHUUOUYZCIQMJ-FQEVSTJZSA-N 0 0 397.906 4.122 40 0 GIABRN Cc1cc(-c2snnc2C2CCN(Cc3ccc(F)c(F)c3)CC2)on1 ZINC000019120818 210226838 /nfs/dbraw/zinc/22/68/38/210226838.db2.gz NVDLSSWYRYASEJ-UHFFFAOYSA-N 0 0 376.432 4.159 40 0 GIABRN Cc1cc(C(F)F)nn1[C@H](C)C(=O)N[C@@H](Cc1cccs1)c1ccccn1 ZINC000019119055 210226265 /nfs/dbraw/zinc/22/62/65/210226265.db2.gz QZFVTIQCPSISMP-CJNGLKHVSA-N 0 0 390.459 4.247 40 0 GIABRN Cc1cc(C(F)F)nn1[C@H](C)C(=O)N[C@H](Cc1ccsc1)c1nccs1 ZINC000019119086 210225991 /nfs/dbraw/zinc/22/59/91/210225991.db2.gz YXLBQZAOYCSTHU-BXUZGUMPSA-N 0 0 396.488 4.308 40 0 GIABRN CC(=O)N1CC[C@H](c2nc(C)cc(NCC3(c4cccc(F)c4)CCCC3)n2)C1 ZINC000019118226 210226003 /nfs/dbraw/zinc/22/60/03/210226003.db2.gz LFBIWTQERYPLPX-SFHVURJKSA-N 0 0 396.510 4.184 40 0 GIABRN C[C@@H](C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)n1ccnc1 ZINC000019080728 210226149 /nfs/dbraw/zinc/22/61/49/210226149.db2.gz DQXBLXCPGQJBOA-NSHDSACASA-N 0 0 380.395 4.149 40 0 GIABRN CC(C)(C)C(=O)N1CCC[C@@](Cc2cccc(-c3cccs3)c2)(C(N)=O)C1 ZINC000019081157 210225265 /nfs/dbraw/zinc/22/52/65/210225265.db2.gz ZWWGPGRBZARLMR-QFIPXVFZSA-N 0 0 384.545 4.098 40 0 GIABRN S=C(NCCCCCCNC(=S)NC1CCCCC1)NC1CCCCC1 ZINC000019074930 210223132 /nfs/dbraw/zinc/22/31/32/210223132.db2.gz JZHYKIONYHNOCZ-UHFFFAOYSA-N 0 0 398.686 4.140 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)C[C@H]1C=CCC1 ZINC000019017483 210221918 /nfs/dbraw/zinc/22/19/18/210221918.db2.gz VGAKSZCBHTUNFV-KZDDHRSZSA-N 0 0 380.532 4.128 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1cccc(F)c1 ZINC000019017510 210221161 /nfs/dbraw/zinc/22/11/61/210221161.db2.gz IWXBTKAGZITPMZ-ZRBLBEILSA-N 0 0 394.490 4.225 40 0 GIABRN O=C(NC[C@@H]1CCC[C@H](CNC(=O)NC2CCCCC2)C1)NC1CCCCC1 ZINC000018206972 210216598 /nfs/dbraw/zinc/21/65/98/210216598.db2.gz CIQGCJUDSYLVNW-HDICACEKSA-N 0 0 392.588 4.057 40 0 GIABRN CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccc(OC)cc1 ZINC000018131619 210214223 /nfs/dbraw/zinc/21/42/23/210214223.db2.gz KOWYXVWSPCZZNY-ACJLOTCBSA-N 0 0 392.293 4.493 40 0 GIABRN C[C@H](CCc1ccccc1)NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000017156399 210205809 /nfs/dbraw/zinc/20/58/09/210205809.db2.gz SLPSHHGDZXVTHG-OAHLLOKOSA-N 0 0 383.879 4.460 40 0 GIABRN CCc1nc2c(n1C(C)=O)SC(c1ccc(C(C)(C)C)cc1)=NN2C(C)=O ZINC000016777719 210196841 /nfs/dbraw/zinc/19/68/41/210196841.db2.gz HCLQQNYVGCSATP-UHFFFAOYSA-N 0 0 384.505 4.224 40 0 GIABRN O=Cc1ccccc1OCc1nc2ccccc2nc1COc1ccccc1C=O ZINC000016449504 210191603 /nfs/dbraw/zinc/19/16/03/210191603.db2.gz QBLSMCHEUFSUHW-UHFFFAOYSA-N 0 0 398.418 4.413 40 0 GIABRN O=c1[nH]n(-c2ccccc2)c(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c12 ZINC000016493701 210190604 /nfs/dbraw/zinc/19/06/04/210190604.db2.gz NVYWOHQGEMUCND-UHFFFAOYSA-N 0 0 376.026 4.293 40 0 GIABRN Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1 ZINC000016028765 210183308 /nfs/dbraw/zinc/18/33/08/210183308.db2.gz VBXGTEHDJLEFNM-UHFFFAOYSA-N 0 0 380.469 4.072 40 0 GIABRN O=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000015439597 210158662 /nfs/dbraw/zinc/15/86/62/210158662.db2.gz BDCAHRUKIZVLEM-UHFFFAOYSA-N 0 0 388.395 4.018 40 0 GIABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000014704053 210123509 /nfs/dbraw/zinc/12/35/09/210123509.db2.gz FMANEWUNDLFNRF-CQSZACIVSA-N 0 0 398.846 4.269 40 0 GIABRN O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCN(c2ccccc2F)CC1 ZINC000014301552 210113539 /nfs/dbraw/zinc/11/35/39/210113539.db2.gz SYORBWXAUYFXBR-UHFFFAOYSA-N 0 0 385.826 4.097 40 0 GIABRN CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(F)cc1 ZINC000014081544 210101028 /nfs/dbraw/zinc/10/10/28/210101028.db2.gz PMQHDWJCCGFGJK-UHFFFAOYSA-N 0 0 390.871 4.488 40 0 GIABRN CC[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716124 210082311 /nfs/dbraw/zinc/08/23/11/210082311.db2.gz FPJMCFWYOQMCDG-SFHVURJKSA-N 0 0 394.924 4.140 40 0 GIABRN CC(C)CNC(=O)c1ccccc1NC(=O)COc1cccc2ccccc21 ZINC000013684143 210079853 /nfs/dbraw/zinc/07/98/53/210079853.db2.gz QUYKHQZUSCNSRC-UHFFFAOYSA-N 0 0 376.456 4.243 40 0 GIABRN O=C(c1ccccc1OCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000013687108 210079428 /nfs/dbraw/zinc/07/94/28/210079428.db2.gz PXVCIAABQZNLKX-UHFFFAOYSA-N 0 0 390.458 4.367 40 0 GIABRN Cc1onc(-c2cccc(C)c2)c1C(=O)NCc1noc(-c2ccc(C)cc2)n1 ZINC000012195303 209919500 /nfs/dbraw/zinc/91/95/00/209919500.db2.gz GUODSBURCZUEKT-UHFFFAOYSA-N 0 0 388.427 4.247 40 0 GIABRN COc1ccc(OCCNC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000010291617 209856660 /nfs/dbraw/zinc/85/66/60/209856660.db2.gz FMNCPPJHXXHKQY-UHFFFAOYSA-N 0 0 375.468 4.412 40 0 GIABRN O=C(COc1ccccc1Cl)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000007889498 209750718 /nfs/dbraw/zinc/75/07/18/209750718.db2.gz XXSMXUNBNTZWLT-UHFFFAOYSA-N 0 0 394.858 4.288 40 0 GIABRN Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc2c3ccccc3n(C)c2n1 ZINC000035291991 209621709 /nfs/dbraw/zinc/62/17/09/209621709.db2.gz CNRGKDGKHBHCIX-AWEZNQCLSA-N 0 0 391.500 4.253 40 0 GIABRN Cc1cc(C)c(O)c(NC(=S)NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000005612758 209605436 /nfs/dbraw/zinc/60/54/36/209605436.db2.gz BKYNWOHBTUINAY-UHFFFAOYSA-N 0 0 399.299 4.208 40 0 GIABRN O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1cc(Br)ccc1O ZINC000005328238 209587297 /nfs/dbraw/zinc/58/72/97/209587297.db2.gz OZDGXHQKHCQNRU-JYRVWZFOSA-N 0 0 378.609 4.153 40 0 GIABRN COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1cccc(F)c1 ZINC000005163892 209576561 /nfs/dbraw/zinc/57/65/61/209576561.db2.gz WBMRCZDDGIOYSR-RRPUWOKSSA-N 0 0 383.463 4.343 40 0 GIABRN CCOC(=O)c1c2ccccc2sc1NC(=O)C(=O)c1c[nH]c2ccccc21 ZINC000004615638 209503344 /nfs/dbraw/zinc/50/33/44/209503344.db2.gz RUBBJOBSMSYHQU-UHFFFAOYSA-N 0 0 392.436 4.381 40 0 GIABRN CC(C)c1nnc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)s1 ZINC000004388593 209485379 /nfs/dbraw/zinc/48/53/79/209485379.db2.gz AYRXWFFODPBMEH-UHFFFAOYSA-N 0 0 387.534 4.126 40 0 GIABRN Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1C ZINC000003482231 209440890 /nfs/dbraw/zinc/44/08/90/209440890.db2.gz AXCCSYUEMSUIOP-UHFFFAOYSA-N 0 0 386.517 4.120 40 0 GIABRN COc1ccc(NC(=O)CSc2ncnc3sc(C)c(C)c32)cc1OC ZINC000002397078 209361054 /nfs/dbraw/zinc/36/10/54/209361054.db2.gz PAUCVOMKYQUMIK-UHFFFAOYSA-N 0 0 389.502 4.056 40 0 GIABRN CCN(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1 ZINC000001553653 209332421 /nfs/dbraw/zinc/33/24/21/209332421.db2.gz IFJYEGJUQIBBQV-UHFFFAOYSA-N 0 0 376.298 4.406 40 0 in-vitro GIABRN CCOC(=O)C1(c2ccccc2)SC(C(=O)OCC)(c2ccccc2)S1 ZINC000001559396 209332560 /nfs/dbraw/zinc/33/25/60/209332560.db2.gz DPAGRMHCUQHTMH-UHFFFAOYSA-N 0 0 388.510 4.299 40 0 GIABRN COc1cc2ccc3c(c2cc1OC)N(C)[C@@H](OC)c1cc2c(cc1-3)OCO2 ZINC000001697601 209337539 /nfs/dbraw/zinc/33/75/39/209337539.db2.gz ZEZWWHMLCLUVDS-QFIPXVFZSA-N 0 0 379.412 4.348 40 0 GIABRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000001642992 209334787 /nfs/dbraw/zinc/33/47/87/209334787.db2.gz RGNNHAVGJMFODJ-IBGZPJMESA-N 0 0 380.488 4.292 40 0 GIABRN COc1cc([C@@H]2C3=C(CCC3)Oc3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000001591343 209334034 /nfs/dbraw/zinc/33/40/34/209334034.db2.gz QWWAMRZKBGIWDX-OAQYLSRUSA-N 0 0 382.412 4.403 40 0 GIABRN Cc1cccc2cc(CN(Cc3ccco3)C(=O)CC(C)(C)C)c3nnnn3c12 ZINC000001376817 209323681 /nfs/dbraw/zinc/32/36/81/209323681.db2.gz KDAMZJUFYVGYKE-UHFFFAOYSA-N 0 0 391.475 4.144 40 0 GIABRN CCc1cc(I)ccc1NC(=O)COc1ccccc1C ZINC000001311597 209319509 /nfs/dbraw/zinc/31/95/09/209319509.db2.gz CQEVCSAXXRYBTA-UHFFFAOYSA-N 0 0 395.240 4.180 40 0 GIABRN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)C2 ZINC000001169258 209309730 /nfs/dbraw/zinc/30/97/30/209309730.db2.gz YJWPNBAIXUNLEK-NPLPKRQVSA-N 0 0 392.499 4.478 40 0 GIABRN O=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000000990784 209285631 /nfs/dbraw/zinc/28/56/31/209285631.db2.gz YOKZDOHGMFSHGE-UHFFFAOYSA-N 0 0 388.395 4.018 40 0 GIABRN Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000000981621 209284599 /nfs/dbraw/zinc/28/45/99/209284599.db2.gz LVILMNTWDROQCJ-UHFFFAOYSA-N 0 0 392.543 4.461 40 0 GIABRN COc1ccc(OC)c(C(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@@H]3C2(C)C)c1 ZINC000000929302 209279689 /nfs/dbraw/zinc/27/96/89/209279689.db2.gz FJVRJHBPXFUZIF-LHSJRXKWSA-N 0 0 399.516 4.039 40 0 GIABRN O=C(NC1CCCCC1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000000918091 209278922 /nfs/dbraw/zinc/27/89/22/209278922.db2.gz QDSITDITWXYKPR-UHFFFAOYSA-N 0 0 378.354 4.071 40 0 GIABRN Cc1cc2[nH]c(=NN)sc2c(C)c1NC(=O)COc1ccc(Cl)cc1C ZINC000045890266 209196372 /nfs/dbraw/zinc/19/63/72/209196372.db2.gz PUARWAZOMIZKAJ-UHFFFAOYSA-N 0 0 390.896 4.178 40 0 GIABRN COc1cc2ccccc2cc1C(=O)Nc1c(C)cc(NC(N)=S)cc1C ZINC000045890572 209195083 /nfs/dbraw/zinc/19/50/83/209195083.db2.gz MKRQCIKPIBCHBT-UHFFFAOYSA-N 0 0 379.485 4.373 40 0 GIABRN Cc1cc2[nH]c(=NN)sc2c(C)c1NC(=O)COc1ccc(C(C)C)cc1 ZINC000045890104 209195132 /nfs/dbraw/zinc/19/51/32/209195132.db2.gz JJDWOHVSFFLZRV-UHFFFAOYSA-N 0 0 384.505 4.340 40 0 GIABRN COc1cc(OC)cc(N2C(=S)N=NC2COc2cccc3ccccc32)c1 ZINC000013535115 209193342 /nfs/dbraw/zinc/19/33/42/209193342.db2.gz RBFFPBYCMFSVOH-UHFFFAOYSA-N 0 0 393.468 4.305 40 0 GIABRN O=C(Nc1cnn(Cc2cccc(F)c2)c1)[C@@H](c1ccccc1)N1CCCCC1 ZINC000035322716 209192210 /nfs/dbraw/zinc/19/22/10/209192210.db2.gz GOUUADSCJYVZOV-JOCHJYFZSA-N 0 0 392.478 4.236 40 0 GIABRN COCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@@H]1c1ccc(Cl)cc1Cl ZINC000035170126 209182971 /nfs/dbraw/zinc/18/29/71/209182971.db2.gz XTROJNGRBBSKFJ-KRWDZBQOSA-N 0 0 392.242 4.168 40 0 GIABRN COc1cc(NC(=O)[C@@H](C)NC(=O)OCc2ccccc2)cc2ccccc21 ZINC000098092097 212076827 /nfs/dbraw/zinc/07/68/27/212076827.db2.gz DQORNHPLFMGYMF-OAHLLOKOSA-N 0 0 378.428 4.102 40 0 GIABRN O=C(NCc1ccccc1)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000005947008 212067037 /nfs/dbraw/zinc/06/70/37/212067037.db2.gz HWMAKJGPYTVKQD-GDBMZVCRSA-N 0 0 390.365 4.066 40 0 GIABRN O=C(Nc1ccc(F)cc1F)c1cc2nc3c(c(C(F)(F)F)n2n1)CCCC3 ZINC000002749296 212062090 /nfs/dbraw/zinc/06/20/90/212062090.db2.gz YNCWEOYUIKKWMT-UHFFFAOYSA-N 0 0 396.319 4.157 40 0 GIABRN c1csc(CN2CCO[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)c1 ZINC000306126516 212045223 /nfs/dbraw/zinc/04/52/23/212045223.db2.gz DYCNOFQIGPXIER-FQEVSTJZSA-N 0 0 376.485 4.031 40 0 GIABRN COC(=O)[C@H](OC(=O)c1nn(CC2CCCCC2)c2ccccc21)C(C)(C)C ZINC000299817308 212041235 /nfs/dbraw/zinc/04/12/35/212041235.db2.gz SUEOBRAXHJBVGY-IBGZPJMESA-N 0 0 386.492 4.361 40 0 in-vitro GIABRN Cc1noc(C2CC[NH+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)CC2)n1 ZINC000257340583 212028267 /nfs/dbraw/zinc/02/82/67/212028267.db2.gz ZGUAOYVTPLBNTQ-UHFFFAOYSA-N 0 0 377.444 4.123 40 0 GIABRN Cc1cccc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)n1 ZINC000257333497 212025120 /nfs/dbraw/zinc/02/51/20/212025120.db2.gz YBUPWBZSNYSARG-HXUWFJFHSA-N 0 0 379.435 4.475 40 0 GIABRN O=C(N1CCC[C@@H](Cc2cccnc2)C1)C1(Cc2ccccc2F)CCOCC1 ZINC000257317933 212024242 /nfs/dbraw/zinc/02/42/42/212024242.db2.gz VLTYQNORJBPRAG-FQEVSTJZSA-N 0 0 396.506 4.041 40 0 GIABRN COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3cncs3)o2)c1 ZINC000257322644 212023486 /nfs/dbraw/zinc/02/34/86/212023486.db2.gz WGUSJAXMEHRCQD-KRWDZBQOSA-N 0 0 383.473 4.098 40 0 GIABRN COc1ccc(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)cn1 ZINC000257305332 212022786 /nfs/dbraw/zinc/02/27/86/212022786.db2.gz SPLSHPMIGBGVOA-GOSISDBHSA-N 0 0 397.862 4.300 40 0 GIABRN CC(C)c1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)n(C)n1 ZINC000257310893 212022622 /nfs/dbraw/zinc/02/26/22/212022622.db2.gz UHBOTPDXHMFLFM-GOSISDBHSA-N 0 0 392.503 4.142 40 0 GIABRN Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)C2)no1 ZINC000257311224 212021560 /nfs/dbraw/zinc/02/15/60/212021560.db2.gz UIMDIPOSCHJXRV-GOSISDBHSA-N 0 0 377.444 4.123 40 0 GIABRN O=C(COc1ccccc1F)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257310982 212021231 /nfs/dbraw/zinc/02/12/31/212021231.db2.gz UHKRTERBNIBJCC-IBGZPJMESA-N 0 0 398.409 4.286 40 0 GIABRN Cc1noc(C)c1-c1ccc([C@H]2CCCN2S(=O)(=O)Cc2ccccc2)nc1 ZINC000257296485 212019381 /nfs/dbraw/zinc/01/93/81/212019381.db2.gz RDBOFHXIXUEKGZ-HXUWFJFHSA-N 0 0 397.500 4.020 40 0 GIABRN CCC(=O)N1CCC(Cc2cccc(-c3ccccc3C)c2)(C(=O)N(C)C)CC1 ZINC000257278850 212016197 /nfs/dbraw/zinc/01/61/97/212016197.db2.gz ODXKDBSBTFMVBG-UHFFFAOYSA-N 0 0 392.543 4.312 40 0 GIABRN COc1cccc2c1OC(C)(C)[C@H]1CC3(CN(C(=O)c4ccccc4)C3)CO[C@H]21 ZINC000257282467 212015743 /nfs/dbraw/zinc/01/57/43/212015743.db2.gz OTWCZYYWFVHEMQ-AZUAARDMSA-N 0 0 393.483 4.086 40 0 GIABRN CCn1cc(CN2CCO[C@@H](c3cccc(Cc4ccccc4C)n3)C2)c(C)n1 ZINC000257284275 212015808 /nfs/dbraw/zinc/01/58/08/212015808.db2.gz PBZXWYWGANOVQZ-XMMPIXPASA-N 0 0 390.531 4.079 40 0 GIABRN O=C(COc1ccccc1F)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257274901 212014933 /nfs/dbraw/zinc/01/49/33/212014933.db2.gz NNDRWLROCZZLKF-GOSISDBHSA-N 0 0 394.446 4.190 40 0 GIABRN O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)cc1 ZINC000257265429 212013943 /nfs/dbraw/zinc/01/39/43/212013943.db2.gz LYPOKOCFSCIRHT-LJQANCHMSA-N 0 0 394.446 4.482 40 0 GIABRN C[C@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)n1 ZINC000329067277 209159084 /nfs/dbraw/zinc/15/90/84/209159084.db2.gz YHGXDUQIUQGHAN-CYBMUJFWSA-N 0 0 388.393 4.121 40 0 GIABRN Cc1noc(C)c1-c1ccc([C@H]2CCCN2C(=O)Cc2ccccc2F)nc1 ZINC000257257639 212012441 /nfs/dbraw/zinc/01/24/41/212012441.db2.gz KQMMFTWKSAPNCZ-HXUWFJFHSA-N 0 0 379.435 4.399 40 0 GIABRN CC(C)(C)OC(=O)N1CCC[C@H]2O[C@H]3c4cccc(O)c4OC(C)(C)[C@@H]3C[C@H]21 ZINC000257262091 212012473 /nfs/dbraw/zinc/01/24/73/212012473.db2.gz LJZWTICHDDLKLO-AHCXZYCDSA-N 0 0 389.492 4.409 40 0 GIABRN COC(C)(C)C(=O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257255367 212011821 /nfs/dbraw/zinc/01/18/21/212011821.db2.gz KHEGDUFODOMICB-HNNXBMFYSA-N 0 0 376.884 4.050 40 0 GIABRN CC(C)(C)OC(=O)N1CC[C@H]2O[C@H]3c4cccc(O)c4OC(C)(C)[C@@H]3C[C@H]21 ZINC000257250891 212010901 /nfs/dbraw/zinc/01/09/01/212010901.db2.gz JOLPDACHRNZXIW-SRABZTEZSA-N 0 0 375.465 4.019 40 0 GIABRN CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)C3CCCCC3)CCO2)n1 ZINC000257238399 212009536 /nfs/dbraw/zinc/00/95/36/212009536.db2.gz HKUXPALOCBTLNT-HXUWFJFHSA-N 0 0 383.492 4.088 40 0 GIABRN Clc1ccc(CNc2cc(-c3ccccn3)nc(NC3CCCC3)n2)cc1 ZINC000329065431 209159318 /nfs/dbraw/zinc/15/93/18/209159318.db2.gz XRLBTYZOQYHBND-UHFFFAOYSA-N 0 0 379.895 4.002 40 0 GIABRN O=C([O-])C[N@H+](Cc1c(F)cccc1Cl)C1CCN(c2cccc(F)c2)CC1 ZINC000257235449 212008913 /nfs/dbraw/zinc/00/89/13/212008913.db2.gz GXWRSIKOCDLEOS-UHFFFAOYSA-N 0 0 394.849 4.174 40 0 GIABRN COCCC(=O)N[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)O[C@@H]2CCCC[C@@H]12 ZINC000257236141 212008591 /nfs/dbraw/zinc/00/85/91/212008591.db2.gz HAYPEEAKCMLYEV-BSDSXHPESA-N 0 0 385.426 4.247 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)s1 ZINC000257231901 212007656 /nfs/dbraw/zinc/00/76/56/212007656.db2.gz GIQMQJMVBUUFLS-MRXNPFEDSA-N 0 0 399.491 4.498 40 0 GIABRN COc1ncccc1C(=O)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257233353 212007756 /nfs/dbraw/zinc/00/77/56/212007756.db2.gz GOXNBYCZSKKVSZ-SFHVURJKSA-N 0 0 397.862 4.300 40 0 GIABRN CC(C)(C)CN1CCO[C@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000257231532 212006913 /nfs/dbraw/zinc/00/69/13/212006913.db2.gz GHDWYRIXIHZUDV-IBGZPJMESA-N 0 0 377.916 4.104 40 0 GIABRN CCCCc1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)[nH]n1 ZINC000257230453 212006703 /nfs/dbraw/zinc/00/67/03/212006703.db2.gz GCKXHKIAXNKFCF-HXUWFJFHSA-N 0 0 396.466 4.448 40 0 GIABRN CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4Br)OCC[C@]13C2 ZINC000257218145 212006002 /nfs/dbraw/zinc/00/60/02/212006002.db2.gz DCAHQLFVFRZURX-XLMHVBTMSA-N 0 0 392.337 4.468 40 0 GIABRN Cc1cccc(Nc2ccc([C@H]3CCCCN3C(=O)Cc3cccnc3)cn2)n1 ZINC000257218038 212005401 /nfs/dbraw/zinc/00/54/01/212005401.db2.gz DBPRMDAXWKDLEN-HXUWFJFHSA-N 0 0 387.487 4.220 40 0 GIABRN O=C(c1ccccn1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257214247 212004688 /nfs/dbraw/zinc/00/46/88/212004688.db2.gz CLFJCTFHIDMKQE-MRXNPFEDSA-N 0 0 381.863 4.334 40 0 GIABRN FC(F)(F)Oc1cccc(Nc2cc(-c3ccccc3)nc(NC3CC3)n2)c1 ZINC000329021259 209157246 /nfs/dbraw/zinc/15/72/46/209157246.db2.gz OFKIJZOVXYKHLA-UHFFFAOYSA-N 0 0 386.377 4.204 40 0 GIABRN Clc1ccc(CNc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)cc1 ZINC000329023071 209156942 /nfs/dbraw/zinc/15/69/42/209156942.db2.gz OSBYLFKNDOBYTF-UHFFFAOYSA-N 0 0 393.922 4.393 40 0 GIABRN C[C@@H](O)c1ccc2c(c1)CCN(c1cc(C3CC3)nc(Nc3ccccc3)n1)C2 ZINC000329020836 209156981 /nfs/dbraw/zinc/15/69/81/209156981.db2.gz ODMUKQYQMQOSFV-MRXNPFEDSA-N 0 0 386.499 4.136 40 0 GIABRN Cc1cc2nc(-c3cc(-n4cnnc4)cc(C)c3O)oc2c(Br)c1C ZINC000045920592 209195433 /nfs/dbraw/zinc/19/54/33/209195433.db2.gz JZHDHSYKRHYEHC-UHFFFAOYSA-N 0 0 399.248 4.469 40 0 GIABRN CSc1cccc(Nc2cc(-c3cccnc3)nc(NC3CCCC3)n2)c1 ZINC000329006315 209156611 /nfs/dbraw/zinc/15/66/11/209156611.db2.gz LCWCXUJYTKMPRS-UHFFFAOYSA-N 0 0 377.517 4.202 40 0 GIABRN Fc1ccccc1CNc1cc(-c2ccccc2)nc(NC2CCCCC2)n1 ZINC000328995181 209156204 /nfs/dbraw/zinc/15/62/04/209156204.db2.gz JHBBNGKSIIUJBU-UHFFFAOYSA-N 0 0 376.479 4.483 40 0 GIABRN CSc1ccccc1Nc1cc(-c2ccccc2)nc(N[C@H](CO)C(C)C)n1 ZINC000328992607 209156326 /nfs/dbraw/zinc/15/63/26/209156326.db2.gz IXQFIWGXNWUQIP-LJQANCHMSA-N 0 0 394.544 4.460 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc(Nc2c(F)cccc2F)cc(-c2ccccc2)n1 ZINC000329003430 209155390 /nfs/dbraw/zinc/15/53/90/209155390.db2.gz KNBSPQJDOLDFPU-GOSISDBHSA-N 0 0 384.430 4.016 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccccc2)n1 ZINC000329003413 209155325 /nfs/dbraw/zinc/15/53/25/209155325.db2.gz KMRXBTHEJNOPDV-IBGZPJMESA-N 0 0 398.894 4.097 40 0 GIABRN COc1ccc(NC(=O)C2(C)COC(c3ccccc3)OC2)cc1C(F)(F)F ZINC000225953532 211935744 /nfs/dbraw/zinc/93/57/44/211935744.db2.gz ZOEQXABGLQQFKS-UHFFFAOYSA-N 0 0 395.377 4.404 40 0 GIABRN CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 ZINC000225818627 211930408 /nfs/dbraw/zinc/93/04/08/211930408.db2.gz VDNVCOPKFJFJJW-NRFANRHFSA-N 0 0 379.497 4.288 40 0 GIABRN Cc1ccccc1-c1noc(CCC(=O)Nc2ccccc2Br)n1 ZINC000225815506 211930102 /nfs/dbraw/zinc/93/01/02/211930102.db2.gz KCTDGYDUMIRUNJ-UHFFFAOYSA-N 0 0 386.249 4.379 40 0 GIABRN COc1ccc(NC(=O)c2snnc2-c2ccc(Cl)cc2)c(OC)c1 ZINC000225770370 211925722 /nfs/dbraw/zinc/92/57/22/211925722.db2.gz COZKKYVVGXKPFE-UHFFFAOYSA-N 0 0 375.837 4.128 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 ZINC000225667586 211914831 /nfs/dbraw/zinc/91/48/31/211914831.db2.gz CKFMKXKPHDUFPX-AVRDEDQJSA-N 0 0 398.522 4.399 40 0 GIABRN Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc3c(c1)OCCO3)CC(C)(C)O2 ZINC000225674290 211914973 /nfs/dbraw/zinc/91/49/73/211914973.db2.gz LKHNFZBFNLFQQX-MRXNPFEDSA-N 0 0 384.501 4.355 40 0 GIABRN CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc21 ZINC000225702521 211919084 /nfs/dbraw/zinc/91/90/84/211919084.db2.gz AYHFIWUQMXRAIN-UHFFFAOYSA-N 0 0 382.894 4.098 40 0 GIABRN COc1ccc(CCCNC(=S)Nc2ccc(Br)cc2)cc1 ZINC000225555866 211906847 /nfs/dbraw/zinc/90/68/47/211906847.db2.gz JQAPGIWWDBYQEZ-UHFFFAOYSA-N 0 0 379.323 4.377 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 ZINC000225526888 211905478 /nfs/dbraw/zinc/90/54/78/211905478.db2.gz LCSJDNRUGROYFH-DENIHFKCSA-N 0 0 396.531 4.096 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 ZINC000225526975 211905064 /nfs/dbraw/zinc/90/50/64/211905064.db2.gz LCSJDNRUGROYFH-UGKGYDQZSA-N 0 0 396.531 4.096 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 ZINC000225525525 211902776 /nfs/dbraw/zinc/90/27/76/211902776.db2.gz FLADOUAJDUOYGH-AVRDEDQJSA-N 0 0 398.522 4.399 40 0 GIABRN O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc2c(c1)CCCC2 ZINC000225631039 211912297 /nfs/dbraw/zinc/91/22/97/211912297.db2.gz ABQXAQKRNOFUQU-UHFFFAOYSA-N 0 0 385.467 4.143 40 0 GIABRN Cc1cccc(CSCCNC(=O)Cc2cccc(Br)c2)c1 ZINC000225614050 211911226 /nfs/dbraw/zinc/91/12/26/211911226.db2.gz RGUKSMQDAGPPKD-UHFFFAOYSA-N 0 0 378.335 4.350 40 0 GIABRN Cc1ccc(CSCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225454043 211899683 /nfs/dbraw/zinc/89/96/83/211899683.db2.gz IRZRSUMSMPEWQS-IBGZPJMESA-N 0 0 398.572 4.170 40 0 GIABRN Cc1cc(NC(=S)NCc2ccc(OC(C)C)cc2)ccc1N1CCCC1=O ZINC000225447787 211897762 /nfs/dbraw/zinc/89/77/62/211897762.db2.gz IBOQGLAKRPIISH-UHFFFAOYSA-N 0 0 397.544 4.396 40 0 GIABRN Cc1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)cc1F ZINC000328977876 209154172 /nfs/dbraw/zinc/15/41/72/209154172.db2.gz FWQCFUWXXKKAJZ-UHFFFAOYSA-N 0 0 377.467 4.318 40 0 GIABRN COc1ccc(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1F ZINC000225392458 211893357 /nfs/dbraw/zinc/89/33/57/211893357.db2.gz PPTMIVWNAVQARQ-UHFFFAOYSA-N 0 0 383.394 4.482 40 0 GIABRN O=C(COc1ccccc1)N1CCS/C1=C\c1csc(-c2cccnc2)n1 ZINC000225260740 211888686 /nfs/dbraw/zinc/88/86/86/211888686.db2.gz KYPXTNANAQBPIU-YBFXNURJSA-N 0 0 395.509 4.158 40 0 GIABRN COC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)c1 ZINC000225150964 211885981 /nfs/dbraw/zinc/88/59/81/211885981.db2.gz CKPQRWYHIRTVAH-UHFFFAOYSA-N 0 0 381.409 4.173 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 ZINC000225157464 211885080 /nfs/dbraw/zinc/88/50/80/211885080.db2.gz XRKCUFHDCUQBQE-QFIPXVFZSA-N 0 0 380.532 4.180 40 0 GIABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCC2=CCCCC2)cc1 ZINC000225102674 211884517 /nfs/dbraw/zinc/88/45/17/211884517.db2.gz AYYDZSXHEPJOKN-ZHZULCJRSA-N 0 0 380.513 4.444 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000225112285 211884226 /nfs/dbraw/zinc/88/42/26/211884226.db2.gz PPJYBDLNXLXXGA-HSZRJFAPSA-N 0 0 396.506 4.211 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2ccc(F)cc2Br)cc(C2CC2)n1 ZINC000328966932 209153901 /nfs/dbraw/zinc/15/39/01/209153901.db2.gz CPBSYEUQWJUMJL-JTQLQIEISA-N 0 0 379.277 4.053 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C ZINC000225133186 211884090 /nfs/dbraw/zinc/88/40/90/211884090.db2.gz FIGXNWYYVWGYNN-NRFANRHFSA-N 0 0 396.531 4.016 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 ZINC000225133724 211884106 /nfs/dbraw/zinc/88/41/06/211884106.db2.gz NNHPHPOAQHYVSR-NRFANRHFSA-N 0 0 398.572 4.421 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 ZINC000225083130 211882804 /nfs/dbraw/zinc/88/28/04/211882804.db2.gz KTJYUSXPVRBOPL-WOJBJXKFSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@H](NC(=O)CN1c2cccc3cccc(c23)C1=O)c1ccc(OC)c(C)c1 ZINC000225312787 211891293 /nfs/dbraw/zinc/89/12/93/211891293.db2.gz NNRZGOROSBPRKH-IBGZPJMESA-N 0 0 388.467 4.385 40 0 GIABRN O=C(CCc1c(Cl)cccc1Cl)Nc1ccc(N2CCOCC2)cc1 ZINC000225018188 211880987 /nfs/dbraw/zinc/88/09/87/211880987.db2.gz PXRPUGZIRDCXDY-UHFFFAOYSA-N 0 0 379.287 4.401 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 ZINC000225043643 211880832 /nfs/dbraw/zinc/88/08/32/211880832.db2.gz PLEDZMNNKFLCDK-WOJBJXKFSA-N 0 0 380.532 4.178 40 0 GIABRN CCOC(=O)c1cc(N(C)S(=O)(=O)c2ccc(SC)cc2)ccc1Cl ZINC000224994169 211878588 /nfs/dbraw/zinc/87/85/88/211878588.db2.gz CJSVULYPFXFTKO-UHFFFAOYSA-N 0 0 399.921 4.064 40 0 GIABRN CCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224986384 211878410 /nfs/dbraw/zinc/87/84/10/211878410.db2.gz LSEUNHWBGLIFHB-QFIPXVFZSA-N 0 0 396.506 4.234 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000225003621 211878293 /nfs/dbraw/zinc/87/82/93/211878293.db2.gz HOFCNSZSGJOKIZ-PMACEKPBSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 ZINC000225043719 211881128 /nfs/dbraw/zinc/88/11/28/211881128.db2.gz PLEDZMNNKFLCDK-UXHICEINSA-N 0 0 380.532 4.178 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1 ZINC000224705515 211870684 /nfs/dbraw/zinc/87/06/84/211870684.db2.gz GADUBDVVFBJRKK-IBGZPJMESA-N 0 0 398.572 4.172 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000224662105 211869999 /nfs/dbraw/zinc/86/99/99/211869999.db2.gz MZNIUSQPETWABZ-SFHVURJKSA-N 0 0 384.495 4.009 40 0 GIABRN CCCC[C@H](CC)CNC(=O)CCCN(c1c(C)cccc1C)S(C)(=O)=O ZINC000224652007 211869146 /nfs/dbraw/zinc/86/91/46/211869146.db2.gz JUDXAGAYSHTYAV-IBGZPJMESA-N 0 0 396.597 4.182 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 ZINC000224632217 211867582 /nfs/dbraw/zinc/86/75/82/211867582.db2.gz XDWUDOJUVURMHC-SFHVURJKSA-N 0 0 384.545 4.031 40 0 GIABRN CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 ZINC000224615842 211867607 /nfs/dbraw/zinc/86/76/07/211867607.db2.gz DGAGAYNJTOTXCY-KRWDZBQOSA-N 0 0 386.923 4.215 40 0 GIABRN CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224615962 211867671 /nfs/dbraw/zinc/86/76/71/211867671.db2.gz OXVZTTMNPYPOJR-UHFFFAOYSA-N 0 0 390.288 4.226 40 0 GIABRN Cc1cccc(N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)c1C ZINC000224742764 211870793 /nfs/dbraw/zinc/87/07/93/211870793.db2.gz ZLYJWIVSVAOFCR-UHFFFAOYSA-N 0 0 396.597 4.181 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000224519406 211865575 /nfs/dbraw/zinc/86/55/75/211865575.db2.gz SXJCQSWWDMKBCM-QFIPXVFZSA-N 0 0 380.532 4.199 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCOc1ccccc1 ZINC000224209875 211857467 /nfs/dbraw/zinc/85/74/67/211857467.db2.gz FICRJQZIWXQEJR-JOCHJYFZSA-N 0 0 396.531 4.098 40 0 GIABRN CC[C@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1)c1ccc(OC)c(C)c1 ZINC000224324608 211860366 /nfs/dbraw/zinc/86/03/66/211860366.db2.gz REGLRRSGTSIQBB-INIZCTEOSA-N 0 0 383.897 4.095 40 0 GIABRN CC[C@@H](C)NC(=O)c1cc(N(C)S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000224338100 211860070 /nfs/dbraw/zinc/86/00/70/211860070.db2.gz USCMICCFPWIKJN-CQSZACIVSA-N 0 0 394.924 4.002 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1Cl ZINC000223981428 211850196 /nfs/dbraw/zinc/85/01/96/211850196.db2.gz SAYRKQLGDDCJRN-UHFFFAOYSA-N 0 0 388.876 4.135 40 0 GIABRN C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(F)cc1 ZINC000223924660 211847434 /nfs/dbraw/zinc/84/74/34/211847434.db2.gz NXNOAUHLLKFLOW-HNNXBMFYSA-N 0 0 398.459 4.118 40 0 GIABRN Cc1ccccc1CN(C(=O)CCc1ccccc1)[C@H](C)C(=O)NC1CCCC1 ZINC000223760018 211844992 /nfs/dbraw/zinc/84/49/92/211844992.db2.gz ZISSLCABDNUEBR-HXUWFJFHSA-N 0 0 392.543 4.404 40 0 GIABRN CCC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223706433 211842921 /nfs/dbraw/zinc/84/29/21/211842921.db2.gz UOWWSPJCGGXUEC-UWJYYQICSA-N 0 0 384.495 4.090 40 0 GIABRN CC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000223471980 211834256 /nfs/dbraw/zinc/83/42/56/211834256.db2.gz WEOGDLMCQQQYSX-QHCPKHFHSA-N 0 0 390.458 4.232 40 0 GIABRN Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1C ZINC000223463215 211833838 /nfs/dbraw/zinc/83/38/38/211833838.db2.gz JUCPMZUBEWRJKY-CQSZACIVSA-N 0 0 394.924 4.128 40 0 GIABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000223551858 211836571 /nfs/dbraw/zinc/83/65/71/211836571.db2.gz IGCOEVGILABFCW-NRFANRHFSA-N 0 0 394.559 4.222 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223540198 211835208 /nfs/dbraw/zinc/83/52/08/211835208.db2.gz HQFZSIGUJJWWNW-IBGZPJMESA-N 0 0 380.532 4.296 40 0 GIABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000223251104 211827336 /nfs/dbraw/zinc/82/73/36/211827336.db2.gz HNLDDEYROLHLPO-FQEVSTJZSA-N 0 0 387.907 4.362 40 0 GIABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000223103563 211823231 /nfs/dbraw/zinc/82/32/31/211823231.db2.gz DLYCMRHCDHCQMR-INIZCTEOSA-N 0 0 383.473 4.318 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1C ZINC000223133149 211822899 /nfs/dbraw/zinc/82/28/99/211822899.db2.gz KCSZJGUEPHHMHO-FQEVSTJZSA-N 0 0 396.531 4.096 40 0 GIABRN COc1ccc(-c2ncc(C(=O)Nc3ccccc3Br)c(C)n2)cc1 ZINC000223140704 211823016 /nfs/dbraw/zinc/82/30/16/211823016.db2.gz VGKJFHSWVPCQDI-UHFFFAOYSA-N 0 0 398.260 4.475 40 0 GIABRN CCC1(CC)C[C@H](NC(=O)Cc2ccc(OC)c(OC)c2)c2ccccc2O1 ZINC000223202079 211825854 /nfs/dbraw/zinc/82/58/54/211825854.db2.gz CNZAYYOWVRQXJA-SFHVURJKSA-N 0 0 383.488 4.445 40 0 GIABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 ZINC000222977416 211817835 /nfs/dbraw/zinc/81/78/35/211817835.db2.gz HUQCGTGADBDEAA-SFTDATJTSA-N 0 0 392.528 4.351 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 ZINC000222968656 211817743 /nfs/dbraw/zinc/81/77/43/211817743.db2.gz FABOHCYGPKCNSC-FQEVSTJZSA-N 0 0 384.545 4.031 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1 ZINC000223027647 211819793 /nfs/dbraw/zinc/81/97/93/211819793.db2.gz QMRGKEXHELYISL-DLBZAZTESA-N 0 0 386.923 4.215 40 0 GIABRN COc1cc(CNC(=O)COc2ccc3ccccc3c2)ccc1OC(C)C ZINC000222833640 211811909 /nfs/dbraw/zinc/81/19/09/211811909.db2.gz QEQLREBBUWFZNQ-UHFFFAOYSA-N 0 0 379.456 4.331 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000222921416 211815747 /nfs/dbraw/zinc/81/57/47/211815747.db2.gz BBCXZAGIHKNSOB-NRFANRHFSA-N 0 0 398.572 4.090 40 0 GIABRN O=S(=O)(Cc1ccc(Br)cc1)NCc1cccc2ccccc21 ZINC000222860563 211814430 /nfs/dbraw/zinc/81/44/30/211814430.db2.gz AYDBOHOGLDEGQC-UHFFFAOYSA-N 0 0 390.302 4.222 40 0 GIABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Br)s1 ZINC000222859375 211813492 /nfs/dbraw/zinc/81/34/92/211813492.db2.gz KKQYJAAQSKFJKI-ZIAGYGMSSA-N 0 0 382.352 4.288 40 0 GIABRN Cc1cccc(CN(C(=O)COc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222712407 211808655 /nfs/dbraw/zinc/80/86/55/211808655.db2.gz YLPJOFPSNBHKIR-IBGZPJMESA-N 0 0 396.531 4.014 40 0 GIABRN C[C@@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000222657333 211807538 /nfs/dbraw/zinc/80/75/38/211807538.db2.gz VIXXBBPTBQGFIA-MURKYSCBSA-N 0 0 375.424 4.469 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl ZINC000222578056 211804835 /nfs/dbraw/zinc/80/48/35/211804835.db2.gz VEQGDONLNOMDJH-CQSZACIVSA-N 0 0 393.314 4.089 40 0 GIABRN CCc1ccccc1NC(=O)CCNC(=O)c1ccc2c(c1)nc(Cl)n2CC ZINC000222548874 211803302 /nfs/dbraw/zinc/80/33/02/211803302.db2.gz JZAMRUDCVAXTOR-UHFFFAOYSA-N 0 0 398.894 4.031 40 0 GIABRN CC[C@H](C(=O)Nc1cccc(Cl)c1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220530357 211786203 /nfs/dbraw/zinc/78/62/03/211786203.db2.gz RXMOYUQINARCGC-QGZVFWFLSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220559061 211786294 /nfs/dbraw/zinc/78/62/94/211786294.db2.gz OOYXUDVBIZNEQL-SFHVURJKSA-N 0 0 394.924 4.140 40 0 GIABRN c1ccc(-n2nnnc2N2C[C@H]3[C@H](C2)C2c4ccccc4C3c3ccccc32)cc1 ZINC000057731683 211775089 /nfs/dbraw/zinc/77/50/89/211775089.db2.gz DWVXKDFGGKSSAK-WOLZVPSQSA-N 0 0 391.478 4.006 40 0 GIABRN CC[C@@H](NC(=O)[C@@H](CC)Oc1ccccc1F)c1ccc(OC)c(OC)c1 ZINC000219582899 211772731 /nfs/dbraw/zinc/77/27/31/211772731.db2.gz SCRLVLFDXFLQGG-IAGOWNOFSA-N 0 0 375.440 4.268 40 0 GIABRN CC[C@H](NC(=O)[C@H](CC)Oc1ccccc1OC)c1ccc(OC)c(OC)c1 ZINC000219567815 211772389 /nfs/dbraw/zinc/77/23/89/211772389.db2.gz UCRWTUIDKLBPGO-IRXDYDNUSA-N 0 0 387.476 4.137 40 0 GIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000219361365 211770760 /nfs/dbraw/zinc/77/07/60/211770760.db2.gz POFGFFDDLQYOKQ-RBUKOAKNSA-N 0 0 387.476 4.137 40 0 GIABRN CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000219371776 211770299 /nfs/dbraw/zinc/77/02/99/211770299.db2.gz YICALGVGPCOEJG-KRWDZBQOSA-N 0 0 399.878 4.481 40 0 GIABRN CC[C@H](Oc1ccccc1C)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219315791 211768304 /nfs/dbraw/zinc/76/83/04/211768304.db2.gz QZBUYORLZXQXGG-INIZCTEOSA-N 0 0 385.851 4.172 40 0 GIABRN CC[C@H](c1nn2c(nnc2-c2ccc(OC)c(OC)c2)s1)c1ccccc1 ZINC000013566793 211699567 /nfs/dbraw/zinc/69/95/67/211699567.db2.gz CPYBROOTXIGWEB-HNNXBMFYSA-N 0 0 380.473 4.412 40 0 GIABRN COc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NC(=S)NCC(C)C)C3)c2C)cc1 ZINC000012603342 211686833 /nfs/dbraw/zinc/68/68/33/211686833.db2.gz BXNGMGCFSJHSHG-QZTJIDSGSA-N 0 0 398.576 4.030 40 0 biogenic,in-vitro GIABRN Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1C ZINC000007638238 211630651 /nfs/dbraw/zinc/63/06/51/211630651.db2.gz SYTOHAPPPIFODC-UHFFFAOYSA-N 0 0 386.517 4.039 40 0 GIABRN Nc1c(Br)cc(NC(=O)c2cccs2)cc1Br ZINC000008702080 211618073 /nfs/dbraw/zinc/61/80/73/211618073.db2.gz ZHHZJXVNSCRNKP-UHFFFAOYSA-N 0 0 376.073 4.108 40 0 GIABRN Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccccc2)c(C)c1 ZINC000001507159 211611765 /nfs/dbraw/zinc/61/17/65/211611765.db2.gz YNENNUXJTOQPCS-UHFFFAOYSA-N 0 0 384.435 4.204 40 0 GIABRN Cc1cccc(NC(=O)N2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)c1 ZINC000004965538 211558980 /nfs/dbraw/zinc/55/89/80/211558980.db2.gz PUXGMSJQHXBFGM-JOCHJYFZSA-N 0 0 391.515 4.433 40 0 GIABRN COc1ccc(-c2ocnc2C(=O)NCc2ccc(C(F)(F)F)cc2F)cc1 ZINC000005002034 211558612 /nfs/dbraw/zinc/55/86/12/211558612.db2.gz WHFUKKYXJWSLFT-UHFFFAOYSA-N 0 0 394.324 4.438 40 0 GIABRN CCc1cc2ccc(OC)cc2nc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000004849387 211552068 /nfs/dbraw/zinc/55/20/68/211552068.db2.gz ZKLPKKVBNSGUMY-UHFFFAOYSA-N 0 0 396.468 4.265 40 0 GIABRN Cc1cc(C)nc(SCc2nc3ccc(Br)cn3c2Cl)n1 ZINC000004278984 211541014 /nfs/dbraw/zinc/54/10/14/211541014.db2.gz YTXTYXUYRMTWPU-UHFFFAOYSA-N 0 0 383.702 4.449 40 0 GIABRN CCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccncc1 ZINC000004560736 211546663 /nfs/dbraw/zinc/54/66/63/211546663.db2.gz SWOHOSJORYDYGS-UHFFFAOYSA-N 0 0 395.532 4.406 40 0 GIABRN O=C(NCc1ccccc1Cl)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 ZINC000001379859 211509830 /nfs/dbraw/zinc/50/98/30/211509830.db2.gz KPGNHIDQDNYKSC-KRWDZBQOSA-N 0 0 392.286 4.306 40 0 GIABRN COc1ccc(-c2noc([C@@H]3CCCN(C(=O)Nc4ccc(C)cc4)C3)n2)cc1 ZINC000001362834 211507222 /nfs/dbraw/zinc/50/72/22/211507222.db2.gz PQYJJMDYBOVBBP-QGZVFWFLSA-N 0 0 392.459 4.465 40 0 GIABRN Cc1cccc2cc(CN(Cc3cccs3)C(=O)c3ccco3)c(=O)[nH]c12 ZINC000001346751 211505380 /nfs/dbraw/zinc/50/53/80/211505380.db2.gz DAIUFCHLYZQGTN-UHFFFAOYSA-N 0 0 378.453 4.334 40 0 GIABRN CC(=O)c1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C)OCO4)cc1 ZINC000000929874 211497462 /nfs/dbraw/zinc/49/74/62/211497462.db2.gz YVKZGEDTLIRBGW-UHFFFAOYSA-N 0 0 394.452 4.205 40 0 GIABRN COc1cccc(NC(=O)c2sc3nc4cc(OC)ccc4cc3c2N)c1 ZINC000000933868 211497388 /nfs/dbraw/zinc/49/73/88/211497388.db2.gz IWYYMPNQIAMKBP-UHFFFAOYSA-N 0 0 379.441 4.301 40 0 GIABRN CC1CCN(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)CC1 ZINC000000918411 211496277 /nfs/dbraw/zinc/49/62/77/211496277.db2.gz DUGNMHWHPQAWIA-SWLSCSKDSA-N 0 0 382.386 4.009 40 0 GIABRN Cc1cccc(N2C(=O)[C@@H]3[C@H](c4ccccc4C)N(c4ccccc4)O[C@@H]3C2=O)c1 ZINC000101168502 211397048 /nfs/dbraw/zinc/39/70/48/211397048.db2.gz ZBLYLOUOOPRVGQ-VJBWXMMDSA-N 0 0 398.462 4.355 40 0 GIABRN Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3CC=CCC3)CC2)on1 ZINC000100744058 211390250 /nfs/dbraw/zinc/39/02/50/211390250.db2.gz NUKTZUAMEBTGKI-KSZLIROESA-N 0 0 382.508 4.130 40 0 GIABRN CC(=O)c1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)c(Br)c1 ZINC000098210696 211379087 /nfs/dbraw/zinc/37/90/87/211379087.db2.gz HTTYFSWETMMPBP-SECBINFHSA-N 0 0 381.066 4.455 40 0 GIABRN CCc1ccc([C@@H](C)NS(=O)(=O)c2cc(Br)ccc2OC)cc1 ZINC000223308858 211364720 /nfs/dbraw/zinc/36/47/20/211364720.db2.gz YLKZIWARPLCAKI-GFCCVEGCSA-N 0 0 398.322 4.060 40 0 GIABRN CCCNC(=O)c1cc2ccc(-c3cccc(OC)c3)cn2c1-c1cocn1 ZINC000096267045 211327722 /nfs/dbraw/zinc/32/77/22/211327722.db2.gz QTNCORCICFZTJP-UHFFFAOYSA-N 0 0 375.428 4.410 40 0 GIABRN O=C(NC1CCCCC1)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn21 ZINC000096155255 211311726 /nfs/dbraw/zinc/31/17/26/211311726.db2.gz RBJYBCTYKNCKMW-UHFFFAOYSA-N 0 0 385.471 4.250 40 0 GIABRN CC(C)n1c2cc(C(=O)N3CCCCC3)n(C(=O)N(C)C)c2c2ccccc21 ZINC000096146432 211310322 /nfs/dbraw/zinc/31/03/22/211310322.db2.gz AIFPDTPLWMFUJH-UHFFFAOYSA-N 0 0 380.492 4.333 40 0 GIABRN CCCCNC(=O)N1CCC2(C[C@H](CC(=O)N3CCCC3)c3ccccc32)CC1 ZINC000096242131 211322930 /nfs/dbraw/zinc/32/29/30/211322930.db2.gz XAVAQABJZQUFIK-IBGZPJMESA-N 0 0 397.563 4.030 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)SCc1ccccc1 ZINC000096234438 211322131 /nfs/dbraw/zinc/32/21/31/211322131.db2.gz RKPALRSWSQAWQH-CQSZACIVSA-N 0 0 387.530 4.469 40 0 GIABRN Fc1cccc(-c2ccc3nc(C4CCN(Cc5nccs5)CC4)nn3c2)c1 ZINC000096038198 211297034 /nfs/dbraw/zinc/29/70/34/211297034.db2.gz YQBHKKMPRWDEOR-UHFFFAOYSA-N 0 0 393.491 4.372 40 0 GIABRN O=C(c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1)N1CCCO1 ZINC000096037902 211296823 /nfs/dbraw/zinc/29/68/23/211296823.db2.gz DJIZYPWMANXRCM-UHFFFAOYSA-N 0 0 377.425 4.396 40 0 GIABRN COc1cc(CO)c(Br)cc1OCc1ccc(F)cc1Cl ZINC000095095080 211220553 /nfs/dbraw/zinc/22/05/53/211220553.db2.gz JIPWZFNCJNZZKV-UHFFFAOYSA-N 0 0 375.621 4.322 40 0 GIABRN CC(C)C(=O)Nc1cccc(C(=O)OCC(=O)c2cccc3ccccc32)c1 ZINC000016574977 211217331 /nfs/dbraw/zinc/21/73/31/211217331.db2.gz ICAKOPOZLLNWAV-UHFFFAOYSA-N 0 0 375.424 4.474 40 0 GIABRN O=C(OCc1ccc(Cl)cc1)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 ZINC000016399262 211217008 /nfs/dbraw/zinc/21/70/08/211217008.db2.gz UKKBXVBEANEENW-RTBURBONSA-N 0 0 397.858 4.377 40 0 GIABRN CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1ccccc1 ZINC000085409657 211175711 /nfs/dbraw/zinc/17/57/11/211175711.db2.gz QHKRUOCVCOAMOW-JOCHJYFZSA-N 0 0 375.472 4.437 40 0 GIABRN c1ccc2c(c1)N[C@@H]([C@@H]1O[C@H]3CCCN3[C@H]1[C@H]1Nc3ccccc3S1)S2 ZINC000073351362 211126152 /nfs/dbraw/zinc/12/61/52/211126152.db2.gz SKSITQFSDMBHNB-MFKWGIFDSA-N 0 0 383.542 4.264 40 0 GIABRN Cc1nc2ccccc2n1C1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 ZINC000072365988 211103362 /nfs/dbraw/zinc/10/33/62/211103362.db2.gz RGUOIWKTMWZTAM-UHFFFAOYSA-N 0 0 376.435 4.442 40 0 GIABRN Cc1nc2cccnc2n1C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000072365999 211102301 /nfs/dbraw/zinc/10/23/01/211102301.db2.gz DOVWSEDHOKFRRB-UHFFFAOYSA-N 0 0 393.878 4.352 40 0 GIABRN Cc1cc(C)c(S(=O)(=O)N2CCN=C2Cc2cccc3ccccc32)cc1C ZINC000072414338 211115320 /nfs/dbraw/zinc/11/53/20/211115320.db2.gz XPHSWPFRJWTUEM-UHFFFAOYSA-N 0 0 392.524 4.411 40 0 GIABRN CCCC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)C1 ZINC000072391063 211109800 /nfs/dbraw/zinc/10/98/00/211109800.db2.gz DDNQYKNIMMPTRG-DEOSSOPVSA-N 0 0 378.516 4.003 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2cncc(Oc3ccc(F)cc3)n2)s1 ZINC000072383998 211108220 /nfs/dbraw/zinc/10/82/20/211108220.db2.gz ZVHBCBYKQKBGTR-QGZVFWFLSA-N 0 0 398.463 4.459 40 0 GIABRN Cc1cccnc1Nc1cc(CC2CCN(C(=O)OC(C)(C)C)CC2)ncn1 ZINC000072383447 211108111 /nfs/dbraw/zinc/10/81/11/211108111.db2.gz FXGGCVJWVJRUSC-UHFFFAOYSA-N 0 0 383.496 4.113 40 0 GIABRN O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1cccc(Nc2ccc(F)cn2)n1 ZINC000072375285 211106525 /nfs/dbraw/zinc/10/65/25/211106525.db2.gz QPNXWLANRLELSD-IBGZPJMESA-N 0 0 394.425 4.405 40 0 GIABRN Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)n1 ZINC000072378826 211105442 /nfs/dbraw/zinc/10/54/42/211105442.db2.gz MXVACAVAAKPFMK-FQEVSTJZSA-N 0 0 378.451 4.011 40 0 GIABRN CCc1nnc([N-]c2cncc([C@H]3CCC[N@@H+]3CCc3ccccc3)n2)s1 ZINC000072376244 211105291 /nfs/dbraw/zinc/10/52/91/211105291.db2.gz WPLLUMAMHCHCBU-QGZVFWFLSA-N 0 0 380.521 4.014 40 0 GIABRN O=C(c1cccnc1)N1CCC(c2cccc(Cc3ccccc3F)n2)CC1 ZINC000072349109 211095341 /nfs/dbraw/zinc/09/53/41/211095341.db2.gz DFJWRALVWPCZKZ-UHFFFAOYSA-N 0 0 375.447 4.226 40 0 GIABRN O=C(c1cccnc1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 ZINC000072349112 211094940 /nfs/dbraw/zinc/09/49/40/211094940.db2.gz JYQICRPISVDTKB-UHFFFAOYSA-N 0 0 375.447 4.226 40 0 GIABRN Cc1cc(-c2cnc(NCCCn3ccnc3C)nc2-c2cccs2)on1 ZINC000072337499 211093924 /nfs/dbraw/zinc/09/39/24/211093924.db2.gz XWOKTWGVRASORC-UHFFFAOYSA-N 0 0 380.477 4.176 40 0 GIABRN Fc1ccc(CCNc2ncc(-c3cnccn3)c(-c3cccs3)n2)cc1 ZINC000072338751 211093821 /nfs/dbraw/zinc/09/38/21/211093821.db2.gz WXYYJFOWQTWRNS-UHFFFAOYSA-N 0 0 377.448 4.456 40 0 GIABRN O=C(Cc1cccnc1)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358823 211101207 /nfs/dbraw/zinc/10/12/07/211101207.db2.gz BLLKKAYVCXBCIP-GOSISDBHSA-N 0 0 392.890 4.141 40 0 GIABRN COc1cccc(-c2cncc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1 ZINC000072359344 211101049 /nfs/dbraw/zinc/10/10/49/211101049.db2.gz OTWWZOAUZGKONL-GOSISDBHSA-N 0 0 391.446 4.311 40 0 GIABRN Cc1cnc(Nc2cc([C@H]3CCCN3C(=O)Cc3ccccc3)nc(C)n2)s1 ZINC000072359907 211100823 /nfs/dbraw/zinc/10/08/23/211100823.db2.gz FHCQMKZMFGBLMT-GOSISDBHSA-N 0 0 393.516 4.200 40 0 GIABRN O=C(Cc1ccncc1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359589 211100235 /nfs/dbraw/zinc/10/02/35/211100235.db2.gz VRCQTAJPTYAKQT-GOSISDBHSA-N 0 0 392.890 4.141 40 0 GIABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)c2ccccc2)n1 ZINC000072354614 211099231 /nfs/dbraw/zinc/09/92/31/211099231.db2.gz TZHRRWDCMJQGPA-GOSISDBHSA-N 0 0 378.863 4.357 40 0 GIABRN O=C(c1ccc(F)cc1)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1 ZINC000072358478 211099043 /nfs/dbraw/zinc/09/90/43/211099043.db2.gz YKGUZKLDAJIUSM-INIZCTEOSA-N 0 0 379.410 4.442 40 0 GIABRN Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN2C(=O)CCc2ccccc2)n1 ZINC000072354694 211098679 /nfs/dbraw/zinc/09/86/79/211098679.db2.gz OMDLZMKEVUGLCJ-HXUWFJFHSA-N 0 0 390.462 4.161 40 0 GIABRN O=C(Cc1cccnc1)N1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 ZINC000072357906 211098449 /nfs/dbraw/zinc/09/84/49/211098449.db2.gz VKVRGRMXARBBKU-QFIPXVFZSA-N 0 0 375.447 4.113 40 0 GIABRN Cc1nnc(N2CC[C@@H](c3c4ccccc4sc3C(N)=O)C2)c2ccccc12 ZINC000072352343 211097758 /nfs/dbraw/zinc/09/77/58/211097758.db2.gz KEUXNVQGIXUTBY-CQSZACIVSA-N 0 0 388.496 4.246 40 0 GIABRN O=C(c1cccnc1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072349113 211097542 /nfs/dbraw/zinc/09/75/42/211097542.db2.gz KBDKESLQIOHFKN-LJQANCHMSA-N 0 0 375.447 4.226 40 0 GIABRN Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)c3ccc(N)cc3)C2)n1 ZINC000072350697 211097349 /nfs/dbraw/zinc/09/73/49/211097349.db2.gz DHNMEZPPBXGDCL-MRXNPFEDSA-N 0 0 378.501 4.116 40 0 GIABRN CC(=O)Nc1ccc(CN2CCc3onc(Nc4cccc(F)c4)c3C2)cc1 ZINC000072351945 211096764 /nfs/dbraw/zinc/09/67/64/211096764.db2.gz ILXBHHGCRANQLZ-UHFFFAOYSA-N 0 0 380.423 4.074 40 0 GIABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 ZINC000072346097 211095960 /nfs/dbraw/zinc/09/59/60/211095960.db2.gz FFNRGDWVONYVCO-INIZCTEOSA-N 0 0 384.911 4.275 40 0 GIABRN CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(C)=O)CC1 ZINC000072345088 211095925 /nfs/dbraw/zinc/09/59/25/211095925.db2.gz KVNOWQWWNMTLGD-UHFFFAOYSA-N 0 0 384.545 4.113 40 0 GIABRN O=C(N/C(C(=O)N1CCCCC1)=C(\Cl)c1ccccc1F)c1ccccc1 ZINC000072176494 211081884 /nfs/dbraw/zinc/08/18/84/211081884.db2.gz UDLOWLKIMKDFFP-HNENSFHCSA-N 0 0 386.854 4.176 40 0 GIABRN CCC[C@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000044901081 210815845 /nfs/dbraw/zinc/81/58/45/210815845.db2.gz AZHGRZUHHLSHGX-AWEZNQCLSA-N 0 0 394.924 4.368 40 0 GIABRN O=S(=O)(NC1CCCCC1)c1cc(Br)c2cccc3c2c1CC3 ZINC000041105689 210798626 /nfs/dbraw/zinc/79/86/26/210798626.db2.gz BLDYVBLLSFSXSS-UHFFFAOYSA-N 0 0 394.334 4.312 40 0 GIABRN C[C@@H]1CCC[C@@H](n2ccc3nc4ncnn4c(-c4ccc(F)cc4)c3c2=O)[C@@H]1C ZINC000040398306 210786825 /nfs/dbraw/zinc/78/68/25/210786825.db2.gz AFQMUSZSSYRGRH-HBUWYVDXSA-N 0 0 391.450 4.243 40 0 GIABRN Cc1ccccc1C=Cc1ccnc2nc(N3CCc4ccccc43)[nH]c(=O)c12 ZINC000040388571 210784031 /nfs/dbraw/zinc/78/40/31/210784031.db2.gz XXUMMIKTLSVPPZ-ZHACJKMWSA-N 0 0 380.451 4.491 40 0 GIABRN CCc1ccc([C@@H](C)NC(=O)c2cccc(I)c2)cc1 ZINC000070134363 210693963 /nfs/dbraw/zinc/69/39/63/210693963.db2.gz QOKGPZBZWOAZNO-GFCCVEGCSA-N 0 0 379.241 4.345 40 0 GIABRN COc1cc(NC(=O)c2ccc(Cn3ccnc3C)cc2)c(OC)cc1Cl ZINC000030942777 210560620 /nfs/dbraw/zinc/56/06/20/210560620.db2.gz LIMMJJVQWIOFKJ-UHFFFAOYSA-N 0 0 385.851 4.163 40 0 GIABRN COc1ccc([C@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OC ZINC000030755215 210558051 /nfs/dbraw/zinc/55/80/51/210558051.db2.gz LBFACEONHWYYJR-AWEZNQCLSA-N 0 0 377.868 4.230 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)CCCOc2ccc(OC)cc2)cc1Cl ZINC000022523909 210417391 /nfs/dbraw/zinc/41/73/91/210417391.db2.gz DFHQOUZINBUXKD-UHFFFAOYSA-N 0 0 391.851 4.323 40 0 GIABRN CC(C)Oc1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000022531073 210416929 /nfs/dbraw/zinc/41/69/29/210416929.db2.gz ACBSWPDRODJAPZ-UHFFFAOYSA-N 0 0 388.316 4.400 40 0 GIABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000022521818 210416010 /nfs/dbraw/zinc/41/60/10/210416010.db2.gz JVGBTKXLYRUMTL-ZDUSSCGKSA-N 0 0 387.501 4.382 40 0 GIABRN COc1ccc(CCNC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1 ZINC000022410932 210412223 /nfs/dbraw/zinc/41/22/23/210412223.db2.gz KUSNTYNZCAZECU-UHFFFAOYSA-N 0 0 393.487 4.160 40 0 GIABRN COc1ccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1OC ZINC000022245333 210409776 /nfs/dbraw/zinc/40/97/76/210409776.db2.gz OTTVNQAMZOBREB-UHFFFAOYSA-N 0 0 383.473 4.489 40 0 GIABRN CCn1nc(NC(=O)c2cc(OC)cc(OC)c2)c2cc3ccc(C)cc3nc21 ZINC000021595107 210386155 /nfs/dbraw/zinc/38/61/55/210386155.db2.gz ZAKDOOYOWNFUKD-UHFFFAOYSA-N 0 0 390.443 4.182 40 0 GIABRN COc1ccc(-c2noc(CC(=O)N(Cc3ccco3)C3CCCCC3)n2)cc1 ZINC000020921571 210368675 /nfs/dbraw/zinc/36/86/75/210368675.db2.gz XIDVWHIKXWWBBA-UHFFFAOYSA-N 0 0 395.459 4.242 40 0 GIABRN CCc1nn2c(nnc(C(=O)Nc3ccc(C)cc3)c2C)c1-c1ccc(F)cc1 ZINC000020672720 210355844 /nfs/dbraw/zinc/35/58/44/210355844.db2.gz HTSHJFYRYYCLPI-UHFFFAOYSA-N 0 0 389.434 4.362 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1C(C)C ZINC000408678119 533070847 /nfs/dbraw/zinc/07/08/47/533070847.db2.gz FVCKEYUVZOHJMQ-UHFFFAOYSA-N 0 0 384.295 4.382 40 0 GIABRN O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccccc1Br ZINC000020609843 210352819 /nfs/dbraw/zinc/35/28/19/210352819.db2.gz ZIJUFHIWGGXWIA-UHFFFAOYSA-N 0 0 393.244 4.435 40 0 GIABRN CCCc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccccc4)c3)nn12 ZINC000020609683 210352324 /nfs/dbraw/zinc/35/23/24/210352324.db2.gz TXGZVYHJAKPYIA-OUKQBFOZSA-N 0 0 389.484 4.457 40 0 GIABRN CCc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 ZINC000020610422 210352187 /nfs/dbraw/zinc/35/21/87/210352187.db2.gz LWTRNOKGHUVRID-UHFFFAOYSA-N 0 0 390.418 4.140 40 0 GIABRN CC1=C(C(=O)NCCc2ccc(Cl)cc2)[C@H](c2ccccc2Cl)NO1 ZINC000020568900 210348951 /nfs/dbraw/zinc/34/89/51/210348951.db2.gz UCKYLYGDSAYGMG-SFHVURJKSA-N 0 0 377.271 4.202 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc(OC)c2)c(Cl)c1 ZINC000020492596 210342270 /nfs/dbraw/zinc/34/22/70/210342270.db2.gz CNPNAHZDJQRTRJ-GOSISDBHSA-N 0 0 391.851 4.321 40 0 GIABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020495242 210341825 /nfs/dbraw/zinc/34/18/25/210341825.db2.gz CHZOZBGHFMPZPF-OAQYLSRUSA-N 0 0 386.923 4.463 40 0 GIABRN CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020491213 210341480 /nfs/dbraw/zinc/34/14/80/210341480.db2.gz YPFLPTORXAFDNW-FQEVSTJZSA-N 0 0 386.923 4.463 40 0 GIABRN COc1ccc([C@@H](C)NC(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000020490320 210341582 /nfs/dbraw/zinc/34/15/82/210341582.db2.gz YMKXCIUCSYKIDE-LLVKDONJSA-N 0 0 398.684 4.367 40 0 GIABRN COc1ccc(CN(C)C(=O)CSCc2cccc(Cl)c2)cc1OC ZINC000020456962 210338643 /nfs/dbraw/zinc/33/86/43/210338643.db2.gz LNBXRQYWYAAAAM-UHFFFAOYSA-N 0 0 379.909 4.249 40 0 GIABRN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(SC)cc2)ccc1Cl ZINC000020460882 210338529 /nfs/dbraw/zinc/33/85/29/210338529.db2.gz VIYGYJMOWOYVSH-UHFFFAOYSA-N 0 0 385.894 4.039 40 0 GIABRN CCc1ccccc1O[C@H](C)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000020461700 210337951 /nfs/dbraw/zinc/33/79/51/210337951.db2.gz LVWDELXTKUJGIT-QGZVFWFLSA-N 0 0 386.923 4.327 40 0 GIABRN COc1ccc(OC)c(CC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000020447851 210332842 /nfs/dbraw/zinc/33/28/42/210332842.db2.gz RYQBCCDDHGUADY-UHFFFAOYSA-N 0 0 377.440 4.464 40 0 GIABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccccc1C ZINC000020151502 210319983 /nfs/dbraw/zinc/31/99/83/210319983.db2.gz MWWCHTQRIUWEJV-UHFFFAOYSA-N 0 0 380.469 4.183 40 0 GIABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2ccc(CO)o2)c(OC)c1 ZINC000020141228 210318383 /nfs/dbraw/zinc/31/83/83/210318383.db2.gz RCENBBYTDNFXOH-UHFFFAOYSA-N 0 0 387.819 4.362 40 0 GIABRN CCCOc1cccc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)c1 ZINC000020141494 210318525 /nfs/dbraw/zinc/31/85/25/210318525.db2.gz OXERVZHAXKNTJC-UHFFFAOYSA-N 0 0 381.428 4.489 40 0 GIABRN COc1ccc([C@H](C)NC(=O)CCCOc2ccc(Cl)cc2)cc1OC ZINC000020105542 210317060 /nfs/dbraw/zinc/31/70/60/210317060.db2.gz GZMMPISHQIACEN-AWEZNQCLSA-N 0 0 377.868 4.394 40 0 GIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000020109000 210317077 /nfs/dbraw/zinc/31/70/77/210317077.db2.gz JTLOIFKXUOHDCY-MRXNPFEDSA-N 0 0 377.868 4.173 40 0 GIABRN CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2Cl)cc1Cl ZINC000020105030 210315708 /nfs/dbraw/zinc/31/57/08/210315708.db2.gz YRXKZWQSBZRKJY-UHFFFAOYSA-N 0 0 388.272 4.112 40 0 GIABRN Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000020050678 210313730 /nfs/dbraw/zinc/31/37/30/210313730.db2.gz PBKYAUFTCCLQHS-UHFFFAOYSA-N 0 0 398.459 4.116 40 0 GIABRN COC(=O)c1cc2cc(NC(=O)/C=C/c3c(OC)cccc3OC)ccc2s1 ZINC000020030287 210312915 /nfs/dbraw/zinc/31/29/15/210312915.db2.gz SYSYAMAFMYRDAA-CSKARUKUSA-N 0 0 397.452 4.357 40 0 GIABRN O=C(Nc1cnn(Cc2ccccc2F)c1)c1ccc2c(c1)ncn2C1CC1 ZINC000019714326 210286431 /nfs/dbraw/zinc/28/64/31/210286431.db2.gz SYQPQDZCBFWXHT-UHFFFAOYSA-N 0 0 375.407 4.007 40 0 GIABRN Cc1cc(C(F)F)n2ncc(C(=O)N[C@H](C)CCc3ccc(Cl)cc3)c2n1 ZINC000019714881 210285450 /nfs/dbraw/zinc/28/54/50/210285450.db2.gz JOOMUEVEDZZQSK-LLVKDONJSA-N 0 0 392.837 4.380 40 0 GIABRN CCCn1ncc2ccc([C@H]3CCCN(C(=O)c4cccc5ncccc54)C3)nc21 ZINC000019742222 210291195 /nfs/dbraw/zinc/29/11/95/210291195.db2.gz VAFGEGYFIRDUFZ-SFHVURJKSA-N 0 0 399.498 4.409 40 0 GIABRN CCn1ncc(-c2cc(C(=O)Nc3ccc(C)cc3-c3cc(C)[nH]n3)on2)c1C ZINC000019719057 210289711 /nfs/dbraw/zinc/28/97/11/210289711.db2.gz IBZZVBNVJUSWEG-UHFFFAOYSA-N 0 0 390.447 4.126 40 0 GIABRN Cc1nccn1[C@H](C(=O)NCC1(c2ccccc2Cl)CC1)c1ccccc1 ZINC000019718829 210289450 /nfs/dbraw/zinc/28/94/50/210289450.db2.gz VWMBOUFKGGKPHP-FQEVSTJZSA-N 0 0 379.891 4.282 40 0 GIABRN Cc1nn(C)cc1-c1csc(NC(=O)c2cc3cc(F)ccc3nc2C)n1 ZINC000019718108 210288635 /nfs/dbraw/zinc/28/86/35/210288635.db2.gz NMCYQDZTXOVLDM-UHFFFAOYSA-N 0 0 381.436 4.100 40 0 GIABRN Cc1ccc(-c2cc(C(=O)N3CCC[C@H](c4nc5ccccc5n4C)C3)[nH]n2)cc1 ZINC000019718250 210288474 /nfs/dbraw/zinc/28/84/74/210288474.db2.gz RGBDPYFBXODJRC-SFHVURJKSA-N 0 0 399.498 4.292 40 0 GIABRN Cc1nc(-c2ccccc2F)sc1C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000019714479 210286637 /nfs/dbraw/zinc/28/66/37/210286637.db2.gz NMKADGZNLAPWPY-UHFFFAOYSA-N 0 0 393.447 4.150 40 0 GIABRN Fc1ccc(OCCc2cc([C@H]3CCCN3Cc3cccnc3)[nH]n2)cc1F ZINC000019703652 210284735 /nfs/dbraw/zinc/28/47/35/210284735.db2.gz UZUXRUQHLLJDQR-OAQYLSRUSA-N 0 0 384.430 4.042 40 0 GIABRN Cc1cccc(CN(Cc2ccccc2)C(=O)c2cn(C)c(=O)c3ccccc23)n1 ZINC000019663646 210280150 /nfs/dbraw/zinc/28/01/50/210280150.db2.gz YKJFUDRMGDNFIZ-UHFFFAOYSA-N 0 0 397.478 4.085 40 0 GIABRN CCn1cc(-c2cc(C(=O)Nc3ccccc3-c3ccc(OC)cc3)no2)cn1 ZINC000019665233 210279654 /nfs/dbraw/zinc/27/96/54/210279654.db2.gz RUUBRCMEEHBNOO-UHFFFAOYSA-N 0 0 388.427 4.486 40 0 GIABRN Cc1ccc2[nH]c(-c3cccc(NC(=O)CN(C)Cc4ccccn4)c3)nc2c1 ZINC000019655280 210277899 /nfs/dbraw/zinc/27/78/99/210277899.db2.gz XZFRSRFJZMNCHJ-UHFFFAOYSA-N 0 0 385.471 4.004 40 0 GIABRN O=C(Nc1ccc2c(c1)CN(Cc1ccccc1)C2)c1cc(-c2cccnc2)[nH]n1 ZINC000019657679 210277573 /nfs/dbraw/zinc/27/75/73/210277573.db2.gz QWZVDVGFINNUDT-UHFFFAOYSA-N 0 0 395.466 4.240 40 0 GIABRN COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc(F)c(F)c1 ZINC000019570945 210268462 /nfs/dbraw/zinc/26/84/62/210268462.db2.gz KZWYZUBUKDYQHW-IBGZPJMESA-N 0 0 397.425 4.026 40 0 GIABRN C[C@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)c1ccc(F)cc1F ZINC000019575475 210268492 /nfs/dbraw/zinc/26/84/92/210268492.db2.gz DOZQBADYTKEQBV-SNVBAGLBSA-N 0 0 383.320 4.152 40 0 GIABRN COCc1ccc(OC)c(CN2CCc3onc(Nc4cccc(F)c4)c3C2)c1 ZINC000019594359 210274644 /nfs/dbraw/zinc/27/46/44/210274644.db2.gz AYYKAKLXNBBWPC-UHFFFAOYSA-N 0 0 397.450 4.271 40 0 GIABRN COc1ccc([C@@H]2CC(=O)c3nnc4c(-c5ccccc5)c(C)nn4c3C2)cc1 ZINC000014164733 533139840 /nfs/dbraw/zinc/13/98/40/533139840.db2.gz SLSJOJCRSCWOPC-KRWDZBQOSA-N 0 0 384.439 4.021 40 0 GIABRN COc1ccc(-c2ccc(OC(=O)c3cccc(Br)c3)nn2)cc1 ZINC000408530932 533181447 /nfs/dbraw/zinc/18/14/47/533181447.db2.gz SOBDLOPGWABBOV-UHFFFAOYSA-N 0 0 385.217 4.134 40 0 GIABRN Cc1ccc(-c2cc(C(=O)N3CCC(c4onc5c4C[C@@H](C)CC5)CC3)[nH]n2)o1 ZINC000012119883 221153092 /nfs/dbraw/zinc/15/30/92/221153092.db2.gz FDABGIRBARZSLZ-ZDUSSCGKSA-N 0 0 394.475 4.111 40 0 GIABRN Cn1ccc([C@H]2CCCCCN2C(=O)c2cc(-c3cccc(Cl)c3)on2)n1 ZINC000012119541 221153205 /nfs/dbraw/zinc/15/32/05/221153205.db2.gz RTYQOYUIFRZLAD-GOSISDBHSA-N 0 0 384.867 4.486 40 0 GIABRN Cc1sc2nc([C@@H]3CCCN(C(=O)Cc4cccc(F)c4)C3)[nH]c(=O)c2c1C ZINC000012129177 221156404 /nfs/dbraw/zinc/15/64/04/221156404.db2.gz BSDFWEHXZXXINR-OAHLLOKOSA-N 0 0 399.491 4.102 40 0 GIABRN Cc1ncsc1C(=O)N1C[C@@H](c2ccccc2)[C@H](c2cc(C(F)F)n[nH]2)C1 ZINC000012129230 221156701 /nfs/dbraw/zinc/15/67/01/221156701.db2.gz IRZRJHKXHNYLMV-UONOGXRCSA-N 0 0 388.443 4.136 40 0 GIABRN COc1ccccc1CNc1ncc(-c2cnccn2)c(-c2cccs2)n1 ZINC000012184724 221163804 /nfs/dbraw/zinc/16/38/04/221163804.db2.gz IGRYZRKGJRTRRC-UHFFFAOYSA-N 0 0 375.457 4.283 40 0 GIABRN CC[C@H](NC(=O)c1ccccc1I)c1ccc(C)cc1 ZINC000014602595 221312114 /nfs/dbraw/zinc/31/21/14/221312114.db2.gz RIIGVVWBGJEHHO-INIZCTEOSA-N 0 0 379.241 4.481 40 0 GIABRN COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2cccc(Cl)c2C)CC1=O ZINC000014495072 221310704 /nfs/dbraw/zinc/31/07/04/221310704.db2.gz BIVYHURYGXCVNS-GFCCVEGCSA-N 0 0 393.270 4.302 40 0 GIABRN Cc1nn2c(nnc3c2C[C@H](c2cccs2)CC3=O)c1-c1ccc(F)cc1 ZINC000014607732 221313386 /nfs/dbraw/zinc/31/33/86/221313386.db2.gz YDWLNAMUSSRKIT-ZDUSSCGKSA-N 0 0 378.432 4.213 40 0 GIABRN COc1ccc(-c2c(C)nn3c2nnc2c3C[C@H](c3cccs3)CC2=O)cc1 ZINC000014607734 221313602 /nfs/dbraw/zinc/31/36/02/221313602.db2.gz PKYRHZJPYVPSAI-AWEZNQCLSA-N 0 0 390.468 4.083 40 0 GIABRN COc1ccc(Br)cc1C(=O)OCC(=O)c1ccc(Cl)cc1 ZINC000408587682 533264442 /nfs/dbraw/zinc/26/44/42/533264442.db2.gz SZYJPTZRMJWYRR-UHFFFAOYSA-N 0 0 383.625 4.151 40 0 GIABRN COc1ccc(C(=O)CCC(=O)Nc2ccc(Br)cc2)c(OC)c1 ZINC000408827867 533277807 /nfs/dbraw/zinc/27/78/07/533277807.db2.gz MWVKIBPRXCKEJD-UHFFFAOYSA-N 0 0 392.249 4.068 40 0 GIABRN COc1ccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@@]2(O)C(F)(F)F)cc1 ZINC000409088272 533317554 /nfs/dbraw/zinc/31/75/54/533317554.db2.gz KRDYZVLHEBXHJL-ZBQZNYHESA-N 0 0 398.425 4.220 40 0 GIABRN COCCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000408562983 533290821 /nfs/dbraw/zinc/29/08/21/533290821.db2.gz HGANQQSJEZXRFG-NTCAYCPXSA-N 0 0 394.515 4.402 40 0 GIABRN COc1ccc2nc(NC(=O)c3c(F)c(F)c(OC)c(F)c3F)sc2c1 ZINC000408623952 533352291 /nfs/dbraw/zinc/35/22/91/533352291.db2.gz VQUZLESIXIXTSD-UHFFFAOYSA-N 0 0 386.326 4.122 40 0 GIABRN COc1cc(-c2nc3ccccc3s2)cc(I)c1O ZINC000409190492 533456132 /nfs/dbraw/zinc/45/61/32/533456132.db2.gz OOZCBQPABKOZPD-UHFFFAOYSA-N 0 0 383.210 4.282 40 0 GIABRN COc1cccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@]2(O)C(F)(F)F)c1 ZINC000409108615 533405275 /nfs/dbraw/zinc/40/52/75/533405275.db2.gz XFDJDAHFVRUBCT-RFUYNDQBSA-N 0 0 398.425 4.220 40 0 GIABRN COc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2CC(C)C)c1 ZINC000409107884 533606149 /nfs/dbraw/zinc/60/61/49/533606149.db2.gz XODWQROALRQWCS-UHFFFAOYSA-N 0 0 396.516 4.341 40 0 GIABRN Cc1cc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)ccc1Cl ZINC000069593455 136165197 /nfs/dbraw/zinc/16/51/97/136165197.db2.gz ZDWPCJIRGRFCRM-UHFFFAOYSA-N 0 0 378.303 4.063 40 0 GIABRN O[C@@H](c1cccnc1)c1ccccc1N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000072340652 136168572 /nfs/dbraw/zinc/16/85/72/136168572.db2.gz BILGVLCIATWDIF-QHCPKHFHSA-N 0 0 393.918 4.139 40 0 GIABRN CC[C@@H]1Oc2ccc([C@@H](O)c3ccco3)cc2N(Cc2cccc(OC)c2)C1=O ZINC000072343094 136168711 /nfs/dbraw/zinc/16/87/11/136168711.db2.gz SXSFKXBRNPBPNR-SIKLNZKXSA-N 0 0 393.439 4.074 40 0 GIABRN O=C(CSCc1c(F)cccc1Cl)Nc1ccc(N2CCOCC2)cc1 ZINC000102937449 136190656 /nfs/dbraw/zinc/19/06/56/136190656.db2.gz CLAOJVUEERWFEZ-UHFFFAOYSA-N 0 0 394.899 4.188 40 0 GIABRN COc1cc2c(cc1OC)CN(c1cc(Nc3ccccc3)nc(C)n1)CC2 ZINC000244537531 136192507 /nfs/dbraw/zinc/19/25/07/136192507.db2.gz ZWRQJSIQFACEPW-UHFFFAOYSA-N 0 0 376.460 4.109 40 0 GIABRN CC[C@H](NC(=O)C1CCN(c2ccc(C)cc2)CC1)c1ccc(OC)c(OC)c1 ZINC000219865674 136204402 /nfs/dbraw/zinc/20/44/02/136204402.db2.gz MYAZIKNHMBUPKD-NRFANRHFSA-N 0 0 396.531 4.496 40 0 GIABRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)c1 ZINC000409316891 533680968 /nfs/dbraw/zinc/68/09/68/533680968.db2.gz RLQJSDUFEOGLOG-LICLKQGHSA-N 0 0 384.432 4.118 40 0 GIABRN CC(C)C(=O)N1CCc2cc(-c3csc(NC(=O)c4cccnc4)n3)ccc21 ZINC000035313292 221817819 /nfs/dbraw/zinc/81/78/19/221817819.db2.gz DWBVNMIPBKZSMC-UHFFFAOYSA-N 0 0 392.484 4.003 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=O)Cc2cccc(Br)c2)c1 ZINC000072068576 222204443 /nfs/dbraw/zinc/20/44/43/222204443.db2.gz AAUDVFCFNROSPS-UHFFFAOYSA-N 0 0 382.641 4.070 40 0 GIABRN CCN(CC)[C@H]1Oc2cc3c(cc2[C@@H](c2cccc(OC)c2OC)[C@H]1C)OCO3 ZINC000073296400 222269852 /nfs/dbraw/zinc/26/98/52/222269852.db2.gz XFZQJONSCZRGGL-NZCIYTFRSA-N 0 0 399.487 4.261 40 0 GIABRN COc1cc(Cl)c(/C=C2\SC(Nc3ccccc3F)NC2=O)cc1OC ZINC000408810789 533925400 /nfs/dbraw/zinc/92/54/00/533925400.db2.gz MVJLTBFGPHTBDL-UHFFFAOYSA-N 0 0 393.847 4.259 40 0 GIABRN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000408624177 533986988 /nfs/dbraw/zinc/98/69/88/533986988.db2.gz FWRFTSDOVPUKKN-UHFFFAOYSA-N 0 0 383.469 4.099 40 0 GIABRN COC(=O)c1ccc(C)c(-c2ccc(/C=C3/SC(=O)N(C(C)C)C3=O)o2)c1 ZINC000409019235 534050450 /nfs/dbraw/zinc/05/04/50/534050450.db2.gz ZPBSIKCMUVUCBF-LICLKQGHSA-N 0 0 385.441 4.486 40 0 GIABRN Cc1cc(C)cc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)c2)c1 ZINC000408673585 534082151 /nfs/dbraw/zinc/08/21/51/534082151.db2.gz TYJRZTUVUXLGDJ-ZLGUVYLKSA-N 0 0 388.467 4.257 40 0 GIABRN COc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)Oc1ccccc1 ZINC000408736312 534180582 /nfs/dbraw/zinc/18/05/82/534180582.db2.gz ALBXLQZNFYDLTA-HXUWFJFHSA-N 0 0 390.439 4.034 40 0 GIABRN Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC(C)=CC[C@@H]4C3=O)cc2)c(C)c1 ZINC000408686069 534190497 /nfs/dbraw/zinc/19/04/97/534190497.db2.gz RXLMAFPMKDSTJZ-VQTJNVASSA-N 0 0 388.467 4.401 40 0 GIABRN COc1ccc(OC)c(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)c1 ZINC000408802362 534223942 /nfs/dbraw/zinc/22/39/42/534223942.db2.gz DNCVUWWKZHGIPV-UHFFFAOYSA-N 0 0 389.884 4.429 40 0 GIABRN Cc1nc(Cl)cc(Nc2ccc(I)cc2Cl)n1 ZINC000232153052 534427047 /nfs/dbraw/zinc/42/70/47/534427047.db2.gz SQWOQLWVWMLQJB-UHFFFAOYSA-N 0 0 380.016 4.440 40 0 GIABRN Ic1cc2sc(I)cc2s1 ZINC000100257964 534540028 /nfs/dbraw/zinc/54/00/28/534540028.db2.gz FGVZUZZFMFYLOB-UHFFFAOYSA-N 0 0 392.024 4.172 40 0 GIABRN O=C(Sc1nnc(-c2ccccc2)o1)c1cc(Br)ccc1O ZINC000408531901 534570463 /nfs/dbraw/zinc/57/04/63/534570463.db2.gz PBJKFQWYPBSNMR-UHFFFAOYSA-N 0 0 377.219 4.137 40 0 GIABRN Cc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c1 ZINC000409233222 534575045 /nfs/dbraw/zinc/57/50/45/534575045.db2.gz DRGKYZPDLCGKAG-MHWRWJLKSA-N 0 0 386.860 4.323 40 0 GIABRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000408584837 534825727 /nfs/dbraw/zinc/82/57/27/534825727.db2.gz VTDJAMNXRRPFCQ-UHFFFAOYSA-N 0 0 387.505 4.204 40 0 GIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NC(=O)c2cccnc2C)cc1OC ZINC000019582968 525434291 /nfs/dbraw/zinc/43/42/91/525434291.db2.gz PLDQHPZOMUYTMV-KSCDAYEDSA-N 0 0 380.488 4.109 40 0 GIABRN O=C(NC[C@H]1CC[C@H](c2n[nH]cc2-c2ccncc2)CC1)c1cccc(F)c1 ZINC000100744856 526619661 /nfs/dbraw/zinc/61/96/61/526619661.db2.gz JPCZTDNYDPGAQP-WOVMCDHWSA-N 0 0 378.451 4.315 40 0 GIABRN CC(=O)Nc1ccccc1SCC(=O)Nc1ccc(Br)cc1F ZINC000409178959 527094575 /nfs/dbraw/zinc/09/45/75/527094575.db2.gz LHMPOKRJKPXMKZ-UHFFFAOYSA-N 0 0 397.269 4.277 40 0 GIABRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(C)c(C)c2)C1=O ZINC000409014745 527957930 /nfs/dbraw/zinc/95/79/30/527957930.db2.gz YISRAEUMTVTQJH-BRFSQIRFSA-N 0 0 398.484 4.082 40 0 GIABRN CC(C)COC(=O)c1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1 ZINC000408730587 528077416 /nfs/dbraw/zinc/07/74/16/528077416.db2.gz IHOLXGSYJJFLQI-ZDLGFXPLSA-N 0 0 383.831 4.497 40 0 GIABRN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)NC(=S)N1 ZINC000408607495 528082654 /nfs/dbraw/zinc/08/26/54/528082654.db2.gz SPOGHTBJIJCUKA-QGZVFWFLSA-N 0 0 390.892 4.344 40 0 GIABRN CCCCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)COc2ccc(F)cc2)N1 ZINC000409352414 528117611 /nfs/dbraw/zinc/11/76/11/528117611.db2.gz ZWOJHQPSDPQJHX-KRWDZBQOSA-N 0 0 390.377 4.014 40 0 GIABRN CC(C)Oc1ccc(N2C[C@@H](C(=O)NCc3ccc(C(C)C)cc3)CC2=O)cc1 ZINC000408706926 528175486 /nfs/dbraw/zinc/17/54/86/528175486.db2.gz FEVWOANHMRLNSJ-FQEVSTJZSA-N 0 0 394.515 4.267 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@H](C)n2cc(C(C)=O)c3ccccc32)cc1 ZINC000409200300 528236061 /nfs/dbraw/zinc/23/60/61/528236061.db2.gz RGAHWDVWWXOZSW-AWEZNQCLSA-N 0 0 378.428 4.220 40 0 GIABRN CCCCN1C(=O)S/C(=C\c2cc3c(cc2Br)OCO3)C1=O ZINC000409059942 528451232 /nfs/dbraw/zinc/45/12/32/528451232.db2.gz SRDRUSQAXSDACI-MLPAPPSSSA-N 0 0 384.251 4.014 40 0 GIABRN CCCCOC(=O)CN1C(=O)S/C(=C/c2c(Cl)cccc2Cl)C1=O ZINC000409203933 528560616 /nfs/dbraw/zinc/56/06/16/528560616.db2.gz ZGOUXCFXBXQIRR-MDWZMJQESA-N 0 0 388.272 4.373 40 0 GIABRN CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 ZINC000408673412 528607731 /nfs/dbraw/zinc/60/77/31/528607731.db2.gz WVKUKSQJGIUUFI-INIZCTEOSA-N 0 0 381.472 4.341 40 0 GIABRN CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 ZINC000408662164 528608470 /nfs/dbraw/zinc/60/84/70/528608470.db2.gz MRTYFYBJOQYFSC-MRXNPFEDSA-N 0 0 381.472 4.341 40 0 GIABRN CCOc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)c1 ZINC000409344325 528627118 /nfs/dbraw/zinc/62/71/18/528627118.db2.gz IYHFHPDFONZHIO-PDGQHHTCSA-N 0 0 396.468 4.069 40 0 GIABRN CCOC(=O)C1CCN(C(=O)c2ccc(CSc3ccccc3)cc2)CC1 ZINC000120111534 528640321 /nfs/dbraw/zinc/64/03/21/528640321.db2.gz ZHEUDRCLTOIIIB-UHFFFAOYSA-N 0 0 383.513 4.394 40 0 GIABRN CC(C)Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1 ZINC000409098703 528695920 /nfs/dbraw/zinc/69/59/20/528695920.db2.gz OUHHKHWLKZAKAJ-UHFFFAOYSA-N 0 0 384.480 4.471 40 0 GIABRN CCCOc1cccc(C(=O)Nc2ccc(I)cc2F)c1 ZINC000408624637 528735619 /nfs/dbraw/zinc/73/56/19/528735619.db2.gz YLYRNGXTADVILZ-UHFFFAOYSA-N 0 0 399.203 4.471 40 0 GIABRN CCCc1sc(NC(=O)c2ccncc2)nc1-c1cc(OC)ccc1OC ZINC000408825807 528807053 /nfs/dbraw/zinc/80/70/53/528807053.db2.gz JMHPIBBXYJRGSY-UHFFFAOYSA-N 0 0 383.473 4.427 40 0 GIABRN CCOC(=O)Cn1cc(/C=C2\Sc3ccccc3NC2=O)c2ccccc21 ZINC000409097026 528919905 /nfs/dbraw/zinc/91/99/05/528919905.db2.gz LJRUJSSRHSLART-ODLFYWEKSA-N 0 0 378.453 4.290 40 0 GIABRN CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000409238295 528952094 /nfs/dbraw/zinc/95/20/94/528952094.db2.gz WRYIWLSFWXUQHW-RQZCQDPDSA-N 0 0 391.254 4.485 40 0 GIABRN CC(C)N1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)C1=O ZINC000409024692 528980962 /nfs/dbraw/zinc/98/09/62/528980962.db2.gz ULSBIKCFTVEIDM-LDADJPATSA-N 0 0 396.468 4.149 40 0 GIABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1OCC ZINC000408588617 529107425 /nfs/dbraw/zinc/10/74/25/529107425.db2.gz XJRFNHFFQRRCKV-UHFFFAOYSA-N 0 0 398.868 4.108 40 0 GIABRN CCc1cccc(C)c1NC(=O)CN(c1cccc2ccccc21)S(C)(=O)=O ZINC000409138147 529155421 /nfs/dbraw/zinc/15/54/21/529155421.db2.gz YHZNBWHJRHXWBX-UHFFFAOYSA-N 0 0 396.512 4.115 40 0 GIABRN CC[C@H](C)Oc1cccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)c1 ZINC000020528838 529196015 /nfs/dbraw/zinc/19/60/15/529196015.db2.gz QHBDJQYTTJQQKR-ZDUSSCGKSA-N 0 0 393.472 4.282 40 0 GIABRN CCCOCc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1OC ZINC000224420304 535235352 /nfs/dbraw/zinc/23/53/52/535235352.db2.gz LAUGDNCMQHOILF-UHFFFAOYSA-N 0 0 396.531 4.201 40 0 GIABRN Cc1ccc2[nH]c(C[C@H]3C[N@H+](Cc4cccc(F)c4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514289012 560033463 /nfs/dbraw/zinc/03/34/63/560033463.db2.gz MBJFXMFFESAWGJ-ROUUACIJSA-N 0 0 395.478 4.166 40 0 biogenic,in-vitro GIABRN Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccccc2)C1 ZINC000008297932 560208262 /nfs/dbraw/zinc/20/82/62/560208262.db2.gz PCRSMLFAFHFXEL-AZUAARDMSA-N 0 0 384.479 4.083 40 0 biogenic,in-vitro GIABRN CCNc1nc(Nc2ccc(OC)c(C(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000328984911 570210710 /nfs/dbraw/zinc/21/07/10/570210710.db2.gz HQMNTKZLCRKRDB-UHFFFAOYSA-N 0 0 388.393 4.190 40 0 GIABRN Cc1ccc(CNC(=O)c2cc(-c3cnc(-c4cccc(F)c4)nc3)cn2C)o1 ZINC000096147659 570214077 /nfs/dbraw/zinc/21/40/77/570214077.db2.gz XXNWQDXNQUKEPX-UHFFFAOYSA-N 0 0 390.418 4.120 40 0 GIABRN Cc1ccc(Nc2cc(-c3ccncc3)nc(N[C@H](CO)C(C)C)n2)cc1Cl ZINC000329068340 570216434 /nfs/dbraw/zinc/21/64/34/570216434.db2.gz YPTZOJSKUXNOJF-LJQANCHMSA-N 0 0 397.910 4.095 40 0 GIABRN CC(=O)NCc1ccc([C@H]2CCCN2C(=O)c2ccccc2-c2ccccc2)nc1 ZINC000585261866 570228964 /nfs/dbraw/zinc/22/89/64/570228964.db2.gz YXPKSVYSHLADMW-XMMPIXPASA-N 0 0 399.494 4.362 40 0 GIABRN CC[C@](Br)([C@@H](O)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC ZINC000096521627 570233750 /nfs/dbraw/zinc/23/37/50/570233750.db2.gz HDRXAEGQRPGRFR-ZWKOTPCHSA-N 0 0 397.334 4.323 40 0 GIABRN CC(C)Oc1ccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)cc1 ZINC000001266108 570260115 /nfs/dbraw/zinc/26/01/15/570260115.db2.gz LXSIRPBRCQBLMC-UHFFFAOYSA-N 0 0 389.477 4.349 40 0 GIABRN O=C(/C=C/c1cccnc1)N1CCC[C@@H](c2csc(Nc3ccccn3)n2)C1 ZINC000585291577 570260421 /nfs/dbraw/zinc/26/04/21/570260421.db2.gz AIIIYSCNMJBZOM-KBOKABMXSA-N 0 0 391.500 4.096 40 0 GIABRN Cc1nc(/C=C/C(=O)N2CCC[C@@H]2c2csc(Nc3ccccn3)n2)cs1 ZINC000585292008 570261145 /nfs/dbraw/zinc/26/11/45/570261145.db2.gz WRALUNCBCQRVLG-KXPUMZMLSA-N 0 0 397.529 4.424 40 0 GIABRN Cc1cccc(Nc2cc([C@H]3CCCN(C(=O)/C=C/c4cccnc4)C3)ccn2)n1 ZINC000585292358 570261537 /nfs/dbraw/zinc/26/15/37/570261537.db2.gz HYYWQRHFEJYUOH-GLCJEOIMSA-N 0 0 399.498 4.343 40 0 GIABRN COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C)c3C)o2)cc1 ZINC000005788730 570273809 /nfs/dbraw/zinc/27/38/09/570273809.db2.gz RTMNUJQENREIGK-UHFFFAOYSA-N 0 0 383.473 4.017 40 0 GIABRN CCc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3cn(C)cn3)cs2)cc1 ZINC000585294895 570274668 /nfs/dbraw/zinc/27/46/68/570274668.db2.gz LFGJFIAJLJCOBL-LJQANCHMSA-N 0 0 395.532 4.028 40 0 GIABRN O=c1c2ccccc2n2c(-c3ccc(F)cc3)nnc2n1Cc1ccc(F)cc1 ZINC000006781196 570283986 /nfs/dbraw/zinc/28/39/86/570283986.db2.gz IHMCEBNDAJZPIM-UHFFFAOYSA-N 0 0 388.377 4.038 40 0 GIABRN CCCCc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 ZINC000216282819 570298305 /nfs/dbraw/zinc/29/83/05/570298305.db2.gz VGPIDZBSLQQDQX-UHFFFAOYSA-N 0 0 380.897 4.306 40 0 GIABRN CCOc1ccc([C@@H](C)NC(=O)COc2ccc(Br)c(C)c2)cc1 ZINC000216293201 570298644 /nfs/dbraw/zinc/29/86/44/570298644.db2.gz PVFHGMXDDUCGTN-CQSZACIVSA-N 0 0 392.293 4.412 40 0 GIABRN COc1ccc(OC)c([C@@H](C)NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 ZINC000104917249 570303781 /nfs/dbraw/zinc/30/37/81/570303781.db2.gz AQEAKEGPMJEJAN-CYBMUJFWSA-N 0 0 377.868 4.392 40 0 GIABRN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc2c(c1)OCCO2 ZINC000105437485 570305093 /nfs/dbraw/zinc/30/50/93/570305093.db2.gz FHBSWJFAXNDOHC-UHFFFAOYSA-N 0 0 384.819 4.338 40 0 GIABRN CCCCCC(=O)NC(=S)Nc1ccc2nc(NC(=O)CC)sc2c1 ZINC000021595846 570307395 /nfs/dbraw/zinc/30/73/95/570307395.db2.gz CUWOYVHLEXNGNA-UHFFFAOYSA-N 0 0 378.523 4.038 40 0 GIABRN COc1ccc(CCNC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1 ZINC000022237653 570309529 /nfs/dbraw/zinc/30/95/29/570309529.db2.gz FMIWWALJIZXYBC-UHFFFAOYSA-N 0 0 381.501 4.201 40 0 GIABRN NC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000022258168 570311251 /nfs/dbraw/zinc/31/12/51/570311251.db2.gz LJDOFRCFUNJLCK-UHFFFAOYSA-N 0 0 380.831 4.270 40 0 GIABRN CC(C)Nc1ccncc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000072210687 570313691 /nfs/dbraw/zinc/31/36/91/570313691.db2.gz HVYPCUMZAYKHMS-UHFFFAOYSA-N 0 0 395.528 4.293 40 0 GIABRN CCN(CC)c1ncccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072212935 570314261 /nfs/dbraw/zinc/31/42/61/570314261.db2.gz PTWCOXIZRVEFJG-HXUWFJFHSA-N 0 0 387.549 4.152 40 0 GIABRN Cc1cc(C)c(N(CC(=O)Nc2cccc3ccccc32)S(C)(=O)=O)c(C)c1 ZINC000022380660 570314955 /nfs/dbraw/zinc/31/49/55/570314955.db2.gz RPQKILLDMVYESE-UHFFFAOYSA-N 0 0 396.512 4.170 40 0 GIABRN COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000022521543 570319901 /nfs/dbraw/zinc/31/99/01/570319901.db2.gz MUHFTZGRAITCIY-UHFFFAOYSA-N 0 0 397.452 4.375 40 0 GIABRN CCOC(=O)c1cc(-c2csc(N)n2)ccc1OCc1ccc(OC)cc1 ZINC000085397579 570320483 /nfs/dbraw/zinc/32/04/83/570320483.db2.gz MEHUQUQEWCRDDL-UHFFFAOYSA-N 0 0 384.457 4.157 40 0 GIABRN COc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 ZINC000022527316 570320574 /nfs/dbraw/zinc/32/05/74/570320574.db2.gz UJJUKVYJICDEPS-UONOGXRCSA-N 0 0 375.490 4.070 40 0 GIABRN CCc1ccc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1 ZINC000113961278 570336813 /nfs/dbraw/zinc/33/68/13/570336813.db2.gz VFOADQNWWCLZDL-UHFFFAOYSA-N 0 0 388.533 4.051 40 0 GIABRN Cc1ccc(NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)c(C)c1 ZINC000113967091 570337980 /nfs/dbraw/zinc/33/79/80/570337980.db2.gz XIUOXEYKFYCIST-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN CCc1ccccc1NC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000113967542 570338476 /nfs/dbraw/zinc/33/84/76/570338476.db2.gz LKZLSPCARNRWOQ-UHFFFAOYSA-N 0 0 388.533 4.051 40 0 GIABRN N#C/C(=C\c1cc(Br)ccc1O)C(=O)Nc1cccc(Cl)c1 ZINC000005816407 570345131 /nfs/dbraw/zinc/34/51/31/570345131.db2.gz JVZQUUXNPVGIGA-IZZDOVSWSA-N 0 0 377.625 4.354 40 0 GIABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000219034459 570346169 /nfs/dbraw/zinc/34/61/69/570346169.db2.gz JGPWKIKFJDSAPA-MRXNPFEDSA-N 0 0 387.439 4.316 40 0 GIABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000219035856 570346504 /nfs/dbraw/zinc/34/65/04/570346504.db2.gz YSJXIVBUAPNWFE-CQSZACIVSA-N 0 0 393.468 4.377 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1cc(C)ccc1C ZINC000219073092 570347206 /nfs/dbraw/zinc/34/72/06/570347206.db2.gz UECWTGIRYVPSPW-VQIMIIECSA-N 0 0 383.488 4.498 40 0 GIABRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000003598489 570348549 /nfs/dbraw/zinc/34/85/49/570348549.db2.gz HQMAAXNLCYEHNU-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN Cc1ccccc1N1Oc2c(O)n(-c3ccccc3)c(O)c2[C@H]1c1cccs1 ZINC000004070855 570356586 /nfs/dbraw/zinc/35/65/86/570356586.db2.gz UQSLDWANSFMYCX-VAMGGRTRSA-N 0 0 390.464 4.108 40 0 GIABRN O=C(CCCN1C(=O)c2cccc3cccc1c23)NCCSCc1ccco1 ZINC000219458696 570362507 /nfs/dbraw/zinc/36/25/07/570362507.db2.gz QPUSEDDOUPXWAS-UHFFFAOYSA-N 0 0 394.496 4.223 40 0 GIABRN CCC[C@H](c1nnnn1C1CCCC1)N1CCN(c2cc(C)ccc2C)CC1 ZINC000057669571 570367025 /nfs/dbraw/zinc/36/70/25/570367025.db2.gz IBTLVBIOBGJORW-HXUWFJFHSA-N 0 0 382.556 4.068 40 0 GIABRN CCCC(=O)Nc1ccc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1 ZINC000408619884 570368211 /nfs/dbraw/zinc/36/82/11/570368211.db2.gz CYHCVBJQQKTBLE-UHFFFAOYSA-N 0 0 384.329 4.243 40 0 GIABRN CC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118925019 570368382 /nfs/dbraw/zinc/36/83/82/570368382.db2.gz DCPCOYRRYCABSA-XCMMUJMZSA-N 0 0 376.537 4.283 40 0 GIABRN CC[C@H](Oc1ccccc1OC)C(=O)NCCCc1cccc(OC(C)C)c1 ZINC000219561023 570368409 /nfs/dbraw/zinc/36/84/09/570368409.db2.gz CMSJFZDNQYZXNZ-FQEVSTJZSA-N 0 0 385.504 4.389 40 0 GIABRN CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219566079 570369181 /nfs/dbraw/zinc/36/91/81/570369181.db2.gz SOBTWZPPKDJCLB-MSOLQXFVSA-N 0 0 399.487 4.280 40 0 GIABRN COc1ccccc1NC(=O)N1CCC[C@H](C(=O)Nc2cccc(C)c2C)C1 ZINC000004354591 570370309 /nfs/dbraw/zinc/37/03/09/570370309.db2.gz LMAQDESVPXCBAL-KRWDZBQOSA-N 0 0 381.476 4.195 40 0 GIABRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1 ZINC000408625852 570377383 /nfs/dbraw/zinc/37/73/83/570377383.db2.gz ZJHSOTZNUUTAOA-UHFFFAOYSA-N 0 0 398.919 4.398 40 0 GIABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(Br)cc1F ZINC000408625880 570377437 /nfs/dbraw/zinc/37/74/37/570377437.db2.gz FWUCOWZZADPRTD-UHFFFAOYSA-N 0 0 397.269 4.032 40 0 GIABRN COc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)c2ccccc2F)cc1 ZINC000408626098 570377462 /nfs/dbraw/zinc/37/74/62/570377462.db2.gz LUIBLPWMDBRHIP-UHFFFAOYSA-N 0 0 389.423 4.369 40 0 GIABRN COc1ccc(/C=C/C(=O)NC(=S)Nc2nc3c(cc(C)cc3C)s2)cc1 ZINC000408626880 570379069 /nfs/dbraw/zinc/37/90/69/570379069.db2.gz JCLWJTFMFTVYJO-RMKNXTFCSA-N 0 0 397.525 4.448 40 0 GIABRN Brc1ccc(Oc2ccc(I)cn2)cc1 ZINC000685937097 570380988 /nfs/dbraw/zinc/38/09/88/570380988.db2.gz AMDMNEBXOQZXIE-UHFFFAOYSA-N 0 0 375.991 4.241 40 0 GIABRN CCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2Cl)CC1 ZINC000408629238 570382132 /nfs/dbraw/zinc/38/21/32/570382132.db2.gz RGHDTUWCYMCAJO-DHZHZOJOSA-N 0 0 397.906 4.051 40 0 GIABRN Cc1ccc(NC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1C ZINC000220351984 570385530 /nfs/dbraw/zinc/38/55/30/570385530.db2.gz QHTYLPZLGKQQEY-HNNXBMFYSA-N 0 0 394.924 4.058 40 0 GIABRN O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CCCCCCC1)c1ccccc1 ZINC000023075928 570385812 /nfs/dbraw/zinc/38/58/12/570385812.db2.gz STVXYYKOSJUREH-QFIPXVFZSA-N 0 0 378.516 4.257 40 0 GIABRN CC[C@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220507793 570387448 /nfs/dbraw/zinc/38/74/48/570387448.db2.gz TWLIPUIITVSLNA-LJQANCHMSA-N 0 0 388.533 4.104 40 0 GIABRN CC[C@@H](C(=O)Nc1cc(C)cc(C)c1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220529523 570388194 /nfs/dbraw/zinc/38/81/94/570388194.db2.gz YKEJAGAEXRXYJB-IBGZPJMESA-N 0 0 388.533 4.104 40 0 GIABRN CCOC(=O)c1cnc(SCc2ccc(Cl)c(Cl)c2)nc1N1C[C@H]1C ZINC000004742266 570401497 /nfs/dbraw/zinc/40/14/97/570401497.db2.gz GXAQTHYNNMZNRI-FASBAMGMSA-N 0 0 398.315 4.461 40 0 GIABRN Cc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000121299910 570405532 /nfs/dbraw/zinc/40/55/32/570405532.db2.gz RAQPBELYLGQLEI-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN O=C([C@@H]1COc2ccccc2O1)N(Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000032594225 570408813 /nfs/dbraw/zinc/40/88/13/570408813.db2.gz PZSGNULHXFBAEV-FQEVSTJZSA-N 0 0 383.831 4.302 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222396701 570409606 /nfs/dbraw/zinc/40/96/06/570409606.db2.gz KDJFWAAJMYJCFY-CQSZACIVSA-N 0 0 393.314 4.008 40 0 GIABRN CN(c1cccc(C(=O)NCCC2=CCCCC2)c1)S(=O)(=O)c1ccccc1 ZINC000222531637 570413735 /nfs/dbraw/zinc/41/37/35/570413735.db2.gz QKKRSJRIHPIQDC-UHFFFAOYSA-N 0 0 398.528 4.132 40 0 GIABRN Cc1ccccc1NC(=O)CCNC(=O)c1ccc2c(c1)nc(Cl)n2C(C)C ZINC000222552222 570414308 /nfs/dbraw/zinc/41/43/08/570414308.db2.gz IHDUWJUQZYLQSA-UHFFFAOYSA-N 0 0 398.894 4.338 40 0 GIABRN COc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1OC(C)C ZINC000222572605 570415145 /nfs/dbraw/zinc/41/51/45/570415145.db2.gz BHGHHGMZLLCPLQ-KPOBHBOGSA-N 0 0 383.517 4.467 40 0 GIABRN Cc1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)n1-c1cccnc1 ZINC000222601453 570416302 /nfs/dbraw/zinc/41/63/02/570416302.db2.gz HFRFIJNDMMCRIB-BEVDRBHNSA-N 0 0 375.501 4.165 40 0 GIABRN COc1ccc([C@@H](CC(C)C)NC(=O)CCc2ccc3c(c2)OCCO3)cc1 ZINC000222643707 570418070 /nfs/dbraw/zinc/41/80/70/570418070.db2.gz HFTUOMIYIWWQLP-HXUWFJFHSA-N 0 0 383.488 4.303 40 0 GIABRN CCc1ccc(OCC(=O)N[C@H](C)c2ccccc2OC)c(Br)c1 ZINC000222645196 570418405 /nfs/dbraw/zinc/41/84/05/570418405.db2.gz NKHACKFSNVLMDL-CYBMUJFWSA-N 0 0 392.293 4.276 40 0 GIABRN O=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000222650194 570418735 /nfs/dbraw/zinc/41/87/35/570418735.db2.gz LGSCHVKOOHLOJS-UHFFFAOYSA-N 0 0 394.471 4.003 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(OC)cc3C)N21 ZINC000222648884 570418793 /nfs/dbraw/zinc/41/87/93/570418793.db2.gz JRSDBXNZBZJNKR-JSNMRZPZSA-N 0 0 383.517 4.387 40 0 GIABRN Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222658618 570419403 /nfs/dbraw/zinc/41/94/03/570419403.db2.gz WGGYXTDBKAELFX-IBGZPJMESA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cccnc3)N21 ZINC000222671002 570419992 /nfs/dbraw/zinc/41/99/92/570419992.db2.gz FVAZVMPPMJHMDD-CWFSZBLJSA-N 0 0 375.501 4.247 40 0 GIABRN O=C(NCCc1ccccc1F)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000004967891 570420387 /nfs/dbraw/zinc/42/03/87/570420387.db2.gz YKAJALSQYDFSQG-MRXNPFEDSA-N 0 0 383.492 4.011 40 0 GIABRN COc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)c1 ZINC000222688519 570420701 /nfs/dbraw/zinc/42/07/01/570420701.db2.gz YYGHMYHOJIYQAR-ZHZULCJRSA-N 0 0 392.480 4.475 40 0 GIABRN Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 ZINC000025403639 570420796 /nfs/dbraw/zinc/42/07/96/570420796.db2.gz DLPYTDUJVXSJEY-UHFFFAOYSA-N 0 0 390.468 4.265 40 0 GIABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(CCOC)c3C)N21 ZINC000222693996 570421030 /nfs/dbraw/zinc/42/10/30/570421030.db2.gz RFEGYSZMCYBGIJ-FFZOFVMBSA-N 0 0 384.549 4.126 40 0 GIABRN Cc1ccc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222709179 570421596 /nfs/dbraw/zinc/42/15/96/570421596.db2.gz LIWOWGULMWJXAY-LJQANCHMSA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@H](NC(=O)CSCc1ccccc1F)c1ccc(OC)c(OC)c1 ZINC000222712474 570421948 /nfs/dbraw/zinc/42/19/48/570421948.db2.gz HNEGQMSEOCVBIY-KRWDZBQOSA-N 0 0 377.481 4.344 40 0 GIABRN Cc1cccc(CN(C(=O)CSc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222713376 570422038 /nfs/dbraw/zinc/42/20/38/570422038.db2.gz FGPURKKRSVBQIK-GOSISDBHSA-N 0 0 398.572 4.419 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)CSCc3ccccc3F)n2)cc1 ZINC000222713446 570422215 /nfs/dbraw/zinc/42/22/15/570422215.db2.gz GXUQIWUATITDIR-UHFFFAOYSA-N 0 0 385.464 4.076 40 0 GIABRN Cc1cc(C)cc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)c1 ZINC000026124242 570422786 /nfs/dbraw/zinc/42/27/86/570422786.db2.gz SWMXHXMWGJZXTA-UHFFFAOYSA-N 0 0 386.455 4.363 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000222735806 570422926 /nfs/dbraw/zinc/42/29/26/570422926.db2.gz VBUCYKHIJXVZLR-RDTXWAMCSA-N 0 0 389.879 4.454 40 0 GIABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000222735880 570423020 /nfs/dbraw/zinc/42/30/20/570423020.db2.gz VBUCYKHIJXVZLR-KDOFPFPSSA-N 0 0 389.879 4.454 40 0 GIABRN COc1cc2ccc3c(c2cc1OC)N(C)[C@H](OC)c1cc2c(cc1-3)OCO2 ZINC000005011249 570423699 /nfs/dbraw/zinc/42/36/99/570423699.db2.gz ZEZWWHMLCLUVDS-JOCHJYFZSA-N 0 0 379.412 4.348 40 0 GIABRN CCCC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222750916 570424050 /nfs/dbraw/zinc/42/40/50/570424050.db2.gz QIJYATREQWYZJY-QFIPXVFZSA-N 0 0 398.522 4.338 40 0 GIABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1cccc(Cl)c1 ZINC000222773032 570425317 /nfs/dbraw/zinc/42/53/17/570425317.db2.gz IICJVGCXNDUOQA-UHFFFAOYSA-N 0 0 392.242 4.081 40 0 GIABRN Cc1ccc(C(SC[C@@H]([NH3+])C(=O)[O-])(c2ccccc2)c2ccccc2)cc1 ZINC000005049233 570426064 /nfs/dbraw/zinc/42/60/64/570426064.db2.gz ZPXQDWLBSHVOEI-OAQYLSRUSA-N 0 0 377.509 4.432 40 0 GIABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccnc1 ZINC000222819155 570427629 /nfs/dbraw/zinc/42/76/29/570427629.db2.gz BXSIHJWNWWNDQR-NHCUHLMSSA-N 0 0 391.544 4.265 40 0 GIABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 ZINC000222841042 570428636 /nfs/dbraw/zinc/42/86/36/570428636.db2.gz VLSZSVXGLNQSBP-UXHICEINSA-N 0 0 380.492 4.392 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)CSCc3ccccc3C)s2)cc1 ZINC000222855102 570429002 /nfs/dbraw/zinc/42/90/02/570429002.db2.gz DRVHNQHRGREGPY-UHFFFAOYSA-N 0 0 385.514 4.394 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C3CCCCC3)c2)cc1 ZINC000026955644 570430312 /nfs/dbraw/zinc/43/03/12/570430312.db2.gz LRSRPRKXXUCBCN-UHFFFAOYSA-N 0 0 386.517 4.201 40 0 GIABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 ZINC000222913556 570431272 /nfs/dbraw/zinc/43/12/72/570431272.db2.gz VSVXHJGIDWGSOT-PMACEKPBSA-N 0 0 380.517 4.153 40 0 GIABRN COc1ccc(Cl)cc1C(=O)NCCNc1ccnc2cc(Cl)ccc21 ZINC000222954376 570432926 /nfs/dbraw/zinc/43/29/26/570432926.db2.gz QBOBGQMNYWXHPF-UHFFFAOYSA-N 0 0 390.270 4.392 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CSCc1ccc(C)cc1 ZINC000222967889 570433756 /nfs/dbraw/zinc/43/37/56/570433756.db2.gz QNBMFOGTNVUURO-OAQYLSRUSA-N 0 0 398.572 4.090 40 0 GIABRN C[C@H]1Cc2cc(Br)ccc2N1C(=O)COc1ccc(Cl)cc1 ZINC000222970288 570434047 /nfs/dbraw/zinc/43/40/47/570434047.db2.gz AXFLSTKDZIHJRF-NSHDSACASA-N 0 0 380.669 4.459 40 0 GIABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000222984041 570435014 /nfs/dbraw/zinc/43/50/14/570435014.db2.gz UYAHMLRAJOTALK-OAQYLSRUSA-N 0 0 380.488 4.336 40 0 GIABRN CCSc1nnc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)s1 ZINC000222998329 570436017 /nfs/dbraw/zinc/43/60/17/570436017.db2.gz FPTGKKLGCBSCRM-ZDUSSCGKSA-N 0 0 396.969 4.154 40 0 GIABRN COc1cc2c(cc1S(=O)(=O)N[C@H](C)c1ccc3c(c1)CCCC3)CCCC2 ZINC000223004824 570436711 /nfs/dbraw/zinc/43/67/11/570436711.db2.gz XQZDMWCWVVMSFK-MRXNPFEDSA-N 0 0 399.556 4.492 40 0 GIABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000223003209 570436723 /nfs/dbraw/zinc/43/67/23/570436723.db2.gz YOYADFGVBRGIKY-FQEVSTJZSA-N 0 0 393.487 4.478 40 0 GIABRN CCOc1ccc(S(=O)(=O)NCc2cccc3ccccc32)cc1Cl ZINC000223008887 570437024 /nfs/dbraw/zinc/43/70/24/570437024.db2.gz BYEYCZZILMMSJJ-UHFFFAOYSA-N 0 0 375.877 4.370 40 0 GIABRN CCCCC[C@H]1O[C@H]1C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO ZINC000027646638 570437977 /nfs/dbraw/zinc/43/79/77/570437977.db2.gz LPMVKZXODWQHGJ-LPGBQIIWSA-N 0 0 394.552 4.240 40 0 endogenous,in-man GIABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000223025927 570438313 /nfs/dbraw/zinc/43/83/13/570438313.db2.gz ZNVSHRBJUYNNOQ-PMACEKPBSA-N 0 0 397.475 4.100 40 0 GIABRN Cc1cc(C)c(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c(C)c1 ZINC000005439671 570439252 /nfs/dbraw/zinc/43/92/52/570439252.db2.gz MHDRCGGNDRVTLY-UHFFFAOYSA-N 0 0 386.517 4.103 40 0 GIABRN O=C(Nc1cccc(Cl)c1Cl)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000005439194 570439321 /nfs/dbraw/zinc/43/93/21/570439321.db2.gz JJZAWLOEPOTGKF-UHFFFAOYSA-N 0 0 399.299 4.176 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl ZINC000223053338 570440294 /nfs/dbraw/zinc/44/02/94/570440294.db2.gz NNVWFMCBVCJFPG-HXUWFJFHSA-N 0 0 386.923 4.134 40 0 GIABRN CCOC(=O)c1ccc(-c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)o2)cc1 ZINC000005474433 570441255 /nfs/dbraw/zinc/44/12/55/570441255.db2.gz QWFSZJDULQAEPU-XMHGGMMESA-N 0 0 387.391 4.468 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223094458 570442919 /nfs/dbraw/zinc/44/29/19/570442919.db2.gz BSCOUAGBTROSFN-JOCHJYFZSA-N 0 0 396.531 4.051 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl ZINC000223099548 570443630 /nfs/dbraw/zinc/44/36/30/570443630.db2.gz OXRCJIYUAYDGPP-HXUWFJFHSA-N 0 0 386.923 4.134 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C)cc1 ZINC000223116394 570444131 /nfs/dbraw/zinc/44/41/31/570444131.db2.gz LSZBRPKWDMTWML-OALUTQOASA-N 0 0 398.522 4.399 40 0 GIABRN CC(C)CCCCCCc1ccc(OCCOCCOCCOCCO)cc1 ZINC000005520992 570444329 /nfs/dbraw/zinc/44/43/29/570444329.db2.gz NTNKBZPTAHSDAB-UHFFFAOYSA-N 0 0 396.568 4.257 40 0 GIABRN COc1cccc(CCCNC(=O)CSCc2ccc(Cl)cc2F)c1 ZINC000223142683 570446863 /nfs/dbraw/zinc/44/68/63/570446863.db2.gz XAOODGDJQHOVOM-UHFFFAOYSA-N 0 0 381.900 4.470 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 ZINC000223178486 570448085 /nfs/dbraw/zinc/44/80/85/570448085.db2.gz TVZZJMYXCHXZTK-HXUWFJFHSA-N 0 0 386.923 4.134 40 0 GIABRN O=S(=O)(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccccc1 ZINC000005595399 570448376 /nfs/dbraw/zinc/44/83/76/570448376.db2.gz PZRJDUWHQNHCDA-UHFFFAOYSA-N 0 0 385.832 4.344 40 0 GIABRN COc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(Cl)cc1F)CC(C)(C)O2 ZINC000223225988 570451022 /nfs/dbraw/zinc/45/10/22/570451022.db2.gz PSGNDQRFWFUJOS-QGZVFWFLSA-N 0 0 377.843 4.449 40 0 GIABRN Cc1cc(OCC(=O)N(C)Cc2nc(-c3cccs3)no2)cc(C)c1Cl ZINC000028188729 570451982 /nfs/dbraw/zinc/45/19/82/570451982.db2.gz MKUJHOHQSWCDQB-UHFFFAOYSA-N 0 0 391.880 4.106 40 0 GIABRN Cc1c(Br)ccc(OCc2nc(-c3ccncc3)no2)c1Cl ZINC000028224061 570452599 /nfs/dbraw/zinc/45/25/99/570452599.db2.gz GHTFYDDDUOINII-UHFFFAOYSA-N 0 0 380.629 4.435 40 0 GIABRN Cc1onc(-c2ccccc2Cl)c1C(=O)Sc1nnnn1-c1ccccc1 ZINC000005724388 570453514 /nfs/dbraw/zinc/45/35/14/570453514.db2.gz WLKOEPXMAWZAQN-UHFFFAOYSA-N 0 0 397.847 4.212 40 0 GIABRN COc1ccc([C@H](C)NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000223272355 570455221 /nfs/dbraw/zinc/45/52/21/570455221.db2.gz SFQOMLLMZQORMO-HNNXBMFYSA-N 0 0 377.506 4.175 40 0 GIABRN O[C@H]1[C@@H](Cc2ccc(OC(F)F)cc2)SC(=S)N1Cc1ccccc1 ZINC000225392976 570456070 /nfs/dbraw/zinc/45/60/70/570456070.db2.gz GIQPGEWJDFGHGH-CVEARBPZSA-N 0 0 381.469 4.051 40 0 GIABRN Cc1cc(NC(=O)c2ccco2)ccc1N1C(=O)c2cccc(Cl)c2C1=O ZINC000005793085 570456905 /nfs/dbraw/zinc/45/69/05/570456905.db2.gz PWQWNBOEAITDLB-UHFFFAOYSA-N 0 0 380.787 4.294 40 0 GIABRN Cc1cc(OCC(=O)NCCSC2CCCC2)cc(C)c1Br ZINC000223411900 570464774 /nfs/dbraw/zinc/46/47/74/570464774.db2.gz UYBPMSDVRCUQQU-UHFFFAOYSA-N 0 0 386.355 4.237 40 0 GIABRN Cc1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 ZINC000005969119 570463484 /nfs/dbraw/zinc/46/34/84/570463484.db2.gz VAOUJAUNDIMQTO-UHFFFAOYSA-N 0 0 388.423 4.043 40 0 GIABRN CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccc(OC)cc1 ZINC000223442261 570466104 /nfs/dbraw/zinc/46/61/04/570466104.db2.gz UZPSHGPWRXWAGS-NHCUHLMSSA-N 0 0 392.528 4.084 40 0 GIABRN CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1 ZINC000223450576 570466589 /nfs/dbraw/zinc/46/65/89/570466589.db2.gz UPYCXGLJXZRHCB-VQTJNVASSA-N 0 0 377.517 4.032 40 0 GIABRN CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1 ZINC000223450489 570466691 /nfs/dbraw/zinc/46/66/91/570466691.db2.gz UPYCXGLJXZRHCB-WOJBJXKFSA-N 0 0 377.517 4.032 40 0 GIABRN O=C(NC1C[C@H]2CCC[C@@H](C1)N2C(=O)Nc1ccc(F)cc1)c1cccc(F)c1 ZINC000035312804 570467742 /nfs/dbraw/zinc/46/77/42/570467742.db2.gz LZWLQFFYIMNBQX-IHWFROFDSA-N 0 0 399.441 4.312 40 0 GIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCC(C)C)c1ccccc1 ZINC000223479870 570467980 /nfs/dbraw/zinc/46/79/80/570467980.db2.gz FCWAAJGYIJZAEY-JOCHJYFZSA-N 0 0 384.495 4.468 40 0 GIABRN COc1ccc(CSCC(=O)NCCOc2cccc3ccccc32)cc1 ZINC000223510191 570469147 /nfs/dbraw/zinc/46/91/47/570469147.db2.gz LGKUJDLRZKGUIG-UHFFFAOYSA-N 0 0 381.497 4.277 40 0 GIABRN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(Cn2ccnc2)cc1 ZINC000134267286 570469707 /nfs/dbraw/zinc/46/97/07/570469707.db2.gz QCITZJPXJNLINK-UHFFFAOYSA-N 0 0 395.875 4.356 40 0 GIABRN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2C ZINC000035316715 570470344 /nfs/dbraw/zinc/47/03/44/570470344.db2.gz POILVRQHEZAFRX-SNVBAGLBSA-N 0 0 381.329 4.137 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 ZINC000223550718 570470652 /nfs/dbraw/zinc/47/06/52/570470652.db2.gz QXCGFVXYSBSLFK-LJQANCHMSA-N 0 0 398.572 4.339 40 0 GIABRN Cc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000006232125 570473078 /nfs/dbraw/zinc/47/30/78/570473078.db2.gz PSZSKLAJNDRUEG-UHFFFAOYSA-N 0 0 386.517 4.155 40 0 GIABRN O=S(=O)(NCCOc1ccc2ccccc2c1)c1ccc2ccccc2c1 ZINC000223603442 570473762 /nfs/dbraw/zinc/47/37/62/570473762.db2.gz FPRHUAOLPFLJHF-UHFFFAOYSA-N 0 0 377.465 4.350 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000223607186 570474185 /nfs/dbraw/zinc/47/41/85/570474185.db2.gz RIUAOGVJRJITDR-JOCHJYFZSA-N 0 0 380.532 4.261 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223626592 570475496 /nfs/dbraw/zinc/47/54/96/570475496.db2.gz PRIBRCVKOUTWGW-IBGZPJMESA-N 0 0 396.531 4.051 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1C ZINC000223639261 570475969 /nfs/dbraw/zinc/47/59/69/570475969.db2.gz MUBXJLXHYXVXFV-LJQANCHMSA-N 0 0 398.572 4.090 40 0 GIABRN COc1cc2ccccc2cc1C(=O)Nc1nc2ccc(NC(C)=O)cc2o1 ZINC000006305030 570476475 /nfs/dbraw/zinc/47/64/75/570476475.db2.gz QKGHZBKJGJVXGT-UHFFFAOYSA-N 0 0 375.384 4.200 40 0 GIABRN Cc1nccn1Cc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1 ZINC000223645072 570476775 /nfs/dbraw/zinc/47/67/75/570476775.db2.gz RNWQXLQMABALIS-UHFFFAOYSA-N 0 0 385.467 4.202 40 0 GIABRN CC1(C)CCc2cc(S(=O)(=O)Nc3cccc(Br)c3)ccc2O1 ZINC000223658205 570477160 /nfs/dbraw/zinc/47/71/60/570477160.db2.gz LGQHBGGCHKBSGU-UHFFFAOYSA-N 0 0 396.306 4.354 40 0 GIABRN COc1ccc(CSCC(=O)NCCOc2ccccc2C(C)(C)C)cc1 ZINC000223668830 570478065 /nfs/dbraw/zinc/47/80/65/570478065.db2.gz FEUNTGRDQXEDOO-UHFFFAOYSA-N 0 0 387.545 4.421 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1ccccc1 ZINC000223677876 570478399 /nfs/dbraw/zinc/47/83/99/570478399.db2.gz DVIDDHMBBRVCOI-JOCHJYFZSA-N 0 0 394.559 4.384 40 0 GIABRN O=C(c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCSCC1 ZINC000000780591 570479789 /nfs/dbraw/zinc/47/97/89/570479789.db2.gz DRNNYGIIYBQJNP-UHFFFAOYSA-N 0 0 391.452 4.339 40 0 GIABRN CCc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2CC)cc1 ZINC000000786345 570481052 /nfs/dbraw/zinc/48/10/52/570481052.db2.gz ZQVLGOHYAIFHDM-UHFFFAOYSA-N 0 0 380.517 4.182 40 0 GIABRN CCOc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1 ZINC000223741273 570482112 /nfs/dbraw/zinc/48/21/12/570482112.db2.gz AJVYNAIKOMEPAH-UHFFFAOYSA-N 0 0 377.506 4.038 40 0 GIABRN Cc1cc(I)cnc1NC(=O)c1ccc(C(C)C)cc1 ZINC000006572480 570483781 /nfs/dbraw/zinc/48/37/81/570483781.db2.gz JZTSHKSMSMEUCM-UHFFFAOYSA-N 0 0 380.229 4.370 40 0 GIABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000223771639 570483883 /nfs/dbraw/zinc/48/38/83/570483883.db2.gz YURIOZVJCQYMFZ-FQEVSTJZSA-N 0 0 387.907 4.362 40 0 GIABRN c1csc([C@@H](CNc2nnnn2-c2ccccc2)c2c[nH]c3ccccc32)c1 ZINC000006587335 570484542 /nfs/dbraw/zinc/48/45/42/570484542.db2.gz ROYYMSSMKJJQSR-SFHVURJKSA-N 0 0 386.484 4.449 40 0 GIABRN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000223837350 570486732 /nfs/dbraw/zinc/48/67/32/570486732.db2.gz QZIRKGTYIMEJLQ-UHFFFAOYSA-N 0 0 381.453 4.249 40 0 GIABRN CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C ZINC000223853602 570487174 /nfs/dbraw/zinc/48/71/74/570487174.db2.gz MVJURAIEJJPNCB-SFTDATJTSA-N 0 0 392.528 4.403 40 0 GIABRN COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)ccc1Cl ZINC000223898925 570489370 /nfs/dbraw/zinc/48/93/70/570489370.db2.gz KUBLFZJEOLRPLF-UHFFFAOYSA-N 0 0 395.908 4.071 40 0 GIABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2)c1 ZINC000223931978 570490556 /nfs/dbraw/zinc/49/05/56/570490556.db2.gz BDBKAMBDSVCRTB-QGZVFWFLSA-N 0 0 394.496 4.287 40 0 GIABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCC2=CCCCC2)ccc1C ZINC000223940052 570491002 /nfs/dbraw/zinc/49/10/02/570491002.db2.gz IJBYIAQVIIPSRF-UHFFFAOYSA-N 0 0 398.528 4.334 40 0 GIABRN COc1ccc2nc(C)c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2c1 ZINC000030608397 570492303 /nfs/dbraw/zinc/49/23/03/570492303.db2.gz ORBUWSLRTWMGCK-UHFFFAOYSA-N 0 0 395.890 4.168 40 0 GIABRN COc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1O ZINC000006793884 570493287 /nfs/dbraw/zinc/49/32/87/570493287.db2.gz YAIPSZJHPPKLMW-FRKPEAEDSA-N 0 0 393.823 4.430 40 0 GIABRN O=c1oc2ccc(Br)cc2cc1-c1nnc(-c2cccc(F)c2)o1 ZINC000000846030 570493338 /nfs/dbraw/zinc/49/33/38/570493338.db2.gz LBLQTLNWCIEAQC-UHFFFAOYSA-N 0 0 387.164 4.412 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccs2)N1c1ccc2c(c1)OCO2 ZINC000223999517 570493728 /nfs/dbraw/zinc/49/37/28/570493728.db2.gz KCVIXYHFSFRCBJ-QZTJIDSGSA-N 0 0 381.482 4.049 40 0 GIABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000030754064 570494773 /nfs/dbraw/zinc/49/47/73/570494773.db2.gz DKDQEYMTEDQMAW-FNNXTJRKSA-N 0 0 398.934 4.355 40 0 GIABRN CC1=C(C(=O)OCc2ccccc2)C(C)C(C(=O)OCc2ccccc2)=C(C)N1 ZINC000000851639 570494946 /nfs/dbraw/zinc/49/49/46/570494946.db2.gz VGFHQHLORRXSTD-UHFFFAOYSA-N 0 0 391.467 4.261 40 0 GIABRN Cc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1S(=O)(=O)N1CCCCC1 ZINC000224021230 570495008 /nfs/dbraw/zinc/49/50/08/570495008.db2.gz ZEICOWGWZCJIKY-UHFFFAOYSA-N 0 0 394.581 4.114 40 0 GIABRN CCOC(=O)C1CCN(C(=O)CSCc2ccc(Cl)c(Cl)c2)CC1 ZINC000030757844 570495621 /nfs/dbraw/zinc/49/56/21/570495621.db2.gz MTFUSZGPNZLKFE-UHFFFAOYSA-N 0 0 390.332 4.028 40 0 GIABRN S=C(NCc1ccc2c(c1)OCO2)Nc1ccc(Sc2ccccc2)nc1 ZINC000224046775 570496267 /nfs/dbraw/zinc/49/62/67/570496267.db2.gz JESKEGJKIRAJGU-UHFFFAOYSA-N 0 0 395.509 4.448 40 0 GIABRN Cc1ccc(Nc2ccc(NC(=S)NCc3ccc4c(c3)OCO4)cn2)cc1 ZINC000224047311 570496380 /nfs/dbraw/zinc/49/63/80/570496380.db2.gz DJRXXOGWQKCLCD-UHFFFAOYSA-N 0 0 392.484 4.349 40 0 GIABRN COc1ccc(NC(=O)c2ccc(Br)o2)cc1Br ZINC000006846936 570496663 /nfs/dbraw/zinc/49/66/63/570496663.db2.gz OPXRDAWZTBTVNU-UHFFFAOYSA-N 0 0 375.016 4.066 40 0 GIABRN O=C(COC(=O)c1ccc(F)cc1)Nc1ccc(Br)c(Cl)c1 ZINC000006863202 570497141 /nfs/dbraw/zinc/49/71/41/570497141.db2.gz QXKQTDQKYZVYLS-UHFFFAOYSA-N 0 0 386.604 4.037 40 0 GIABRN O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cccc(Cl)c1 ZINC000006885823 570498182 /nfs/dbraw/zinc/49/81/82/570498182.db2.gz QHLFTWSORFZFHI-UHFFFAOYSA-N 0 0 376.799 4.393 40 0 GIABRN CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224104411 570498784 /nfs/dbraw/zinc/49/87/84/570498784.db2.gz GZGMJDBQESBVSD-HXUWFJFHSA-N 0 0 394.559 4.371 40 0 GIABRN Cc1ccccc1CN(C(=O)CCc1ccccc1)[C@@H](C)C(=O)NCC(C)C ZINC000224114385 570499411 /nfs/dbraw/zinc/49/94/11/570499411.db2.gz ATHZKKLDVSWDHD-FQEVSTJZSA-N 0 0 380.532 4.117 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224129689 570500203 /nfs/dbraw/zinc/50/02/03/570500203.db2.gz XULVKPHUMKXHIO-OAQYLSRUSA-N 0 0 394.559 4.426 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccccc1 ZINC000224137164 570500535 /nfs/dbraw/zinc/50/05/35/570500535.db2.gz VZGLBLDRFKVJPO-OAQYLSRUSA-N 0 0 398.572 4.172 40 0 GIABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000224140555 570500562 /nfs/dbraw/zinc/50/05/62/570500562.db2.gz NGTZGBBMKMYUCG-KRWDZBQOSA-N 0 0 399.472 4.018 40 0 GIABRN Cc1cccc(CN(C(=O)CSc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224144187 570500825 /nfs/dbraw/zinc/50/08/25/570500825.db2.gz LKDUIUSGPGJRCR-IBGZPJMESA-N 0 0 398.572 4.277 40 0 GIABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000224158790 570501534 /nfs/dbraw/zinc/50/15/34/570501534.db2.gz LJVYWWVRZICDTH-OAQYLSRUSA-N 0 0 385.504 4.345 40 0 GIABRN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000224162497 570501628 /nfs/dbraw/zinc/50/16/28/570501628.db2.gz MRKDNLURYBBRDW-QAIWHXNASA-N 0 0 392.430 4.375 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C ZINC000224172729 570502282 /nfs/dbraw/zinc/50/22/82/570502282.db2.gz KMSFDWOHXQHNDP-JOCHJYFZSA-N 0 0 380.532 4.098 40 0 GIABRN Cc1ccc(CCC(=O)Nc2ccc(I)cc2)cc1C ZINC000224173164 570502363 /nfs/dbraw/zinc/50/23/63/570502363.db2.gz ARWFQYJCGPHWKK-UHFFFAOYSA-N 0 0 379.241 4.479 40 0 GIABRN CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 ZINC000007323312 570502800 /nfs/dbraw/zinc/50/28/00/570502800.db2.gz YWBQCPHUESOYJY-UHFFFAOYSA-N 0 0 386.517 4.129 40 0 GIABRN COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1ccc(Cl)c(C)c1 ZINC000224202869 570503330 /nfs/dbraw/zinc/50/33/30/570503330.db2.gz LHDOAIKSLDHHDT-SFHVURJKSA-N 0 0 389.879 4.145 40 0 GIABRN Cc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N3[C@H](C)CCC[C@@H]3C)n12 ZINC000000877077 570503668 /nfs/dbraw/zinc/50/36/68/570503668.db2.gz MIOWQGGVOGARLU-IYBDPMFKSA-N 0 0 382.533 4.381 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000224224532 570504642 /nfs/dbraw/zinc/50/46/42/570504642.db2.gz PWAUPYIJWOULRV-JOCHJYFZSA-N 0 0 380.532 4.098 40 0 GIABRN CCC(CC)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000224236566 570504868 /nfs/dbraw/zinc/50/48/68/570504868.db2.gz BIBWNWGNDNESBX-UHFFFAOYSA-N 0 0 394.924 4.084 40 0 GIABRN CCCc1ccc(OCCNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000224259851 570505908 /nfs/dbraw/zinc/50/59/08/570505908.db2.gz SDEZFIHPCBGQNF-UHFFFAOYSA-N 0 0 375.896 4.483 40 0 GIABRN COc1cc(C(=O)N(C)c2nc(-c3ccccc3)cs2)cc(OC)c1OC ZINC000000882023 570507816 /nfs/dbraw/zinc/50/78/16/570507816.db2.gz VDRIXFDHCSDAAB-UHFFFAOYSA-N 0 0 384.457 4.113 40 0 GIABRN Cc1ccc(C(=O)Nc2ccccc2F)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000224291696 570508022 /nfs/dbraw/zinc/50/80/22/570508022.db2.gz ANJKWMVZTJMMSR-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000224302514 570508271 /nfs/dbraw/zinc/50/82/71/570508271.db2.gz DCNKNQBBQIXNRI-HXUWFJFHSA-N 0 0 386.923 4.134 40 0 GIABRN CCCCCNC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000224309640 570508416 /nfs/dbraw/zinc/50/84/16/570508416.db2.gz DWTKGTLGJJNDQQ-UHFFFAOYSA-N 0 0 388.533 4.049 40 0 GIABRN CCNC(=S)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000000884559 570509159 /nfs/dbraw/zinc/50/91/59/570509159.db2.gz PDZSDBLIHIGECJ-UHFFFAOYSA-N 0 0 385.558 4.103 40 0 GIABRN CCC[C@H](C)NC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224334706 570509842 /nfs/dbraw/zinc/50/98/42/570509842.db2.gz QZIODRUKUFAHJC-AWEZNQCLSA-N 0 0 394.924 4.084 40 0 GIABRN CCCCOC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(OC)cc2C)cc1 ZINC000224387278 570511558 /nfs/dbraw/zinc/51/15/58/570511558.db2.gz QVGKTOAVUUAPPO-UHFFFAOYSA-N 0 0 391.489 4.070 40 0 GIABRN CCOc1ccc(CCC(=O)NCCOc2ccc(CC)cc2)cc1OCC ZINC000224394779 570511875 /nfs/dbraw/zinc/51/18/75/570511875.db2.gz NYCAWWRYBGAMPU-UHFFFAOYSA-N 0 0 385.504 4.174 40 0 GIABRN Cc1ccc(-n2c(SCC(=O)NC3CCCCC3)nnc2-c2ccco2)cc1 ZINC000000892143 570512125 /nfs/dbraw/zinc/51/21/25/570512125.db2.gz MWOGTNUDXWVSEG-UHFFFAOYSA-N 0 0 396.516 4.377 40 0 GIABRN O=C(CSc1nnc(C2CCCCC2)n1-c1ccccc1)NCc1ccco1 ZINC000000892248 570512355 /nfs/dbraw/zinc/51/23/55/570512355.db2.gz MQCWNKFOMCRVKV-UHFFFAOYSA-N 0 0 396.516 4.317 40 0 GIABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc(C)c3C)n2C)c1 ZINC000000894660 570512869 /nfs/dbraw/zinc/51/28/69/570512869.db2.gz NQAMDYSFSQHEFO-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN COc1ccc(Cl)cc1C(=O)CSc1nnc(-c2cccc(C)c2)n1C ZINC000000896957 570513634 /nfs/dbraw/zinc/51/36/34/570513634.db2.gz OFCYEEIDWRCNJK-UHFFFAOYSA-N 0 0 387.892 4.428 40 0 GIABRN CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccc(O)cc1 ZINC000000907352 570517214 /nfs/dbraw/zinc/51/72/14/570517214.db2.gz ZUUJAKOHFVPZEJ-UHFFFAOYSA-N 0 0 382.489 4.018 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000224547608 570517603 /nfs/dbraw/zinc/51/76/03/570517603.db2.gz MKQAIOARNJTRKH-QHCPKHFHSA-N 0 0 394.559 4.426 40 0 GIABRN Cc1cccc(NCN2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000000910488 570518041 /nfs/dbraw/zinc/51/80/41/570518041.db2.gz LYQNCTWKVIHXMI-MXXWWZHRSA-N 0 0 394.474 4.257 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2ccccc2Cl)c(Cl)c1Cl ZINC000224614090 570520526 /nfs/dbraw/zinc/52/05/26/570520526.db2.gz NCEMOSASTVWLSI-UHFFFAOYSA-N 0 0 380.680 4.481 40 0 GIABRN CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1ccc(C)c(C)c1 ZINC000224618880 570520847 /nfs/dbraw/zinc/52/08/47/570520847.db2.gz MGWOOJHPAIIQMW-NRFANRHFSA-N 0 0 383.488 4.190 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2cc(C)ccc2OC)c(Cl)c1Cl ZINC000224622258 570520882 /nfs/dbraw/zinc/52/08/82/570520882.db2.gz BAJNUHGYJITVBN-UHFFFAOYSA-N 0 0 390.288 4.144 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(C)cc1 ZINC000224632596 570521520 /nfs/dbraw/zinc/52/15/20/570521520.db2.gz KJQAJUVIBVFMQV-LJQANCHMSA-N 0 0 398.572 4.172 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000224637783 570522055 /nfs/dbraw/zinc/52/20/55/570522055.db2.gz PZYMGCNFTSLSMI-KRWDZBQOSA-N 0 0 386.923 4.133 40 0 GIABRN CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000224648422 570522222 /nfs/dbraw/zinc/52/22/22/570522222.db2.gz PJEHQKHFKQJJDK-UHFFFAOYSA-N 0 0 398.322 4.290 40 0 GIABRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000224645355 570522327 /nfs/dbraw/zinc/52/23/27/570522327.db2.gz HJJFNDUULNVXDS-HXUWFJFHSA-N 0 0 392.543 4.485 40 0 GIABRN CCCC[C@H](CC)CNC(=O)CCCN(c1ccccc1CC)S(C)(=O)=O ZINC000224660481 570523291 /nfs/dbraw/zinc/52/32/91/570523291.db2.gz FCGRIHMUKPQXGG-SFHVURJKSA-N 0 0 396.597 4.128 40 0 GIABRN Cc1ccccc1CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC1CCCC1 ZINC000224702856 570525611 /nfs/dbraw/zinc/52/56/11/570525611.db2.gz ZPLUPDCWBVUPBQ-GOSISDBHSA-N 0 0 396.506 4.153 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000224702913 570525655 /nfs/dbraw/zinc/52/56/55/570525655.db2.gz TYKVGYFHWYTHAT-SFHVURJKSA-N 0 0 396.506 4.153 40 0 GIABRN CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000224719498 570526688 /nfs/dbraw/zinc/52/66/88/570526688.db2.gz IYUYRLWQVYJPRN-UHFFFAOYSA-N 0 0 381.881 4.040 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000224727538 570527068 /nfs/dbraw/zinc/52/70/68/570527068.db2.gz JUQRVFBNASNMNP-KRWDZBQOSA-N 0 0 386.923 4.134 40 0 GIABRN CCCC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC1CCCC1 ZINC000224732336 570527415 /nfs/dbraw/zinc/52/74/15/570527415.db2.gz MWOOGBQLWFCFSD-CQSZACIVSA-N 0 0 395.341 4.025 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl ZINC000224775668 570530320 /nfs/dbraw/zinc/53/03/20/570530320.db2.gz RTBRZKJUGXUZAH-QGZVFWFLSA-N 0 0 386.923 4.134 40 0 GIABRN CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224788841 570530745 /nfs/dbraw/zinc/53/07/45/570530745.db2.gz BKPRHVPHUUKBGA-HSZRJFAPSA-N 0 0 392.543 4.485 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 ZINC000224840570 570533144 /nfs/dbraw/zinc/53/31/44/570533144.db2.gz ASTOWMWINZZLGI-QGZVFWFLSA-N 0 0 386.923 4.134 40 0 GIABRN O=C(CSc1nncn1-c1cccnc1)N(c1ccccc1)c1ccccc1 ZINC000000916928 570533363 /nfs/dbraw/zinc/53/33/63/570533363.db2.gz YWFWPMZKMVGUDV-UHFFFAOYSA-N 0 0 387.468 4.119 40 0 GIABRN Cc1cc(C)cc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)o2)c1 ZINC000000917719 570533750 /nfs/dbraw/zinc/53/37/50/570533750.db2.gz PSPITDZBCPUAFY-UHFFFAOYSA-N 0 0 386.452 4.168 40 0 GIABRN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2)N1CCCCCC1 ZINC000000918398 570534754 /nfs/dbraw/zinc/53/47/54/570534754.db2.gz FZXJKKFQWCCUIB-IUODEOHRSA-N 0 0 382.386 4.153 40 0 GIABRN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2)N1CCCCCC1 ZINC000000918396 570534826 /nfs/dbraw/zinc/53/48/26/570534826.db2.gz FZXJKKFQWCCUIB-WFASDCNBSA-N 0 0 382.386 4.153 40 0 GIABRN CCOc1cc(CNC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)ccc1OC ZINC000224890984 570536317 /nfs/dbraw/zinc/53/63/17/570536317.db2.gz ASTYRJZKTAMFDM-OAQYLSRUSA-N 0 0 397.515 4.447 40 0 GIABRN O=C(CSc1nnc2c3c4c(sc3ncn12)CCCC4)c1ccccc1 ZINC000000925304 570538285 /nfs/dbraw/zinc/53/82/85/570538285.db2.gz ZAQDTCLXPUXTAZ-UHFFFAOYSA-N 0 0 380.498 4.193 40 0 GIABRN CC(C)(C)CC(C)(C)NC(=O)CS(=O)(=O)Cc1cccc2ccccc21 ZINC000224952023 570539544 /nfs/dbraw/zinc/53/95/44/570539544.db2.gz UDMZZBNQYWKOSV-UHFFFAOYSA-N 0 0 375.534 4.086 40 0 GIABRN O=C(NCCCc1ccc(Cl)cc1)c1cccc(I)c1 ZINC000224964183 570539870 /nfs/dbraw/zinc/53/98/70/570539870.db2.gz HPVIGOHJERVYFO-UHFFFAOYSA-N 0 0 399.659 4.307 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C)c(C)c1 ZINC000224995989 570542319 /nfs/dbraw/zinc/54/23/19/570542319.db2.gz AQQFJYKDYWMTIM-PMACEKPBSA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cccc(C)c1C ZINC000225009980 570543118 /nfs/dbraw/zinc/54/31/18/570543118.db2.gz GQHYQOSEJKSJDN-ICSRJNTNSA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)COc1ccc(OC)cc1 ZINC000225030498 570544519 /nfs/dbraw/zinc/54/45/19/570544519.db2.gz UJBOQQVWONFVME-HXOBKFHXSA-N 0 0 397.515 4.315 40 0 GIABRN COC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225059731 570545645 /nfs/dbraw/zinc/54/56/45/570545645.db2.gz XQZXWJXDTDJAJC-UHFFFAOYSA-N 0 0 397.496 4.133 40 0 GIABRN CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225057809 570545765 /nfs/dbraw/zinc/54/57/65/570545765.db2.gz LLXLROKTTALZME-UHFFFAOYSA-N 0 0 383.469 4.150 40 0 GIABRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c(C)c1 ZINC000225055840 570545771 /nfs/dbraw/zinc/54/57/71/570545771.db2.gz ATGRCDKZZBZLKX-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN CC(C)NC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1Cl ZINC000225069263 570546515 /nfs/dbraw/zinc/54/65/15/570546515.db2.gz JMZSTAUIYDXGCT-UHFFFAOYSA-N 0 0 395.684 4.493 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1 ZINC000225072494 570547006 /nfs/dbraw/zinc/54/70/06/570547006.db2.gz HBQIILVPIMVDNG-OAQYLSRUSA-N 0 0 398.572 4.253 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 ZINC000225097291 570548302 /nfs/dbraw/zinc/54/83/02/570548302.db2.gz NLJIMARZOUZLKB-WOJBJXKFSA-N 0 0 380.532 4.260 40 0 GIABRN CCn1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)ccc21 ZINC000225107358 570549307 /nfs/dbraw/zinc/54/93/07/570549307.db2.gz XCKJAZQLEGWFFJ-LLVKDONJSA-N 0 0 376.865 4.142 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1 ZINC000225128978 570550985 /nfs/dbraw/zinc/55/09/85/570550985.db2.gz CNFHTDYLWBTSTB-PMACEKPBSA-N 0 0 396.531 4.014 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 ZINC000225127389 570550991 /nfs/dbraw/zinc/55/09/91/570550991.db2.gz JFVGTAGCYGIGDQ-QFIPXVFZSA-N 0 0 380.532 4.180 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 ZINC000225131193 570551161 /nfs/dbraw/zinc/55/11/61/570551161.db2.gz RQNUNQHXDLIQDD-ROUUACIJSA-N 0 0 384.495 4.009 40 0 GIABRN O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1)c1cccs1 ZINC000035313294 570551728 /nfs/dbraw/zinc/55/17/28/570551728.db2.gz WRXDTJUSIKQWJH-UHFFFAOYSA-N 0 0 395.509 4.423 40 0 GIABRN COc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 ZINC000225153809 570552384 /nfs/dbraw/zinc/55/23/84/570552384.db2.gz IIOQNFMCCNWQIO-CYBMUJFWSA-N 0 0 386.473 4.059 40 0 GIABRN CC(C)n1c(=O)sc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000225156509 570552789 /nfs/dbraw/zinc/55/27/89/570552789.db2.gz QLLBGBURPMNMFP-UHFFFAOYSA-N 0 0 376.865 4.315 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000225172122 570553689 /nfs/dbraw/zinc/55/36/89/570553689.db2.gz UDBJOLZHKIMAOQ-IAGOWNOFSA-N 0 0 386.923 4.215 40 0 GIABRN COCc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)c1 ZINC000225189196 570554688 /nfs/dbraw/zinc/55/46/88/570554688.db2.gz CIUROIIKGQYDOO-STZFKDTASA-N 0 0 390.439 4.144 40 0 GIABRN CCc1ccc([C@@H](C)NC(=O)c2ccc(I)cc2)cc1 ZINC000070134356 570556757 /nfs/dbraw/zinc/55/67/57/570556757.db2.gz HEIJDZIXCRQMPY-GFCCVEGCSA-N 0 0 379.241 4.345 40 0 GIABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000225268100 570560582 /nfs/dbraw/zinc/56/05/82/570560582.db2.gz KQMRATYCZKNGBG-KSSFIOAISA-N 0 0 377.893 4.167 40 0 GIABRN CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1 ZINC000225335537 570565060 /nfs/dbraw/zinc/56/50/60/570565060.db2.gz PCQXZUBZIOPRKK-VQTJNVASSA-N 0 0 378.501 4.374 40 0 GIABRN Cc1cc2cc(C)c(C)cc2n2c(SCC(=O)N3CCCCCC3)nnc12 ZINC000001223270 570565048 /nfs/dbraw/zinc/56/50/48/570565048.db2.gz DKECQWRDUYXHHX-UHFFFAOYSA-N 0 0 382.533 4.302 40 0 GIABRN CCOC(=O)C1=C(C)N=C2S[C@@H](c3ccccc3)C(=O)N2[C@H]1c1ccccc1 ZINC000036624798 570566118 /nfs/dbraw/zinc/56/61/18/570566118.db2.gz AKVCMNUBPUVVJS-OALUTQOASA-N 0 0 392.480 4.251 40 0 GIABRN COc1ccc(-c2cc[nH]c3nn(-c4ccc(Cl)cc4)c(=O)c2-3)cc1OC ZINC000010157168 570566204 /nfs/dbraw/zinc/56/62/04/570566204.db2.gz LDOUTSRGWVJIOE-UHFFFAOYSA-N 0 0 381.819 4.051 40 0 GIABRN CCOc1ccc(N2C(=O)C[C@H](Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000036635699 570566537 /nfs/dbraw/zinc/56/65/37/570566537.db2.gz LBYSUYMURWYUMY-INIZCTEOSA-N 0 0 379.243 4.136 40 0 GIABRN CCOc1ccc(N2C(=O)C[C@H](Nc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000036635698 570566563 /nfs/dbraw/zinc/56/65/63/570566563.db2.gz VUCSVXWBUURLRM-INIZCTEOSA-N 0 0 379.243 4.136 40 0 GIABRN Cc1nc2sc3c(c2c(SCC(=O)N2CCCCC2)n1)CC[C@H](C)C3 ZINC000001326167 570566608 /nfs/dbraw/zinc/56/66/08/570566608.db2.gz FFWSYVAXZKJYFB-LBPRGKRZSA-N 0 0 375.563 4.229 40 0 GIABRN COc1cccc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000001325650 570566876 /nfs/dbraw/zinc/56/68/76/570566876.db2.gz ZMLVOTHCNVVFHV-UHFFFAOYSA-N 0 0 395.450 4.233 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)NCCSCc2ccccc2C)c1 ZINC000225361969 570567632 /nfs/dbraw/zinc/56/76/32/570567632.db2.gz QRFLKIDBYFEHMK-UHFFFAOYSA-N 0 0 388.558 4.392 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1Cl ZINC000225406359 570570697 /nfs/dbraw/zinc/57/06/97/570570697.db2.gz QMPCSLRGRQQCBA-AWEZNQCLSA-N 0 0 393.314 4.089 40 0 GIABRN CSc1nnc(NC(=O)CSCc2c(Cl)cccc2Cl)s1 ZINC000225411559 570571214 /nfs/dbraw/zinc/57/12/14/570571214.db2.gz DHMJNJVJTDFCTE-UHFFFAOYSA-N 0 0 380.347 4.439 40 0 GIABRN Cc1ccc2cc3c(N)c(C(=O)Nc4ccc5c(c4)OCO5)sc3nc2c1 ZINC000001342837 570571439 /nfs/dbraw/zinc/57/14/39/570571439.db2.gz NMRFADWKXVGMRS-UHFFFAOYSA-N 0 0 377.425 4.321 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSc1ccccc1 ZINC000225421368 570572388 /nfs/dbraw/zinc/57/23/88/570572388.db2.gz SWAOMPRINYKXOJ-MOPGFXCFSA-N 0 0 398.572 4.153 40 0 GIABRN O=C(Cc1ccccc1Cl)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000225435991 570573680 /nfs/dbraw/zinc/57/36/80/570573680.db2.gz QFCAARZIJOYQDV-UHFFFAOYSA-N 0 0 378.859 4.451 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)NCc2cccc(OCC)c2)cc1Cl ZINC000225440338 570574475 /nfs/dbraw/zinc/57/44/75/570574475.db2.gz CUHBGOYIMWOYSY-UHFFFAOYSA-N 0 0 392.908 4.402 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000225449628 570575409 /nfs/dbraw/zinc/57/54/09/570575409.db2.gz BRSNSUGVINLELR-RTWAWAEBSA-N 0 0 394.559 4.220 40 0 GIABRN CCCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccccn1 ZINC000001362593 570576784 /nfs/dbraw/zinc/57/67/84/570576784.db2.gz MBVQUDIDYGDIHV-UHFFFAOYSA-N 0 0 381.505 4.098 40 0 GIABRN COc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccccc4C)C3)n2)cc1 ZINC000001362690 570576793 /nfs/dbraw/zinc/57/67/93/570576793.db2.gz FCBZWCJYZBOYMD-KRWDZBQOSA-N 0 0 377.444 4.073 40 0 GIABRN O=C(NCCc1ccccc1)c1ccccc1NC(=O)c1c(F)cccc1F ZINC000072205994 570576919 /nfs/dbraw/zinc/57/69/19/570576919.db2.gz KUELAORTMAQOAK-UHFFFAOYSA-N 0 0 380.394 4.190 40 0 GIABRN CCOc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C)cc4)no3)C2)cc1 ZINC000001363281 570577643 /nfs/dbraw/zinc/57/76/43/570577643.db2.gz TWRWQCXYAFPMDS-LJQANCHMSA-N 0 0 391.471 4.464 40 0 GIABRN CCC(=O)Nc1ccc2nc(C3CC3)n(Cc3ccc(Cl)cc3)c(=O)c2c1 ZINC000001363204 570577657 /nfs/dbraw/zinc/57/76/57/570577657.db2.gz DTNKRESUXLDMBA-UHFFFAOYSA-N 0 0 381.863 4.324 40 0 GIABRN O=C(c1ccc(F)cc1F)N1CCC[C@@H](c2nc(-c3cccs3)no2)C1 ZINC000001364200 570577743 /nfs/dbraw/zinc/57/77/43/570577743.db2.gz GBRSCSUKEJOUPE-LLVKDONJSA-N 0 0 375.400 4.096 40 0 GIABRN COc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000001363877 570577753 /nfs/dbraw/zinc/57/77/53/570577753.db2.gz KRXRKLMLEPOKDL-MRXNPFEDSA-N 0 0 397.862 4.418 40 0 GIABRN CCC(=O)N(Cc1ccccc1OC)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001366502 570579273 /nfs/dbraw/zinc/57/92/73/570579273.db2.gz DJGYNSQBQQRNFH-UHFFFAOYSA-N 0 0 378.472 4.092 40 0 GIABRN O=C(CC(c1ccccc1)c1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000038489948 570579874 /nfs/dbraw/zinc/57/98/74/570579874.db2.gz BDQBUYIWXHUHFC-SIKLNZKXSA-N 0 0 398.506 4.016 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1C ZINC000225492217 570579905 /nfs/dbraw/zinc/57/99/05/570579905.db2.gz JWDWJISAOGMBCE-UGKGYDQZSA-N 0 0 380.532 4.260 40 0 GIABRN Cc1cccc(CN(C(=O)CCSc2ccccc2)[C@H](C)C(=O)NC(C)C)c1 ZINC000225497790 570580665 /nfs/dbraw/zinc/58/06/65/570580665.db2.gz IJLXEJSRPAKOGY-LJQANCHMSA-N 0 0 398.572 4.419 40 0 GIABRN COC(=O)c1cc(NC(=S)N[C@@H](C)CCc2ccccc2)ccc1Cl ZINC000225514450 570582177 /nfs/dbraw/zinc/58/21/77/570582177.db2.gz UBKBAURIJYCQTH-ZDUSSCGKSA-N 0 0 376.909 4.434 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225515158 570582806 /nfs/dbraw/zinc/58/28/06/570582806.db2.gz HLWCHIYULHVNDM-KRWDZBQOSA-N 0 0 386.923 4.133 40 0 GIABRN COc1ccccc1NC(=O)N1CCC[C@H]1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000001379610 570583251 /nfs/dbraw/zinc/58/32/51/570583251.db2.gz YTTYPUVLGZUWIU-INIZCTEOSA-N 0 0 391.830 4.123 40 0 GIABRN COc1ccc(CNC(=O)[C@@H](OC(=O)c2cccs2)c2ccccc2F)cc1 ZINC000001381271 570584054 /nfs/dbraw/zinc/58/40/54/570584054.db2.gz VRXBJOJGDYATLX-IBGZPJMESA-N 0 0 399.443 4.110 40 0 GIABRN O=C(NCCSCc1ccccc1Cl)c1ccc(Cn2ccnc2)cc1 ZINC000038837480 570586991 /nfs/dbraw/zinc/58/69/91/570586991.db2.gz QBQCVBJZFRZYAL-UHFFFAOYSA-N 0 0 385.920 4.248 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225554860 570587380 /nfs/dbraw/zinc/58/73/80/570587380.db2.gz KWWFJPJPFCKWJF-KRWDZBQOSA-N 0 0 386.923 4.133 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 ZINC000225554964 570587437 /nfs/dbraw/zinc/58/74/37/570587437.db2.gz OKSGSZKORGSLRZ-PGRDOPGGSA-N 0 0 398.522 4.399 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F ZINC000225556129 570587939 /nfs/dbraw/zinc/58/79/39/570587939.db2.gz ZCERHIVKMDADDT-PGRDOPGGSA-N 0 0 398.522 4.399 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)NCCOc2ccc(C)cc2)cc1Cl ZINC000225563019 570588431 /nfs/dbraw/zinc/58/84/31/570588431.db2.gz WHRNHQAJRZSLNJ-UHFFFAOYSA-N 0 0 392.908 4.191 40 0 GIABRN Cc1ccc(OCCNC(=S)Nc2ccc(Br)c(C)c2)cc1 ZINC000225562057 570588530 /nfs/dbraw/zinc/58/85/30/570588530.db2.gz RRSKPAZGFPMIPU-UHFFFAOYSA-N 0 0 379.323 4.431 40 0 GIABRN CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)Cc1ccc(Cl)cc1F ZINC000225566754 570588980 /nfs/dbraw/zinc/58/89/80/570588980.db2.gz UAPBVJCVSYHFNA-UHFFFAOYSA-N 0 0 394.233 4.384 40 0 GIABRN COC(=O)c1ccc(C)c(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)c1 ZINC000225576918 570590256 /nfs/dbraw/zinc/59/02/56/570590256.db2.gz VQBHVWUFIRZSLC-KRWDZBQOSA-N 0 0 384.501 4.370 40 0 GIABRN COc1ccc(NC(=S)NCCCSCc2ccccc2F)cc1OC ZINC000225611902 570593910 /nfs/dbraw/zinc/59/39/10/570593910.db2.gz PPOPHYJWDLALPU-UHFFFAOYSA-N 0 0 394.537 4.453 40 0 GIABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000225614314 570594440 /nfs/dbraw/zinc/59/44/40/570594440.db2.gz PLTDVZWJKTUIGF-JOCHJYFZSA-N 0 0 381.516 4.325 40 0 GIABRN CCOc1ccccc1CCCNC(=O)Cc1cccc(Br)c1 ZINC000225616810 570594814 /nfs/dbraw/zinc/59/48/14/570594814.db2.gz PYBSJHZZSNGSEY-UHFFFAOYSA-N 0 0 376.294 4.139 40 0 GIABRN CC(C)Oc1cccc(NC(=S)NCc2cccc(N3CCCC3=O)c2)c1 ZINC000225647154 570597781 /nfs/dbraw/zinc/59/77/81/570597781.db2.gz SUNFUIVQIUKNTC-UHFFFAOYSA-N 0 0 383.517 4.087 40 0 GIABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccccc2C)c1 ZINC000225648501 570598158 /nfs/dbraw/zinc/59/81/58/570598158.db2.gz RAPRDEIMEVEUPH-STZFKDTASA-N 0 0 390.508 4.452 40 0 GIABRN Cc1nc2nc(N3CCCC3)[nH]c(=O)c2c(=S)n1-c1ccc2ccccc2c1 ZINC000040386965 570599057 /nfs/dbraw/zinc/59/90/57/570599057.db2.gz KSNMKMCIPGJSQW-UHFFFAOYSA-N 0 0 389.484 4.312 40 0 GIABRN Cc1cccc(C)c1-n1cnc2[nH]c(N3CCC(C)CC3)nc(=O)c2c1=S ZINC000040385719 570599116 /nfs/dbraw/zinc/59/91/16/570599116.db2.gz FZPIQAAKMQAHCZ-UHFFFAOYSA-N 0 0 381.505 4.104 40 0 GIABRN COc1cc(C)c(C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1C(C)C ZINC000225669785 570601026 /nfs/dbraw/zinc/60/10/26/570601026.db2.gz XEADSTCBUWDNGW-UHFFFAOYSA-N 0 0 379.460 4.415 40 0 GIABRN COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(N2CCCC2=O)cc1 ZINC000225704649 570606717 /nfs/dbraw/zinc/60/67/17/570606717.db2.gz FVALUFVCVKUFSA-HXUWFJFHSA-N 0 0 395.528 4.186 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000225711907 570607467 /nfs/dbraw/zinc/60/74/67/570607467.db2.gz IUIBJJPXBXJQDI-JOCHJYFZSA-N 0 0 380.532 4.260 40 0 GIABRN CC[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000225722515 570608925 /nfs/dbraw/zinc/60/89/25/570608925.db2.gz NYINQHFCCNPZMW-INIZCTEOSA-N 0 0 382.938 4.181 40 0 GIABRN CCCn1c2ccc(S(=O)(=O)Nc3ccccc3C(C)C)cc2sc1=O ZINC000225725762 570609194 /nfs/dbraw/zinc/60/91/94/570609194.db2.gz PQNAJLPRBDRUGB-UHFFFAOYSA-N 0 0 390.530 4.397 40 0 GIABRN Cc1cc2nc([C@H]3CCCN3C(=O)c3cc(-c4ccco4)n[nH]3)[nH]c2cc1C ZINC000012116114 570611168 /nfs/dbraw/zinc/61/11/68/570611168.db2.gz JCSSEGUAGHXSKG-GOSISDBHSA-N 0 0 375.432 4.140 40 0 GIABRN CCOc1ccc(-c2cc(C(=O)Nc3n[nH]c(-c4cccs4)c3C)n[nH]2)cc1 ZINC000012116933 570611520 /nfs/dbraw/zinc/61/15/20/570611520.db2.gz TXRSBWLGTDUKIS-UHFFFAOYSA-N 0 0 393.472 4.488 40 0 GIABRN O=C(c1cccc2cccnc21)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 ZINC000012117188 570611648 /nfs/dbraw/zinc/61/16/48/570611648.db2.gz PRNBBYXETBJZAJ-LJQANCHMSA-N 0 0 395.466 4.107 40 0 GIABRN COc1cccc(NC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 ZINC000225760281 570614247 /nfs/dbraw/zinc/61/42/47/570614247.db2.gz ABRMSWRNRQTMOI-UHFFFAOYSA-N 0 0 375.428 4.269 40 0 GIABRN COc1cccc(-c2noc(CCC(=O)Nc3ccc(F)c(Cl)c3)n2)c1 ZINC000041185359 570615980 /nfs/dbraw/zinc/61/59/80/570615980.db2.gz UITUGSKTQJBQBT-UHFFFAOYSA-N 0 0 375.787 4.109 40 0 GIABRN COc1ccc(NC(=S)NCCOc2ccccc2Cl)c2cccnc12 ZINC000225781070 570616759 /nfs/dbraw/zinc/61/67/59/570616759.db2.gz YWYGZENNWXESFK-UHFFFAOYSA-N 0 0 387.892 4.262 40 0 GIABRN Cc1c(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)n[nH]c1-c1cccs1 ZINC000012147200 570617192 /nfs/dbraw/zinc/61/71/92/570617192.db2.gz IHKVSYVNGUXGTK-UHFFFAOYSA-N 0 0 381.436 4.083 40 0 GIABRN CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1C(=O)OCC ZINC000225792959 570617591 /nfs/dbraw/zinc/61/75/91/570617591.db2.gz XECPZYGFHALVOA-OAQYLSRUSA-N 0 0 379.497 4.432 40 0 GIABRN Cc1ccccc1C1(O)CCN(C(=O)CCCc2cn(C)c3ccccc23)CC1 ZINC000012148713 570617783 /nfs/dbraw/zinc/61/77/83/570617783.db2.gz YJZDDDIAKWPHPL-UHFFFAOYSA-N 0 0 390.527 4.320 40 0 GIABRN C[C@H](CCc1ccccc1)NC(=O)CCc1nc(-c2ccccc2Cl)no1 ZINC000225811932 570620283 /nfs/dbraw/zinc/62/02/83/570620283.db2.gz LLXSWSOWSXEDCY-OAHLLOKOSA-N 0 0 383.879 4.460 40 0 GIABRN COc1ccc(NC(=S)NCc2nc(-c3cccc(C)c3)no2)cc1Cl ZINC000225814690 570620623 /nfs/dbraw/zinc/62/06/23/570620623.db2.gz RSOHDCCCBFJMBU-UHFFFAOYSA-N 0 0 388.880 4.194 40 0 GIABRN COc1ccc2c(c1)CCC[C@H]2NC(=O)COc1cccc(C(F)(F)F)c1 ZINC000225814216 570620683 /nfs/dbraw/zinc/62/06/83/570620683.db2.gz VTDUSODTQYLQDK-GOSISDBHSA-N 0 0 379.378 4.287 40 0 GIABRN O=C(CCc1nc(-c2ccc(Br)cc2)no1)NC1CCCCCC1 ZINC000225817747 570621041 /nfs/dbraw/zinc/62/10/41/570621041.db2.gz SARQHLSFSCNKTE-UHFFFAOYSA-N 0 0 392.297 4.271 40 0 GIABRN COc1ccccc1CN(Cc1coc2ccc(C)cc2c1=O)C[C@H]1CCCO1 ZINC000012187555 570621360 /nfs/dbraw/zinc/62/13/60/570621360.db2.gz WEINLTULGGUSGH-HXUWFJFHSA-N 0 0 393.483 4.291 40 0 GIABRN O=C(CCc1nc(-c2ccc(Br)cc2)no1)N1CCc2ccccc21 ZINC000225821413 570621468 /nfs/dbraw/zinc/62/14/68/570621468.db2.gz LTOWJCXBHDLMOT-UHFFFAOYSA-N 0 0 398.260 4.021 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@@](C)(CC(C)C)OCC)ccc1OC(C)C ZINC000225818839 570621616 /nfs/dbraw/zinc/62/16/16/570621616.db2.gz FHYXYKORQUTNJD-OAQYLSRUSA-N 0 0 379.497 4.430 40 0 GIABRN COc1ccc(S(=O)(=O)NCCCc2ccc(C(C)C)cc2)c(C)c1C ZINC000225828701 570622837 /nfs/dbraw/zinc/62/28/37/570622837.db2.gz WBYMRUKZUFSJOJ-UHFFFAOYSA-N 0 0 375.534 4.347 40 0 GIABRN Cc1oc2c(c1CC(=O)Nc1cc3c(cc1C)OCCO3)C(=O)CC(C)(C)C2 ZINC000012196368 570623056 /nfs/dbraw/zinc/62/30/56/570623056.db2.gz UFCVGOWUQOKQEV-UHFFFAOYSA-N 0 0 383.444 4.004 40 0 GIABRN CCOc1ccc(-c2noc(CNC(=S)Nc3ccccc3Cl)n2)cc1 ZINC000225829794 570623167 /nfs/dbraw/zinc/62/31/67/570623167.db2.gz JBHGNZNFJAPCLA-UHFFFAOYSA-N 0 0 388.880 4.275 40 0 GIABRN CCCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)cc1C(=O)OC ZINC000225834243 570623916 /nfs/dbraw/zinc/62/39/16/570623916.db2.gz KTTQNWQZZVYRNN-UHFFFAOYSA-N 0 0 377.481 4.186 40 0 GIABRN CCCO[C@](C)(C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1)C1CC1 ZINC000225857751 570627395 /nfs/dbraw/zinc/62/73/95/570627395.db2.gz ADZABURSWWWRMJ-NRFANRHFSA-N 0 0 377.481 4.042 40 0 GIABRN Cc1cccc(-c2noc(CNC(=O)COc3cc(C)ccc3C(C)C)n2)c1 ZINC000225858161 570627464 /nfs/dbraw/zinc/62/74/64/570627464.db2.gz OFWIIAOUFUJNHH-UHFFFAOYSA-N 0 0 379.460 4.172 40 0 GIABRN Cc1nn(CC(=O)Nc2ccc3c(c2)oc2ccccc23)c(=O)c2ccccc12 ZINC000004400751 570628844 /nfs/dbraw/zinc/62/88/44/570628844.db2.gz BVUCLYJSUPHRQL-UHFFFAOYSA-N 0 0 383.407 4.243 40 0 aggregator GIABRN COCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c(C)n1 ZINC000225868294 570629177 /nfs/dbraw/zinc/62/91/77/570629177.db2.gz DTIRICMEKZHLCO-UHFFFAOYSA-N 0 0 386.467 4.395 40 0 GIABRN COc1ccc2cc(S(=O)(=O)NCCSC3CCCCC3)ccc2c1 ZINC000225873932 570629352 /nfs/dbraw/zinc/62/93/52/570629352.db2.gz WOCDDSWQGNUKDB-UHFFFAOYSA-N 0 0 379.547 4.193 40 0 GIABRN CCCO[C@]1(C(=O)Nc2ccc(OCCOCC)nc2C)CCC[C@H](C)C1 ZINC000225911330 570632821 /nfs/dbraw/zinc/63/28/21/570632821.db2.gz ZUMMCVKIZARTTB-HRAATJIYSA-N 0 0 378.513 4.119 40 0 GIABRN COc1ccc([C@@H](C)NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)cc1 ZINC000225916717 570633147 /nfs/dbraw/zinc/63/31/47/570633147.db2.gz NSUMSIHEGOTJQG-MRXNPFEDSA-N 0 0 376.460 4.337 40 0 GIABRN COc1ccc(NC(=O)C2(C)COC(c3ccc(Cl)cc3)OC2)c(C)c1 ZINC000225919489 570633317 /nfs/dbraw/zinc/63/33/17/570633317.db2.gz QUSRVTIQXBGABV-UHFFFAOYSA-N 0 0 375.852 4.347 40 0 GIABRN O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(Br)cc1 ZINC000004837920 570633809 /nfs/dbraw/zinc/63/38/09/570633809.db2.gz OHEVHZYFGGGHJE-UHFFFAOYSA-N 0 0 393.244 4.435 40 0 GIABRN COCCNc1c(-c2cc3ccc(C)c(C)c3[nH]c2=O)nc2ccc(Cl)cn21 ZINC000004847644 570633925 /nfs/dbraw/zinc/63/39/25/570633925.db2.gz CZTHRPNDRFKHFN-UHFFFAOYSA-N 0 0 396.878 4.171 40 0 GIABRN Cc1ccc(CNC(=S)Nc2nc(C)cc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000225946025 570635440 /nfs/dbraw/zinc/63/54/40/570635440.db2.gz GSRDPFSTXDSWBU-HZPDHXFCSA-N 0 0 383.565 4.062 40 0 GIABRN CCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(OC)cc1)OCO3 ZINC000004849540 570635961 /nfs/dbraw/zinc/63/59/61/570635961.db2.gz ZZOCXKCJWXKZEJ-UHFFFAOYSA-N 0 0 396.468 4.265 40 0 GIABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000044855431 570636741 /nfs/dbraw/zinc/63/67/41/570636741.db2.gz VVVVAEXGJJRHGC-FQEVSTJZSA-N 0 0 375.472 4.272 40 0 GIABRN COc1cc(Oc2ccccc2)nc(NC(=S)NCCCc2ccccc2)n1 ZINC000225964442 570636841 /nfs/dbraw/zinc/63/68/41/570636841.db2.gz LBTHKWSCODIKOJ-UHFFFAOYSA-N 0 0 394.500 4.197 40 0 GIABRN COc1ccc(NC(=O)C(C)(C)Sc2ccccc2)cc1C(=O)N1CCCC1 ZINC000225960168 570636992 /nfs/dbraw/zinc/63/69/92/570636992.db2.gz FJOUXPNLMFIAGN-UHFFFAOYSA-N 0 0 398.528 4.441 40 0 GIABRN COCCN(Cc1cccn1C(C)C)C(=O)c1ccc2oc(Cl)nc2c1 ZINC000225984836 570637727 /nfs/dbraw/zinc/63/77/27/570637727.db2.gz QFMOYYWIKIDQIA-UHFFFAOYSA-N 0 0 375.856 4.152 40 0 GIABRN CCc1ccccc1NC(=O)CCNC(=O)c1ccc2sc(Cl)nc2c1 ZINC000225979113 570637800 /nfs/dbraw/zinc/63/78/00/570637800.db2.gz WQQCCAMUMNGODF-UHFFFAOYSA-N 0 0 387.892 4.271 40 0 GIABRN COc1ccc(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OC ZINC000044883440 570638578 /nfs/dbraw/zinc/63/85/78/570638578.db2.gz MEIAHBHJQMFIPO-UHFFFAOYSA-N 0 0 397.880 4.105 40 0 GIABRN S=C(NCc1ccccc1)N(CCc1nc2ccccc2[nH]1)C1CCCC1 ZINC000004861850 570641223 /nfs/dbraw/zinc/64/12/23/570641223.db2.gz VKXZJNIVKUPENO-UHFFFAOYSA-N 0 0 378.545 4.425 40 0 GIABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(Cn3ccnc3)cc2)cc1OCC ZINC000044905666 570641585 /nfs/dbraw/zinc/64/15/85/570641585.db2.gz SGXZDNLRONUBDB-KRWDZBQOSA-N 0 0 393.487 4.220 40 0 GIABRN CC(C)(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)Nc1cccc(Cl)c1 ZINC000004888262 570643244 /nfs/dbraw/zinc/64/32/44/570643244.db2.gz RREISCSDCSLLDX-ALOPSCKCSA-N 0 0 377.916 4.420 40 0 GIABRN COc1ccc(N(CCc2ccccn2)C(=O)c2csc(C(C)=O)c2)cc1 ZINC000012325554 570643247 /nfs/dbraw/zinc/64/32/47/570643247.db2.gz QMZADNLIXUCEKP-UHFFFAOYSA-N 0 0 380.469 4.244 40 0 GIABRN COc1ccc([C@H](OC(=O)c2cccs2)C(=O)NCCc2ccccc2)cc1 ZINC000004889920 570643605 /nfs/dbraw/zinc/64/36/05/570643605.db2.gz UUSYXKLWQXSUKS-FQEVSTJZSA-N 0 0 395.480 4.014 40 0 GIABRN COc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2Cl)cc1OC ZINC000045442544 570647041 /nfs/dbraw/zinc/64/70/41/570647041.db2.gz NIYBMJNEIKABDR-NSHDSACASA-N 0 0 384.259 4.267 40 0 GIABRN COc1cccc(Cn2cc(C)cc(NC(=O)c3ccccc3Cl)c2=O)c1 ZINC000005000910 570651426 /nfs/dbraw/zinc/65/14/26/570651426.db2.gz ADZGMSYBWLMDRI-UHFFFAOYSA-N 0 0 382.847 4.119 40 0 GIABRN O=C1S/C(=C\c2coc3ccccc3c2=O)C(=O)N1Cc1ccccc1F ZINC000059225648 570651762 /nfs/dbraw/zinc/65/17/62/570651762.db2.gz OBLCILGCPGAAPT-MFOYZWKCSA-N 0 0 381.384 4.169 40 0 GIABRN O=C(N[C@@H]1CCc2ccccc21)c1ccc2c(c1)[nH]c(=O)n2C1CCCCC1 ZINC000005001820 570651834 /nfs/dbraw/zinc/65/18/34/570651834.db2.gz JTABQZDARWAMJW-LJQANCHMSA-N 0 0 375.472 4.252 40 0 GIABRN Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Br)c(C)c3)CC2=O)c1 ZINC000059227318 570652120 /nfs/dbraw/zinc/65/21/20/570652120.db2.gz KKKHTUSLYDVFMY-CQSZACIVSA-N 0 0 387.277 4.058 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c(C)c1 ZINC000047156180 570653249 /nfs/dbraw/zinc/65/32/49/570653249.db2.gz UBIHHVUJRZAABF-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN Cc1cc(NC(=O)c2ccc3nsnc3c2)ccc1NC(=O)c1ccco1 ZINC000059294363 570653319 /nfs/dbraw/zinc/65/33/19/570653319.db2.gz OMHAOQBWSAVZRM-UHFFFAOYSA-N 0 0 378.413 4.097 40 0 GIABRN Cc1cc2nc([C@H]3CCCN(C(=S)NCc4ccccc4)C3)[nH]c2cc1C ZINC000004967248 570654174 /nfs/dbraw/zinc/65/41/74/570654174.db2.gz PQUIJMQFUVOZAY-SFHVURJKSA-N 0 0 378.545 4.434 40 0 GIABRN Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccccc2)cc1C ZINC000059502193 570659459 /nfs/dbraw/zinc/65/94/59/570659459.db2.gz SEPRBAWNYOEFMU-UHFFFAOYSA-N 0 0 384.435 4.204 40 0 GIABRN CCOC(=O)N1CCN(C(=O)c2ccc(CSCc3ccccc3)cc2)CC1 ZINC000059960788 570660477 /nfs/dbraw/zinc/66/04/77/570660477.db2.gz GXCHXFQSVFHZCJ-UHFFFAOYSA-N 0 0 398.528 4.034 40 0 GIABRN C[C@@H](OC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000005359246 570662489 /nfs/dbraw/zinc/66/24/89/570662489.db2.gz HWBFZRFLNVYRDS-NGZCFLSTSA-N 0 0 393.698 4.282 40 0 GIABRN Cc1ccc(NCc2nc(SCC(=O)Nc3cc(C)cc(C)c3)n[nH]2)cc1 ZINC000005448237 570662684 /nfs/dbraw/zinc/66/26/84/570662684.db2.gz CGWGYKFSVWRGKE-UHFFFAOYSA-N 0 0 381.505 4.073 40 0 GIABRN CCCC(=O)Nc1nnc(SCC(=O)Nc2cccc3ccccc32)s1 ZINC000006593150 570670851 /nfs/dbraw/zinc/67/08/51/570670851.db2.gz PYWNIYAXSHZTNY-UHFFFAOYSA-N 0 0 386.502 4.161 40 0 GIABRN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1 ZINC000006681395 570671927 /nfs/dbraw/zinc/67/19/27/570671927.db2.gz WDFQOFDTPSSESE-CQSZACIVSA-N 0 0 398.509 4.140 40 0 GIABRN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc3c(c1)OCO3)S[C@@H](C)C(=O)N2 ZINC000006678944 570673098 /nfs/dbraw/zinc/67/30/98/570673098.db2.gz KNRJRGUBWSQPDO-DJJJIMSYSA-N 0 0 393.468 4.073 40 0 GIABRN C[C@@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3cccc(Cl)c3)c2)C1 ZINC000006680922 570674861 /nfs/dbraw/zinc/67/48/61/570674861.db2.gz FHERMMIPAIZXAP-GFCCVEGCSA-N 0 0 398.937 4.074 40 0 GIABRN Cc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)cs2)c1 ZINC000006681120 570675084 /nfs/dbraw/zinc/67/50/84/570675084.db2.gz ZDZJMCQOGAFIQA-UHFFFAOYSA-N 0 0 386.498 4.134 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(CCOC)c3C)N21 ZINC000260778158 570705149 /nfs/dbraw/zinc/70/51/49/570705149.db2.gz RFEGYSZMCYBGIJ-AHRSYUTCSA-N 0 0 384.549 4.126 40 0 GIABRN CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc(Cl)c1O ZINC000260784049 570705153 /nfs/dbraw/zinc/70/51/53/570705153.db2.gz URJXNLZKVXVIKL-ZTFRIQLXSA-N 0 0 389.908 4.429 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(Cl)c(O)c(OC)c3)N21 ZINC000260788312 570705620 /nfs/dbraw/zinc/70/56/20/570705620.db2.gz YQLIDUXUGISXPR-DQYPLSBCSA-N 0 0 389.908 4.429 40 0 GIABRN COC(=O)c1ccc2nc(NC(=O)c3ccccc3Br)sc2c1 ZINC000001508179 570715388 /nfs/dbraw/zinc/71/53/88/570715388.db2.gz OLNTWBZUKIVTES-UHFFFAOYSA-N 0 0 391.246 4.098 40 0 GIABRN CC(C)C[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102732052 570720686 /nfs/dbraw/zinc/72/06/86/570720686.db2.gz BIBIMNXLUWFCTR-GBESFXJTSA-N 0 0 384.863 4.065 40 0 GIABRN CCc1ccc(C(=O)NC(=S)Nc2c(F)cc(F)cc2Br)cc1 ZINC000004776815 570730035 /nfs/dbraw/zinc/73/00/35/570730035.db2.gz RIYDCSFFPWVNNI-UHFFFAOYSA-N 0 0 399.260 4.417 40 0 GIABRN CCOCC[C@H]1CCOC12CCN(C(=O)CCc1ccccc1Cl)CC2 ZINC000253386358 570732534 /nfs/dbraw/zinc/73/25/34/570732534.db2.gz WLIRLOJRERIKSV-SFHVURJKSA-N 0 0 379.928 4.097 40 0 GIABRN O=C(Nc1cccc(Br)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000005671026 570735445 /nfs/dbraw/zinc/73/54/45/570735445.db2.gz AIYNDLNGTUQZFR-LLVKDONJSA-N 0 0 393.668 4.094 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)cc1 ZINC000059133018 570736730 /nfs/dbraw/zinc/73/67/30/570736730.db2.gz YIPXOTIMUGYPAO-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN Cc1ccc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000006056817 570737716 /nfs/dbraw/zinc/73/77/16/570737716.db2.gz SUVBZTLIBRYKHZ-LBPRGKRZSA-N 0 0 382.243 4.251 40 0 GIABRN CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccco1 ZINC000006356596 570741305 /nfs/dbraw/zinc/74/13/05/570741305.db2.gz WCNNKUDAAJIVJY-UHFFFAOYSA-N 0 0 376.869 4.251 40 0 GIABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000006386299 570744053 /nfs/dbraw/zinc/74/40/53/570744053.db2.gz NCHXJUSIIXXDQN-UHFFFAOYSA-N 0 0 396.299 4.469 40 0 GIABRN C[C@@H]1[C@@H](C)CCC[C@@H]1n1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O ZINC000040391437 570746050 /nfs/dbraw/zinc/74/60/50/570746050.db2.gz WDHZZZLINLGPEN-IYOUNJFTSA-N 0 0 391.450 4.243 40 0 GIABRN Cc1ccc(OCC(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000006845567 570752125 /nfs/dbraw/zinc/75/21/25/570752125.db2.gz ZEXMMKSTWQXAMY-UHFFFAOYSA-N 0 0 391.905 4.150 40 0 GIABRN CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc(OC(C)C)cc3)CC2=O)cc1 ZINC000006880932 570752724 /nfs/dbraw/zinc/75/27/24/570752724.db2.gz PSUMDUVNWYHUOX-QGZVFWFLSA-N 0 0 396.487 4.254 40 0 GIABRN Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccccc1F ZINC000007235922 570757100 /nfs/dbraw/zinc/75/71/00/570757100.db2.gz YAKVGDBODWCFKC-UHFFFAOYSA-N 0 0 376.844 4.005 40 0 GIABRN COc1cccc(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000007939863 570763179 /nfs/dbraw/zinc/76/31/79/570763179.db2.gz FTDHJFSCCRFNHV-UHFFFAOYSA-N 0 0 375.424 4.009 40 0 GIABRN CCn1c(SCC(=O)N(C(C)C)C(C)C)nnc1-c1ccc(Cl)cc1 ZINC000008089992 570764870 /nfs/dbraw/zinc/76/48/70/570764870.db2.gz AVMVFVVQTYVGHZ-UHFFFAOYSA-N 0 0 380.945 4.356 40 0 GIABRN O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000008034549 570765364 /nfs/dbraw/zinc/76/53/64/570765364.db2.gz LYTQJJJAVIZWTD-UHFFFAOYSA-N 0 0 391.298 4.162 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1 ZINC000008287642 570766766 /nfs/dbraw/zinc/76/67/66/570766766.db2.gz IYHOHWJZKSMZBW-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN CN(C(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccccc1 ZINC000013673023 570771186 /nfs/dbraw/zinc/77/11/86/570771186.db2.gz JIVKYEAMOKIRKZ-QFIPXVFZSA-N 0 0 392.480 4.330 40 0 GIABRN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]21SCC(=O)N1c1ccccc1 ZINC000008559993 570771351 /nfs/dbraw/zinc/77/13/51/570771351.db2.gz NJFWECQKFYTUJR-HSZRJFAPSA-N 0 0 390.508 4.470 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)c3ccccc3)ccc2C)cc1 ZINC000013673673 570771395 /nfs/dbraw/zinc/77/13/95/570771395.db2.gz ZLIPIMUJHBEMEY-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN CCn1c(SCCCOc2c(C=O)cccc2OC)nnc1-c1ccccc1 ZINC000008731796 570772158 /nfs/dbraw/zinc/77/21/58/570772158.db2.gz MAANDUXLUADHCI-UHFFFAOYSA-N 0 0 397.500 4.347 40 0 GIABRN Cc1nn(-c2nc3ccccc3[nH]2)c2c1C(=O)C[C@H](c1cc(F)cc(F)c1)C2 ZINC000009938882 570778130 /nfs/dbraw/zinc/77/81/30/570778130.db2.gz NCVVVSDKFQFHMJ-CYBMUJFWSA-N 0 0 378.382 4.248 40 0 GIABRN Cc1cccc(-c2noc(CCC(=O)Nc3cccc(Br)c3)n2)c1 ZINC000169890290 570786495 /nfs/dbraw/zinc/78/64/95/570786495.db2.gz HYWZFBNVIFREND-UHFFFAOYSA-N 0 0 386.249 4.379 40 0 GIABRN CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000010337952 570788794 /nfs/dbraw/zinc/78/87/94/570788794.db2.gz WXWIDNPILNLNBX-UHFFFAOYSA-N 0 0 394.924 4.042 40 0 GIABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(I)cc2)cc1 ZINC000010977879 570793533 /nfs/dbraw/zinc/79/35/33/570793533.db2.gz ONYGXJFNYJHYTG-LBPRGKRZSA-N 0 0 395.240 4.181 40 0 GIABRN COc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)o2)c1 ZINC000012178841 570802744 /nfs/dbraw/zinc/80/27/44/570802744.db2.gz REXZRYFNPAXFSW-UHFFFAOYSA-N 0 0 389.864 4.438 40 0 GIABRN COc1cccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)c1 ZINC000012178761 570802832 /nfs/dbraw/zinc/80/28/32/570802832.db2.gz ZOQWWRXSQZWQQA-UHFFFAOYSA-N 0 0 375.837 4.129 40 0 GIABRN COc1cc(N)c(Cl)cc1C(=O)OCC(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000012622623 570809509 /nfs/dbraw/zinc/80/95/09/570809509.db2.gz RTRUFMLGFFXCDB-VFVRVIDISA-N 0 0 397.899 4.092 40 0 GIABRN C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000195529042 570842948 /nfs/dbraw/zinc/84/29/48/570842948.db2.gz LSELYNHNNZHEKN-OQMKEHIESA-N 0 0 377.485 4.297 40 0 GIABRN Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N[C@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 ZINC000195529261 570843117 /nfs/dbraw/zinc/84/31/17/570843117.db2.gz RMCAGPMISDBGBY-AUNZGGSSSA-N 0 0 381.495 4.112 40 0 GIABRN COc1ccccc1NC(=S)N1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000013556090 570851790 /nfs/dbraw/zinc/85/17/90/570851790.db2.gz DMCYWNSJWQCUFB-HNNXBMFYSA-N 0 0 380.517 4.456 40 0 GIABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000014007097 570875100 /nfs/dbraw/zinc/87/51/00/570875100.db2.gz AJLJOLRUOYYEIU-CQSZACIVSA-N 0 0 398.846 4.269 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)cc1C ZINC000014037437 570876516 /nfs/dbraw/zinc/87/65/16/570876516.db2.gz OSUNQVRPOXTKCL-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN Cc1cccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C)n2C)c1 ZINC000014117115 570876908 /nfs/dbraw/zinc/87/69/08/570876908.db2.gz OCWGLLWHRFIWMY-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000014397611 570883232 /nfs/dbraw/zinc/88/32/32/570883232.db2.gz JZAURQHMAYAZNA-UHFFFAOYSA-N 0 0 379.504 4.458 40 0 GIABRN Cc1ccc(OCCCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 ZINC000014399797 570884417 /nfs/dbraw/zinc/88/44/17/570884417.db2.gz AMEFQTKWOUTAAC-UHFFFAOYSA-N 0 0 392.455 4.316 40 0 GIABRN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000014831689 570899382 /nfs/dbraw/zinc/89/93/82/570899382.db2.gz YEGOCSZLFHRWLW-UHFFFAOYSA-N 0 0 399.516 4.197 40 0 GIABRN Cc1cccc(CC(=O)NC[C@H]2CC[C@H](c3n[nH]cc3-c3ccncc3)CC2)c1 ZINC000257303580 570904815 /nfs/dbraw/zinc/90/48/15/570904815.db2.gz SHUHPJBEVXEZNM-XGAFWQRZSA-N 0 0 388.515 4.413 40 0 GIABRN O=C(NC1CCN(C(=S)Nc2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC000015935881 570909014 /nfs/dbraw/zinc/90/90/14/570909014.db2.gz RDHLVQHUCSZLPJ-UHFFFAOYSA-N 0 0 379.957 4.198 40 0 GIABRN O=C(NCc1ccccc1Cl)[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 ZINC000015936018 570909324 /nfs/dbraw/zinc/90/93/24/570909324.db2.gz SQWNERIUIDWTCG-HNNXBMFYSA-N 0 0 389.858 4.039 40 0 GIABRN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(Br)cc1 ZINC000016014383 570909839 /nfs/dbraw/zinc/90/98/39/570909839.db2.gz LKDVCEMGWLTJIQ-UHFFFAOYSA-N 0 0 387.277 4.328 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2C)c1 ZINC000016503718 570913704 /nfs/dbraw/zinc/91/37/04/570913704.db2.gz UZWLRSMOSZLSKR-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN CCc1ccc(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)cc1 ZINC000017078642 570917554 /nfs/dbraw/zinc/91/75/54/570917554.db2.gz YLBFIIGJGAICTH-UHFFFAOYSA-N 0 0 385.261 4.417 40 0 GIABRN CCSc1nc2n(n1)[C@H](c1ccco1)CC(c1ccc(OC)c(OC)c1)=N2 ZINC000017078482 570917718 /nfs/dbraw/zinc/91/77/18/570917718.db2.gz SJELSFXWBSRNJM-AWEZNQCLSA-N 0 0 384.461 4.056 40 0 GIABRN CCCn1c2nnc(SCCCc3ccccc3)n2c2ccccc2c1=O ZINC000006509127 570930599 /nfs/dbraw/zinc/93/05/99/570930599.db2.gz ANGXCKDTCQJTMP-UHFFFAOYSA-N 0 0 378.501 4.179 40 0 GIABRN CCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1cc(C)c(C)o1)C2 ZINC000585107507 570935443 /nfs/dbraw/zinc/93/54/43/570935443.db2.gz YMAHJROLILUPJZ-HSZRJFAPSA-N 0 0 390.487 4.054 40 0 GIABRN COc1cc(Cl)ccc1C(=O)N1CCc2[nH]nc(-c3cccc(F)c3)c2CC1 ZINC000585110395 570938652 /nfs/dbraw/zinc/93/86/52/570938652.db2.gz PDGMDSJPOBXAHW-UHFFFAOYSA-N 0 0 399.853 4.119 40 0 GIABRN Cc1cc(C)cc(C(=O)N[C@@H]2CCCn3cnc(-c4ccc(N(C)C)cc4)c32)c1 ZINC000585110687 570944034 /nfs/dbraw/zinc/94/40/34/570944034.db2.gz QYCWJQAAVLERNX-OAQYLSRUSA-N 0 0 388.515 4.498 40 0 GIABRN Cc1ccc(CC(=O)N[C@H]2CCCn3cnc(-c4ccc(N(C)C)cc4)c32)cc1 ZINC000585110694 570944042 /nfs/dbraw/zinc/94/40/42/570944042.db2.gz VHCNYWPAJLUWDN-NRFANRHFSA-N 0 0 388.515 4.118 40 0 GIABRN COCc1cccc(-c2n[nH]c3c2CCN(C(=O)C2(C)CCCCC2)CC3)c1 ZINC000585110450 570944143 /nfs/dbraw/zinc/94/41/43/570944143.db2.gz XTFVCFRUZWKTTM-UHFFFAOYSA-N 0 0 381.520 4.121 40 0 GIABRN Cc1ccc(OCC(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)c(C)c1 ZINC000020411838 570946273 /nfs/dbraw/zinc/94/62/73/570946273.db2.gz IQZRUDAESNBDRX-UHFFFAOYSA-N 0 0 398.484 4.496 40 0 GIABRN Fc1ccc([C@H](Cn2cnc3ccccc32)NCc2cc3n(n2)CCCC3)cc1 ZINC000649582072 570949041 /nfs/dbraw/zinc/94/90/41/570949041.db2.gz WTFNZBPPEUVBNS-QFIPXVFZSA-N 0 0 389.478 4.239 40 0 GIABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)CSC(=O)c1ccccc1 ZINC000004143746 570967048 /nfs/dbraw/zinc/96/70/48/570967048.db2.gz ZAIHFUDRYXAKFW-CGTJXYLNSA-N 0 0 392.517 4.107 40 0 GIABRN Cc1ccc(N(CC(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)cc1C ZINC000243267176 570986483 /nfs/dbraw/zinc/98/64/83/570986483.db2.gz KWMLSJDYVHNXBV-UHFFFAOYSA-N 0 0 388.533 4.140 40 0 GIABRN O=C(NCc1ccccc1Cl)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000243733145 570988047 /nfs/dbraw/zinc/98/80/47/570988047.db2.gz PUQZXUDGFAXEBJ-LBPRGKRZSA-N 0 0 397.689 4.316 40 0 GIABRN CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000244058143 570988766 /nfs/dbraw/zinc/98/87/66/570988766.db2.gz TXDQXFQQSWJKBA-LBPRGKRZSA-N 0 0 393.270 4.384 40 0 GIABRN Cn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1 ZINC000118916026 570993846 /nfs/dbraw/zinc/99/38/46/570993846.db2.gz RIGYQZYGTOVKFZ-BOBLHAAGSA-N 0 0 384.564 4.178 40 0 GIABRN C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)CC[C@H](NC(=O)Nc3cccc(F)c3)[C@@H](C)[C@H]21 ZINC000020467358 575369249 /nfs/dbraw/zinc/36/92/49/575369249.db2.gz PZBMINLEORKGNA-WPVLZUISSA-N 0 0 388.483 4.340 40 0 biogenic,in-vitro GIABRN Cc1cc(C)nc(Nc2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)n1 ZINC000004035972 817497862 /nfs/dbraw/zinc/49/78/62/817497862.db2.gz IJLAEVKWDJNPPA-OUKQBFOZSA-N 0 0 380.473 4.250 40 0 GIABRN CCc1ccc(OCc2nnc(SCC(=O)c3ccccc3)n2CC)cc1 ZINC000006168822 817665379 /nfs/dbraw/zinc/66/53/79/817665379.db2.gz RSTRAHIAEBHJJO-UHFFFAOYSA-N 0 0 381.501 4.414 40 0 GIABRN Cc1ccccc1NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C ZINC000006302913 817674863 /nfs/dbraw/zinc/67/48/63/817674863.db2.gz CNOFWERMTUAIPU-IBGZPJMESA-N 0 0 384.476 4.044 40 0 GIABRN CC(C)/N=C1\S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1C(C)C ZINC000006325057 817676271 /nfs/dbraw/zinc/67/62/71/817676271.db2.gz DFZHWEQVKRCVHS-KDWIEBRMSA-N 0 0 398.488 4.475 40 0 GIABRN COc1ccccc1OCc1ccc(C(=O)Oc2ccc(NC(C)=O)cc2)cc1 ZINC000006363437 817682893 /nfs/dbraw/zinc/68/28/93/817682893.db2.gz IFTJNBIAAIZHBF-UHFFFAOYSA-N 0 0 391.423 4.452 40 0 GIABRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)COc2ccccc2C)c1 ZINC000006386512 817686875 /nfs/dbraw/zinc/68/68/75/817686875.db2.gz GKRNCCJJYUNGGG-UHFFFAOYSA-N 0 0 399.516 4.016 40 0 GIABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NC3CCCC3)ccc2C)c1 ZINC000006416135 817689298 /nfs/dbraw/zinc/68/92/98/817689298.db2.gz QNNBJUBJMUYWAW-UHFFFAOYSA-N 0 0 386.517 4.085 40 0 GIABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cc2c(cc1OC)CCCC2 ZINC000006439039 817692577 /nfs/dbraw/zinc/69/25/77/817692577.db2.gz YSRBXKPBOXECPP-LJQANCHMSA-N 0 0 384.501 4.342 40 0 GIABRN Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)s1 ZINC000006479085 817697292 /nfs/dbraw/zinc/69/72/92/817697292.db2.gz OQPBUZDVZXCEKT-CXUHLZMHSA-N 0 0 386.498 4.348 40 0 GIABRN CCOC(=O)C1=C(C)NC(SCc2ccc(OC)cc2)=N[C@H]1c1ccccc1 ZINC000006665726 817716254 /nfs/dbraw/zinc/71/62/54/817716254.db2.gz OQKKTGCQVWUQOV-FQEVSTJZSA-N 0 0 396.512 4.466 40 0 GIABRN COc1ccc(-c2nc(SCC(=O)Nc3ccc(C(F)F)cc3)n[nH]2)cc1 ZINC000006736651 817717357 /nfs/dbraw/zinc/71/73/57/817717357.db2.gz XFVSGHYEYFYWBO-UHFFFAOYSA-N 0 0 390.415 4.149 40 0 GIABRN CCCOc1ccc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 ZINC000006880814 817720930 /nfs/dbraw/zinc/72/09/30/817720930.db2.gz LBBQQSBAXOAGNT-UYRXBGFRSA-N 0 0 381.453 4.395 40 0 GIABRN CCc1ccc(-n2c(SCC(=O)N(CC)CC)nnc2-c2ccccc2)cc1 ZINC000006943782 817727883 /nfs/dbraw/zinc/72/78/83/817727883.db2.gz VNBDBMSGWBWIFR-UHFFFAOYSA-N 0 0 394.544 4.457 40 0 GIABRN CCOc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000006964151 817730224 /nfs/dbraw/zinc/73/02/24/817730224.db2.gz DENKKCMCDZPPQS-LFIBNONCSA-N 0 0 386.835 4.235 40 0 GIABRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(N4CCCCC4)cc3C)C2=O)c1 ZINC000006967248 817730761 /nfs/dbraw/zinc/73/07/61/817730761.db2.gz UYNSQDMEKFMVEC-PXLXIMEGSA-N 0 0 389.499 4.387 40 0 GIABRN CSc1nc2sc(C(=O)Nc3ccccc3F)cc2c(N2CCCC2)n1 ZINC000007604251 817878109 /nfs/dbraw/zinc/87/81/09/817878109.db2.gz FAKNLYDNQKDXIH-UHFFFAOYSA-N 0 0 388.493 4.405 40 0 GIABRN COc1ccc(Cl)cc1-c1nnc(Sc2ccc(C=O)cc2[N+](=O)[O-])o1 ZINC000007610269 817879308 /nfs/dbraw/zinc/87/93/08/817879308.db2.gz MKUBFHZIAXDFMP-UHFFFAOYSA-N 0 0 391.792 4.271 40 0 GIABRN O=C(Oc1cccc2cccnc21)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000007929089 817962335 /nfs/dbraw/zinc/96/23/35/817962335.db2.gz QZTSAXFAZADCEF-GOSISDBHSA-N 0 0 382.419 4.347 40 0 GIABRN O=C(Oc1ccc(Br)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000007929384 817963032 /nfs/dbraw/zinc/96/30/32/817963032.db2.gz VYOXGNKPHNWQGQ-NSHDSACASA-N 0 0 394.652 4.061 40 0 GIABRN CCc1ccc(NC(=O)CSc2nnc(COc3ccccc3C)o2)cc1 ZINC000008086193 817997197 /nfs/dbraw/zinc/99/71/97/817997197.db2.gz YTTRXUVULDRETF-UHFFFAOYSA-N 0 0 383.473 4.250 40 0 GIABRN COc1ccc(C[C@@H]2SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000008115207 818002624 /nfs/dbraw/zinc/00/26/24/818002624.db2.gz FYQOPYTVSAGKLL-KRWDZBQOSA-N 0 0 391.876 4.164 40 0 GIABRN C[C@]1(C(=O)NCC[C@@H](c2ccc(F)cc2)[C@@H]2CCOC(C)(C)C2)CCCO1 ZINC000019461078 818592623 /nfs/dbraw/zinc/59/26/23/818592623.db2.gz IDOIPAWMUBQQKH-ZWCUEREDSA-N 0 0 377.500 4.190 40 0 GIABRN COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3snnc3C)c2)cc1 ZINC000019690712 818598797 /nfs/dbraw/zinc/59/87/97/818598797.db2.gz ISUQUMGZCNZZFA-LJQANCHMSA-N 0 0 394.500 4.203 40 0 GIABRN CCn1cc(CN2CCO[C@H](c3ccc(Cc4ccccc4Cl)cn3)C2)cn1 ZINC000019686958 818598867 /nfs/dbraw/zinc/59/88/67/818598867.db2.gz VXIDIVFNGLGRDX-QFIPXVFZSA-N 0 0 396.922 4.116 40 0 GIABRN COc1cccc(-c2ccc([C@H]3CN(Cc4ccc(F)cc4)CCO3)nc2)c1 ZINC000019692571 818599288 /nfs/dbraw/zinc/59/92/88/818599288.db2.gz CVQQVYHHQQMYCS-HSZRJFAPSA-N 0 0 378.447 4.470 40 0 GIABRN CCc1cc(C(=O)N2CCO[C@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)on1 ZINC000019693611 818599923 /nfs/dbraw/zinc/59/99/23/818599923.db2.gz GDUORFPWWHNKSH-FQEVSTJZSA-N 0 0 397.862 4.166 40 0 GIABRN O=C(CCc1ccc(Cl)cc1)Nc1cccc([C@@H]2CCc3nncn3C2)c1 ZINC000019699102 818600096 /nfs/dbraw/zinc/60/00/96/818600096.db2.gz FDWUFGSMJCGLJP-QGZVFWFLSA-N 0 0 380.879 4.233 40 0 GIABRN O=C(CC1CCCCC1)N1[C@H](Cc2ccccc2)C[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712123 818602499 /nfs/dbraw/zinc/60/24/99/818602499.db2.gz CNLYRKSRUZPIJA-BHIFYINESA-N 0 0 382.548 4.228 40 0 GIABRN CC(C)(C)n1nnnc1[C@H](c1ccc(Cl)cc1)N1CCc2ccccc2C1 ZINC000020121039 818614448 /nfs/dbraw/zinc/61/44/48/818614448.db2.gz BDKJPZUOKPYOFX-IBGZPJMESA-N 0 0 381.911 4.229 40 0 GIABRN Fc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCc3ccccc3C2)cc1 ZINC000020120945 818614578 /nfs/dbraw/zinc/61/45/78/818614578.db2.gz CWZVBGKISLFJKT-JOCHJYFZSA-N 0 0 391.494 4.465 40 0 GIABRN CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@H]1C/C=C\CCCC(=O)OC(C)C ZINC000027640047 820269936 /nfs/dbraw/zinc/26/99/36/820269936.db2.gz NOHLKSJQMSPOTB-YRLDPNHWSA-N 0 0 394.552 4.118 40 0 in-vitro GIABRN CC(C)(C)OC(=O)N1CCC[C@H](CNc2nc3ccccc3nc2Cl)C1 ZINC000040434391 821159730 /nfs/dbraw/zinc/15/97/30/821159730.db2.gz YRVZVURHHYSPTM-CYBMUJFWSA-N 0 0 376.888 4.342 40 0 GIABRN O=C(c1csc2c1CCCC2)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000461969981 823776671 /nfs/dbraw/zinc/77/66/71/823776671.db2.gz VAHRIFPZEHPEHS-LLVKDONJSA-N 0 0 383.439 4.389 40 0 GIABRN COc1cccc(-c2noc(CNC(=O)c3ccc(-c4ccccc4)cc3)n2)c1 ZINC000169884393 823918040 /nfs/dbraw/zinc/91/80/40/823918040.db2.gz SZYYCXFTJAAVKR-UHFFFAOYSA-N 0 0 385.423 4.342 40 0 GIABRN COc1ccc2oc(C(=O)NCCCc3ccc(OC)c(OC)c3)c(C)c2c1 ZINC000019565640 210266428 /nfs/dbraw/zinc/26/64/28/210266428.db2.gz WAADDHWIBKGZRI-UHFFFAOYSA-N 0 0 383.444 4.130 40 0 GIABRN Cc1noc(-c2cn[nH]c2[C@H]2CCCCN2C(=O)Cc2cccc(F)c2)c1C ZINC000019557865 210264620 /nfs/dbraw/zinc/26/46/20/210264620.db2.gz BKJZQPBADQPESH-GOSISDBHSA-N 0 0 382.439 4.117 40 0 GIABRN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccncc1 ZINC000019559026 210263729 /nfs/dbraw/zinc/26/37/29/210263729.db2.gz JCJLVDYRGMXZSY-QGZVFWFLSA-N 0 0 382.851 4.111 40 0 GIABRN CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)C2CCC2)C1 ZINC000019528832 210258928 /nfs/dbraw/zinc/25/89/28/210258928.db2.gz QYYJANLECZPDEH-HSZRJFAPSA-N 0 0 396.556 4.113 40 0 GIABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)cc2N1 ZINC000019520657 210255266 /nfs/dbraw/zinc/25/52/66/210255266.db2.gz DKTXMWJFWBILHC-BFYDXBDKSA-N 0 0 398.473 4.477 40 0 GIABRN CCCC(=O)N1CC[C@@](Cc2cccc(-c3cccs3)c2)(C(=O)NCC)C1 ZINC000019501042 210254157 /nfs/dbraw/zinc/25/41/57/210254157.db2.gz VILYDEKAYZSBSO-QFIPXVFZSA-N 0 0 384.545 4.113 40 0 GIABRN CCC[C@@H](NC(=O)c1[nH]nc(-c2ccccc2)c1C)c1ccc2c(c1)OCCO2 ZINC000019501838 210254018 /nfs/dbraw/zinc/25/40/18/210254018.db2.gz VMQZTZCQNTUUKB-GOSISDBHSA-N 0 0 391.471 4.428 40 0 GIABRN CCCC(=O)N1CC[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)NCC)C1 ZINC000019501029 210254025 /nfs/dbraw/zinc/25/40/25/210254025.db2.gz KWCUICHDVXJCBF-JOCHJYFZSA-N 0 0 384.545 4.113 40 0 GIABRN CCC[C@@H](C(=O)Nc1nc(-c2cnn(CC)c2C)cs1)n1nc(C)cc1C ZINC000019501830 210254073 /nfs/dbraw/zinc/25/40/73/210254073.db2.gz DOFCZUPPEFYVKI-KRWDZBQOSA-N 0 0 386.525 4.128 40 0 GIABRN CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1[C@H](C)Oc1ccccc1 ZINC000008090390 230860681 /nfs/dbraw/zinc/86/06/81/230860681.db2.gz AROYGLKZISVXJC-INIZCTEOSA-N 0 0 396.516 4.477 40 0 GIABRN CC(C)c1nc2ccc(NC(=O)c3ccc(CN4CCOCC4)o3)cc2s1 ZINC000019453855 210251418 /nfs/dbraw/zinc/25/14/18/210251418.db2.gz WMWLXIIKCFVVOD-UHFFFAOYSA-N 0 0 385.489 4.097 40 0 GIABRN C[C@@H](NC(=O)c1ccc(CN2CCOCC2)o1)c1cc2cc(Cl)ccc2o1 ZINC000019458593 210250086 /nfs/dbraw/zinc/25/00/86/210250086.db2.gz GXYXBNMMCBPFFF-CYBMUJFWSA-N 0 0 388.851 4.002 40 0 GIABRN O=C(c1ccc(Cl)cc1)N(CN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000059502232 230946194 /nfs/dbraw/zinc/94/61/94/230946194.db2.gz ZUDGDHQQRJZYIR-UHFFFAOYSA-N 0 0 390.826 4.241 40 0 GIABRN CCn1c(SCC(=O)Nc2cccc(F)c2C)nnc1-c1ccccc1C ZINC000175346700 231028107 /nfs/dbraw/zinc/02/81/07/231028107.db2.gz OYYVWPWIJCTSCL-UHFFFAOYSA-N 0 0 384.480 4.452 40 0 GIABRN Cc1cc(=O)n2c(n1)NC(Nc1ccc(C)c(C)c1)=N[C@@H]2c1cccc(Cl)c1 ZINC000105330320 231017354 /nfs/dbraw/zinc/01/73/54/231017354.db2.gz OIYKBXGIRRXCTQ-IBGZPJMESA-N 0 0 393.878 4.262 40 0 GIABRN Cc1ccc(OCCOc2ccc(Cl)cc2C=C2SC(=O)NC2=O)cc1 ZINC000113830677 231022908 /nfs/dbraw/zinc/02/29/08/231022908.db2.gz QSKVIIJZZWNRCH-GZTJUZNOSA-N 0 0 389.860 4.430 40 0 GIABRN CC(C)Oc1cccc(NC(=O)C2CCN(c3ncnc4ccccc43)CC2)c1 ZINC000019450951 210248793 /nfs/dbraw/zinc/24/87/93/210248793.db2.gz HPKIYMGKRTZTHL-UHFFFAOYSA-N 0 0 390.487 4.272 40 0 GIABRN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)NC1CCCCC1 ZINC000408547141 231056053 /nfs/dbraw/zinc/05/60/53/231056053.db2.gz RUTCJEJVWRMWKG-UHFFFAOYSA-N 0 0 385.320 4.320 40 0 GIABRN Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)c1 ZINC000408544668 231056290 /nfs/dbraw/zinc/05/62/90/231056290.db2.gz IJZAZCYLJGDXRO-QGZVFWFLSA-N 0 0 388.533 4.220 40 0 GIABRN CC(=O)N1CCC[C@@](Cc2ccccc2-c2cccs2)(C(=O)NC(C)C)C1 ZINC000019448661 210248421 /nfs/dbraw/zinc/24/84/21/210248421.db2.gz PSBLRTMWWQEVEB-QFIPXVFZSA-N 0 0 384.545 4.111 40 0 GIABRN Cc1ccc(C(=O)N2N=C3CCCCC[C@@H]3[C@@H]2[C@@H](O)C(F)(F)F)c(Cl)c1 ZINC000408562787 231062569 /nfs/dbraw/zinc/06/25/69/231062569.db2.gz CFVGYSKRUDBMNY-APHBMKBZSA-N 0 0 388.817 4.332 40 0 GIABRN Cc1ccccc1CSCC(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000408562544 231062998 /nfs/dbraw/zinc/06/29/98/231062998.db2.gz AKRZNXHNYSQJRI-UHFFFAOYSA-N 0 0 382.529 4.493 40 0 GIABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC2CCCCC2)cc1 ZINC000408678641 231093150 /nfs/dbraw/zinc/09/31/50/231093150.db2.gz UFGPUXBXFKOPIV-UHFFFAOYSA-N 0 0 376.456 4.247 40 0 GIABRN Cc1cccc(C)c1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC=C(C)C[C@@H]2C1=O ZINC000408682914 231094579 /nfs/dbraw/zinc/09/45/79/231094579.db2.gz LROCWPOEHKKSKV-MJGOQNOKSA-N 0 0 388.467 4.401 40 0 GIABRN CC(C)CC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)C1 ZINC000019446204 210247406 /nfs/dbraw/zinc/24/74/06/210247406.db2.gz BVUKSHZZQHALPI-VWLOTQADSA-N 0 0 392.543 4.249 40 0 GIABRN CCn1cc(C(=O)N[C@H](C)CCc2ccccc2)c(=O)c2cc(Cl)ccc21 ZINC000408713439 231104170 /nfs/dbraw/zinc/10/41/70/231104170.db2.gz YSUIBGZJSDVSFJ-OAHLLOKOSA-N 0 0 382.891 4.426 40 0 GIABRN Cc1ccc(C)c(N2C[C@H](C(=O)Oc3ccc(Br)cc3)CC2=O)c1 ZINC000408653204 231091034 /nfs/dbraw/zinc/09/10/34/231091034.db2.gz FIAXGSPNROKQLV-CQSZACIVSA-N 0 0 388.261 4.024 40 0 GIABRN Cc1cccc(OCc2nn(CC(=O)Nc3cc(C)ccc3C)c(=S)o2)c1 ZINC000409153548 231172365 /nfs/dbraw/zinc/17/23/65/231172365.db2.gz LRWWNQHUWHFAMT-UHFFFAOYSA-N 0 0 383.473 4.349 40 0 GIABRN O=C(CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)Nc1ccc(Cl)cc1 ZINC000409159790 231172798 /nfs/dbraw/zinc/17/27/98/231172798.db2.gz USAWXWXDONNARB-OQLLNIDSSA-N 0 0 390.823 4.154 40 0 GIABRN C[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1ccc(C(C)(C)C)cc1)N2 ZINC000409062453 231153527 /nfs/dbraw/zinc/15/35/27/231153527.db2.gz VECAZDKWKKNVBU-KPAZRMRSSA-N 0 0 382.426 4.483 40 0 GIABRN O=C(NCc1nnc(-c2cccs2)o1)C(c1ccccc1)c1ccccc1 ZINC000019369510 210244801 /nfs/dbraw/zinc/24/48/01/210244801.db2.gz USJDFCRJTVKYKO-UHFFFAOYSA-N 0 0 375.453 4.246 40 0 GIABRN COCCn1c(SCCOc2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000409105643 231161448 /nfs/dbraw/zinc/16/14/48/231161448.db2.gz NRXCWGRBNXOHTR-UHFFFAOYSA-N 0 0 389.908 4.416 40 0 GIABRN O=Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3)cc2)o1 ZINC000409171913 231174387 /nfs/dbraw/zinc/17/43/87/231174387.db2.gz DHXCIWUXTHMLIN-UHFFFAOYSA-N 0 0 383.787 4.208 40 0 GIABRN Cc1ccc(OCc2nn(CC(=O)Nc3ccc(Cl)cc3)c(=S)o2)cc1 ZINC000409175065 231174724 /nfs/dbraw/zinc/17/47/24/231174724.db2.gz YZQNVHXOLXQNSY-UHFFFAOYSA-N 0 0 389.864 4.385 40 0 GIABRN Cn1c2c(s/c1=N\C(=O)C13CC4CC(CC(C4)C1)C3)CCc1ccccc1-2 ZINC000409194339 231177083 /nfs/dbraw/zinc/17/70/83/231177083.db2.gz AVPWETXMEJJPRI-GYHWCHFESA-N 0 0 378.541 4.496 40 0 GIABRN O=C(Nc1nc(-c2ccc3c(c2)CCCO3)cs1)c1ccc2oc(=O)[nH]c2c1 ZINC000019346396 210244410 /nfs/dbraw/zinc/24/44/10/210244410.db2.gz HVTKFUVPGSSRHL-UHFFFAOYSA-N 0 0 393.424 4.234 40 0 GIABRN O=C1NC(=Cc2ccccc2Br)C(=O)N1c1ccc(Cl)cc1 ZINC000409220527 231183430 /nfs/dbraw/zinc/18/34/30/231183430.db2.gz BAVAOEJZLHCMMM-NTEUORMPSA-N 0 0 377.625 4.200 40 0 GIABRN CCn1c(SCc2ccc(F)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000409339272 231191591 /nfs/dbraw/zinc/19/15/91/231191591.db2.gz GNVXMMIKOKLMDO-CQSZACIVSA-N 0 0 384.480 4.220 40 0 GIABRN Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3F)o2)cc1C ZINC000409386723 231199129 /nfs/dbraw/zinc/19/91/29/231199129.db2.gz XAJUBNQJTSYPSJ-UHFFFAOYSA-N 0 0 387.436 4.135 40 0 GIABRN O=C(Nc1cccc(F)c1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000409408351 231201638 /nfs/dbraw/zinc/20/16/38/231201638.db2.gz BZYDZZWDIXEBEH-OAQYLSRUSA-N 0 0 396.443 4.445 40 0 GIABRN COc1ccc(/C=C/C(=O)Nc2ccc(C(F)(F)F)cc2)c(OC)c1OC ZINC000409410781 231201745 /nfs/dbraw/zinc/20/17/45/231201745.db2.gz PUYSTYUAQTUJSX-VZUCSPMQSA-N 0 0 381.350 4.383 40 0 GIABRN O=C(N[C@@H](c1ccc(Cl)cc1)c1cccnc1)c1ccc(Cn2ccnc2)o1 ZINC000019338198 210241748 /nfs/dbraw/zinc/24/17/48/210241748.db2.gz FNJHWJIQQWJRMX-FQEVSTJZSA-N 0 0 392.846 4.092 40 0 GIABRN O=C(NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)[C@@H]1CC=CCC1 ZINC000019340455 210241090 /nfs/dbraw/zinc/24/10/90/210241090.db2.gz XBITYJQYZBOMMQ-GOSISDBHSA-N 0 0 390.462 4.224 40 0 GIABRN O=C(C[C@@H]1C=CCC1)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1 ZINC000019340486 210241141 /nfs/dbraw/zinc/24/11/41/210241141.db2.gz AOAWFYQWYJJQKE-QGZVFWFLSA-N 0 0 390.462 4.224 40 0 GIABRN Cc1nccn1Cc1ccccc1C(=O)N1CCc2c3ccccc3[nH]c2[C@H]1C ZINC000019288236 210238510 /nfs/dbraw/zinc/23/85/10/210238510.db2.gz QJCBKKCPIVIYAH-MRXNPFEDSA-N 0 0 384.483 4.481 40 0 GIABRN Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)c3c(F)cccc3F)C2)n1 ZINC000019286817 210237682 /nfs/dbraw/zinc/23/76/82/210237682.db2.gz MKVFMFQRXAWSPO-MRXNPFEDSA-N 0 0 394.425 4.145 40 0 GIABRN COc1cc2c(cc1OC)[C@@H](c1ccccc1F)N(Cc1cnc(C)nc1)CC2 ZINC000019287255 210236989 /nfs/dbraw/zinc/23/69/89/210236989.db2.gz VMWSNAHCZIOXOE-HSZRJFAPSA-N 0 0 393.462 4.089 40 0 GIABRN COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)n2c(C)nc3ccccc32)c(OC)c1 ZINC000019286641 210237070 /nfs/dbraw/zinc/23/70/70/210237070.db2.gz PMJUEGVCEFEMJS-FOIQADDNSA-N 0 0 393.487 4.287 40 0 GIABRN CCc1ccccc1NCc1cc(I)c(O)c(OC)c1 ZINC000409113303 529601017 /nfs/dbraw/zinc/60/10/17/529601017.db2.gz FLTLDYSLFFQXGG-UHFFFAOYSA-N 0 0 383.229 4.180 40 0 GIABRN Cc1ccccc1-c1cccc(C[C@@H]2CN(C(=O)c3ccccc3)CCNC2=O)c1 ZINC000019237472 210235122 /nfs/dbraw/zinc/23/51/22/210235122.db2.gz XZUBSYZLEZGDLF-HSZRJFAPSA-N 0 0 398.506 4.093 40 0 GIABRN Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCCN1C(=O)C1CCCC1 ZINC000019239680 210234739 /nfs/dbraw/zinc/23/47/39/210234739.db2.gz YZWGVYAHMAKROH-HXUWFJFHSA-N 0 0 393.535 4.157 40 0 GIABRN Cc1noc(-c2cn[nH]c2[C@H]2CCCCN2C(=O)Cc2cccc(C)c2)c1C ZINC000019234725 210233725 /nfs/dbraw/zinc/23/37/25/210233725.db2.gz CGERCUZDESPZIZ-LJQANCHMSA-N 0 0 378.476 4.286 40 0 GIABRN CCc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)cc1 ZINC000408564542 529689073 /nfs/dbraw/zinc/68/90/73/529689073.db2.gz ZIQQASHKSOVIDZ-UHFFFAOYSA-N 0 0 387.505 4.068 40 0 GIABRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4ccnn4C)C3)c(-c3ccncc3)c2c1 ZINC000019220303 210230515 /nfs/dbraw/zinc/23/05/15/210230515.db2.gz BKPASTKDFUIXFS-GOSISDBHSA-N 0 0 399.498 4.292 40 0 GIABRN Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)C3CCCCC3)CC1)N2 ZINC000019128541 210227976 /nfs/dbraw/zinc/22/79/76/210227976.db2.gz DGLOCNGYWXJDMH-DLBZAZTESA-N 0 0 398.473 4.298 40 0 GIABRN Cc1cc2nc([C@H]3CCCN3C(=O)CCn3ncc4ccccc43)[nH]c2cc1C ZINC000019125342 210227365 /nfs/dbraw/zinc/22/73/65/210227365.db2.gz BRYLULOMADMRQD-OAQYLSRUSA-N 0 0 387.487 4.283 40 0 GIABRN Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)c(C)c1 ZINC000019132665 210226919 /nfs/dbraw/zinc/22/69/19/210226919.db2.gz MPJOBHHDQVHSQN-KRWDZBQOSA-N 0 0 377.488 4.353 40 0 GIABRN CC(C)(C)C(=O)N1CCC[C@@](Cc2ccc(-c3ccccc3F)cc2)(C(N)=O)C1 ZINC000019081134 210225144 /nfs/dbraw/zinc/22/51/44/210225144.db2.gz OTIYZNUIELRRKP-DEOSSOPVSA-N 0 0 396.506 4.175 40 0 GIABRN CC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000004314606 290687599 /nfs/dbraw/zinc/68/75/99/290687599.db2.gz XEFQRGKUCOMYSC-FOWBGHGSSA-N 0 0 388.548 4.399 40 0 biogenic,in-vitro GIABRN O=C(NC(c1ccccc1)c1ccccc1)c1ccc(CN2CCCC2=O)cc1 ZINC000018116494 210214751 /nfs/dbraw/zinc/21/47/51/210214751.db2.gz JVNJCIUPPJKHQR-UHFFFAOYSA-N 0 0 384.479 4.328 40 0 GIABRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000018060210 210213441 /nfs/dbraw/zinc/21/34/41/210213441.db2.gz QKTVQSXOOWUXFK-ZCNNSNEGSA-N 0 0 390.464 4.108 40 0 GIABRN O=C(Cn1nc(C2CCCCC2)n(-n2cccc2)c1=S)Nc1ccccc1F ZINC000016807210 210196849 /nfs/dbraw/zinc/19/68/49/210196849.db2.gz FMLWBZJCRFTPHC-UHFFFAOYSA-N 0 0 399.495 4.352 40 0 GIABRN CC(=O)n1c(-c2ccc(C)cc2)nc2c1SC(c1ccccc1)=NN2C(C)=O ZINC000016777572 210196159 /nfs/dbraw/zinc/19/61/59/210196159.db2.gz SVRYNEXMRMQMTQ-UHFFFAOYSA-N 0 0 390.468 4.339 40 0 GIABRN COc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 ZINC000016505591 210190271 /nfs/dbraw/zinc/19/02/71/210190271.db2.gz DPQDVSKZLPQYQQ-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN O=C(Cc1ccc(Cl)cc1F)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000223956342 222646232 /nfs/dbraw/zinc/64/62/32/222646232.db2.gz MJAUNEHEKHQLJG-UHFFFAOYSA-N 0 0 380.206 4.041 40 0 GIABRN S=C(NCCCc1ccccc1)Nc1ncc(Br)cc1Cl ZINC000223960230 222647375 /nfs/dbraw/zinc/64/73/75/222647375.db2.gz SQNZWCGBEMBQSQ-UHFFFAOYSA-N 0 0 384.730 4.417 40 0 GIABRN Cc1cccc(NC(=O)c2cnn(C)c2C(=O)Nc2cccc(C)c2C)c1C ZINC000036617954 210155366 /nfs/dbraw/zinc/15/53/66/210155366.db2.gz YEXFDZRWFONYJP-UHFFFAOYSA-N 0 0 376.460 4.158 40 0 GIABRN CN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000409191395 530045750 /nfs/dbraw/zinc/04/57/50/530045750.db2.gz GLZGKEFIPDHVPJ-LZYBPNLTSA-N 0 0 377.227 4.095 40 0 GIABRN CN1CCN(C(=S)c2cccc(OCc3ccc(Cl)cc3Cl)c2)CC1 ZINC000408578862 530070031 /nfs/dbraw/zinc/07/00/31/530070031.db2.gz ZYUIFAQCVFJMNS-UHFFFAOYSA-N 0 0 395.355 4.495 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(I)cc1 ZINC000014022408 210098962 /nfs/dbraw/zinc/09/89/62/210098962.db2.gz WKFHLGDFBORILP-MRXNPFEDSA-N 0 0 395.240 4.396 40 0 GIABRN C[C@H](Oc1cccc2ccccc21)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000013709145 210081111 /nfs/dbraw/zinc/08/11/11/210081111.db2.gz NILNVOJYKSKRQF-KRWDZBQOSA-N 0 0 378.447 4.095 40 0 GIABRN CCc1cccc(C)c1NC(=O)[C@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713589 210083403 /nfs/dbraw/zinc/08/34/03/210083403.db2.gz NZXCXDJWILPYAT-IBGZPJMESA-N 0 0 388.533 4.049 40 0 GIABRN CCCCc1ccc(NC(=O)[C@H](CC)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000013711579 210083197 /nfs/dbraw/zinc/08/31/97/210083197.db2.gz FSPFAYDNNHQTSQ-FQEVSTJZSA-N 0 0 388.533 4.213 40 0 GIABRN O=C(Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)N1CCCC1 ZINC000013714211 210082919 /nfs/dbraw/zinc/08/29/19/210082919.db2.gz AKPHMXPILKLPHH-UHFFFAOYSA-N 0 0 377.271 4.411 40 0 GIABRN CC[C@H](C(=O)Nc1ccccc1Cl)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716118 210082622 /nfs/dbraw/zinc/08/26/22/210082622.db2.gz HORCVMBFIRBDML-GOSISDBHSA-N 0 0 394.924 4.140 40 0 GIABRN CCc1ccc(NC(=O)[C@@H](CC)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000013712091 210082380 /nfs/dbraw/zinc/08/23/80/210082380.db2.gz OOJURQZANVNJMD-GOSISDBHSA-N 0 0 394.924 4.086 40 0 GIABRN CC[C@H](C(=O)NC1CCCCCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716779 210082394 /nfs/dbraw/zinc/08/23/94/210082394.db2.gz WFBNCBLFJJXALV-HXUWFJFHSA-N 0 0 394.581 4.077 40 0 GIABRN CCOc1ccc([C@@H](C)NS(=O)(=O)Cc2cccc(Cl)c2)cc1OCC ZINC000013669744 210076792 /nfs/dbraw/zinc/07/67/92/210076792.db2.gz DMYULOJYMKAWPC-CQSZACIVSA-N 0 0 397.924 4.318 40 0 GIABRN CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013649827 210075989 /nfs/dbraw/zinc/07/59/89/210075989.db2.gz SWSLKGDBRQHHKA-HNNXBMFYSA-N 0 0 388.533 4.237 40 0 GIABRN O=C1C[C@H](c2cccs2)Cc2nc3nc(-c4ccc(Cl)cc4)nn3cc21 ZINC000013634361 210073736 /nfs/dbraw/zinc/07/37/36/210073736.db2.gz OTTIEXUHFMFBSJ-GFCCVEGCSA-N 0 0 380.860 4.419 40 0 GIABRN Cc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)CC4CCCC4)CC3)cc2n1 ZINC000013225741 210055345 /nfs/dbraw/zinc/05/53/45/210055345.db2.gz GSSANVBZFGMITN-UHFFFAOYSA-N 0 0 394.441 4.343 40 0 GIABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)C4CCCCC4)C3)cc2n1 ZINC000013225518 210055429 /nfs/dbraw/zinc/05/54/29/210055429.db2.gz VMNXFTDQMWIMRS-HNNXBMFYSA-N 0 0 394.441 4.343 40 0 GIABRN Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H]1CCCN1C(=O)C(C)(C)C ZINC000012338000 209943579 /nfs/dbraw/zinc/94/35/79/209943579.db2.gz JQLNTIZLXFYKNH-CQSZACIVSA-N 0 0 394.437 4.366 40 0 GIABRN Cc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)sc1C ZINC000012255905 209926741 /nfs/dbraw/zinc/92/67/41/209926741.db2.gz BKVPCAUYJXBXTO-INIZCTEOSA-N 0 0 393.512 4.032 40 0 GIABRN CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)CCc2ccccc2)C1 ZINC000012238434 209926128 /nfs/dbraw/zinc/92/61/28/209926128.db2.gz IKCWWJCMSQTCEV-HXUWFJFHSA-N 0 0 386.499 4.301 40 0 GIABRN O=C(c1cc2cccc(F)c2[nH]1)N1CCC[C@H]([C@@H]2CC(=O)c3ccccc3O2)C1 ZINC000012237020 209924780 /nfs/dbraw/zinc/92/47/80/209924780.db2.gz OYSMCDZFGNTWMJ-BTYIYWSLSA-N 0 0 392.430 4.193 40 0 GIABRN CC(C)C(=O)N1CCCc2cc(-c3csc(NC[C@@H]4CCCO4)n3)ccc21 ZINC000012220068 209923797 /nfs/dbraw/zinc/92/37/97/209923797.db2.gz RENORBDJNICKQM-KRWDZBQOSA-N 0 0 385.533 4.336 40 0 GIABRN C[C@@H](C(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21)c1ccccc1 ZINC000012220869 209923082 /nfs/dbraw/zinc/92/30/82/209923082.db2.gz YRAZIAADJLTQPK-IIBYNOLFSA-N 0 0 386.499 4.472 40 0 GIABRN O=C(c1cccc2ncccc21)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 ZINC000012117186 209910154 /nfs/dbraw/zinc/91/01/54/209910154.db2.gz JDPVJHBRJJFWJR-GOSISDBHSA-N 0 0 395.466 4.107 40 0 GIABRN Nc1cc2ccccc2nc1[C@H]1CCCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC000012088044 209906127 /nfs/dbraw/zinc/90/61/27/209906127.db2.gz CODKNOHMBMEZPH-KRWDZBQOSA-N 0 0 389.474 4.394 40 0 GIABRN CCOc1ccc(CC(=O)N2CCC(c3nc4ccccc4cc3N)CC2)cc1 ZINC000012087785 209905442 /nfs/dbraw/zinc/90/54/42/209905442.db2.gz UMAKDXVZOKNUMC-UHFFFAOYSA-N 0 0 389.499 4.164 40 0 GIABRN Cc1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C(N)=O)CCCCC2 ZINC000006203004 209637297 /nfs/dbraw/zinc/63/72/97/209637297.db2.gz KBDAKLCCJFBASY-UHFFFAOYSA-N 0 0 392.908 4.095 40 0 GIABRN COc1ccc(NC(=S)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(OC)c1 ZINC000035310807 209628609 /nfs/dbraw/zinc/62/86/09/209628609.db2.gz GXWOUJCFTXTAOJ-CQSZACIVSA-N 0 0 396.516 4.157 40 0 GIABRN CCCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1 ZINC000005671944 209607876 /nfs/dbraw/zinc/60/78/76/209607876.db2.gz ZUWIPCXCTITEAX-UHFFFAOYSA-N 0 0 381.213 4.332 40 0 GIABRN O=C(COc1ccc2ccccc2c1Br)NCCc1ccccc1 ZINC000003606078 209448426 /nfs/dbraw/zinc/44/84/26/209448426.db2.gz JHNICFUWZHICEZ-UHFFFAOYSA-N 0 0 384.273 4.340 40 0 GIABRN Clc1cc(Br)c(I)c(Br)c1 ZINC000002545236 209369654 /nfs/dbraw/zinc/36/96/54/209369654.db2.gz WFVPWFNVEFAMRM-UHFFFAOYSA-N 0 0 396.247 4.470 40 0 GIABRN COCCOC(=O)c1ccc(NC(=O)COc2ccc(C)cc2C(C)(C)C)cc1 ZINC000001891440 209341272 /nfs/dbraw/zinc/34/12/72/209341272.db2.gz VWIOINZUULMFEB-UHFFFAOYSA-N 0 0 399.487 4.113 40 0 GIABRN O=C(OCC(F)(F)F)c1cc2ccccc2cc1C(=O)OCC(F)(F)F ZINC000001712005 209336703 /nfs/dbraw/zinc/33/67/03/209336703.db2.gz IJWZIVHUSBPOJE-UHFFFAOYSA-N 0 0 380.240 4.278 40 0 GIABRN Cc1nn(-c2ccccc2)c(C)c1/C=C1/N=C(c2ccccc2Cl)OC1=O ZINC000001413610 209326931 /nfs/dbraw/zinc/32/69/31/209326931.db2.gz MAVSJSCVNVDGNM-XDHOZWIPSA-N 0 0 377.831 4.487 40 0 GIABRN CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2c(C)cccc2C)c1 ZINC000001343684 209320283 /nfs/dbraw/zinc/32/02/83/209320283.db2.gz BDXXGXDYUIOMHH-LJQANCHMSA-N 0 0 379.460 4.141 40 0 GIABRN Cc1ccc2cc(CN(Cc3ccccc3)C(=S)NCC(C)C)c(=O)[nH]c2c1 ZINC000000883238 209275439 /nfs/dbraw/zinc/27/54/39/209275439.db2.gz JLDWGSWSHAKORB-UHFFFAOYSA-N 0 0 393.556 4.369 40 0 GIABRN Cc1ccc(C(=O)CSc2nnc(CNc3c(C)cccc3C)n2C)cc1 ZINC000000878192 209275869 /nfs/dbraw/zinc/27/58/69/209275869.db2.gz BGFSYUSOVRMSLK-UHFFFAOYSA-N 0 0 380.517 4.327 40 0 GIABRN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1ncnc2sc3c(c21)CCCC3 ZINC000000886407 209275788 /nfs/dbraw/zinc/27/57/88/209275788.db2.gz NWBLDMSIYMSGCA-CHWSQXEVSA-N 0 0 375.563 4.452 40 0 GIABRN Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccc(F)cc3)o2)c1 ZINC000000876041 209273929 /nfs/dbraw/zinc/27/39/29/209273929.db2.gz CLQGFSJBUDTJTI-UHFFFAOYSA-N 0 0 387.436 4.135 40 0 GIABRN Cc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000000835449 209270244 /nfs/dbraw/zinc/27/02/44/209270244.db2.gz DRPZWFXFYWNJNC-UHFFFAOYSA-N 0 0 380.469 4.072 40 0 GIABRN CCCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccncc1 ZINC000000796389 209266164 /nfs/dbraw/zinc/26/61/64/209266164.db2.gz OYCJHXAGYLITOM-UHFFFAOYSA-N 0 0 381.505 4.098 40 0 GIABRN COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4cc(C)cc(C)c4o3)c2)C1 ZINC000045887567 209194624 /nfs/dbraw/zinc/19/46/24/209194624.db2.gz PFGWWSZGESVRNI-CYBMUJFWSA-N 0 0 398.846 4.291 40 0 GIABRN CC(C)N1C[C@@H](C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)CC1=O ZINC000035322751 209192137 /nfs/dbraw/zinc/19/21/37/209192137.db2.gz VBCSBARDCKTRID-HNNXBMFYSA-N 0 0 379.485 4.159 40 0 GIABRN COc1ccc(/C=C/c2nnc(N)o2)cc1OCc1ccc(F)cc1Cl ZINC000216906980 209182307 /nfs/dbraw/zinc/18/23/07/209182307.db2.gz BCTJPIVRQXNUPJ-XVNBXDOJSA-N 0 0 375.787 4.202 40 0 GIABRN Cc1cccc(OCCCC(=O)Nc2ccc(I)cc2)c1 ZINC000001775864 212061519 /nfs/dbraw/zinc/06/15/19/212061519.db2.gz PZNACCFOWQJTGA-UHFFFAOYSA-N 0 0 395.240 4.397 40 0 GIABRN CC1=Nc2ncnn2[C@H](c2ccc(Cl)c(Cl)c2)C1C(=O)OCC(C)C ZINC000000959070 212060314 /nfs/dbraw/zinc/06/03/14/212060314.db2.gz PAMJDVQFUZHIIJ-OAHLLOKOSA-N 0 0 381.263 4.073 40 0 GIABRN Nc1cccc(Cl)c1N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000072230248 212059884 /nfs/dbraw/zinc/05/98/84/212059884.db2.gz IXBUYERTFHPTES-UHFFFAOYSA-N 0 0 384.694 4.191 40 0 GIABRN Cc1nc2[nH]c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nc2cc1Br ZINC000071257620 212056364 /nfs/dbraw/zinc/05/63/64/212056364.db2.gz QAFMUYFZRGVMAX-NSHDSACASA-N 0 0 395.301 4.143 40 0 GIABRN CC(=O)N[C@@H]1CCCC[C@@]12CN(Cc1csc3ccc(Cl)cc13)CCO2 ZINC000306139102 212052394 /nfs/dbraw/zinc/05/23/94/212052394.db2.gz SPIDTRYOCVOXPE-WOJBJXKFSA-N 0 0 392.952 4.204 40 0 GIABRN CNc1ncc(-c2nc(C(=O)NCc3ccc(Cl)cc3)c3ccccn32)s1 ZINC000306136021 212051810 /nfs/dbraw/zinc/05/18/10/212051810.db2.gz PGUGEFYLVGONDI-UHFFFAOYSA-N 0 0 397.891 4.083 40 0 GIABRN CN(Cc1cccc(F)c1)[C@@H]1CCCn2c1cnc2C(=O)N(C)C1CCCCC1 ZINC000306136392 212050887 /nfs/dbraw/zinc/05/08/87/212050887.db2.gz PSHIGABFRAITIV-HXUWFJFHSA-N 0 0 398.526 4.394 40 0 GIABRN Cn1nc(-c2ccccc2)c2c1[C@H](c1ccccc1)CN(C(=O)c1ccco1)C2 ZINC000306125637 212044814 /nfs/dbraw/zinc/04/48/14/212044814.db2.gz CWPKOMWQPABIHO-IBGZPJMESA-N 0 0 383.451 4.468 40 0 GIABRN CC(C)(C)CNc1cc(-c2c[nH]nc2[C@H]2CCN(C(=O)C3CCC3)C2)ccn1 ZINC000257342400 212028354 /nfs/dbraw/zinc/02/83/54/212028354.db2.gz ZOJZSWQVNSXKEM-KRWDZBQOSA-N 0 0 381.524 4.046 40 0 GIABRN Cc1nc(CN2CCO[C@]3(CO[C@@H](c4ccccc4)[C@H](C(C)C)C3)C2)cs1 ZINC000257330537 212025721 /nfs/dbraw/zinc/02/57/21/212025721.db2.gz XOUYHZIAFWDPTJ-FKBYEOEOSA-N 0 0 386.561 4.456 40 0 GIABRN COCCC(=O)N[C@@]1(C)C[C@H](c2c(F)cccc2OC)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257333592 212025533 /nfs/dbraw/zinc/02/55/33/212025533.db2.gz YCFANUASSDYOBN-VEASHMQKSA-N 0 0 393.499 4.012 40 0 GIABRN COc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)C(C)C)c1O ZINC000257314291 212024738 /nfs/dbraw/zinc/02/47/38/212024738.db2.gz UWFOUWRYPKDPFW-YFHVCWELSA-N 0 0 387.520 4.055 40 0 GIABRN Cc1noc(C)c1-c1cc([C@H]2CCCN2C(=O)/C=C/c2ccccc2)nc(C)n1 ZINC000257317002 212024083 /nfs/dbraw/zinc/02/40/83/212024083.db2.gz VHXPKPKLPOCXBV-RJRNSMGGSA-N 0 0 388.471 4.434 40 0 GIABRN CCC(=O)N1CCO[C@@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 ZINC000257335651 212027368 /nfs/dbraw/zinc/02/73/68/212027368.db2.gz YLEXBHBVHVLXCC-GOSISDBHSA-N 0 0 378.394 4.001 40 0 GIABRN O=C(c1ncccc1O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257314771 212023856 /nfs/dbraw/zinc/02/38/56/212023856.db2.gz UYJSBOZMKMBFMU-OAHLLOKOSA-N 0 0 397.862 4.039 40 0 GIABRN CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)CC3CCCCC3)CCO2)n1 ZINC000257307852 212022683 /nfs/dbraw/zinc/02/26/83/212022683.db2.gz TUJWXHMGEKCHDW-NRFANRHFSA-N 0 0 397.519 4.478 40 0 GIABRN COc1ccc(C(=O)N2CCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)cn1 ZINC000257305333 212021669 /nfs/dbraw/zinc/02/16/69/212021669.db2.gz SPLSHPMIGBGVOA-SFHVURJKSA-N 0 0 397.862 4.300 40 0 GIABRN CC1(c2ncc(Cc3cccc(F)c3)o2)CCN(C(=O)c2cncs2)CC1 ZINC000257306362 212021467 /nfs/dbraw/zinc/02/14/67/212021467.db2.gz STZUYCSXVSZDAG-UHFFFAOYSA-N 0 0 385.464 4.055 40 0 GIABRN Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCCN2Cc2ncccc2F)n1 ZINC000257296498 212020486 /nfs/dbraw/zinc/02/04/86/212020486.db2.gz RDCXFWPQTCHOCX-IBGZPJMESA-N 0 0 381.455 4.318 40 0 GIABRN Cc1ncsc1C(=O)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257302057 212020545 /nfs/dbraw/zinc/02/05/45/212020545.db2.gz SBFIQMOZRHJDET-HNNXBMFYSA-N 0 0 385.464 4.189 40 0 GIABRN CNc1nccnc1[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000257303073 212019065 /nfs/dbraw/zinc/01/90/65/212019065.db2.gz SFRBUVCQIDSREQ-HXUWFJFHSA-N 0 0 388.471 4.221 40 0 GIABRN CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000257285202 212018656 /nfs/dbraw/zinc/01/86/56/212018656.db2.gz PGBSMIVOEXDMFY-DHIUTWEWSA-N 0 0 392.499 4.027 40 0 GIABRN O=C(COc1ccccc1)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257273543 212014675 /nfs/dbraw/zinc/01/46/75/212014675.db2.gz NHBNICDJEIJULX-FQEVSTJZSA-N 0 0 380.419 4.147 40 0 GIABRN O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)cc1 ZINC000257265428 212014223 /nfs/dbraw/zinc/01/42/23/212014223.db2.gz LYPOKOCFSCIRHT-IBGZPJMESA-N 0 0 394.446 4.482 40 0 GIABRN Cc1ncc(CN2CCO[C@H](c3cccc(Cc4ccccc4F)n3)C2)s1 ZINC000257267180 212014309 /nfs/dbraw/zinc/01/43/09/212014309.db2.gz MGFXCMUAJMUYIC-NRFANRHFSA-N 0 0 383.492 4.150 40 0 GIABRN O=C(c1cnccn1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257278183 212015598 /nfs/dbraw/zinc/01/55/98/212015598.db2.gz OBERTFBGKOBLOC-GOSISDBHSA-N 0 0 382.851 4.076 40 0 GIABRN CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc5c(c4)OCCO5)OCC[C@@]31C2 ZINC000257281510 212015720 /nfs/dbraw/zinc/01/57/20/212015720.db2.gz OPOFVAXNQAKOIT-URWILZMRSA-N 0 0 399.531 4.257 40 0 GIABRN CCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2cccnc2)n1 ZINC000329058306 209158946 /nfs/dbraw/zinc/15/89/46/209158946.db2.gz WBWIPVZHAQZFJX-UHFFFAOYSA-N 0 0 393.800 4.230 40 0 GIABRN Cc1noc(C)c1-c1ccnc(C2CCN(C(=O)c3ncccc3C)CC2)c1 ZINC000257274671 212013930 /nfs/dbraw/zinc/01/39/30/212013930.db2.gz NMBCQIUTTAAIQT-UHFFFAOYSA-N 0 0 376.460 4.077 40 0 GIABRN CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCCN(C(=O)c4ccccc4)[C@@H]3C[C@H]21 ZINC000257274892 212013853 /nfs/dbraw/zinc/01/38/53/212013853.db2.gz NNCBIOMDCVVXEN-UKAVVXHISA-N 0 0 393.483 4.314 40 0 GIABRN CC(C)n1nccc1C(=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257261831 212013182 /nfs/dbraw/zinc/01/31/82/212013182.db2.gz LIYJKHAMFZCNPI-QGZVFWFLSA-N 0 0 396.466 4.202 40 0 GIABRN Cc1nc(C2(C)CCN(C(=O)c3cc(F)cc(F)c3)CC2)c2sccn12 ZINC000257257712 212013027 /nfs/dbraw/zinc/01/30/27/212013027.db2.gz KQUSMEKLJKEIGL-UHFFFAOYSA-N 0 0 375.444 4.176 40 0 GIABRN CCc1cccc(C)c1Nc1cc(-c2ccncc2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329040779 209158173 /nfs/dbraw/zinc/15/81/73/209158173.db2.gz SFKXKJJGZGFLNC-FQEVSTJZSA-N 0 0 391.519 4.004 40 0 GIABRN CC(C)Nc1cc(N2CCc3ccc(Br)cc3C2)nc(C2CC2)n1 ZINC000329016449 209158220 /nfs/dbraw/zinc/15/82/20/209158220.db2.gz NGPQHERDIATEJJ-UHFFFAOYSA-N 0 0 387.325 4.500 40 0 GIABRN Cc1c(Nc2cc(C(F)(F)F)nc(NC(C)C)n2)cccc1C(F)(F)F ZINC000329036960 209158285 /nfs/dbraw/zinc/15/82/85/209158285.db2.gz RLGLNPONRGVXNK-UHFFFAOYSA-N 0 0 378.320 4.230 40 0 GIABRN COC(C)(C)C(=O)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257255368 212012413 /nfs/dbraw/zinc/01/24/13/212012413.db2.gz KHEGDUFODOMICB-OAHLLOKOSA-N 0 0 376.884 4.050 40 0 GIABRN Fc1cccc(F)c1Nc1cc(-c2cccnc2)nc(NC2CCCCC2)n1 ZINC000329071500 209161675 /nfs/dbraw/zinc/16/16/75/209161675.db2.gz ZQKNMOLZHODHPE-UHFFFAOYSA-N 0 0 381.430 4.149 40 0 GIABRN CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)cc4O)OCC[C@@]31C2 ZINC000257251394 212011347 /nfs/dbraw/zinc/01/13/47/212011347.db2.gz JQOCZTCCEHTVMR-OJEZNDAVSA-N 0 0 387.520 4.200 40 0 GIABRN Cc1cc(Nc2cc(-c3ccccn3)nc(N[C@@H](CO)C(C)C)n2)ccc1F ZINC000329065684 209160286 /nfs/dbraw/zinc/16/02/86/209160286.db2.gz XTQGMYJDUSKEBO-IBGZPJMESA-N 0 0 381.455 4.159 40 0 GIABRN C[C@H](O)c1ccc2c(c1)CCN(c1ccnc(Nc3cccc(Cl)c3)n1)C2 ZINC000329056739 209159835 /nfs/dbraw/zinc/15/98/35/209159835.db2.gz VUJPURFBHQEURV-AWEZNQCLSA-N 0 0 380.879 4.490 40 0 GIABRN O=C(c1nccc2ccccc21)N1C[C@@H]2CC[C@H](Oc3cccc(F)c3)[C@@H]2C1 ZINC000257240902 212009616 /nfs/dbraw/zinc/00/96/16/212009616.db2.gz HVQVLJWUSQOTNZ-DQLDELGASA-N 0 0 376.431 4.304 40 0 GIABRN CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccc(F)cc1)CN(Cc1ccncc1)CCO2 ZINC000257242520 212008999 /nfs/dbraw/zinc/00/89/99/212008999.db2.gz ICXQLZGAHPVJTC-VABKMULXSA-N 0 0 384.495 4.226 40 0 GIABRN CNc1nc(Nc2ccc(F)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329057817 209159384 /nfs/dbraw/zinc/15/93/84/209159384.db2.gz WAAXJDGOZHKOAO-UHFFFAOYSA-N 0 0 378.329 4.389 40 0 GIABRN COc1ccc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)cn1 ZINC000257235717 212008848 /nfs/dbraw/zinc/00/88/48/212008848.db2.gz GZBQYSAQWZRXCA-LJQANCHMSA-N 0 0 395.434 4.176 40 0 GIABRN CC(C)CN1CCO[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1 ZINC000257230947 212007669 /nfs/dbraw/zinc/00/76/69/212007669.db2.gz GEOXTQKZELSMSW-IBGZPJMESA-N 0 0 397.441 4.079 40 0 GIABRN C[C@@]1(c2cc[nH]n2)CCC[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)C1 ZINC000257227080 212007199 /nfs/dbraw/zinc/00/71/99/212007199.db2.gz FNNQDDZHFVQIIC-HSZRJFAPSA-N 0 0 375.472 4.329 40 0 GIABRN CC(C)CN1CCO[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1 ZINC000257230948 212007023 /nfs/dbraw/zinc/00/70/23/212007023.db2.gz GEOXTQKZELSMSW-LJQANCHMSA-N 0 0 397.441 4.079 40 0 GIABRN CC(C)c1ccc(C[C@]2(C)Cc3cc(CCC(=O)NCCCO)ccc3O2)cc1 ZINC000257230498 212006657 /nfs/dbraw/zinc/00/66/57/212006657.db2.gz GCOQXFXGGNBFHQ-RUZDIDTESA-N 0 0 395.543 4.178 40 0 GIABRN CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)c3cccc(C)c3)CCO2)n1 ZINC000257230076 212006458 /nfs/dbraw/zinc/00/64/58/212006458.db2.gz GASGOUBKTDFXNT-OAQYLSRUSA-N 0 0 391.471 4.130 40 0 GIABRN COc1cc(C)ccc1CN1CCO[C@@H](c2cncc(-c3ccccc3F)n2)C1 ZINC000257209776 212003857 /nfs/dbraw/zinc/00/38/57/212003857.db2.gz BRVZUCGQTJLHGP-HSZRJFAPSA-N 0 0 393.462 4.173 40 0 GIABRN Clc1ccccc1Cc1cccc([C@H]2CN(Cc3ccccn3)CCO2)n1 ZINC000257202683 212002494 /nfs/dbraw/zinc/00/24/94/212002494.db2.gz AMWHSMHXWTYGBS-JOCHJYFZSA-N 0 0 379.891 4.294 40 0 GIABRN COc1ccc(-c2cccc(CC3(C(=O)N4CCCC4)CCOCC3)c2)cc1 ZINC000257198332 212001503 /nfs/dbraw/zinc/00/15/03/212001503.db2.gz ZFQCKOBWGMHFJE-UHFFFAOYSA-N 0 0 379.500 4.324 40 0 GIABRN Cc1ccc(Nc2cc(-c3cccnc3)nc(NC(C)C)n2)c(Br)c1 ZINC000329027110 209157084 /nfs/dbraw/zinc/15/70/84/209157084.db2.gz PQYHMNCMIVMROK-UHFFFAOYSA-N 0 0 398.308 4.017 40 0 GIABRN Cc1c(Nc2cc(-c3ccncc3)nc(NC3CC3)n2)cccc1C(F)(F)F ZINC000329008995 209155397 /nfs/dbraw/zinc/15/53/97/209155397.db2.gz LUERSYVOVIPNRP-UHFFFAOYSA-N 0 0 385.393 4.028 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)cc(-c2ccccc2)n1 ZINC000328999223 209155317 /nfs/dbraw/zinc/15/53/17/209155317.db2.gz JUYYNHWKUGRJMJ-IBGZPJMESA-N 0 0 382.895 4.391 40 0 GIABRN C[C@@H]1C[C@H](C)CN(c2cc(C(F)(F)F)nc(NC(=S)NC(C)(C)C)n2)C1 ZINC000225896455 211934154 /nfs/dbraw/zinc/93/41/54/211934154.db2.gz PGEIESZWKJBQBZ-PHIMTYICSA-N 0 0 389.491 4.063 40 0 GIABRN O=C(Nc1ccc(OC(F)(F)F)cc1)C1(C2(C(=O)N3CCCCC3)CC2)CC1 ZINC000225926539 211935866 /nfs/dbraw/zinc/93/58/66/211935866.db2.gz WJVZRXNFNNFLQN-UHFFFAOYSA-N 0 0 396.409 4.097 40 0 GIABRN Cc1cc(NC(=S)NC2(c3ccco3)CCCC2)ccc1N1CCCC1=O ZINC000225869752 211933446 /nfs/dbraw/zinc/93/34/46/211933446.db2.gz LXRVQXALVJYZJL-UHFFFAOYSA-N 0 0 383.517 4.471 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@@](C)(OCC)C2CC2)ccc1O[C@@H](C)CC ZINC000225836055 211932200 /nfs/dbraw/zinc/93/22/00/211932200.db2.gz PUBQDOZUQUARQV-QKKBWIMNSA-N 0 0 377.481 4.184 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)ccc1OC(C)C ZINC000225808137 211927906 /nfs/dbraw/zinc/92/79/06/211927906.db2.gz KUKGOJVNFLEEFB-BTYIYWSLSA-N 0 0 377.481 4.184 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)NCCOc2ccccc2Cl)c1C ZINC000225780381 211926816 /nfs/dbraw/zinc/92/68/16/211926816.db2.gz QLOPOJHMYTZIPI-UHFFFAOYSA-N 0 0 392.908 4.191 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000225711892 211917769 /nfs/dbraw/zinc/91/77/69/211917769.db2.gz IUIBJJPXBXJQDI-QFIPXVFZSA-N 0 0 380.532 4.260 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)N[C@@H](C)COc2ccc(C)cc2)c1C ZINC000225642294 211913014 /nfs/dbraw/zinc/91/30/14/211913014.db2.gz QZLYEDVZIVPHCX-HNNXBMFYSA-N 0 0 386.517 4.234 40 0 GIABRN Fc1ccc(CNc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)cc1F ZINC000328972619 209154763 /nfs/dbraw/zinc/15/47/63/209154763.db2.gz DVYASOYHBWDQIL-UHFFFAOYSA-N 0 0 395.457 4.017 40 0 GIABRN CCCn1c2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)cc2sc1=O ZINC000225725595 211920225 /nfs/dbraw/zinc/92/02/25/211920225.db2.gz SFOLDLZATZZTAP-UHFFFAOYSA-N 0 0 390.530 4.199 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)NCCCc2ccc(OC)cc2)c(C)c1 ZINC000225557259 211906135 /nfs/dbraw/zinc/90/61/35/211906135.db2.gz BPJVPEGKATVHQX-UHFFFAOYSA-N 0 0 386.517 4.100 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2ccc(F)cc2Br)cc(C2CC2)n1 ZINC000328966933 209154556 /nfs/dbraw/zinc/15/45/56/209154556.db2.gz CPBSYEUQWJUMJL-SNVBAGLBSA-N 0 0 379.277 4.053 40 0 GIABRN Cc1ccc(NC(=S)N[C@@H](C)CCc2ccccc2)cc1N1CCCC1=O ZINC000225515983 211902750 /nfs/dbraw/zinc/90/27/50/211902750.db2.gz WYBZPROCKNYZCE-KRWDZBQOSA-N 0 0 381.545 4.430 40 0 GIABRN CCCOc1ccccc1CCCNC(=S)Nc1cccc(C(=O)OC)c1 ZINC000225625753 211911328 /nfs/dbraw/zinc/91/13/28/211911328.db2.gz UEVQGDUUHWCLNO-UHFFFAOYSA-N 0 0 386.517 4.181 40 0 GIABRN Cc1ccccc1CSCCNC(=O)Cc1cccc(Br)c1 ZINC000225614431 211911063 /nfs/dbraw/zinc/91/10/63/211911063.db2.gz HKYDKXVPCQBNAQ-UHFFFAOYSA-N 0 0 378.335 4.350 40 0 GIABRN COc1ccc([C@@H](C)NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000225466752 211899708 /nfs/dbraw/zinc/89/97/08/211899708.db2.gz ICLMAECXEFXKMZ-MRXNPFEDSA-N 0 0 397.544 4.369 40 0 GIABRN O=C(Cc1ccc(Cl)cc1F)NCc1nc(-c2ccccc2Cl)no1 ZINC000225425947 211896624 /nfs/dbraw/zinc/89/66/24/211896624.db2.gz JETRNFHHPSPPSF-UHFFFAOYSA-N 0 0 380.206 4.041 40 0 GIABRN CC(C)c1cc(N2CCc3cc(Cl)ccc3C2)nc(N[C@H](CO)C(C)C)n1 ZINC000328978779 209154301 /nfs/dbraw/zinc/15/43/01/209154301.db2.gz GAZCENNCOUOVTM-LJQANCHMSA-N 0 0 388.943 4.245 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)NCCSCc2ccccc2F)c1 ZINC000225413399 211894943 /nfs/dbraw/zinc/89/49/43/211894943.db2.gz XQGFZAGWSUXGNV-UHFFFAOYSA-N 0 0 392.521 4.222 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(C2CC2)cc(N2Cc3ccccc3C(C)(C)C2)n1 ZINC000328970328 209154325 /nfs/dbraw/zinc/15/43/25/209154325.db2.gz DIWRCCJBQGRHPK-FQEVSTJZSA-N 0 0 380.536 4.081 40 0 GIABRN Cc1ccccc1CSCCNC(=S)Nc1cccc(N2CCCC2=O)c1 ZINC000225362690 211893095 /nfs/dbraw/zinc/89/30/95/211893095.db2.gz GEFMQEHOMUKKEU-UHFFFAOYSA-N 0 0 399.585 4.342 40 0 GIABRN O=C(CCc1c(Cl)cccc1Cl)N1CCN(c2ccc(F)cc2)CC1 ZINC000225348552 211890812 /nfs/dbraw/zinc/89/08/12/211890812.db2.gz PJFRJRVRANYQAC-UHFFFAOYSA-N 0 0 381.278 4.414 40 0 GIABRN COc1ccc(OC[C@@H](C)NC(=S)Nc2cccc(Br)c2)cc1 ZINC000225264322 211889835 /nfs/dbraw/zinc/88/98/35/211889835.db2.gz JHBIWJVPXOYKLN-GFCCVEGCSA-N 0 0 395.322 4.212 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 ZINC000225276162 211889123 /nfs/dbraw/zinc/88/91/23/211889123.db2.gz PQGLDHPFZKLTPX-OAQYLSRUSA-N 0 0 384.495 4.010 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)NCCSCc2ccc(C)cc2)c1 ZINC000225293679 211888724 /nfs/dbraw/zinc/88/87/24/211888724.db2.gz GRDMUVBVMPGWNQ-UHFFFAOYSA-N 0 0 388.558 4.392 40 0 GIABRN CCOc1ccccc1CCCNC(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000225288449 211888763 /nfs/dbraw/zinc/88/87/63/211888763.db2.gz XYSCPLIRRZUWRP-UHFFFAOYSA-N 0 0 391.515 4.310 40 0 GIABRN CCNc1nc(Nc2ccccc2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328972184 209153756 /nfs/dbraw/zinc/15/37/56/209153756.db2.gz DVAFBLZEWLOBDG-UHFFFAOYSA-N 0 0 388.393 4.370 40 0 GIABRN CCOc1ccc(C(=O)NCCCN2CCCc3ccccc32)cc1OCC ZINC000225066464 211882714 /nfs/dbraw/zinc/88/27/14/211882714.db2.gz ZYUMTRKSSLSTLT-UHFFFAOYSA-N 0 0 382.504 4.057 40 0 GIABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000225346494 211891444 /nfs/dbraw/zinc/89/14/44/211891444.db2.gz BOKYKBNCLLPTPF-AWEZNQCLSA-N 0 0 379.485 4.490 40 0 GIABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(Cl)cc1F ZINC000224947113 211877045 /nfs/dbraw/zinc/87/70/45/211877045.db2.gz BPYBLNWDZZOJLS-UHFFFAOYSA-N 0 0 380.206 4.455 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccccc1 ZINC000225017246 211880289 /nfs/dbraw/zinc/88/02/89/211880289.db2.gz HTIZTBJKXQILRY-UXHICEINSA-N 0 0 380.532 4.260 40 0 GIABRN Cc1ccc(C(=O)NCCSc2ccccc2)c(I)c1 ZINC000225011671 211878601 /nfs/dbraw/zinc/87/86/01/211878601.db2.gz MEOKBTJETDCBNU-UHFFFAOYSA-N 0 0 397.281 4.122 40 0 GIABRN COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)ccc1Cl ZINC000225063470 211882420 /nfs/dbraw/zinc/88/24/20/211882420.db2.gz ROFFCHCRPXACRP-SFHVURJKSA-N 0 0 395.908 4.192 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C ZINC000224846867 211874501 /nfs/dbraw/zinc/87/45/01/211874501.db2.gz REJIABHSXLPNHS-QGZVFWFLSA-N 0 0 386.923 4.134 40 0 GIABRN CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224788799 211873768 /nfs/dbraw/zinc/87/37/68/211873768.db2.gz BKPRHVPHUUKBGA-QHCPKHFHSA-N 0 0 392.543 4.485 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000224776525 211873797 /nfs/dbraw/zinc/87/37/97/211873797.db2.gz ZRCGFKQFFPRURL-HXUWFJFHSA-N 0 0 380.532 4.098 40 0 GIABRN CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000224720192 211870435 /nfs/dbraw/zinc/87/04/35/211870435.db2.gz NKLVAGMVVMADBC-UHFFFAOYSA-N 0 0 381.881 4.040 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 ZINC000224658462 211868543 /nfs/dbraw/zinc/86/85/43/211868543.db2.gz RALFOLIJFRHCJL-LJQANCHMSA-N 0 0 398.572 4.253 40 0 GIABRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)[nH]c1C ZINC000224556274 211865317 /nfs/dbraw/zinc/86/53/17/211865317.db2.gz HNGZBICSOCSYRY-VQTJNVASSA-N 0 0 378.501 4.212 40 0 GIABRN Cc1c2oc(-c3ccncc3)nc2c(Br)c(N)c1Br ZINC000020343606 209138736 /nfs/dbraw/zinc/13/87/36/209138736.db2.gz LJVNJKPVLLKRKN-UHFFFAOYSA-N 0 0 383.043 4.305 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224207304 211857532 /nfs/dbraw/zinc/85/75/32/211857532.db2.gz PAZYYESYQPLREC-NRFANRHFSA-N 0 0 394.559 4.344 40 0 GIABRN Cc1nccn1Cc1ccc(C(=O)NCCOc2ccc(C)c(Cl)c2)cc1 ZINC000224190738 211856164 /nfs/dbraw/zinc/85/61/64/211856164.db2.gz QRLZEZSYTHIGEU-UHFFFAOYSA-N 0 0 383.879 4.010 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1 ZINC000224182223 211855328 /nfs/dbraw/zinc/85/53/28/211855328.db2.gz OZRJNWDSFUUEMO-OAQYLSRUSA-N 0 0 398.572 4.172 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1(c2ccccc2)CCOCC1 ZINC000224319284 211859640 /nfs/dbraw/zinc/85/96/40/211859640.db2.gz WZLATCIAIGFFGO-FQEVSTJZSA-N 0 0 395.499 4.162 40 0 GIABRN Cc1cc(NC(=S)NCC2(c3ccccc3)CCOCC2)ncc1Cl ZINC000224011421 211849802 /nfs/dbraw/zinc/84/98/02/211849802.db2.gz KLODKUMUTKEYTP-UHFFFAOYSA-N 0 0 375.925 4.078 40 0 GIABRN S=C(NC[C@@H]1CCCO1)Nc1ccc(Nc2ccc3ccccc3c2)nc1 ZINC000223900103 211848456 /nfs/dbraw/zinc/84/84/56/211848456.db2.gz VRFGVDBTGJXNQY-IBGZPJMESA-N 0 0 378.501 4.444 40 0 GIABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)cc1 ZINC000223791524 211845050 /nfs/dbraw/zinc/84/50/50/211845050.db2.gz KKBPXYPUZKDYMX-RTWAWAEBSA-N 0 0 392.528 4.304 40 0 GIABRN Cc1ccccc1CN(C(=O)Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCC1 ZINC000223791547 211844759 /nfs/dbraw/zinc/84/47/59/211844759.db2.gz AQZMXSNNUBRCMG-SFHVURJKSA-N 0 0 396.506 4.153 40 0 GIABRN S=C(NCc1ccc(Cl)cc1)Nc1ccc(Sc2ncccn2)nc1 ZINC000223931247 211848583 /nfs/dbraw/zinc/84/85/83/211848583.db2.gz ALSCAOWBXSAPQJ-UHFFFAOYSA-N 0 0 387.921 4.163 40 0 GIABRN CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1 ZINC000223450620 211833334 /nfs/dbraw/zinc/83/33/34/211833334.db2.gz UPYCXGLJXZRHCB-PMACEKPBSA-N 0 0 377.517 4.032 40 0 GIABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccs2)cc1 ZINC000223408154 211833113 /nfs/dbraw/zinc/83/31/13/211833113.db2.gz FFXMFWGJIUPBFM-RTBURBONSA-N 0 0 381.526 4.324 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(OC)c(Cl)c1 ZINC000223468250 211835345 /nfs/dbraw/zinc/83/53/45/211835345.db2.gz HIARTPHHEXNDHS-UHFFFAOYSA-N 0 0 377.853 4.122 40 0 GIABRN CC(C)C(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000223348925 211828733 /nfs/dbraw/zinc/82/87/33/211828733.db2.gz VMCKXPHKAPHEKS-QFIPXVFZSA-N 0 0 390.483 4.322 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000223251042 211827417 /nfs/dbraw/zinc/82/74/17/211827417.db2.gz HNLDDEYROLHLPO-HXUWFJFHSA-N 0 0 387.907 4.362 40 0 GIABRN CCC1(CC)C[C@@H](NC(=O)Cc2ccc(OC)c(OC)c2)c2ccccc2O1 ZINC000223202020 211824811 /nfs/dbraw/zinc/82/48/11/211824811.db2.gz CNZAYYOWVRQXJA-GOSISDBHSA-N 0 0 383.488 4.445 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 ZINC000223275121 211826426 /nfs/dbraw/zinc/82/64/26/211826426.db2.gz FBOGEZKQLVFOAJ-GOSISDBHSA-N 0 0 384.495 4.010 40 0 GIABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1(c2ccccc2)CCOCC1 ZINC000223249665 211826107 /nfs/dbraw/zinc/82/61/07/211826107.db2.gz NXLNVANNEAGBBE-HXUWFJFHSA-N 0 0 379.500 4.462 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222949040 211814956 /nfs/dbraw/zinc/81/49/56/211814956.db2.gz PQNKTEAJRBSQDE-JOCHJYFZSA-N 0 0 394.559 4.470 40 0 GIABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000222844642 211814384 /nfs/dbraw/zinc/81/43/84/211814384.db2.gz PZWGLIHYPACUTF-RTBURBONSA-N 0 0 397.935 4.302 40 0 GIABRN COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)cc1 ZINC000222842236 211814100 /nfs/dbraw/zinc/81/41/00/211814100.db2.gz QJSXPTDMDKODRC-SFTDATJTSA-N 0 0 392.528 4.262 40 0 GIABRN Cc1cc(C)cc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222674996 211807304 /nfs/dbraw/zinc/80/73/04/211807304.db2.gz IDPFQOYQSMYBQJ-LJQANCHMSA-N 0 0 380.532 4.178 40 0 GIABRN CC(C)(C)c1ccc(-c2noc(CNC(=O)CCc3ccccc3F)n2)cc1 ZINC000222645286 211806877 /nfs/dbraw/zinc/80/68/77/211806877.db2.gz FTKYORCWMNTTKF-UHFFFAOYSA-N 0 0 381.451 4.422 40 0 GIABRN COc1ccc(-n2ccc([C@@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2)cc1 ZINC000222637621 211806890 /nfs/dbraw/zinc/80/68/90/211806890.db2.gz XXXCVYINRMRJNP-ONGXBYRLSA-N 0 0 390.512 4.470 40 0 GIABRN CC(C)c1ccccc1NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222655408 211807025 /nfs/dbraw/zinc/80/70/25/211807025.db2.gz ISNNCCCAXWETHN-UHFFFAOYSA-N 0 0 392.496 4.134 40 0 GIABRN CC[C@@H](C(=O)Nc1c(C)cccc1C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220529362 211786195 /nfs/dbraw/zinc/78/61/95/211786195.db2.gz YWMYIXKFCDFJSQ-SFHVURJKSA-N 0 0 388.533 4.104 40 0 GIABRN CC[C@H](C(=O)Nc1cccc2ccccc21)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220495584 211786094 /nfs/dbraw/zinc/78/60/94/211786094.db2.gz IEPYVFLKUMMUNR-OAQYLSRUSA-N 0 0 396.512 4.332 40 0 GIABRN Cc1cc(C)cc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1 ZINC000219554248 211773875 /nfs/dbraw/zinc/77/38/75/211773875.db2.gz UKLZYDFHROCQAM-HNNXBMFYSA-N 0 0 399.878 4.433 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000219319473 211769423 /nfs/dbraw/zinc/76/94/23/211769423.db2.gz KZGUZVHTDUVXCF-LJQANCHMSA-N 0 0 379.460 4.169 40 0 GIABRN COC(=O)/C=C/c1ccc(OC)c(OCc2cccc(Br)c2)c1 ZINC000216898414 211747034 /nfs/dbraw/zinc/74/70/34/211747034.db2.gz NLEZAAXFEIBARO-VQHVLOKHSA-N 0 0 377.234 4.223 40 0 GIABRN Cc1cc2c(cc(C(=O)O[C@H](C(=O)NC3CCCC3)c3ccccc3)n2C)o1 ZINC000004967228 211560408 /nfs/dbraw/zinc/56/04/08/211560408.db2.gz XLGOAIJPVGKPIE-FQEVSTJZSA-N 0 0 380.444 4.037 40 0 GIABRN CCOC(=O)c1cc2occc2n1CC(=O)Nc1ccccc1C(F)(F)F ZINC000004968485 211559634 /nfs/dbraw/zinc/55/96/34/211559634.db2.gz OVQOFPVAPFXESW-UHFFFAOYSA-N 0 0 380.322 4.069 40 0 GIABRN O=C(CSc1nnc2c3ccccc3nc(C3CCCCC3)n12)N1CCCC1 ZINC000004898260 211551342 /nfs/dbraw/zinc/55/13/42/211551342.db2.gz OJLBNFQQVSYLJK-UHFFFAOYSA-N 0 0 395.532 4.040 40 0 GIABRN CCCCOc1ccc(-c2nnn(CC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 ZINC000004130064 211530653 /nfs/dbraw/zinc/53/06/53/211530653.db2.gz KYIYXIMIZAUWNR-UHFFFAOYSA-N 0 0 393.491 4.083 40 0 GIABRN C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)N4CCCC4)c32)C1 ZINC000001377278 211508723 /nfs/dbraw/zinc/50/87/23/211508723.db2.gz CFRVEWLTOFDTTG-LBPRGKRZSA-N 0 0 387.574 4.408 40 0 GIABRN Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)NC1CCCCC1 ZINC000001377976 211508222 /nfs/dbraw/zinc/50/82/22/211508222.db2.gz YHMKWKOAPQUDCA-IHWFROFDSA-N 0 0 383.536 4.153 40 0 GIABRN COc1ccc(CNC(=O)CSc2nc(C)nc3sc(C)c(C)c32)cc1 ZINC000001357888 211507205 /nfs/dbraw/zinc/50/72/05/211507205.db2.gz GDUVHNKHMLMUGT-UHFFFAOYSA-N 0 0 387.530 4.034 40 0 GIABRN Cc1occc1-c1nnc(SCC(=O)NC(C)(C)C)n1CCc1ccccc1 ZINC000001361175 211506801 /nfs/dbraw/zinc/50/68/01/211506801.db2.gz HKCYMJUBPKGQHI-UHFFFAOYSA-N 0 0 398.532 4.096 40 0 GIABRN Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)Nc3cccc(O)c3)n12 ZINC000000903018 211496571 /nfs/dbraw/zinc/49/65/71/211496571.db2.gz SSKPOLFPKPQWEN-UHFFFAOYSA-N 0 0 392.484 4.244 40 0 GIABRN C[C@@H]1C[C@@H](C(F)F)n2nc(C(=O)Nc3ccccc3Cc3ccccc3)nc2N1 ZINC000000900701 211496628 /nfs/dbraw/zinc/49/66/28/211496628.db2.gz OZRWDVDELKMXEB-DYVFJYSZSA-N 0 0 397.429 4.132 40 0 GIABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2C)cc1 ZINC000000894312 211494077 /nfs/dbraw/zinc/49/40/77/211494077.db2.gz DYQBMKQHEZJTLG-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN COC(=O)c1c(C)c(C(=O)Nc2cccc(C)c2C)sc1NC(=O)C(C)C ZINC000000871948 211492970 /nfs/dbraw/zinc/49/29/70/211492970.db2.gz VCRXCILBKKCZGK-UHFFFAOYSA-N 0 0 388.489 4.307 40 0 GIABRN CCc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N3CCC[C@H](C)C3)n12 ZINC000000877143 211492366 /nfs/dbraw/zinc/49/23/66/211492366.db2.gz TWPSPQCHTMOSIQ-AWEZNQCLSA-N 0 0 382.533 4.104 40 0 GIABRN O=C(Nc1ccc(Br)cc1)c1cc2cc(Cl)ccc2oc1=O ZINC000000841658 211490677 /nfs/dbraw/zinc/49/06/77/211490677.db2.gz FSIUHXPEVBNUJJ-UHFFFAOYSA-N 0 0 378.609 4.461 40 0 GIABRN CCC(CC)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000113936264 211470073 /nfs/dbraw/zinc/47/00/73/211470073.db2.gz WPPYEQHPYMOJBZ-UHFFFAOYSA-N 0 0 394.924 4.084 40 0 GIABRN COc1ccc(C(=O)[C@H](c2ccc(OC)cc2)[C@@H]2c3ccccc3OC2=O)cc1 ZINC000102935277 211419596 /nfs/dbraw/zinc/41/95/96/211419596.db2.gz MZLRPXKKFRFKOM-YADHBBJMSA-N 0 0 388.419 4.373 40 0 GIABRN Cc1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101017665 211393524 /nfs/dbraw/zinc/39/35/24/211393524.db2.gz PCNQEOOTUOHJID-FKBYEOEOSA-N 0 0 384.435 4.046 40 0 GIABRN CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=S)Nc2ccccc2)cc1 ZINC000100857982 211391938 /nfs/dbraw/zinc/39/19/38/211391938.db2.gz HOGJMKBPLOOWGV-SFHVURJKSA-N 0 0 383.542 4.318 40 0 GIABRN O=C(NC[C@H]1CC[C@H](c2ncncc2-c2ccncc2)CC1)[C@H]1CC=CCC1 ZINC000100738798 211390073 /nfs/dbraw/zinc/39/00/73/211390073.db2.gz QTQJGVISNMRANV-SXLOBPIMSA-N 0 0 376.504 4.285 40 0 GIABRN Cc1ccc(NC(=O)[C@@H]2C[C@@]3(CO2)CN(Cc2ccccc2)c2ccccc23)nc1 ZINC000096262850 211327260 /nfs/dbraw/zinc/32/72/60/211327260.db2.gz WUAVNSYIZCOIHU-DHLKQENFSA-N 0 0 399.494 4.076 40 0 GIABRN C[C@H]1CCCC[C@H]1NC(=O)c1ccnn1-c1ccc2ccc(-c3ccncc3)cn21 ZINC000096155267 211314195 /nfs/dbraw/zinc/31/41/95/211314195.db2.gz QPKGCHVVQZRWHG-LAUBAEHRSA-N 0 0 399.498 4.496 40 0 GIABRN O=C(c1cc(-c2csc(-c3cnccn3)n2)n2ccccc12)N1CCCCC1 ZINC000096154855 211312113 /nfs/dbraw/zinc/31/21/13/211312113.db2.gz LXTVBRXWJKCJEV-UHFFFAOYSA-N 0 0 389.484 4.146 40 0 GIABRN C[C@@H]1CCCN1C(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 ZINC000096146552 211310043 /nfs/dbraw/zinc/31/00/43/211310043.db2.gz HRACUQMWSAQCKL-MRXNPFEDSA-N 0 0 399.498 4.410 40 0 GIABRN Cc1ccc(NC(=O)c2cc3c(s2)CCN3C(=O)c2ccc(F)cc2)nc1 ZINC000096146812 211309275 /nfs/dbraw/zinc/30/92/75/211309275.db2.gz YYRUIYGJKAURMM-UHFFFAOYSA-N 0 0 381.432 4.046 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 ZINC000096234469 211323738 /nfs/dbraw/zinc/32/37/38/211323738.db2.gz VAMKTLJYDZMBNO-MRXNPFEDSA-N 0 0 385.489 4.313 40 0 GIABRN CCc1cccc(NC(=O)N2CC[C@@]3(C[C@@H]3C(=O)Nc3cccc(F)c3)C2)c1 ZINC000096227279 211321010 /nfs/dbraw/zinc/32/10/10/211321010.db2.gz PGDJIFZZRJJXMP-DENIHFKCSA-N 0 0 381.451 4.271 40 0 GIABRN Cn1cc(-c2cnc(Nc3ccccc3)nc2)cc1C(=O)NCc1cccs1 ZINC000096037587 211296761 /nfs/dbraw/zinc/29/67/61/211296761.db2.gz VLXFGQBGUAKUNJ-UHFFFAOYSA-N 0 0 389.484 4.217 40 0 GIABRN Cc1nc(-c2noc3ccc(C(=O)NCc4ccc(F)cc4F)cc32)cs1 ZINC000096037856 211296151 /nfs/dbraw/zinc/29/61/51/211296151.db2.gz PASIGMLAKZFEOC-UHFFFAOYSA-N 0 0 385.395 4.468 40 0 GIABRN O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cccc(O)c1 ZINC000082086468 211160164 /nfs/dbraw/zinc/16/01/64/211160164.db2.gz NFMPWVUHRXHINK-UHFFFAOYSA-N 0 0 395.362 4.192 40 0 GIABRN CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000079794315 211157861 /nfs/dbraw/zinc/15/78/61/211157861.db2.gz ODVZWAWQENIRKD-PMHSVAMXSA-N 0 0 388.548 4.447 40 0 GIABRN C[C@@H](c1nc2ccccc2n1CC(=O)N(C)c1ccccc1)N1CCCCC1 ZINC000076556422 211127498 /nfs/dbraw/zinc/12/74/98/211127498.db2.gz ISWBVDAKALRTEK-SFHVURJKSA-N 0 0 376.504 4.246 40 0 GIABRN O=C([O-])C[N@H+](Cc1ccc(OCc2ccccc2)cc1)Cc1cccc(F)c1 ZINC000073633134 211126510 /nfs/dbraw/zinc/12/65/10/211126510.db2.gz LUBQCXBJZIWTOH-UHFFFAOYSA-N 0 0 379.431 4.492 40 0 GIABRN CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1Cc1ncc[nH]1 ZINC000072370650 211103617 /nfs/dbraw/zinc/10/36/17/211103617.db2.gz QTLLLPDIZIHPTE-MRXNPFEDSA-N 0 0 396.560 4.314 40 0 GIABRN O=C(c1ccccc1)N1CC[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371225 211103523 /nfs/dbraw/zinc/10/35/23/211103523.db2.gz JRUGVNQKBHURDO-KRWDZBQOSA-N 0 0 395.890 4.314 40 0 GIABRN Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cn2cc(Cl)ccc2n1 ZINC000072391744 211111264 /nfs/dbraw/zinc/11/12/64/211111264.db2.gz AJYNYFRHQTWFFI-UHFFFAOYSA-N 0 0 397.841 4.241 40 0 GIABRN O=C(c1ccccn1)N1CCC[C@@H]1c1cncc(Oc2ccc(Cl)cc2)n1 ZINC000072383861 211107922 /nfs/dbraw/zinc/10/79/22/211107922.db2.gz UQGPKMNGMBHEFA-GOSISDBHSA-N 0 0 380.835 4.295 40 0 GIABRN Cc1ncsc1C(=O)N1CCC[C@H]1c1cccc(-n2ccnc2C(C)C)n1 ZINC000072379041 211107321 /nfs/dbraw/zinc/10/73/21/211107321.db2.gz CSANSDSDTMOQBR-INIZCTEOSA-N 0 0 381.505 4.133 40 0 GIABRN CCn1cc(CN2CCC[C@@H]2c2cccc(Nc3ncc(C)s3)n2)c(C)n1 ZINC000072375415 211105731 /nfs/dbraw/zinc/10/57/31/211105731.db2.gz WTSWGZZFODQMRZ-GOSISDBHSA-N 0 0 382.537 4.452 40 0 GIABRN Cc1cc(C)nc(Nc2cncc([C@@H]3CCCN3Cc3ccccc3F)n2)n1 ZINC000072376205 211105617 /nfs/dbraw/zinc/10/56/17/211105617.db2.gz OEUQSLYIQAJHEN-IBGZPJMESA-N 0 0 378.455 4.103 40 0 GIABRN Cc1cc(C)nc(Nc2cncc([C@@H]3CCCN3Cc3ccc(F)cc3)n2)n1 ZINC000072376213 211105572 /nfs/dbraw/zinc/10/55/72/211105572.db2.gz RGKJLEOFXQDFHG-IBGZPJMESA-N 0 0 378.455 4.103 40 0 GIABRN Cc1cnc(Nc2cccc([C@H]3CCCN3C(=O)COc3ccccc3)n2)s1 ZINC000072375192 211105252 /nfs/dbraw/zinc/10/52/52/211105252.db2.gz ZCCQYEAYTDVMQA-GOSISDBHSA-N 0 0 394.500 4.333 40 0 GIABRN O=C(c1cccnc1)N1CCC[C@H](CCc2ccnc(Nc3ccccn3)c2)C1 ZINC000072378196 211104635 /nfs/dbraw/zinc/10/46/35/211104635.db2.gz FIIJEJWCEZHOEH-LJQANCHMSA-N 0 0 387.487 4.100 40 0 GIABRN CCc1nnc(Nc2cccc(C3CCN(C(=O)c4ccccc4)CC3)n2)s1 ZINC000072376129 211104363 /nfs/dbraw/zinc/10/43/63/211104363.db2.gz AGIKTYZHKKYECE-UHFFFAOYSA-N 0 0 393.516 4.259 40 0 GIABRN CCc1nc2cccnc2n1C1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 ZINC000072366002 211103856 /nfs/dbraw/zinc/10/38/56/211103856.db2.gz QIFJMSOFFFRXFS-UHFFFAOYSA-N 0 0 391.450 4.091 40 0 GIABRN CC(=O)N1CCCCC[C@H]1Cc1c2ccccc2sc1C(=O)NCC(F)F ZINC000072370782 211103859 /nfs/dbraw/zinc/10/38/59/211103859.db2.gz HZCOZFWHJONKOV-AWEZNQCLSA-N 0 0 394.487 4.230 40 0 GIABRN CCn1ccnc1CN1CCCC[C@H]1Cc1c2ccccc2sc1C(=O)NC ZINC000072370496 211103883 /nfs/dbraw/zinc/10/38/83/211103883.db2.gz VGBXSTUSVVVWST-INIZCTEOSA-N 0 0 396.560 4.075 40 0 GIABRN CCCC(=O)N1CCC(Cc2ccc(-c3ccccc3F)cc2)(C(=O)NC)CC1 ZINC000072345197 211094574 /nfs/dbraw/zinc/09/45/74/211094574.db2.gz QYCIPPZPKMYKQE-UHFFFAOYSA-N 0 0 396.506 4.190 40 0 GIABRN COc1cc2c(cc1OC)[C@H](c1cc(C)no1)N(C(=O)CCC1CCCC1)CC2 ZINC000072342731 211093075 /nfs/dbraw/zinc/09/30/75/211093075.db2.gz JWXWFXOPHIIKNY-HSZRJFAPSA-N 0 0 398.503 4.445 40 0 GIABRN Cc1ccc(C(=O)N2CCC(c3nccnc3Oc3ccccc3F)CC2)cn1 ZINC000072362691 211101295 /nfs/dbraw/zinc/10/12/95/211101295.db2.gz QSINHFRSEJLZFE-UHFFFAOYSA-N 0 0 392.434 4.131 40 0 GIABRN CCn1ccnc1CN1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072359137 211100924 /nfs/dbraw/zinc/10/09/24/211100924.db2.gz QUWVAQQXKPNLFM-KRWDZBQOSA-N 0 0 381.911 4.393 40 0 GIABRN O=C(Cc1ccncc1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359590 211100701 /nfs/dbraw/zinc/10/07/01/211100701.db2.gz VRCQTAJPTYAKQT-SFHVURJKSA-N 0 0 392.890 4.141 40 0 GIABRN O=C(Nc1nccs1)c1cccc([C@H]2CCCN(C(=O)C3CCCCC3)C2)n1 ZINC000072357450 211099106 /nfs/dbraw/zinc/09/91/06/211099106.db2.gz FZFUYFUCAJASFS-INIZCTEOSA-N 0 0 398.532 4.077 40 0 GIABRN O=C(c1sc2ccccc2c1[C@@H]1CCN(c2ccccc2)C1)N1CCOCC1 ZINC000072355980 211099173 /nfs/dbraw/zinc/09/91/73/211099173.db2.gz LIVXNWGRUIEFOW-QGZVFWFLSA-N 0 0 392.524 4.368 40 0 GIABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)c2ccccc2)n1 ZINC000072354615 211098661 /nfs/dbraw/zinc/09/86/61/211098661.db2.gz TZHRRWDCMJQGPA-SFHVURJKSA-N 0 0 378.863 4.357 40 0 GIABRN O=C(Nc1nccs1)c1cccc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)n1 ZINC000072357449 211098150 /nfs/dbraw/zinc/09/81/50/211098150.db2.gz FZFUYFUCAJASFS-MRXNPFEDSA-N 0 0 398.532 4.077 40 0 GIABRN O=C(COc1ccccc1)N1CCC[C@H](c2ccc(Nc3ccccn3)cn2)C1 ZINC000072353290 211097179 /nfs/dbraw/zinc/09/71/79/211097179.db2.gz ZQYOSMPQGBQWDU-SFHVURJKSA-N 0 0 388.471 4.005 40 0 GIABRN O=C(CN1CCC[C@@H]1c1ccc(Nc2ccccn2)cn1)Nc1ccc(F)cc1 ZINC000072353005 211096960 /nfs/dbraw/zinc/09/69/60/211096960.db2.gz YVKHUDVAVOFRPR-HXUWFJFHSA-N 0 0 391.450 4.135 40 0 GIABRN COc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)c4cccnc4)C3)n2)c1 ZINC000072349120 211096995 /nfs/dbraw/zinc/09/69/95/211096995.db2.gz DVVGBIGYYOBSBT-HXUWFJFHSA-N 0 0 387.483 4.096 40 0 GIABRN Cn1ccc(C(=O)N2CCC(c3cccc(Cc4ccccc4Cl)n3)CC2)n1 ZINC000072349923 211096754 /nfs/dbraw/zinc/09/67/54/211096754.db2.gz QMZJHAXBQYXHOA-UHFFFAOYSA-N 0 0 394.906 4.079 40 0 GIABRN CCc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000057906082 210903277 /nfs/dbraw/zinc/90/32/77/210903277.db2.gz DIMZFZIUCHYPMY-FQEVSTJZSA-N 0 0 379.529 4.297 40 0 GIABRN COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 ZINC000055053287 210878369 /nfs/dbraw/zinc/87/83/69/210878369.db2.gz POAZUQUOHLLTBG-OAHLLOKOSA-N 0 0 384.501 4.051 40 0 GIABRN CCOC(=O)CCCCC(=O)c1ccc(CC2CCC3(CC2)OCCO3)cc1 ZINC000043210913 210808939 /nfs/dbraw/zinc/80/89/39/210808939.db2.gz RSXOYIVGMGIFBJ-UHFFFAOYSA-N 0 0 388.504 4.469 40 0 GIABRN CC(C)(C)OC(=O)N1CCC[C@@H](COc2nc3ccccc3nc2Cl)C1 ZINC000043220433 210807236 /nfs/dbraw/zinc/80/72/36/210807236.db2.gz VMDLTVXAQFLVST-CYBMUJFWSA-N 0 0 377.872 4.309 40 0 GIABRN Cc1nc2nc3ccn([C@@H]4CCCC[C@@H]4C)c(=O)c3c(-c3ccc(F)cc3)n2n1 ZINC000040398547 210786560 /nfs/dbraw/zinc/78/65/60/210786560.db2.gz OMNAQROCNLFTHF-SCLBCKFNSA-N 0 0 391.450 4.305 40 0 GIABRN O=c1[nH]c(N2CCc3ccccc32)nc2nccc(C=Cc3ccc(F)cc3)c12 ZINC000040388575 210784991 /nfs/dbraw/zinc/78/49/91/210784991.db2.gz PTJLCJOMUJPGGQ-VMPITWQZSA-N 0 0 384.414 4.322 40 0 GIABRN COc1ccccc1Nc1nc2nccc(-c3ccc(SC)cc3)c2c(=O)[nH]1 ZINC000040373036 210785070 /nfs/dbraw/zinc/78/50/70/210785070.db2.gz CGBLDFBZBQMPIC-UHFFFAOYSA-N 0 0 390.468 4.459 40 0 GIABRN O=C1CCCc2c1cnc1nc(Nc3ccc(Oc4ccccc4)cc3)[nH]c(=O)c12 ZINC000038829470 210757678 /nfs/dbraw/zinc/75/76/78/210757678.db2.gz DLWMCFZSKLUHLZ-UHFFFAOYSA-N 0 0 398.422 4.373 40 0 GIABRN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(C)cc1 ZINC000035311699 210679976 /nfs/dbraw/zinc/67/99/76/210679976.db2.gz ISJFBCAKJZSSJJ-KRWDZBQOSA-N 0 0 387.867 4.292 40 0 GIABRN O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(Cl)c(Cl)c1 ZINC000032118648 210572155 /nfs/dbraw/zinc/57/21/55/210572155.db2.gz NMYLHWCINOXUKF-UHFFFAOYSA-N 0 0 383.344 4.422 40 0 GIABRN Cc1ccc(C2=NN(C(=O)c3cccc(Cl)c3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000032101088 210572737 /nfs/dbraw/zinc/57/27/37/210572737.db2.gz XZRNGRCOOOWCIE-KRWDZBQOSA-N 0 0 382.769 4.150 40 0 GIABRN CCCCC(=O)Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1OC ZINC000032115358 210572478 /nfs/dbraw/zinc/57/24/78/210572478.db2.gz DZZOLDOVQWYSED-UHFFFAOYSA-N 0 0 390.867 4.495 40 0 GIABRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@]1(O)CC[C@H]2c1ccc(=O)oc1 ZINC000026893079 210507866 /nfs/dbraw/zinc/50/78/66/210507866.db2.gz QEEBRPGZBVVINN-ONGIWDLKSA-N 0 0 386.532 4.242 40 0 GIABRN COc1ccc(S(=O)(=O)N(Cc2ccccc2C)c2ccccc2OC)cc1 ZINC000408628097 533042827 /nfs/dbraw/zinc/04/28/27/533042827.db2.gz TYSJGEAWVBPSOB-UHFFFAOYSA-N 0 0 397.496 4.408 40 0 GIABRN Cc1ccc(/N=c2\scc(-c3ccc(C)c(C)c3)n2N2CCOCC2)cc1 ZINC000022761526 210423495 /nfs/dbraw/zinc/42/34/95/210423495.db2.gz JCLPGQKEUSTSHX-FCQUAONHSA-N 0 0 379.529 4.342 40 0 GIABRN CCOc1ccc2c(c1)c(=O)c(C(=O)N[C@H](C)c1ccc(Cl)cc1)cn2C ZINC000022237418 210407316 /nfs/dbraw/zinc/40/73/16/210407316.db2.gz LZZUEKOJRRFBJZ-CYBMUJFWSA-N 0 0 384.863 4.082 40 0 GIABRN CCn1cc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c(=O)c2cc(OC)ccc21 ZINC000022236045 210406991 /nfs/dbraw/zinc/40/69/91/210406991.db2.gz HYADJRFVFHHRFU-CYBMUJFWSA-N 0 0 384.863 4.174 40 0 GIABRN COc1cc([C@@H]2Cc3c(cnn3-c3ccc(C)cc3)C(=O)C2)cc(OC)c1OC ZINC000020632968 210353880 /nfs/dbraw/zinc/35/38/80/210353880.db2.gz CYIBUKIXQUMAMX-OAHLLOKOSA-N 0 0 392.455 4.119 40 0 GIABRN CCCN1c2ccccc2[C@]2(Nc3ccccc3C(=O)N2c2ccccc2)C1=O ZINC000020636565 210353770 /nfs/dbraw/zinc/35/37/70/210353770.db2.gz HDCCNIJEZHBGDA-XMMPIXPASA-N 0 0 383.451 4.369 40 0 GIABRN COc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccc(C)cc2)C4)cc1 ZINC000020632428 210353447 /nfs/dbraw/zinc/35/34/47/210353447.db2.gz GTDXFIQKFMVMOH-KRWDZBQOSA-N 0 0 384.439 4.021 40 0 GIABRN O=C(CSc1ccc(Cl)cc1)Nc1ccc(CSc2nc[nH]n2)cc1 ZINC000020611357 210352788 /nfs/dbraw/zinc/35/27/88/210352788.db2.gz MZQBHIQBFQLRAY-UHFFFAOYSA-N 0 0 390.921 4.481 40 0 GIABRN COc1cccc(O[C@H](C)C(=O)NCCSCc2cccc(Cl)c2)c1 ZINC000020495201 210342240 /nfs/dbraw/zinc/34/22/40/210342240.db2.gz LTZHNJBVZJYODX-CQSZACIVSA-N 0 0 379.909 4.166 40 0 GIABRN COc1ccc(SCC(=O)NCCCc2ccc(Cl)cc2)cc1OC ZINC000020493931 210341978 /nfs/dbraw/zinc/34/19/78/210341978.db2.gz AHUIKECUUGACJZ-UHFFFAOYSA-N 0 0 379.909 4.198 40 0 GIABRN CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000020493520 210341862 /nfs/dbraw/zinc/34/18/62/210341862.db2.gz YCDAKRUCVRFNQW-BBRMVZONSA-N 0 0 377.868 4.392 40 0 GIABRN COc1ccc(SCC(=O)NCCSCc2cccc(Cl)c2)cc1 ZINC000020491333 210341762 /nfs/dbraw/zinc/34/17/62/210341762.db2.gz AYQFEKMXJLNYHD-UHFFFAOYSA-N 0 0 381.950 4.490 40 0 GIABRN COc1ccc(SCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000020458719 210338750 /nfs/dbraw/zinc/33/87/50/210338750.db2.gz NRTNHWWIXNLWFZ-UHFFFAOYSA-N 0 0 398.528 4.442 40 0 GIABRN CCOC(=O)c1ccc(NS(=O)(=O)Cc2cccc(Cl)c2)cc1Cl ZINC000020459594 210338622 /nfs/dbraw/zinc/33/86/22/210338622.db2.gz YZRAAVVQSXHNCE-UHFFFAOYSA-N 0 0 388.272 4.112 40 0 GIABRN COc1ccc(CN(C)C(=O)COc2cc(C)c(Cl)c(C)c2)cc1OC ZINC000020460414 210338202 /nfs/dbraw/zinc/33/82/02/210338202.db2.gz GSTYHORMIZEEBS-UHFFFAOYSA-N 0 0 377.868 4.011 40 0 GIABRN Cc1ccc(C)c(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000020461863 210338209 /nfs/dbraw/zinc/33/82/09/210338209.db2.gz BVLQTNOENIFUFK-UHFFFAOYSA-N 0 0 376.422 4.214 40 0 GIABRN CC(=O)Nc1cccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 ZINC000020462027 210338148 /nfs/dbraw/zinc/33/81/48/210338148.db2.gz JQECTXNOBSLUKX-UHFFFAOYSA-N 0 0 385.467 4.460 40 0 GIABRN CCS(=O)(=O)N1c2ccc(C(=O)Nc3cccc4ccccc43)cc2C[C@H]1C ZINC000020449011 210336453 /nfs/dbraw/zinc/33/64/53/210336453.db2.gz MDUYNVNDWRLXOQ-OAHLLOKOSA-N 0 0 394.496 4.193 40 0 GIABRN Cc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3cn(C)c4ccccc34)n2)cc1 ZINC000067898698 210345096 /nfs/dbraw/zinc/34/50/96/210345096.db2.gz IYNYIUFUBKYXNO-QHCPKHFHSA-N 0 0 386.499 4.450 40 0 biogenic,in-vitro GIABRN CCOc1ccc(/C=C/C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1OC ZINC000020151141 210320058 /nfs/dbraw/zinc/32/00/58/210320058.db2.gz NVTOEYQYIUQEGQ-XYOKQWHBSA-N 0 0 393.439 4.498 40 0 GIABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(Br)o1 ZINC000020139785 210317798 /nfs/dbraw/zinc/31/77/98/210317798.db2.gz VWBWFUHRJBFVEU-UHFFFAOYSA-N 0 0 392.205 4.055 40 0 GIABRN COc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1-c1ccc(CO)o1 ZINC000020141872 210317287 /nfs/dbraw/zinc/31/72/87/210317287.db2.gz MWLGDPSMRNADDA-UHFFFAOYSA-N 0 0 381.428 4.487 40 0 GIABRN COc1ccc([C@H](CC(C)C)NC(=O)c2cccc(CN3CCOCC3)c2)cc1 ZINC000020104698 210316833 /nfs/dbraw/zinc/31/68/33/210316833.db2.gz GSDKWULOSOXHMG-QHCPKHFHSA-N 0 0 396.531 4.045 40 0 GIABRN CCOc1ccc(CNC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1OCC ZINC000020107242 210316621 /nfs/dbraw/zinc/31/66/21/210316621.db2.gz URLMUXRZAXXJGH-OAHLLOKOSA-N 0 0 389.517 4.290 40 0 GIABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000020110230 210315993 /nfs/dbraw/zinc/31/59/93/210315993.db2.gz BKXVBQWKZCPBHM-UHFFFAOYSA-N 0 0 393.679 4.271 40 0 GIABRN CCC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000020050070 210315187 /nfs/dbraw/zinc/31/51/87/210315187.db2.gz HFTKIRYTBHTMFH-CQSZACIVSA-N 0 0 394.924 4.368 40 0 GIABRN CCCc1nnc(SCC(=O)Nc2ccc(Br)c(C)c2)n1CC ZINC000020033986 210313389 /nfs/dbraw/zinc/31/33/89/210313389.db2.gz OZSIEIYCUJPFGN-UHFFFAOYSA-N 0 0 397.342 4.052 40 0 GIABRN COc1ccc([C@H](C)NC(=O)c2sc(-c3cccnc3)nc2C)cc1OC ZINC000020030096 210312490 /nfs/dbraw/zinc/31/24/90/210312490.db2.gz NIUZJRZCEHMGBD-LBPRGKRZSA-N 0 0 383.473 4.022 40 0 GIABRN Cc1ccc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cc1Cl ZINC000019937619 210308944 /nfs/dbraw/zinc/30/89/44/210308944.db2.gz VJLBKNJYUFDGNN-UHFFFAOYSA-N 0 0 388.254 4.233 40 0 GIABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cnc(-c2ccccc2)[nH]c1=O ZINC000019937314 210308788 /nfs/dbraw/zinc/30/87/88/210308788.db2.gz IOARBVCOXOYYEE-UHFFFAOYSA-N 0 0 393.752 4.361 40 0 GIABRN CCc1cccc(C)c1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000019937599 210308530 /nfs/dbraw/zinc/30/85/30/210308530.db2.gz KHASZEXZGNNUJN-UHFFFAOYSA-N 0 0 381.863 4.142 40 0 GIABRN CCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1cccc(NC(C)=O)c1 ZINC000019928690 210308476 /nfs/dbraw/zinc/30/84/76/210308476.db2.gz PPDGELAUSFAFPF-UHFFFAOYSA-N 0 0 394.500 4.207 40 0 GIABRN COc1ccc2cc(C(=O)NCCc3nc4cc(C)c(C)cc4[nH]3)c(C)nc2c1 ZINC000019715215 210286531 /nfs/dbraw/zinc/28/65/31/210286531.db2.gz PYRQKYZCHWJVNC-UHFFFAOYSA-N 0 0 388.471 4.017 40 0 GIABRN Cn1c(CCC(=O)NCC(C)(C)c2ccccc2F)nc2cc(Cl)ccc21 ZINC000019714208 210285480 /nfs/dbraw/zinc/28/54/80/210285480.db2.gz RMGNUCAWFBDTMV-UHFFFAOYSA-N 0 0 387.886 4.392 40 0 GIABRN CCn1cc(-c2cc(NCC3(c4cccc(C)c4)CCOCC3)nc(C)n2)cn1 ZINC000019717965 210288786 /nfs/dbraw/zinc/28/87/86/210288786.db2.gz AWAGPEIZLSSQFQ-UHFFFAOYSA-N 0 0 391.519 4.137 40 0 GIABRN O=C(Cc1cccc2cccnc21)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000019716237 210287744 /nfs/dbraw/zinc/28/77/44/210287744.db2.gz KPNFWRHYQAFTKL-FQEVSTJZSA-N 0 0 388.467 4.302 40 0 GIABRN CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cccc(Cn4cccn4)c3)c2C1 ZINC000019715635 210287855 /nfs/dbraw/zinc/28/78/55/210287855.db2.gz SBUIMKZGUSYJPV-INIZCTEOSA-N 0 0 378.476 4.323 40 0 GIABRN Fc1ccc(OCCc2cc([C@@H]3CCCN3Cc3ccncc3)[nH]n2)cc1F ZINC000019703673 210284177 /nfs/dbraw/zinc/28/41/77/210284177.db2.gz ZFCWYATZGDQQGN-NRFANRHFSA-N 0 0 384.430 4.042 40 0 GIABRN CCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)CCC2 ZINC000019706202 210283873 /nfs/dbraw/zinc/28/38/73/210283873.db2.gz UVMBSSZSEJBVJG-OAQYLSRUSA-N 0 0 392.547 4.244 40 0 GIABRN Cn1cc(-c2ccc([C@H]3CCCN3C(=O)CCc3c[nH]c4ccccc34)nc2)cn1 ZINC000019688791 210282104 /nfs/dbraw/zinc/28/21/04/210282104.db2.gz GALVOSWLPWSTOZ-HSZRJFAPSA-N 0 0 399.498 4.260 40 0 GIABRN Cc1nn(C)cc1C(=O)N1CCC[C@H]1c1cc(Cc2cccc(C)c2)cc(C)n1 ZINC000019690864 210281505 /nfs/dbraw/zinc/28/15/05/210281505.db2.gz FGWGYTSRRVIHNI-QHCPKHFHSA-N 0 0 388.515 4.308 40 0 GIABRN CC1CCN(c2ccc(C(=O)N(C)Cc3nnc(-c4ccccc4)o3)cc2)CC1 ZINC000019664221 210279882 /nfs/dbraw/zinc/27/98/82/210279882.db2.gz PEWCQWXUODQRHL-UHFFFAOYSA-N 0 0 390.487 4.245 40 0 GIABRN CN(CCOc1ccc(F)cc1)C(=O)c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000019661793 210279579 /nfs/dbraw/zinc/27/95/79/210279579.db2.gz VRMGJHLFTUJFTB-UHFFFAOYSA-N 0 0 385.826 4.087 40 0 GIABRN Cc1ccc(C)c2c1cc(C(=O)N(Cc1ccccn1)C[C@@H]1CCCO1)n2C ZINC000019663313 210279685 /nfs/dbraw/zinc/27/96/85/210279685.db2.gz KVGNNOGOEDMFTC-IBGZPJMESA-N 0 0 377.488 4.012 40 0 GIABRN COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3cccc(OC)c3)no2)cc1 ZINC000019661053 210279730 /nfs/dbraw/zinc/27/97/30/210279730.db2.gz FKIRUXIMDKCYQO-HXUWFJFHSA-N 0 0 378.428 4.336 40 0 GIABRN Cc1cccc(C2(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)CCOCC2)c1 ZINC000019662398 210279501 /nfs/dbraw/zinc/27/95/01/210279501.db2.gz RLZIDKXLRPSVBO-UHFFFAOYSA-N 0 0 393.462 4.066 40 0 GIABRN COc1ccc2cnc([C@@H]3CCCN(C(=O)c4cc(C5CC5)n[nH]4)C3)cc2c1C ZINC000019582654 210271100 /nfs/dbraw/zinc/27/11/00/210271100.db2.gz LHGVIAWGQXNAJI-QGZVFWFLSA-N 0 0 390.487 4.172 40 0 GIABRN COc1ccc2oc(C)c(C(=O)N[C@H](c3nccn3C)c3ccc(F)cc3)c2c1 ZINC000019581588 210270550 /nfs/dbraw/zinc/27/05/50/210270550.db2.gz SXNDNJCGNOXAKP-FQEVSTJZSA-N 0 0 393.418 4.142 40 0 GIABRN Cc1noc(C)c1Cc1c(C)onc1C(=O)N(Cc1ccccn1)C1CCCC1 ZINC000019580930 210270171 /nfs/dbraw/zinc/27/01/71/210270171.db2.gz BULWBZUEVKRXKR-UHFFFAOYSA-N 0 0 394.475 4.159 40 0 GIABRN COc1cc2c(cc1/C=C1/SC(=O)N(CC3CCCCC3)C1=O)OCO2 ZINC000409127822 533152213 /nfs/dbraw/zinc/15/22/13/533152213.db2.gz QMEOZPAEYXDRHA-CAOOACKPSA-N 0 0 375.446 4.041 40 0 GIABRN O=C(Nc1ccccc1F)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000008289318 221034787 /nfs/dbraw/zinc/03/47/87/221034787.db2.gz NREQRBJVWDGLQR-UHFFFAOYSA-N 0 0 388.395 4.018 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1C ZINC000008291730 221035122 /nfs/dbraw/zinc/03/51/22/221035122.db2.gz DQXSEURXTXJLMY-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN COc1ccc([C@@H]2Cc3c(c(C)nn3-c3ccccc3F)C(=O)C2)c(OC)c1 ZINC000010156812 221098524 /nfs/dbraw/zinc/09/85/24/221098524.db2.gz CKLFZNKCLJYLBS-CQSZACIVSA-N 0 0 380.419 4.250 40 0 GIABRN Cc1cccc(Cn2c3ccccc3c(=O)n(-c3ccc(Cl)cc3)c2=O)c1 ZINC000010156740 221098937 /nfs/dbraw/zinc/09/89/37/221098937.db2.gz IQZUPZYCCUMJOX-UHFFFAOYSA-N 0 0 376.843 4.163 40 0 GIABRN O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1ccc(-c3ccccc3)cc1)C2 ZINC000012120685 221154678 /nfs/dbraw/zinc/15/46/78/221154678.db2.gz JRANTNZZTBHOML-UHFFFAOYSA-N 0 0 394.478 4.057 40 0 GIABRN COc1cc(C(=O)N2[C@@H]3CC[C@H]2CC(c2ccc(F)cc2)C3)cc(OC)c1OC ZINC000012180953 221161542 /nfs/dbraw/zinc/16/15/42/221161542.db2.gz LBNULVKGQGJNOZ-QNBRMCRTSA-N 0 0 399.462 4.402 40 0 GIABRN C[C@@H](CC(=O)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1)C2)n1nnc2ccccc21 ZINC000012181192 221162490 /nfs/dbraw/zinc/16/24/90/221162490.db2.gz HLUZQYMCHWQOSW-SHFXZJCHSA-N 0 0 392.478 4.459 40 0 GIABRN COc1ccc(OC)c(CNc2ncc(-c3cc(C)no3)c(-c3ccco3)n2)c1 ZINC000012184344 221163911 /nfs/dbraw/zinc/16/39/11/221163911.db2.gz JXDKZXAIESNXTA-UHFFFAOYSA-N 0 0 392.415 4.329 40 0 GIABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(N(C)C)cc1 ZINC000014426657 221310199 /nfs/dbraw/zinc/31/01/99/221310199.db2.gz ZRJVQTOBEUPHFZ-NYYWCZLTSA-N 0 0 375.266 4.176 40 0 GIABRN COc1ccc(-c2c(C)nn3c2nnc2c3C[C@@H](c3cccs3)CC2=O)cc1 ZINC000014607733 221313732 /nfs/dbraw/zinc/31/37/32/221313732.db2.gz PKYRHZJPYVPSAI-CQSZACIVSA-N 0 0 390.468 4.083 40 0 GIABRN COc1ccc(C(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000408835147 533277790 /nfs/dbraw/zinc/27/77/90/533277790.db2.gz MPDOFTSYRGVMAV-UHFFFAOYSA-N 0 0 381.350 4.324 40 0 GIABRN COCCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000014795953 533291152 /nfs/dbraw/zinc/29/11/52/533291152.db2.gz NPFLWBUFYSIOLU-UHFFFAOYSA-N 0 0 381.259 4.012 40 0 GIABRN COCCN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2F)C1=O ZINC000409126691 533340753 /nfs/dbraw/zinc/34/07/53/533340753.db2.gz FLVQJCPQMAFZJA-LDADJPATSA-N 0 0 387.432 4.087 40 0 GIABRN COc1ccc(C(=O)Oc2ccc(-c3ccccc3)nn2)cc1Br ZINC000408531702 533352758 /nfs/dbraw/zinc/35/27/58/533352758.db2.gz WUZZMCWZYOFOHQ-UHFFFAOYSA-N 0 0 385.217 4.134 40 0 GIABRN COc1cc(C)c(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1C(C)C ZINC000409085496 533563885 /nfs/dbraw/zinc/56/38/85/533563885.db2.gz DAXWYEMTEURBQC-RQZCQDPDSA-N 0 0 391.489 4.115 40 0 GIABRN Cc1nc([C@H]2CCCN(c3ccc(Cl)cc3)C2)ncc1C(=O)N1CCCCC1 ZINC000072346324 136168709 /nfs/dbraw/zinc/16/87/09/136168709.db2.gz YHGIZXGVXGJAKV-KRWDZBQOSA-N 0 0 398.938 4.449 40 0 GIABRN Fc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCCc3ccccc32)cc1 ZINC000001337713 136193165 /nfs/dbraw/zinc/19/31/65/136193165.db2.gz MBYPTYYTTACAID-QHCPKHFHSA-N 0 0 399.473 4.403 40 0 GIABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCCN2CCCc3ccccc32)c1 ZINC000219305083 136204123 /nfs/dbraw/zinc/20/41/23/136204123.db2.gz BVKBZTRGBLEYRS-FQEVSTJZSA-N 0 0 380.532 4.338 40 0 GIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCN1CCCc2ccccc21 ZINC000219323222 136204160 /nfs/dbraw/zinc/20/41/60/136204160.db2.gz CKTRMJKTFXTYFF-HXUWFJFHSA-N 0 0 386.923 4.457 40 0 GIABRN Cc1ccc(N2CCC(C(=O)NCCSCc3ccccc3F)CC2)cc1 ZINC000219861373 136204396 /nfs/dbraw/zinc/20/43/96/136204396.db2.gz GZUSCNAGFYEIEX-UHFFFAOYSA-N 0 0 386.536 4.400 40 0 GIABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(C)cc2)CC1 ZINC000219855285 136204457 /nfs/dbraw/zinc/20/44/57/136204457.db2.gz VACBIMGRKIXDNB-SFHVURJKSA-N 0 0 393.531 4.378 40 0 GIABRN Cc1ccc(Cl)cc1N1CCN(C(=O)CSCc2ccccc2F)CC1 ZINC000222701735 136204973 /nfs/dbraw/zinc/20/49/73/136204973.db2.gz XQBKRKFWNTWBOL-UHFFFAOYSA-N 0 0 392.927 4.370 40 0 GIABRN CCc1ccc(O[C@@H](CC)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000222884036 136205197 /nfs/dbraw/zinc/20/51/97/136205197.db2.gz FEPOODFMFUBCDY-NRFANRHFSA-N 0 0 386.923 4.409 40 0 GIABRN COc1ccc(CNC(=S)Nc2ccc(N3C[C@@H](C)C[C@H](C)C3)nc2)cc1 ZINC000223926983 136206048 /nfs/dbraw/zinc/20/60/48/136206048.db2.gz KEIAPTMPMPXHAE-HOTGVXAUSA-N 0 0 384.549 4.059 40 0 GIABRN O=C(NCCOc1ccccc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000224328635 136206910 /nfs/dbraw/zinc/20/69/10/136206910.db2.gz GCMGPWWAJLZTEV-UHFFFAOYSA-N 0 0 386.495 4.448 40 0 GIABRN CC(C)(C)OC(=O)N1CCC(CNc2nc3ccccc3nc2Cl)CC1 ZINC000040434725 221925641 /nfs/dbraw/zinc/92/56/41/221925641.db2.gz DZKBAYXWIGPXRR-UHFFFAOYSA-N 0 0 376.888 4.342 40 0 GIABRN CC(C)CNC(=O)c1ccccc1NC(=O)Cc1cccc(Br)c1 ZINC000072064072 222204716 /nfs/dbraw/zinc/20/47/16/222204716.db2.gz KGYFYFZLJJLNPV-UHFFFAOYSA-N 0 0 389.293 4.016 40 0 GIABRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000118915241 222523264 /nfs/dbraw/zinc/52/32/64/222523264.db2.gz QEEBRPGZBVVINN-SVXFUOERSA-N 0 0 386.532 4.242 40 0 GIABRN Cc1ccc(C)c(NC(=O)c2ccc(N3C(=O)[C@@H]4CC(C)=CC[C@@H]4C3=O)cc2)c1 ZINC000408679092 533686379 /nfs/dbraw/zinc/68/63/79/533686379.db2.gz GDKCSEVZNLMGDG-VQTJNVASSA-N 0 0 388.467 4.401 40 0 GIABRN COc1ccc(CSCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 ZINC000408564682 533730562 /nfs/dbraw/zinc/73/05/62/533730562.db2.gz DOJNFIUSGZQPOB-UHFFFAOYSA-N 0 0 386.517 4.095 40 0 GIABRN COc1cc(Cl)c(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000409106052 533924167 /nfs/dbraw/zinc/92/41/67/533924167.db2.gz KMPBFWHIVPYRPK-MKMNVTDBSA-N 0 0 393.226 4.108 40 0 GIABRN COc1ccccc1C(=O)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl ZINC000408624013 533968037 /nfs/dbraw/zinc/96/80/37/533968037.db2.gz ALGIWGLLLGBJHX-UHFFFAOYSA-N 0 0 388.798 4.494 40 0 GIABRN Cc1cc(O[C@@H](C)C(=O)N(C)Cc2nnc(-c3ccccc3)o2)ccc1Cl ZINC000408714086 534028280 /nfs/dbraw/zinc/02/82/80/534028280.db2.gz IEENRSGZAYINHM-AWEZNQCLSA-N 0 0 385.851 4.124 40 0 GIABRN Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000103718790 534080827 /nfs/dbraw/zinc/08/08/27/534080827.db2.gz LZJFGLFRLQMCBV-CQSZACIVSA-N 0 0 376.378 4.314 40 0 GIABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cccnc1Cl ZINC000408623199 534141333 /nfs/dbraw/zinc/14/13/33/534141333.db2.gz RYHCAYKLNPAVKD-UHFFFAOYSA-N 0 0 381.798 4.169 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=O)CSCc2ccc(OC)cc2)c1 ZINC000008117399 534160141 /nfs/dbraw/zinc/16/01/41/534160141.db2.gz KHMGPKLYJFBGDI-UHFFFAOYSA-N 0 0 379.865 4.007 40 0 GIABRN COc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3)n2)cc1 ZINC000408694547 534177668 /nfs/dbraw/zinc/17/76/68/534177668.db2.gz KFIVEPGWXXNATK-UHFFFAOYSA-N 0 0 388.402 4.334 40 0 GIABRN COc1ccc(OC)c(/C=C2/SC(=O)N(CNc3ccccc3C)C2=O)c1 ZINC000059377850 534223829 /nfs/dbraw/zinc/22/38/29/534223829.db2.gz ZELDUHQNEDUVKR-WOJGMQOQSA-N 0 0 384.457 4.118 40 0 GIABRN Cc1cccc(C)c1NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O ZINC000408704552 534677199 /nfs/dbraw/zinc/67/71/99/534677199.db2.gz PMHPFTPMMXNQIR-UHFFFAOYSA-N 0 0 394.496 4.384 40 0 GIABRN Cc1cccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)n1 ZINC000408619096 534747554 /nfs/dbraw/zinc/74/75/54/534747554.db2.gz FZTRVVQTQXIZPI-UHFFFAOYSA-N 0 0 377.469 4.096 40 0 GIABRN Cc1cccc(OCC(=O)Nc2cc(C)c(I)cc2C)c1 ZINC000017080751 534749960 /nfs/dbraw/zinc/74/99/60/534749960.db2.gz WDXGTORUWUZNKC-UHFFFAOYSA-N 0 0 395.240 4.234 40 0 GIABRN Cc1cccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)c1C ZINC000408667543 534745947 /nfs/dbraw/zinc/74/59/47/534745947.db2.gz BIKWDXJUFXIADG-QFIXIFRTSA-N 0 0 388.467 4.257 40 0 GIABRN O=C(Nc1cc(Cl)ccc1Cl)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036171685 534816845 /nfs/dbraw/zinc/81/68/45/534816845.db2.gz FIKXXRCISLNPEQ-UHFFFAOYSA-N 0 0 377.271 4.484 40 0 GIABRN COc1ccc(S(=O)(=O)NCCCc2ccc(F)cc2)c(Cl)c1Cl ZINC000013670653 525058332 /nfs/dbraw/zinc/05/83/32/525058332.db2.gz WYTBIGLMEDQBGV-UHFFFAOYSA-N 0 0 392.279 4.052 40 0 GIABRN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000059418675 534847984 /nfs/dbraw/zinc/84/79/84/534847984.db2.gz CDUFUDYNTJFZSK-YQORSWRPSA-N 0 0 385.850 4.434 40 0 GIABRN CC(=O)Nc1ccccc1SCC(=O)Nc1ccc(Br)cc1C ZINC000409182489 527094309 /nfs/dbraw/zinc/09/43/09/527094309.db2.gz LTPSGTRRZFXXDH-UHFFFAOYSA-N 0 0 393.306 4.447 40 0 GIABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)O)[C@@]4(C)CC(=O)[C@@H]32)C1 ZINC000123201002 527116394 /nfs/dbraw/zinc/11/63/94/527116394.db2.gz KWOUHQLFAVONNL-MZJOKROWSA-N 0 0 376.537 4.137 40 0 GIABRN CC(C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408703967 527727113 /nfs/dbraw/zinc/72/71/13/527727113.db2.gz HOXAMVYWJJYMDA-HXUWFJFHSA-N 0 0 388.920 4.252 40 0 GIABRN CCC1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)CC1 ZINC000408706919 527854156 /nfs/dbraw/zinc/85/41/56/527854156.db2.gz FDLNZAULYBJSRR-ROKHWSDSSA-N 0 0 383.319 4.431 40 0 GIABRN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(C(=O)Nc3ccccc3F)c1)C2=O ZINC000408722221 527896361 /nfs/dbraw/zinc/89/63/61/527896361.db2.gz RPYNWSZLYQEBIW-QMHKHESXSA-N 0 0 394.446 4.394 40 0 GIABRN CCCCC(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 ZINC000408628497 528088022 /nfs/dbraw/zinc/08/80/22/528088022.db2.gz UGCVFCOWSLSOFK-NSHDSACASA-N 0 0 395.594 4.001 40 0 GIABRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(C)c2OC)c1 ZINC000408627980 528091962 /nfs/dbraw/zinc/09/19/62/528091962.db2.gz OYRBCUWFOVDSIM-UHFFFAOYSA-N 0 0 399.516 4.259 40 0 GIABRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)cc3)C2=O)cc1 ZINC000409347415 528111574 /nfs/dbraw/zinc/11/15/74/528111574.db2.gz PUORXLCMXSYCEP-WOJGMQOQSA-N 0 0 396.468 4.191 40 0 GIABRN CC1=NN(C(=O)COc2ccc(Cl)c(C)c2)[C@](O)(c2ccc(Cl)cc2)C1 ZINC000409342869 528146181 /nfs/dbraw/zinc/14/61/81/528146181.db2.gz CGNKYRAWRQYRSE-LJQANCHMSA-N 0 0 393.270 4.134 40 0 GIABRN CCOc1c(Cl)cc(/C=C2\SC(=O)N(C)C2=O)cc1Br ZINC000408819448 528168049 /nfs/dbraw/zinc/16/80/49/528168049.db2.gz SEUGVWFHRGZWCS-POHAHGRESA-N 0 0 376.659 4.167 40 0 GIABRN CCOc1cc(/C=C2/c3ccccc3N(CC)C2=O)c(Br)cc1O ZINC000409110040 528195884 /nfs/dbraw/zinc/19/58/84/528195884.db2.gz QBSPGYSIVRHZEI-ZROIWOOFSA-N 0 0 388.261 4.461 40 0 GIABRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)ccc1OCC(C)C ZINC000409193527 528197939 /nfs/dbraw/zinc/19/79/39/528197939.db2.gz FIWWTHIDMHLCSQ-UNOMPAQXSA-N 0 0 394.471 4.213 40 0 GIABRN CC1CCN(C(=O)c2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)CC1 ZINC000408980077 528226485 /nfs/dbraw/zinc/22/64/85/528226485.db2.gz ULZJDYVGYAWTCQ-UHFFFAOYSA-N 0 0 385.471 4.492 40 0 GIABRN CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1 ZINC000409172533 528369324 /nfs/dbraw/zinc/36/93/24/528369324.db2.gz KEYORRBHAUWORH-LDADJPATSA-N 0 0 396.468 4.069 40 0 GIABRN CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000408706884 528489427 /nfs/dbraw/zinc/48/94/27/528489427.db2.gz GWRKHMOPEMEKKX-UHFFFAOYSA-N 0 0 395.341 4.499 40 0 GIABRN CCOc1cccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)c1O ZINC000106783525 528627576 /nfs/dbraw/zinc/62/75/76/528627576.db2.gz YYGQABZKWDHMGE-AQTBWJFISA-N 0 0 399.468 4.215 40 0 GIABRN CCOC(=O)COc1ccc(/C=C2/c3ccccc3N(CC)C2=O)cc1Cl ZINC000409113891 528841659 /nfs/dbraw/zinc/84/16/59/528841659.db2.gz OPAPACRMZOKMHQ-WJDWOHSUSA-N 0 0 385.847 4.189 40 0 GIABRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCC)c2)cc1 ZINC000408604184 529027471 /nfs/dbraw/zinc/02/74/71/529027471.db2.gz LHXTXJYXDLRCOF-UHFFFAOYSA-N 0 0 388.533 4.278 40 0 GIABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1OC ZINC000408585043 529107547 /nfs/dbraw/zinc/10/75/47/529107547.db2.gz BAHJWGNYSGERIH-UHFFFAOYSA-N 0 0 398.868 4.026 40 0 GIABRN CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000408554842 529112245 /nfs/dbraw/zinc/11/22/45/529112245.db2.gz UXECZQXMHQFKAY-UHFFFAOYSA-N 0 0 389.260 4.363 40 0 GIABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(OC)cc1 ZINC000408705806 529179945 /nfs/dbraw/zinc/17/99/45/529179945.db2.gz NTLSBYNITZSUSV-YWZLYKJASA-N 0 0 384.476 4.020 40 0 GIABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)CC ZINC000408705804 529245204 /nfs/dbraw/zinc/24/52/04/529245204.db2.gz NTLSBYNITZSUSV-MGPUTAFESA-N 0 0 384.476 4.020 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(OC)cc1 ZINC000408705803 529373790 /nfs/dbraw/zinc/37/37/90/529373790.db2.gz NTLSBYNITZSUSV-FOIQADDNSA-N 0 0 384.476 4.020 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2ccccc2)CC1 ZINC000222790360 536047160 /nfs/dbraw/zinc/04/71/60/536047160.db2.gz ZYVQPTABMWAVJS-QHCPKHFHSA-N 0 0 378.516 4.072 40 0 GIABRN O=C([O-])C[C@@H]1CC[N@H+](CC2CCCCC2)C[C@@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000514289403 560032755 /nfs/dbraw/zinc/03/27/55/560032755.db2.gz SDMLVKGQYLNAFP-IRXDYDNUSA-N 0 0 387.499 4.238 40 0 biogenic,in-vitro GIABRN O=C1[C@@H]2C[C@@H](CN2Cc2ccc3ccccc3n2)Oc2ccccc2N1CC1CC1 ZINC000096111799 560061091 /nfs/dbraw/zinc/06/10/91/560061091.db2.gz FAGAIQLZSGSZSN-REWPJTCUSA-N 0 0 399.494 4.013 40 0 biogenic,in-vitro GIABRN c1ccc(CN2CCC[C@H]2c2nc(-c3ccnc(N4CCCC4)c3)no2)cc1 ZINC000035426325 560080659 /nfs/dbraw/zinc/08/06/59/560080659.db2.gz LIVYOJDPWSEUHC-IBGZPJMESA-N 0 0 375.476 4.069 40 0 biogenic,in-vitro GIABRN Cc1cc(F)ccc1Nc1cc(-c2cccnc2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329011443 570212324 /nfs/dbraw/zinc/21/23/24/570212324.db2.gz MEPPAMPTTMRGRE-IBGZPJMESA-N 0 0 381.455 4.159 40 0 GIABRN COc1ccc(Cl)cc1Nc1cc(-c2ccncc2)nc(NC2CCCC2)n1 ZINC000329019414 570213081 /nfs/dbraw/zinc/21/30/81/570213081.db2.gz NWUSYSQSRKREPM-UHFFFAOYSA-N 0 0 395.894 4.143 40 0 GIABRN Cc1nc([C@@H]2CCCCN2Cc2ccc(F)cc2)ncc1C(=O)N1CCCCC1 ZINC000019765732 570217248 /nfs/dbraw/zinc/21/72/48/570217248.db2.gz GQGVXAILSFKCEO-NRFANRHFSA-N 0 0 396.510 4.277 40 0 GIABRN COc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1 ZINC000205614306 570226279 /nfs/dbraw/zinc/22/62/79/570226279.db2.gz QHJZBLQKARKPTJ-ZHZULCJRSA-N 0 0 392.480 4.475 40 0 GIABRN CC(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000585261795 570228883 /nfs/dbraw/zinc/22/88/83/570228883.db2.gz LPWIFBURNGQIIB-XMMPIXPASA-N 0 0 398.506 4.251 40 0 GIABRN Cc1c2cc(F)ccc2[nH]c1C(=O)N(C)[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585272980 570241701 /nfs/dbraw/zinc/24/17/01/570241701.db2.gz LYQDISPSQMYKFJ-KCZVDYSFSA-N 0 0 396.462 4.048 40 0 GIABRN COc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1-c1ccc(CO)o1 ZINC000020141625 570243094 /nfs/dbraw/zinc/24/30/94/570243094.db2.gz VCGWNIDEHWYOKU-UHFFFAOYSA-N 0 0 381.428 4.487 40 0 GIABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)C=Cc1ccccc1 ZINC000020153715 570245233 /nfs/dbraw/zinc/24/52/33/570245233.db2.gz RQBSZYKXVVILHY-XYOKQWHBSA-N 0 0 392.480 4.274 40 0 GIABRN Cc1cccc(-c2nnc3n2c2ccccc2c(=O)n3Cc2ccc(F)cc2)c1 ZINC000006781209 570283956 /nfs/dbraw/zinc/28/39/56/570283956.db2.gz CLSMRWPLMQMSLH-UHFFFAOYSA-N 0 0 384.414 4.207 40 0 GIABRN Cc1ccc(NC(=O)CSc2nnc(COc3cc(C)cc(C)c3)o2)cc1 ZINC000216033498 570294981 /nfs/dbraw/zinc/29/49/81/570294981.db2.gz DMUCILXHLFNWBO-UHFFFAOYSA-N 0 0 383.473 4.305 40 0 GIABRN CC(C)c1ccc(OCC(=O)NCc2ccc(F)cc2)c(Br)c1 ZINC000216165122 570296848 /nfs/dbraw/zinc/29/68/48/570296848.db2.gz YWHXQLDXIZKATM-UHFFFAOYSA-N 0 0 380.257 4.407 40 0 GIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCCc1ccc(OC(C)C)cc1 ZINC000216327811 570299071 /nfs/dbraw/zinc/29/90/71/570299071.db2.gz RVXXKWJGTWSASR-JOCHJYFZSA-N 0 0 385.504 4.389 40 0 GIABRN CCOC(=O)c1ccccc1NC(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000216363558 570299624 /nfs/dbraw/zinc/29/96/24/570299624.db2.gz YLZYFLGUNMHGQS-UHFFFAOYSA-N 0 0 385.460 4.232 40 0 GIABRN O=C(NCc1ccccc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000042646673 570303579 /nfs/dbraw/zinc/30/35/79/570303579.db2.gz HKXBZGSLJJNQDU-UHFFFAOYSA-N 0 0 391.176 4.267 40 0 GIABRN COc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccco4)ccc3o2)c1 ZINC000021579640 570306273 /nfs/dbraw/zinc/30/62/73/570306273.db2.gz CLXXKUIBNDAIET-UHFFFAOYSA-N 0 0 393.424 4.223 40 0 GIABRN CCn1cc(C(=O)N[C@H](C)c2ccc(OC)cc2)c(=O)c2cc(Cl)ccc21 ZINC000022235020 570309199 /nfs/dbraw/zinc/30/91/99/570309199.db2.gz PFCDTISFEHFNEU-CYBMUJFWSA-N 0 0 384.863 4.174 40 0 GIABRN CCn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236751 570309564 /nfs/dbraw/zinc/30/95/64/570309564.db2.gz VTVYAKSPCRAZFH-UHFFFAOYSA-N 0 0 378.325 4.432 40 0 GIABRN COC(=O)c1ccccc1NC(=O)c1sc(Nc2ccc(F)cc2)nc1C ZINC000022245916 570310186 /nfs/dbraw/zinc/31/01/86/570310186.db2.gz CCRHFRVWLXPVHB-UHFFFAOYSA-N 0 0 385.420 4.373 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(Br)nc2)cc1 ZINC000072211592 570313730 /nfs/dbraw/zinc/31/37/30/570313730.db2.gz SDKAHPRSMIINFK-INIZCTEOSA-N 0 0 395.322 4.068 40 0 GIABRN Cc1ccc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1Cl ZINC000022387186 570315611 /nfs/dbraw/zinc/31/56/11/570315611.db2.gz DACPUOXJJPDCEU-UHFFFAOYSA-N 0 0 394.924 4.177 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2SC(C)C)cc1 ZINC000072217550 570316648 /nfs/dbraw/zinc/31/66/48/570316648.db2.gz NKHUEBMQBCXPOS-GOSISDBHSA-N 0 0 376.547 4.416 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cnc(N3CCCCC3)cc2C)cc1 ZINC000072219230 570318248 /nfs/dbraw/zinc/31/82/48/570318248.db2.gz IUIGOTRLYZFVIT-NRFANRHFSA-N 0 0 399.560 4.215 40 0 GIABRN N[C@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000072227328 570318914 /nfs/dbraw/zinc/31/89/14/570318914.db2.gz ZHVYVMWKQMDEFG-ZIAGYGMSSA-N 0 0 386.076 4.171 40 0 GIABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)c1 ZINC000022511032 570319040 /nfs/dbraw/zinc/31/90/40/570319040.db2.gz DVKORIVYCPNBGW-GOSISDBHSA-N 0 0 382.504 4.404 40 0 GIABRN N[C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000072227822 570319296 /nfs/dbraw/zinc/31/92/96/570319296.db2.gz VEVFCEWGFLLVMR-UONOGXRCSA-N 0 0 375.177 4.427 40 0 GIABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)N(C)C1CCCCC1 ZINC000022535218 570321153 /nfs/dbraw/zinc/32/11/53/570321153.db2.gz PHEHAGDYVCZBCK-UHFFFAOYSA-N 0 0 386.517 4.201 40 0 GIABRN CCCOc1cccc(C(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)c1 ZINC000408572544 570336196 /nfs/dbraw/zinc/33/61/96/570336196.db2.gz JSHXPJLGTOOWPB-UHFFFAOYSA-N 0 0 393.472 4.202 40 0 GIABRN Cc1cc(OCC(=O)NCCSC2CCCCC2)ccc1Br ZINC000218822972 570341718 /nfs/dbraw/zinc/34/17/18/570341718.db2.gz GZXMVXPJBUCDRX-UHFFFAOYSA-N 0 0 386.355 4.318 40 0 GIABRN O=C(c1cccc(OCc2ccccc2)c1)N1CCN(Cc2ccccc2)CC1 ZINC000218976133 570344943 /nfs/dbraw/zinc/34/49/43/570344943.db2.gz QRFUUDVMHLKPHH-UHFFFAOYSA-N 0 0 386.495 4.224 40 0 GIABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(-c2cccs2)no1 ZINC000219034271 570346319 /nfs/dbraw/zinc/34/63/19/570346319.db2.gz YFVMRSKVYJNYMR-CYBMUJFWSA-N 0 0 379.441 4.035 40 0 GIABRN COc1ccc(-c2nnc(SCC(=O)N(c3ccccc3)C(C)C)n2C)cc1 ZINC000003522572 570347800 /nfs/dbraw/zinc/34/78/00/570347800.db2.gz ROLSKFHQNNNIPH-UHFFFAOYSA-N 0 0 396.516 4.024 40 0 GIABRN C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000219293317 570351616 /nfs/dbraw/zinc/35/16/16/570351616.db2.gz FTRRSCZFGNFJSR-NSHDSACASA-N 0 0 392.242 4.127 40 0 GIABRN CCc1ccccc1O[C@@H](C)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000219296568 570351876 /nfs/dbraw/zinc/35/18/76/570351876.db2.gz NQDZUEXFSVMTBD-ZDUSSCGKSA-N 0 0 385.851 4.036 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1cccc(C)c1C ZINC000219312280 570354039 /nfs/dbraw/zinc/35/40/39/570354039.db2.gz QMYWZJUAOMMEOR-HNNXBMFYSA-N 0 0 385.489 4.231 40 0 GIABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1nc(-c2cccc(C)c2)no1 ZINC000219325457 570354835 /nfs/dbraw/zinc/35/48/35/570354835.db2.gz GTXPBQHJNPPASX-QGZVFWFLSA-N 0 0 385.851 4.172 40 0 GIABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1nc(-c2cccc(C)c2)no1 ZINC000219380471 570357509 /nfs/dbraw/zinc/35/75/09/570357509.db2.gz FELYAXCDGFWDPA-SFHVURJKSA-N 0 0 379.460 4.136 40 0 GIABRN O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)C(F)(F)F ZINC000057316813 570358024 /nfs/dbraw/zinc/35/80/24/570358024.db2.gz CASUCYMGEJKASI-UHFFFAOYSA-N 0 0 397.828 4.163 40 0 GIABRN CC(=O)c1cccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)c1 ZINC000057313182 570360121 /nfs/dbraw/zinc/36/01/21/570360121.db2.gz CUTZJSFFDMVTFR-UHFFFAOYSA-N 0 0 376.250 4.448 40 0 GIABRN COc1ccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)c(OC)c1 ZINC000023393966 570360610 /nfs/dbraw/zinc/36/06/10/570360610.db2.gz FZWICJMCSNKAKX-UHFFFAOYSA-N 0 0 395.459 4.449 40 0 GIABRN COc1ccc(OC)c(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)c1 ZINC000023397348 570360640 /nfs/dbraw/zinc/36/06/40/570360640.db2.gz LOUZHVHLKNXUFZ-UHFFFAOYSA-N 0 0 395.459 4.449 40 0 GIABRN CC(C)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc1 ZINC000006348722 570360720 /nfs/dbraw/zinc/36/07/20/570360720.db2.gz VMGXMJPCRKUZSD-LDADJPATSA-N 0 0 386.517 4.105 40 0 GIABRN CCCOc1cccc(C(=O)NC(=S)Nc2cccc3nc(C)ccc32)c1 ZINC000057315873 570360800 /nfs/dbraw/zinc/36/08/00/570360800.db2.gz SSTAOPYWIQYHLD-UHFFFAOYSA-N 0 0 379.485 4.459 40 0 GIABRN CCCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)OCC)cc2)cc1 ZINC000006415656 570362800 /nfs/dbraw/zinc/36/28/00/570362800.db2.gz JHEQQFMOIHWGSH-UHFFFAOYSA-N 0 0 376.478 4.398 40 0 GIABRN COc1ccc(CCN2CCOc3nc4c(C)cc(C)cc4cc3C2)cc1OC ZINC000057718956 570371269 /nfs/dbraw/zinc/37/12/69/570371269.db2.gz KHVRHHGZFQNBOF-UHFFFAOYSA-N 0 0 392.499 4.306 40 0 GIABRN CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000408629349 570375735 /nfs/dbraw/zinc/37/57/35/570375735.db2.gz XZTRUFLLEWDKGN-UHFFFAOYSA-N 0 0 393.531 4.295 40 0 GIABRN COc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000408625606 570377142 /nfs/dbraw/zinc/37/71/42/570377142.db2.gz FASFMFFDMFXSMQ-UHFFFAOYSA-N 0 0 378.453 4.195 40 0 GIABRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000408625508 570377153 /nfs/dbraw/zinc/37/71/53/570377153.db2.gz YKPQWAMAUUXWIE-UHFFFAOYSA-N 0 0 392.528 4.361 40 0 GIABRN COc1ccc(CNC(=O)CSCc2cccc3ccccc32)cc1OC ZINC000024065612 570378304 /nfs/dbraw/zinc/37/83/04/570378304.db2.gz XMHAZROMKOPQTC-UHFFFAOYSA-N 0 0 381.497 4.407 40 0 GIABRN CCCCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)ccc2OCC)C1=O ZINC000006650226 570379420 /nfs/dbraw/zinc/37/94/20/570379420.db2.gz XDRRDOAUWRTBKA-XNTDXEJSSA-N 0 0 397.880 4.118 40 0 GIABRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccco4)cc3O)oc2c1 ZINC000408627725 570380157 /nfs/dbraw/zinc/38/01/57/570380157.db2.gz NGLUFUIFKAWZQK-UHFFFAOYSA-N 0 0 393.424 4.229 40 0 GIABRN Cc1nnc(SCc2ccccc2)n1NC(=O)c1ccc(OCC(C)C)cc1 ZINC000408629271 570382405 /nfs/dbraw/zinc/38/24/05/570382405.db2.gz UFZAPZVHARQACT-UHFFFAOYSA-N 0 0 396.516 4.298 40 0 GIABRN CCc1ccccc1NC(=O)[C@@H](C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000220352087 570385617 /nfs/dbraw/zinc/38/56/17/570385617.db2.gz PRRLTYGRUJCSQZ-CQSZACIVSA-N 0 0 394.924 4.004 40 0 GIABRN O=C(N[C@H](Cc1ccccc1)C(=O)NC1CCCCCCC1)c1ccccc1 ZINC000023075926 570386123 /nfs/dbraw/zinc/38/61/23/570386123.db2.gz STVXYYKOSJUREH-JOCHJYFZSA-N 0 0 378.516 4.257 40 0 GIABRN CC[C@H](C(=O)Nc1ccc(C)cc1C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220529106 570387855 /nfs/dbraw/zinc/38/78/55/570387855.db2.gz MSWYSMVMLVLQMB-LJQANCHMSA-N 0 0 388.533 4.104 40 0 GIABRN CC[C@@H](C(=O)Nc1cccc(C)c1C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220533334 570388087 /nfs/dbraw/zinc/38/80/87/570388087.db2.gz YOWHYZDYEGAMRT-IBGZPJMESA-N 0 0 388.533 4.104 40 0 GIABRN CCc1ccccc1NC(=O)[C@H](CC)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220529904 570388204 /nfs/dbraw/zinc/38/82/04/570388204.db2.gz GQSLTNRKRWFJOQ-IBGZPJMESA-N 0 0 388.533 4.049 40 0 GIABRN CC[C@H](C(=O)Nc1ccc(Cl)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220559276 570388513 /nfs/dbraw/zinc/38/85/13/570388513.db2.gz WHTGQBZMRPTXAG-GOSISDBHSA-N 0 0 394.924 4.140 40 0 GIABRN O=C(NCCc1cccc2[nH]ccc21)N1CC[C@@]2(c3ccccc3)[C@@H](C1)C2(F)F ZINC000685938943 570398153 /nfs/dbraw/zinc/39/81/53/570398153.db2.gz ZSNSVWOJEYAMTR-IFMALSPDSA-N 0 0 395.453 4.329 40 0 GIABRN CCOCCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1 ZINC000005025939 570399557 /nfs/dbraw/zinc/39/95/57/570399557.db2.gz BLWDBJFTETXIAE-UHFFFAOYSA-N 0 0 377.897 4.112 40 0 GIABRN Cc1cc(S(=O)(=O)[N-]c2nnc(SCc3ccccc3)s2)ccc1F ZINC000121212666 570404355 /nfs/dbraw/zinc/40/43/55/570404355.db2.gz CCIVUYKMSGDPAU-UHFFFAOYSA-N 0 0 395.506 4.079 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 ZINC000222397287 570409611 /nfs/dbraw/zinc/40/96/11/570409611.db2.gz ZSECIUFWMDVDAQ-HSZRJFAPSA-N 0 0 394.559 4.486 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222481603 570411968 /nfs/dbraw/zinc/41/19/68/570411968.db2.gz JUEDBUNZHNEDDZ-IBGZPJMESA-N 0 0 380.532 4.214 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl ZINC000222529396 570413755 /nfs/dbraw/zinc/41/37/55/570413755.db2.gz POMWEERIZXUKJG-AWEZNQCLSA-N 0 0 393.314 4.089 40 0 GIABRN COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OC ZINC000222573264 570415100 /nfs/dbraw/zinc/41/51/00/570415100.db2.gz CRWYQJVFDJPHPJ-MZPVMMEZSA-N 0 0 389.908 4.342 40 0 GIABRN COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1O ZINC000222572972 570415176 /nfs/dbraw/zinc/41/51/76/570415176.db2.gz HVFUZUNPSXRJAS-CIISACIHSA-N 0 0 375.881 4.039 40 0 GIABRN COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222599651 570416020 /nfs/dbraw/zinc/41/60/20/570416020.db2.gz RBQBGYKQJXGKIV-RVHYNSKXSA-N 0 0 390.512 4.470 40 0 GIABRN CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)OCC(C)C)C1=O ZINC000007071549 570417696 /nfs/dbraw/zinc/41/76/96/570417696.db2.gz RCDVSNUGPGRENB-NGWPFTMJSA-N 0 0 391.489 4.099 40 0 GIABRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(C)C)cc2)C1=O ZINC000007077905 570417838 /nfs/dbraw/zinc/41/78/38/570417838.db2.gz QELVAZTWSDQVNU-XGHPXPSOSA-N 0 0 391.489 4.099 40 0 GIABRN COCCn1c(C)c(C)c([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C ZINC000222637848 570417938 /nfs/dbraw/zinc/41/79/38/570417938.db2.gz SVNXKYFPMAQUBX-SVIJTADQSA-N 0 0 384.549 4.044 40 0 GIABRN CCc1ccc(OCC(=O)N[C@@H](C)c2ccccc2OC)c(Br)c1 ZINC000222645136 570418369 /nfs/dbraw/zinc/41/83/69/570418369.db2.gz NKHACKFSNVLMDL-ZDUSSCGKSA-N 0 0 392.293 4.276 40 0 GIABRN O=C(CCc1ccc2c(c1)OCO2)NCCSCc1c(F)cccc1Cl ZINC000222649530 570418652 /nfs/dbraw/zinc/41/86/52/570418652.db2.gz QTUQOPICURZEJX-UHFFFAOYSA-N 0 0 395.883 4.190 40 0 GIABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 ZINC000222659310 570419286 /nfs/dbraw/zinc/41/92/86/570419286.db2.gz PLTOPNOXEKEWAV-LJQANCHMSA-N 0 0 396.531 4.178 40 0 GIABRN Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c(C)c1 ZINC000222673032 570419854 /nfs/dbraw/zinc/41/98/54/570419854.db2.gz CAJGXCCNHARMBO-IBGZPJMESA-N 0 0 396.531 4.014 40 0 GIABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000222673837 570420196 /nfs/dbraw/zinc/42/01/96/570420196.db2.gz KNCMSTKHTQPMMN-INIZCTEOSA-N 0 0 386.923 4.215 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222735263 570423011 /nfs/dbraw/zinc/42/30/11/570423011.db2.gz NOVIIGGABVTYER-FQEVSTJZSA-N 0 0 394.559 4.486 40 0 GIABRN CC(C)CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000222768040 570425064 /nfs/dbraw/zinc/42/50/64/570425064.db2.gz NUNPUANWYGWFJS-HXUWFJFHSA-N 0 0 380.532 4.199 40 0 GIABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000222824741 570427961 /nfs/dbraw/zinc/42/79/61/570427961.db2.gz BMVOCBIQZCNSQM-INIZCTEOSA-N 0 0 376.928 4.474 40 0 GIABRN Cc1ccc(CNC(=O)[C@@H](C)N(Cc2ccc(Cl)cc2)C(=O)C(C)C)cc1 ZINC000222834439 570428179 /nfs/dbraw/zinc/42/81/79/570428179.db2.gz RZQPMCONZJJXMU-QGZVFWFLSA-N 0 0 386.923 4.338 40 0 GIABRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)Nc2ccc(F)cc2)c1 ZINC000026780032 570428579 /nfs/dbraw/zinc/42/85/79/570428579.db2.gz HLWPNNMSNIJPEH-UHFFFAOYSA-N 0 0 399.875 4.154 40 0 GIABRN COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1 ZINC000222841759 570428755 /nfs/dbraw/zinc/42/87/55/570428755.db2.gz CSBGCFBGNLZXEW-NHCUHLMSSA-N 0 0 392.528 4.262 40 0 GIABRN COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 ZINC000222849959 570428953 /nfs/dbraw/zinc/42/89/53/570428953.db2.gz GIFWCCMLJPAWTM-HUUCEWRRSA-N 0 0 377.868 4.008 40 0 GIABRN COc1ccc(C(=O)CSc2nnc(-c3cc(Cl)ccc3OC)o2)cc1 ZINC000007604959 570429396 /nfs/dbraw/zinc/42/93/96/570429396.db2.gz ADNRZZGSSYKSIY-UHFFFAOYSA-N 0 0 390.848 4.382 40 0 GIABRN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)C2 ZINC000005102857 570429481 /nfs/dbraw/zinc/42/94/81/570429481.db2.gz YJWPNBAIXUNLEK-URQYRDFSSA-N 0 0 392.499 4.478 40 0 GIABRN O=S(=O)(Cc1cccc(Br)c1)NCc1cccc2ccccc21 ZINC000222892913 570430492 /nfs/dbraw/zinc/43/04/92/570430492.db2.gz IJEJUKNOODUVNL-UHFFFAOYSA-N 0 0 390.302 4.222 40 0 GIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1nnc(SCC(C)C)s1 ZINC000222908820 570430964 /nfs/dbraw/zinc/43/09/64/570430964.db2.gz UHWYJZDROMCLPO-AWEZNQCLSA-N 0 0 381.523 4.091 40 0 GIABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 ZINC000222913727 570431099 /nfs/dbraw/zinc/43/10/99/570431099.db2.gz VSVXHJGIDWGSOT-WOJBJXKFSA-N 0 0 380.517 4.153 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000222922589 570431412 /nfs/dbraw/zinc/43/14/12/570431412.db2.gz XULWCXBVVCPVRR-FQEVSTJZSA-N 0 0 384.545 4.031 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000005204151 570431457 /nfs/dbraw/zinc/43/14/57/570431457.db2.gz ANCQELJFINCYTH-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN COc1cc(OC)cc(C(=O)N2c3ccc(Br)cc3C[C@@H]2C)c1 ZINC000222931432 570431995 /nfs/dbraw/zinc/43/19/95/570431995.db2.gz WEQLAIZFCRQDHF-NSHDSACASA-N 0 0 376.250 4.058 40 0 GIABRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)CC1=O ZINC000007881878 570432418 /nfs/dbraw/zinc/43/24/18/570432418.db2.gz YFIOBXIOXMFVQW-LBPRGKRZSA-N 0 0 393.270 4.302 40 0 GIABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 ZINC000222950047 570432930 /nfs/dbraw/zinc/43/29/30/570432930.db2.gz AMTMWFDDZHIIOM-UXHICEINSA-N 0 0 377.517 4.040 40 0 GIABRN CCCCc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2CC)cc1 ZINC000005312424 570433631 /nfs/dbraw/zinc/43/36/31/570433631.db2.gz KGDPZSRJDWBJDE-UHFFFAOYSA-N 0 0 395.532 4.433 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222976692 570434680 /nfs/dbraw/zinc/43/46/80/570434680.db2.gz WEZRFMAZHSBAFC-GOSISDBHSA-N 0 0 398.522 4.435 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1C ZINC000222993400 570435645 /nfs/dbraw/zinc/43/56/45/570435645.db2.gz PJGMGGWHKCRCSU-FQEVSTJZSA-N 0 0 396.531 4.016 40 0 GIABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000222998720 570436068 /nfs/dbraw/zinc/43/60/68/570436068.db2.gz PXSCFYPXXCVKRQ-FQEVSTJZSA-N 0 0 385.504 4.227 40 0 GIABRN O=C1S/C(=C\c2ccc(Br)cc2)C(=O)N1c1cccc(O)c1 ZINC000005376212 570436358 /nfs/dbraw/zinc/43/63/58/570436358.db2.gz IYBYOBHSZZLTAN-ZSOIEALJSA-N 0 0 376.231 4.396 40 0 GIABRN O=C(NN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O)c1ccccc1 ZINC000005375961 570436378 /nfs/dbraw/zinc/43/63/78/570436378.db2.gz FBQFCWXTQSPDFR-ZSOIEALJSA-N 0 0 393.251 4.375 40 0 GIABRN Cc1ccccc1N(CCCC(=O)Nc1ccc2ccccc2c1)S(C)(=O)=O ZINC000223035199 570439134 /nfs/dbraw/zinc/43/91/34/570439134.db2.gz YOAIMRABZFNJCL-UHFFFAOYSA-N 0 0 396.512 4.333 40 0 GIABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 ZINC000223062745 570441210 /nfs/dbraw/zinc/44/12/10/570441210.db2.gz ICLNQRQKWCUBHP-RTWAWAEBSA-N 0 0 398.576 4.397 40 0 GIABRN CC(C)CCn1c2nnc(SCCc3ccccc3)n2c2ccccc2c1=O ZINC000005492216 570442188 /nfs/dbraw/zinc/44/21/88/570442188.db2.gz SIRUNLUWCSEOBX-UHFFFAOYSA-N 0 0 392.528 4.425 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1 ZINC000223090303 570442412 /nfs/dbraw/zinc/44/24/12/570442412.db2.gz LYLHRKRIQGSNNG-FQEVSTJZSA-N 0 0 396.531 4.016 40 0 GIABRN CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)Cc1ccc(F)cc1 ZINC000223093517 570442760 /nfs/dbraw/zinc/44/27/60/570442760.db2.gz XBEYKBXCUPLLSR-UHFFFAOYSA-N 0 0 381.451 4.374 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(C)cc1 ZINC000223128722 570445142 /nfs/dbraw/zinc/44/51/42/570445142.db2.gz UQAWZTKRXWYTQW-ROUUACIJSA-N 0 0 384.495 4.009 40 0 GIABRN COc1ccc2nc(C)c(C(=O)Nc3cc(-c4cccc(F)c4)[nH]n3)cc2c1 ZINC000223138190 570445795 /nfs/dbraw/zinc/44/57/95/570445795.db2.gz NCUBZKJCVARFNM-UHFFFAOYSA-N 0 0 376.391 4.333 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 ZINC000223149648 570447170 /nfs/dbraw/zinc/44/71/70/570447170.db2.gz WMYJXNIAWOAQRM-SFHVURJKSA-N 0 0 393.314 4.089 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223178312 570448101 /nfs/dbraw/zinc/44/81/01/570448101.db2.gz IOGDKKBZUQBTPH-SFHVURJKSA-N 0 0 393.314 4.089 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 ZINC000223175791 570448256 /nfs/dbraw/zinc/44/82/56/570448256.db2.gz BTYIACILRKXCNK-NRFANRHFSA-N 0 0 396.531 4.096 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000223194315 570449064 /nfs/dbraw/zinc/44/90/64/570449064.db2.gz MIBLQUUPAVPUBZ-SFHVURJKSA-N 0 0 393.314 4.089 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCSCc2ccc(Cl)cc2)c(C)c1 ZINC000223203839 570449851 /nfs/dbraw/zinc/44/98/51/570449851.db2.gz VYBAAEKJVZPFHJ-UHFFFAOYSA-N 0 0 399.965 4.177 40 0 GIABRN Cc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc4c(c3)CCCC4)n2)c1 ZINC000223218596 570450743 /nfs/dbraw/zinc/45/07/43/570450743.db2.gz RMUPTBCUMRNHPD-INIZCTEOSA-N 0 0 391.471 4.008 40 0 GIABRN Cc1cc(O[C@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)ccc1Cl ZINC000028188998 570451908 /nfs/dbraw/zinc/45/19/08/570451908.db2.gz CEKHRCJXGYKTIM-GFCCVEGCSA-N 0 0 391.880 4.186 40 0 GIABRN COc1cc2c(cc1S(=O)(=O)N[C@@H](C)c1ccc3c(c1)CCC3)CCCC2 ZINC000223254493 570453118 /nfs/dbraw/zinc/45/31/18/570453118.db2.gz KVAOOBGOQIGJQD-HNNXBMFYSA-N 0 0 385.529 4.102 40 0 GIABRN COc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)Nc1cccc2c1CCCC2 ZINC000035289564 570455081 /nfs/dbraw/zinc/45/50/81/570455081.db2.gz NCCPSASNGKEAAU-HXUWFJFHSA-N 0 0 393.487 4.209 40 0 GIABRN CC(C)COc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)N(C)C)no2)cc1 ZINC000028296151 570457665 /nfs/dbraw/zinc/45/76/65/570457665.db2.gz GXAMKQUGPZILPI-LJQANCHMSA-N 0 0 397.475 4.002 40 0 GIABRN CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223311939 570457670 /nfs/dbraw/zinc/45/76/70/570457670.db2.gz HCYWEECQXHSCFY-SIKLNZKXSA-N 0 0 380.532 4.341 40 0 GIABRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)COc2ccc(C)cc2)cc1C(C)C ZINC000223313141 570457729 /nfs/dbraw/zinc/45/77/29/570457729.db2.gz MEEQJWPYELGSQG-KRWDZBQOSA-N 0 0 391.533 4.181 40 0 GIABRN CCCOc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc1 ZINC000005864625 570459821 /nfs/dbraw/zinc/45/98/21/570459821.db2.gz SSPCFZODZJBLPW-UHFFFAOYSA-N 0 0 399.516 4.197 40 0 GIABRN CCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCCOC(C)C)c1ccccc1 ZINC000223341007 570459912 /nfs/dbraw/zinc/45/99/12/570459912.db2.gz NZAWBELBRULHAR-QHCPKHFHSA-N 0 0 396.531 4.098 40 0 GIABRN CCCc1nc2ccccc2c(SCC(=O)Nc2ccc3c(c2)OCO3)n1 ZINC000035291563 570460257 /nfs/dbraw/zinc/46/02/57/570460257.db2.gz MMCAESNDSXKSGW-UHFFFAOYSA-N 0 0 381.457 4.042 40 0 GIABRN COc1cc2[nH]c(-c3ccc(Br)c(N)c3)nc2c(Br)c1 ZINC000226343746 570460474 /nfs/dbraw/zinc/46/04/74/570460474.db2.gz RTJUHDVLLNLJTN-UHFFFAOYSA-N 0 0 397.070 4.346 40 0 GIABRN CNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223354817 570461261 /nfs/dbraw/zinc/46/12/61/570461261.db2.gz RBYWFWWCHFVXQJ-XMMPIXPASA-N 0 0 386.495 4.135 40 0 GIABRN COc1ccc([C@@H](OC(=O)c2cccs2)C(=O)NCc2ccc(C)cc2)cc1 ZINC000035312458 570467331 /nfs/dbraw/zinc/46/73/31/570467331.db2.gz CEWOWISMONHKRM-HXUWFJFHSA-N 0 0 395.480 4.280 40 0 GIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCC(C)C)c1ccccc1 ZINC000223479926 570467756 /nfs/dbraw/zinc/46/77/56/570467756.db2.gz FCWAAJGYIJZAEY-QFIPXVFZSA-N 0 0 384.495 4.468 40 0 GIABRN O=C(Nc1cccc2ccccc21)[C@H]1CCCN(C(=O)NCc2ccccc2)C1 ZINC000035313612 570468314 /nfs/dbraw/zinc/46/83/14/570468314.db2.gz CGJYYESRVIPOPL-FQEVSTJZSA-N 0 0 387.483 4.400 40 0 GIABRN CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1 ZINC000223486109 570468335 /nfs/dbraw/zinc/46/83/35/570468335.db2.gz QCIUNLFFZFWDSK-VQTJNVASSA-N 0 0 377.517 4.032 40 0 GIABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223495829 570468755 /nfs/dbraw/zinc/46/87/55/570468755.db2.gz ORYPGDMVFLVYFQ-QHCPKHFHSA-N 0 0 394.559 4.339 40 0 GIABRN CCc1nc(SCC(=O)Nc2ccccc2-c2ccccc2)[nH]c(=O)c1C ZINC000035314484 570469033 /nfs/dbraw/zinc/46/90/33/570469033.db2.gz DIQGVCPDCBPZHR-UHFFFAOYSA-N 0 0 379.485 4.039 40 0 GIABRN O=C(CN1c2cccc3cccc(c23)C1=O)NCCOc1cccc2ccccc21 ZINC000223524479 570469450 /nfs/dbraw/zinc/46/94/50/570469450.db2.gz SNVSFXGGNFVRSY-UHFFFAOYSA-N 0 0 396.446 4.148 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)COc3cccc4c3CCCC4)s2)cc1 ZINC000223526154 570469561 /nfs/dbraw/zinc/46/95/61/570469561.db2.gz VZJFSRRHCTVDBT-UHFFFAOYSA-N 0 0 395.484 4.110 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000223543967 570470340 /nfs/dbraw/zinc/47/03/40/570470340.db2.gz DHYSQROSBTXJMQ-LJQANCHMSA-N 0 0 388.511 4.326 40 0 GIABRN CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccn1 ZINC000223544695 570470465 /nfs/dbraw/zinc/47/04/65/570470465.db2.gz AKCGOSDTNXYOCN-WOJBJXKFSA-N 0 0 377.517 4.032 40 0 GIABRN CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CC ZINC000223548115 570470718 /nfs/dbraw/zinc/47/07/18/570470718.db2.gz UPQKGWJTHOUKQQ-QHCPKHFHSA-N 0 0 396.531 4.482 40 0 GIABRN CC[C@H](Oc1ccccc1OC)C(=O)NCCOc1cccc2ccccc21 ZINC000223556571 570471049 /nfs/dbraw/zinc/47/10/49/570471049.db2.gz VPPGCVQWKBWTOX-IBGZPJMESA-N 0 0 379.456 4.201 40 0 GIABRN Cc1nc(NC(=S)NC(=O)c2cc3ccccc3o2)ccc1Br ZINC000006235734 570472930 /nfs/dbraw/zinc/47/29/30/570472930.db2.gz CTIWMFXXGWHMAU-UHFFFAOYSA-N 0 0 390.262 4.026 40 0 GIABRN COc1c(Cl)cc(C(=O)Nc2nc3ccc(NC(C)=O)cc3o2)cc1Cl ZINC000006305012 570476459 /nfs/dbraw/zinc/47/64/59/570476459.db2.gz RLUZXPUODOVWGN-UHFFFAOYSA-N 0 0 394.214 4.354 40 0 GIABRN CCc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(OC)cc2)cc1 ZINC000223656298 570477069 /nfs/dbraw/zinc/47/70/69/570477069.db2.gz YSXMVHPYVLHOHL-QNGOZBTKSA-N 0 0 390.439 4.260 40 0 GIABRN O=C(NCC1CCN(C(=O)c2ccccc2Cl)CC1)c1ccccc1Cl ZINC000006336064 570477354 /nfs/dbraw/zinc/47/73/54/570477354.db2.gz RIBNRJZODZGLCQ-UHFFFAOYSA-N 0 0 391.298 4.276 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)COc2cccc3c2CCCC3)cc1Cl ZINC000223670297 570477969 /nfs/dbraw/zinc/47/79/69/570477969.db2.gz KBLBXLMHBWXHRP-UHFFFAOYSA-N 0 0 387.863 4.413 40 0 GIABRN CCOc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000000780431 570479366 /nfs/dbraw/zinc/47/93/66/570479366.db2.gz MNOXONMQJVDQGL-UHFFFAOYSA-N 0 0 386.879 4.230 40 0 GIABRN O=C(NCc1ccccc1Cl)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000223707423 570480711 /nfs/dbraw/zinc/48/07/11/570480711.db2.gz DSHJLGMEEDLWRO-UYRXBGFRSA-N 0 0 396.899 4.489 40 0 GIABRN COc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000006515761 570482265 /nfs/dbraw/zinc/48/22/65/570482265.db2.gz NATJZQHHULYCNO-UHFFFAOYSA-N 0 0 383.517 4.058 40 0 GIABRN CCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223761148 570483388 /nfs/dbraw/zinc/48/33/88/570483388.db2.gz NCFSROXRQHZLFS-DYESRHJHSA-N 0 0 384.495 4.090 40 0 GIABRN CCOc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)c1 ZINC000006570264 570483428 /nfs/dbraw/zinc/48/34/28/570483428.db2.gz DVWAURFDTDQAIF-UHFFFAOYSA-N 0 0 383.517 4.202 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl ZINC000223769547 570483795 /nfs/dbraw/zinc/48/37/95/570483795.db2.gz QILSCLBLTQRGNA-AWEZNQCLSA-N 0 0 393.314 4.089 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000223769615 570483805 /nfs/dbraw/zinc/48/38/05/570483805.db2.gz ORRGTUQFCNFAPE-CQSZACIVSA-N 0 0 393.314 4.089 40 0 GIABRN CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(OC)cc1 ZINC000223779218 570484233 /nfs/dbraw/zinc/48/42/33/570484233.db2.gz PKDZZOCILVWOSB-PMACEKPBSA-N 0 0 378.501 4.089 40 0 GIABRN COc1ccc(C(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1C ZINC000223783669 570484346 /nfs/dbraw/zinc/48/43/46/570484346.db2.gz VCHKECOJFPMPSP-UHFFFAOYSA-N 0 0 379.460 4.281 40 0 GIABRN CCC(=O)Oc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1OC ZINC000000818000 570484644 /nfs/dbraw/zinc/48/46/44/570484644.db2.gz PFFRQSTXKRGRKF-GDNBJRDFSA-N 0 0 385.803 4.009 40 0 GIABRN C[C@@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000223840308 570486502 /nfs/dbraw/zinc/48/65/02/570486502.db2.gz DXPXRXIMKQACJO-GXPOEHQZSA-N 0 0 395.480 4.101 40 0 GIABRN COc1ccc(CN(C)C(=O)CSCc2ccc(Cl)cc2F)cc1OC ZINC000223859099 570487613 /nfs/dbraw/zinc/48/76/13/570487613.db2.gz WFXHTSZYMRDXBQ-UHFFFAOYSA-N 0 0 397.899 4.388 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C)cc1 ZINC000223871384 570487927 /nfs/dbraw/zinc/48/79/27/570487927.db2.gz QKQODWNXHDRISX-GOSISDBHSA-N 0 0 384.495 4.010 40 0 GIABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccs2)cc1 ZINC000223882593 570488318 /nfs/dbraw/zinc/48/83/18/570488318.db2.gz WEVOANVJZFDUAO-MOPGFXCFSA-N 0 0 380.542 4.386 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC3=CCCCC3)ccc2C)cc1 ZINC000223943478 570491279 /nfs/dbraw/zinc/49/12/79/570491279.db2.gz GYKHCHVZIPYWJN-UHFFFAOYSA-N 0 0 398.528 4.334 40 0 GIABRN Fc1ccc(CNC(=S)Nc2ccc(N3Cc4ccccc4C3)nc2)cc1 ZINC000223948252 570491428 /nfs/dbraw/zinc/49/14/28/570491428.db2.gz CWCRYEOGMVUIHP-UHFFFAOYSA-N 0 0 378.476 4.228 40 0 GIABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1C ZINC000030756476 570495152 /nfs/dbraw/zinc/49/51/52/570495152.db2.gz XGMCCORJLUGPDY-KRWDZBQOSA-N 0 0 392.455 4.232 40 0 GIABRN COc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1 ZINC000006826402 570496332 /nfs/dbraw/zinc/49/63/32/570496332.db2.gz SKBQSMYPJVKPHT-UHFFFAOYSA-N 0 0 391.905 4.394 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000224073309 570497179 /nfs/dbraw/zinc/49/71/79/570497179.db2.gz LGHAIHXESFFVIF-GOSISDBHSA-N 0 0 398.522 4.399 40 0 GIABRN Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C)c2)c1 ZINC000224129562 570500138 /nfs/dbraw/zinc/50/01/38/570500138.db2.gz WBUZZVLMKSXZON-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN COC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2C(C)(C)C)c1 ZINC000224176488 570502343 /nfs/dbraw/zinc/50/23/43/570502343.db2.gz WAJDNCICOYDXKA-MRXNPFEDSA-N 0 0 385.504 4.336 40 0 GIABRN CCOc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)cc1OCC ZINC000031054566 570502781 /nfs/dbraw/zinc/50/27/81/570502781.db2.gz ZAQHQIUPJAUKLB-UHFFFAOYSA-N 0 0 377.824 4.176 40 0 GIABRN COC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccc(C(C)(C)C)cc2)c1 ZINC000224188089 570503105 /nfs/dbraw/zinc/50/31/05/570503105.db2.gz ZUWYXIQTYKYFLH-INIZCTEOSA-N 0 0 385.504 4.336 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224207026 570503664 /nfs/dbraw/zinc/50/36/64/570503664.db2.gz DRRJETFVQWFPPI-FQEVSTJZSA-N 0 0 380.532 4.035 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000224211367 570503700 /nfs/dbraw/zinc/50/37/00/570503700.db2.gz RCWFBWBOOIZQSN-JOCHJYFZSA-N 0 0 380.532 4.098 40 0 GIABRN CCc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N3CCC(C)CC3)n12 ZINC000000877145 570503857 /nfs/dbraw/zinc/50/38/57/570503857.db2.gz YAGVTIQKEPQWBN-UHFFFAOYSA-N 0 0 382.533 4.104 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(CC)cc1 ZINC000224217491 570504158 /nfs/dbraw/zinc/50/41/58/570504158.db2.gz ODXSDOWRRSMHDC-QHCPKHFHSA-N 0 0 394.559 4.434 40 0 GIABRN COc1ccc([C@H]2c3cc4c(cc3O[C@H](N3CCCC3)[C@@H]2C)OCO4)c(OC)c1 ZINC000031430149 570504396 /nfs/dbraw/zinc/50/43/96/570504396.db2.gz CWGZLDXNHSPGLY-ILFDSTAHSA-N 0 0 397.471 4.015 40 0 GIABRN COc1ccc(C(=O)NCc2ccccc2)cc1COc1ccccc1OC ZINC000224238507 570504841 /nfs/dbraw/zinc/50/48/41/570504841.db2.gz FJJIFKBPSWPVKN-UHFFFAOYSA-N 0 0 377.440 4.213 40 0 GIABRN COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1cccc(C)c1 ZINC000224230565 570505008 /nfs/dbraw/zinc/50/50/08/570505008.db2.gz PBWBTKBUPXCHGH-LEWJYISDSA-N 0 0 392.528 4.015 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)c(C)c1C ZINC000224260385 570506011 /nfs/dbraw/zinc/50/60/11/570506011.db2.gz LZWPRPJSEUPEGW-UHFFFAOYSA-N 0 0 384.295 4.184 40 0 GIABRN COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1cccc2ccccc21 ZINC000224299636 570507760 /nfs/dbraw/zinc/50/77/60/570507760.db2.gz FVWVITPOYYBOPP-FQEVSTJZSA-N 0 0 391.467 4.336 40 0 GIABRN C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000000882327 570508309 /nfs/dbraw/zinc/50/83/09/570508309.db2.gz GAWVFYNOFWVFDG-LBPRGKRZSA-N 0 0 385.876 4.460 40 0 GIABRN COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1ccc2ccccc2c1 ZINC000224310782 570508516 /nfs/dbraw/zinc/50/85/16/570508516.db2.gz XREIYGKJEYVESJ-QFIPXVFZSA-N 0 0 391.467 4.336 40 0 GIABRN CCCCc1ccc2[nH]c(=NC(=S)NC(=O)c3ccccc3F)sc2c1 ZINC000032118963 570509082 /nfs/dbraw/zinc/50/90/82/570509082.db2.gz CMMILDKSWWUTRQ-UHFFFAOYSA-N 0 0 387.505 4.327 40 0 GIABRN CCC1(CC)C[C@@H](NS(=O)(=O)c2cc(F)ccc2OC)c2ccccc2O1 ZINC000224330656 570509372 /nfs/dbraw/zinc/50/93/72/570509372.db2.gz VFRGTGXIAZEXEG-MRXNPFEDSA-N 0 0 393.480 4.195 40 0 GIABRN CCN(c1ccc(C(=O)Nc2cccc(C)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000224353746 570510410 /nfs/dbraw/zinc/51/04/10/570510410.db2.gz CNGMQCGVTQVVNM-UHFFFAOYSA-N 0 0 394.496 4.463 40 0 GIABRN Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc2c(n1)[nH]c1ccc(F)cc12 ZINC000000886860 570510954 /nfs/dbraw/zinc/51/09/54/570510954.db2.gz WAXMZVCONPXTQT-LLVKDONJSA-N 0 0 381.436 4.073 40 0 GIABRN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C)cc1C ZINC000000888214 570511370 /nfs/dbraw/zinc/51/13/70/570511370.db2.gz NEXNZWCCPSSNEQ-UHFFFAOYSA-N 0 0 380.517 4.236 40 0 GIABRN CCOc1ccccc1CCCNC(=O)[C@H](C)Oc1cccc2c1CCCC2 ZINC000224404681 570512319 /nfs/dbraw/zinc/51/23/19/570512319.db2.gz GQPGMJKLKOTUOB-SFHVURJKSA-N 0 0 381.516 4.480 40 0 GIABRN O=C(CCSCc1ccccc1)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000007686056 570512356 /nfs/dbraw/zinc/51/23/56/570512356.db2.gz QZEVXHFLMVIPBH-UHFFFAOYSA-N 0 0 387.892 4.330 40 0 GIABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1cccc(OC)c1 ZINC000224460644 570514074 /nfs/dbraw/zinc/51/40/74/570514074.db2.gz SQFJAVAUXLPECO-JOCHJYFZSA-N 0 0 379.456 4.201 40 0 GIABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccccc1OC ZINC000224460292 570514113 /nfs/dbraw/zinc/51/41/13/570514113.db2.gz TYCSEFSGULOAMS-HXUWFJFHSA-N 0 0 379.456 4.201 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)COc3cc(C)c(Cl)c(C)c3)n2)cc1 ZINC000007759297 570514914 /nfs/dbraw/zinc/51/49/14/570514914.db2.gz GIVVBLUNTAPLDR-UHFFFAOYSA-N 0 0 399.878 4.353 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)COc3cc(C)cc(C)c3C)n2)c1 ZINC000007759672 570514963 /nfs/dbraw/zinc/51/49/63/570514963.db2.gz ZXSBKHCRHXFBEM-UHFFFAOYSA-N 0 0 379.460 4.008 40 0 GIABRN Cc1ccccc1OCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000224480928 570515288 /nfs/dbraw/zinc/51/52/88/570515288.db2.gz ZKQFJZMQCDDHJP-UHFFFAOYSA-N 0 0 383.469 4.145 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000224543313 570517567 /nfs/dbraw/zinc/51/75/67/570517567.db2.gz NMNJQQWODIDKHI-HSZRJFAPSA-N 0 0 394.559 4.426 40 0 GIABRN O=C(NCC1CCCCC1)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000224548490 570517841 /nfs/dbraw/zinc/51/78/41/570517841.db2.gz FJEVZBQIDOWADE-UHFFFAOYSA-N 0 0 393.369 4.358 40 0 GIABRN O=C(COc1cccc2ccccc21)N1CCN(c2cccc(Cl)c2)CC1 ZINC000007892278 570519204 /nfs/dbraw/zinc/51/92/04/570519204.db2.gz ZWPIAHJLCHSBMH-UHFFFAOYSA-N 0 0 380.875 4.221 40 0 GIABRN CN(CCCNC(=O)CSCc1ccc(Cl)cc1F)c1ccccc1 ZINC000224581980 570519488 /nfs/dbraw/zinc/51/94/88/570519488.db2.gz HOXOWKYOILQQMP-UHFFFAOYSA-N 0 0 380.916 4.355 40 0 GIABRN CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1cc(C)cc(C)c1C ZINC000224607673 570520422 /nfs/dbraw/zinc/52/04/22/570520422.db2.gz URVWHFULKZBZJK-OAQYLSRUSA-N 0 0 397.515 4.498 40 0 GIABRN CCOc1ccc(S(=O)(=O)N(C)c2ccc(OC3CCCC3)cc2)cc1 ZINC000224609179 570520426 /nfs/dbraw/zinc/52/04/26/570520426.db2.gz KETJUJKXMVTXNQ-UHFFFAOYSA-N 0 0 375.490 4.232 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CCCCCC3)c2)cc1 ZINC000008033391 570521288 /nfs/dbraw/zinc/52/12/88/570521288.db2.gz UMEVDLFCGGFAKM-UHFFFAOYSA-N 0 0 386.517 4.248 40 0 GIABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 ZINC000008073446 570522106 /nfs/dbraw/zinc/52/21/06/570522106.db2.gz JKDSGCQQRONFEQ-UHFFFAOYSA-N 0 0 380.488 4.238 40 0 GIABRN CCc1ccc(NC(=O)Cn2nc(COc3ccccc3C)oc2=S)cc1 ZINC000008086218 570522173 /nfs/dbraw/zinc/52/21/73/570522173.db2.gz ZVBPWHZXQDJPBB-UHFFFAOYSA-N 0 0 383.473 4.294 40 0 GIABRN O=C(CCc1nc(-c2ccccc2)no1)NCc1ccc(Cl)cc1Cl ZINC000008133867 570522678 /nfs/dbraw/zinc/52/26/78/570522678.db2.gz PZYHKNQJGGLLOI-UHFFFAOYSA-N 0 0 376.243 4.292 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C ZINC000224697400 570525263 /nfs/dbraw/zinc/52/52/63/570525263.db2.gz LPTOLHJBDAWVBP-FQEVSTJZSA-N 0 0 380.532 4.098 40 0 GIABRN O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000224707616 570525985 /nfs/dbraw/zinc/52/59/85/570525985.db2.gz RKHANZIGPLQKHK-UHFFFAOYSA-N 0 0 386.495 4.116 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(C(=O)OC)c1C ZINC000224729940 570527343 /nfs/dbraw/zinc/52/73/43/570527343.db2.gz KBGMCLADJMJMSB-NRFANRHFSA-N 0 0 381.472 4.457 40 0 GIABRN CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1COCC(C)C ZINC000224739445 570528140 /nfs/dbraw/zinc/52/81/40/570528140.db2.gz CBVHFCMGFGBTDQ-UHFFFAOYSA-N 0 0 385.460 4.297 40 0 GIABRN CCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COCC(C)C ZINC000224742478 570528520 /nfs/dbraw/zinc/52/85/20/570528520.db2.gz RKMFNVGJNRRVOC-UHFFFAOYSA-N 0 0 384.476 4.469 40 0 GIABRN C=C[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)C1=O ZINC000008334451 570528771 /nfs/dbraw/zinc/52/87/71/570528771.db2.gz LTDDQVOEFHQXCP-CYUIRQCWSA-N 0 0 395.484 4.100 40 0 GIABRN CCCC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC1CCCC1 ZINC000224761966 570529596 /nfs/dbraw/zinc/52/95/96/570529596.db2.gz OAVLYLCTYMDWOV-CQSZACIVSA-N 0 0 395.341 4.025 40 0 GIABRN CCCC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224793092 570530739 /nfs/dbraw/zinc/53/07/39/570530739.db2.gz QJNCXGPMCDVVPC-QFIPXVFZSA-N 0 0 380.532 4.260 40 0 GIABRN C[C@@H]1CC[C@H](C)N(C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)C1 ZINC000000918199 570534341 /nfs/dbraw/zinc/53/43/41/570534341.db2.gz XSNOFYJMPPDSQK-NEPJUHHUSA-N 0 0 392.381 4.269 40 0 GIABRN CCc1ccc(NC(=O)CCc2ncc(-c3ccc(OC)cc3OC)o2)cc1 ZINC000224866841 570535146 /nfs/dbraw/zinc/53/51/46/570535146.db2.gz KCGRQLCGRZOMFM-UHFFFAOYSA-N 0 0 380.444 4.493 40 0 GIABRN CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1O ZINC000224884572 570536381 /nfs/dbraw/zinc/53/63/81/570536381.db2.gz PRFDKXBRTYUCEB-RBUKOAKNSA-N 0 0 398.919 4.439 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c1C ZINC000224895858 570536932 /nfs/dbraw/zinc/53/69/32/570536932.db2.gz AXRDOCOSAQAEJG-UHFFFAOYSA-N 0 0 375.368 4.011 40 0 GIABRN O=C(CSCc1ccc(Cl)cc1F)N1CCN(Cc2ccccc2)CC1 ZINC000224901579 570537339 /nfs/dbraw/zinc/53/73/39/570537339.db2.gz LCHNUQVMIWXNNG-UHFFFAOYSA-N 0 0 392.927 4.057 40 0 GIABRN CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000224901792 570537402 /nfs/dbraw/zinc/53/74/02/570537402.db2.gz MDIXDRBIZODNKT-UHFFFAOYSA-N 0 0 387.288 4.167 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CCc1ccccc1 ZINC000224943703 570539118 /nfs/dbraw/zinc/53/91/18/570539118.db2.gz PSLNFODJHWLBIB-QHCPKHFHSA-N 0 0 394.559 4.241 40 0 GIABRN CCCC[C@@H](CC)CNC(=O)CS(=O)(=O)Cc1cccc2ccccc21 ZINC000224952202 570539533 /nfs/dbraw/zinc/53/95/33/570539533.db2.gz MHFZAUXKPVPSLC-QGZVFWFLSA-N 0 0 375.534 4.087 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2cc(Cl)cc(Cl)c2)cc1Cl ZINC000224955401 570539578 /nfs/dbraw/zinc/53/95/78/570539578.db2.gz OUSJQSONLXMBNO-UHFFFAOYSA-N 0 0 380.680 4.481 40 0 GIABRN COc1cc(OC)cc(-c2nnc(SCC(=O)c3ccc(C)c(C)c3)o2)c1 ZINC000000929502 570539833 /nfs/dbraw/zinc/53/98/33/570539833.db2.gz LWQZCQKNIZWKRN-UHFFFAOYSA-N 0 0 384.457 4.346 40 0 GIABRN Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)N3CCCCCC3)n12 ZINC000000929769 570540255 /nfs/dbraw/zinc/54/02/55/570540255.db2.gz XVKIHNAORBZAPW-UHFFFAOYSA-N 0 0 382.533 4.302 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000224966257 570540415 /nfs/dbraw/zinc/54/04/15/570540415.db2.gz PFQKPKMJVLDBFN-UHFFFAOYSA-N 0 0 380.680 4.481 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000224997435 570542248 /nfs/dbraw/zinc/54/22/48/570542248.db2.gz PCFUAFZWNLMIKH-VQTJNVASSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000224994543 570542268 /nfs/dbraw/zinc/54/22/68/570542268.db2.gz NBUYNQBYCQVAKI-SJORKVTESA-N 0 0 386.923 4.215 40 0 GIABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCC(C)C)cc2c1 ZINC000000933929 570542738 /nfs/dbraw/zinc/54/27/38/570542738.db2.gz CNGLHIWHAMYHQW-UHFFFAOYSA-N 0 0 393.556 4.369 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2ccco2)N1C1CCCC1 ZINC000225011596 570543478 /nfs/dbraw/zinc/54/34/78/570543478.db2.gz JAMKMDWLNCUIBI-NHCUHLMSSA-N 0 0 392.528 4.440 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccccc1 ZINC000225017164 570543703 /nfs/dbraw/zinc/54/37/03/570543703.db2.gz HTIZTBJKXQILRY-WOJBJXKFSA-N 0 0 380.532 4.260 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 ZINC000225050937 570545231 /nfs/dbraw/zinc/54/52/31/570545231.db2.gz VOCVJPBTKRGROA-ZWKOTPCHSA-N 0 0 384.495 4.009 40 0 GIABRN CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225060592 570545992 /nfs/dbraw/zinc/54/59/92/570545992.db2.gz UUOJDYQCGHTWAH-UHFFFAOYSA-N 0 0 383.469 4.150 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C ZINC000225083296 570547548 /nfs/dbraw/zinc/54/75/48/570547548.db2.gz GUHUGXXPRZAVRT-NHCUHLMSSA-N 0 0 394.559 4.486 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 ZINC000225083204 570547553 /nfs/dbraw/zinc/54/75/53/570547553.db2.gz KTJYUSXPVRBOPL-UXHICEINSA-N 0 0 380.532 4.178 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccccc1 ZINC000225104824 570549258 /nfs/dbraw/zinc/54/92/58/570549258.db2.gz XMIKPDRAMSZFGJ-JOCHJYFZSA-N 0 0 380.532 4.261 40 0 GIABRN CCn1c(=O)sc2cc(NC(=O)CSCc3ccc(F)cc3)ccc21 ZINC000225106295 570549359 /nfs/dbraw/zinc/54/93/59/570549359.db2.gz OCQSTZSVZKJGCY-UHFFFAOYSA-N 0 0 376.478 4.094 40 0 GIABRN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1N1CCCC1=O ZINC000225207866 570556115 /nfs/dbraw/zinc/55/61/15/570556115.db2.gz BZWQPUFLLISCMM-QGZVFWFLSA-N 0 0 392.499 4.407 40 0 GIABRN O=C(NCc1cccc2ccccc21)c1ccc(I)cc1 ZINC000070140599 570557253 /nfs/dbraw/zinc/55/72/53/570557253.db2.gz JRZMNLHDNOVKRI-UHFFFAOYSA-N 0 0 387.220 4.374 40 0 GIABRN CC[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000225222970 570557444 /nfs/dbraw/zinc/55/74/44/570557444.db2.gz XCFUYYPMPWBPEF-HXUWFJFHSA-N 0 0 385.529 4.169 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1C ZINC000225270499 570561289 /nfs/dbraw/zinc/56/12/89/570561289.db2.gz SHDMAMMUXNFZJL-UHFFFAOYSA-N 0 0 393.468 4.348 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225281153 570561758 /nfs/dbraw/zinc/56/17/58/570561758.db2.gz RBSWGRDKGWDKDO-QFIPXVFZSA-N 0 0 398.522 4.319 40 0 GIABRN COc1ccccc1N1CCN(C(=S)Nc2ccc(C)cc2Cl)CC1 ZINC000009877158 570561991 /nfs/dbraw/zinc/56/19/91/570561991.db2.gz BFSQRWWMZQQLMP-UHFFFAOYSA-N 0 0 375.925 4.176 40 0 GIABRN S=C(NCCSCc1ccccc1Cl)Nc1ccc2c(c1)OCO2 ZINC000225296048 570562480 /nfs/dbraw/zinc/56/24/80/570562480.db2.gz RHGZEPUTSOKWDS-UHFFFAOYSA-N 0 0 380.922 4.289 40 0 GIABRN Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)COc3ccccc3C)cc2)n1 ZINC000225291932 570562574 /nfs/dbraw/zinc/56/25/74/570562574.db2.gz YZSLWQRUAIYQDN-SFHVURJKSA-N 0 0 377.488 4.054 40 0 GIABRN S=C(NCCSCc1cccc(Cl)c1)Nc1ccc2c(c1)OCO2 ZINC000225299039 570563114 /nfs/dbraw/zinc/56/31/14/570563114.db2.gz KBNPTKKUBUPMCF-UHFFFAOYSA-N 0 0 380.922 4.289 40 0 GIABRN CCOC(=O)C1=C(C)N=C2S[C@@H](c3ccccc3)C(=O)N2[C@@H]1c1ccccc1 ZINC000036624797 570566161 /nfs/dbraw/zinc/56/61/61/570566161.db2.gz AKVCMNUBPUVVJS-MOPGFXCFSA-N 0 0 392.480 4.251 40 0 GIABRN Cc1ccc2[nH]c(C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2c1 ZINC000001326949 570566730 /nfs/dbraw/zinc/56/67/30/570566730.db2.gz GIVVNZGWRBDMAG-UHFFFAOYSA-N 0 0 389.908 4.093 40 0 GIABRN Cc1nc2sc3c(c2c(SCC(=O)NC2CCCC2)n1)CC[C@H](C)C3 ZINC000001326219 570566872 /nfs/dbraw/zinc/56/68/72/570566872.db2.gz PIDKXBRVJVNNST-NSHDSACASA-N 0 0 375.563 4.275 40 0 GIABRN COc1ccc(OCCNC(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000010291535 570567456 /nfs/dbraw/zinc/56/74/56/570567456.db2.gz MMPMKORGHXZMCF-UHFFFAOYSA-N 0 0 377.440 4.083 40 0 GIABRN Cc1ccccc1CSCCNC(=S)Nc1ccc(N2CCCC2=O)cc1 ZINC000225362175 570567657 /nfs/dbraw/zinc/56/76/57/570567657.db2.gz QQWCZNWUYKVKFM-UHFFFAOYSA-N 0 0 399.585 4.342 40 0 GIABRN Cc1cc2nc(-c3ccc(SCC(=O)Nc4nccs4)nc3)[nH]c2cc1C ZINC000001329699 570567767 /nfs/dbraw/zinc/56/77/67/570567767.db2.gz CPWVIHUTKPGMRV-UHFFFAOYSA-N 0 0 395.513 4.429 40 0 GIABRN COc1ccc2c(c1)[C@H](NC(=O)COc1ccc3c(c1)CCCC3)CC(C)(C)O2 ZINC000225383474 570568946 /nfs/dbraw/zinc/56/89/46/570568946.db2.gz DJMHESRMWVNGGA-OAQYLSRUSA-N 0 0 395.499 4.371 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)NCCCc2ccccc2)cc1Cl ZINC000225385596 570569048 /nfs/dbraw/zinc/56/90/48/570569048.db2.gz RYMDCURHYGPIOY-UHFFFAOYSA-N 0 0 376.909 4.436 40 0 GIABRN COC(=O)c1cc(NC(=S)NCCCc2ccc(C)cc2)ccc1Cl ZINC000225388515 570569060 /nfs/dbraw/zinc/56/90/60/570569060.db2.gz JVHBUDRNEUVLID-UHFFFAOYSA-N 0 0 376.909 4.354 40 0 GIABRN O=C(COc1ccc(F)cc1)N1CCc2nc(-c3ccccc3F)sc2C1 ZINC000036752138 570570011 /nfs/dbraw/zinc/57/00/11/570570011.db2.gz AQLTVYLGMVTQKR-UHFFFAOYSA-N 0 0 386.423 4.052 40 0 GIABRN COc1cccc2cc(C(=O)N(Cc3cccs3)C3CCCC3)c(=O)oc21 ZINC000001342133 570570891 /nfs/dbraw/zinc/57/08/91/570570891.db2.gz ZNXDPLBMSXZESL-UHFFFAOYSA-N 0 0 383.469 4.448 40 0 GIABRN COc1cc(OC)cc(-c2cc3nc4c(c(NCC5CC5)n3n2)CCCC4)c1 ZINC000001341782 570571043 /nfs/dbraw/zinc/57/10/43/570571043.db2.gz HRMQAHDMNURZSK-UHFFFAOYSA-N 0 0 378.476 4.114 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSc1ccccc1 ZINC000225421291 570572505 /nfs/dbraw/zinc/57/25/05/570572505.db2.gz SWAOMPRINYKXOJ-RTBURBONSA-N 0 0 398.572 4.153 40 0 GIABRN Cc1nc2ccc(NC(=O)/C=C/c3ccccc3)cc2c(=O)n1Cc1ccccc1 ZINC000001347224 570572619 /nfs/dbraw/zinc/57/26/19/570572619.db2.gz QZOSIODCZRPIIF-NTCAYCPXSA-N 0 0 395.462 4.405 40 0 GIABRN CCCOC(=O)c1ccc(Nc2ccc(I)cc2)c(N)c1 ZINC000225424833 570572920 /nfs/dbraw/zinc/57/29/20/570572920.db2.gz HSPOPMAWEUAYIK-UHFFFAOYSA-N 0 0 396.228 4.184 40 0 GIABRN CC(C)Oc1ccc(CNC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000225447333 570574969 /nfs/dbraw/zinc/57/49/69/570574969.db2.gz OAAVFFXENJQZDA-UHFFFAOYSA-N 0 0 383.517 4.087 40 0 GIABRN CCCC(=O)N(Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000001358880 570575274 /nfs/dbraw/zinc/57/52/74/570575274.db2.gz CMEDSUTURFTCQW-UHFFFAOYSA-N 0 0 395.528 4.192 40 0 GIABRN CCCC(=O)N(Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3)C1CCCCC1 ZINC000001358879 570575276 /nfs/dbraw/zinc/57/52/76/570575276.db2.gz WEDIFQIXCZKWKV-UHFFFAOYSA-N 0 0 387.549 4.325 40 0 GIABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)c3ccncc3)cc2c1 ZINC000001359600 570575727 /nfs/dbraw/zinc/57/57/27/570575727.db2.gz OBRWZZUVHIPWBN-UHFFFAOYSA-N 0 0 397.478 4.383 40 0 GIABRN Cc1cc(C)c2[nH]c(=O)c(CN(C(=O)C(F)(F)F)C3CCCCC3)cc2c1 ZINC000001359523 570575744 /nfs/dbraw/zinc/57/57/44/570575744.db2.gz BAUIUVIVVMQXTF-UHFFFAOYSA-N 0 0 380.410 4.369 40 0 GIABRN CCCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1cccnc1 ZINC000001361241 570576009 /nfs/dbraw/zinc/57/60/09/570576009.db2.gz MEZKWDSRHKZAAN-UHFFFAOYSA-N 0 0 381.505 4.098 40 0 GIABRN Cc1cc(NC(=S)N[C@H]2CCCc3ccccc32)ccc1N1CCCC1=O ZINC000225462173 570576725 /nfs/dbraw/zinc/57/67/25/570576725.db2.gz NQLILNZWHSAPAH-IBGZPJMESA-N 0 0 379.529 4.486 40 0 GIABRN COc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccccc4C)C3)n2)cc1 ZINC000001362687 570576780 /nfs/dbraw/zinc/57/67/80/570576780.db2.gz FCBZWCJYZBOYMD-QGZVFWFLSA-N 0 0 377.444 4.073 40 0 GIABRN COc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)n2)cc1 ZINC000001362728 570577263 /nfs/dbraw/zinc/57/72/63/570577263.db2.gz OFWTUYXRKZHIJN-MRXNPFEDSA-N 0 0 397.862 4.418 40 0 GIABRN Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000001364546 570578109 /nfs/dbraw/zinc/57/81/09/570578109.db2.gz YDSSBHVMXVTYQQ-UHFFFAOYSA-N 0 0 378.501 4.243 40 0 GIABRN CCCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccco1 ZINC000001364405 570578134 /nfs/dbraw/zinc/57/81/34/570578134.db2.gz GJGPEZBMBCFTMG-UHFFFAOYSA-N 0 0 376.869 4.332 40 0 GIABRN O=C(NC1CCCCC1)[C@@H](c1ccco1)N(C(=O)C(F)(F)F)c1ccccc1 ZINC000001366022 570578892 /nfs/dbraw/zinc/57/88/92/570578892.db2.gz FWQLVYACSVEWAJ-QGZVFWFLSA-N 0 0 394.393 4.365 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 ZINC000225491053 570579391 /nfs/dbraw/zinc/57/93/91/570579391.db2.gz ZTFSGLOGJVFZRZ-DYESRHJHSA-N 0 0 384.495 4.090 40 0 GIABRN CCC(=O)N1CCc2cc(-c3csc(NC(=O)Cc4cccs4)n3)ccc21 ZINC000001366677 570579676 /nfs/dbraw/zinc/57/96/76/570579676.db2.gz NVKXTJDCHPFBAY-UHFFFAOYSA-N 0 0 397.525 4.352 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000225492263 570579813 /nfs/dbraw/zinc/57/98/13/570579813.db2.gz VFDMYVTYTDMBJW-DENIHFKCSA-N 0 0 380.532 4.260 40 0 GIABRN Cc1cc2cc(CN(C(=O)C3CCC3)C3CCCCC3)c3nnnn3c2cc1C ZINC000001367437 570580101 /nfs/dbraw/zinc/58/01/01/570580101.db2.gz ZSISGPVTWKWXBK-UHFFFAOYSA-N 0 0 391.519 4.356 40 0 GIABRN CN(C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)C1CCCC1 ZINC000038753353 570581438 /nfs/dbraw/zinc/58/14/38/570581438.db2.gz BXBLWVFBJVJQDT-HSZRJFAPSA-N 0 0 394.540 4.475 40 0 GIABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000038755252 570582294 /nfs/dbraw/zinc/58/22/94/570582294.db2.gz USXGTHOEHFSLNC-JOCHJYFZSA-N 0 0 392.474 4.485 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)NCc2cccc(OC(C)C)c2)c1C ZINC000225524284 570583687 /nfs/dbraw/zinc/58/36/87/570583687.db2.gz SHWUQAROOGZVBB-UHFFFAOYSA-N 0 0 386.517 4.446 40 0 GIABRN CC(C)[C@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1cccs1 ZINC000001381304 570583947 /nfs/dbraw/zinc/58/39/47/570583947.db2.gz GQKVVHOGDUZLQB-NSHDSACASA-N 0 0 393.317 4.009 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 ZINC000225525489 570584149 /nfs/dbraw/zinc/58/41/49/570584149.db2.gz FLADOUAJDUOYGH-GCJKJVERSA-N 0 0 398.522 4.399 40 0 GIABRN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000225535151 570585579 /nfs/dbraw/zinc/58/55/79/570585579.db2.gz BLZCYWNJOKFUSV-JTQLQIEISA-N 0 0 377.828 4.404 40 0 GIABRN COC(=O)c1cccc(NC(=S)NCCCc2ccc(Cl)cc2)c1C ZINC000225544222 570586570 /nfs/dbraw/zinc/58/65/70/570586570.db2.gz HTIDWMBQSNCXLK-UHFFFAOYSA-N 0 0 376.909 4.354 40 0 GIABRN COC(=O)c1ccc(C)c(NC(=S)NCCCc2ccc(Cl)cc2)c1 ZINC000225543990 570586712 /nfs/dbraw/zinc/58/67/12/570586712.db2.gz HBQLPCIBBXSUBW-UHFFFAOYSA-N 0 0 376.909 4.354 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F ZINC000225585908 570591376 /nfs/dbraw/zinc/59/13/76/570591376.db2.gz FSOFJIKGWKQQIF-PGRDOPGGSA-N 0 0 398.522 4.399 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)NCCCSCc2ccccc2)c1 ZINC000225598378 570592313 /nfs/dbraw/zinc/59/23/13/570592313.db2.gz XWPZPICGVMQXAT-UHFFFAOYSA-N 0 0 388.558 4.473 40 0 GIABRN CC(C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc2c1CCCC2 ZINC000225607550 570593248 /nfs/dbraw/zinc/59/32/48/570593248.db2.gz NMCJTBWFSJBVEZ-INIZCTEOSA-N 0 0 380.488 4.110 40 0 GIABRN CCN(CC(=O)Nc1c(C)cccc1C(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000039985458 570595231 /nfs/dbraw/zinc/59/52/31/570595231.db2.gz PETLZVZTMWJFOT-UHFFFAOYSA-N 0 0 388.533 4.076 40 0 GIABRN Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000225643158 570597553 /nfs/dbraw/zinc/59/75/53/570597553.db2.gz PDDQHYYARIVIGJ-KRWDZBQOSA-N 0 0 397.544 4.184 40 0 GIABRN Cc1cccc(C=Cc2ccnc3nc(N4CCc5ccccc5C4)[nH]c(=O)c23)c1 ZINC000040388518 570599697 /nfs/dbraw/zinc/59/96/97/570599697.db2.gz WKSNPOCPQWAGKM-MDZDMXLPSA-N 0 0 394.478 4.360 40 0 GIABRN Cc1cccc(C=Cc2ccnc3nc(N4CCc5ccccc54)[nH]c(=O)c23)c1 ZINC000040388569 570599886 /nfs/dbraw/zinc/59/98/86/570599886.db2.gz LFRAQEMJWWKIFF-MDZDMXLPSA-N 0 0 380.451 4.491 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1Cl ZINC000225705759 570606483 /nfs/dbraw/zinc/60/64/83/570606483.db2.gz GQBPIMGCBPVHHR-UHFFFAOYSA-N 0 0 396.921 4.407 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 ZINC000225712640 570607572 /nfs/dbraw/zinc/60/75/72/570607572.db2.gz OSUQXSWMSQCDQF-JOCHJYFZSA-N 0 0 396.531 4.178 40 0 GIABRN O=C(Cn1ccc(=O)c2cc(Cl)ccc21)NCc1ccc(Cl)cc1Cl ZINC000225722213 570608898 /nfs/dbraw/zinc/60/88/98/570608898.db2.gz RNEOIJKADLLKJB-UHFFFAOYSA-N 0 0 395.673 4.278 40 0 GIABRN CCn1c2ccccc2nc1N1CCC(C(=O)N[C@@H](C)c2cccs2)CC1 ZINC000012116401 570610896 /nfs/dbraw/zinc/61/08/96/570610896.db2.gz FVLXGMISIRXHDM-HNNXBMFYSA-N 0 0 382.533 4.212 40 0 GIABRN O=C(c1ccccc1F)[C@H]1CCCN(C(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC000012116526 570611343 /nfs/dbraw/zinc/61/13/43/570611343.db2.gz WMHDJDLWGQSTFL-ZDUSSCGKSA-N 0 0 383.448 4.012 40 0 GIABRN Cc1cc(-c2cncnc2C2CCN(C(=O)c3ccc4ncccc4c3)CC2)on1 ZINC000012117152 570611685 /nfs/dbraw/zinc/61/16/85/570611685.db2.gz OLPAUJVRVCMAGP-UHFFFAOYSA-N 0 0 399.454 4.008 40 0 GIABRN CCCOc1cc(S(=O)(=O)N2CCCC[C@H]2CC)ccc1Br ZINC000041096765 570615094 /nfs/dbraw/zinc/61/50/94/570615094.db2.gz XXGFPVSFAARRCV-CYBMUJFWSA-N 0 0 390.343 4.191 40 0 GIABRN O=C(CC1CCCCC1)N1CCC[C@H](Cn2nc(-c3cccs3)ccc2=O)C1 ZINC000012145167 570615788 /nfs/dbraw/zinc/61/57/88/570615788.db2.gz HDSVMWONYMTGEH-SFHVURJKSA-N 0 0 399.560 4.181 40 0 GIABRN COc1ccccc1-c1nnc(SCC(=O)OC(C)C)n1-c1ccc(C)cc1 ZINC000004125084 570615737 /nfs/dbraw/zinc/61/57/37/570615737.db2.gz RKDGMDBADLWEGF-UHFFFAOYSA-N 0 0 397.500 4.295 40 0 GIABRN COc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000225786787 570617304 /nfs/dbraw/zinc/61/73/04/570617304.db2.gz QJOSEMKUYOMVNW-GFCCVEGCSA-N 0 0 384.423 4.468 40 0 GIABRN COC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)c1 ZINC000225790206 570617759 /nfs/dbraw/zinc/61/77/59/570617759.db2.gz HULPIDCZQBBFNU-INIZCTEOSA-N 0 0 386.517 4.152 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@@](C)(CC(C)C)OC)ccc1OCC(C)C ZINC000225793117 570618119 /nfs/dbraw/zinc/61/81/19/570618119.db2.gz SDTBCJHIKOBCCP-OAQYLSRUSA-N 0 0 379.497 4.288 40 0 GIABRN Cc1ccc(-c2nnc(NC(=O)COc3cccc4c3CCCC4)s2)cc1 ZINC000225796238 570618160 /nfs/dbraw/zinc/61/81/60/570618160.db2.gz DQESBQGMUSZCTO-UHFFFAOYSA-N 0 0 379.485 4.410 40 0 GIABRN CCCCOc1ccc(NC(=O)C2(OC)CCCCCC2)cc1C(=O)OC ZINC000225806248 570619383 /nfs/dbraw/zinc/61/93/83/570619383.db2.gz KVDKSJOLQJAFRK-UHFFFAOYSA-N 0 0 377.481 4.330 40 0 GIABRN COc1ccccc1NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000225804150 570619420 /nfs/dbraw/zinc/61/94/20/570619420.db2.gz AHWVJDUPJVNKSB-UHFFFAOYSA-N 0 0 391.349 4.335 40 0 GIABRN CCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C(=O)OCC ZINC000225808006 570619874 /nfs/dbraw/zinc/61/98/74/570619874.db2.gz WLSKODHMQZUMEE-VFNWGFHPSA-N 0 0 377.481 4.186 40 0 GIABRN COC(=O)c1cc(NC(=O)C2(OC)CCC(C)CC2)ccc1OCC(C)C ZINC000225810564 570620127 /nfs/dbraw/zinc/62/01/27/570620127.db2.gz DOUCQOSVERMKTQ-UHFFFAOYSA-N 0 0 377.481 4.042 40 0 GIABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1C(=O)OC ZINC000225810524 570620151 /nfs/dbraw/zinc/62/01/51/570620151.db2.gz CWOOGSILPQOCIX-FAGJFJLWSA-N 0 0 377.481 4.184 40 0 GIABRN CCCCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccncc1 ZINC000004161385 570620237 /nfs/dbraw/zinc/62/02/37/570620237.db2.gz HTKAKPHJPVOKCJ-UHFFFAOYSA-N 0 0 381.505 4.179 40 0 GIABRN Cc1ccc(CSCCNC(=O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000225809817 570620269 /nfs/dbraw/zinc/62/02/69/570620269.db2.gz WKKSCCVJGPFDLL-UHFFFAOYSA-N 0 0 383.435 4.442 40 0 GIABRN C[C@H]1Cc2ccccc2N1CCCNC(=O)COc1cccc(C(F)(F)F)c1 ZINC000225814409 570620638 /nfs/dbraw/zinc/62/06/38/570620638.db2.gz COODVJQFGIUPGZ-HNNXBMFYSA-N 0 0 392.421 4.042 40 0 GIABRN Cc1cc(C)cc(OCc2nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)o2)c1 ZINC000004169659 570621489 /nfs/dbraw/zinc/62/14/89/570621489.db2.gz XLKCOBDLYFYTGJ-HZPDHXFCSA-N 0 0 389.521 4.147 40 0 GIABRN CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 ZINC000225821970 570621641 /nfs/dbraw/zinc/62/16/41/570621641.db2.gz AZGPLGUXPQCGCC-OAQYLSRUSA-N 0 0 379.497 4.432 40 0 GIABRN COc1ccc(-c2noc(CNC(=S)Nc3ccc(F)c(Cl)c3)n2)cc1 ZINC000225823888 570621869 /nfs/dbraw/zinc/62/18/69/570621869.db2.gz DUCVVXHXHHCCBY-UHFFFAOYSA-N 0 0 392.843 4.024 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@](C)(OCC)C2CC2)ccc1O[C@@H](C)CC ZINC000225836072 570623821 /nfs/dbraw/zinc/62/38/21/570623821.db2.gz PUBQDOZUQUARQV-LHSJRXKWSA-N 0 0 377.481 4.184 40 0 GIABRN Cc1cc(C(=O)N[C@@H](C)c2nc(-c3cccnc3)no2)c2cccc(Cl)c2n1 ZINC000012202416 570625038 /nfs/dbraw/zinc/62/50/38/570625038.db2.gz SKEVHZCUJYUEQC-LBPRGKRZSA-N 0 0 393.834 4.133 40 0 GIABRN CC(C)(C)c1cc2nc(C3CCN(C(=O)C4CC4)CC3)cc(C(F)(F)F)n2n1 ZINC000012219911 570627657 /nfs/dbraw/zinc/62/76/57/570627657.db2.gz ANTUYTMNXFRFFU-UHFFFAOYSA-N 0 0 394.441 4.162 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)NC2(c3ccccn3)CCCC2)c1C ZINC000225863780 570628328 /nfs/dbraw/zinc/62/83/28/570628328.db2.gz RHHGIIJCIXSJEE-UHFFFAOYSA-N 0 0 383.517 4.323 40 0 GIABRN CCOCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c(C)n1 ZINC000225862272 570628342 /nfs/dbraw/zinc/62/83/42/570628342.db2.gz ALMMJOYFDGWFHX-UHFFFAOYSA-N 0 0 386.467 4.395 40 0 GIABRN COCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c(C)n1 ZINC000225867727 570628581 /nfs/dbraw/zinc/62/85/81/570628581.db2.gz BMDDUUAIQUAKIK-UHFFFAOYSA-N 0 0 386.467 4.395 40 0 GIABRN Cc1onc(-c2cccnc2)c1C(=O)N[C@@H](Cc1cccs1)c1nccs1 ZINC000012226006 570628495 /nfs/dbraw/zinc/62/84/95/570628495.db2.gz IRWOEKUFDUWBDQ-HNNXBMFYSA-N 0 0 396.497 4.277 40 0 GIABRN Cc1csc([C@H](Cc2ccsc2)NC(=O)Cc2sc(C)nc2C)n1 ZINC000012227947 570628938 /nfs/dbraw/zinc/62/89/38/570628938.db2.gz FSUKILZNQDDXDL-AWEZNQCLSA-N 0 0 377.560 4.229 40 0 GIABRN CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC000012238573 570629605 /nfs/dbraw/zinc/62/96/05/570629605.db2.gz ZRBWUYJJPAJTDI-IBGZPJMESA-N 0 0 390.462 4.050 40 0 GIABRN COCc1ccc(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3Cc2ccccc2)o1 ZINC000012253008 570631157 /nfs/dbraw/zinc/63/11/57/570631157.db2.gz UVJFCYMUQBFPIC-IBGZPJMESA-N 0 0 393.487 4.114 40 0 GIABRN FC(F)(F)c1cc(Oc2ccccc2)nc(NC(=S)NCc2ccco2)n1 ZINC000225913706 570633065 /nfs/dbraw/zinc/63/30/65/570633065.db2.gz BEPOBUQPDPSTIS-UHFFFAOYSA-N 0 0 394.378 4.367 40 0 GIABRN Cc1ccc(N(C)C(=O)Cn2ccc(=O)c3cc(Br)ccc32)cc1C ZINC000225919514 570633379 /nfs/dbraw/zinc/63/33/79/570633379.db2.gz CIPJVBXNIKJAET-UHFFFAOYSA-N 0 0 399.288 4.044 40 0 GIABRN S=C(NCc1ccccc1Cl)Nc1nc(Cl)cc(N2CCCCC2)n1 ZINC000225938735 570634723 /nfs/dbraw/zinc/63/47/23/570634723.db2.gz DKOLMXRLYMBMHT-UHFFFAOYSA-N 0 0 396.347 4.260 40 0 GIABRN Cc1cc(N2CCC(C)CC2)nc(NC(=S)NCc2ccc(Cl)cc2)n1 ZINC000225935379 570634759 /nfs/dbraw/zinc/63/47/59/570634759.db2.gz HDRTWGRQXJMZOS-UHFFFAOYSA-N 0 0 389.956 4.161 40 0 GIABRN Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000044846718 570635216 /nfs/dbraw/zinc/63/52/16/570635216.db2.gz NKATVPLQKZTBGD-UHFFFAOYSA-N 0 0 394.496 4.285 40 0 GIABRN O=C1[C@H]2[C@H](C(=O)N1c1ccncc1)[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000004697586 570636152 /nfs/dbraw/zinc/63/61/52/570636152.db2.gz IBXQASRNSVVFOE-SSGKUCQKSA-N 0 0 380.447 4.325 40 0 GIABRN Cc1cc(N2CCCC2)nc(NC(=S)NCC2(c3ccccc3)CCCC2)n1 ZINC000225972059 570637361 /nfs/dbraw/zinc/63/73/61/570637361.db2.gz GYQWEUUHDWBJGS-UHFFFAOYSA-N 0 0 395.576 4.184 40 0 GIABRN C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1 ZINC000044903739 570641158 /nfs/dbraw/zinc/64/11/58/570641158.db2.gz LGUDGCKOOGKPRZ-OAHLLOKOSA-N 0 0 398.459 4.118 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1F ZINC000032586439 570643388 /nfs/dbraw/zinc/64/33/88/570643388.db2.gz VBUJIAYFOXYXCU-UHFFFAOYSA-N 0 0 383.750 4.307 40 0 GIABRN O=C(NC1CCN(C(=S)Nc2cccc(Cl)c2)CC1)c1ccc(F)cc1 ZINC000004888658 570643579 /nfs/dbraw/zinc/64/35/79/570643579.db2.gz JLQGLPWSMOCETI-UHFFFAOYSA-N 0 0 391.899 4.070 40 0 GIABRN COc1ccc([C@@H](OC(=O)c2cccs2)C(=O)NCCc2ccccc2)cc1 ZINC000004889922 570643652 /nfs/dbraw/zinc/64/36/52/570643652.db2.gz UUSYXKLWQXSUKS-HXUWFJFHSA-N 0 0 395.480 4.014 40 0 GIABRN COc1cccc(-c2noc([C@@H]3CCCN(C(=O)CCC4CCCC4)C3)n2)c1 ZINC000004890066 570643886 /nfs/dbraw/zinc/64/38/86/570643886.db2.gz SQZCIUFJUDNODS-GOSISDBHSA-N 0 0 383.492 4.422 40 0 GIABRN CCCN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@H]1c1cc(OC)ccc1OC ZINC000004909722 570648491 /nfs/dbraw/zinc/64/84/91/570648491.db2.gz PKBJCVRRFSFIIZ-OAQYLSRUSA-N 0 0 395.434 4.188 40 0 GIABRN CCCCNC(=O)Cn1c(C(=O)OC(C)C)cc2c1ccn2-c1ccc(F)cc1 ZINC000004932182 570649741 /nfs/dbraw/zinc/64/97/41/570649741.db2.gz PYGBISQRBFRQCK-UHFFFAOYSA-N 0 0 399.466 4.053 40 0 GIABRN O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccco1 ZINC000004993979 570650514 /nfs/dbraw/zinc/65/05/14/570650514.db2.gz GGVZGOPSFHFZNC-UHFFFAOYSA-N 0 0 395.465 4.389 40 0 GIABRN Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Br)cc2C)CC1=O ZINC000059227417 570652075 /nfs/dbraw/zinc/65/20/75/570652075.db2.gz CAGZMTUBFYKFFT-AWEZNQCLSA-N 0 0 387.277 4.058 40 0 GIABRN Cc1ccc(-c2ocnc2C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 ZINC000005001995 570652125 /nfs/dbraw/zinc/65/21/25/570652125.db2.gz ZBSNWYHZOXCUJB-UHFFFAOYSA-N 0 0 375.428 4.138 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1C ZINC000047156178 570653263 /nfs/dbraw/zinc/65/32/63/570653263.db2.gz OPVPCCQMOFWTSQ-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000047156158 570653296 /nfs/dbraw/zinc/65/32/96/570653296.db2.gz ZLHVDEQKUYLEHV-UHFFFAOYSA-N 0 0 380.469 4.302 40 0 GIABRN CCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC000047156160 570653300 /nfs/dbraw/zinc/65/33/00/570653300.db2.gz SHWOFCKJAFTMBF-UHFFFAOYSA-N 0 0 380.469 4.302 40 0 GIABRN CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cccc(C)c3)cc2s1 ZINC000059294624 570653479 /nfs/dbraw/zinc/65/34/79/570653479.db2.gz UGZIYDZJHSWFGB-UHFFFAOYSA-N 0 0 398.513 4.080 40 0 GIABRN Cc1cccc(NC(=O)CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1C ZINC000004966650 570654099 /nfs/dbraw/zinc/65/40/99/570654099.db2.gz SHYHQPLEWJDOAC-UHFFFAOYSA-N 0 0 384.907 4.490 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cccs1 ZINC000047651005 570654145 /nfs/dbraw/zinc/65/41/45/570654145.db2.gz RRODVNFKGJZCKD-UHFFFAOYSA-N 0 0 392.889 4.455 40 0 GIABRN CCCCOc1ccc(-c2nnn(CC(=O)Nc3cccc(Cl)c3C)n2)cc1 ZINC000004973937 570655466 /nfs/dbraw/zinc/65/54/66/570655466.db2.gz DKORBVWBQOQYEO-UHFFFAOYSA-N 0 0 399.882 4.120 40 0 GIABRN O=C(NCCOc1ccccc1-c1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000059417418 570656164 /nfs/dbraw/zinc/65/61/64/570656164.db2.gz IOEDEEABCDAUBX-UHFFFAOYSA-N 0 0 394.858 4.141 40 0 GIABRN CCCCNC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000005027100 570657687 /nfs/dbraw/zinc/65/76/87/570657687.db2.gz QHCVCNXGHQNAMT-UHFFFAOYSA-N 0 0 375.441 4.232 40 0 GIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2F)cc1 ZINC000005186748 570660374 /nfs/dbraw/zinc/66/03/74/570660374.db2.gz PZJAICDTVUSXJY-RRPUWOKSSA-N 0 0 383.463 4.343 40 0 GIABRN Cc1cc(C)n2c(nnc2SCC(=O)Nc2ccccc2-c2ccccc2)n1 ZINC000005213368 570660818 /nfs/dbraw/zinc/66/08/18/570660818.db2.gz PABNJHGDCPNAIL-UHFFFAOYSA-N 0 0 389.484 4.139 40 0 GIABRN C[C@@H](OC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000005359257 570662453 /nfs/dbraw/zinc/66/24/53/570662453.db2.gz HWBFZRFLNVYRDS-IQJOONFLSA-N 0 0 393.698 4.282 40 0 GIABRN O=C(CSc1n[nH]c(-c2cccnc2)n1)Nc1ccccc1-c1ccccc1 ZINC000005528274 570663723 /nfs/dbraw/zinc/66/37/23/570663723.db2.gz ZEJXQHBGFVPUHC-UHFFFAOYSA-N 0 0 387.468 4.265 40 0 GIABRN COc1ccc(NC(=S)N2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)cc1 ZINC000005988522 570666487 /nfs/dbraw/zinc/66/64/87/570666487.db2.gz SRASRZNSYKICLD-HNNXBMFYSA-N 0 0 380.517 4.456 40 0 GIABRN O=C(Nc1ccccc1)c1cc(S(=O)(=O)NC2CCCCCC2)cs1 ZINC000006681707 570671865 /nfs/dbraw/zinc/67/18/65/570671865.db2.gz PPRDUBDMAWTSBZ-UHFFFAOYSA-N 0 0 378.519 4.002 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@@H]3c2cccs2)cc1 ZINC000006679336 570673473 /nfs/dbraw/zinc/67/34/73/570673473.db2.gz HRSVYKNZVOISHP-SJKOYZFVSA-N 0 0 385.514 4.414 40 0 GIABRN CC(C)(Cc1ccccc1)NC(=O)c1ccc(I)cc1 ZINC000096761855 570674353 /nfs/dbraw/zinc/67/43/53/570674353.db2.gz OUVINMCJFBWIGB-UHFFFAOYSA-N 0 0 379.241 4.042 40 0 GIABRN CC1CCN(S(=O)(=O)c2csc(C(=O)Nc3ccc(Cl)cc3)c2)CC1 ZINC000006680652 570674521 /nfs/dbraw/zinc/67/45/21/570674521.db2.gz NJIQZBWVAXSQGU-UHFFFAOYSA-N 0 0 398.937 4.074 40 0 GIABRN Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)cc1Cl ZINC000054363105 570677661 /nfs/dbraw/zinc/67/76/61/570677661.db2.gz JFDBWCUIGCVGSW-TVQRCGJNSA-N 0 0 380.735 4.268 40 0 GIABRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O ZINC000409102818 570699360 /nfs/dbraw/zinc/69/93/60/570699360.db2.gz UHUQBMRVUAYSBH-VLURKWGBSA-N 0 0 383.425 4.077 40 0 GIABRN Cc1ccc(CNC(=S)Nc2nc(Cl)cc(N3CCCC[C@H]3C)n2)cc1 ZINC000260712697 570700759 /nfs/dbraw/zinc/70/07/59/570700759.db2.gz JUFISUDNRVENEE-CQSZACIVSA-N 0 0 389.956 4.304 40 0 GIABRN COc1ccc(-n2ccc([C@@H]3[C@H](c4ccccn4)N=C4S[C@H](C)CN43)c2)cc1 ZINC000260786517 570705667 /nfs/dbraw/zinc/70/56/67/570705667.db2.gz XXXCVYINRMRJNP-GQWLDOHISA-N 0 0 390.512 4.470 40 0 GIABRN Cc1cc(C(=O)N2CCC3(CC2)OCC[C@H]3CCOCC2CC2)sc1C ZINC000252017250 570727054 /nfs/dbraw/zinc/72/70/54/570727054.db2.gz WGAVOFQGAKMMFD-GOSISDBHSA-N 0 0 377.550 4.193 40 0 GIABRN CCOC(=O)c1c(NC(=O)CSCc2ccccc2)sc2c1CCC2 ZINC000005736291 570734366 /nfs/dbraw/zinc/73/43/66/570734366.db2.gz NLLORCUHZZZQPG-UHFFFAOYSA-N 0 0 375.515 4.285 40 0 GIABRN Cc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccccc2)cc1 ZINC000005735846 570734542 /nfs/dbraw/zinc/73/45/42/570734542.db2.gz ASCSBSBAGQVZJR-UHFFFAOYSA-N 0 0 392.528 4.347 40 0 GIABRN COc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(-c2ccc(C)cc2)n1 ZINC000006148487 570738017 /nfs/dbraw/zinc/73/80/17/570738017.db2.gz ACZWEEOIWFPWRO-UHFFFAOYSA-N 0 0 388.880 4.173 40 0 GIABRN CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000006206356 570739061 /nfs/dbraw/zinc/73/90/61/570739061.db2.gz CTTVOBUDVJLBHU-UHFFFAOYSA-N 0 0 389.260 4.363 40 0 GIABRN CCC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000006204845 570739112 /nfs/dbraw/zinc/73/91/12/570739112.db2.gz GQGMHXAMFJWSIH-KRWDZBQOSA-N 0 0 388.533 4.331 40 0 GIABRN COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)o1 ZINC000006259634 570740301 /nfs/dbraw/zinc/74/03/01/570740301.db2.gz QRVVZPCGJAGPPM-UHFFFAOYSA-N 0 0 375.837 4.129 40 0 GIABRN COc1ccc(N2C[C@H](C(=O)Nc3ccc(OCCC(C)C)cc3)CC2=O)cc1 ZINC000006325892 570742394 /nfs/dbraw/zinc/74/23/94/570742394.db2.gz DTJDLXBMMXODEM-QGZVFWFLSA-N 0 0 396.487 4.112 40 0 GIABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000006462849 570743298 /nfs/dbraw/zinc/74/32/98/570743298.db2.gz ASTHTXLNUGDKPU-NTEUORMPSA-N 0 0 392.908 4.022 40 0 GIABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000006386306 570743978 /nfs/dbraw/zinc/74/39/78/570743978.db2.gz IPJHBXUSXWMTAZ-UHFFFAOYSA-N 0 0 375.881 4.124 40 0 GIABRN COc1cc(NC(=S)NC(=O)c2ccc(C)c(C)c2)ccc1NC(=O)C(C)C ZINC000006546724 570747353 /nfs/dbraw/zinc/74/73/53/570747353.db2.gz WJZSQXSYQMHRCJ-UHFFFAOYSA-N 0 0 399.516 4.033 40 0 GIABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2cccc(OCC(C)C)c2)cc1 ZINC000006709383 570749635 /nfs/dbraw/zinc/74/96/35/570749635.db2.gz ZJMXPTYYVNKAJP-UHFFFAOYSA-N 0 0 399.516 4.197 40 0 GIABRN Cc1ccc(C(=O)Nc2ccc(I)c(C)n2)c(Cl)c1 ZINC000006965032 570754058 /nfs/dbraw/zinc/75/40/58/570754058.db2.gz XITIYFIQXJAKGG-UHFFFAOYSA-N 0 0 386.620 4.209 40 0 GIABRN Cc1cccc(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)c1 ZINC000007388389 570758747 /nfs/dbraw/zinc/75/87/47/570758747.db2.gz NZQWROJHOIRWOO-UHFFFAOYSA-N 0 0 386.776 4.167 40 0 GIABRN CCCc1n[nH]c(=S)n1NCc1ccc(OCc2cccs2)c(OC)c1 ZINC000007601428 570760764 /nfs/dbraw/zinc/76/07/64/570760764.db2.gz GUDQWBSZNKVJQT-UHFFFAOYSA-N 0 0 390.534 4.286 40 0 GIABRN O=C(Oc1ccc(Br)cc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000007929412 570763226 /nfs/dbraw/zinc/76/32/26/570763226.db2.gz CFBYTIQNMVGNNI-NSHDSACASA-N 0 0 394.652 4.061 40 0 GIABRN CCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@@H](C)Oc1ccccc1 ZINC000008090456 570764956 /nfs/dbraw/zinc/76/49/56/570764956.db2.gz ICEFBILIEWMPCN-MRXNPFEDSA-N 0 0 396.516 4.477 40 0 GIABRN Cc1cccc(CS(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 ZINC000013647368 570766607 /nfs/dbraw/zinc/76/66/07/570766607.db2.gz IVKLWHQZEMYQFY-UHFFFAOYSA-N 0 0 399.487 4.333 40 0 GIABRN COc1ccc(C[C@@H]2SC(=O)N(c3cccc(Cl)c3)C2=O)c(OC)c1 ZINC000008115216 570766728 /nfs/dbraw/zinc/76/67/28/570766728.db2.gz XQVHBXRCSAMREQ-INIZCTEOSA-N 0 0 377.849 4.168 40 0 GIABRN COc1ccccc1N1CCN(C(=O)[C@H](C)Sc2ccc(Cl)cc2)CC1 ZINC000008199357 570767817 /nfs/dbraw/zinc/76/78/17/570767817.db2.gz ZQVMLEJRBRSJKV-HNNXBMFYSA-N 0 0 390.936 4.178 40 0 GIABRN CCn1nnnc1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000008340058 570768161 /nfs/dbraw/zinc/76/81/61/570768161.db2.gz CTMWLJIDVKIEBS-UHFFFAOYSA-N 0 0 378.263 4.191 40 0 GIABRN COc1cc(NC(=O)c2ccc(C)cc2)ccc1N1C(=O)c2ccccc2C1=O ZINC000008372178 570768479 /nfs/dbraw/zinc/76/84/79/570768479.db2.gz WGANQEKSXQQKKD-UHFFFAOYSA-N 0 0 386.407 4.057 40 0 GIABRN COc1cc(CNn2c(=S)[nH]nc2-c2ccccc2)cc(Cl)c1OC ZINC000008469888 570770461 /nfs/dbraw/zinc/77/04/61/570770461.db2.gz MGPJSACPXSAPIH-UHFFFAOYSA-N 0 0 376.869 4.022 40 0 GIABRN CC1(C)C[C@@H](NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2O1 ZINC000013674058 570771157 /nfs/dbraw/zinc/77/11/57/570771157.db2.gz GIFOWCITDDPGLR-OAHLLOKOSA-N 0 0 396.306 4.030 40 0 GIABRN Cc1ccc(OCC(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1 ZINC000008903734 570773360 /nfs/dbraw/zinc/77/33/60/570773360.db2.gz IUMKLTYYRMCXAM-UHFFFAOYSA-N 0 0 384.457 4.187 40 0 GIABRN S=C(NCc1nc(-c2cccs2)no1)Nc1cccc(Br)c1 ZINC000065705189 570774139 /nfs/dbraw/zinc/77/41/39/570774139.db2.gz ZPUZSOOVDSJDCH-UHFFFAOYSA-N 0 0 395.307 4.047 40 0 GIABRN O=S(=O)(Cc1ccc(Cl)cc1)NCCSCc1cccc(Cl)c1 ZINC000009694918 570776755 /nfs/dbraw/zinc/77/67/55/570776755.db2.gz YAEKMJWMTKJXLJ-UHFFFAOYSA-N 0 0 390.357 4.346 40 0 GIABRN O=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000009903908 570777096 /nfs/dbraw/zinc/77/70/96/570777096.db2.gz JTDXEHVXZPGFEZ-UHFFFAOYSA-N 0 0 398.509 4.218 40 0 GIABRN COc1ccc([C@H](C)NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)cc1 ZINC000170564496 570787765 /nfs/dbraw/zinc/78/77/65/570787765.db2.gz PIMNKASMFZHCEX-INIZCTEOSA-N 0 0 376.460 4.337 40 0 GIABRN COc1ccc(NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)c(OC)c1 ZINC000170583769 570788329 /nfs/dbraw/zinc/78/83/29/570788329.db2.gz AXGKAPDCIUACQJ-UHFFFAOYSA-N 0 0 378.432 4.107 40 0 GIABRN O=C(NCCCc1ccc(Cl)cc1)c1ccccc1I ZINC000010542396 570791425 /nfs/dbraw/zinc/79/14/25/570791425.db2.gz GWIXXHZDCKEUPT-UHFFFAOYSA-N 0 0 399.659 4.307 40 0 GIABRN COc1cccc(CCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000010543479 570791939 /nfs/dbraw/zinc/79/19/39/570791939.db2.gz YJVNYJIWZGLELY-UHFFFAOYSA-N 0 0 388.316 4.054 40 0 GIABRN COc1ccc(CCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000010543194 570792062 /nfs/dbraw/zinc/79/20/62/570792062.db2.gz SHHXQJILWIUGGF-UHFFFAOYSA-N 0 0 388.316 4.054 40 0 GIABRN O=S(=O)(Cc1c(F)cccc1Cl)NCCCc1ccccc1Cl ZINC000010543246 570792111 /nfs/dbraw/zinc/79/21/11/570792111.db2.gz GVLOMFVUOWTYIQ-UHFFFAOYSA-N 0 0 376.280 4.185 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(OC)cc2)cc1 ZINC000011636979 570796680 /nfs/dbraw/zinc/79/66/80/570796680.db2.gz ULJSGTZGSYUQRA-FQEVSTJZSA-N 0 0 385.460 4.448 40 0 GIABRN Cc1ccc(NC(=S)Nc2nc(CC(=O)Nc3ccccc3)cs2)cc1 ZINC000013471181 570848038 /nfs/dbraw/zinc/84/80/38/570848038.db2.gz LVJXAASFBSYIIX-UHFFFAOYSA-N 0 0 382.514 4.442 40 0 aggregator GIABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 ZINC000013992639 570869066 /nfs/dbraw/zinc/86/90/66/570869066.db2.gz CCRFDYMTJGOKCS-QGZVFWFLSA-N 0 0 380.488 4.464 40 0 GIABRN COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000014006548 570875154 /nfs/dbraw/zinc/87/51/54/570875154.db2.gz DZNZLDYMWIMIAT-INIZCTEOSA-N 0 0 396.487 4.164 40 0 GIABRN O=C(CSc1n[nH]c(COc2ccccc2)n1)Nc1cccc2ccccc21 ZINC000014133597 570877327 /nfs/dbraw/zinc/87/73/27/570877327.db2.gz QNEBTKQAEOQIPU-UHFFFAOYSA-N 0 0 390.468 4.268 40 0 GIABRN Cc1ccc(OCCCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000014397272 570883240 /nfs/dbraw/zinc/88/32/40/570883240.db2.gz APECTPSZWTWBJS-UHFFFAOYSA-N 0 0 386.923 4.465 40 0 GIABRN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000014398283 570883567 /nfs/dbraw/zinc/88/35/67/570883567.db2.gz ARZCBFJQBHLAPU-UHFFFAOYSA-N 0 0 387.288 4.032 40 0 GIABRN Cc1oc(C2CC2)cc1C(=O)NC[C@H]1CC[C@H](c2nn(C)c3ncccc32)CC1 ZINC000257202850 570888295 /nfs/dbraw/zinc/88/82/95/570888295.db2.gz ANROAAAZWGITDO-JCNLHEQBSA-N 0 0 392.503 4.451 40 0 GIABRN COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(Br)c2)c1 ZINC000016409881 570888282 /nfs/dbraw/zinc/88/82/82/570888282.db2.gz BHTFUQINSZUTAL-MDWZMJQESA-N 0 0 387.233 4.012 40 0 GIABRN CCNC(=O)NC1=Nc2ccccc2N=C(CC)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000014608119 570893522 /nfs/dbraw/zinc/89/35/22/570893522.db2.gz GKQCKIKVFNYYIQ-FQEVSTJZSA-N 0 0 394.475 4.333 40 0 GIABRN O=C(CN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O)N1CCCCC1 ZINC000014903959 570900053 /nfs/dbraw/zinc/90/00/53/570900053.db2.gz LPPFBEGNNKRJJV-UKTHLTGXSA-N 0 0 399.299 4.042 40 0 GIABRN O=C1S/C(=C/c2ccc(O)cc2)C(=O)N1Cc1ccccc1Br ZINC000015019136 570901210 /nfs/dbraw/zinc/90/12/10/570901210.db2.gz XLVYJRREASINOO-OQLLNIDSSA-N 0 0 390.258 4.391 40 0 GIABRN COc1ccc(CNC(=O)c2cccc(OCc3ccccc3)c2)cc1OC ZINC000015700706 570902402 /nfs/dbraw/zinc/90/24/02/570902402.db2.gz RSHYDCNJWSQWGO-UHFFFAOYSA-N 0 0 377.440 4.213 40 0 GIABRN COc1ccc(CNC(=O)CSCc2ccccc2Br)cc1 ZINC000020238181 570903665 /nfs/dbraw/zinc/90/36/65/570903665.db2.gz GGUHKPDXDZMQLA-UHFFFAOYSA-N 0 0 380.307 4.007 40 0 GIABRN Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)Nc1ccccc1 ZINC000015935459 570908838 /nfs/dbraw/zinc/90/88/38/570908838.db2.gz GGTYQPXOYYGMGM-IHWFROFDSA-N 0 0 377.488 4.342 40 0 GIABRN C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000042646684 570914604 /nfs/dbraw/zinc/91/46/04/570914604.db2.gz OBFPPXLQWAEZJM-NSHDSACASA-N 0 0 384.785 4.217 40 0 GIABRN O=C(Cn1c2ccccc2c(=O)n(C2CCCCC2)c1=O)c1ccc(Cl)cc1 ZINC000017081191 570918961 /nfs/dbraw/zinc/91/89/61/570918961.db2.gz NHINZHLXWDACHJ-UHFFFAOYSA-N 0 0 396.874 4.205 40 0 GIABRN O=C(NCc1ccc(F)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000189097885 570923631 /nfs/dbraw/zinc/92/36/31/570923631.db2.gz DPSANSQLCZXYRN-UHFFFAOYSA-N 0 0 378.850 4.147 40 0 GIABRN Cc1ccc(C(=O)N2CCC[C@]3(CCCN3c3ncc4ccccc4n3)CC2)o1 ZINC000585100440 570924616 /nfs/dbraw/zinc/92/46/16/570924616.db2.gz KNPCVQUOGZLFMT-QHCPKHFHSA-N 0 0 390.487 4.197 40 0 GIABRN Cc1ncc(CN2CC[C@]23CCCN(C(=O)c2cc(Cl)ccc2F)C3)s1 ZINC000585101768 570927407 /nfs/dbraw/zinc/92/74/07/570927407.db2.gz FDLJBBDBYHBSCX-IBGZPJMESA-N 0 0 393.915 4.125 40 0 GIABRN O=C(Nc1ccc(Br)cc1F)C1(c2ccccc2)CCOCC1 ZINC000016985288 570936682 /nfs/dbraw/zinc/93/66/82/570936682.db2.gz KEJMNLJGEUSRHT-UHFFFAOYSA-N 0 0 378.241 4.275 40 0 GIABRN CCCC[C@H](CC)C(=O)O[C@H](C)CNC(=O)[C@@H](C)OC(=O)[C@@H](CC)CCCC ZINC000004428351 570974614 /nfs/dbraw/zinc/97/46/14/570974614.db2.gz BUFBUWAALXANIF-YRXWBPOGSA-N 0 0 399.572 4.399 40 0 GIABRN O=C(Nc1c(F)cccc1F)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000242794601 570985878 /nfs/dbraw/zinc/98/58/78/570985878.db2.gz FBRQXGRKFCQWKH-UHFFFAOYSA-N 0 0 378.806 4.109 40 0 GIABRN COc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000243713552 570988142 /nfs/dbraw/zinc/98/81/42/570988142.db2.gz PNPOJVHINYBPOF-UHFFFAOYSA-N 0 0 386.879 4.148 40 0 GIABRN O=C(Cc1ccccc1)N1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000244373003 570989648 /nfs/dbraw/zinc/98/96/48/570989648.db2.gz XZYKXPVKACGXSQ-UHFFFAOYSA-N 0 0 391.298 4.413 40 0 GIABRN CN(CC(=O)Nc1ccc2c(c1)ncn2C1CCCCC1)Cc1ccccn1 ZINC000019717594 571039912 /nfs/dbraw/zinc/03/99/12/571039912.db2.gz CUFYQXHAJXSMAJ-UHFFFAOYSA-N 0 0 377.492 4.007 40 0 GIABRN CNc1cc(C(=O)Nc2nc(-c3cc(C)c(OC)cc3C)c(C)s2)ccn1 ZINC000019717633 571040618 /nfs/dbraw/zinc/04/06/18/571040618.db2.gz GFCBLAALVJRQLQ-UHFFFAOYSA-N 0 0 382.489 4.433 40 0 GIABRN Cc1ccc(N2C[C@H](C(=O)OCc3c(Cl)cccc3Cl)CC2=O)cc1 ZINC000016292898 571049363 /nfs/dbraw/zinc/04/93/63/571049363.db2.gz KOXBFGPFSBVSHF-CYBMUJFWSA-N 0 0 378.255 4.398 40 0 GIABRN CC(=O)n1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)c(-c2ccccc2)n1 ZINC000003068745 817416755 /nfs/dbraw/zinc/41/67/55/817416755.db2.gz WCWDTZKFVMCZOT-WQRHYEAKSA-N 0 0 391.814 4.208 40 0 GIABRN Cc1cc(OCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)c2c(c1)oc(=O)c1c2CCCC1 ZINC000004986095 817544882 /nfs/dbraw/zinc/54/48/82/817544882.db2.gz OYGUJLIEXIRPHU-GJYPPUQNSA-N 0 0 397.515 4.300 40 0 GIABRN COc1ccccc1OCc1ccc(C(=O)Oc2cccc(NC(C)=O)c2)cc1 ZINC000006158839 817664147 /nfs/dbraw/zinc/66/41/47/817664147.db2.gz CIMADQRIFLQSGU-UHFFFAOYSA-N 0 0 391.423 4.452 40 0 GIABRN CCCC(=O)c1cn(CC(=O)Nc2cc(OC)ccc2OC)c2ccccc12 ZINC000006203105 817666616 /nfs/dbraw/zinc/66/66/16/817666616.db2.gz FYIGRQQLRJJPJF-UHFFFAOYSA-N 0 0 380.444 4.280 40 0 GIABRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)COc2cccc(C)c2)c1 ZINC000006386506 817686920 /nfs/dbraw/zinc/68/69/20/817686920.db2.gz AMEVKIHVMMGPNH-UHFFFAOYSA-N 0 0 399.516 4.016 40 0 GIABRN CCCCCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000006597298 817707467 /nfs/dbraw/zinc/70/74/67/817707467.db2.gz UFBLZUGLOWGNCD-JOCHJYFZSA-N 0 0 382.529 4.381 40 0 GIABRN CC(C)COC(=O)NCCC(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000006616143 817711009 /nfs/dbraw/zinc/71/10/09/817711009.db2.gz GANAIJAXSWQLEP-UHFFFAOYSA-N 0 0 389.492 4.233 40 0 GIABRN CCCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1cccc(C)c1 ZINC000006629010 817712032 /nfs/dbraw/zinc/71/20/32/817712032.db2.gz WNZJPVNEDKBUAG-UHFFFAOYSA-N 0 0 380.517 4.251 40 0 GIABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3c(C)cc(C)cc3C)C2=O)o1 ZINC000006825427 817718028 /nfs/dbraw/zinc/71/80/28/817718028.db2.gz UNTUSTKAUHJZHP-RQZCQDPDSA-N 0 0 385.441 4.228 40 0 GIABRN CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1OC ZINC000006963996 817729724 /nfs/dbraw/zinc/72/97/24/817729724.db2.gz KVWQANAXLXETGX-YBFXNURJSA-N 0 0 394.452 4.202 40 0 GIABRN O=C1S/C(=C/c2ccncc2)C(=O)N1Cc1cccc(Br)c1 ZINC000006969898 817731429 /nfs/dbraw/zinc/73/14/29/817731429.db2.gz LAGMXKGRXGUQOM-NTEUORMPSA-N 0 0 375.247 4.081 40 0 GIABRN O=C(Nc1cccnc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000007094501 817758085 /nfs/dbraw/zinc/75/80/85/817758085.db2.gz HXYFDBRJLACWKJ-JOCHJYFZSA-N 0 0 389.480 4.108 40 0 GIABRN N#C/C(=C\c1cn(CCCOc2ccccc2)c2ccccc12)C(=O)NC1CC1 ZINC000007095812 817758181 /nfs/dbraw/zinc/75/81/81/817758181.db2.gz PTCVLKWKIPAKSV-OBGWFSINSA-N 0 0 385.467 4.296 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1C(C)C ZINC000007361164 817823603 /nfs/dbraw/zinc/82/36/03/817823603.db2.gz KUYHJQJFNSULOU-UHFFFAOYSA-N 0 0 384.295 4.382 40 0 GIABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000007505026 817856977 /nfs/dbraw/zinc/85/69/77/817856977.db2.gz VSJKLHUSVQRWPT-KRWDZBQOSA-N 0 0 384.495 4.239 40 0 GIABRN CSc1nc2sc(C(=O)Nc3ccc(F)cc3)cc2c(N2CCCC2)n1 ZINC000007604255 817877840 /nfs/dbraw/zinc/87/78/40/817877840.db2.gz QUKJTLJHIFQDGZ-UHFFFAOYSA-N 0 0 388.493 4.405 40 0 GIABRN Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)Nc2ccccc2)o1 ZINC000007605312 817878507 /nfs/dbraw/zinc/87/85/07/817878507.db2.gz UFVYJQUFBHNVID-UHFFFAOYSA-N 0 0 389.864 4.341 40 0 GIABRN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)c1ccccc1 ZINC000007881995 817949520 /nfs/dbraw/zinc/94/95/20/817949520.db2.gz VCNIUNDWEIFCFB-GXTWGEPZSA-N 0 0 377.271 4.224 40 0 GIABRN COC(=O)c1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2c(C)cccc2C)C(=S)N1 ZINC000008023802 817984650 /nfs/dbraw/zinc/98/46/50/817984650.db2.gz MUKDOTSDAGMVIA-KKSFZXQISA-N 0 0 382.485 4.025 40 0 GIABRN CCc1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 ZINC000008088994 817997686 /nfs/dbraw/zinc/99/76/86/817997686.db2.gz JVIRLNNDMSFGIU-UHFFFAOYSA-N 0 0 394.496 4.326 40 0 GIABRN COc1ccc2oc(C(=O)Nc3ccc(I)cc3)cc2c1 ZINC000008166222 818009839 /nfs/dbraw/zinc/00/98/39/818009839.db2.gz MSPPARXGASDOID-UHFFFAOYSA-N 0 0 393.180 4.298 40 0 GIABRN NC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CCCC2)CC1 ZINC000019700382 818600669 /nfs/dbraw/zinc/60/06/69/818600669.db2.gz ZVSFYTXDTCVNSG-UHFFFAOYSA-N 0 0 390.527 4.180 40 0 GIABRN CCC(=O)N1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(C(F)(F)F)cc1 ZINC000019713758 818603370 /nfs/dbraw/zinc/60/33/70/818603370.db2.gz ZBORCHCRRAYLEV-YLJYHZDGSA-N 0 0 396.453 4.378 40 0 GIABRN O=C(C1CCCCC1)N1CCC[C@@]2(C1)CC=CCN(Cc1ccc(F)cc1)C2=O ZINC000019742589 818604055 /nfs/dbraw/zinc/60/40/55/818604055.db2.gz PDRUEGSJUFRBSZ-XMMPIXPASA-N 0 0 398.522 4.303 40 0 GIABRN O=C(NCCC1=CCCCC1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000057968479 823351267 /nfs/dbraw/zinc/35/12/67/823351267.db2.gz KGSGWKRDDCUGGV-UHFFFAOYSA-N 0 0 378.472 4.211 40 0 GIABRN COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccccc2)cc1 ZINC000028527929 820343691 /nfs/dbraw/zinc/34/36/91/820343691.db2.gz XQMVYRYAPKVBHD-UHFFFAOYSA-N 0 0 391.475 4.252 40 0 GIABRN Cc1ccc(NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(C)c1 ZINC000033402108 821055612 /nfs/dbraw/zinc/05/56/12/821055612.db2.gz MFALXYFTWXCPDY-FQEVSTJZSA-N 0 0 398.503 4.352 40 0 GIABRN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(CC)cc2)CC1 ZINC000033730609 821059648 /nfs/dbraw/zinc/05/96/48/821059648.db2.gz ULEFLLHYANTJDA-UHFFFAOYSA-N 0 0 399.922 4.213 40 0 GIABRN CCn1c(Sc2ccc([N+](=O)[O-])cc2C=O)nnc1-c1ccc(Cl)cc1 ZINC000033758408 821059806 /nfs/dbraw/zinc/05/98/06/821059806.db2.gz KBXLCCDQNGJWOK-UHFFFAOYSA-N 0 0 388.836 4.490 40 0 GIABRN CCOc1c(Br)cc(/C=C/C(=O)Nc2ccc(O)cc2)cc1OC ZINC000062714739 823645062 /nfs/dbraw/zinc/64/50/62/823645062.db2.gz HPPCOYKGEXOICC-RUDMXATFSA-N 0 0 392.249 4.214 40 0 GIABRN FC(F)(F)c1nc2cc(Br)cc(I)c2o1 ZINC000169805327 823917233 /nfs/dbraw/zinc/91/72/33/823917233.db2.gz CRCNTBSMGYGZAL-UHFFFAOYSA-N 0 0 391.912 4.214 40 0 GIABRN C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)C[C@H]3C=CCC3)cc2N1 ZINC000019574688 210268091 /nfs/dbraw/zinc/26/80/91/210268091.db2.gz AUDNGWRQGZVVMW-OCVGTWLNSA-N 0 0 382.430 4.210 40 0 GIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)CCCn2nc(C)cc2C)cc1 ZINC000019574207 210267667 /nfs/dbraw/zinc/26/76/67/210267667.db2.gz CGECFXGJBPSPQG-HTDNTCHWSA-N 0 0 395.547 4.377 40 0 GIABRN COc1ccc2sc(NC(=O)c3ccc(Cn4nc(C)cc4C)o3)nc2c1 ZINC000019574484 210267549 /nfs/dbraw/zinc/26/75/49/210267549.db2.gz AFJCQCUFEOUXMB-UHFFFAOYSA-N 0 0 382.445 4.012 40 0 GIABRN COc1cccc(CN2CCCC[C@H]2c2[nH]ncc2-c2onc(C)c2C)c1OC ZINC000019557991 210264384 /nfs/dbraw/zinc/26/43/84/210264384.db2.gz OMFLYZHFUFNUTJ-SFHVURJKSA-N 0 0 396.491 4.426 40 0 GIABRN COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)CCc2cccnc2)cc1OC ZINC000019561367 210263724 /nfs/dbraw/zinc/26/37/24/210263724.db2.gz NXIMRGNMTGBKIG-WJNSRDFLSA-N 0 0 394.515 4.120 40 0 GIABRN CC[C@H](C(=O)Nc1ccccc1C(C)C)N(c1ccccc1F)S(C)(=O)=O ZINC000220595220 222602113 /nfs/dbraw/zinc/60/21/13/222602113.db2.gz QWXJPQAJXVSFOD-GOSISDBHSA-N 0 0 392.496 4.132 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)o1 ZINC000019564010 210262798 /nfs/dbraw/zinc/26/27/98/210262798.db2.gz PNXCGCLYYXOGIC-GFCCVEGCSA-N 0 0 390.390 4.093 40 0 GIABRN Cc1c(-c2cc(C(=O)Nc3cccc(-c4cccc(F)c4)c3)no2)cnn1C ZINC000019554159 210262239 /nfs/dbraw/zinc/26/22/39/210262239.db2.gz MLURKRHMERQFNZ-UHFFFAOYSA-N 0 0 376.391 4.442 40 0 GIABRN COc1cccc([C@H](NC(=O)[C@H](C)Cn2nc(C)c(C)c2C)c2ccccc2)c1 ZINC000019556910 210261392 /nfs/dbraw/zinc/26/13/92/210261392.db2.gz RFJKVONVOHQSOL-WAIKUNEKSA-N 0 0 391.515 4.359 40 0 GIABRN COc1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2Cl)cc1 ZINC000019553189 210261550 /nfs/dbraw/zinc/26/15/50/210261550.db2.gz PSQJZXDEIXVHRF-FQEVSTJZSA-N 0 0 395.890 4.401 40 0 GIABRN CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)C(C)C)C1 ZINC000019528352 210260050 /nfs/dbraw/zinc/26/00/50/210260050.db2.gz NOHWZYWGYNUFCE-HSZRJFAPSA-N 0 0 398.572 4.359 40 0 GIABRN CCn1ncc(-c2cc(C(=O)Nc3ccc4c(c3)nc(C(C)C)n4C)no2)c1C ZINC000019524057 210255954 /nfs/dbraw/zinc/25/59/54/210255954.db2.gz LYLQREKJSQYIOW-UHFFFAOYSA-N 0 0 392.463 4.129 40 0 GIABRN CCCn1cnc2sc(C(=O)Nc3cccc(OC(C)C)c3)c(C)c2c1=O ZINC000019526131 210255821 /nfs/dbraw/zinc/25/58/21/210255821.db2.gz CSOHNVVTOMSNNX-UHFFFAOYSA-N 0 0 385.489 4.216 40 0 GIABRN CCc1[nH]c(=O)c(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1C ZINC000019521487 210255571 /nfs/dbraw/zinc/25/55/71/210255571.db2.gz XRONBMGFJAJBTB-UHFFFAOYSA-N 0 0 387.892 4.199 40 0 GIABRN CCCC(=O)N1CC[C@](Cc2cccc(-c3cccs3)c2)(C(=O)NCC)C1 ZINC000019501043 210254005 /nfs/dbraw/zinc/25/40/05/210254005.db2.gz VILYDEKAYZSBSO-JOCHJYFZSA-N 0 0 384.545 4.113 40 0 GIABRN CCC(=O)N1CC[C@](Cc2ccccc2-c2cccs2)(C(=O)NC(C)C)C1 ZINC000019498481 210252662 /nfs/dbraw/zinc/25/26/62/210252662.db2.gz PTHIFJFAHVNLIC-JOCHJYFZSA-N 0 0 384.545 4.111 40 0 GIABRN CC[C@@H](Oc1ccccc1F)C(=O)N1CCC(c2cc3ncccc3[nH]2)CC1 ZINC000019499364 210252747 /nfs/dbraw/zinc/25/27/47/210252747.db2.gz PEGJRLAPRMSYPK-HXUWFJFHSA-N 0 0 381.451 4.266 40 0 GIABRN Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(I)cc2)c1 ZINC000008495954 230865113 /nfs/dbraw/zinc/86/51/13/230865113.db2.gz OXQCZUJUGMCPIE-ZDUSSCGKSA-N 0 0 395.240 4.314 40 0 GIABRN CC(C)c1cc(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3Cc2ccccc2)on1 ZINC000019453015 210251074 /nfs/dbraw/zinc/25/10/74/210251074.db2.gz CIJBIWYGTUJJLQ-IBGZPJMESA-N 0 0 392.503 4.486 40 0 GIABRN O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036171653 230924599 /nfs/dbraw/zinc/92/45/99/230924599.db2.gz GNJYNJQXBDAEID-UHFFFAOYSA-N 0 0 376.378 4.196 40 0 GIABRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@@H](C)Cn2cnc3ccccc32)c1 ZINC000019457708 210250526 /nfs/dbraw/zinc/25/05/26/210250526.db2.gz FUTNVMGBVUQSFZ-JXFKEZNVSA-N 0 0 393.487 4.053 40 0 GIABRN CC(C)CC(=O)N1CC[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 ZINC000019446182 210249300 /nfs/dbraw/zinc/24/93/00/210249300.db2.gz UNMBIQYVSMTSHR-HSZRJFAPSA-N 0 0 398.572 4.311 40 0 GIABRN Cc1ccc(Cl)cc1Nc1cc(-c2ccncc2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329062940 231047789 /nfs/dbraw/zinc/04/77/89/231047789.db2.gz XAYPEXOACXFIKQ-IBGZPJMESA-N 0 0 397.910 4.095 40 0 GIABRN CC(=O)N1CCC[C@](Cc2ccccc2-c2cccs2)(C(=O)NC(C)C)C1 ZINC000019448659 210247895 /nfs/dbraw/zinc/24/78/95/210247895.db2.gz PSBLRTMWWQEVEB-JOCHJYFZSA-N 0 0 384.545 4.111 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)c(Cl)c1Cl ZINC000408619082 231081974 /nfs/dbraw/zinc/08/19/74/231081974.db2.gz LULYYBPTJDPSCM-LBPRGKRZSA-N 0 0 388.316 4.302 40 0 GIABRN COc1cc(NC(=O)c2cccnc2Cl)ccc1NC(=O)c1cccs1 ZINC000408619405 231082074 /nfs/dbraw/zinc/08/20/74/231082074.db2.gz BVCZNHAWKWYXJY-UHFFFAOYSA-N 0 0 387.848 4.310 40 0 GIABRN Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)c(C)c1 ZINC000408560038 231060972 /nfs/dbraw/zinc/06/09/72/231060972.db2.gz BQISWQDUMXUMAK-UHFFFAOYSA-N 0 0 387.505 4.040 40 0 GIABRN CCn1c2c(s/c1=N\C(=O)c1cc(OC)cc(OC)c1)CCc1ccccc1-2 ZINC000408561584 231062429 /nfs/dbraw/zinc/06/24/29/231062429.db2.gz JZIYTDWOBBXAKD-FCQUAONHSA-N 0 0 394.496 4.093 40 0 GIABRN Cc1nnc2sc(-c3ccccc3NC(=O)/C=C/c3ccc(Cl)cc3)nn12 ZINC000408571410 231064969 /nfs/dbraw/zinc/06/49/69/231064969.db2.gz ASXJVHHPVVYQQQ-DHZHZOJOSA-N 0 0 395.875 4.467 40 0 GIABRN Cc1ccc(OCCn2cc(C(=O)C(=O)N3CCCCC3)c3ccccc32)cc1 ZINC000408567625 231065144 /nfs/dbraw/zinc/06/51/44/231065144.db2.gz HANGXPNJWCMTEQ-UHFFFAOYSA-N 0 0 390.483 4.224 40 0 GIABRN O=c1nc(CSc2nnc(-c3ccccn3)o2)[nH]c2sc3c(c21)CCCC3 ZINC000408581982 231066435 /nfs/dbraw/zinc/06/64/35/231066435.db2.gz KNEWPWCKJJGTHC-UHFFFAOYSA-N 0 0 397.485 4.013 40 0 GIABRN Cc1ccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000408704397 231099000 /nfs/dbraw/zinc/09/90/00/231099000.db2.gz MXLNWZFDTICGMU-UHFFFAOYSA-N 0 0 380.469 4.076 40 0 GIABRN Cc1ccc(N2C[C@H](C(=O)NCC(c3ccccc3)c3ccccc3)CC2=O)cc1 ZINC000408706681 231099946 /nfs/dbraw/zinc/09/99/46/231099946.db2.gz CDDMEEAFWZDYMO-JOCHJYFZSA-N 0 0 398.506 4.296 40 0 GIABRN Cc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2N2CCC(C)CC2)CC1=O ZINC000408707331 231101154 /nfs/dbraw/zinc/10/11/54/231101154.db2.gz JDEBAAQQKMISJQ-IBGZPJMESA-N 0 0 391.515 4.223 40 0 GIABRN COc1ccc(-c2csc(NC(=O)C(Cl)(Cl)Cl)n2)cc1OC ZINC000408622005 231084488 /nfs/dbraw/zinc/08/44/88/231084488.db2.gz OYLRWJWIDSFEEA-UHFFFAOYSA-N 0 0 381.668 4.136 40 0 GIABRN CCOc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000408628164 231087810 /nfs/dbraw/zinc/08/78/10/231087810.db2.gz VDKLJKHMRLBNAR-UHFFFAOYSA-N 0 0 397.496 4.489 40 0 GIABRN Cc1ccccc1C(=O)OCC(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000408644063 231090769 /nfs/dbraw/zinc/09/07/69/231090769.db2.gz DLFZGXMNPYPTSF-UHFFFAOYSA-N 0 0 376.250 4.170 40 0 GIABRN Cc1ccc(/C=c2/sc3nc4c(cc(C)c(C)c4Br)n3c2=O)cc1 ZINC000408976369 231139958 /nfs/dbraw/zinc/13/99/58/231139958.db2.gz FLLYPDOWXHPDEK-OQLLNIDSSA-N 0 0 399.313 4.145 40 0 GIABRN COCCNC(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000408981174 231141116 /nfs/dbraw/zinc/14/11/16/231141116.db2.gz ZZNMMHNWZJORMG-UHFFFAOYSA-N 0 0 395.509 4.463 40 0 GIABRN C[C@H]1CCCC[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000408998567 231144432 /nfs/dbraw/zinc/14/44/32/231144432.db2.gz MFLSJRSBHMUMTP-BWAGFHJFSA-N 0 0 394.515 4.219 40 0 GIABRN C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)Oc1ccccc1 ZINC000408998328 231144742 /nfs/dbraw/zinc/14/47/42/231144742.db2.gz LKHNSBAMVDKFPA-QMMLZNLJSA-N 0 0 380.488 4.081 40 0 GIABRN Fc1cccc(CN(Cc2cncn2Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000019372916 210245617 /nfs/dbraw/zinc/24/56/17/210245617.db2.gz BTHZDYBOZDINKK-HSZRJFAPSA-N 0 0 379.479 4.252 40 0 GIABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2CC(C)C)cc1C ZINC000409107259 231162709 /nfs/dbraw/zinc/16/27/09/231162709.db2.gz RLAKLVNXTUCRQW-UHFFFAOYSA-N 0 0 395.532 4.344 40 0 GIABRN Cc1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)cc1C ZINC000409184169 231176355 /nfs/dbraw/zinc/17/63/55/231176355.db2.gz XQBOYWQTHSMNLB-UHFFFAOYSA-N 0 0 377.396 4.171 40 0 GIABRN Cc1cccc(COc2c(Cl)cc(/C=C3/NC(=O)N(C)C3=O)cc2Cl)c1 ZINC000409189533 231176894 /nfs/dbraw/zinc/17/68/94/231176894.db2.gz HODFUAAVFLAOAT-CXUHLZMHSA-N 0 0 391.254 4.403 40 0 GIABRN COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(Br)cc1F ZINC000409227841 231183303 /nfs/dbraw/zinc/18/33/03/231183303.db2.gz RTYSERQTJVJJGF-VQHVLOKHSA-N 0 0 380.213 4.257 40 0 GIABRN Cc1cccc(NC(=O)COc2ccc(C(=S)N3CCCCC3)cc2)c1C ZINC000409229573 231183552 /nfs/dbraw/zinc/18/35/52/231183552.db2.gz RHHSBVHPJFDSSP-UHFFFAOYSA-N 0 0 382.529 4.482 40 0 GIABRN O=C(CN1C(=O)S/C(=C/c2ccco2)C1=O)Nc1cccc2ccccc21 ZINC000409302509 231189124 /nfs/dbraw/zinc/18/91/24/231189124.db2.gz JAMFYKNPZYFWNZ-GZTJUZNOSA-N 0 0 378.409 4.108 40 0 GIABRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccccc3)C2=O)c(C)c1 ZINC000409373972 231196408 /nfs/dbraw/zinc/19/64/08/231196408.db2.gz JBBBCYRPVGHWEA-GZTJUZNOSA-N 0 0 380.469 4.287 40 0 GIABRN CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(C)ccc1OC ZINC000409004095 529419689 /nfs/dbraw/zinc/41/96/89/529419689.db2.gz WNMSGDSQHCIBLT-UZLBHIALSA-N 0 0 384.476 4.283 40 0 GIABRN COc1ccc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1OC ZINC000409380442 231198675 /nfs/dbraw/zinc/19/86/75/231198675.db2.gz DMSNULVIQOIPCN-CSKARUKUSA-N 0 0 381.350 4.383 40 0 GIABRN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1O ZINC000409411547 231202584 /nfs/dbraw/zinc/20/25/84/231202584.db2.gz IXYKSFFKSAROCQ-UHFFFAOYSA-N 0 0 396.516 4.327 40 0 GIABRN CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccccc1O ZINC000409412403 231202908 /nfs/dbraw/zinc/20/29/08/231202908.db2.gz WDCVZIUOLTVCRZ-UHFFFAOYSA-N 0 0 388.880 4.055 40 0 GIABRN NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)CC2CCCC2)C1 ZINC000019344580 210242314 /nfs/dbraw/zinc/24/23/14/210242314.db2.gz NWIFDSKJHJVOMR-QHCPKHFHSA-N 0 0 396.556 4.242 40 0 GIABRN O=C(Nc1ccc(-c2ccc(F)cc2)cc1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000019336823 210241784 /nfs/dbraw/zinc/24/17/84/210241784.db2.gz FPQKICBAVXRXRZ-UHFFFAOYSA-N 0 0 388.398 4.398 40 0 GIABRN NC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)C2CCCC2)C1 ZINC000019331540 210241557 /nfs/dbraw/zinc/24/15/57/210241557.db2.gz XEEIKQVCMSPPRQ-QHCPKHFHSA-N 0 0 396.556 4.242 40 0 GIABRN O=C(NCCn1nc(-c2cccnc2)cc1-c1cccs1)C1CCCCC1 ZINC000019340219 210241036 /nfs/dbraw/zinc/24/10/36/210241036.db2.gz PRAXWXRABFIHKL-UHFFFAOYSA-N 0 0 380.517 4.370 40 0 GIABRN COc1ccc([C@H]2CCCN2C(=O)[C@H](C)n2c(C)nc3ccccc32)c(OC)c1 ZINC000019286644 210238301 /nfs/dbraw/zinc/23/83/01/210238301.db2.gz PMJUEGVCEFEMJS-MGPUTAFESA-N 0 0 393.487 4.287 40 0 GIABRN Cn1nc(-c2ccc(F)cc2)cc1C(=O)N(Cc1ccccn1)C1CCCC1 ZINC000019288890 210238328 /nfs/dbraw/zinc/23/83/28/210238328.db2.gz BGWLJNDTELMIPM-UHFFFAOYSA-N 0 0 378.451 4.206 40 0 GIABRN COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)n2c(C)nc3ccccc32)c(OC)c1 ZINC000019286643 210238057 /nfs/dbraw/zinc/23/80/57/210238057.db2.gz PMJUEGVCEFEMJS-YWZLYKJASA-N 0 0 393.487 4.287 40 0 GIABRN CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C ZINC000004329868 529594982 /nfs/dbraw/zinc/59/49/82/529594982.db2.gz FSKOAOQMUMHRDS-UHFFFAOYSA-N 0 0 386.908 4.429 40 0 GIABRN CCc1ccccc1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC[C@@H](C)C[C@H]2C1=O ZINC000408668066 529600419 /nfs/dbraw/zinc/60/04/19/529600419.db2.gz CIVSYQVFYIXPIB-SZVBFZGTSA-N 0 0 390.483 4.427 40 0 GIABRN CCc1ccccc1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC(C)=CC[C@@H]2C1=O ZINC000408683642 529600508 /nfs/dbraw/zinc/60/05/08/529600508.db2.gz NCWPXIRSSJBXCK-PKOBYXMFSA-N 0 0 388.467 4.347 40 0 GIABRN CCc1ccccc1NC(=O)c1ccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)cc1 ZINC000408666908 529600673 /nfs/dbraw/zinc/60/06/73/529600673.db2.gz AGRHIGKAISJCAN-QFIXIFRTSA-N 0 0 388.467 4.203 40 0 GIABRN COc1cc2c(cc1CN[C@@H](Cc1cccs1)c1nc(C)cs1)OCO2 ZINC000019240076 210236420 /nfs/dbraw/zinc/23/64/20/210236420.db2.gz CITQUIULVIXKOI-HNNXBMFYSA-N 0 0 388.514 4.324 40 0 GIABRN CCc1ccc(C2=NN(C(=O)c3ccc(C)cc3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000409100454 529618748 /nfs/dbraw/zinc/61/87/48/529618748.db2.gz NNBMTYSTZNLILG-IBGZPJMESA-N 0 0 376.378 4.059 40 0 GIABRN Cc1noc(C)c1C(=O)N1CCCC[C@@H]1c1nc(C)ncc1-c1ccncc1C ZINC000019239734 210235495 /nfs/dbraw/zinc/23/54/95/210235495.db2.gz ZHPAICIFRNQWST-LJQANCHMSA-N 0 0 391.475 4.128 40 0 GIABRN Cc1noc(-c2cnc(C)nc2[C@@H]2CCCN2C(=O)Cc2cccc(C)c2)c1C ZINC000019234703 210233258 /nfs/dbraw/zinc/23/32/58/210233258.db2.gz QHVXJDBPHFLHQU-FQEVSTJZSA-N 0 0 390.487 4.271 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nnc(-c3cccs3)o2)cc1 ZINC000019211509 210231398 /nfs/dbraw/zinc/23/13/98/210231398.db2.gz XHHCSAYOPIHQOM-HNNXBMFYSA-N 0 0 389.502 4.022 40 0 GIABRN COc1cc(CN[C@H](c2ccc(C)cc2)c2cccnc2)cc2c1OCCO2 ZINC000019136781 210229307 /nfs/dbraw/zinc/22/93/07/210229307.db2.gz GAYKTLAZRUCFPO-JOCHJYFZSA-N 0 0 376.456 4.049 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@H]2CCCCN2C(=O)Cc2ccc(C)cc2)on1 ZINC000019209676 210229082 /nfs/dbraw/zinc/22/90/82/210229082.db2.gz AOGQXVWXDSBOCP-HXUWFJFHSA-N 0 0 390.487 4.353 40 0 GIABRN Cc1noc(-c2cnn(C)c2[C@H]2CCCCN2C(=O)Cc2ccc(C)cc2)c1C ZINC000019209709 210229050 /nfs/dbraw/zinc/22/90/50/210229050.db2.gz NSNAJVBLSMBULY-HXUWFJFHSA-N 0 0 392.503 4.297 40 0 GIABRN Cc1cc2nc([C@@H]3CCCN3C(=O)CCn3ncc4ccccc43)[nH]c2cc1C ZINC000019125338 210228147 /nfs/dbraw/zinc/22/81/47/210228147.db2.gz BRYLULOMADMRQD-NRFANRHFSA-N 0 0 387.487 4.283 40 0 GIABRN COc1cc(CN2CCCC[C@@H]2c2[nH]ncc2-c2cc(C)no2)cc(OC)c1 ZINC000019120890 210227602 /nfs/dbraw/zinc/22/76/02/210227602.db2.gz LJVHYQDSDOYAAZ-LJQANCHMSA-N 0 0 382.464 4.118 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)on1 ZINC000019122124 210226904 /nfs/dbraw/zinc/22/69/04/210226904.db2.gz CRUVCEZHHHIGGZ-INIZCTEOSA-N 0 0 396.878 4.422 40 0 GIABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)C3CCCCC3)C1)N2 ZINC000019127572 210226864 /nfs/dbraw/zinc/22/68/64/210226864.db2.gz UDBMEGBISFJZLT-YESZJQIVSA-N 0 0 380.483 4.001 40 0 GIABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)CC3CCCCC3)C1)N2 ZINC000019127661 210226591 /nfs/dbraw/zinc/22/65/91/210226591.db2.gz DWLMFEBUHITNHV-FGTMMUONSA-N 0 0 394.510 4.391 40 0 GIABRN Cc1cc(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3Cc2ccccc2Cl)on1 ZINC000019120016 210226015 /nfs/dbraw/zinc/22/60/15/210226015.db2.gz KANKZJWUGWDPEO-KRWDZBQOSA-N 0 0 398.894 4.325 40 0 GIABRN Cc1cc(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3Cc2cccc(Cl)c2)on1 ZINC000019120010 210225915 /nfs/dbraw/zinc/22/59/15/210225915.db2.gz HDMMCBKSISQGOU-KRWDZBQOSA-N 0 0 398.894 4.325 40 0 GIABRN CC(C)(C)[C@H]1CCc2nc(NC(=O)c3ccccc3Cn3cncn3)sc2C1 ZINC000019082514 210225064 /nfs/dbraw/zinc/22/50/64/210225064.db2.gz LURPFMWFLZQXHE-HNNXBMFYSA-N 0 0 395.532 4.186 40 0 GIABRN CC(=O)N(C)C1CCC2(CC1)CN(C(=O)CC(C)(C)C)Cc1ccccc1O2 ZINC000019016254 210222112 /nfs/dbraw/zinc/22/21/12/210222112.db2.gz FSVBQVUZQSUKLY-UHFFFAOYSA-N 0 0 386.536 4.004 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C(=O)C[C@@H]1C=CCC1 ZINC000019017481 210221029 /nfs/dbraw/zinc/22/10/29/210221029.db2.gz VXCLCHTYQUNVEK-QBTGUUFSSA-N 0 0 398.522 4.268 40 0 GIABRN C[C@H]1CC[C@H]2C(=O)N(c3cc(Cl)ccc3OC(=O)c3ccco3)C(=O)[C@@H]2C1 ZINC000018241761 210218627 /nfs/dbraw/zinc/21/86/27/210218627.db2.gz BHABKFZVSPMSAA-IACUBPJLSA-N 0 0 387.819 4.078 40 0 GIABRN Cc1ccc([C@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000017992690 210211178 /nfs/dbraw/zinc/21/11/78/210211178.db2.gz AWFRYIXNFIETFH-VABKMULXSA-N 0 0 398.462 4.355 40 0 GIABRN C[C@@H](NC(=O)CSc1nnc([C@H]2C[C@@H]2c2ccccc2)n1C)c1ccccc1 ZINC000017080239 210202416 /nfs/dbraw/zinc/20/24/16/210202416.db2.gz DFDROKBUAHEOAA-LZQZEXGQSA-N 0 0 392.528 4.056 40 0 GIABRN O=[N+]([O-])C(=C/c1ccccc1)/C(=C(\Br)[N+](=O)[O-])c1ccccc1 ZINC000016952545 210199122 /nfs/dbraw/zinc/19/91/22/210199122.db2.gz AMJSDWFVTLSWMP-LPVXAABHSA-N 0 0 375.178 4.345 40 0 GIABRN CCc1nn(CC(=O)Nc2cccc(Cl)c2Cl)c(=S)n1-n1cccc1 ZINC000016807034 210196305 /nfs/dbraw/zinc/19/63/05/210196305.db2.gz KYOYBALKNWWJNL-UHFFFAOYSA-N 0 0 396.303 4.035 40 0 GIABRN Cc1cc2sc(NC(=O)CN3CCCCCC3)nc2c(Br)c1 ZINC000016740506 210194631 /nfs/dbraw/zinc/19/46/31/210194631.db2.gz ZVYXRZAXLDWKGL-UHFFFAOYSA-N 0 0 382.327 4.182 40 0 GIABRN Cc1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)NCCc3ccccc3)c12 ZINC000036615956 210153877 /nfs/dbraw/zinc/15/38/77/210153877.db2.gz BTKPPYVDUPEPAL-UHFFFAOYSA-N 0 0 388.446 4.149 40 0 GIABRN C[C@H](NC(=O)c1ccccc1NC(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC000014792879 210129803 /nfs/dbraw/zinc/12/98/03/210129803.db2.gz NDVITLCTHKOADZ-INIZCTEOSA-N 0 0 376.431 4.498 40 0 GIABRN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000014582590 210121604 /nfs/dbraw/zinc/12/16/04/210121604.db2.gz IXUVVWYIRDHVMM-GFCCVEGCSA-N 0 0 389.477 4.376 40 0 GIABRN Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1=O ZINC000013787506 210089815 /nfs/dbraw/zinc/08/98/15/210089815.db2.gz GKRZWPGGLFLQQA-FKBYEOEOSA-N 0 0 384.435 4.046 40 0 GIABRN Cc1cccc(C)c1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1=O ZINC000013750431 210087309 /nfs/dbraw/zinc/08/73/09/210087309.db2.gz SYBDVGVMJKJPBQ-PMVMPFDFSA-N 0 0 398.462 4.355 40 0 GIABRN CC[C@H](C(=O)Nc1ccc2ccccc2c1)N(c1ccccc1)S(C)(=O)=O ZINC000013711056 210081243 /nfs/dbraw/zinc/08/12/43/210081243.db2.gz DHWQGZGHMJXBIJ-HXUWFJFHSA-N 0 0 382.485 4.023 40 0 GIABRN CC[C@H](C(=O)Nc1ccc(C)c(Cl)c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713353 210083346 /nfs/dbraw/zinc/08/33/46/210083346.db2.gz IAHUTDZHUBFCCM-GOSISDBHSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716128 210082915 /nfs/dbraw/zinc/08/29/15/210082915.db2.gz DRXLLICVKSNPAG-SFHVURJKSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@H](C(=O)Nc1c(C)cccc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716099 210082980 /nfs/dbraw/zinc/08/29/80/210082980.db2.gz AZVPAWVODKIENW-LJQANCHMSA-N 0 0 388.533 4.104 40 0 GIABRN CC[C@@H](C(=O)Nc1c(C)cccc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716101 210083062 /nfs/dbraw/zinc/08/30/62/210083062.db2.gz AZVPAWVODKIENW-IBGZPJMESA-N 0 0 388.533 4.104 40 0 GIABRN CC[C@@H](C(=O)Nc1cc(C)cc(C)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714129 210082231 /nfs/dbraw/zinc/08/22/31/210082231.db2.gz BRGRKVKNUOXSLK-SFHVURJKSA-N 0 0 394.924 4.140 40 0 GIABRN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 ZINC000013710777 210081888 /nfs/dbraw/zinc/08/18/88/210081888.db2.gz QYFDEZAEMILBFF-GOSISDBHSA-N 0 0 380.488 4.336 40 0 GIABRN C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000013632403 210074451 /nfs/dbraw/zinc/07/44/51/210074451.db2.gz SMXUOIZBTVRCEY-MRXNPFEDSA-N 0 0 392.480 4.079 40 0 GIABRN COc1cc2c(cc1OC)CN(C(=O)C13C[C@H]4C[C@H](CC(Cl)(C4)C1)C3)CC2 ZINC000013541303 210067560 /nfs/dbraw/zinc/06/75/60/210067560.db2.gz XCBCTXCAAFBXLH-BXBLUCELSA-N 0 0 389.923 4.166 40 0 GIABRN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)[C@@H]4CC=CCC4)C3)cc2n1 ZINC000013225512 210055078 /nfs/dbraw/zinc/05/50/78/210055078.db2.gz YGCSCBLIDJCXOY-HUUCEWRRSA-N 0 0 392.425 4.119 40 0 GIABRN CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000012238661 209927184 /nfs/dbraw/zinc/92/71/84/209927184.db2.gz BHGALERKHJGASP-IBGZPJMESA-N 0 0 394.425 4.260 40 0 GIABRN CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)Cc2ccccc2F)C1 ZINC000012238615 209927130 /nfs/dbraw/zinc/92/71/30/209927130.db2.gz FCWBAQZKTILFMS-IBGZPJMESA-N 0 0 390.462 4.050 40 0 GIABRN CC[C@H](CO)NC(=O)C1(Cc2ccccc2-c2ccc(C)cc2C)CCOCC1 ZINC000012231608 209924511 /nfs/dbraw/zinc/92/45/11/209924511.db2.gz QDIBTIIPWSQKDR-OAQYLSRUSA-N 0 0 395.543 4.197 40 0 GIABRN Cc1cc2oc(C(=O)N(C)Cc3nc4cc(Cl)ccc4[nH]3)cc(=O)c2cc1C ZINC000012147545 209913735 /nfs/dbraw/zinc/91/37/35/209913735.db2.gz KMCBYIMMYLZUTR-UHFFFAOYSA-N 0 0 395.846 4.212 40 0 GIABRN CC(C)c1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)cc1 ZINC000036701615 209848463 /nfs/dbraw/zinc/84/84/63/209848463.db2.gz FEPAYXGJEZOWOQ-YSSFQJQWSA-N 0 0 375.476 4.060 40 0 GIABRN CC(C)(C)c1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)n[nH]2)cc1 ZINC000008904538 209805374 /nfs/dbraw/zinc/80/53/74/209805374.db2.gz IRVATPOUZCTMPP-UHFFFAOYSA-N 0 0 377.492 4.349 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000007130018 209720983 /nfs/dbraw/zinc/72/09/83/209720983.db2.gz LLTJIQHXPCDLFU-UHFFFAOYSA-N 0 0 394.471 4.018 40 0 GIABRN Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)COc3ccc(Cl)cc3)cc2)n1 ZINC000035317116 209632843 /nfs/dbraw/zinc/63/28/43/209632843.db2.gz RXONUFFDEKDGFM-HNNXBMFYSA-N 0 0 383.879 4.340 40 0 GIABRN O=C1S/C(=C\c2cccc(Br)c2)C(=O)N1c1cccc(O)c1 ZINC000005376211 209590687 /nfs/dbraw/zinc/59/06/87/209590687.db2.gz XVUYDQJJUAJGKG-ZSOIEALJSA-N 0 0 376.231 4.396 40 0 GIABRN Cc1cccc(NC(=O)CSCc2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1 ZINC000005009103 209557822 /nfs/dbraw/zinc/55/78/22/209557822.db2.gz PARVKOMNZNWFKN-UHFFFAOYSA-N 0 0 399.541 4.044 40 0 GIABRN CCCC[C@@H](CC)C(=O)OCCNC(=O)[C@H](C)OC(=O)[C@@H](CC)CCCC ZINC000004428346 209486507 /nfs/dbraw/zinc/48/65/07/209486507.db2.gz XPCZYYMXPSFVJU-KSZLIROESA-N 0 0 385.545 4.010 40 0 GIABRN COCC(O)(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000003188460 209415272 /nfs/dbraw/zinc/41/52/72/209415272.db2.gz XIIHNMCIMWEBSS-UHFFFAOYSA-N 0 0 386.083 4.094 40 0 GIABRN Cc1nn(C)c(C)c1CN(C)C(=O)c1ccccc1COc1ccc(F)cc1F ZINC000002788300 209385251 /nfs/dbraw/zinc/38/52/51/209385251.db2.gz ITFCXOARQORJED-UHFFFAOYSA-N 0 0 399.441 4.166 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)OCc1ccccc1 ZINC000001698187 209337595 /nfs/dbraw/zinc/33/75/95/209337595.db2.gz IEWAFQWZEJLLGA-UHFFFAOYSA-N 0 0 385.416 4.407 40 0 GIABRN CCOC(=O)[C@](NC(=O)OCc1ccccc1)(OCc1ccccc1)C(C)C ZINC000001736287 209337014 /nfs/dbraw/zinc/33/70/14/209337014.db2.gz WWBOXHNDGMYILS-JOCHJYFZSA-N 0 0 385.460 4.045 40 0 GIABRN O=C(CSc1nnc2c(n1)-c1cccc3cccc-2c13)N1CCCCCC1 ZINC000001371785 209324485 /nfs/dbraw/zinc/32/44/85/209324485.db2.gz KWHSTTZCZQLKEA-UHFFFAOYSA-N 0 0 376.485 4.167 40 0 GIABRN COc1ccc(-c2nc(NC(=O)c3cc(C(C)(C)C)nn3C)sc2C)cc1 ZINC000001361520 209323105 /nfs/dbraw/zinc/32/31/05/209323105.db2.gz SKBYXPOHZGLAAR-UHFFFAOYSA-N 0 0 384.505 4.410 40 0 aggregator GIABRN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1nc2ccc(F)cc2s1 ZINC000001265740 209318397 /nfs/dbraw/zinc/31/83/97/209318397.db2.gz XXIOTCLQZQFXOZ-UHFFFAOYSA-N 0 0 379.869 4.145 40 0 GIABRN COc1ccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)cc1Cl ZINC000001256034 209317773 /nfs/dbraw/zinc/31/77/73/209317773.db2.gz HVXZHRNWBYMCRI-UHFFFAOYSA-N 0 0 395.868 4.224 40 0 GIABRN COC(=O)c1ccc(Br)cc1OC(=O)c1cc(Cl)ccc1OC ZINC000001086188 209298674 /nfs/dbraw/zinc/29/86/74/209298674.db2.gz XAWKHHLXELWKFI-UHFFFAOYSA-N 0 0 399.624 4.117 40 0 GIABRN COc1ccc(-n2nc3ccc(NC(=O)c4cccc(Cl)c4)cc3n2)cc1 ZINC000000989987 209286548 /nfs/dbraw/zinc/28/65/48/209286548.db2.gz FVSBVGTXYMXKBM-UHFFFAOYSA-N 0 0 378.819 4.335 40 0 GIABRN COc1ccc2nc(NC(=O)c3sc4nc(C)cc(C)c4c3N)sc2c1 ZINC000000920375 209279761 /nfs/dbraw/zinc/27/97/61/209279761.db2.gz PDSQZZTWQYOBPO-UHFFFAOYSA-N 0 0 384.486 4.366 40 0 GIABRN Cc1ccc(NC(=O)[C@H](C)Sc2nnc3c(n2)[C@]2(C)CC[C@H]3C2(C)C)cc1 ZINC000000886789 209275497 /nfs/dbraw/zinc/27/54/97/209275497.db2.gz ZXFFBBRSFHKUMQ-KUUHDYPXSA-N 0 0 382.533 4.474 40 0 GIABRN COc1ccc(-c2nc3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3o2)cc1 ZINC000000809550 209268008 /nfs/dbraw/zinc/26/80/08/209268008.db2.gz GZZGHLIGTODRRW-UHFFFAOYSA-N 0 0 388.379 4.484 40 0 GIABRN COc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(C)cc4)C3)n2)cc1 ZINC000001362872 209190147 /nfs/dbraw/zinc/19/01/47/209190147.db2.gz QEDZDSGUDSUOLP-GOSISDBHSA-N 0 0 377.444 4.073 40 0 GIABRN COc1ccc(-c2nc3cc(C)c(C)c(Br)c3o2)cc1-n1cnnc1 ZINC000045920729 209196538 /nfs/dbraw/zinc/19/65/38/209196538.db2.gz AXRMQGNTNLDTBC-UHFFFAOYSA-N 0 0 399.248 4.463 40 0 GIABRN CCOC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)C1 ZINC000045887120 209195642 /nfs/dbraw/zinc/19/56/42/209195642.db2.gz RRNDNCFIOBTKPT-CYBMUJFWSA-N 0 0 384.819 4.064 40 0 GIABRN Cc1cc2[nH]c(=NN)sc2c(C)c1NC(=O)COc1ccc(Cl)c(C)c1 ZINC000045890271 209194756 /nfs/dbraw/zinc/19/47/56/209194756.db2.gz JXHFGQWWOOMRGQ-UHFFFAOYSA-N 0 0 390.896 4.178 40 0 GIABRN COc1ccc(NC(=O)N2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccccc2)C3)cc1 ZINC000004888186 209189925 /nfs/dbraw/zinc/18/99/25/209189925.db2.gz IPUANSIRXSYGDB-IHWFROFDSA-N 0 0 393.487 4.043 40 0 GIABRN COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)cc1 ZINC000006457640 212070821 /nfs/dbraw/zinc/07/08/21/212070821.db2.gz XMHQAOSQGDDZSB-UHFFFAOYSA-N 0 0 376.412 4.208 40 0 GIABRN C[C@H](OC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1)c1ccccc1 ZINC000100391302 212065428 /nfs/dbraw/zinc/06/54/28/212065428.db2.gz SVVQWTYCSSDGFR-YSSFQJQWSA-N 0 0 377.440 4.284 40 0 GIABRN CCc1ccc(OCc2cccc(C(=O)NCc3c(C)nn(C)c3C)c2)cc1 ZINC000002754204 212062925 /nfs/dbraw/zinc/06/29/25/212062925.db2.gz JFSVVAWYQYNFIM-UHFFFAOYSA-N 0 0 377.488 4.108 40 0 GIABRN COc1ccc(/C=C/C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)c(OC)c1 ZINC000000936262 212061097 /nfs/dbraw/zinc/06/10/97/212061097.db2.gz ZAVAOOCXNAEIPE-XYOKQWHBSA-N 0 0 383.444 4.169 40 0 GIABRN COC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000001058635 212060965 /nfs/dbraw/zinc/06/09/65/212060965.db2.gz SDZJGLYVMUMZRN-UHFFFAOYSA-N 0 0 395.480 4.177 40 0 GIABRN O=C1c2cccn2[C@@H]2CN(Cc3cccc(Cl)c3)C[C@@H]2N1Cc1cccs1 ZINC000306130390 212046669 /nfs/dbraw/zinc/04/66/69/212046669.db2.gz JETNDUFLAOUMLD-UXHICEINSA-N 0 0 397.931 4.285 40 0 GIABRN O=C([O-])C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(c2ccccc2)CC1 ZINC000257339102 212028518 /nfs/dbraw/zinc/02/85/18/212028518.db2.gz ZAFGATPWQIWOFB-UHFFFAOYSA-N 0 0 392.421 4.261 40 0 GIABRN CC[C@H](CO)NC(=O)C1(Cc2ccc(-c3cc(C)cc(C)c3)cc2)CCOCC1 ZINC000257344035 212028092 /nfs/dbraw/zinc/02/80/92/212028092.db2.gz ZVMMDSJREUSTHU-HSZRJFAPSA-N 0 0 395.543 4.197 40 0 GIABRN O=C(c1cccnc1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257345011 212028097 /nfs/dbraw/zinc/02/80/97/212028097.db2.gz ZZOMTSLDGOYZAZ-QGZVFWFLSA-N 0 0 381.863 4.334 40 0 GIABRN Cc1noc(C)c1-c1ccc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)nc1 ZINC000257337692 212027718 /nfs/dbraw/zinc/02/77/18/212027718.db2.gz YTZJPJTTXQULSC-HXUWFJFHSA-N 0 0 379.435 4.399 40 0 GIABRN C[C@H](OC(=O)CCCCCOC(=O)c1ccccc1)C(=O)OCc1ccccc1 ZINC000263583703 212030736 /nfs/dbraw/zinc/03/07/36/212030736.db2.gz UKTLMHLQSCRTEC-SFHVURJKSA-N 0 0 398.455 4.079 40 0 GIABRN CCc1nnsc1C(=O)N1CCC[C@@H](c2cc(-c3ccccc3)cc(C)n2)C1 ZINC000257340701 212027544 /nfs/dbraw/zinc/02/75/44/212027544.db2.gz ZHFUQHBBIVCJSW-QGZVFWFLSA-N 0 0 392.528 4.491 40 0 GIABRN Cc1cnc(C(=O)N2CCC[C@H](c3cc(-c4ccc(F)cc4)cc(C)n3)C2)cn1 ZINC000257328704 212025428 /nfs/dbraw/zinc/02/54/28/212025428.db2.gz XGTUCUABTRLSPY-SFHVURJKSA-N 0 0 390.462 4.314 40 0 GIABRN Cc1ccccc1OCC(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257328210 212025512 /nfs/dbraw/zinc/02/55/12/212025512.db2.gz XEQYQUYPNABPBP-FQEVSTJZSA-N 0 0 394.446 4.455 40 0 GIABRN C[C@]1(O)CCN(C(=O)c2cccc(Cl)c2)C[C@@H]1Oc1ccc(Cl)cc1 ZINC000257331535 212025184 /nfs/dbraw/zinc/02/51/84/212025184.db2.gz XTHDXRLKDMKFDH-HKUYNNGSSA-N 0 0 380.271 4.038 40 0 GIABRN C[C@@]1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)c2cncs2)C1 ZINC000257328649 212025193 /nfs/dbraw/zinc/02/51/93/212025193.db2.gz XGOOSBGNHAHJFA-HXUWFJFHSA-N 0 0 385.464 4.055 40 0 GIABRN CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4c(F)cccc4OC)OCC[C@]13C2 ZINC000257316329 212024351 /nfs/dbraw/zinc/02/43/51/212024351.db2.gz VFCQXDYDSMMVDY-XYUKBBDFSA-N 0 0 375.484 4.243 40 0 GIABRN Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCCN2C(=O)c2cnccn2)n1 ZINC000257337024 212027325 /nfs/dbraw/zinc/02/73/25/212027325.db2.gz YRAVZOCPAHSANT-NRFANRHFSA-N 0 0 376.435 4.354 40 0 GIABRN Cc1cc(Nc2ccnc(C[C@@H]3CCCN(C(=O)C4CCCCC4)CC3)n2)n[nH]1 ZINC000257324783 212026499 /nfs/dbraw/zinc/02/64/99/212026499.db2.gz WQDDXYXBXPXVOH-QGZVFWFLSA-N 0 0 396.539 4.003 40 0 GIABRN O=C(CCc1ccc(F)cc1)N1CCC[C@]2(CN(c3ccccc3)C(=O)O2)CC1 ZINC000257331288 212026446 /nfs/dbraw/zinc/02/64/46/212026446.db2.gz XSEFEHZKYZIZBR-HSZRJFAPSA-N 0 0 396.462 4.166 40 0 GIABRN O=C(CCc1ccccc1)N1CCO[C@@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000257328893 212025910 /nfs/dbraw/zinc/02/59/10/212025910.db2.gz XHMRPWRRVGRYMV-XMMPIXPASA-N 0 0 386.495 4.205 40 0 GIABRN Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3cnccn3)C2)n1 ZINC000257324713 212025947 /nfs/dbraw/zinc/02/59/47/212025947.db2.gz WPUUPHSONCJRMR-KRWDZBQOSA-N 0 0 376.435 4.006 40 0 GIABRN Cc1noc(C)c1-c1cc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2)nc(C)n1 ZINC000257317003 212023661 /nfs/dbraw/zinc/02/36/61/212023661.db2.gz VHXPKPKLPOCXBV-VIOKTNGOSA-N 0 0 388.471 4.434 40 0 GIABRN COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(Cl)cc4)OCC[C@@]31C2 ZINC000257294949 212020213 /nfs/dbraw/zinc/02/02/13/212020213.db2.gz QWJRSRBVUMKTQE-XUKPVSMISA-N 0 0 391.939 4.375 40 0 GIABRN Cc1nccc(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)n1 ZINC000257303034 212019951 /nfs/dbraw/zinc/01/99/51/212019951.db2.gz SFNAYOVIHKOAER-MRXNPFEDSA-N 0 0 396.878 4.037 40 0 GIABRN CNc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(-c3ccccc3C(=O)[O-])o2)n1 ZINC000257303371 212019659 /nfs/dbraw/zinc/01/96/59/212019659.db2.gz SGXIAFGQEFMELI-LJQANCHMSA-N 0 0 377.444 4.419 40 0 GIABRN CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(-n5ccnc5C)cc4)OCC[C@@]31C2 ZINC000257285286 212018062 /nfs/dbraw/zinc/01/80/62/212018062.db2.gz PGLJAJQPVNVTPN-UVFBAWLLSA-N 0 0 393.531 4.199 40 0 GIABRN Cn1ccnc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257288891 212018013 /nfs/dbraw/zinc/01/80/13/212018013.db2.gz PWCBBYSGJYOMAQ-QGZVFWFLSA-N 0 0 384.867 4.020 40 0 GIABRN COC(=O)c1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)C(C)C)cc1 ZINC000257289747 212017773 /nfs/dbraw/zinc/01/77/73/212017773.db2.gz PZZZKAWLMVBSOZ-HHKUTSEXSA-N 0 0 399.531 4.128 40 0 GIABRN Cc1n[nH]cc1C(=O)N1CCC[C@@H](c2cc(-c3ccc(F)cc3)cc(C)n2)C1 ZINC000257279758 212016205 /nfs/dbraw/zinc/01/62/05/212016205.db2.gz OIBCWLGFMYEVOQ-QGZVFWFLSA-N 0 0 378.451 4.247 40 0 GIABRN O=C(N1CCC[C@H](Cc2ccccn2)C1)C1(Cc2ccccc2F)CCOCC1 ZINC000257276978 212016837 /nfs/dbraw/zinc/01/68/37/212016837.db2.gz NVYHHRSIDSPLEB-LJQANCHMSA-N 0 0 396.506 4.041 40 0 GIABRN Cc1noc(C)c1-c1ccc([C@@H]2CCCN(C(=O)c3ccc(C)nc3)C2)nc1 ZINC000257265534 212014238 /nfs/dbraw/zinc/01/42/38/212014238.db2.gz LZAWEHUBEWIHME-LJQANCHMSA-N 0 0 376.460 4.077 40 0 GIABRN COc1cccc(C(=O)N2CCC[C@@H](c3ccc(-c4c(C)noc4C)cn3)C2)c1 ZINC000257282591 212015766 /nfs/dbraw/zinc/01/57/66/212015766.db2.gz OUKINBNCERZCGL-LJQANCHMSA-N 0 0 391.471 4.382 40 0 GIABRN COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3cccc(C)n3)o2)c1 ZINC000257269060 212014864 /nfs/dbraw/zinc/01/48/64/212014864.db2.gz MOKHFIZKOPXDPP-NRFANRHFSA-N 0 0 391.471 4.345 40 0 GIABRN Cc1c(C(N)=O)c2ccccc2n1C(=O)COc1ccc(Cl)cc1Cl ZINC000216749264 209174783 /nfs/dbraw/zinc/17/47/83/209174783.db2.gz BPFHUAOXVQCUQP-UHFFFAOYSA-N 0 0 377.227 4.075 40 0 GIABRN Nc1nnc(-c2ccc(OCc3ccccc3Cl)c(Br)c2)o1 ZINC000216816859 209175262 /nfs/dbraw/zinc/17/52/62/209175262.db2.gz CFOZSZAGAZALQP-UHFFFAOYSA-N 0 0 380.629 4.314 40 0 GIABRN Cc1ncsc1C(=O)N1CCCC[C@H]1c1cc(C)nc(-c2c(C)noc2C)n1 ZINC000257270217 212014050 /nfs/dbraw/zinc/01/40/50/212014050.db2.gz MTFPWUXGYOGVGH-INIZCTEOSA-N 0 0 397.504 4.189 40 0 GIABRN Fc1cc(Br)ccc1Nc1cc(Cl)nc(-c2cccnc2)n1 ZINC000329024816 209158429 /nfs/dbraw/zinc/15/84/29/209158429.db2.gz PBQRFAIKKVULDI-UHFFFAOYSA-N 0 0 379.620 4.259 40 0 GIABRN O=C(C1CCCCC1)N1CCO[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257258298 212012759 /nfs/dbraw/zinc/01/27/59/212012759.db2.gz KTGAEPISUMYFIE-LJQANCHMSA-N 0 0 388.895 4.399 40 0 GIABRN Oc1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)c(Cl)c1 ZINC000329072485 209162455 /nfs/dbraw/zinc/16/24/55/209162455.db2.gz ZYNBGHSINZHBNZ-UHFFFAOYSA-N 0 0 395.894 4.230 40 0 GIABRN COc1ccc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)cn1 ZINC000257254673 212012390 /nfs/dbraw/zinc/01/23/90/212012390.db2.gz KEETVVMETNYUEN-LJQANCHMSA-N 0 0 395.434 4.176 40 0 GIABRN CCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)c(O)c4)OCC[C@]13C2 ZINC000257250597 212010365 /nfs/dbraw/zinc/01/03/65/212010365.db2.gz JNFPUJNUAJWTMP-UALQTUHCSA-N 0 0 387.520 4.200 40 0 GIABRN COC(=O)c1ccc2c(c1)CCN(c1ccnc(Nc3cccc(Cl)c3)n1)C2 ZINC000329070356 209159704 /nfs/dbraw/zinc/15/97/04/209159704.db2.gz ZGJNGLOALSTVHN-UHFFFAOYSA-N 0 0 394.862 4.223 40 0 GIABRN CC[C@H](C)Nc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(C2CC2)n1 ZINC000329050609 209159733 /nfs/dbraw/zinc/15/97/33/209159733.db2.gz UTRQAQLKPFUOCD-AWEZNQCLSA-N 0 0 382.508 4.144 40 0 GIABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccncc2)nc(NC2CC2)n1 ZINC000329057272 209159627 /nfs/dbraw/zinc/15/96/27/209159627.db2.gz VWYAHOXIRVRHAZ-UHFFFAOYSA-N 0 0 385.393 4.028 40 0 GIABRN COc1ncccc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257233352 212007739 /nfs/dbraw/zinc/00/77/39/212007739.db2.gz GOXNBYCZSKKVSZ-GOSISDBHSA-N 0 0 397.862 4.300 40 0 GIABRN C[C@]1(O)CN(C(=O)c2cc3cc(Cl)ccc3o2)CC[C@@H]1Oc1ccccc1 ZINC000257232791 212007504 /nfs/dbraw/zinc/00/75/04/212007504.db2.gz GMLKFKOTZBFTFE-FPOVZHCZSA-N 0 0 385.847 4.131 40 0 GIABRN COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3scnc3C)o2)c1 ZINC000257230931 212006614 /nfs/dbraw/zinc/00/66/14/212006614.db2.gz GENHYXOMFSVLBT-SFHVURJKSA-N 0 0 397.500 4.406 40 0 GIABRN COc1ccccc1C(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257217300 212005733 /nfs/dbraw/zinc/00/57/33/212005733.db2.gz CYKMKZNXZRLXJO-LJQANCHMSA-N 0 0 380.419 4.390 40 0 GIABRN COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3ncccc3C)o2)c1 ZINC000257224114 212005803 /nfs/dbraw/zinc/00/58/03/212005803.db2.gz FAJVWKJJJNRMJU-HXUWFJFHSA-N 0 0 391.471 4.345 40 0 GIABRN CCCc1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)n(C)n1 ZINC000257206288 212003593 /nfs/dbraw/zinc/00/35/93/212003593.db2.gz BCSGEJKZIRPVHZ-IBGZPJMESA-N 0 0 396.466 4.068 40 0 GIABRN COc1cc(C)ccc1CN1CCO[C@H](c2cncc(-c3ccccc3F)n2)C1 ZINC000257209777 212002960 /nfs/dbraw/zinc/00/29/60/212002960.db2.gz BRVZUCGQTJLHGP-QHCPKHFHSA-N 0 0 393.462 4.173 40 0 GIABRN CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)c2nccc3ccccc32)n1 ZINC000257200193 212002429 /nfs/dbraw/zinc/00/24/29/212002429.db2.gz ACJAUOVDBWOSRM-FQEVSTJZSA-N 0 0 388.515 4.323 40 0 GIABRN CC(C)Nc1cc(N2CCc3cc(Br)ccc3C2)nc(C2CC2)n1 ZINC000329035417 209157673 /nfs/dbraw/zinc/15/76/73/209157673.db2.gz REKQUNAKLLAGSC-UHFFFAOYSA-N 0 0 387.325 4.500 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccccc2)n1 ZINC000329003414 209156726 /nfs/dbraw/zinc/15/67/26/209156726.db2.gz KMRXBTHEJNOPDV-LJQANCHMSA-N 0 0 398.894 4.097 40 0 GIABRN CCNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccn2)n1 ZINC000329036402 209157066 /nfs/dbraw/zinc/15/70/66/209157066.db2.gz RIHIKEGYOPERQJ-UHFFFAOYSA-N 0 0 393.800 4.230 40 0 GIABRN Cc1c(F)cccc1Nc1cc(-c2ccccc2)nc(N[C@H](CO)C(C)C)n1 ZINC000329007731 209156668 /nfs/dbraw/zinc/15/66/68/209156668.db2.gz LNODMLNKCTWCBX-HXUWFJFHSA-N 0 0 380.467 4.185 40 0 GIABRN Fc1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)c(F)c1 ZINC000328997791 209155942 /nfs/dbraw/zinc/15/59/42/209155942.db2.gz JPKICSPMPRXIBK-UHFFFAOYSA-N 0 0 381.430 4.149 40 0 GIABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(C2CC2)nc(N[C@H](CO)C(C)C)n1 ZINC000328998556 209155871 /nfs/dbraw/zinc/15/58/71/209155871.db2.gz JSSOFGZZJLLARX-QGZVFWFLSA-N 0 0 394.441 4.276 40 0 GIABRN COc1ccccc1C1OCC(C)(C(=O)Nc2ccc(OC(C)C)cc2)CO1 ZINC000225921028 211934632 /nfs/dbraw/zinc/93/46/32/211934632.db2.gz KRLPKUWJSMSOPH-UHFFFAOYSA-N 0 0 385.460 4.173 40 0 GIABRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000225851072 211933645 /nfs/dbraw/zinc/93/36/45/211933645.db2.gz CHNXGKRQSHOWQK-AKGOGDBKSA-N 0 0 392.430 4.375 40 0 GIABRN CCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1C(=O)OC ZINC000225831349 211932306 /nfs/dbraw/zinc/93/23/06/211932306.db2.gz ZSYLFUCGYIVEFI-QVKFZJNVSA-N 0 0 377.481 4.186 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccc(OC)c(C)c1 ZINC000225813758 211930070 /nfs/dbraw/zinc/93/00/70/211930070.db2.gz LLDBKRZDVRDFKF-IBGZPJMESA-N 0 0 383.488 4.363 40 0 GIABRN C[C@@H](CCc1ccccc1)NC(=O)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000225809715 211928885 /nfs/dbraw/zinc/92/88/85/211928885.db2.gz PGIQELPJHNXRJX-HNNXBMFYSA-N 0 0 383.879 4.460 40 0 GIABRN Fc1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCC3)n2)c(Cl)c1 ZINC000328961096 209154854 /nfs/dbraw/zinc/15/48/54/209154854.db2.gz BBQOEOKVYLTFFN-UHFFFAOYSA-N 0 0 383.858 4.273 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)c2snnc2-c2cccs2)cc1 ZINC000225790606 211928008 /nfs/dbraw/zinc/92/80/08/211928008.db2.gz RHUYLIBFNHFPRW-UHFFFAOYSA-N 0 0 387.486 4.476 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)c1 ZINC000225790950 211928216 /nfs/dbraw/zinc/92/82/16/211928216.db2.gz DIIUWXMUBBXBNF-INIZCTEOSA-N 0 0 386.517 4.234 40 0 GIABRN CCOC(=O)c1cc(NC(=O)C(Cl)(Cl)Cl)ccc1O[C@H](C)CC ZINC000225783755 211925834 /nfs/dbraw/zinc/92/58/34/211925834.db2.gz BBXLERMUXUTVJD-SECBINFHSA-N 0 0 382.671 4.349 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1cc(C)ccc1C ZINC000225714488 211920282 /nfs/dbraw/zinc/92/02/82/211920282.db2.gz WJBJGBUHIRWFKT-NRFANRHFSA-N 0 0 396.531 4.014 40 0 GIABRN CC(C)CSc1nnc(NC(=O)COc2ccc3c(c2)CCCC3)s1 ZINC000225711306 211919031 /nfs/dbraw/zinc/91/90/31/211919031.db2.gz ZXTWNJHDJPWKLU-UHFFFAOYSA-N 0 0 377.535 4.183 40 0 GIABRN COc1ccc2c(c1)[C@H](NC(=O)C1(c3ccccc3)CCOCC1)CC(C)(C)O2 ZINC000225428983 211897645 /nfs/dbraw/zinc/89/76/45/211897645.db2.gz XTTIAJMIXUMPKJ-HXUWFJFHSA-N 0 0 395.499 4.162 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(OC(F)F)cc2)cc(C2CC2)n1 ZINC000328976845 209154090 /nfs/dbraw/zinc/15/40/90/209154090.db2.gz FQJIYXIHUXENLE-MRXNPFEDSA-N 0 0 378.423 4.128 40 0 GIABRN CC[C@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(OC)cc1 ZINC000225490596 211901411 /nfs/dbraw/zinc/90/14/11/211901411.db2.gz PIEVNHWRGWWSCP-IBGZPJMESA-N 0 0 383.517 4.260 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000225255669 211888620 /nfs/dbraw/zinc/88/86/20/211888620.db2.gz BXPOCOSGGVKSQD-NRFANRHFSA-N 0 0 384.495 4.092 40 0 GIABRN Fc1cccc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)c1F ZINC000328974225 209153968 /nfs/dbraw/zinc/15/39/68/209153968.db2.gz FEIQBFUBVJFFLX-UHFFFAOYSA-N 0 0 381.430 4.149 40 0 GIABRN Fc1cc(F)c(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)c(F)c1 ZINC000328974173 209153799 /nfs/dbraw/zinc/15/37/99/209153799.db2.gz FDSPZPWAZJYFIL-UHFFFAOYSA-N 0 0 399.420 4.288 40 0 GIABRN COc1ccc(CCNC(=O)CCc2ccc(Cl)c(Cl)c2)cc1OC ZINC000225323938 211891568 /nfs/dbraw/zinc/89/15/68/211891568.db2.gz JGGFZXRXXLZASR-UHFFFAOYSA-N 0 0 382.287 4.302 40 0 GIABRN COc1cc2ccccc2cc1C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000224911782 211877400 /nfs/dbraw/zinc/87/74/00/211877400.db2.gz AVVDTCXAHKMDGE-UHFFFAOYSA-N 0 0 375.468 4.327 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2c(C)cc(C)cc2C)cc1Br ZINC000224884682 211875727 /nfs/dbraw/zinc/87/57/27/211875727.db2.gz OYLXCARDAVRWSC-UHFFFAOYSA-N 0 0 398.322 4.208 40 0 GIABRN CCCC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224845961 211874890 /nfs/dbraw/zinc/87/48/90/211874890.db2.gz RNFUKTCMZMJUCQ-JOCHJYFZSA-N 0 0 380.532 4.260 40 0 GIABRN CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCSc1ccccc1 ZINC000224596088 211868229 /nfs/dbraw/zinc/86/82/29/211868229.db2.gz MFGKUQQMXIFLPZ-OAQYLSRUSA-N 0 0 398.572 4.155 40 0 GIABRN CCc1ccc(CC)c(CNC(=O)c2ccc(I)cc2)c1 ZINC000224630503 211867335 /nfs/dbraw/zinc/86/73/35/211867335.db2.gz ORAMGSXPVZFESM-UHFFFAOYSA-N 0 0 393.268 4.346 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(COC(C)C)c2)cc1 ZINC000224718563 211871558 /nfs/dbraw/zinc/87/15/58/211871558.db2.gz BVHCLQHLVXBUKH-UHFFFAOYSA-N 0 0 385.460 4.439 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl ZINC000224703260 211871235 /nfs/dbraw/zinc/87/12/35/211871235.db2.gz WBLKLFLOCDHWNQ-KRWDZBQOSA-N 0 0 386.923 4.134 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 ZINC000224704160 211871029 /nfs/dbraw/zinc/87/10/29/211871029.db2.gz PGTHWWVTICODDN-HXUWFJFHSA-N 0 0 380.532 4.098 40 0 GIABRN CCCC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000224422793 211862728 /nfs/dbraw/zinc/86/27/28/211862728.db2.gz BRIQYWFBNMUFLI-OAQYLSRUSA-N 0 0 398.522 4.480 40 0 GIABRN COC[C@@H](C)NC(=O)c1ccc(OC)c(CSc2ccc(Cl)cc2)c1 ZINC000224392170 211862204 /nfs/dbraw/zinc/86/22/04/211862204.db2.gz CPDYTKLSCXACPF-CYBMUJFWSA-N 0 0 379.909 4.406 40 0 GIABRN Cc1ccc(OCCNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1Cl ZINC000224155166 211855630 /nfs/dbraw/zinc/85/56/30/211855630.db2.gz NVJQEGVXAPYMSY-UHFFFAOYSA-N 0 0 382.287 4.493 40 0 GIABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000224229610 211857677 /nfs/dbraw/zinc/85/76/77/211857677.db2.gz VTZCYDGHXRGSOR-AKGOGDBKSA-N 0 0 392.430 4.375 40 0 GIABRN CCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000224218374 211857936 /nfs/dbraw/zinc/85/79/36/211857936.db2.gz IGRBSAQOXZMVLH-UHFFFAOYSA-N 0 0 394.924 4.003 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(CC)cc1 ZINC000224128547 211854481 /nfs/dbraw/zinc/85/44/81/211854481.db2.gz MJBZYXULRIFBDX-QFIPXVFZSA-N 0 0 380.532 4.125 40 0 GIABRN Cc1cccc(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000224112258 211854557 /nfs/dbraw/zinc/85/45/57/211854557.db2.gz ZMFGDLNJPWQTLW-FQEVSTJZSA-N 0 0 392.543 4.056 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCOc2cc(C)cc(C)c2)cc1C(C)C ZINC000224111455 211853839 /nfs/dbraw/zinc/85/38/39/211853839.db2.gz PBUAUQRZCXELTB-UHFFFAOYSA-N 0 0 391.533 4.101 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccccc1 ZINC000224095346 211853408 /nfs/dbraw/zinc/85/34/08/211853408.db2.gz OKLUOKPJKVLOOS-HXUWFJFHSA-N 0 0 384.545 4.112 40 0 GIABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000223830653 211847177 /nfs/dbraw/zinc/84/71/77/211847177.db2.gz KMQKYUUUBXCMRX-KRWDZBQOSA-N 0 0 398.934 4.359 40 0 GIABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(Cl)cc2)c1 ZINC000223869930 211846518 /nfs/dbraw/zinc/84/65/18/211846518.db2.gz DKBCUHWOKUSEFH-MOSHPQCFSA-N 0 0 394.858 4.329 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223784430 211844713 /nfs/dbraw/zinc/84/47/13/211844713.db2.gz DOWVVKHHXMKVLU-HXUWFJFHSA-N 0 0 392.543 4.322 40 0 GIABRN COc1ccc(CCCNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1OC ZINC000223734544 211842744 /nfs/dbraw/zinc/84/27/44/211842744.db2.gz OSEPMCCXQGARQS-QGZVFWFLSA-N 0 0 397.515 4.099 40 0 GIABRN COc1cccc(-c2noc(CN(C)C(=O)C3(c4ccccc4)CCCC3)n2)c1 ZINC000223672402 211840556 /nfs/dbraw/zinc/84/05/56/211840556.db2.gz WABFRVHGGCZVMX-UHFFFAOYSA-N 0 0 391.471 4.216 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223814126 211843612 /nfs/dbraw/zinc/84/36/12/211843612.db2.gz LYDFLJNMJWNURW-SFHVURJKSA-N 0 0 396.506 4.153 40 0 GIABRN COc1ccc(CSCC(=O)NCCOc2ccc3ccccc3c2)cc1 ZINC000223582787 211836468 /nfs/dbraw/zinc/83/64/68/211836468.db2.gz XQLOPFSCQPVVTP-UHFFFAOYSA-N 0 0 381.497 4.277 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223270153 211827536 /nfs/dbraw/zinc/82/75/36/211827536.db2.gz IURJPHFIJRDICS-IBGZPJMESA-N 0 0 398.522 4.319 40 0 GIABRN Cc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc4c(c3)CCCC4)n2)c1 ZINC000223218534 211824884 /nfs/dbraw/zinc/82/48/84/211824884.db2.gz RMUPTBCUMRNHPD-MRXNPFEDSA-N 0 0 391.471 4.008 40 0 GIABRN COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1 ZINC000223199297 211824911 /nfs/dbraw/zinc/82/49/11/211824911.db2.gz JQSOSAYKQJKEDC-ZIAGYGMSSA-N 0 0 377.868 4.310 40 0 GIABRN CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CC ZINC000223196137 211825871 /nfs/dbraw/zinc/82/58/71/211825871.db2.gz WSQJSXAZFGKWGS-QFIPXVFZSA-N 0 0 398.522 4.482 40 0 GIABRN O=C(NCCCNc1ccnc2cc(Cl)ccc21)c1ccc(F)cc1F ZINC000222966714 211817014 /nfs/dbraw/zinc/81/70/14/211817014.db2.gz NRTSWKAPZZDLTH-UHFFFAOYSA-N 0 0 375.806 4.398 40 0 GIABRN CCOc1cccc(CNS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 ZINC000222991917 211816608 /nfs/dbraw/zinc/81/66/08/211816608.db2.gz ZDQLNHDZXMJPFT-UHFFFAOYSA-N 0 0 377.506 4.004 40 0 GIABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000223003298 211818773 /nfs/dbraw/zinc/81/87/73/211818773.db2.gz NXRKODGVTSUYPM-HXUWFJFHSA-N 0 0 393.487 4.478 40 0 GIABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000222821731 211812339 /nfs/dbraw/zinc/81/23/39/211812339.db2.gz XFTHYRAUOVJRSM-ZDUSSCGKSA-N 0 0 379.287 4.047 40 0 GIABRN CC(C)(C)c1ccccc1OCC(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000222802645 211811713 /nfs/dbraw/zinc/81/17/13/211811713.db2.gz LTKFSACHZNJFKY-UHFFFAOYSA-N 0 0 399.878 4.383 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccccc3Cl)s2)cc1 ZINC000222805309 211811582 /nfs/dbraw/zinc/81/15/82/211811582.db2.gz QJQKKNGPXBKPLV-NSHDSACASA-N 0 0 389.864 4.273 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000222935573 211815213 /nfs/dbraw/zinc/81/52/13/211815213.db2.gz BMCBTBIZQWHMPI-KRWDZBQOSA-N 0 0 386.923 4.053 40 0 GIABRN COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1 ZINC000222841885 211814365 /nfs/dbraw/zinc/81/43/65/211814365.db2.gz CSBGCFBGNLZXEW-LEWJYISDSA-N 0 0 392.528 4.262 40 0 GIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(OC)c1 ZINC000222887299 211813242 /nfs/dbraw/zinc/81/32/42/211813242.db2.gz JGNADRVEWVAAFE-LEWJYISDSA-N 0 0 392.528 4.263 40 0 GIABRN COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1 ZINC000222625417 211804766 /nfs/dbraw/zinc/80/47/66/211804766.db2.gz USKPCIBNNHDMKF-RVHYNSKXSA-N 0 0 390.512 4.470 40 0 GIABRN Cc1cccc(CSCC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)c1 ZINC000222747330 211809887 /nfs/dbraw/zinc/80/98/87/211809887.db2.gz HGEHNJYZCNEDSG-UHFFFAOYSA-N 0 0 381.501 4.245 40 0 GIABRN Cc1cccc(CSCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000222747151 211809832 /nfs/dbraw/zinc/80/98/32/211809832.db2.gz OCBWPLBDOACBBG-UHFFFAOYSA-N 0 0 387.892 4.248 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 ZINC000222415697 211800994 /nfs/dbraw/zinc/80/09/94/211800994.db2.gz VVVHGOBIDSTNDK-JOCHJYFZSA-N 0 0 380.532 4.260 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 ZINC000222402390 211800048 /nfs/dbraw/zinc/80/00/48/211800048.db2.gz FRJIPUFETYETMH-JOCHJYFZSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 ZINC000222496069 211802763 /nfs/dbraw/zinc/80/27/63/211802763.db2.gz SHFYGAJIZYCJQA-QFIPXVFZSA-N 0 0 380.532 4.178 40 0 GIABRN Cc1cccc(NC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1C ZINC000220355907 211784384 /nfs/dbraw/zinc/78/43/84/211784384.db2.gz HGGXDTOJNLLOQO-OAHLLOKOSA-N 0 0 394.924 4.058 40 0 GIABRN CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccccc2F)cc1OCC ZINC000219572409 211773884 /nfs/dbraw/zinc/77/38/84/211773884.db2.gz ARYKZQGMCWFRDK-KRWDZBQOSA-N 0 0 375.440 4.097 40 0 GIABRN Cc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc4ccccc4c3)n2)c1 ZINC000219033066 211764390 /nfs/dbraw/zinc/76/43/90/211764390.db2.gz IIJGIOIMRRQCRP-INIZCTEOSA-N 0 0 387.439 4.282 40 0 GIABRN COc1ccc2c(c1)[C@@H](NC(=O)COc1ccccc1Cl)CC(C)(C)O2 ZINC000218850604 211762787 /nfs/dbraw/zinc/76/27/87/211762787.db2.gz WSSUCVOZDAKGAA-INIZCTEOSA-N 0 0 375.852 4.146 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)CCSCc3ccccc3)n2)c1 ZINC000219000456 211765546 /nfs/dbraw/zinc/76/55/46/211765546.db2.gz KLVQSDQMPJSITI-UHFFFAOYSA-N 0 0 381.501 4.327 40 0 GIABRN Clc1cccc(Cl)c1CN(CCCN1CCOCC1)Cc1ccncc1 ZINC000013989989 211701509 /nfs/dbraw/zinc/70/15/09/211701509.db2.gz ZEELQAGXYHZQOC-UHFFFAOYSA-N 0 0 394.346 4.113 40 0 GIABRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NCCn2ccc3ccccc32)CC1 ZINC000101725601 211610698 /nfs/dbraw/zinc/61/06/98/211610698.db2.gz WJPWNQBGQBWJIL-IZAXUBKRSA-N 0 0 399.535 4.089 40 0 GIABRN Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Nc2ccccc2)C1 ZINC000008297457 211595145 /nfs/dbraw/zinc/59/51/45/211595145.db2.gz NKCZOGSIELBTDR-RBUKOAKNSA-N 0 0 399.494 4.475 40 0 biogenic,in-vitro GIABRN Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1cccc(O)c1)S[C@@H](C)C(=O)N2 ZINC000006679205 211580457 /nfs/dbraw/zinc/58/04/57/211580457.db2.gz RFDAXSNLIWXUDK-KPZWWZAWSA-N 0 0 383.448 4.189 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@@H]3c2cccc(O)c2)cc1 ZINC000006679327 211580982 /nfs/dbraw/zinc/58/09/82/211580982.db2.gz RQUICTHKSDNAPA-BFUOFWGJSA-N 0 0 395.484 4.058 40 0 GIABRN Cc1cc(NC(=O)c2ccco2)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1 ZINC000005000932 211558602 /nfs/dbraw/zinc/55/86/02/211558602.db2.gz ZPBHMVBFJUBKGA-UHFFFAOYSA-N 0 0 376.334 4.069 40 0 GIABRN CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000004849350 211551456 /nfs/dbraw/zinc/55/14/56/211551456.db2.gz VGYGDLXFSYRCCY-UHFFFAOYSA-N 0 0 396.468 4.265 40 0 GIABRN CCOc1cc(/C=C2/N=C(c3cccs3)OC2=O)cc(Cl)c1OC(C)=O ZINC000002308341 211514738 /nfs/dbraw/zinc/51/47/38/211514738.db2.gz TXVWVSCYHFEGNC-MDWZMJQESA-N 0 0 391.832 4.070 40 0 GIABRN CCN(CC)c1c2c(nc3cc(-c4cc(OC)cc(OC)c4)nn31)CCCC2 ZINC000001341751 211505265 /nfs/dbraw/zinc/50/52/65/211505265.db2.gz RIEBWNUDCSHVIH-UHFFFAOYSA-N 0 0 380.492 4.139 40 0 GIABRN C[C@H]1C[C@H](C)CN(C(=O)C2(NC(=O)Nc3ccc(F)cc3F)CCCCC2)C1 ZINC000001344935 211505165 /nfs/dbraw/zinc/50/51/65/211505165.db2.gz BPXSPJWBFHJQIQ-GJZGRUSLSA-N 0 0 393.478 4.294 40 0 GIABRN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1CC ZINC000000886707 211494574 /nfs/dbraw/zinc/49/45/74/211494574.db2.gz KZXASGQGWQJBJJ-UHFFFAOYSA-N 0 0 396.516 4.272 40 0 GIABRN COC(=O)c1c(C)c(C(=O)Nc2cc(C)ccc2C)sc1NC(=O)C(C)C ZINC000000871548 211492507 /nfs/dbraw/zinc/49/25/07/211492507.db2.gz SDRGMQMFGJLZGF-UHFFFAOYSA-N 0 0 388.489 4.307 40 0 GIABRN CC1CCN(C(=O)CSc2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000000801390 211490040 /nfs/dbraw/zinc/49/00/40/211490040.db2.gz QEBSTKDEEACQTN-UHFFFAOYSA-N 0 0 379.529 4.435 40 0 GIABRN Cc1cccc(N2C(=O)[C@@H]3[C@H](c4cccs4)N(c4ccccc4)O[C@@H]3C2=O)c1 ZINC000100626360 211388682 /nfs/dbraw/zinc/38/86/82/211388682.db2.gz LDVDUVVKRUVWQU-AABGKKOBSA-N 0 0 390.464 4.108 40 0 GIABRN CC(=O)N1CCCC2(CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)C1 ZINC000096268236 211328341 /nfs/dbraw/zinc/32/83/41/211328341.db2.gz CEVGRGQBQOAYHX-UHFFFAOYSA-N 0 0 392.499 4.344 40 0 GIABRN COc1cccc(-c2ccc3c([C@H]4CCCN4Cc4nccs4)nnn3c2)c1 ZINC000096267925 211327617 /nfs/dbraw/zinc/32/76/17/211327617.db2.gz AWJHIEYMCCAAQR-GOSISDBHSA-N 0 0 391.500 4.199 40 0 GIABRN Cc1nc(-c2ccc(F)cc2)nc2c1CCN(C(=O)CCc1ccccc1)CC2 ZINC000096254745 211324437 /nfs/dbraw/zinc/32/44/37/211324437.db2.gz OOPHWHHRXLUBCP-UHFFFAOYSA-N 0 0 389.474 4.151 40 0 GIABRN O=C(c1ccoc1)N1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1 ZINC000096038205 211296213 /nfs/dbraw/zinc/29/62/13/211296213.db2.gz PSVKYXXAYPUPMK-UHFFFAOYSA-N 0 0 390.418 4.148 40 0 GIABRN CC(C)n1c2cc(C(=O)Nc3cccnc3)n(C(=O)N(C)C)c2c2ccccc21 ZINC000096037367 211295854 /nfs/dbraw/zinc/29/58/54/211295854.db2.gz ATETZIGHXCOUEV-UHFFFAOYSA-N 0 0 389.459 4.354 40 0 GIABRN CC(C)Oc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2N(C(=O)OC(C)(C)C)C3)cc1 ZINC000091297401 211189892 /nfs/dbraw/zinc/18/98/92/211189892.db2.gz WGOGDSHYCAZMMX-MNEFBYGVSA-N 0 0 388.508 4.448 40 0 GIABRN COc1cc(C=O)ccc1OCc1nc(-c2ccccc2C(F)(F)F)no1 ZINC000089262993 211180500 /nfs/dbraw/zinc/18/05/00/211180500.db2.gz MNXYDJLIYBPJIP-UHFFFAOYSA-N 0 0 378.306 4.156 40 0 GIABRN CC[C@@H]1[C@H](c2cccc(OC)c2O)c2cc3c(cc2O[C@@H]1N1CCCC1)OCO3 ZINC000073316018 211126343 /nfs/dbraw/zinc/12/63/43/211126343.db2.gz UWMPNVWZHCIJMI-NZCIYTFRSA-N 0 0 397.471 4.102 40 0 GIABRN CN1CCCC[C@@H](C2CCN(C(=O)c3ccccc3-c3ccccc3)CC2)C1=O ZINC000072372040 211103183 /nfs/dbraw/zinc/10/31/83/211103183.db2.gz YNIRSMVPKFBYSR-QFIPXVFZSA-N 0 0 390.527 4.464 40 0 GIABRN CC(=O)N1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)N1CCCC1 ZINC000072370813 211101953 /nfs/dbraw/zinc/10/19/53/211101953.db2.gz BZGNSOYLYYYLHQ-QGZVFWFLSA-N 0 0 384.545 4.471 40 0 GIABRN Cc1ccc(Oc2cc(C)nc([C@H]3CCCCN3C(=O)C3CCOCC3)n2)cc1 ZINC000072384292 211108595 /nfs/dbraw/zinc/10/85/95/211108595.db2.gz LQWYDNBCIUWMOV-HXUWFJFHSA-N 0 0 395.503 4.366 40 0 GIABRN Cc1cc(Oc2ccccc2F)nc([C@@H]2CCCCN2C(=O)C2CCOCC2)n1 ZINC000072384277 211108152 /nfs/dbraw/zinc/10/81/52/211108152.db2.gz VDDLEPJLWCRVDE-SFHVURJKSA-N 0 0 399.466 4.197 40 0 GIABRN Cc1cc(Cc2ccccc2)cc([C@H]2CCN(S(=O)(=O)c3ccccc3)C2)n1 ZINC000072374742 211104725 /nfs/dbraw/zinc/10/47/25/211104725.db2.gz YMRVMMSPHUAGFJ-NRFANRHFSA-N 0 0 392.524 4.159 40 0 GIABRN CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 ZINC000072378894 211104712 /nfs/dbraw/zinc/10/47/12/211104712.db2.gz VIFSFAWIKALYMJ-OAQYLSRUSA-N 0 0 399.498 4.217 40 0 GIABRN CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCC[C@H](OC)C1)c1nc2cccnc2n1C(C)C ZINC000072342224 211093999 /nfs/dbraw/zinc/09/39/99/211093999.db2.gz WTPIMVBSPBFFDA-VXNCWWDNSA-N 0 0 386.540 4.421 40 0 GIABRN COc1ccc(CNc2c(-c3cccc(OC)c3OC)nc3cnccn32)cc1 ZINC000072341918 211093769 /nfs/dbraw/zinc/09/37/69/211093769.db2.gz ZZNFUMPQBONXHE-UHFFFAOYSA-N 0 0 390.443 4.034 40 0 GIABRN COc1ccccc1[C@H](C)Nc1c(C)c(C)nc2cc(C3CCOCC3)nn21 ZINC000072337430 211093070 /nfs/dbraw/zinc/09/30/70/211093070.db2.gz QRBDBEFGHPWGLH-INIZCTEOSA-N 0 0 380.492 4.422 40 0 GIABRN Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CCN(C(=O)C4CC4)CC3)c12 ZINC000072336009 211093079 /nfs/dbraw/zinc/09/30/79/211093079.db2.gz JNGQUWKSSQSSTR-UHFFFAOYSA-N 0 0 396.535 4.333 40 0 GIABRN Cc1cnc(Nc2cc([C@H]3CCCN3C(=O)c3ccccc3)nc(C)n2)s1 ZINC000072359905 211101300 /nfs/dbraw/zinc/10/13/00/211101300.db2.gz MIGFIADKFAXNAA-QGZVFWFLSA-N 0 0 379.489 4.271 40 0 GIABRN O=C(c1ccncc1)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 ZINC000072359513 211100554 /nfs/dbraw/zinc/10/05/54/211100554.db2.gz PFCIDHWEHRLLHW-UHFFFAOYSA-N 0 0 378.863 4.212 40 0 GIABRN O=C(Cc1cccnc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072357905 211099428 /nfs/dbraw/zinc/09/94/28/211099428.db2.gz NFARRTGBZYAGHJ-JOCHJYFZSA-N 0 0 375.447 4.113 40 0 GIABRN O=C(Cc1cccnc1)N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072357909 211098554 /nfs/dbraw/zinc/09/85/54/211098554.db2.gz DRQGVRMGNYHNQM-JOCHJYFZSA-N 0 0 375.447 4.113 40 0 GIABRN Cn1nccc1C(=O)N1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072350048 211097668 /nfs/dbraw/zinc/09/76/68/211097668.db2.gz ZIUYHUNAHCRIOJ-QGZVFWFLSA-N 0 0 394.906 4.079 40 0 GIABRN O=C(Cc1ccccn1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072349487 211097690 /nfs/dbraw/zinc/09/76/90/211097690.db2.gz FWDYAKVFMOFGOG-LJQANCHMSA-N 0 0 389.474 4.155 40 0 GIABRN O=C(c1cc[nH]n1)N1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072349820 211097706 /nfs/dbraw/zinc/09/77/06/211097706.db2.gz BNWQCJVCLKYYNA-INIZCTEOSA-N 0 0 380.879 4.069 40 0 GIABRN O=C(Cc1ccccn1)N1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072349463 211097362 /nfs/dbraw/zinc/09/73/62/211097362.db2.gz GTWJQMJJXQBGDO-KRWDZBQOSA-N 0 0 375.447 4.231 40 0 GIABRN Cn1ccnc1C(=O)N1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072350241 211097150 /nfs/dbraw/zinc/09/71/50/211097150.db2.gz DMGBGTLRSPDTQH-KRWDZBQOSA-N 0 0 394.906 4.079 40 0 GIABRN COCC(=O)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072349255 211097206 /nfs/dbraw/zinc/09/72/06/211097206.db2.gz MFGBSMQJAMEUNQ-OAHLLOKOSA-N 0 0 378.394 4.120 40 0 GIABRN Cn1ccnc1CN1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072350022 211096685 /nfs/dbraw/zinc/09/66/85/211096685.db2.gz BEEUTTMMFYDFTI-SFHVURJKSA-N 0 0 380.923 4.439 40 0 GIABRN Cn1ccnc1C(=O)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072350235 211096710 /nfs/dbraw/zinc/09/67/10/211096710.db2.gz KJNMSDLPSQPTQU-MRXNPFEDSA-N 0 0 380.879 4.155 40 0 GIABRN O=C(Cc1cccnc1)N1CCC(c2cccc(Cc3ccccc3F)n2)CC1 ZINC000072349395 211096231 /nfs/dbraw/zinc/09/62/31/211096231.db2.gz GUHIRTGWHPYFRU-UHFFFAOYSA-N 0 0 389.474 4.155 40 0 GIABRN Clc1ccc(Cn2nc(Br)nc2Br)cc1Cl ZINC000067799207 211021759 /nfs/dbraw/zinc/02/17/59/211021759.db2.gz JRMIDPCHSODLAE-UHFFFAOYSA-N 0 0 385.874 4.158 40 0 GIABRN COc1cc(-c2nc3ccccc3s2)cc2c1OCN(C[C@H]1CCCO1)C2 ZINC000054072995 210877727 /nfs/dbraw/zinc/87/77/27/210877727.db2.gz UMDVNMUTRNUPGC-MRXNPFEDSA-N 0 0 382.485 4.303 40 0 GIABRN Cc1nc(-c2ccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)s2)cs1 ZINC000054362811 210877542 /nfs/dbraw/zinc/87/75/42/210877542.db2.gz MCHMCAHISDEIMX-NSHDSACASA-N 0 0 376.528 4.320 40 0 GIABRN CCC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000044843793 210813484 /nfs/dbraw/zinc/81/34/84/210813484.db2.gz CFNMXSYRZFICTG-CQSZACIVSA-N 0 0 394.924 4.368 40 0 GIABRN FC(F)(F)c1cccc(NC(=S)NCc2nc(-c3ccccc3)no2)c1 ZINC000044103782 210810407 /nfs/dbraw/zinc/81/04/07/210810407.db2.gz VDZBGWKBMMURRO-UHFFFAOYSA-N 0 0 378.379 4.242 40 0 GIABRN COc1ccc(OC)c(N(Cc2ccccc2C)S(=O)(=O)c2ccccc2)c1 ZINC000408624303 532965814 /nfs/dbraw/zinc/96/58/14/532965814.db2.gz GOXHQUCKIPKGLN-UHFFFAOYSA-N 0 0 397.496 4.408 40 0 GIABRN COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Cl)cc1 ZINC000409182594 533019063 /nfs/dbraw/zinc/01/90/63/533019063.db2.gz NCMSTBZZATXAQD-UHFFFAOYSA-N 0 0 396.226 4.000 40 0 GIABRN COc1ccccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1ccccc1 ZINC000028527811 210528024 /nfs/dbraw/zinc/52/80/24/210528024.db2.gz MZKZYOUGZVIGDL-UHFFFAOYSA-N 0 0 391.475 4.252 40 0 GIABRN Cc1cc(C)c([C@@H](C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C ZINC000022540696 210416756 /nfs/dbraw/zinc/41/67/56/210416756.db2.gz LPUHXPYUCFZVDT-CQSZACIVSA-N 0 0 378.394 4.447 40 0 GIABRN CCOc1ccc(CNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1OCC ZINC000022515291 210413803 /nfs/dbraw/zinc/41/38/03/210413803.db2.gz RTQKDXTVGRTAAI-CQSZACIVSA-N 0 0 377.868 4.221 40 0 GIABRN COc1ccc(CCNC(=O)c2sc(Nc3ccc(F)cc3)nc2C)cc1 ZINC000022245714 210408656 /nfs/dbraw/zinc/40/86/56/210408656.db2.gz DJFDFOZBNBZJHB-UHFFFAOYSA-N 0 0 385.464 4.315 40 0 GIABRN O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CCN(Cc1ccccc1)C2 ZINC000021658483 210388010 /nfs/dbraw/zinc/38/80/10/210388010.db2.gz HYRUGZFISXOFHE-UHFFFAOYSA-N 0 0 385.389 4.014 40 0 GIABRN Cn1c(-c2nnc(SCC(=O)Nc3ccccc3F)o2)cc2ccccc21 ZINC000021525238 210384370 /nfs/dbraw/zinc/38/43/70/210384370.db2.gz XUYQVEQDZWRMES-UHFFFAOYSA-N 0 0 382.420 4.098 40 0 GIABRN Cc1ccc(NC(=O)C[C@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)nc1 ZINC000021530330 210384478 /nfs/dbraw/zinc/38/44/78/210384478.db2.gz JKVQLZJBJRUQME-HXUWFJFHSA-N 0 0 389.430 4.255 40 0 GIABRN S=c1[nH]c2c(cnn2-c2ccccc2)c2nc(-c3ccc(Cl)cc3)nn21 ZINC000020799499 210362589 /nfs/dbraw/zinc/36/25/89/210362589.db2.gz QTTZOHGFHWNPMD-UHFFFAOYSA-N 0 0 378.848 4.072 40 0 GIABRN CCc1nnc2sc(-c3cccc(NC(=O)CSc4ccccc4)c3)nn12 ZINC000020609606 210352539 /nfs/dbraw/zinc/35/25/39/210352539.db2.gz XHXJMBMOVSTSJT-UHFFFAOYSA-N 0 0 395.513 4.146 40 0 GIABRN CCCc1nnc2sc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)nn12 ZINC000020609732 210351963 /nfs/dbraw/zinc/35/19/63/210351963.db2.gz LOOLVHJQLICFLQ-UHFFFAOYSA-N 0 0 381.436 4.197 40 0 GIABRN CC[C@H](NC(=O)CSc1ccc(OC)c(OC)c1)c1ccc(OC)cc1 ZINC000020485763 210340093 /nfs/dbraw/zinc/34/00/93/210340093.db2.gz RUPZGDPHUKYOLV-KRWDZBQOSA-N 0 0 375.490 4.072 40 0 GIABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000020482435 210339217 /nfs/dbraw/zinc/33/92/17/210339217.db2.gz GMDWPLWMKLZNHT-JOCHJYFZSA-N 0 0 385.467 4.499 40 0 GIABRN Cc1ccc(OCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000020487186 210339224 /nfs/dbraw/zinc/33/92/24/210339224.db2.gz UISYJHMXZPZTLD-UHFFFAOYSA-N 0 0 383.469 4.145 40 0 GIABRN Cc1ccc(OCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000020454684 210335908 /nfs/dbraw/zinc/33/59/08/210335908.db2.gz HWQSXUAPLIXQLK-UHFFFAOYSA-N 0 0 386.495 4.367 40 0 GIABRN COc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 ZINC000020453597 210335783 /nfs/dbraw/zinc/33/57/83/210335783.db2.gz DMVQCWXJKCDADD-QGZVFWFLSA-N 0 0 396.487 4.117 40 0 GIABRN CCS(=O)(=O)N1c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2C[C@@H]1C ZINC000020449063 210335369 /nfs/dbraw/zinc/33/53/69/210335369.db2.gz UPRUKSJRCMTTTB-ZDUSSCGKSA-N 0 0 392.908 4.001 40 0 GIABRN CCOc1ccc(NC(=O)CSc2nnc(Cc3ccc(CC)cc3)o2)cc1 ZINC000020197164 210321601 /nfs/dbraw/zinc/32/16/01/210321601.db2.gz FOKOAMJQTAYXAY-UHFFFAOYSA-N 0 0 397.500 4.352 40 0 GIABRN COc1cc(NC(=O)COc2ccc(Cl)cc2)ccc1-c1ccc(CO)o1 ZINC000020144174 210320062 /nfs/dbraw/zinc/32/00/62/210320062.db2.gz XUDVFRJIBHUDIN-UHFFFAOYSA-N 0 0 387.819 4.118 40 0 GIABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1cc(C)cc(C)c1 ZINC000020144087 210319869 /nfs/dbraw/zinc/31/98/69/210319869.db2.gz RUHFSXOXCLUVBY-UHFFFAOYSA-N 0 0 381.428 4.082 40 0 GIABRN COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)c1 ZINC000020143313 210319774 /nfs/dbraw/zinc/31/97/74/210319774.db2.gz GAEJNGRQLPYSKG-UHFFFAOYSA-N 0 0 387.819 4.362 40 0 GIABRN Cc1cc(NC(=S)NC(=O)c2ccc(F)cc2)ccc1-c1ccc(CO)o1 ZINC000020151906 210319414 /nfs/dbraw/zinc/31/94/14/210319414.db2.gz XOSVWUDAGKGOGE-UHFFFAOYSA-N 0 0 384.432 4.013 40 0 GIABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(Br)o1 ZINC000020139781 210317926 /nfs/dbraw/zinc/31/79/26/210317926.db2.gz MUJCXBBFNDSJBP-UHFFFAOYSA-N 0 0 376.206 4.355 40 0 GIABRN CCc1cccc(CC)c1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl ZINC000020112409 210317955 /nfs/dbraw/zinc/31/79/55/210317955.db2.gz SJTIBZQYFKNJHP-UHFFFAOYSA-N 0 0 380.897 4.089 40 0 GIABRN COc1ccc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1Cl ZINC000020105118 210316127 /nfs/dbraw/zinc/31/61/27/210316127.db2.gz IEOGXUNSMITNFK-NSHDSACASA-N 0 0 381.881 4.485 40 0 GIABRN COc1cc(CNC(=O)CSCc2ccc(F)cc2)ccc1OC(C)C ZINC000020104488 210316208 /nfs/dbraw/zinc/31/62/08/210316208.db2.gz CNEALVOZPDEZTC-UHFFFAOYSA-N 0 0 377.481 4.171 40 0 GIABRN CCCCc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 ZINC000020040381 210312150 /nfs/dbraw/zinc/31/21/50/210312150.db2.gz HKVZRVQQGBDBDL-UHFFFAOYSA-N 0 0 380.897 4.306 40 0 GIABRN Cc1nccn1-c1ccc(CNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 ZINC000019933972 210309390 /nfs/dbraw/zinc/30/93/90/210309390.db2.gz FIYKJCONABDLND-KRWDZBQOSA-N 0 0 377.488 4.388 40 0 GIABRN CC(=O)c1cccc(NC(=O)CSc2n[nH]c(-c3ccccc3Cl)n2)c1 ZINC000019928136 210308923 /nfs/dbraw/zinc/30/89/23/210308923.db2.gz PNWSQURBSNZCPT-UHFFFAOYSA-N 0 0 386.864 4.059 40 0 GIABRN O=C(CC1CCN(C(=O)Cc2ccccc2)CC1)N1CCC2(C1)CCCCC2 ZINC000019748164 210291897 /nfs/dbraw/zinc/29/18/97/210291897.db2.gz IEENKFAIJAJTHV-UHFFFAOYSA-N 0 0 382.548 4.041 40 0 GIABRN CC(C)Nc1n[nH]c2nc([C@@H]3CCCN(C(=O)C(C)C)C3)cc(C(F)(F)F)c12 ZINC000019742326 210291585 /nfs/dbraw/zinc/29/15/85/210291585.db2.gz PELVACKXEUICNS-GFCCVEGCSA-N 0 0 397.445 4.159 40 0 GIABRN CC(C)(C(=O)NCc1cc(Cl)c2c(c1)OCCCO2)c1cccc(F)c1 ZINC000019718512 210288645 /nfs/dbraw/zinc/28/86/45/210288645.db2.gz CKZBOIAOMXXFJH-UHFFFAOYSA-N 0 0 377.843 4.234 40 0 GIABRN Cc1nc(-c2ccccc2F)sc1C(=O)NCc1nnc(-c2ccccc2)o1 ZINC000019714484 210286836 /nfs/dbraw/zinc/28/68/36/210286836.db2.gz ARTHJHDHQMZCJJ-UHFFFAOYSA-N 0 0 394.431 4.238 40 0 GIABRN Cc1cc(Cc2cccc(F)c2)cc(C2CCN(C(=O)C[C@@H]3CCCO3)CC2)n1 ZINC000019691869 210281434 /nfs/dbraw/zinc/28/14/34/210281434.db2.gz QUPQTPVFCDRUQG-QFIPXVFZSA-N 0 0 396.506 4.395 40 0 GIABRN O=C(Nc1nc(-c2ccccn2)cs1)c1cc(COc2ccc(F)cc2)on1 ZINC000019663137 210280212 /nfs/dbraw/zinc/28/02/12/210280212.db2.gz KGOJZFVDFDFZJN-UHFFFAOYSA-N 0 0 396.403 4.164 40 0 GIABRN Cc1cc2ncn(CCC(=O)N(C)Cc3ccc4c(c3)C[C@@H](C)O4)c2cc1C ZINC000019661138 210280268 /nfs/dbraw/zinc/28/02/68/210280268.db2.gz SMWXLNVZHCOFIV-QGZVFWFLSA-N 0 0 377.488 4.025 40 0 GIABRN COc1ccc(-c2cc(C(=O)Nc3nc(-c4ccccn4)cs3)on2)cc1 ZINC000019660510 210280132 /nfs/dbraw/zinc/28/01/32/210280132.db2.gz YSHDGEDSJVRZDT-UHFFFAOYSA-N 0 0 378.413 4.121 40 0 GIABRN CC[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n(C)n1)c1c(C)nn(CC)c1C ZINC000019660506 210279926 /nfs/dbraw/zinc/27/99/26/210279926.db2.gz WMHIYRGATLCTEH-QGZVFWFLSA-N 0 0 399.926 4.455 40 0 GIABRN Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3nc(-c4cccc(C)c4)no3)[nH]n2)cc1 ZINC000019666504 210279140 /nfs/dbraw/zinc/27/91/40/210279140.db2.gz YJMSRMPJRSEWLM-HNNXBMFYSA-N 0 0 387.443 4.235 40 0 GIABRN Cc1cccc(C2(C(=O)NCCc3ccc(C(F)(F)F)cc3)CCOCC2)c1 ZINC000019662254 210278929 /nfs/dbraw/zinc/27/89/29/210278929.db2.gz XPERJCYUYOMGIZ-UHFFFAOYSA-N 0 0 391.433 4.421 40 0 GIABRN CC(=O)N[C@@H](CC(=O)Nc1ccc2[nH]c(C(C)(C)C)nc2c1)c1ccc(F)cc1 ZINC000019656300 210278371 /nfs/dbraw/zinc/27/83/71/210278371.db2.gz SGOKXPHBKMOMEX-SFHVURJKSA-N 0 0 396.466 4.206 40 0 GIABRN O=C(CCCc1nc(-c2ccc(F)cc2)no1)N1CC[C@@H](c2ccccc2)C1 ZINC000019656480 210278182 /nfs/dbraw/zinc/27/81/82/210278182.db2.gz MTBLEKZQZBPPES-GOSISDBHSA-N 0 0 379.435 4.215 40 0 GIABRN CCn1cnc2cc(NC(=O)CCc3nc(-c4ccccc4Cl)no3)ccc21 ZINC000019578258 210269951 /nfs/dbraw/zinc/26/99/51/210269951.db2.gz USPMNAWILXCERC-UHFFFAOYSA-N 0 0 395.850 4.331 40 0 GIABRN Cc1nn(CCC(=O)NCCc2nc(-c3ccccc3)cs2)c(C)c1Cl ZINC000019578248 210269657 /nfs/dbraw/zinc/26/96/57/210269657.db2.gz BXMDCXMHLXCNJU-UHFFFAOYSA-N 0 0 388.924 4.026 40 0 GIABRN COc1ccc2oc(C)c(C(=O)N[C@@H](c3nccn3C)c3ccc(F)cc3)c2c1 ZINC000019581590 210269435 /nfs/dbraw/zinc/26/94/35/210269435.db2.gz SXNDNJCGNOXAKP-HXUWFJFHSA-N 0 0 393.418 4.142 40 0 GIABRN CN1CCN(C(=O)C2CCCC2)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O ZINC000019589467 210273226 /nfs/dbraw/zinc/27/32/26/210273226.db2.gz AGKJAOMRQCTKHI-HXUWFJFHSA-N 0 0 396.556 4.065 40 0 GIABRN COc1ccc(-c2nnc(SC(=O)c3ccccc3Cl)o2)c(OC)c1 ZINC000408656329 533202057 /nfs/dbraw/zinc/20/20/57/533202057.db2.gz HPGMLRCGJMTMLR-UHFFFAOYSA-N 0 0 376.821 4.340 40 0 GIABRN COc1ccc(-n2c(C)nnc2SCCOc2ccccc2Cl)cc1 ZINC000409097958 533209547 /nfs/dbraw/zinc/20/95/47/533209547.db2.gz JRJOVXJKHXBCQP-UHFFFAOYSA-N 0 0 375.881 4.409 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)c1 ZINC000008291888 221034897 /nfs/dbraw/zinc/03/48/97/221034897.db2.gz MOAMGONUASKDKG-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)on1 ZINC000012118478 221153103 /nfs/dbraw/zinc/15/31/03/221153103.db2.gz FAMZLAZCBIVNGK-HNNXBMFYSA-N 0 0 395.438 4.299 40 0 GIABRN COc1ccc(CCC(=O)N[C@H]2CCCc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000012183172 221163163 /nfs/dbraw/zinc/16/31/63/221163163.db2.gz DHCDELWCKAGGOC-NRFANRHFSA-N 0 0 393.462 4.146 40 0 GIABRN COc1cccc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)c1O ZINC000408809007 533387801 /nfs/dbraw/zinc/38/78/01/533387801.db2.gz GRCKZUDWMYMBPA-UHFFFAOYSA-N 0 0 375.857 4.126 40 0 GIABRN COc1cccc(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1 ZINC000408713979 533394218 /nfs/dbraw/zinc/39/42/18/533394218.db2.gz FKCVQQOTFZMASE-UHFFFAOYSA-N 0 0 379.460 4.315 40 0 GIABRN Cc1ccc(C(=O)Nc2cccc3ccccc32)cc1S(=O)(=O)N1CCCC1 ZINC000013583046 533615113 /nfs/dbraw/zinc/61/51/13/533615113.db2.gz PNVRYBQQNFMBMX-UHFFFAOYSA-N 0 0 394.496 4.185 40 0 GIABRN O[C@@H](c1cccnc1)c1ccccc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000072340656 136168629 /nfs/dbraw/zinc/16/86/29/136168629.db2.gz IZQYGHWCGGMLHZ-QHCPKHFHSA-N 0 0 393.918 4.139 40 0 GIABRN Cc1nc([C@H]2CCCN2C(=O)C(C)C)nc2c1CCCN2Cc1ccc(F)cc1 ZINC000072373799 136169296 /nfs/dbraw/zinc/16/92/96/136169296.db2.gz BEQGHKPUBUCYFV-HXUWFJFHSA-N 0 0 396.510 4.196 40 0 GIABRN COc1cc2c(cc1OC)CN(c1ccnc(Nc3cccc(Cl)c3)n1)CC2 ZINC000244038254 136192564 /nfs/dbraw/zinc/19/25/64/136192564.db2.gz SXBDWQPNIOFDND-UHFFFAOYSA-N 0 0 396.878 4.454 40 0 GIABRN Fc1ccccc1N1CCN(c2ncnc3c(-c4ccccc4)nsc32)CC1 ZINC000001370717 136193301 /nfs/dbraw/zinc/19/33/01/136193301.db2.gz MGJWYPNBILKVAZ-UHFFFAOYSA-N 0 0 391.475 4.219 40 0 GIABRN Cc1ccc(CN2C(=O)COc3cc(NC(=O)c4cccc(C)c4)ccc32)cc1 ZINC000005000954 136194388 /nfs/dbraw/zinc/19/43/88/136194388.db2.gz DLSADKIJYUQJRP-UHFFFAOYSA-N 0 0 386.451 4.481 40 0 GIABRN CCCC(=O)N1c2ccccc2[C@H](N(c2ccccc2)S(C)(=O)=O)C[C@H]1C ZINC000010153305 136197319 /nfs/dbraw/zinc/19/73/19/136197319.db2.gz MMUMPUHFERDLDN-OXQOHEQNSA-N 0 0 386.517 4.119 40 0 GIABRN Nc1cc(Cl)c(N2CCN(c3ccc(F)cc3)CC2)c(Br)c1 ZINC000216881959 136203111 /nfs/dbraw/zinc/20/31/11/136203111.db2.gz BPVIGDUSTSXVRK-UHFFFAOYSA-N 0 0 384.680 4.150 40 0 GIABRN CCc1cccc(C)c1NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 ZINC000222568423 136204793 /nfs/dbraw/zinc/20/47/93/136204793.db2.gz APVAXYGCZYKQNE-UHFFFAOYSA-N 0 0 386.517 4.048 40 0 GIABRN Cc1cc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)ccc1Cl ZINC000028189000 221668874 /nfs/dbraw/zinc/66/88/74/221668874.db2.gz CEKHRCJXGYKTIM-LBPRGKRZSA-N 0 0 391.880 4.186 40 0 GIABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cccnc3)ccc2C)c1 ZINC000409410893 533684704 /nfs/dbraw/zinc/68/47/04/533684704.db2.gz RYTBYMAZEMIUNS-UHFFFAOYSA-N 0 0 395.484 4.060 40 0 GIABRN Cc1ccc(C)c(NC(=O)c2cccc(N3C(=O)[C@@H]4CC=C(C)C[C@@H]4C3=O)c2)c1 ZINC000408684323 533686391 /nfs/dbraw/zinc/68/63/91/533686391.db2.gz OVLSFNLUPFXUTB-UXHICEINSA-N 0 0 388.467 4.401 40 0 GIABRN COc1ccc(CSCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000408563792 533729686 /nfs/dbraw/zinc/72/96/86/533729686.db2.gz PZMIJQDWPSVCTD-UHFFFAOYSA-N 0 0 381.881 4.238 40 0 GIABRN Cc1ccc(CN2C(=O)S/C(=C\c3coc4ccccc4c3=O)C2=O)cc1 ZINC000106706973 533914117 /nfs/dbraw/zinc/91/41/17/533914117.db2.gz LVUFDUSKHCNPCR-ZDLGFXPLSA-N 0 0 377.421 4.338 40 0 GIABRN COc1ccccc1CNC(=O)C(=O)c1c(-c2ccc(C)cc2)cc2ccccn21 ZINC000408677793 534083190 /nfs/dbraw/zinc/08/31/90/534083190.db2.gz RPNDJFALLUQPGR-UHFFFAOYSA-N 0 0 398.462 4.422 40 0 GIABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)cc1 ZINC000408617354 534187383 /nfs/dbraw/zinc/18/73/83/534187383.db2.gz CQTAKATYCHBFMG-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1C ZINC000223607108 517564333 /nfs/dbraw/zinc/56/43/33/517564333.db2.gz XRRXRDPCEBXPJJ-QFIPXVFZSA-N 0 0 380.532 4.261 40 0 GIABRN O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCCC1=CCCCC1 ZINC000408705023 534343089 /nfs/dbraw/zinc/34/30/89/534343089.db2.gz XFJUEDMOFFEGCY-UHFFFAOYSA-N 0 0 398.528 4.135 40 0 GIABRN O=C(Oc1ccccc1/C=C1/N=C(c2ccco2)OC1=O)c1ccc(Cl)cc1 ZINC000408837875 534570574 /nfs/dbraw/zinc/57/05/74/534570574.db2.gz AIXLYIAMFVDUDC-FOWTUZBSSA-N 0 0 393.782 4.497 40 0 GIABRN O=C(CSc1nnc(COc2ccc3c(c2)CCCC3)o1)Nc1ccccc1 ZINC000109329120 534677474 /nfs/dbraw/zinc/67/74/74/534677474.db2.gz LEMLTNMVMQTWEF-UHFFFAOYSA-N 0 0 395.484 4.258 40 0 GIABRN O=C(NC(=S)Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccco1 ZINC000408627925 534781110 /nfs/dbraw/zinc/78/11/10/534781110.db2.gz OLAIZCTXCIEQPS-UHFFFAOYSA-N 0 0 398.831 4.263 40 0 GIABRN CC(C)CCC1=C[C@](O)(C(F)(F)F)N(C(=O)CSCc2ccccc2)N1 ZINC000409366673 527699296 /nfs/dbraw/zinc/69/92/96/527699296.db2.gz UPEXXRFVNBNZEY-KRWDZBQOSA-N 0 0 388.455 4.195 40 0 GIABRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OC(C)C)c(Cl)c2)C1=O ZINC000409094303 527792880 /nfs/dbraw/zinc/79/28/80/527792880.db2.gz DBRWSEZJAHXUKA-OVCLIPMQSA-N 0 0 397.880 4.115 40 0 GIABRN CCC1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000408708928 527854253 /nfs/dbraw/zinc/85/42/53/527854253.db2.gz VKVLPHVWJBIZQM-BBBYJDLNSA-N 0 0 382.426 4.143 40 0 GIABRN CCCC(=O)NC(=S)Nc1ccc(O)c(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000408624867 527920024 /nfs/dbraw/zinc/92/00/24/527920024.db2.gz CUZGNOMPDIRHAI-UHFFFAOYSA-N 0 0 383.473 4.430 40 0 GIABRN CCCC(=O)NC(=S)Nc1ccc(O)c(-c2nc3cc(CC)ccc3o2)c1 ZINC000408624819 527920285 /nfs/dbraw/zinc/92/02/85/527920285.db2.gz CEKCDCOGAMWGBJ-UHFFFAOYSA-N 0 0 383.473 4.376 40 0 GIABRN CCC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000409411479 528065086 /nfs/dbraw/zinc/06/50/86/528065086.db2.gz XIVYJKPCIFMVIC-KRWDZBQOSA-N 0 0 388.533 4.331 40 0 GIABRN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000408731883 528067375 /nfs/dbraw/zinc/06/73/75/528067375.db2.gz QKDHANATGIDZRC-PJYWLYPCSA-N 0 0 379.459 4.431 40 0 GIABRN CC(C)COC(=O)CN1C(=O)S/C(=C/c2c(Cl)cccc2Cl)C1=O ZINC000409216619 528068792 /nfs/dbraw/zinc/06/87/92/528068792.db2.gz KAMGMCBWKQDUPT-AWNIVKPZSA-N 0 0 388.272 4.229 40 0 GIABRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(OCC(C)C)cc2)NC(=S)N1 ZINC000408605809 528083593 /nfs/dbraw/zinc/08/35/93/528083593.db2.gz GTSWLKNIWOVBIG-HXUWFJFHSA-N 0 0 395.528 4.153 40 0 GIABRN CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000042645900 528152163 /nfs/dbraw/zinc/15/21/63/528152163.db2.gz DRFHNEQLAXOVOJ-UHFFFAOYSA-N 0 0 381.259 4.036 40 0 GIABRN CCCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)NC1=S ZINC000409083852 528162620 /nfs/dbraw/zinc/16/26/20/528162620.db2.gz VWKPRNLDCXQWMS-PDGQHHTCSA-N 0 0 386.904 4.387 40 0 GIABRN CC(C)COc1cccc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000006762319 528167775 /nfs/dbraw/zinc/16/77/75/528167775.db2.gz CPBMKOHDDNNBBB-UHFFFAOYSA-N 0 0 386.561 4.295 40 0 GIABRN CCCN1C(=O)N/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C1=O ZINC000409242302 528175073 /nfs/dbraw/zinc/17/50/73/528175073.db2.gz WSBIHEDZLWXBOI-XDHOZWIPSA-N 0 0 377.419 4.131 40 0 GIABRN CC(C)Oc1cccc(C(=O)Nc2ccc(I)cc2F)c1 ZINC000408623308 528216295 /nfs/dbraw/zinc/21/62/95/528216295.db2.gz SQZPLLBCYCVSJM-UHFFFAOYSA-N 0 0 399.203 4.470 40 0 GIABRN CCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 ZINC000006597443 528236680 /nfs/dbraw/zinc/23/66/80/528236680.db2.gz YISCGNNTLNPQQE-QGZVFWFLSA-N 0 0 396.487 4.256 40 0 GIABRN CCOc1ccc(-c2ccc(OC(=O)c3cc(Cl)ccc3OC)nn2)cc1 ZINC000408530934 528351309 /nfs/dbraw/zinc/35/13/09/528351309.db2.gz KRMNKUYFNPFRRO-UHFFFAOYSA-N 0 0 384.819 4.424 40 0 GIABRN CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000409100735 528359205 /nfs/dbraw/zinc/35/92/05/528359205.db2.gz WHSIKJUXSTXNHN-UHFFFAOYSA-N 0 0 396.516 4.322 40 0 GIABRN CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000409093881 528359217 /nfs/dbraw/zinc/35/92/17/528359217.db2.gz BIJAAYJIDRAWRB-UHFFFAOYSA-N 0 0 396.516 4.322 40 0 GIABRN CCOc1ccc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1OC ZINC000408784280 528370958 /nfs/dbraw/zinc/37/09/58/528370958.db2.gz QBRPDRZXARUEDS-CNSVBDKNSA-N 0 0 384.501 4.256 40 0 GIABRN CCOc1ccc(C(=O)NC(=S)Nc2nc3c(cc(C)cc3C)s2)cc1 ZINC000408628213 528395808 /nfs/dbraw/zinc/39/58/08/528395808.db2.gz QXHVBBGPEWLPAR-UHFFFAOYSA-N 0 0 385.514 4.439 40 0 GIABRN CCOc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1Cl ZINC000408585917 528589503 /nfs/dbraw/zinc/58/95/03/528589503.db2.gz KVONNTGOAGABIX-UHFFFAOYSA-N 0 0 390.686 4.302 40 0 GIABRN CCOc1ccccc1-c1nc(SCC(=O)N(CC)c2ccccc2)n[nH]1 ZINC000408545951 528700175 /nfs/dbraw/zinc/70/01/75/528700175.db2.gz AKLDASLBVXKJJD-UHFFFAOYSA-N 0 0 382.489 4.016 40 0 GIABRN CCCCSC1=N[C@H](c2ccccc2OCC)C(C(=O)OCC)=C(C)N1 ZINC000408985811 528730181 /nfs/dbraw/zinc/73/01/81/528730181.db2.gz BBMYSDIYPSLTGO-GOSISDBHSA-N 0 0 376.522 4.456 40 0 GIABRN CCOC(=O)CN1C(=O)S/C(=C/c2cn([C@@H](C)CC)c3ccccc23)C1=O ZINC000409047119 528807530 /nfs/dbraw/zinc/80/75/30/528807530.db2.gz MTHWCVVLGYZPQV-VZWMTCDZSA-N 0 0 386.473 4.212 40 0 GIABRN CCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)N(C)C1=S ZINC000409032730 528943382 /nfs/dbraw/zinc/94/33/82/528943382.db2.gz MXMBXUADXFFFBU-ATVHPVEESA-N 0 0 386.904 4.339 40 0 GIABRN CCN1C(=O)N/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000409235039 528953638 /nfs/dbraw/zinc/95/36/38/528953638.db2.gz YLNPKQYCQJWGGH-CXUHLZMHSA-N 0 0 391.254 4.485 40 0 GIABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2CC)ccc1OCC ZINC000408588035 529107208 /nfs/dbraw/zinc/10/72/08/529107208.db2.gz WJRXMNUWWFDAJS-UHFFFAOYSA-N 0 0 392.477 4.017 40 0 GIABRN CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1C ZINC000409352081 529111203 /nfs/dbraw/zinc/11/12/03/529111203.db2.gz WBDRQMASHQZWKZ-SFHVURJKSA-N 0 0 398.507 4.374 40 0 GIABRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(C)C)C1=O ZINC000408600969 529183332 /nfs/dbraw/zinc/18/33/32/529183332.db2.gz HXPHUKIEKHAHTB-FBJMNJBLSA-N 0 0 391.489 4.099 40 0 GIABRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccccc2I)C1=O ZINC000408551604 529349790 /nfs/dbraw/zinc/34/97/90/529349790.db2.gz OLTULLZWEHIFJK-YXYQAXARSA-N 0 0 387.242 4.126 40 0 GIABRN CCC1(CC)C[C@@H](NC(=O)c2ccc(N3CCOCC3)cc2)c2ccccc2O1 ZINC000224079753 535266130 /nfs/dbraw/zinc/26/61/30/535266130.db2.gz WYHNOKIUHPZKOA-OAQYLSRUSA-N 0 0 394.515 4.336 40 0 GIABRN CCO[C@H]1c2c3c(ccc2-c2ccc4cc5c(cc4c2N1C)OCO5)OCO3 ZINC000013480266 535650753 /nfs/dbraw/zinc/65/07/53/535650753.db2.gz FCEXWTOTHXCQCQ-QFIPXVFZSA-N 0 0 377.396 4.449 40 0 biogenic,in-vitro GIABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCN1CCCc2ccccc21 ZINC000219618002 536045096 /nfs/dbraw/zinc/04/50/96/536045096.db2.gz YIIGAOGDODJITF-NRFANRHFSA-N 0 0 386.923 4.457 40 0 GIABRN Cn1cc(CN2CCOC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)c2ccccc21 ZINC000096112668 560060629 /nfs/dbraw/zinc/06/06/29/560060629.db2.gz NVHLEWBOHQNRLS-QFIPXVFZSA-N 0 0 390.462 4.281 40 0 biogenic,in-vitro GIABRN CC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)NCc1ccccc1 ZINC000005414287 560201805 /nfs/dbraw/zinc/20/18/05/560201805.db2.gz MZRJUGVBHCPVQW-ICSRJNTNSA-N 0 0 382.479 4.021 40 0 biogenic,in-vitro GIABRN CC[C@H]1CN(C(=O)Nc2ccccc2)CC[C@H]1CC(=O)NCc1ccc(F)cc1 ZINC000008300806 560208866 /nfs/dbraw/zinc/20/88/66/560208866.db2.gz JNVDSXVHTIIELK-OALUTQOASA-N 0 0 397.494 4.412 40 0 biogenic,in-vitro GIABRN CCNC(=O)N[C@@H]1C=C[C@@H](c2c(C)nn(-c3ccc(C(F)(F)F)cc3)c2C)C1 ZINC000008643291 560210701 /nfs/dbraw/zinc/21/07/01/560210701.db2.gz KROVTQCCNQAEFB-GDBMZVCRSA-N 0 0 392.425 4.239 40 0 biogenic,in-vitro GIABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Cl)cc2)cc(-c2ccncc2)n1 ZINC000329000133 570211533 /nfs/dbraw/zinc/21/15/33/570211533.db2.gz KAEVIVGMPVTSFL-GOSISDBHSA-N 0 0 383.883 4.364 40 0 GIABRN Fc1cc(Br)ccc1Nc1cc(C2CC2)nc(NC2CCCC2)n1 ZINC000329018854 570213106 /nfs/dbraw/zinc/21/31/06/570213106.db2.gz NSZUGGBOCIRWKF-UHFFFAOYSA-N 0 0 391.288 4.198 40 0 GIABRN CC(C)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2ccccn2)n1 ZINC000329053269 570215252 /nfs/dbraw/zinc/21/52/52/570215252.db2.gz VFHOXDQYXUJKTD-UHFFFAOYSA-N 0 0 391.372 4.104 40 0 GIABRN CCNc1nc(Nc2ccc(F)cc2Br)cc(-c2ccccc2)n1 ZINC000329052601 570215323 /nfs/dbraw/zinc/21/53/23/570215323.db2.gz VCTCLSOLAQWKQO-UHFFFAOYSA-N 0 0 387.256 4.064 40 0 GIABRN Cc1ccc(Nc2cc(-c3cccnc3)nc(NC3CC3)n2)cc1C(F)(F)F ZINC000329068333 570216347 /nfs/dbraw/zinc/21/63/47/570216347.db2.gz YPQVOVPOHGCKCV-UHFFFAOYSA-N 0 0 385.393 4.028 40 0 GIABRN Cc1nc([C@@H]2CCCCN2Cc2cccnc2)ncc1C(=O)Nc1ccccc1 ZINC000019766274 570217809 /nfs/dbraw/zinc/21/78/09/570217809.db2.gz ZZFOIBNOCPOQBM-NRFANRHFSA-N 0 0 387.487 4.160 40 0 GIABRN CCN(CC)c1ccc2cc(C(=O)Nc3cc(C)ccc3OC)c(=O)oc2c1 ZINC000000778545 570222385 /nfs/dbraw/zinc/22/23/85/570222385.db2.gz DTZCQQKOXDMTGX-UHFFFAOYSA-N 0 0 380.444 4.209 40 0 GIABRN CC1(C)Oc2ccccc2[C@H]2O[C@H]3CC[N@H+](Cc4ccc(C(=O)[O-])cc4)[C@@H]3C[C@@H]21 ZINC000585262344 570229940 /nfs/dbraw/zinc/22/99/40/570229940.db2.gz QEDKHBLWNYTBFC-YUVXSKOASA-N 0 0 393.483 4.277 40 0 GIABRN Fc1ccc(C=C2CCCC3C2=Nc2nnnn2[C@@H]3c2ccc(F)cc2)cc1 ZINC000006241359 570233275 /nfs/dbraw/zinc/23/32/75/570233275.db2.gz NUQYSDFJBOPEQT-IZLCOFNUSA-N 0 0 377.398 4.488 40 0 GIABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccc(OC(C)C)c1 ZINC000020141621 570242639 /nfs/dbraw/zinc/24/26/39/570242639.db2.gz RUEJHZYGCBWGCO-UHFFFAOYSA-N 0 0 381.428 4.487 40 0 GIABRN O=C(/C=C/c1ccco1)N1CCC[C@@H](Cc2cccc(Nc3ccccn3)n2)C1 ZINC000585291355 570259857 /nfs/dbraw/zinc/25/98/57/570259857.db2.gz BLSSHXYPTHZTKC-DXRVJIQQSA-N 0 0 388.471 4.308 40 0 GIABRN Cc1cccnc1Nc1cc([C@H]2CCN(C(=O)/C=C/c3ccccc3)C2)nc(C)n1 ZINC000585291310 570259906 /nfs/dbraw/zinc/25/99/06/570259906.db2.gz AVBHDKIVQVOVKF-CFGKVWFZSA-N 0 0 399.498 4.261 40 0 GIABRN CCOC(=O)c1sc(NC(=O)c2ccc(CC)cc2)c(C(=O)OCC)c1C ZINC000041008143 570271202 /nfs/dbraw/zinc/27/12/02/570271202.db2.gz LVZUBNKORNFHFE-UHFFFAOYSA-N 0 0 389.473 4.225 40 0 GIABRN O=C(Nc1nc([C@H]2CCCN2Cc2ccccn2)cs1)c1ccc(F)cc1 ZINC000585295237 570275335 /nfs/dbraw/zinc/27/53/35/570275335.db2.gz REIBEGHDROPCLP-GOSISDBHSA-N 0 0 382.464 4.267 40 0 GIABRN O=C(CSc1nnc(Cc2c[nH]c3ccccc23)o1)Nc1cccc(F)c1 ZINC000021682093 570294457 /nfs/dbraw/zinc/29/44/57/570294457.db2.gz XQKJWFXOUYJUFV-UHFFFAOYSA-N 0 0 382.420 4.012 40 0 GIABRN O=C(CSc1ccccc1)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000021361082 570295988 /nfs/dbraw/zinc/29/59/88/570295988.db2.gz QREOLVZIRKLJOE-UHFFFAOYSA-N 0 0 390.508 4.390 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2cccc(OC)c2)ccc1Cl ZINC000216356597 570299735 /nfs/dbraw/zinc/29/97/35/570299735.db2.gz INKHVPJKHIDJRJ-SFHVURJKSA-N 0 0 391.851 4.321 40 0 GIABRN Cc1cc(Br)ccc1NC(=O)COC(=O)c1cccc(Cl)c1 ZINC000003385760 570299927 /nfs/dbraw/zinc/29/99/27/570299927.db2.gz DHFABYXOJIEKGN-UHFFFAOYSA-N 0 0 382.641 4.206 40 0 GIABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000216394810 570300619 /nfs/dbraw/zinc/30/06/19/570300619.db2.gz UXUHRGLBIVHJKX-LBPRGKRZSA-N 0 0 395.240 4.260 40 0 GIABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000216470102 570302010 /nfs/dbraw/zinc/30/20/10/570302010.db2.gz HSOUZZOZTFAFJX-OAHLLOKOSA-N 0 0 391.464 4.349 40 0 GIABRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2C)CC1 ZINC000021577977 570304841 /nfs/dbraw/zinc/30/48/41/570304841.db2.gz LCFZJRLKTJFOIS-UHFFFAOYSA-N 0 0 399.922 4.349 40 0 GIABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccccc1F ZINC000021580812 570306582 /nfs/dbraw/zinc/30/65/82/570306582.db2.gz DZDJUWLXSZIQFN-UHFFFAOYSA-N 0 0 391.402 4.395 40 0 GIABRN O=C(Nc1cccc(NC(=O)c2ccc3nsnc3c2)c1)c1cccs1 ZINC000021595357 570307049 /nfs/dbraw/zinc/30/70/49/570307049.db2.gz NNMSQTKYBFHQDC-UHFFFAOYSA-N 0 0 380.454 4.257 40 0 GIABRN Cc1ccc(C(=O)NC(=S)Nc2c3nsnc3ccc2C)cc1Cl ZINC000021596079 570307416 /nfs/dbraw/zinc/30/74/16/570307416.db2.gz KKMOUWXXSKQONC-UHFFFAOYSA-N 0 0 376.894 4.088 40 0 GIABRN CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(C(F)(F)F)cc1)cn2C ZINC000022237232 570309554 /nfs/dbraw/zinc/30/95/54/570309554.db2.gz PNSCVXTUNYRSSX-UHFFFAOYSA-N 0 0 390.361 4.208 40 0 GIABRN CCOc1ccc2c(c1)c(=O)c(C(=O)N[C@@H](C)c1ccc(Cl)cc1)cn2C ZINC000022237416 570309615 /nfs/dbraw/zinc/30/96/15/570309615.db2.gz LZZUEKOJRRFBJZ-ZDUSSCGKSA-N 0 0 384.863 4.082 40 0 GIABRN O=C(c1cccc(OCc2ccccc2Cl)c1)N1CCN(c2ccco2)CC1 ZINC000022258617 570311596 /nfs/dbraw/zinc/31/15/96/570311596.db2.gz JZZDSJLTJIWJLW-UHFFFAOYSA-N 0 0 396.874 4.474 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(NC3CCC3)nc2)cc1 ZINC000072213877 570314196 /nfs/dbraw/zinc/31/41/96/570314196.db2.gz LTQCEYGBCADHQF-FQEVSTJZSA-N 0 0 385.533 4.270 40 0 GIABRN Cc1cc(C)c(N(CC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)c(C)c1 ZINC000022391266 570316121 /nfs/dbraw/zinc/31/61/21/570316121.db2.gz KHMMOTBXOFDYJZ-UHFFFAOYSA-N 0 0 388.533 4.140 40 0 GIABRN Cc1cc(S(=O)(=O)Nc2cccc3ccccc32)ccc1N1CCCC1=O ZINC000022515472 570319164 /nfs/dbraw/zinc/31/91/64/570319164.db2.gz PKVMEKSKDYVMMA-UHFFFAOYSA-N 0 0 380.469 4.076 40 0 GIABRN N[C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Br)cc1 ZINC000072227791 570319307 /nfs/dbraw/zinc/31/93/07/570319307.db2.gz PTOCXHUOOLZTDU-KBPBESRZSA-N 0 0 386.076 4.171 40 0 GIABRN CCOc1ccc(CCCNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1OC ZINC000022525661 570320138 /nfs/dbraw/zinc/32/01/38/570320138.db2.gz XSMFIOREBFWBKQ-SFHVURJKSA-N 0 0 385.504 4.227 40 0 GIABRN Cc1cc(C)c([C@@H](C)NC(=O)C(=O)Nc2cccc(Br)c2)cc1C ZINC000022540683 570321856 /nfs/dbraw/zinc/32/18/56/570321856.db2.gz IASWBAISVINLGV-CQSZACIVSA-N 0 0 389.293 4.190 40 0 GIABRN C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000022540702 570321983 /nfs/dbraw/zinc/32/19/83/570321983.db2.gz KWBJVIDXXRZMSC-SECBINFHSA-N 0 0 388.748 4.314 40 0 GIABRN COc1ccc(Cl)cc1NC(=O)c1cccc(I)c1 ZINC000003192514 570331899 /nfs/dbraw/zinc/33/18/99/570331899.db2.gz HRVRHQTULMEWPF-UHFFFAOYSA-N 0 0 387.604 4.206 40 0 GIABRN Cc1ccc(C)c(NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 ZINC000113967243 570337948 /nfs/dbraw/zinc/33/79/48/570337948.db2.gz HTRJZDIIUZKTMV-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000049729920 570339301 /nfs/dbraw/zinc/33/93/01/570339301.db2.gz LICVCQOIPWBBHB-ZKYUUJBMSA-N 0 0 397.567 4.015 40 0 GIABRN Cn1cnc2cc(CN3CCc4onc(Nc5cccc(F)c5)c4C3)ccc21 ZINC000072352760 570339498 /nfs/dbraw/zinc/33/94/98/570339498.db2.gz OZISWVRVBKXBQI-UHFFFAOYSA-N 0 0 377.423 4.002 40 0 GIABRN COc1cc(C(=S)NC[C@H]2CCCO2)ccc1OCc1ccccc1Cl ZINC000408573831 570341550 /nfs/dbraw/zinc/34/15/50/570341550.db2.gz KVYMQLVGKKRRGK-MRXNPFEDSA-N 0 0 391.920 4.372 40 0 GIABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(CN2CCOCC2)cc1 ZINC000408576452 570342616 /nfs/dbraw/zinc/34/26/16/570342616.db2.gz YAIMQESPEHXIBN-ACCUITESSA-N 0 0 388.467 4.431 40 0 GIABRN CN1CCN(C(=S)c2ccccc2OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000408577869 570343646 /nfs/dbraw/zinc/34/36/46/570343646.db2.gz VCNZJYRVJANLII-UHFFFAOYSA-N 0 0 395.355 4.495 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(Cl)c(C)c1 ZINC000218941220 570344277 /nfs/dbraw/zinc/34/42/77/570344277.db2.gz SFGUQLDGYYPYGQ-SFHVURJKSA-N 0 0 389.879 4.454 40 0 GIABRN C[C@H](Oc1cccc2ccccc21)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000219049717 570347030 /nfs/dbraw/zinc/34/70/30/570347030.db2.gz KBLFECIQYTXHNR-INIZCTEOSA-N 0 0 387.439 4.316 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1cc(C)ccc1C ZINC000219073011 570347067 /nfs/dbraw/zinc/34/70/67/570347067.db2.gz UECWTGIRYVPSPW-APWZRJJASA-N 0 0 383.488 4.498 40 0 GIABRN COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C)CC(C)(C)O2 ZINC000219072685 570347117 /nfs/dbraw/zinc/34/71/17/570347117.db2.gz LEKPDOARWQTMSK-APWZRJJASA-N 0 0 383.488 4.498 40 0 GIABRN COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C)CC(C)(C)O2 ZINC000219072765 570347121 /nfs/dbraw/zinc/34/71/21/570347121.db2.gz LEKPDOARWQTMSK-VQIMIIECSA-N 0 0 383.488 4.498 40 0 GIABRN O=C(NCCSCc1ccccc1Cl)c1cccc(N2CCCC2=O)c1 ZINC000219208299 570349782 /nfs/dbraw/zinc/34/97/82/570349782.db2.gz TVLVMBGRXQBWTC-UHFFFAOYSA-N 0 0 388.920 4.130 40 0 GIABRN CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)OCO4)n2)cc1 ZINC000023389193 570360221 /nfs/dbraw/zinc/36/02/21/570360221.db2.gz LTMBDCPPMXNQGB-UHFFFAOYSA-N 0 0 379.416 4.160 40 0 GIABRN CSc1nc2sc(C(=O)NC3CCCCCC3)cc2c(N2CCCC2)n1 ZINC000408618826 570365321 /nfs/dbraw/zinc/36/53/21/570365321.db2.gz GZNPNFFMMFYYLN-UHFFFAOYSA-N 0 0 390.578 4.466 40 0 GIABRN CC(=O)O[C@]1(C(C)=O)CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118931169 570368760 /nfs/dbraw/zinc/36/87/60/570368760.db2.gz CQNXXURIGGLIOE-JPVPYJKBSA-N 0 0 376.537 4.281 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2ccccc2OC)ccc1Cl ZINC000219563252 570368753 /nfs/dbraw/zinc/36/87/53/570368753.db2.gz LTSGJHIBVJESCT-MRXNPFEDSA-N 0 0 391.851 4.321 40 0 GIABRN COc1c(F)c(F)c(C(=O)Nc2cccc(Br)c2)c(F)c1F ZINC000408621311 570370698 /nfs/dbraw/zinc/37/06/98/570370698.db2.gz LOANJOLFWOGLNN-UHFFFAOYSA-N 0 0 378.119 4.266 40 0 GIABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000219617280 570371320 /nfs/dbraw/zinc/37/13/20/570371320.db2.gz QPCQEVVGZNRTSV-AWEZNQCLSA-N 0 0 391.880 4.268 40 0 GIABRN COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2OC)cc1 ZINC000408625256 570376878 /nfs/dbraw/zinc/37/68/78/570376878.db2.gz IRXDPFKPGDQBKX-UHFFFAOYSA-N 0 0 383.469 4.099 40 0 GIABRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc(Cl)c2)c1 ZINC000408627155 570379332 /nfs/dbraw/zinc/37/93/32/570379332.db2.gz KUYLVUPSCXJVDG-UHFFFAOYSA-N 0 0 396.299 4.469 40 0 GIABRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc(C)c2)c1 ZINC000408627629 570380236 /nfs/dbraw/zinc/38/02/36/570380236.db2.gz MTIGJKQUZBVOMP-UHFFFAOYSA-N 0 0 375.881 4.124 40 0 GIABRN CCCN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)OC)c3C)o2)C1=O ZINC000006657381 570380441 /nfs/dbraw/zinc/38/04/41/570380441.db2.gz JCUOAJBXGPPWTD-GZTJUZNOSA-N 0 0 385.441 4.488 40 0 GIABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2F)cc1C ZINC000408629126 570381410 /nfs/dbraw/zinc/38/14/10/570381410.db2.gz ZRFAFDXPVRJYLV-UHFFFAOYSA-N 0 0 381.270 4.332 40 0 GIABRN C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc2c(c1)CCCC2 ZINC000024316480 570382035 /nfs/dbraw/zinc/38/20/35/570382035.db2.gz QDWIMQGBVRKIMH-KRWDZBQOSA-N 0 0 376.500 4.179 40 0 GIABRN CCc1ccc(N([C@H](C)C(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000220269713 570384175 /nfs/dbraw/zinc/38/41/75/570384175.db2.gz MGEAJEPANVJTAB-CQSZACIVSA-N 0 0 394.924 4.004 40 0 GIABRN CCc1ccccc1NC(=O)[C@@H](CC)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220529848 570388112 /nfs/dbraw/zinc/38/81/12/570388112.db2.gz GQSLTNRKRWFJOQ-LJQANCHMSA-N 0 0 388.533 4.049 40 0 GIABRN CC[C@H](C(=O)Nc1cc(C)ccc1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220558033 570388588 /nfs/dbraw/zinc/38/85/88/570388588.db2.gz USUMTWSZPOMOHR-HXUWFJFHSA-N 0 0 388.533 4.104 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 ZINC000222461330 570411578 /nfs/dbraw/zinc/41/15/78/570411578.db2.gz NPMNOGJCOZNEPN-QFIPXVFZSA-N 0 0 380.532 4.260 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222481547 570411985 /nfs/dbraw/zinc/41/19/85/570411985.db2.gz JUEDBUNZHNEDDZ-LJQANCHMSA-N 0 0 380.532 4.214 40 0 GIABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 ZINC000222545181 570414017 /nfs/dbraw/zinc/41/40/17/570414017.db2.gz OKQPVKITSGRFPE-DLBZAZTESA-N 0 0 394.515 4.500 40 0 GIABRN COc1cccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1OC(C)C ZINC000222575843 570415003 /nfs/dbraw/zinc/41/50/03/570415003.db2.gz PPWNVTGPKAKARE-JVPBZIDWSA-N 0 0 383.517 4.467 40 0 GIABRN Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccnc1 ZINC000222598265 570416192 /nfs/dbraw/zinc/41/61/92/570416192.db2.gz JOLBTLIYHUYHCJ-ONGXBYRLSA-N 0 0 389.528 4.473 40 0 GIABRN O=C(CCc1ccc2c(c1)OCCO2)NCCSCc1cccc(Cl)c1 ZINC000222638359 570418000 /nfs/dbraw/zinc/41/80/00/570418000.db2.gz HIWBDXLFSRZXGI-UHFFFAOYSA-N 0 0 391.920 4.093 40 0 GIABRN C[C@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc2c(c1)OCCO2 ZINC000222658487 570419374 /nfs/dbraw/zinc/41/93/74/570419374.db2.gz PCXIICVXZSKEHK-LBPRGKRZSA-N 0 0 395.883 4.361 40 0 GIABRN Cc1ccc(C)c(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222666168 570419609 /nfs/dbraw/zinc/41/96/09/570419609.db2.gz MZIYWIDHGDGZBX-IBGZPJMESA-N 0 0 380.532 4.178 40 0 GIABRN CCOc1ccc([C@@H](C)NC(=O)C2(c3ccccc3)CCOCC2)cc1OCC ZINC000025869185 570420584 /nfs/dbraw/zinc/42/05/84/570420584.db2.gz XXLPHUGMAWXWKB-GOSISDBHSA-N 0 0 397.515 4.410 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222704053 570421331 /nfs/dbraw/zinc/42/13/31/570421331.db2.gz ASMFWCBPJGFPAB-IBGZPJMESA-N 0 0 380.532 4.178 40 0 GIABRN Cc1ccccc1CN(C(=O)Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)(C)C ZINC000222710655 570421868 /nfs/dbraw/zinc/42/18/68/570421868.db2.gz RSSZGAZJPVSXJU-QGZVFWFLSA-N 0 0 384.495 4.009 40 0 GIABRN Cc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222745139 570423439 /nfs/dbraw/zinc/42/34/39/570423439.db2.gz MDXVSKCABABDAR-IBGZPJMESA-N 0 0 396.531 4.014 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222782672 570425558 /nfs/dbraw/zinc/42/55/58/570425558.db2.gz MVZMWZULZBTPOB-QGZVFWFLSA-N 0 0 384.495 4.009 40 0 GIABRN COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1 ZINC000222841949 570428719 /nfs/dbraw/zinc/42/87/19/570428719.db2.gz CSBGCFBGNLZXEW-SFTDATJTSA-N 0 0 392.528 4.262 40 0 GIABRN Cc1ccc([S@](=O)N(OCc2ccccc2)[S@@](=O)c2ccc(C)cc2)cc1 ZINC000005190999 570431090 /nfs/dbraw/zinc/43/10/90/570431090.db2.gz QKWWCEWGWIDZJS-KAYWLYCHSA-N 0 0 399.537 4.483 40 0 GIABRN COc1cc(CN(C)C(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1OC ZINC000222963072 570433558 /nfs/dbraw/zinc/43/35/58/570433558.db2.gz UOTYDPWQWGKTRV-UHFFFAOYSA-N 0 0 383.366 4.003 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222965349 570433707 /nfs/dbraw/zinc/43/37/07/570433707.db2.gz INBPHVHVZLQVQI-SFHVURJKSA-N 0 0 393.314 4.089 40 0 GIABRN CCc1ccc(NCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000005318463 570434086 /nfs/dbraw/zinc/43/40/86/570434086.db2.gz AZMSXRZKEPORAW-VCHYOVAHSA-N 0 0 382.441 4.084 40 0 GIABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000222975033 570434311 /nfs/dbraw/zinc/43/43/11/570434311.db2.gz FCRIWEYIFKENFN-OAHLLOKOSA-N 0 0 385.489 4.231 40 0 GIABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000222974270 570434338 /nfs/dbraw/zinc/43/43/38/570434338.db2.gz ATXJUNAOOYKIRZ-LJQANCHMSA-N 0 0 393.487 4.478 40 0 GIABRN COc1ccc(C(=O)N2CCc3ccc(NC(=O)C4CCCCC4)cc32)cc1 ZINC000222972687 570434396 /nfs/dbraw/zinc/43/43/96/570434396.db2.gz ICRIFFJWUVDOAO-UHFFFAOYSA-N 0 0 378.472 4.417 40 0 GIABRN S=C(NCC1CCN(C(=S)Nc2ccccc2)CC1)Nc1ccccc1 ZINC000005338390 570434694 /nfs/dbraw/zinc/43/46/94/570434694.db2.gz AOPBEGHFQGCOKS-UHFFFAOYSA-N 0 0 384.574 4.082 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cccc(C)c1C ZINC000222993191 570435716 /nfs/dbraw/zinc/43/57/16/570435716.db2.gz FKIHEUQTYLRCHZ-HXUWFJFHSA-N 0 0 396.531 4.016 40 0 GIABRN CCc1cc(Br)ccc1NC(=O)COC(=O)c1ccccc1C ZINC000007939759 570436929 /nfs/dbraw/zinc/43/69/29/570436929.db2.gz GDFLEYASVNGYRO-UHFFFAOYSA-N 0 0 376.250 4.115 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 ZINC000223042711 570439012 /nfs/dbraw/zinc/43/90/12/570439012.db2.gz YRIMEVUYYCPOTL-GOSISDBHSA-N 0 0 384.495 4.010 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223078904 570441982 /nfs/dbraw/zinc/44/19/82/570441982.db2.gz BEVMZRRDVILOBB-OAQYLSRUSA-N 0 0 394.559 4.488 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223094403 570442955 /nfs/dbraw/zinc/44/29/55/570442955.db2.gz BSCOUAGBTROSFN-QFIPXVFZSA-N 0 0 396.531 4.051 40 0 GIABRN Cc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)C[C@H]3C)c(Br)c1 ZINC000223098336 570443326 /nfs/dbraw/zinc/44/33/26/570443326.db2.gz BENOCFZOBLEYSP-GFCCVEGCSA-N 0 0 397.272 4.442 40 0 GIABRN Cc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000005511895 570443564 /nfs/dbraw/zinc/44/35/64/570443564.db2.gz PNQGVQLUPICYLR-UHFFFAOYSA-N 0 0 392.908 4.075 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1cc(C)ccc1C ZINC000223128976 570445444 /nfs/dbraw/zinc/44/54/44/570445444.db2.gz IBHSVGIJASRSMF-OALUTQOASA-N 0 0 398.522 4.317 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 ZINC000223134184 570445841 /nfs/dbraw/zinc/44/58/41/570445841.db2.gz KMKMFYFIYNSDQQ-SFHVURJKSA-N 0 0 393.314 4.089 40 0 GIABRN CC(C)CC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000039742136 570447106 /nfs/dbraw/zinc/44/71/06/570447106.db2.gz UCQQSPBTALMZBC-UHFFFAOYSA-N 0 0 380.473 4.442 40 0 GIABRN COc1cccc(CCCNS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 ZINC000223209393 570450275 /nfs/dbraw/zinc/45/02/75/570450275.db2.gz GVPKLARZWSVKOP-UHFFFAOYSA-N 0 0 391.533 4.047 40 0 GIABRN COc1ccccc1Cc1nc2ccccc2n1S(=O)(=O)c1ccc(F)cc1 ZINC000035288999 570452226 /nfs/dbraw/zinc/45/22/26/570452226.db2.gz AHHTZPBDLJJXIJ-UHFFFAOYSA-N 0 0 396.443 4.012 40 0 GIABRN COc1ccc(CC2=NCCc3cc(OC)c(OC)cc32)cc1Br ZINC000005722009 570453094 /nfs/dbraw/zinc/45/30/94/570453094.db2.gz FNHNRCUJHUNZIF-UHFFFAOYSA-N 0 0 390.277 4.063 40 0 GIABRN Cc1[nH]c2ccccc2c1C(=O)C[C@@]1(O)C(=O)Nc2c1cc(Cl)cc2Cl ZINC000005722359 570453169 /nfs/dbraw/zinc/45/31/69/570453169.db2.gz CEIIMNABGZPOEZ-IBGZPJMESA-N 0 0 389.238 4.196 40 0 GIABRN COc1ccc(Cl)cc1S(=O)(=O)NCCSc1ccc(Cl)cc1 ZINC000223251767 570453257 /nfs/dbraw/zinc/45/32/57/570453257.db2.gz GPSXNPOQDPTMQP-UHFFFAOYSA-N 0 0 392.329 4.073 40 0 GIABRN COc1ccc(O[C@@]2(c3cc(OC)ccc3OC)OC(=O)c3ccccc32)cc1 ZINC000005812058 570457820 /nfs/dbraw/zinc/45/78/20/570457820.db2.gz ZYODGRBMMMTNDX-HSZRJFAPSA-N 0 0 392.407 4.163 40 0 GIABRN C[C@@H](CNC(=O)COc1ccc(Br)cc1Cl)c1ccccc1 ZINC000005829500 570458291 /nfs/dbraw/zinc/45/82/91/570458291.db2.gz GLUGYNJBSHGZLH-LBPRGKRZSA-N 0 0 382.685 4.401 40 0 GIABRN CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)c1 ZINC000005842363 570458744 /nfs/dbraw/zinc/45/87/44/570458744.db2.gz UHFCTQDPECKQNC-UHFFFAOYSA-N 0 0 399.516 4.195 40 0 GIABRN CCOC(=O)c1ccc2[nH]c(-c3cccc(I)c3)nc2c1 ZINC000226235687 570458879 /nfs/dbraw/zinc/45/88/79/570458879.db2.gz RFYYFWAGNCNVHA-UHFFFAOYSA-N 0 0 392.196 4.011 40 0 GIABRN CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 ZINC000223340059 570459889 /nfs/dbraw/zinc/45/98/89/570459889.db2.gz KQTAYDFZWDVVRD-MOPGFXCFSA-N 0 0 380.517 4.404 40 0 GIABRN O=C(CSc1nc(-c2ccccc2)nc2ccccc21)Nc1cncs1 ZINC000005903089 570461144 /nfs/dbraw/zinc/46/11/44/570461144.db2.gz HBXRIRMNIOKUDN-UHFFFAOYSA-N 0 0 378.482 4.484 40 0 GIABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)[nH]c2C)cc1 ZINC000223410586 570464877 /nfs/dbraw/zinc/46/48/77/570464877.db2.gz RUGQFCYESKAUOI-NHCUHLMSSA-N 0 0 392.528 4.208 40 0 GIABRN COc1ccccc1N[C@H](C(=O)NC1CCCC1)c1ccc2ncccc2c1 ZINC000035314902 570469007 /nfs/dbraw/zinc/46/90/07/570469007.db2.gz OLSGPLXLKUHNKK-QFIPXVFZSA-N 0 0 375.472 4.455 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1Cc1ccccn1 ZINC000223522077 570469573 /nfs/dbraw/zinc/46/95/73/570469573.db2.gz PFGQQNYHHPUMCR-IRXDYDNUSA-N 0 0 386.933 4.364 40 0 GIABRN CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1 ZINC000223531011 570469663 /nfs/dbraw/zinc/46/96/63/570469663.db2.gz ORJKKMVFMLMTJC-VQTJNVASSA-N 0 0 391.544 4.206 40 0 GIABRN CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCC ZINC000223548958 570470744 /nfs/dbraw/zinc/47/07/44/570470744.db2.gz KEARGLHGKXLLQG-QHCPKHFHSA-N 0 0 396.531 4.482 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223546728 570470751 /nfs/dbraw/zinc/47/07/51/570470751.db2.gz GFOKZKVOVGIJLE-AWEZNQCLSA-N 0 0 393.314 4.089 40 0 GIABRN CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)C(C)C ZINC000223553506 570471203 /nfs/dbraw/zinc/47/12/03/570471203.db2.gz AWEZHMXXQZUTEJ-QFIPXVFZSA-N 0 0 396.531 4.337 40 0 GIABRN O=C(COc1cccc(C(F)(F)F)c1)NCCOc1cccc2ccccc21 ZINC000223580135 570472404 /nfs/dbraw/zinc/47/24/04/570472404.db2.gz DSELRRFEBYEJSK-UHFFFAOYSA-N 0 0 389.373 4.433 40 0 GIABRN CCN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2Cl)CC1 ZINC000006241914 570473507 /nfs/dbraw/zinc/47/35/07/570473507.db2.gz MLACCWMAUODDJB-UHFFFAOYSA-N 0 0 378.303 4.388 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1 ZINC000223607572 570474072 /nfs/dbraw/zinc/47/40/72/570474072.db2.gz QWGSXLMHGWGXLE-JOCHJYFZSA-N 0 0 396.531 4.098 40 0 GIABRN O=C(Cc1cccc(Br)c1)NCCOc1ccc2ccccc2c1 ZINC000223646212 570476678 /nfs/dbraw/zinc/47/66/78/570476678.db2.gz SETFHZQGHLQYOZ-UHFFFAOYSA-N 0 0 384.273 4.340 40 0 GIABRN CC1(C)CCc2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc2O1 ZINC000223658287 570477128 /nfs/dbraw/zinc/47/71/28/570477128.db2.gz GNLUCTRYENHXMG-UHFFFAOYSA-N 0 0 396.306 4.354 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C ZINC000223680767 570478411 /nfs/dbraw/zinc/47/84/11/570478411.db2.gz BLRNXTATVNVTGL-IBGZPJMESA-N 0 0 396.531 4.051 40 0 GIABRN COc1ccc2cc(S(=O)(=O)Nc3ccccc3Br)ccc2c1 ZINC000223687051 570478852 /nfs/dbraw/zinc/47/88/52/570478852.db2.gz SGUCJXWZGQQBAT-UHFFFAOYSA-N 0 0 392.274 4.412 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 ZINC000223700688 570479679 /nfs/dbraw/zinc/47/96/79/570479679.db2.gz SMFFAOZLQHXOKO-QFIPXVFZSA-N 0 0 398.522 4.400 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 ZINC000223702149 570479682 /nfs/dbraw/zinc/47/96/82/570479682.db2.gz IWWVREQYOXAINN-JOCHJYFZSA-N 0 0 396.531 4.098 40 0 GIABRN O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1cc2ccccc2o1 ZINC000006423357 570479830 /nfs/dbraw/zinc/47/98/30/570479830.db2.gz IRJHRYVCYPOSCE-UHFFFAOYSA-N 0 0 379.441 4.131 40 0 GIABRN CCCC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223706672 570480335 /nfs/dbraw/zinc/48/03/35/570480335.db2.gz KIZVARQNBDRTEY-AVRDEDQJSA-N 0 0 398.522 4.480 40 0 GIABRN O=Cc1ccc(Sc2nc3c(c(C(F)(F)F)n2)CCCC3)c([N+](=O)[O-])c1 ZINC000006453137 570480667 /nfs/dbraw/zinc/48/06/67/570480667.db2.gz OXKYHSVNTFEPGG-UHFFFAOYSA-N 0 0 383.351 4.246 40 0 GIABRN O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cccs2)CC1 ZINC000000783926 570480759 /nfs/dbraw/zinc/48/07/59/570480759.db2.gz VTLQRXPIALYECI-UHFFFAOYSA-N 0 0 382.407 4.258 40 0 GIABRN Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)c3ccccc3)cc2c1 ZINC000000790388 570481461 /nfs/dbraw/zinc/48/14/61/570481461.db2.gz ZNPPJQMGZJZZDD-UHFFFAOYSA-N 0 0 383.451 4.074 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 ZINC000223725327 570481578 /nfs/dbraw/zinc/48/15/78/570481578.db2.gz DZCLPCIAZSCLGQ-AWEZNQCLSA-N 0 0 393.314 4.089 40 0 GIABRN CCCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccncc1 ZINC000000796393 570481952 /nfs/dbraw/zinc/48/19/52/570481952.db2.gz DXMGNNXUOUPUTA-UHFFFAOYSA-N 0 0 395.532 4.352 40 0 GIABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223741043 570482287 /nfs/dbraw/zinc/48/22/87/570482287.db2.gz QQXIDZDAOGUWJS-KRWDZBQOSA-N 0 0 398.934 4.359 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1C ZINC000223743898 570482728 /nfs/dbraw/zinc/48/27/28/570482728.db2.gz CENQPDTURAZIIB-HXUWFJFHSA-N 0 0 392.543 4.322 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223748537 570482974 /nfs/dbraw/zinc/48/29/74/570482974.db2.gz MOXDYUONJCWKJE-IBGZPJMESA-N 0 0 378.516 4.014 40 0 GIABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000223765531 570483513 /nfs/dbraw/zinc/48/35/13/570483513.db2.gz VNHHYBRXRNDURO-JOCHJYFZSA-N 0 0 381.516 4.325 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223770649 570483976 /nfs/dbraw/zinc/48/39/76/570483976.db2.gz HHBQIZHEOJDTMS-KRWDZBQOSA-N 0 0 386.923 4.053 40 0 GIABRN Cc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)o1 ZINC000008369832 570484109 /nfs/dbraw/zinc/48/41/09/570484109.db2.gz PRLKDMFZFNNZPC-RIYZIHGNSA-N 0 0 392.889 4.096 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2cccc(Cl)c2)cc1 ZINC000006650557 570485900 /nfs/dbraw/zinc/48/59/00/570485900.db2.gz NCNGFHAXJDXLRT-UHFFFAOYSA-N 0 0 389.835 4.092 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1C ZINC000223842281 570486491 /nfs/dbraw/zinc/48/64/91/570486491.db2.gz SJZPQPCWOAOSCJ-QGZVFWFLSA-N 0 0 386.923 4.134 40 0 GIABRN CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 ZINC000223915300 570490025 /nfs/dbraw/zinc/49/00/25/570490025.db2.gz MEGYHEPHLDJPMG-LEWJYISDSA-N 0 0 391.544 4.146 40 0 GIABRN CCOc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 ZINC000223923252 570490488 /nfs/dbraw/zinc/49/04/88/570490488.db2.gz UXDBLYDVXNQVTM-UHFFFAOYSA-N 0 0 396.468 4.138 40 0 GIABRN CCC(CC)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000224016481 570494855 /nfs/dbraw/zinc/49/48/55/570494855.db2.gz GTRKGZXLSSBZBY-UHFFFAOYSA-N 0 0 380.897 4.059 40 0 GIABRN Cc1ccc(C)c(OCCNC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 ZINC000224030699 570495413 /nfs/dbraw/zinc/49/54/13/570495413.db2.gz YBFGWQGOIIZYKC-HNNXBMFYSA-N 0 0 392.293 4.028 40 0 GIABRN CCCC[C@H](CC)CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000224074161 570497305 /nfs/dbraw/zinc/49/73/05/570497305.db2.gz OUQIZSQXNLXWQY-KRWDZBQOSA-N 0 0 388.533 4.434 40 0 GIABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCC1=CCCCC1 ZINC000224077986 570497317 /nfs/dbraw/zinc/49/73/17/570497317.db2.gz WKCWMGSFUJBQBN-UHFFFAOYSA-N 0 0 384.501 4.026 40 0 GIABRN Cc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)ccc1N1CCCC1=O ZINC000030849351 570498221 /nfs/dbraw/zinc/49/82/21/570498221.db2.gz WLFBMBZMPZOPCD-UHFFFAOYSA-N 0 0 399.299 4.229 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 ZINC000224094120 570498377 /nfs/dbraw/zinc/49/83/77/570498377.db2.gz BNLXLWRFDWEFTD-FQEVSTJZSA-N 0 0 384.545 4.031 40 0 GIABRN CCCC[C@@H](CC)CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000224099012 570498711 /nfs/dbraw/zinc/49/87/11/570498711.db2.gz SXVPFFXHCJIMBU-GOSISDBHSA-N 0 0 394.581 4.116 40 0 GIABRN Cc1ccc(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000224105110 570499073 /nfs/dbraw/zinc/49/90/73/570499073.db2.gz OUHKBIZXMCUBDA-HXUWFJFHSA-N 0 0 392.543 4.056 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(C)c3)c2)cc1 ZINC000224129734 570500025 /nfs/dbraw/zinc/50/00/25/570500025.db2.gz OTFQROUDOMIREE-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccccc1 ZINC000224136760 570500571 /nfs/dbraw/zinc/50/05/71/570500571.db2.gz IYCQMMAFLXUGDA-HXUWFJFHSA-N 0 0 384.545 4.031 40 0 GIABRN COc1ccc(NCc2nnc(SCC(=O)Nc3c(C)cccc3C)o2)cc1 ZINC000000870382 570501827 /nfs/dbraw/zinc/50/18/27/570501827.db2.gz FBVFYXLBOGCPSW-UHFFFAOYSA-N 0 0 398.488 4.038 40 0 GIABRN O=S(=O)(Cc1c(F)cccc1Cl)Nc1ccc(Cc2ccncc2)cc1 ZINC000224182017 570502751 /nfs/dbraw/zinc/50/27/51/570502751.db2.gz YJYSZKHJRNSKLU-UHFFFAOYSA-N 0 0 390.867 4.407 40 0 GIABRN COc1ccc(-n2c(C)nnc2S[C@@H](C)C(=O)Nc2ccc(C)cc2)cc1 ZINC000000872593 570503020 /nfs/dbraw/zinc/50/30/20/570503020.db2.gz WKGVHFOTMGFBJK-AWEZNQCLSA-N 0 0 382.489 4.012 40 0 GIABRN CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000043220454 570503432 /nfs/dbraw/zinc/50/34/32/570503432.db2.gz IOYYHNVDVUENSX-LJQANCHMSA-N 0 0 388.508 4.091 40 0 GIABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CC ZINC000224197459 570503451 /nfs/dbraw/zinc/50/34/51/570503451.db2.gz XTFCXVZTOYUBMC-FQEVSTJZSA-N 0 0 386.923 4.216 40 0 GIABRN COc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1OC ZINC000007368146 570503490 /nfs/dbraw/zinc/50/34/90/570503490.db2.gz SVFJMJWCTPCWGT-UHFFFAOYSA-N 0 0 382.938 4.436 40 0 GIABRN Cc1cc(C)c2cc(C)c3nnc(SCC(=O)N4CCC[C@H](C)C4)n3c2c1 ZINC000000877193 570503724 /nfs/dbraw/zinc/50/37/24/570503724.db2.gz MVPMXMDRKHTKNP-ZDUSSCGKSA-N 0 0 382.533 4.158 40 0 GIABRN Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3cccc(F)c3)o2)c1 ZINC000000876055 570504027 /nfs/dbraw/zinc/50/40/27/570504027.db2.gz GOCJWQBLJNCCGO-UHFFFAOYSA-N 0 0 387.436 4.135 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 ZINC000224223667 570504604 /nfs/dbraw/zinc/50/46/04/570504604.db2.gz LXJMLQYRCWPSAQ-HXUWFJFHSA-N 0 0 386.923 4.134 40 0 GIABRN CC[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000224237184 570505055 /nfs/dbraw/zinc/50/50/55/570505055.db2.gz BGKAKWRUSCBVNM-AWEZNQCLSA-N 0 0 394.924 4.002 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 ZINC000224271230 570506649 /nfs/dbraw/zinc/50/66/49/570506649.db2.gz NCHVRYJMNUZYIE-FQEVSTJZSA-N 0 0 386.923 4.216 40 0 GIABRN COc1ccccc1N1CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1 ZINC000007522451 570506739 /nfs/dbraw/zinc/50/67/39/570506739.db2.gz KNSGABZKZTWNQV-UHFFFAOYSA-N 0 0 379.888 4.007 40 0 GIABRN CCC(C)(C)NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224274576 570507027 /nfs/dbraw/zinc/50/70/27/570507027.db2.gz DNYMIYFNFPNHNV-UHFFFAOYSA-N 0 0 394.924 4.084 40 0 GIABRN C[C@H]1[C@@H](c2ccc(N(C)C)cc2)c2cc3c(cc2O[C@@H]1N1CCCC1)OCO3 ZINC000031860878 570507031 /nfs/dbraw/zinc/50/70/31/570507031.db2.gz VEINRYGCKDRNLM-MPMWTEJESA-N 0 0 380.488 4.064 40 0 GIABRN Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000224291779 570507804 /nfs/dbraw/zinc/50/78/04/570507804.db2.gz WORNQEJESWAANM-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224300368 570508266 /nfs/dbraw/zinc/50/82/66/570508266.db2.gz VTLQPCTUHWBSOI-IBGZPJMESA-N 0 0 398.522 4.256 40 0 GIABRN Cc1ccc(C(=O)NC(C)(C)C)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224313752 570508504 /nfs/dbraw/zinc/50/85/04/570508504.db2.gz HJTUSJVAIVIEDB-UHFFFAOYSA-N 0 0 394.924 4.002 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C ZINC000224310111 570508581 /nfs/dbraw/zinc/50/85/81/570508581.db2.gz XHVXTUKYZOCISK-FQEVSTJZSA-N 0 0 386.923 4.134 40 0 GIABRN CCCCc1ccc2[nH]c(=NC(=S)NC(=O)C=Cc3ccco3)sc2c1 ZINC000032118806 570509050 /nfs/dbraw/zinc/50/90/50/570509050.db2.gz XAOFKOPFAAHKKB-CSKARUKUSA-N 0 0 385.514 4.180 40 0 GIABRN CCN(c1ccc(C(=O)Nc2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000224357359 570510440 /nfs/dbraw/zinc/51/04/40/570510440.db2.gz ITXPOHPVDMYGCO-UHFFFAOYSA-N 0 0 398.459 4.293 40 0 GIABRN CCN(c1ccc(C(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000224353578 570510465 /nfs/dbraw/zinc/51/04/65/570510465.db2.gz XQHURSQVCLJIGJ-UHFFFAOYSA-N 0 0 380.469 4.154 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 ZINC000224366493 570510896 /nfs/dbraw/zinc/51/08/96/570510896.db2.gz WQYFQQDTLOUGPR-INIZCTEOSA-N 0 0 381.472 4.457 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)c(C)c1C ZINC000224397655 570512100 /nfs/dbraw/zinc/51/21/00/570512100.db2.gz KSSHXDRNFDKGBK-UHFFFAOYSA-N 0 0 388.258 4.014 40 0 GIABRN Cc1cccc(OCC(=O)Nc2nnc(SCc3ccccc3)s2)c1C ZINC000007688015 570512708 /nfs/dbraw/zinc/51/27/08/570512708.db2.gz YCGJKBVJNLOJKI-UHFFFAOYSA-N 0 0 385.514 4.465 40 0 GIABRN O=C(CSc1nnc(-c2ccc(O)cc2)o1)Nc1cccc2ccccc21 ZINC000000892428 570512850 /nfs/dbraw/zinc/51/28/50/570512850.db2.gz KDFGNUYSRVWCKO-UHFFFAOYSA-N 0 0 377.425 4.326 40 0 GIABRN CCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000224456936 570513899 /nfs/dbraw/zinc/51/38/99/570513899.db2.gz UNTRCEQLNHILIL-FQEVSTJZSA-N 0 0 384.495 4.090 40 0 GIABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(OC)cc1 ZINC000224460829 570514097 /nfs/dbraw/zinc/51/40/97/570514097.db2.gz AIZLIZDUJAGPLE-QFIPXVFZSA-N 0 0 379.456 4.201 40 0 GIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000224464620 570514439 /nfs/dbraw/zinc/51/44/39/570514439.db2.gz BTLVIAHTWXSMSN-JOCHJYFZSA-N 0 0 376.456 4.477 40 0 GIABRN COc1cccc(NC(=O)CSc2nnc3c(C)cc4ccc(C)cc4n23)c1 ZINC000000903061 570514776 /nfs/dbraw/zinc/51/47/76/570514776.db2.gz GIOOIKATSDOWPL-UHFFFAOYSA-N 0 0 392.484 4.239 40 0 GIABRN Cc1ccc(OCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1C ZINC000007759631 570514875 /nfs/dbraw/zinc/51/48/75/570514875.db2.gz LMUMNDNMMPNRTH-UHFFFAOYSA-N 0 0 385.851 4.044 40 0 GIABRN COc1cccc(C(=O)CSc2nnc3c(C)cc4ccc(C)cc4n23)c1 ZINC000000903114 570515208 /nfs/dbraw/zinc/51/52/08/570515208.db2.gz XJLJPQPCVHKKLE-UHFFFAOYSA-N 0 0 377.469 4.483 40 0 GIABRN Fc1ccc(-c2nc3ccc(Br)cn3c2NC[C@@H]2CCCO2)cc1 ZINC000000904214 570515522 /nfs/dbraw/zinc/51/55/22/570515522.db2.gz WSCXWBLZDGCYKX-HNNXBMFYSA-N 0 0 390.256 4.494 40 0 GIABRN CCOc1ccc(C(=O)N[C@H](C)COC)cc1COc1cccc(Cl)c1 ZINC000224494950 570515645 /nfs/dbraw/zinc/51/56/45/570515645.db2.gz BVAFWAMBAMBLIU-CQSZACIVSA-N 0 0 377.868 4.082 40 0 GIABRN CC(C)c1ccccc1O[C@@H](C)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000224522761 570516259 /nfs/dbraw/zinc/51/62/59/570516259.db2.gz UVMYZWGEHQDIPL-IBGZPJMESA-N 0 0 381.516 4.442 40 0 GIABRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C)c2C)c1 ZINC000224527910 570516798 /nfs/dbraw/zinc/51/67/98/570516798.db2.gz SYTNSRVPSKBZMT-NHCUHLMSSA-N 0 0 392.528 4.223 40 0 GIABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000224538838 570517219 /nfs/dbraw/zinc/51/72/19/570517219.db2.gz ZJNHUSGNLUVECR-UHFFFAOYSA-N 0 0 386.498 4.418 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000224554498 570518183 /nfs/dbraw/zinc/51/81/83/570518183.db2.gz QMHJTJGXLBEDGF-QHCPKHFHSA-N 0 0 394.559 4.426 40 0 GIABRN COc1ccc(CN(C)C(=O)CSCc2ccc(Br)cc2)cc1 ZINC000007871797 570518808 /nfs/dbraw/zinc/51/88/08/570518808.db2.gz WMASFXUKKGXKRV-UHFFFAOYSA-N 0 0 394.334 4.350 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCCc2ccc(OC(C)C)cc2)c(C)c1 ZINC000224588266 570519490 /nfs/dbraw/zinc/51/94/90/570519490.db2.gz CFSGUCRMBYPEMO-UHFFFAOYSA-N 0 0 391.533 4.010 40 0 GIABRN CCOc1ccc(S(=O)(=O)N(CC)c2ccc(Br)c(C)c2)cc1 ZINC000224595669 570519844 /nfs/dbraw/zinc/51/98/44/570519844.db2.gz LEVCMHSWGIXWFE-UHFFFAOYSA-N 0 0 398.322 4.371 40 0 GIABRN CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C ZINC000224599573 570520195 /nfs/dbraw/zinc/52/01/95/570520195.db2.gz WGCPWVZFXLPDAM-LEWJYISDSA-N 0 0 392.528 4.403 40 0 GIABRN C[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000007980997 570520450 /nfs/dbraw/zinc/52/04/50/570520450.db2.gz ZLGSCTFDHCMOTE-LLVKDONJSA-N 0 0 382.243 4.021 40 0 GIABRN CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000224614341 570520493 /nfs/dbraw/zinc/52/04/93/570520493.db2.gz ZWZSZJURXZZTOO-HXUWFJFHSA-N 0 0 376.456 4.477 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000224658227 570522999 /nfs/dbraw/zinc/52/29/99/570522999.db2.gz KNMXNCQHXDELFG-LJQANCHMSA-N 0 0 396.531 4.132 40 0 GIABRN CCCC[C@@H](CC)CNC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000224655780 570523005 /nfs/dbraw/zinc/52/30/05/570523005.db2.gz UAPVDCJATVDBQE-LJQANCHMSA-N 0 0 396.597 4.182 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C ZINC000224665652 570523639 /nfs/dbraw/zinc/52/36/39/570523639.db2.gz WYBAHTVNZOBWFK-IBGZPJMESA-N 0 0 396.531 4.132 40 0 GIABRN Cc1nnc(S[C@@H](C)C(=O)Nc2cccc3ccccc32)n1C[C@H]1CCCO1 ZINC000000915425 570523619 /nfs/dbraw/zinc/52/36/19/570523619.db2.gz FHTZIRBHCNGZAA-WMLDXEAASA-N 0 0 396.516 4.038 40 0 GIABRN Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000008207387 570524028 /nfs/dbraw/zinc/52/40/28/570524028.db2.gz YUXGUGLIFOHLRV-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000224727500 570526959 /nfs/dbraw/zinc/52/69/59/570526959.db2.gz JUQRVFBNASNMNP-QGZVFWFLSA-N 0 0 386.923 4.134 40 0 GIABRN CCOc1ccc(N(CC)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000224726572 570527078 /nfs/dbraw/zinc/52/70/78/570527078.db2.gz UEIRKJIWIBCAPX-UHFFFAOYSA-N 0 0 384.295 4.063 40 0 GIABRN CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000224733939 570527893 /nfs/dbraw/zinc/52/78/93/570527893.db2.gz ZWXVUCFOTDMZSF-UHFFFAOYSA-N 0 0 392.677 4.457 40 0 GIABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCCCc1ccco1 ZINC000224825313 570532671 /nfs/dbraw/zinc/53/26/71/570532671.db2.gz XWQYLCWKXZLMEG-HKWRFOASSA-N 0 0 394.496 4.169 40 0 GIABRN COc1cccc(NC(=O)N(Cc2ccccc2)c2nnc3n2CCCCC3)c1 ZINC000008494718 570532908 /nfs/dbraw/zinc/53/29/08/570532908.db2.gz ATIMPLNKIHYDRL-UHFFFAOYSA-N 0 0 391.475 4.252 40 0 GIABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC2=CCCCC2)c1 ZINC000224834080 570533254 /nfs/dbraw/zinc/53/32/54/570533254.db2.gz QJURYCKBJQCCHH-PGMHBOJBSA-N 0 0 378.472 4.366 40 0 GIABRN CCOc1ccc(-c2cnc(CCC(=O)Nc3ccccc3C(=O)OC)o2)cc1 ZINC000224859675 570534624 /nfs/dbraw/zinc/53/46/24/570534624.db2.gz XFBXXNKVLGQNET-UHFFFAOYSA-N 0 0 394.427 4.098 40 0 GIABRN CC1CCN(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)CC1 ZINC000000918413 570534673 /nfs/dbraw/zinc/53/46/73/570534673.db2.gz DUGNMHWHPQAWIA-IUODEOHRSA-N 0 0 382.386 4.009 40 0 GIABRN O=C(CCc1ncc(-c2ccc(Br)cc2)o1)NCCc1ccccc1 ZINC000224874991 570535494 /nfs/dbraw/zinc/53/54/94/570535494.db2.gz POIVIXFHGNSDKO-UHFFFAOYSA-N 0 0 399.288 4.396 40 0 GIABRN Cc1sc2ncn3c(SCC(=O)Nc4cc(C)cc(C)c4)nnc3c2c1C ZINC000000925330 570538516 /nfs/dbraw/zinc/53/85/16/570538516.db2.gz KVHWGFZDCZYPLQ-UHFFFAOYSA-N 0 0 397.529 4.303 40 0 GIABRN Cc1sc2[nH]c(SCC(=O)Nc3ccc(C)c(Cl)c3)nc(=O)c2c1C ZINC000001368268 570538896 /nfs/dbraw/zinc/53/88/96/570538896.db2.gz OPZBTTXAJLCKKF-UHFFFAOYSA-N 0 0 393.921 4.294 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cccc(F)c1 ZINC000224956124 570539417 /nfs/dbraw/zinc/53/94/17/570539417.db2.gz SJTRGGJVJKRTFR-UHFFFAOYSA-N 0 0 388.395 4.018 40 0 GIABRN COc1ccc(OC[C@@H](C)NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000224977916 570541408 /nfs/dbraw/zinc/54/14/08/570541408.db2.gz KQNKZRARTQIPFG-GOSISDBHSA-N 0 0 375.468 4.488 40 0 GIABRN CCCNC(=O)c1nc(-c2ccc(Br)cc2)n(-c2ccccc2C)n1 ZINC000008476589 570541662 /nfs/dbraw/zinc/54/16/62/570541662.db2.gz CSDSTTXVZFXMGU-UHFFFAOYSA-N 0 0 399.292 4.145 40 0 GIABRN COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C ZINC000225013456 570543440 /nfs/dbraw/zinc/54/34/40/570543440.db2.gz OFAORFPIBRKHKI-RTWAWAEBSA-N 0 0 398.576 4.061 40 0 GIABRN COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000225016250 570543610 /nfs/dbraw/zinc/54/36/10/570543610.db2.gz XCZZMCFFYLDKPC-ZDUSSCGKSA-N 0 0 398.322 4.114 40 0 GIABRN Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(I)c1 ZINC000225021510 570544062 /nfs/dbraw/zinc/54/40/62/570544062.db2.gz BBRXVYXKCUAXBD-UHFFFAOYSA-N 0 0 395.284 4.298 40 0 GIABRN Cn1c(=O)sc2cc(NC(=O)CSCc3ccc(Cl)cc3)ccc21 ZINC000225021484 570544163 /nfs/dbraw/zinc/54/41/63/570544163.db2.gz AFBPGZWEAFWFDR-UHFFFAOYSA-N 0 0 378.906 4.125 40 0 GIABRN CCOc1cccc(NC(=O)c2ccc(C)cc2I)c1 ZINC000225026646 570544175 /nfs/dbraw/zinc/54/41/75/570544175.db2.gz ZLCWOZPNYPGBIR-UHFFFAOYSA-N 0 0 381.213 4.251 40 0 GIABRN CN(c1ccccc1Br)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225050440 570545307 /nfs/dbraw/zinc/54/53/07/570545307.db2.gz DVNKPDWJILPRNH-UHFFFAOYSA-N 0 0 376.275 4.427 40 0 GIABRN CCOc1ccc(C(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1OCC ZINC000225063278 570546193 /nfs/dbraw/zinc/54/61/93/570546193.db2.gz JAOUJGNJQBHUNF-UHFFFAOYSA-N 0 0 387.476 4.210 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C ZINC000225083378 570547420 /nfs/dbraw/zinc/54/74/20/570547420.db2.gz GUHUGXXPRZAVRT-RTWAWAEBSA-N 0 0 394.559 4.486 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 ZINC000225091288 570548011 /nfs/dbraw/zinc/54/80/11/570548011.db2.gz DHYHQRUWHFKYOL-ROUUACIJSA-N 0 0 384.495 4.009 40 0 GIABRN COc1ccc2cc(S(=O)(=O)NCCc3ccc(Cl)cc3)ccc2c1 ZINC000225096261 570548496 /nfs/dbraw/zinc/54/84/96/570548496.db2.gz DXAVBGAQJSQSJW-UHFFFAOYSA-N 0 0 375.877 4.023 40 0 GIABRN CCCNC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000008477059 570549133 /nfs/dbraw/zinc/54/91/33/570549133.db2.gz GOQYXRKZXNOXQU-UHFFFAOYSA-N 0 0 375.259 4.381 40 0 GIABRN Cc1ccc2[nH]c(=O)c(-c3nc4ccc(C)cn4c3NC[C@@H]3CCCO3)cc2c1 ZINC000035288811 570551135 /nfs/dbraw/zinc/55/11/35/570551135.db2.gz XUBWWHIDPGHVRR-KRWDZBQOSA-N 0 0 388.471 4.051 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C ZINC000225127450 570551151 /nfs/dbraw/zinc/55/11/51/570551151.db2.gz LMXFFCBABPQSFG-HSZRJFAPSA-N 0 0 394.559 4.488 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 ZINC000225132078 570551333 /nfs/dbraw/zinc/55/13/33/570551333.db2.gz FJJUPMYHKXZMFY-OAQYLSRUSA-N 0 0 384.495 4.010 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 ZINC000225165678 570553202 /nfs/dbraw/zinc/55/32/02/570553202.db2.gz RIZSXOBMNBJPHS-QFIPXVFZSA-N 0 0 380.532 4.261 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C ZINC000225193732 570554814 /nfs/dbraw/zinc/55/48/14/570554814.db2.gz CSNCUYSUYPWNCS-QFIPXVFZSA-N 0 0 380.532 4.180 40 0 GIABRN O=C(OCc1ccccc1)C(=Cc1ccc(O)cc1)C(=O)OCc1ccccc1 ZINC000035586072 570555216 /nfs/dbraw/zinc/55/52/16/570555216.db2.gz DRVSKMWBDZEHDO-UHFFFAOYSA-N 0 0 388.419 4.262 40 0 GIABRN CCCc1ccc(OCCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 ZINC000225194254 570555397 /nfs/dbraw/zinc/55/53/97/570555397.db2.gz GCOOKQGIJNYJJK-SFHVURJKSA-N 0 0 381.516 4.480 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N[C@@H](C)C(C)C)c2)cc1 ZINC000225215520 570556910 /nfs/dbraw/zinc/55/69/10/570556910.db2.gz HDZQSKXIZZRGJP-AWEZNQCLSA-N 0 0 394.924 4.224 40 0 GIABRN O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036171651 570556913 /nfs/dbraw/zinc/55/69/13/570556913.db2.gz UDBCVCKYYYKJGJ-UHFFFAOYSA-N 0 0 376.378 4.196 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C ZINC000225238350 570558593 /nfs/dbraw/zinc/55/85/93/570558593.db2.gz OLBHHCXEONBNQA-MOPGFXCFSA-N 0 0 398.522 4.317 40 0 GIABRN Cc1ccc(C(=O)N2CCS/C2=C\c2nc(-c3ccccc3F)no2)cc1 ZINC000225243042 570558927 /nfs/dbraw/zinc/55/89/27/570558927.db2.gz HRECCHAQPBBXGJ-LDADJPATSA-N 0 0 381.432 4.372 40 0 GIABRN COc1ccc(OC[C@H](C)NC(=S)Nc2cccc(Br)c2)cc1 ZINC000225264359 570560309 /nfs/dbraw/zinc/56/03/09/570560309.db2.gz JHBIWJVPXOYKLN-LBPRGKRZSA-N 0 0 395.322 4.212 40 0 GIABRN COc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000225266441 570560580 /nfs/dbraw/zinc/56/05/80/570560580.db2.gz XBOMQLSGGZVLGR-GFCCVEGCSA-N 0 0 384.423 4.468 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C ZINC000225276274 570560939 /nfs/dbraw/zinc/56/09/39/570560939.db2.gz BFHHYYBRXVENEK-QFIPXVFZSA-N 0 0 398.522 4.319 40 0 GIABRN COc1cccc2c1N(C(=O)CSc1nnc(C)s1)C(C)(C)C=C2C ZINC000009938245 570562974 /nfs/dbraw/zinc/56/29/74/570562974.db2.gz OTYXPJGNRBXMDE-UHFFFAOYSA-N 0 0 375.519 4.176 40 0 GIABRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CC ZINC000225313105 570563930 /nfs/dbraw/zinc/56/39/30/570563930.db2.gz MFFKZEHAPHAHJG-JOCHJYFZSA-N 0 0 380.532 4.261 40 0 GIABRN Cc1cc2cc(C)c(C)cc2n2c(SCC(=O)NC3CCCCC3)nnc12 ZINC000001223234 570564658 /nfs/dbraw/zinc/56/46/58/570564658.db2.gz RMDMMQIHIBDEBG-UHFFFAOYSA-N 0 0 382.533 4.349 40 0 GIABRN O=C(CCc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2F)CC1 ZINC000225325512 570564729 /nfs/dbraw/zinc/56/47/29/570564729.db2.gz BNYQVKLENZDWBZ-UHFFFAOYSA-N 0 0 381.278 4.414 40 0 GIABRN Cc1cc2cc(C)c(C)cc2n2c(SCC(=O)N3CCCC[C@@H]3C)nnc12 ZINC000001223245 570565052 /nfs/dbraw/zinc/56/50/52/570565052.db2.gz XETPKLBDGGRNLI-INIZCTEOSA-N 0 0 382.533 4.301 40 0 GIABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000225341205 570565994 /nfs/dbraw/zinc/56/59/94/570565994.db2.gz GKKQKUYTOBFHNK-KRWDZBQOSA-N 0 0 398.934 4.335 40 0 GIABRN CCOc1ccccc1N[C@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O ZINC000036635884 570566539 /nfs/dbraw/zinc/56/65/39/570566539.db2.gz BRGYJGIHKRUDTD-AWEZNQCLSA-N 0 0 379.243 4.136 40 0 GIABRN COc1cc(C)c(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c(C)c1 ZINC000225361776 570567162 /nfs/dbraw/zinc/56/71/62/570567162.db2.gz SCMBOCLZLCMDNE-GOSISDBHSA-N 0 0 389.517 4.201 40 0 GIABRN COc1ccc(NC(=S)NCCSCc2c(F)cccc2Cl)cn1 ZINC000225370111 570568008 /nfs/dbraw/zinc/56/80/08/570568008.db2.gz SCTOIRPDQCOKLF-UHFFFAOYSA-N 0 0 385.917 4.103 40 0 GIABRN O=C(CSc1ccc(-c2nc3ccccc3[nH]2)cn1)N1CCc2ccccc21 ZINC000001329755 570568038 /nfs/dbraw/zinc/56/80/38/570568038.db2.gz QHTXQKGDZBPPFF-UHFFFAOYSA-N 0 0 386.480 4.306 40 0 GIABRN CC(C)(C)c1ccccc1OCC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000225380724 570568220 /nfs/dbraw/zinc/56/82/20/570568220.db2.gz DIKXHFYIKRSVSG-UHFFFAOYSA-N 0 0 381.516 4.228 40 0 GIABRN Cc1nc2cc(-c3cccs3)nn2c(NCc2ccc3c(c2)OCO3)c1C ZINC000001332147 570568674 /nfs/dbraw/zinc/56/86/74/570568674.db2.gz DUAAWYDVPGVZSJ-UHFFFAOYSA-N 0 0 378.457 4.415 40 0 GIABRN Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1NS(=O)(=O)c1ccccc1 ZINC000010330673 570569238 /nfs/dbraw/zinc/56/92/38/570569238.db2.gz XIMYNYFRZSFQDT-KRWDZBQOSA-N 0 0 394.496 4.287 40 0 GIABRN CCC(=O)Nc1cccc(NC(=O)CSc2nc(CC)nc3ccccc32)c1 ZINC000001332572 570569376 /nfs/dbraw/zinc/56/93/76/570569376.db2.gz GDWWYULDUBFASB-UHFFFAOYSA-N 0 0 394.500 4.272 40 0 GIABRN Cc1cccc2cc3c(N)c(C(=O)Nc4ccc5c(c4)OCO5)sc3nc12 ZINC000001342872 570571452 /nfs/dbraw/zinc/57/14/52/570571452.db2.gz KHIPZROBDDUSJX-UHFFFAOYSA-N 0 0 377.425 4.321 40 0 GIABRN Cc1ccccc1NC(=O)NC1(C(=O)N2CCc3ccccc32)CCCCC1 ZINC000001344825 570571730 /nfs/dbraw/zinc/57/17/30/570571730.db2.gz YHQAOZACPRURCF-UHFFFAOYSA-N 0 0 377.488 4.409 40 0 GIABRN Cc1ccc(CN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)C(F)(F)F)cc1 ZINC000001358593 570574098 /nfs/dbraw/zinc/57/40/98/570574098.db2.gz STDMZHINUJYSLE-UHFFFAOYSA-N 0 0 388.389 4.236 40 0 GIABRN CC(C)Cn1c2ccccc2nc1N1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000001370980 570574872 /nfs/dbraw/zinc/57/48/72/570574872.db2.gz QBHTUAJZNQZEGR-OUKQBFOZSA-N 0 0 388.515 4.054 40 0 GIABRN CCCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccccn1 ZINC000001362597 570576774 /nfs/dbraw/zinc/57/67/74/570576774.db2.gz IQQXRRZAQRJKTF-UHFFFAOYSA-N 0 0 395.532 4.352 40 0 GIABRN COc1ccc(-c2noc([C@H]3CCCN(C(=O)Nc4cccc(F)c4)C3)n2)cc1 ZINC000001362885 570577295 /nfs/dbraw/zinc/57/72/95/570577295.db2.gz LHAYUVGROSEIGY-HNNXBMFYSA-N 0 0 396.422 4.296 40 0 GIABRN CCOc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(C)cc3)C3CC3)cc2c1 ZINC000001364854 570578511 /nfs/dbraw/zinc/57/85/11/570578511.db2.gz PASPFDGLECUHSJ-UHFFFAOYSA-N 0 0 376.456 4.040 40 0 GIABRN Cc1nccn1-c1ccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 ZINC000225480517 570578662 /nfs/dbraw/zinc/57/86/62/570578662.db2.gz FARDWQIWDTYSER-QGZVFWFLSA-N 0 0 389.499 4.143 40 0 GIABRN Cc1ccccc1CN(C(=O)Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)C ZINC000225488110 570579062 /nfs/dbraw/zinc/57/90/62/570579062.db2.gz QRDWVSDNWRJRLZ-KRWDZBQOSA-N 0 0 386.923 4.133 40 0 GIABRN CCC(=O)N(Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001366411 570579262 /nfs/dbraw/zinc/57/92/62/570579262.db2.gz HVGBWIQTVQXOAM-UHFFFAOYSA-N 0 0 378.472 4.092 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 ZINC000225488896 570579466 /nfs/dbraw/zinc/57/94/66/570579466.db2.gz PBDJVIRAKFSZOB-SIKLNZKXSA-N 0 0 396.531 4.096 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000225492291 570579767 /nfs/dbraw/zinc/57/97/67/570579767.db2.gz VFDMYVTYTDMBJW-SIKLNZKXSA-N 0 0 380.532 4.260 40 0 GIABRN CCOC(=O)c1cc(NC(=O)CCc2ccc(OC)c(OC)c2)ccc1Cl ZINC000038755163 570582236 /nfs/dbraw/zinc/58/22/36/570582236.db2.gz OPVLYNWRFWRCPW-UHFFFAOYSA-N 0 0 391.851 4.105 40 0 GIABRN CCc1ccc(OCC(=O)N(C)Cc2ccc(C)cc2)c(Br)c1 ZINC000038755340 570582242 /nfs/dbraw/zinc/58/22/42/570582242.db2.gz KRMYOJRLELWUSL-UHFFFAOYSA-N 0 0 376.294 4.357 40 0 GIABRN CCSc1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 ZINC000038755607 570582303 /nfs/dbraw/zinc/58/23/03/570582303.db2.gz WIMOMGXIRYBQHL-UHFFFAOYSA-N 0 0 390.530 4.035 40 0 GIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Br)cc1F ZINC000038756469 570582669 /nfs/dbraw/zinc/58/26/69/570582669.db2.gz ACBBFOARPVRKLR-MRXNPFEDSA-N 0 0 382.229 4.393 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225527449 570583919 /nfs/dbraw/zinc/58/39/19/570583919.db2.gz KNJWXFQPFHSCRI-KRWDZBQOSA-N 0 0 386.923 4.133 40 0 GIABRN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000225535121 570585500 /nfs/dbraw/zinc/58/55/00/570585500.db2.gz BLZCYWNJOKFUSV-SNVBAGLBSA-N 0 0 377.828 4.404 40 0 GIABRN O=C(NCCSCc1cccc(Cl)c1)c1ccc(Cn2ccnc2)cc1 ZINC000038848505 570586867 /nfs/dbraw/zinc/58/68/67/570586867.db2.gz XCNBNPSLBVQDMC-UHFFFAOYSA-N 0 0 385.920 4.248 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=S)NCCCc2ccccc2OC)c1 ZINC000225551016 570586952 /nfs/dbraw/zinc/58/69/52/570586952.db2.gz OAEKTTANQYSULG-UHFFFAOYSA-N 0 0 386.517 4.100 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 ZINC000225556182 570587879 /nfs/dbraw/zinc/58/78/79/570587879.db2.gz OOCCYUDVECCUFI-DENIHFKCSA-N 0 0 396.531 4.096 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F ZINC000225556148 570587920 /nfs/dbraw/zinc/58/79/20/570587920.db2.gz ZCERHIVKMDADDT-GCJKJVERSA-N 0 0 398.522 4.399 40 0 GIABRN COc1ccc(CCCNC(=S)Nc2ccc(OC)c3ncccc23)cc1 ZINC000225558271 570588058 /nfs/dbraw/zinc/58/80/58/570588058.db2.gz KNGNWFNTZGSTJL-UHFFFAOYSA-N 0 0 381.501 4.171 40 0 GIABRN COC(=O)c1cccc(NC(=S)NCCCc2ccc(OC(C)C)cc2)c1 ZINC000225569296 570589450 /nfs/dbraw/zinc/58/94/50/570589450.db2.gz YYTFVNNYXGUNDQ-UHFFFAOYSA-N 0 0 386.517 4.180 40 0 GIABRN O=C(C1CCN(Cc2ccc(Cl)cc2F)CC1)N1CCc2ccccc2C1 ZINC000225575952 570590356 /nfs/dbraw/zinc/59/03/56/570590356.db2.gz RRNALLFNVGGYFN-UHFFFAOYSA-N 0 0 386.898 4.276 40 0 GIABRN COc1ccc(NC(=S)NCCCSCc2ccccc2)c(OC)c1 ZINC000225596974 570592215 /nfs/dbraw/zinc/59/22/15/570592215.db2.gz HLUDNJVDSWSBKT-UHFFFAOYSA-N 0 0 376.547 4.314 40 0 GIABRN COc1ccc(NC(=S)NCCCSCc2ccco2)c2cccnc12 ZINC000225595586 570592383 /nfs/dbraw/zinc/59/23/83/570592383.db2.gz CCKXQRBKMXHKEN-UHFFFAOYSA-N 0 0 387.530 4.446 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)Cc1cccc(Br)c1 ZINC000225614837 570594388 /nfs/dbraw/zinc/59/43/88/570594388.db2.gz QZWLGJRPEDAEGT-CYBMUJFWSA-N 0 0 389.293 4.159 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C ZINC000225667443 570600653 /nfs/dbraw/zinc/60/06/53/570600653.db2.gz OWAJRUPLBGOSFC-GCJKJVERSA-N 0 0 398.522 4.399 40 0 GIABRN CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C(=O)OC ZINC000225681208 570602502 /nfs/dbraw/zinc/60/25/02/570602502.db2.gz KCYISCCZZANDDU-UHFFFAOYSA-N 0 0 385.435 4.462 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)cc1C ZINC000225687941 570603463 /nfs/dbraw/zinc/60/34/63/570603463.db2.gz IZQPZKNJBSDBOU-IBGZPJMESA-N 0 0 398.522 4.175 40 0 GIABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C ZINC000225702375 570605529 /nfs/dbraw/zinc/60/55/29/570605529.db2.gz MSJLXYUONMSBBM-UHFFFAOYSA-N 0 0 376.503 4.062 40 0 GIABRN Cc1onc(C(C)C)c1C(=O)N1CCC[C@@H](c2nc3ccccc3cc2N)C1 ZINC000012088073 570606564 /nfs/dbraw/zinc/60/65/64/570606564.db2.gz WPNPZRGQMRUCBS-MRXNPFEDSA-N 0 0 378.476 4.257 40 0 GIABRN CCc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C ZINC000225708049 570607060 /nfs/dbraw/zinc/60/70/60/570607060.db2.gz IUXFVUKOPNSMJL-UHFFFAOYSA-N 0 0 390.530 4.316 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCCc2cccc3ccccc32)c(C)c1 ZINC000225710949 570607214 /nfs/dbraw/zinc/60/72/14/570607214.db2.gz UGWODKVMZPFOJB-UHFFFAOYSA-N 0 0 383.513 4.376 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCc1ccccc1 ZINC000225721288 570608964 /nfs/dbraw/zinc/60/89/64/570608964.db2.gz PUAFJYXAMFSWBC-QFIPXVFZSA-N 0 0 380.532 4.260 40 0 GIABRN O=C(Cn1ccc(=O)c2cc(Cl)ccc21)N1CCC(Cc2ccccc2)CC1 ZINC000225724074 570609259 /nfs/dbraw/zinc/60/92/59/570609259.db2.gz JWDSZHAGVGNPGN-UHFFFAOYSA-N 0 0 394.902 4.136 40 0 GIABRN COc1ccc(CCNc2c(-c3ccc(F)cc3)nc3cnccn32)cc1OC ZINC000012113751 570609684 /nfs/dbraw/zinc/60/96/84/570609684.db2.gz HELVZFSNLRJLQB-UHFFFAOYSA-N 0 0 392.434 4.207 40 0 GIABRN C[C@H](NC(=O)[C@@H](c1ccccc1)C1CCCCC1)c1nc(-c2cccnc2)n[nH]1 ZINC000012114741 570609974 /nfs/dbraw/zinc/60/99/74/570609974.db2.gz RKSZLFSJGIKTHJ-JXFKEZNVSA-N 0 0 389.503 4.408 40 0 GIABRN C[C@H](NC(=O)Cn1ccc(=O)c2ccc(Cl)cc21)c1ccc(Cl)cc1 ZINC000225737339 570611113 /nfs/dbraw/zinc/61/11/13/570611113.db2.gz OOHSUXJNOWMGAA-LBPRGKRZSA-N 0 0 375.255 4.186 40 0 GIABRN CCn1c2ccccc2nc1N1CCC(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000012116386 570611087 /nfs/dbraw/zinc/61/10/87/570611087.db2.gz PQLZSRNLZLSMLW-UHFFFAOYSA-N 0 0 384.430 4.190 40 0 GIABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)c1 ZINC000225743864 570612593 /nfs/dbraw/zinc/61/25/93/570612593.db2.gz ZFVPGMWWGKFLIO-SFHVURJKSA-N 0 0 377.488 4.388 40 0 GIABRN CCOc1ccc(CCC(=O)Nc2nnc(SC(C)C)s2)cc1OCC ZINC000225757430 570613784 /nfs/dbraw/zinc/61/37/84/570613784.db2.gz AJGFEEXZJRCQBZ-UHFFFAOYSA-N 0 0 395.550 4.407 40 0 GIABRN COc1cc2cc(CNc3ccc(OC(F)(F)F)cc3)c(=O)[nH]c2cc1OC ZINC000012144304 570615402 /nfs/dbraw/zinc/61/54/02/570615402.db2.gz XAPHKCQIBMDXQD-UHFFFAOYSA-N 0 0 394.349 4.056 40 0 GIABRN C[C@H](COc1ccccc1)NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000225784314 570617170 /nfs/dbraw/zinc/61/71/70/570617170.db2.gz PEOPJHMSTDQTJC-QGZVFWFLSA-N 0 0 397.544 4.067 40 0 GIABRN Cc1cccc(C2(O)CCN(C(=O)CSc3nccc4ccccc43)CC2)c1 ZINC000012148706 570617585 /nfs/dbraw/zinc/61/75/85/570617585.db2.gz YLFVYOXFNSZERS-UHFFFAOYSA-N 0 0 392.524 4.146 40 0 GIABRN CCCCNC(=S)N(Cc1ccco1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000004132587 570617675 /nfs/dbraw/zinc/61/76/75/570617675.db2.gz MEYZVLPATXQDAL-UHFFFAOYSA-N 0 0 383.517 4.106 40 0 GIABRN CCCCNC(=S)N(Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004132946 570617836 /nfs/dbraw/zinc/61/78/36/570617836.db2.gz XDQHZAVSQUFRDJ-UHFFFAOYSA-N 0 0 397.544 4.415 40 0 GIABRN COC(=O)c1c2c(sc1NC(=O)C1(c3ccccc3)CCOCC1)CCCC2 ZINC000225798659 570618536 /nfs/dbraw/zinc/61/85/36/570618536.db2.gz QCHUJCRSVHYLFR-UHFFFAOYSA-N 0 0 399.512 4.100 40 0 GIABRN CCOc1cc(CCC(=O)N[C@@H]2[C@@H](c3ccc(OC)cc3)[C@H]3CCCC[C@@H]32)on1 ZINC000012162439 570618882 /nfs/dbraw/zinc/61/88/82/570618882.db2.gz CVEIZZRFKMCLQU-ZZTDLJEGSA-N 0 0 398.503 4.103 40 0 GIABRN CCCCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1cccnc1 ZINC000004161407 570620199 /nfs/dbraw/zinc/62/01/99/570620199.db2.gz OOGWFWTUUBPEKR-UHFFFAOYSA-N 0 0 395.532 4.488 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)CCc3ccc(OC)c(C)c3)s2)cc1 ZINC000225812067 570620177 /nfs/dbraw/zinc/62/01/77/570620177.db2.gz GWZLKHHJLBCIHD-UHFFFAOYSA-N 0 0 383.473 4.102 40 0 GIABRN COc1cccc(-c2noc(CCC(=O)N[C@@H](C)c3ccc(Cl)cc3)n2)c1 ZINC000225825375 570622217 /nfs/dbraw/zinc/62/22/17/570622217.db2.gz USVIBFQWENOQBK-ZDUSSCGKSA-N 0 0 385.851 4.209 40 0 GIABRN CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cccc(C(F)(F)F)c1O2 ZINC000225827259 570622439 /nfs/dbraw/zinc/62/24/39/570622439.db2.gz YTHXUNYDWIOMCN-UHFFFAOYSA-N 0 0 385.382 4.440 40 0 GIABRN CCOC(=O)c1cc(NC(=O)C2(OCC)CCCC2)ccc1OCC(C)C ZINC000225828820 570622892 /nfs/dbraw/zinc/62/28/92/570622892.db2.gz SECVSGKUDJENSR-UHFFFAOYSA-N 0 0 377.481 4.186 40 0 GIABRN CCCOc1ccc(NC(=O)C2(OCC)CCCCC2)cc1C(=O)OCC ZINC000225829705 570622900 /nfs/dbraw/zinc/62/29/00/570622900.db2.gz XMDXCLPJYYLCJU-UHFFFAOYSA-N 0 0 377.481 4.330 40 0 GIABRN Cc1nnc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c32)s1 ZINC000004215412 570623515 /nfs/dbraw/zinc/62/35/15/570623515.db2.gz DNARZOJAFASCQT-UHFFFAOYSA-N 0 0 399.526 4.249 40 0 GIABRN Cn1ccnc1-c1cnc(NCc2ccncc2)nc1-c1ccc(Cl)cc1 ZINC000012221777 570627991 /nfs/dbraw/zinc/62/79/91/570627991.db2.gz RQXWLMJUGUBFPE-UHFFFAOYSA-N 0 0 376.851 4.205 40 0 GIABRN Cc1ncccc1-c1cc2cccnc2n1CCC(=O)N1CCC[C@H](C)[C@H]1C ZINC000012222788 570628512 /nfs/dbraw/zinc/62/85/12/570628512.db2.gz PMBVCMHNEJEQGD-FUHWJXTLSA-N 0 0 376.504 4.444 40 0 GIABRN Fc1ccc(N2CCOCC2)c(NCc2cccc(OCc3cccnc3)c2)c1 ZINC000012238350 570629443 /nfs/dbraw/zinc/62/94/43/570629443.db2.gz JEURCLVIRZFYIX-UHFFFAOYSA-N 0 0 393.462 4.248 40 0 GIABRN CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)CCc2ccccc2)C1 ZINC000012238437 570629465 /nfs/dbraw/zinc/62/94/65/570629465.db2.gz IKCWWJCMSQTCEV-FQEVSTJZSA-N 0 0 386.499 4.301 40 0 GIABRN CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 ZINC000225882674 570630040 /nfs/dbraw/zinc/63/00/40/570630040.db2.gz MLDSLPDAZGSVKO-MRXNPFEDSA-N 0 0 380.488 4.111 40 0 GIABRN CCCC(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 ZINC000012242060 570630553 /nfs/dbraw/zinc/63/05/53/570630553.db2.gz XYJVEYUYVOKWBU-UHFFFAOYSA-N 0 0 383.517 4.262 40 0 GIABRN CCCOC1(C(=O)Nc2cnc(OCCOCC)c(C)c2)CCCCCC1 ZINC000225910321 570632811 /nfs/dbraw/zinc/63/28/11/570632811.db2.gz QFBNQWXCNMQOEN-UHFFFAOYSA-N 0 0 378.513 4.263 40 0 GIABRN CCCOc1ccccc1CCCNC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000044851647 570636178 /nfs/dbraw/zinc/63/61/78/570636178.db2.gz TVRLYDODCXTFIG-UHFFFAOYSA-N 0 0 377.488 4.083 40 0 GIABRN Cn1cccc1CN(Cc1ccccc1)C(=O)c1ccc2[nH]c(Cl)nc2c1 ZINC000225982457 570637704 /nfs/dbraw/zinc/63/77/04/570637704.db2.gz LOSGSMLYBYTBNS-UHFFFAOYSA-N 0 0 378.863 4.397 40 0 GIABRN COc1ccc(CN(C)C(=O)[C@H](C)Oc2cccc3ccccc32)cc1OC ZINC000044880332 570638065 /nfs/dbraw/zinc/63/80/65/570638065.db2.gz BCORJLJEJCOHFX-INIZCTEOSA-N 0 0 379.456 4.283 40 0 GIABRN Cc1cc(N2CCc3ccccc3C2)nc(NC(=S)NC2CCCCCC2)n1 ZINC000226010984 570638577 /nfs/dbraw/zinc/63/85/77/570638577.db2.gz VFVTXAPXHPQAMN-UHFFFAOYSA-N 0 0 395.576 4.357 40 0 GIABRN Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc(NC(=S)NC2CCCCCC2)n1 ZINC000226010950 570638621 /nfs/dbraw/zinc/63/86/21/570638621.db2.gz RYBMYHGLMXHLTF-HUUCEWRRSA-N 0 0 375.586 4.277 40 0 GIABRN FC(F)(F)c1cc(N2CCCCCC2)nc(NC(=S)NC2CCCC2)n1 ZINC000226007100 570638679 /nfs/dbraw/zinc/63/86/79/570638679.db2.gz VGBKXONDXICQQE-UHFFFAOYSA-N 0 0 387.475 4.105 40 0 GIABRN Cc1cc(C)cc(NC(=S)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 ZINC000004857732 570638811 /nfs/dbraw/zinc/63/88/11/570638811.db2.gz LDKMBMUQHKGYFB-UHFFFAOYSA-N 0 0 385.508 4.034 40 0 GIABRN Cc1cccc2cc(C(=O)Nc3ccc(Br)cc3F)c(=O)oc12 ZINC000226034783 570639018 /nfs/dbraw/zinc/63/90/18/570639018.db2.gz FOFSTCKUHRCWRM-UHFFFAOYSA-N 0 0 376.181 4.255 40 0 GIABRN CCCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccncc1 ZINC000004860963 570640910 /nfs/dbraw/zinc/64/09/10/570640910.db2.gz XGXSHGZRFIDXJU-INIZCTEOSA-N 0 0 395.532 4.486 40 0 GIABRN CNc1nc(-c2ccc(OC)c(NC(=O)c3cc(OC)cc(OC)c3)c2)cs1 ZINC000226093209 570641287 /nfs/dbraw/zinc/64/12/87/570641287.db2.gz FSTUPAONAGAAOZ-UHFFFAOYSA-N 0 0 399.472 4.130 40 0 GIABRN O=C(NC1CCN(C(=S)Nc2ccccc2Cl)CC1)c1ccc(F)cc1 ZINC000004888674 570643547 /nfs/dbraw/zinc/64/35/47/570643547.db2.gz SVKMAEVSCUFTST-UHFFFAOYSA-N 0 0 391.899 4.070 40 0 GIABRN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000033565866 570645546 /nfs/dbraw/zinc/64/55/46/570645546.db2.gz KSDPIXBVRZCMOK-OAQYLSRUSA-N 0 0 380.488 4.499 40 0 GIABRN COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(OC)c1OC ZINC000045202885 570646761 /nfs/dbraw/zinc/64/67/61/570646761.db2.gz AAKZPTAXKRMPOG-GFCCVEGCSA-N 0 0 395.908 4.163 40 0 GIABRN CC(C)c1ccc(NC(=S)NCc2ccccc2CN2CCCC2=O)cc1 ZINC000045704377 570648130 /nfs/dbraw/zinc/64/81/30/570648130.db2.gz CPJNMOZLNWMWSB-UHFFFAOYSA-N 0 0 381.545 4.419 40 0 GIABRN Nc1c2cc3ccccc3nc2sc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000004929833 570649317 /nfs/dbraw/zinc/64/93/17/570649317.db2.gz NCKUKITZCPCDMK-UHFFFAOYSA-N 0 0 377.425 4.055 40 0 GIABRN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccccc1C ZINC000004973334 570655436 /nfs/dbraw/zinc/65/54/36/570655436.db2.gz JSOJXDXXRVIHJC-UHFFFAOYSA-N 0 0 389.411 4.224 40 0 GIABRN CCc1cccc(NC(=O)C(=O)NCCOc2ccc(-c3ccccc3)cc2)c1 ZINC000059417403 570655972 /nfs/dbraw/zinc/65/59/72/570655972.db2.gz TVJCTRMYDFPRQY-UHFFFAOYSA-N 0 0 388.467 4.050 40 0 GIABRN O=C(NCCOc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1Cl ZINC000059417405 570656138 /nfs/dbraw/zinc/65/61/38/570656138.db2.gz MIQTYNWZPIKGTR-UHFFFAOYSA-N 0 0 394.858 4.141 40 0 GIABRN O=C1c2ccccc2C[C@@H]1Sc1nnc(-c2ccco2)c(-c2ccco2)n1 ZINC000005059548 570658610 /nfs/dbraw/zinc/65/86/10/570658610.db2.gz JUORODSGSQREAY-INIZCTEOSA-N 0 0 375.409 4.291 40 0 GIABRN CCOC(=O)C1C(c2ccccc2)=NC(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000059503007 570659482 /nfs/dbraw/zinc/65/94/82/570659482.db2.gz LMNCJJJMXDOZNS-QGZVFWFLSA-N 0 0 390.361 4.034 40 0 GIABRN CCOC(=O)C1C(c2ccccc2)=NC(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000059503008 570659505 /nfs/dbraw/zinc/65/95/05/570659505.db2.gz LMNCJJJMXDOZNS-KRWDZBQOSA-N 0 0 390.361 4.034 40 0 GIABRN Cc1ccc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccccc2C)cc1 ZINC000059502210 570659628 /nfs/dbraw/zinc/65/96/28/570659628.db2.gz SHIZBNXOWPPWQF-UHFFFAOYSA-N 0 0 384.435 4.204 40 0 GIABRN C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000005324591 570661985 /nfs/dbraw/zinc/66/19/85/570661985.db2.gz LSELYNHNNZHEKN-BRXULGCHSA-N 0 0 377.485 4.297 40 0 GIABRN CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000049336436 570662880 /nfs/dbraw/zinc/66/28/80/570662880.db2.gz GQWJIGBPYGRMFP-UHFFFAOYSA-N 0 0 378.650 4.067 40 0 GIABRN Cc1ccccc1NC(=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000005626146 570665556 /nfs/dbraw/zinc/66/55/56/570665556.db2.gz LGMFCSSBJIIDJV-UHFFFAOYSA-N 0 0 398.466 4.466 40 0 GIABRN Cc1cc(Cl)cc(Br)c1OCc1nnc([C@H]2CCCOC2)o1 ZINC000643651847 570670509 /nfs/dbraw/zinc/67/05/09/570670509.db2.gz WXUXAGHDZCECGX-JTQLQIEISA-N 0 0 387.661 4.267 40 0 GIABRN O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2ccccc2Cl)cs1 ZINC000006681696 570671933 /nfs/dbraw/zinc/67/19/33/570671933.db2.gz YEWHJHTUDWZDDO-UHFFFAOYSA-N 0 0 392.889 4.455 40 0 GIABRN O=C(NCc1cccnc1)c1ccc2nc(-c3ccoc3)c(-c3ccoc3)nc2c1 ZINC000006678116 570672709 /nfs/dbraw/zinc/67/27/09/570672709.db2.gz JBZANCBYJLNCEO-UHFFFAOYSA-N 0 0 396.406 4.475 40 0 GIABRN COc1cccc([C@@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)c1 ZINC000006679175 570673617 /nfs/dbraw/zinc/67/36/17/570673617.db2.gz PYDDQNXLVTYWPI-DJJJIMSYSA-N 0 0 397.475 4.492 40 0 GIABRN CC1CCN(S(=O)(=O)c2csc(C(=O)Nc3cccc(Cl)c3)c2)CC1 ZINC000006680676 570674411 /nfs/dbraw/zinc/67/44/11/570674411.db2.gz BWLRTYFRDRZGAG-UHFFFAOYSA-N 0 0 398.937 4.074 40 0 GIABRN Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cs2)c1 ZINC000006680951 570674832 /nfs/dbraw/zinc/67/48/32/570674832.db2.gz XQASZXKQBZQIHD-AWEZNQCLSA-N 0 0 392.546 4.038 40 0 GIABRN O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCCCCC2)cs1 ZINC000006680737 570674910 /nfs/dbraw/zinc/67/49/10/570674910.db2.gz ZDPWIBSVZCXLPC-UHFFFAOYSA-N 0 0 398.937 4.219 40 0 GIABRN O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)N1CCCCC1 ZINC000408772580 570682242 /nfs/dbraw/zinc/68/22/42/570682242.db2.gz DBGRSRFZTASENL-QFIPXVFZSA-N 0 0 380.513 4.087 40 0 GIABRN CCOc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OC ZINC000409007759 570692790 /nfs/dbraw/zinc/69/27/90/570692790.db2.gz REKBZNBENHQGLD-RGEXLXHISA-N 0 0 383.469 4.373 40 0 GIABRN CCOc1ccc(C(=O)NCC2(c3ccccc3C)CCOCC2)cc1OCC ZINC000055760601 570698743 /nfs/dbraw/zinc/69/87/43/570698743.db2.gz SHTBIORZALQUBK-UHFFFAOYSA-N 0 0 397.515 4.271 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3cccnc3)N21 ZINC000260759289 570702915 /nfs/dbraw/zinc/70/29/15/570702915.db2.gz FVAZVMPPMJHMDD-YSGRDPCXSA-N 0 0 375.501 4.247 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(OC)c(C)c3OC)N21 ZINC000260769226 570703472 /nfs/dbraw/zinc/70/34/72/570703472.db2.gz KNQAIXIYGHGFLO-ZMYBRWDISA-N 0 0 383.517 4.387 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(OC)c(OC)cc3C)N21 ZINC000260766344 570704307 /nfs/dbraw/zinc/70/43/07/570704307.db2.gz JRSDBXNZBZJNKR-XMCHAPAWSA-N 0 0 383.517 4.387 40 0 GIABRN Cc1ccccc1-c1ncc(CN2CCC(O)(c3ccccc3F)CC2)cn1 ZINC000057823242 570704501 /nfs/dbraw/zinc/70/45/01/570704501.db2.gz IDAHTKCQDKDBCS-UHFFFAOYSA-N 0 0 377.463 4.075 40 0 GIABRN CC(C)c1ccc(N(CC(=O)Nc2cccc3ccccc32)S(C)(=O)=O)cc1 ZINC000000654379 570708734 /nfs/dbraw/zinc/70/87/34/570708734.db2.gz AJPPFVHEQKIVJW-UHFFFAOYSA-N 0 0 396.512 4.368 40 0 GIABRN Cc1cc(Br)c(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1C ZINC000000980873 570711228 /nfs/dbraw/zinc/71/12/28/570711228.db2.gz PTGLQAVWZZDGGN-HNNXBMFYSA-N 0 0 397.313 4.404 40 0 GIABRN Cc1cc(C)cc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 ZINC000005184654 570731427 /nfs/dbraw/zinc/73/14/27/570731427.db2.gz RMOWCEPDEQMSNI-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN COc1ccc(OCc2nnc(SCc3ccccc3Cl)n2C)cc1 ZINC000005712881 570734538 /nfs/dbraw/zinc/73/45/38/570734538.db2.gz GEOFUJDWLVVPSX-UHFFFAOYSA-N 0 0 375.881 4.348 40 0 GIABRN C[C@@H](NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000006084152 570737712 /nfs/dbraw/zinc/73/77/12/570737712.db2.gz IWSUBQOIHMWWLI-OLZOCXBDSA-N 0 0 396.270 4.181 40 0 GIABRN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2F)n1C ZINC000006234190 570740014 /nfs/dbraw/zinc/74/00/14/570740014.db2.gz AGDMFBGVMYMIER-UHFFFAOYSA-N 0 0 390.871 4.314 40 0 GIABRN Cc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC000006235006 570740018 /nfs/dbraw/zinc/74/00/18/570740018.db2.gz QRHWHLBCRDBKOH-UHFFFAOYSA-N 0 0 394.496 4.034 40 0 GIABRN CSC1=NN2[C@H](c3ccc(Cl)cc3Cl)Nc3ccccc3[C@@H]2C(=O)N1 ZINC000588229304 570746388 /nfs/dbraw/zinc/74/63/88/570746388.db2.gz UEVMHTGGDAVZAO-HUUCEWRRSA-N 0 0 393.299 4.225 40 0 GIABRN CCOc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000006962718 570753723 /nfs/dbraw/zinc/75/37/23/570753723.db2.gz FSDUALAQRFZVGI-UHFFFAOYSA-N 0 0 386.407 4.138 40 0 GIABRN CC[C@@](Br)(C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)CC ZINC000096518728 570754557 /nfs/dbraw/zinc/75/45/57/570754557.db2.gz UPSRNLRVOYOLQO-LBPRGKRZSA-N 0 0 388.110 4.112 40 0 GIABRN CCc1ccccc1N1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O ZINC000007881978 570762806 /nfs/dbraw/zinc/76/28/06/570762806.db2.gz CMMIQXABUDIEFA-AWEZNQCLSA-N 0 0 376.378 4.259 40 0 GIABRN Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3C(F)(F)F)CC2=O)c1C ZINC000007882414 570762913 /nfs/dbraw/zinc/76/29/13/570762913.db2.gz LETBVSIDDQNIDE-AWEZNQCLSA-N 0 0 376.378 4.314 40 0 GIABRN O=C(Nc1ccc(NC(=O)C(F)(F)F)cc1Br)c1ccccc1 ZINC000008071329 570764156 /nfs/dbraw/zinc/76/41/56/570764156.db2.gz HKPXNFOGJRGBAO-UHFFFAOYSA-N 0 0 387.155 4.202 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000008207719 570765356 /nfs/dbraw/zinc/76/53/56/570765356.db2.gz CRZMAJXQHNKFMH-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CCCCCC3)c2)cc1 ZINC000008033384 570765444 /nfs/dbraw/zinc/76/54/44/570765444.db2.gz PXDUUCUVFROHJE-UHFFFAOYSA-N 0 0 386.517 4.248 40 0 GIABRN CCOc1c(Cl)cc(Cl)cc1CNn1c(=S)[nH]nc1-c1ccncc1 ZINC000008253445 570766099 /nfs/dbraw/zinc/76/60/99/570766099.db2.gz WQNOZVJDAVFQOI-UHFFFAOYSA-N 0 0 396.303 4.452 40 0 GIABRN COC(=O)C1CCN(C(=O)/C(=C/c2ccccc2Cl)c2ccccc2)CC1 ZINC000013673111 570771303 /nfs/dbraw/zinc/77/13/03/570771303.db2.gz QCZNJSXWBUUQSU-XDJHFCHBSA-N 0 0 383.875 4.292 40 0 GIABRN CC(C)COc1ccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)cc1 ZINC000008560888 570771301 /nfs/dbraw/zinc/77/13/01/570771301.db2.gz HYMZXILUUDQSOT-UHFFFAOYSA-N 0 0 393.472 4.140 40 0 GIABRN O=C([O-])C1(Oc2ccc(C(F)(F)F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000409432598 570775305 /nfs/dbraw/zinc/77/53/05/570775305.db2.gz WOUWSYJGNJVGBB-UHFFFAOYSA-N 0 0 379.378 4.204 40 0 GIABRN CCCCOC(=O)c1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000009695012 570776694 /nfs/dbraw/zinc/77/66/94/570776694.db2.gz XQJHNWAGUVCVRV-UHFFFAOYSA-N 0 0 381.881 4.239 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(F)cc3)ccc2C)cc1 ZINC000010314866 570787770 /nfs/dbraw/zinc/78/77/70/570787770.db2.gz PNAPQFGWZKZKQY-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN CC(C)c1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)cc1 ZINC000011694847 570798241 /nfs/dbraw/zinc/79/82/41/570798241.db2.gz FEPAYXGJEZOWOQ-XPGWFJOJSA-N 0 0 375.476 4.060 40 0 GIABRN Cc1cnc(Nc2cc([C@@H]3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)s1 ZINC000299856361 570831748 /nfs/dbraw/zinc/83/17/48/570831748.db2.gz BOWCRFQTJJGHST-QGZVFWFLSA-N 0 0 393.516 4.313 40 0 GIABRN Cc1cccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C2CCCCC2)c1 ZINC000013571215 570850838 /nfs/dbraw/zinc/85/08/38/570850838.db2.gz PRKQBVQZSNFNAS-UHFFFAOYSA-N 0 0 375.472 4.207 40 0 GIABRN CC(C)(C)OC(=O)N1CCC(Oc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000044029841 570856680 /nfs/dbraw/zinc/85/66/80/570856680.db2.gz KUOWTBRSGSBNQV-UHFFFAOYSA-N 0 0 388.508 4.091 40 0 GIABRN CCOc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)CC ZINC000013925347 570867697 /nfs/dbraw/zinc/86/76/97/570867697.db2.gz WKCFDTCUTSHNCS-ATVHPVEESA-N 0 0 379.412 4.054 40 0 GIABRN CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccccc1 ZINC000014126501 570876753 /nfs/dbraw/zinc/87/67/53/570876753.db2.gz ZEGAQNNQESWPAO-UHFFFAOYSA-N 0 0 396.516 4.225 40 0 GIABRN Cc1cccc(C(C)C)c1NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000014411034 570891545 /nfs/dbraw/zinc/89/15/45/570891545.db2.gz MCSQSAOZZSYURW-UHFFFAOYSA-N 0 0 394.924 4.177 40 0 GIABRN O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)Nc1cccc(Cl)c1 ZINC000208282278 570892260 /nfs/dbraw/zinc/89/22/60/570892260.db2.gz FSBGRVPSKNFILA-MDWZMJQESA-N 0 0 378.862 4.077 40 0 GIABRN O=C(NC[C@H]1CC[C@H](c2n[nH]cc2-c2ccncc2)CC1)c1cccc(F)c1 ZINC000257251036 570895066 /nfs/dbraw/zinc/89/50/66/570895066.db2.gz JPCZTDNYDPGAQP-JCNLHEQBSA-N 0 0 378.451 4.315 40 0 GIABRN CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3C[C@H]3CCOC3)cc2N1 ZINC000257283059 570902632 /nfs/dbraw/zinc/90/26/32/570902632.db2.gz OWPRLUNJDLJKOA-YQFWSFKMSA-N 0 0 386.462 4.000 40 0 GIABRN O=C(CSCc1ccccc1Br)N1CCc2ccccc2C1 ZINC000020238148 570903544 /nfs/dbraw/zinc/90/35/44/570903544.db2.gz ONBYPXLOOSWZSH-UHFFFAOYSA-N 0 0 376.319 4.267 40 0 GIABRN CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)ccc1O ZINC000169678386 570904212 /nfs/dbraw/zinc/90/42/12/570904212.db2.gz DTEURNFLCFXMBC-PEIKOTFYSA-N 0 0 375.515 4.193 40 0 GIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)[C@H](C)Cn2nc(C)cc2C)cc1 ZINC000257367442 570915277 /nfs/dbraw/zinc/91/52/77/570915277.db2.gz UBRIEDXZEDMPKT-ROJNSIPKSA-N 0 0 395.547 4.233 40 0 GIABRN CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)c1 ZINC000017077773 570916806 /nfs/dbraw/zinc/91/68/06/570916806.db2.gz JXDPQCGGMFKDKL-UHFFFAOYSA-N 0 0 380.469 4.459 40 0 GIABRN CCCCC(=O)NC(=S)Nc1ccc2nc(NC(=O)CCC)sc2c1 ZINC000017077468 570916902 /nfs/dbraw/zinc/91/69/02/570916902.db2.gz IUNSBDKSEABLGC-UHFFFAOYSA-N 0 0 378.523 4.038 40 0 GIABRN CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@H]3C[C@@H](O)CC[C@@]32C)[C@@H]2CC[C@H](C(C)=O)[C@]21C ZINC000118925684 570921677 /nfs/dbraw/zinc/92/16/77/570921677.db2.gz KKWSHZSKHGWKNI-XIRBKRIFSA-N 0 0 376.537 4.137 40 0 GIABRN Cc1ccc(C(=O)N2CCC[C@@]3(CCN3c3ccc4nccnc4c3)C2)c(C)c1 ZINC000585102136 570928160 /nfs/dbraw/zinc/92/81/60/570928160.db2.gz SZJBWBMCNDJMHK-XMMPIXPASA-N 0 0 386.499 4.132 40 0 GIABRN CC(C)CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)CC(C)C)C2 ZINC000585107294 570934995 /nfs/dbraw/zinc/93/49/95/570934995.db2.gz SMJRNQDEWFIFFU-QHCPKHFHSA-N 0 0 380.536 4.212 40 0 GIABRN COc1cc(Cl)ccc1C(=O)N1CCc2[nH]nc(-c3ccc(C)cc3)c2CC1 ZINC000585110356 570940220 /nfs/dbraw/zinc/94/02/20/570940220.db2.gz JWLWBJSVWHDGEQ-UHFFFAOYSA-N 0 0 395.890 4.288 40 0 GIABRN O=C(CCc1cccc(OC(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 ZINC000199734160 570951432 /nfs/dbraw/zinc/95/14/32/570951432.db2.gz XZOQQNOITRTCNA-UHFFFAOYSA-N 0 0 379.378 4.237 40 0 GIABRN COC(=O)NC(=S)N(c1ccc(C)cc1)P(=O)(OC(C)C)OC(C)C ZINC000003110463 570954176 /nfs/dbraw/zinc/95/41/76/570954176.db2.gz IHZVGEZTPXCTTH-UHFFFAOYSA-N 0 0 388.426 4.400 40 0 GIABRN Cc1cccc(C)c1N1C[C@H](C(=O)Nc2ccccc2C(F)(F)F)CC1=O ZINC000242898089 570985919 /nfs/dbraw/zinc/98/59/19/570985919.db2.gz GPWNEQCRRNPCHM-CQSZACIVSA-N 0 0 376.378 4.314 40 0 GIABRN O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000244359598 570989694 /nfs/dbraw/zinc/98/96/94/570989694.db2.gz XVJYWCNQYJHABW-UHFFFAOYSA-N 0 0 377.271 4.484 40 0 GIABRN Cc1c(N)c(Br)cc(Br)c1-c1nc2ncccc2o1 ZINC000008702050 570990678 /nfs/dbraw/zinc/99/06/78/570990678.db2.gz JSBVLIFEARAJLX-UHFFFAOYSA-N 0 0 383.043 4.305 40 0 GIABRN Cn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1 ZINC000118916028 570993972 /nfs/dbraw/zinc/99/39/72/570993972.db2.gz RIGYQZYGTOVKFZ-YNTLUHLHSA-N 0 0 384.564 4.178 40 0 GIABRN C[C@]12C[C@H](NC(=O)N1c1ccc(F)cc1F)c1cc(Br)ccc1O2 ZINC000004852793 570998058 /nfs/dbraw/zinc/99/80/58/570998058.db2.gz MPFQMDIIOVBYBY-GUYCJALGSA-N 0 0 395.203 4.497 40 0 GIABRN C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000004890226 571003147 /nfs/dbraw/zinc/00/31/47/571003147.db2.gz MIBIKXUYGWYOPH-BZUAXINKSA-N 0 0 384.549 4.415 40 0 GIABRN CCOc1ccc(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000005612345 817599855 /nfs/dbraw/zinc/59/98/55/817599855.db2.gz PFUBUSAEEFUZOH-UHFFFAOYSA-N 0 0 389.451 4.399 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2C)c(C)c1 ZINC000005985577 817636988 /nfs/dbraw/zinc/63/69/88/817636988.db2.gz UCUNSGVHRYQIOP-UHFFFAOYSA-N 0 0 386.517 4.039 40 0 GIABRN COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC000006024042 817641394 /nfs/dbraw/zinc/64/13/94/817641394.db2.gz UXRSGSWUOSPXRF-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN Cc1ccc(CSc2nnc([C@H](C)NC(=O)c3ccc(C)cc3)n2C)cc1 ZINC000006204565 817666908 /nfs/dbraw/zinc/66/69/08/817666908.db2.gz ZBNFIVSHSFQZQE-INIZCTEOSA-N 0 0 380.517 4.215 40 0 GIABRN O=C1C[C@H](c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)n2ncnc2N1 ZINC000006225057 817668993 /nfs/dbraw/zinc/66/89/93/817668993.db2.gz WBUSVTMDUOJRET-MRXNPFEDSA-N 0 0 389.242 4.096 40 0 GIABRN COc1cccc(NC(=O)COc2ccc(C(=S)N3CCC(C)CC3)cc2)c1 ZINC000006348783 817681458 /nfs/dbraw/zinc/68/14/58/817681458.db2.gz JVBKFOUIHWWMNW-UHFFFAOYSA-N 0 0 398.528 4.120 40 0 GIABRN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000006362062 817682717 /nfs/dbraw/zinc/68/27/17/817682717.db2.gz MKKUBQRMMKWKOU-UHFFFAOYSA-N 0 0 398.322 4.383 40 0 GIABRN CCCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3C)o2)C1=O ZINC000006657362 817716322 /nfs/dbraw/zinc/71/63/22/817716322.db2.gz JGXUSUUPDZQDCF-GZTJUZNOSA-N 0 0 385.441 4.488 40 0 GIABRN CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1[C@@H](C)Oc1ccccc1 ZINC000006711181 817716666 /nfs/dbraw/zinc/71/66/66/817716666.db2.gz HGCLPPCHUUUJRI-OAHLLOKOSA-N 0 0 397.500 4.422 40 0 GIABRN CCC[C@H](C)NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000006947015 817727953 /nfs/dbraw/zinc/72/79/53/817727953.db2.gz NGKKZNILSXEUHD-SBUREZEXSA-N 0 0 396.556 4.422 40 0 GIABRN CCCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(Cl)cc1 ZINC000006947945 817728515 /nfs/dbraw/zinc/72/85/15/817728515.db2.gz DURYXZNSRJITDD-UHFFFAOYSA-N 0 0 378.929 4.113 40 0 GIABRN COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)o1 ZINC000007610217 817879429 /nfs/dbraw/zinc/87/94/29/817879429.db2.gz BTNDVRNHOJNBON-UHFFFAOYSA-N 0 0 393.827 4.269 40 0 GIABRN Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 ZINC000007881459 817948865 /nfs/dbraw/zinc/94/88/65/817948865.db2.gz YKLOYLGPOLJZFE-WBVHZDCISA-N 0 0 399.874 4.124 40 0 GIABRN CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1)C(=O)c1ccccc1 ZINC000007881464 817949562 /nfs/dbraw/zinc/94/95/62/817949562.db2.gz UHDMWFGYSROWNM-VQIMIIECSA-N 0 0 399.874 4.206 40 0 GIABRN CCc1cc(Br)ccc1NC(=O)COC(=O)c1cccc(Cl)c1 ZINC000007939894 817965261 /nfs/dbraw/zinc/96/52/61/817965261.db2.gz UOVJCHCSSSZJSN-UHFFFAOYSA-N 0 0 396.668 4.460 40 0 GIABRN CCc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 ZINC000008088315 817997770 /nfs/dbraw/zinc/99/77/70/817997770.db2.gz GDZFXLAFQPNVBW-UHFFFAOYSA-N 0 0 377.396 4.117 40 0 GIABRN CC(C)(C)c1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc(C(C)(C)C)c1O ZINC000016437587 818442147 /nfs/dbraw/zinc/44/21/47/818442147.db2.gz QAXGXSQRBHFIKI-BRVCPTFNSA-N 0 0 384.520 4.189 40 0 GIABRN COc1ccc(Cc2ccc([C@@H]3CN(Cc4ccc(F)cc4)CCO3)nc2)cc1 ZINC000019693014 818599355 /nfs/dbraw/zinc/59/93/55/818599355.db2.gz SITRPAQGEUKAIW-DEOSSOPVSA-N 0 0 392.474 4.394 40 0 GIABRN Cc1nnc2n1C[C@@H](c1cccc(NC(=O)CCc3ccc(F)cc3)c1)CC2 ZINC000019698715 818600134 /nfs/dbraw/zinc/60/01/34/818600134.db2.gz QEOZAGYURWXOFH-SFHVURJKSA-N 0 0 378.451 4.027 40 0 GIABRN Fc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCc3ccccc3C2)cc1 ZINC000020120953 818614546 /nfs/dbraw/zinc/61/45/46/818614546.db2.gz WHKCLFHZCJQUQG-HSZRJFAPSA-N 0 0 399.473 4.008 40 0 GIABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 ZINC000026843534 820152791 /nfs/dbraw/zinc/15/27/91/820152791.db2.gz JDNBCQMWGOEVFU-UHFFFAOYSA-N 0 0 387.545 4.462 40 0 GIABRN COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)cc1 ZINC000028527167 820343943 /nfs/dbraw/zinc/34/39/43/820343943.db2.gz MYUODZSJKSLCBT-UHFFFAOYSA-N 0 0 391.475 4.252 40 0 GIABRN COc1ccc(C(=O)n2c(N)c(C(=O)Nc3cccc(C)c3)c3ccccc32)cc1 ZINC000028535855 820344346 /nfs/dbraw/zinc/34/43/46/820344346.db2.gz FUTHLPCBQOSNPO-UHFFFAOYSA-N 0 0 399.450 4.481 40 0 GIABRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(O)c3)SC2=S)cc1 ZINC000028975139 820378819 /nfs/dbraw/zinc/37/88/19/820378819.db2.gz CLWMMJXJGYSXFH-GZTJUZNOSA-N 0 0 387.482 4.205 40 0 GIABRN C[C@@]12CC[C@@H]3c4cc(I)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000032068235 820893218 /nfs/dbraw/zinc/89/32/18/820893218.db2.gz JZYOQPBSKIOCIK-YUBHHTAFSA-N 0 0 398.284 4.214 40 0 GIABRN COC(=O)c1ccccc1NC(=O)CSCc1ccccc1Br ZINC000032794285 821008757 /nfs/dbraw/zinc/00/87/57/821008757.db2.gz YGECUZGTROTTAB-UHFFFAOYSA-N 0 0 394.290 4.108 40 0 GIABRN S=C(c1ccccc1OCc1ccc(Br)cc1)N1CCOCC1 ZINC000033431966 821056059 /nfs/dbraw/zinc/05/60/59/821056059.db2.gz OXGLAUXCDPNLEO-UHFFFAOYSA-N 0 0 392.318 4.036 40 0 GIABRN Cc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(C)c1O ZINC000035074257 821063838 /nfs/dbraw/zinc/06/38/38/821063838.db2.gz AXWIIWWRDMWUBO-SXGWCWSVSA-N 0 0 384.413 4.154 40 0 GIABRN COC(=O)CCCNC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000062715571 823645054 /nfs/dbraw/zinc/64/50/54/823645054.db2.gz ZCQSWDDDEFKVJI-JLHYYAGUSA-N 0 0 387.863 4.002 40 0 GIABRN Cc1cc(C)n(CCCC(=O)N2CCC(c3nc(C)n4c(C)csc34)CC2)n1 ZINC000019573992 210267858 /nfs/dbraw/zinc/26/78/58/210267858.db2.gz VNUNUJIUUHZQBP-UHFFFAOYSA-N 0 0 399.564 4.012 40 0 GIABRN Cc1cccc(C(C)C)c1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl ZINC000216445472 222575876 /nfs/dbraw/zinc/57/58/76/222575876.db2.gz PNKIAWAENVLALJ-UHFFFAOYSA-N 0 0 380.897 4.396 40 0 GIABRN COc1ccc2oc(C(=O)N3CCC(c4cc5nccnc5[nH]4)CC3)c(C)c2c1 ZINC000019565587 210265024 /nfs/dbraw/zinc/26/50/24/210265024.db2.gz QWBOKYSOWLEZBH-UHFFFAOYSA-N 0 0 390.443 4.041 40 0 GIABRN Cc1noc2nc(C3CCN(C(=O)C4CCCC4)CC3)cc(C(F)(F)F)c12 ZINC000019564562 210265030 /nfs/dbraw/zinc/26/50/30/210265030.db2.gz MNQLBCYQWYQNPC-UHFFFAOYSA-N 0 0 381.398 4.446 40 0 GIABRN Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000019560778 210264208 /nfs/dbraw/zinc/26/42/08/210264208.db2.gz HUTOEIGRDCLMSY-CYBMUJFWSA-N 0 0 393.468 4.014 40 0 GIABRN Cc1sc2nc(C(C)C)n([C@H]3CCCN(C(=O)C(C)(C)C)C3)c(=O)c2c1C ZINC000019561139 210263931 /nfs/dbraw/zinc/26/39/31/210263931.db2.gz MHWZKWVVKNKVHR-HNNXBMFYSA-N 0 0 389.565 4.408 40 0 GIABRN Cc1nc(-c2ccccn2)sc1C(=O)NCCc1nc2cc(Cl)ccc2[nH]1 ZINC000019561047 210263499 /nfs/dbraw/zinc/26/34/99/210263499.db2.gz ULBGGTHAASBGGO-UHFFFAOYSA-N 0 0 397.891 4.016 40 0 GIABRN CCOC(=O)c1cc(Cl)cnc1C1CCN(C(=O)c2ccc(C)s2)CC1 ZINC000019530749 210258072 /nfs/dbraw/zinc/25/80/72/210258072.db2.gz NIHKQKXXHKJQFP-UHFFFAOYSA-N 0 0 392.908 4.301 40 0 GIABRN CCCc1ncc(-c2cc(C)no2)c([C@@H]2CCCCN2C(=O)c2ccncc2)n1 ZINC000019525598 210257342 /nfs/dbraw/zinc/25/73/42/210257342.db2.gz CIQORXMVQLTXBR-SFHVURJKSA-N 0 0 391.475 4.155 40 0 GIABRN CCCn1c(C)cc2cc(NC(=O)CCc3nc(-c4ccncc4)no3)ccc21 ZINC000019525977 210256906 /nfs/dbraw/zinc/25/69/06/210256906.db2.gz OGOVVDUNFZQFNS-UHFFFAOYSA-N 0 0 389.459 4.376 40 0 GIABRN CCn1cc(CC(=O)N2CCC(O)(c3ccccc3C)CC2)c2ccccc21 ZINC000019524781 210256574 /nfs/dbraw/zinc/25/65/74/210256574.db2.gz BPBIXCMKRVNSCT-UHFFFAOYSA-N 0 0 376.500 4.022 40 0 GIABRN CCn1cc(C[C@H](C)NC(=O)c2ccccc2Cn2ccnc2)c2ccccc21 ZINC000019524801 210255682 /nfs/dbraw/zinc/25/56/82/210255682.db2.gz NDTOXOILYCKLEQ-SFHVURJKSA-N 0 0 386.499 4.267 40 0 GIABRN CCCC(=O)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 ZINC000019501096 210255459 /nfs/dbraw/zinc/25/54/59/210255459.db2.gz SNUDUJHNFHGCRA-GOSISDBHSA-N 0 0 387.487 4.398 40 0 GIABRN CCOc1ccccc1C(=O)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 ZINC000019520079 210254917 /nfs/dbraw/zinc/25/49/17/210254917.db2.gz BGJNEKOLHFBOMV-LJQANCHMSA-N 0 0 376.460 4.238 40 0 GIABRN CCCC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2F)(C(=O)N(C)C)C1 ZINC000019501063 210254329 /nfs/dbraw/zinc/25/43/29/210254329.db2.gz DKDUUWNISDUAQO-XMMPIXPASA-N 0 0 396.506 4.142 40 0 GIABRN CCCC(=O)N1CCc2nc(-c3ccncc3)nc(Oc3ccc(F)cc3)c2C1 ZINC000019501619 210254363 /nfs/dbraw/zinc/25/43/63/210254363.db2.gz HTMYCGHTKFPQJC-UHFFFAOYSA-N 0 0 392.434 4.155 40 0 GIABRN CCCC(=O)N1CCC[C@](Cc2ccccc2-c2cccs2)(C(=O)N(C)C)C1 ZINC000019501245 210254074 /nfs/dbraw/zinc/25/40/74/210254074.db2.gz SYNRXNYDHSQHMZ-HSZRJFAPSA-N 0 0 398.572 4.455 40 0 GIABRN CCC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2)(C(=O)NC(C)C)C1 ZINC000019498462 210253339 /nfs/dbraw/zinc/25/33/39/210253339.db2.gz QUMAKOVTXJMSSU-DEOSSOPVSA-N 0 0 378.516 4.049 40 0 GIABRN COCCCN(Cc1ccc2c(c1)C[C@H](C)O2)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000019498157 210253132 /nfs/dbraw/zinc/25/31/32/210253132.db2.gz NEDUZWPGZCGBPN-HNNXBMFYSA-N 0 0 396.462 4.309 40 0 GIABRN COc1ccc([C@@H]2CCCN2C(=O)CCc2ccc3c(c2)C[C@H](C)O3)cc1OC ZINC000019498117 210252723 /nfs/dbraw/zinc/25/27/23/210252723.db2.gz LTIKYALRQOYAEH-JXFKEZNVSA-N 0 0 395.499 4.324 40 0 GIABRN CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(C)c(C)c4)c3)nn12 ZINC000008071472 230860034 /nfs/dbraw/zinc/86/00/34/230860034.db2.gz ONFFXMRNSIJTLG-UHFFFAOYSA-N 0 0 377.473 4.284 40 0 GIABRN Cc1ccc(-c2nnc(SCC(=O)Nc3nc4ccccc4s3)n2C)cc1 ZINC000014082229 230886665 /nfs/dbraw/zinc/88/66/65/230886665.db2.gz FMNSHUIORSQQLG-UHFFFAOYSA-N 0 0 395.513 4.131 40 0 GIABRN COc1ccc([C@@H]2CCCN2C(=O)CCc2ccc3c(c2)C[C@H](C)O3)c(OC)c1 ZINC000019498121 210252269 /nfs/dbraw/zinc/25/22/69/210252269.db2.gz OTMGMGZQQUDIHG-KKSFZXQISA-N 0 0 395.499 4.324 40 0 GIABRN COc1ccc([C@H]2CCCN2C(=O)CCc2ccc3c(c2)C[C@H](C)O3)cc1OC ZINC000019498118 210251985 /nfs/dbraw/zinc/25/19/85/210251985.db2.gz LTIKYALRQOYAEH-OXJNMPFZSA-N 0 0 395.499 4.324 40 0 GIABRN O=C(c1ccccc1)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000036171589 230924631 /nfs/dbraw/zinc/92/46/31/230924631.db2.gz HGTOIWJTJZSCCB-UHFFFAOYSA-N 0 0 390.527 4.020 40 0 GIABRN CCc1nnc2sc(-c3cccc(NC(=O)c4cc5ccccc5o4)c3)nn12 ZINC000057316904 230937844 /nfs/dbraw/zinc/93/78/44/230937844.db2.gz XNMXEKSAGLJGBT-UHFFFAOYSA-N 0 0 389.440 4.414 40 0 GIABRN CC(C)c1nc2ccc(NC(=O)CCc3nc(-c4ccccn4)no3)cc2s1 ZINC000019453841 210250074 /nfs/dbraw/zinc/25/00/74/210250074.db2.gz CMFRGNJSOMBPEM-UHFFFAOYSA-N 0 0 393.472 4.436 40 0 GIABRN CC(C)Oc1cc(CCC(=O)N2CCc3[nH]c4c(cccc4Cl)c3C2)on1 ZINC000019450525 210249005 /nfs/dbraw/zinc/24/90/05/210249005.db2.gz VEJCOZOYBMJGED-UHFFFAOYSA-N 0 0 387.867 4.114 40 0 GIABRN CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)CC(C)C)C1 ZINC000019446214 210248631 /nfs/dbraw/zinc/24/86/31/210248631.db2.gz VYMPMKNKNQZKFK-DEOSSOPVSA-N 0 0 396.506 4.046 40 0 GIABRN O=C(Nc1ccc(I)cc1)c1conc1-c1ccccc1 ZINC000225871209 231036208 /nfs/dbraw/zinc/03/62/08/231036208.db2.gz YTRSYSRAWLYTAN-UHFFFAOYSA-N 0 0 390.180 4.199 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1 ZINC000408565386 231063955 /nfs/dbraw/zinc/06/39/55/231063955.db2.gz KEXPZTSFJRWGJW-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN Cc1csc2[nH]c(SCC(=O)Nc3ccc(F)c(Cl)c3)nc(=O)c12 ZINC000408594753 231072265 /nfs/dbraw/zinc/07/22/65/231072265.db2.gz AYGOBSQXKKXQIG-UHFFFAOYSA-N 0 0 383.857 4.229 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1)N1CCCCCC1 ZINC000408597668 231074317 /nfs/dbraw/zinc/07/43/17/231074317.db2.gz VSPZODWHVRGNPO-UHFFFAOYSA-N 0 0 391.468 4.034 40 0 GIABRN Cc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)cc1C ZINC000408666005 231092865 /nfs/dbraw/zinc/09/28/65/231092865.db2.gz ZUVXKZYCGCQUMZ-RDJZCZTQSA-N 0 0 399.874 4.124 40 0 GIABRN Cc1cccc(N(CCCC(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)c1 ZINC000408677450 231093427 /nfs/dbraw/zinc/09/34/27/231093427.db2.gz CWAKYTRHKXTOEK-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN Cc1ccc(N2C[C@H](C(=O)Oc3cccc4cccnc43)CC2=O)cc1Cl ZINC000408674400 231093573 /nfs/dbraw/zinc/09/35/73/231093573.db2.gz ZJCWTGBCBURPOD-OAHLLOKOSA-N 0 0 380.831 4.155 40 0 GIABRN O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000408701150 231098199 /nfs/dbraw/zinc/09/81/99/231098199.db2.gz SGAUGNGNYXXCOZ-UHFFFAOYSA-N 0 0 392.908 4.157 40 0 GIABRN Cc1ccccc1N1C[C@H](C(=O)Nc2ccccc2N2CCC(C)CC2)CC1=O ZINC000408707333 231100590 /nfs/dbraw/zinc/10/05/90/231100590.db2.gz JDEBAAQQKMISJQ-LJQANCHMSA-N 0 0 391.515 4.223 40 0 GIABRN Cc1ccc(S[C@@H](C)C(=O)N(C)Cc2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000408713984 231103694 /nfs/dbraw/zinc/10/36/94/231103694.db2.gz FQUDEOHSZOUYHY-INIZCTEOSA-N 0 0 381.501 4.493 40 0 GIABRN COc1ccccc1C(=O)N(C)Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000408714156 231104006 /nfs/dbraw/zinc/10/40/06/231104006.db2.gz JZLHSBIJIVTKGJ-UHFFFAOYSA-N 0 0 379.460 4.315 40 0 GIABRN O=C(CCc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[nH]1 ZINC000019370780 210246731 /nfs/dbraw/zinc/24/67/31/210246731.db2.gz FKQPQMWZLLPRLF-LJQANCHMSA-N 0 0 393.512 4.185 40 0 GIABRN O=C(NC(=S)Nc1ccc(Br)cc1F)c1cc2ccccc2o1 ZINC000408628939 231089433 /nfs/dbraw/zinc/08/94/33/231089433.db2.gz YKQHDNCWBBRVRM-UHFFFAOYSA-N 0 0 393.237 4.461 40 0 GIABRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(N3CCCCC3)o2)S1 ZINC000408814418 231117728 /nfs/dbraw/zinc/11/77/28/231117728.db2.gz VONGDBMAIDKLGZ-UHFFFAOYSA-N 0 0 398.508 4.350 40 0 GIABRN O=C(Cc1ccccc1)NC1CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000019370436 210246367 /nfs/dbraw/zinc/24/63/67/210246367.db2.gz YOCLZELIDIJUAZ-UHFFFAOYSA-N 0 0 377.513 4.138 40 0 GIABRN O=C(c1cccnc1)N1[C@@H]2CC[C@H]1Cc1nc(C3CC3)nc(Nc3ccccc3)c12 ZINC000019373011 210245976 /nfs/dbraw/zinc/24/59/76/210245976.db2.gz WTEGBZTYPVVUJT-AZUAARDMSA-N 0 0 397.482 4.395 40 0 GIABRN O=C(NCc1ccco1)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 ZINC000408976555 231139891 /nfs/dbraw/zinc/13/98/91/231139891.db2.gz GCFDMOREGZWQAQ-UHFFFAOYSA-N 0 0 383.411 4.143 40 0 GIABRN C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000408998242 231144831 /nfs/dbraw/zinc/14/48/31/231144831.db2.gz KZYOERYVFMNDNC-OALUTQOASA-N 0 0 386.495 4.201 40 0 GIABRN Cc1cc(C)c(OCC(=O)N2NC3=C(CCCCC3)[C@@]2(O)C(F)(F)F)c(C)c1 ZINC000408956996 231134928 /nfs/dbraw/zinc/13/49/28/231134928.db2.gz SCHQVFMBJNMIOC-DNVCBOLYSA-N 0 0 398.425 4.020 40 0 GIABRN Cc1cccc(C)c1OCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)o1 ZINC000409153686 231172053 /nfs/dbraw/zinc/17/20/53/231172053.db2.gz DSXUQFYSIWCZQC-INIZCTEOSA-N 0 0 397.500 4.235 40 0 GIABRN Cc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2CC(C)C)c1C ZINC000409091029 231158168 /nfs/dbraw/zinc/15/81/68/231158168.db2.gz SHJFASZPOGBBJG-UHFFFAOYSA-N 0 0 395.532 4.344 40 0 GIABRN O=C1CCCC[C@]2(CN(Cc3cccc(F)c3F)C[C@H]2c2ccccc2F)N1 ZINC000019368226 210244784 /nfs/dbraw/zinc/24/47/84/210244784.db2.gz QTPVHDLMUQKHQP-HTAPYJJXSA-N 0 0 388.433 4.132 40 0 GIABRN Cc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000409108055 231162899 /nfs/dbraw/zinc/16/28/99/231162899.db2.gz UTGLEKGVFOGRDU-UHFFFAOYSA-N 0 0 394.834 4.238 40 0 GIABRN Cc1ccc(OCc2nn(CC(=O)Nc3cc(C)cc(C)c3)c(=S)o2)cc1 ZINC000409163330 231174054 /nfs/dbraw/zinc/17/40/54/231174054.db2.gz PRSUQEXMHHLZEG-UHFFFAOYSA-N 0 0 383.473 4.349 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccccc2C)cc1 ZINC000409181705 231175735 /nfs/dbraw/zinc/17/57/35/231175735.db2.gz FDSYDOIJDGCDKF-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN Cn1c2c(s/c1=N\C(=O)c1cccc(Br)c1)CCc1ccccc1-2 ZINC000409194870 231177293 /nfs/dbraw/zinc/17/72/93/231177293.db2.gz DMARYTJZPFOHQF-VZCXRCSSSA-N 0 0 399.313 4.356 40 0 GIABRN Cn1c2c(s/c1=N\C(=O)c1ccc(Br)cc1)CCc1ccccc1-2 ZINC000409198297 231178375 /nfs/dbraw/zinc/17/83/75/231178375.db2.gz BTMDJTHIBDUYRN-VZCXRCSSSA-N 0 0 399.313 4.356 40 0 GIABRN CCc1s/c(=N\S(=O)(=O)c2ccc(C)cc2)n(C)c1-c1ccc(F)cc1 ZINC000409206420 231180308 /nfs/dbraw/zinc/18/03/08/231180308.db2.gz JHWRZPSDWBTWDT-VZCXRCSSSA-N 0 0 390.505 4.053 40 0 GIABRN Cc1cc(C)c(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c(C)c1 ZINC000409410568 231201894 /nfs/dbraw/zinc/20/18/94/231201894.db2.gz OCDCQSFNYUSYHM-SFHVURJKSA-N 0 0 388.533 4.022 40 0 GIABRN Cc1cc(C)c(NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c(C)c1 ZINC000409410567 231202085 /nfs/dbraw/zinc/20/20/85/231202085.db2.gz OCDCQSFNYUSYHM-GOSISDBHSA-N 0 0 388.533 4.022 40 0 GIABRN CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1O ZINC000409411551 231202882 /nfs/dbraw/zinc/20/28/82/231202882.db2.gz IZKHCHKAADLGOU-UHFFFAOYSA-N 0 0 382.489 4.018 40 0 GIABRN O=C(N[C@@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1)C1CCCCC1 ZINC000019369307 210243425 /nfs/dbraw/zinc/24/34/25/210243425.db2.gz UODCRWYOVRXOEV-FQEVSTJZSA-N 0 0 379.504 4.018 40 0 GIABRN O=C(NCCCc1ccc(F)cc1)c1cc(C2CCOCC2)c2cnccc2n1 ZINC000019333634 210241440 /nfs/dbraw/zinc/24/14/40/210241440.db2.gz ADXVZLWRTKJTCH-UHFFFAOYSA-N 0 0 393.462 4.026 40 0 GIABRN O=C([C@@H]1C[C@@H]2C=C[C@H]1C2)N(Cc1ccc2c(c1)OCO2)Cc1cccc(F)c1 ZINC000019293770 210239624 /nfs/dbraw/zinc/23/96/24/210239624.db2.gz SXHVJAAZLOEOAG-MOXGXCLJSA-N 0 0 379.431 4.295 40 0 GIABRN Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)c3cc(F)cc(F)c3)C2)n1 ZINC000019286824 210238256 /nfs/dbraw/zinc/23/82/56/210238256.db2.gz BEXVRRHGHAKZRN-MRXNPFEDSA-N 0 0 394.425 4.145 40 0 GIABRN Cn1nc(C2CCN(C(=O)Cc3ccccc3F)CC2)cc1-c1cccc(F)c1 ZINC000019288858 210237686 /nfs/dbraw/zinc/23/76/86/210237686.db2.gz HXZRWXXIJOFOSZ-UHFFFAOYSA-N 0 0 395.453 4.314 40 0 GIABRN CCc1ccccc1NC(=O)c1cccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)c1 ZINC000408672251 529600389 /nfs/dbraw/zinc/60/03/89/529600389.db2.gz MQHVOSNFZZSTMX-QFIXIFRTSA-N 0 0 388.467 4.203 40 0 GIABRN CCc1ccccc1NC(=O)c1ccc(N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)cc1 ZINC000408681803 529600612 /nfs/dbraw/zinc/60/06/12/529600612.db2.gz JNXYCNQQUYNOTL-PMACEKPBSA-N 0 0 388.467 4.347 40 0 GIABRN CCc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000409102107 529618965 /nfs/dbraw/zinc/61/89/65/529618965.db2.gz XXXFRUBZRISTPZ-SFHVURJKSA-N 0 0 396.796 4.404 40 0 GIABRN Cc1cccnc1CN(Cc1ccccc1)C(=O)c1ccc(C(C)(C)C)[nH]c1=O ZINC000019237774 210235865 /nfs/dbraw/zinc/23/58/65/210235865.db2.gz OEAOATWCTCVRHB-UHFFFAOYSA-N 0 0 389.499 4.218 40 0 GIABRN Cc1cnccc1-c1cnc(N(C)C)nc1[C@@H]1CCCCN1C(=O)C1CCCC1 ZINC000019239679 210235818 /nfs/dbraw/zinc/23/58/18/210235818.db2.gz YZWGVYAHMAKROH-FQEVSTJZSA-N 0 0 393.535 4.157 40 0 GIABRN Cc1cccc(-c2ccccc2C[C@@]2(C(N)=O)CCN(C(=O)c3ccccc3)C2)c1 ZINC000019235498 210233610 /nfs/dbraw/zinc/23/36/10/210233610.db2.gz LKMKVVSBZUQVJE-SANMLTNESA-N 0 0 398.506 4.222 40 0 GIABRN Cc1cccc(O[C@H](C)c2nnc(NC(=O)CC[C@H]3CCCO3)s2)c1C ZINC000019235685 210233150 /nfs/dbraw/zinc/23/31/50/210233150.db2.gz VSJUAUVEJKLKRA-HUUCEWRRSA-N 0 0 375.494 4.193 40 0 GIABRN Cc1cccc(O[C@H](C)c2nnc(NC(=O)CC[C@@H]3CCCO3)s2)c1C ZINC000019235683 210232798 /nfs/dbraw/zinc/23/27/98/210232798.db2.gz VSJUAUVEJKLKRA-CABCVRRESA-N 0 0 375.494 4.193 40 0 GIABRN COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)c1cccc(C)c1 ZINC000019234432 210232323 /nfs/dbraw/zinc/23/23/23/210232323.db2.gz AZVXHCWHBVWENF-HXUWFJFHSA-N 0 0 375.472 4.056 40 0 GIABRN Cc1noc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)Cc2ccccc2C)c1C ZINC000019237079 210232328 /nfs/dbraw/zinc/23/23/28/210232328.db2.gz DIWQEJIMQZIWJB-FQEVSTJZSA-N 0 0 392.503 4.297 40 0 GIABRN Cc1noc(-c2cn[nH]c2[C@H]2CCCCN2C(=O)Cc2ccc(C)cc2)c1C ZINC000019209628 210229931 /nfs/dbraw/zinc/22/99/31/210229931.db2.gz SXGVJSSJUBYWPQ-LJQANCHMSA-N 0 0 378.476 4.286 40 0 GIABRN COc1cc2cc(C3CCN(C(=O)c4cc(C5CC5)n[nH]4)CC3)ncc2cc1C ZINC000019127183 210228134 /nfs/dbraw/zinc/22/81/34/210228134.db2.gz MYHQTAOPZHKYFK-UHFFFAOYSA-N 0 0 390.487 4.172 40 0 GIABRN Cc1cc(-c2snnc2[C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)on1 ZINC000019120754 210226668 /nfs/dbraw/zinc/22/66/68/210226668.db2.gz GYPBOLPEPHFLON-ZDUSSCGKSA-N 0 0 376.432 4.159 40 0 GIABRN Cc1cc(C(F)F)nn1[C@@H](C)C(=O)N[C@@H](Cc1cccs1)c1ccccn1 ZINC000019119052 210226280 /nfs/dbraw/zinc/22/62/80/210226280.db2.gz QZFVTIQCPSISMP-BBRMVZONSA-N 0 0 390.459 4.247 40 0 GIABRN CC(C)(C)CC(=O)N1[C@@H]2CC[C@H]1Cc1nc(-c3ccncc3)nc(NC3CC3)c12 ZINC000019082522 210226316 /nfs/dbraw/zinc/22/63/16/210226316.db2.gz FXODZQSDTWINQF-FUHWJXTLSA-N 0 0 391.519 4.137 40 0 GIABRN Cc1cc(C(F)F)nn1[C@H](C)C(=O)N[C@@H](Cc1ccsc1)c1ccccn1 ZINC000019119067 210225653 /nfs/dbraw/zinc/22/56/53/210225653.db2.gz VJGJCCOWPDLXGT-CJNGLKHVSA-N 0 0 390.459 4.247 40 0 GIABRN O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1CNc1ccccn1 ZINC000019118599 210225283 /nfs/dbraw/zinc/22/52/83/210225283.db2.gz ICJKHJHLWHIDIG-NTUHNPAUSA-N 0 0 380.256 4.494 40 0 GIABRN COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)c3cc(C)no3)on2)cc1 ZINC000019119919 210225393 /nfs/dbraw/zinc/22/53/93/210225393.db2.gz YOJXCQUIWAYMER-SFHVURJKSA-N 0 0 381.432 4.404 40 0 GIABRN Cc1cc(C(F)F)nn1[C@@H](C)C(=O)N[C@H](Cc1ccsc1)c1ccccn1 ZINC000019119070 210224637 /nfs/dbraw/zinc/22/46/37/210224637.db2.gz VJGJCCOWPDLXGT-XJKSGUPXSA-N 0 0 390.459 4.247 40 0 GIABRN CC(=O)N1CC[C@](Cc2cccc(-c3ccc(F)cc3)c2)(C(=O)NC(C)(C)C)C1 ZINC000019016417 210222202 /nfs/dbraw/zinc/22/22/02/210222202.db2.gz DEVZJRAGNNABQO-XMMPIXPASA-N 0 0 396.506 4.189 40 0 GIABRN Cc1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000016780243 210197086 /nfs/dbraw/zinc/19/70/86/210197086.db2.gz SEZIXYILKYUZSG-UHFFFAOYSA-N 0 0 383.300 4.304 40 0 GIABRN CC(=O)n1c(-c2ccccc2)nc2c1SC(c1ccc(F)cc1)=NN2C(C)=O ZINC000016777590 210196522 /nfs/dbraw/zinc/19/65/22/210196522.db2.gz APGSNWPAESRROZ-UHFFFAOYSA-N 0 0 394.431 4.170 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3C)cc2)cc1 ZINC000016029175 210183134 /nfs/dbraw/zinc/18/31/34/210183134.db2.gz DMIOFWKCUOSQSA-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1C ZINC000015439430 210157811 /nfs/dbraw/zinc/15/78/11/210157811.db2.gz MPPCDKTXQNSXRL-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccccc1 ZINC000015340180 210156304 /nfs/dbraw/zinc/15/63/04/210156304.db2.gz RWCKWKLCMXTAQC-KRWDZBQOSA-N 0 0 394.496 4.003 40 0 GIABRN CN1C(=O)N/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1=O ZINC000409191372 530045735 /nfs/dbraw/zinc/04/57/35/530045735.db2.gz WSIGDKPWHCNURK-FYJGNVAPSA-N 0 0 381.435 4.365 40 0 GIABRN CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(F)cc1 ZINC000014081546 210102674 /nfs/dbraw/zinc/10/26/74/210102674.db2.gz KAEQYOBGCDRKFL-UHFFFAOYSA-N 0 0 390.871 4.488 40 0 GIABRN CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(I)cc1 ZINC000013994577 210100585 /nfs/dbraw/zinc/10/05/85/210100585.db2.gz NWYXXTYPBWZYSN-OAHLLOKOSA-N 0 0 395.240 4.396 40 0 GIABRN CCc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1CC ZINC000013992540 210100661 /nfs/dbraw/zinc/10/06/61/210100661.db2.gz UNJLCEZUWVOKCB-UHFFFAOYSA-N 0 0 392.834 4.263 40 0 GIABRN C[C@@H]1CN(C(=O)c2ccc(Cl)cc2)[C@@H](C)CN1C(=O)c1ccc(Cl)cc1 ZINC000013967695 210098161 /nfs/dbraw/zinc/09/81/61/210098161.db2.gz LWYMDXFBQHMGLW-OKILXGFUSA-N 0 0 391.298 4.369 40 0 GIABRN CC(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000014001091 210099016 /nfs/dbraw/zinc/09/90/16/210099016.db2.gz BGVNWXFDBYLMNO-UHFFFAOYSA-N 0 0 380.488 4.454 40 0 GIABRN Cc1cccc(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3)n2C)c1C ZINC000013849595 210093840 /nfs/dbraw/zinc/09/38/40/210093840.db2.gz DJQDZLFCJYMUGW-INIZCTEOSA-N 0 0 396.516 4.303 40 0 GIABRN C[C@H](Oc1cccc2ccccc21)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000013709141 210080852 /nfs/dbraw/zinc/08/08/52/210080852.db2.gz TYDWRGDAJWJRBH-KRWDZBQOSA-N 0 0 378.447 4.095 40 0 GIABRN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(I)cc2)c1 ZINC000013710278 210081905 /nfs/dbraw/zinc/08/19/05/210081905.db2.gz RLWHCGFAEHHALO-CYBMUJFWSA-N 0 0 395.240 4.314 40 0 GIABRN CCOc1ccccc1/C=C(\NC(=O)c1ccccc1)C(=O)N1CCCCCC1 ZINC000013550801 210066449 /nfs/dbraw/zinc/06/64/49/210066449.db2.gz KIMAKNHQJOXHEF-UZYVYHOESA-N 0 0 392.499 4.259 40 0 GIABRN Cc1[nH]c2c(cccc2C(=O)N2CCC[C@@](O)(c3ccc(F)cc3)CC2)c1C ZINC000012251743 209927290 /nfs/dbraw/zinc/92/72/90/209927290.db2.gz UKOFIHNKRMYNTP-QHCPKHFHSA-N 0 0 380.463 4.438 40 0 GIABRN CN(C(=O)c1cccc(NC(=O)[C@H]2OCOc3ccccc32)c1)C1CCCCC1 ZINC000012196415 209919035 /nfs/dbraw/zinc/91/90/35/209919035.db2.gz FUNNCPKAAKAQCP-NRFANRHFSA-N 0 0 394.471 4.138 40 0 GIABRN O=c1[nH]cc(-c2ccccc2)cc1CNc1ccc(OC[C@H]2CCCO2)cc1 ZINC000012144093 209913539 /nfs/dbraw/zinc/91/35/39/209913539.db2.gz VVORRWDQTKDVGO-JOCHJYFZSA-N 0 0 376.456 4.212 40 0 GIABRN O=C(c1c(F)cccc1F)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000012113195 209909963 /nfs/dbraw/zinc/90/99/63/209909963.db2.gz FYEHVKGMEAMJPY-UHFFFAOYSA-N 0 0 379.410 4.313 40 0 GIABRN Fc1ccc(F)c(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)c1F ZINC000328955138 222805376 /nfs/dbraw/zinc/80/53/76/222805376.db2.gz AAHWVQAHZHVDAU-UHFFFAOYSA-N 0 0 399.420 4.288 40 0 GIABRN Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(F)cc1 ZINC000006914078 209705541 /nfs/dbraw/zinc/70/55/41/209705541.db2.gz BMWQOCDPPAKJAD-UHFFFAOYSA-N 0 0 376.844 4.005 40 0 GIABRN COC(=O)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000006761936 209681740 /nfs/dbraw/zinc/68/17/40/209681740.db2.gz UCDYRBDEFZIEOY-XOQVKLMPSA-N 0 0 383.532 4.472 40 0 GIABRN CCOC(=O)C1=C(C)N(Cc2ccccc2)C(C)=C2C(=O)Oc3ccccc3[C@H]12 ZINC000006154373 209633799 /nfs/dbraw/zinc/63/37/99/209633799.db2.gz YYQKMVZBKWGSPS-JOCHJYFZSA-N 0 0 389.451 4.316 40 0 GIABRN CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)c1ccccc1)[C@@H]2NC(=O)c1ccccc1 ZINC000003845966 209454821 /nfs/dbraw/zinc/45/48/21/209454821.db2.gz RVXBNSBZNVTNRD-UECWXEIQSA-N 0 0 376.500 4.040 40 0 GIABRN Cc1ccc(OCCSC(=S)N(C)C)c(CSC(=S)N(C)C)c1 ZINC000001615385 209333573 /nfs/dbraw/zinc/33/35/73/209333573.db2.gz BMQLVATYFSUWFV-UHFFFAOYSA-N 0 0 388.649 4.033 40 0 GIABRN CCOC(=O)[C@H](Cc1cn(C(C)=O)c2ccccc12)P(=O)(OCC)OCC ZINC000001643300 209335481 /nfs/dbraw/zinc/33/54/81/209335481.db2.gz YQTBZDKZLZTNRV-SFHVURJKSA-N 0 0 395.392 4.042 40 0 GIABRN Cn1c2ccnc(Cl)c2cc1C(C)(O)c1cc2c(ccnc2Cl)n1C ZINC000001591563 209334118 /nfs/dbraw/zinc/33/41/18/209334118.db2.gz ITUFESOJSCSFIR-UHFFFAOYSA-N 0 0 375.259 4.023 40 0 GIABRN Fc1ccc(Nc2nc3nonc3nc2Nc2ccc(F)cc2F)c(F)c1 ZINC000001097758 209299791 /nfs/dbraw/zinc/29/97/91/209299791.db2.gz HZEKCJKVAIEXDJ-UHFFFAOYSA-N 0 0 376.273 4.056 40 0 GIABRN CC(=O)Nc1ccc(C2=N/C(=C/c3ccc(Cl)c(Cl)c3)C(=O)O2)cc1 ZINC000001045664 209292896 /nfs/dbraw/zinc/29/28/96/209292896.db2.gz BGIQFOXWISVDGS-CXUHLZMHSA-N 0 0 375.211 4.296 40 0 GIABRN COc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(NC(C)C)o2)cc1 ZINC000000635299 209252929 /nfs/dbraw/zinc/25/29/29/209252929.db2.gz SLXYIPBAWVTNOO-UHFFFAOYSA-N 0 0 386.473 4.312 40 0 GIABRN Cc1ccc(-c2oc(/C=C/C(N)=O)cc2Br)c(Br)c1 ZINC000057353796 209212946 /nfs/dbraw/zinc/21/29/46/209212946.db2.gz DXBQJIBMBXBMNM-HWKANZROSA-N 0 0 385.055 4.279 40 0 GIABRN CCOC(=O)[C@@H]1CC(=O)N(c2cc(-c3nc4ccccc4o3)ccc2Cl)C1 ZINC000045887466 209196523 /nfs/dbraw/zinc/19/65/23/209196523.db2.gz VKVPSEABRCPRNX-CYBMUJFWSA-N 0 0 384.819 4.064 40 0 GIABRN Cn1c(SCc2ccccc2)nnc1[C@@H]1CCCN1C(=O)NC1CCCCC1 ZINC000005001587 209190521 /nfs/dbraw/zinc/19/05/21/209190521.db2.gz JTSDEBSYVLFARA-SFHVURJKSA-N 0 0 399.564 4.287 40 0 GIABRN O=C(c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F)N1CCCC1 ZINC000002475883 212062800 /nfs/dbraw/zinc/06/28/00/212062800.db2.gz XECRKJZXEWDTLZ-ONGXEEELSA-N 0 0 388.777 4.026 40 0 GIABRN Cc1cc(OCC(=O)NC(=S)N2CCCc3ccccc32)ccc1C(C)C ZINC000000950467 212061001 /nfs/dbraw/zinc/06/10/01/212061001.db2.gz GAIMBIKEYLIDMU-UHFFFAOYSA-N 0 0 382.529 4.351 40 0 GIABRN O=C(COc1ccc(F)cc1)Nc1ccn(Cc2cccc3ccccc32)n1 ZINC000001429798 212061046 /nfs/dbraw/zinc/06/10/46/212061046.db2.gz FLOKLSINNNHSMI-UHFFFAOYSA-N 0 0 375.403 4.241 40 0 GIABRN O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2CN(Cc3ccsc3)C[C@@H]21 ZINC000306141340 212055913 /nfs/dbraw/zinc/05/59/13/212055913.db2.gz VSQWMVTZFPJMOA-HKUYNNGSSA-N 0 0 387.551 4.232 40 0 GIABRN COc1ncccc1CN1CCC[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306144026 212055431 /nfs/dbraw/zinc/05/54/31/212055431.db2.gz YTSHXRXJMZZCSC-HXUWFJFHSA-N 0 0 385.471 4.137 40 0 GIABRN CC(C)CC(=O)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC(C)C)c12 ZINC000306143442 212054585 /nfs/dbraw/zinc/05/45/85/212054585.db2.gz YCKYJFSQFJUIMZ-UHFFFAOYSA-N 0 0 381.520 4.462 40 0 GIABRN CC(=O)N[C@H]1CCCC[C@]12CN(Cc1csc3ccc(Cl)cc13)CCO2 ZINC000306139099 212053314 /nfs/dbraw/zinc/05/33/14/212053314.db2.gz SPIDTRYOCVOXPE-PMACEKPBSA-N 0 0 392.952 4.204 40 0 GIABRN Cc1cccc(CN2C[C@@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@@H]3C2)c1 ZINC000306136215 212051960 /nfs/dbraw/zinc/05/19/60/212051960.db2.gz PNATYWRVLOVYEE-DENIHFKCSA-N 0 0 379.481 4.010 40 0 GIABRN O=C1c2cccn2[C@@H]2CN(Cc3ccc(Cl)cc3)C[C@@H]2N1Cc1cccs1 ZINC000306133848 212051306 /nfs/dbraw/zinc/05/13/06/212051306.db2.gz MXUJVUKRPRTQBC-UXHICEINSA-N 0 0 397.931 4.285 40 0 GIABRN CC(C)n1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccco2)CC1 ZINC000306130464 212046980 /nfs/dbraw/zinc/04/69/80/212046980.db2.gz JHFHZCVWHQCYIQ-UHFFFAOYSA-N 0 0 377.444 4.248 40 0 GIABRN O=C(c1ccccn1)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257335593 212028240 /nfs/dbraw/zinc/02/82/40/212028240.db2.gz YKYSHDUDLYTLAP-INIZCTEOSA-N 0 0 381.863 4.334 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC(c3cccc(Nc4ncccc4C)n3)CC2)o1 ZINC000257345097 212027696 /nfs/dbraw/zinc/02/76/96/212027696.db2.gz ZZYXMTFPAXRUSV-UHFFFAOYSA-N 0 0 391.475 4.153 40 0 GIABRN C[C@H](OC(=O)c1ccccc1)C(=O)OCCCCCC(=O)OCc1ccccc1 ZINC000263583710 212030702 /nfs/dbraw/zinc/03/07/02/212030702.db2.gz URTKBPOZBABYNW-SFHVURJKSA-N 0 0 398.455 4.079 40 0 GIABRN COc1ncccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257341984 212027279 /nfs/dbraw/zinc/02/72/79/212027279.db2.gz ZMPQJOHQTKFREV-LJQANCHMSA-N 0 0 395.434 4.176 40 0 GIABRN Cc1cccc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)n1 ZINC000257333775 212026549 /nfs/dbraw/zinc/02/65/49/212026549.db2.gz YCZBOIZEAPGPDK-HXUWFJFHSA-N 0 0 379.435 4.475 40 0 GIABRN O=C(c1cccnn1)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257320071 212023290 /nfs/dbraw/zinc/02/32/90/212023290.db2.gz VVFPCORDRGMLEY-SFHVURJKSA-N 0 0 382.851 4.076 40 0 GIABRN Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(-c3ccccc3C(=O)[O-])cc2)cc(=O)[nH]1 ZINC000257313740 212022307 /nfs/dbraw/zinc/02/23/07/212022307.db2.gz UTXQPQPYTAKEBQ-OAQYLSRUSA-N 0 0 389.455 4.193 40 0 GIABRN C[C@]1(O)CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC[C@@H]1Oc1ccccc1 ZINC000257311888 212022414 /nfs/dbraw/zinc/02/24/14/212022414.db2.gz ULKZEKKFBFMHIP-GMAHTHKFSA-N 0 0 395.430 4.130 40 0 GIABRN CCc1onc(C)c1-c1cccc(C2CCN(C(=O)c3ccccn3)CC2)n1 ZINC000257313109 212022058 /nfs/dbraw/zinc/02/20/58/212022058.db2.gz URBZJKDPCJOJQI-UHFFFAOYSA-N 0 0 376.460 4.022 40 0 GIABRN C[C@@]12C[C@H](c3ccccc3)N(C(=O)CC3CCCCC3)[C@@H]1CCC[C@H](O)[C@@H]2O ZINC000257306055 212021598 /nfs/dbraw/zinc/02/15/98/212021598.db2.gz SSSDALSSYCWUQL-PEKPJSAASA-N 0 0 385.548 4.211 40 0 GIABRN Cc1noc(C)c1-c1cc(C)nc([C@@H]2CCCCN2C(=O)c2ccc(O)cc2)n1 ZINC000257312808 212021253 /nfs/dbraw/zinc/02/12/53/212021253.db2.gz UPPQKJRFLZZROV-IBGZPJMESA-N 0 0 392.459 4.130 40 0 GIABRN Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3ccccc3C(=O)[O-])cc2)cc(=O)[nH]1 ZINC000257313739 212021307 /nfs/dbraw/zinc/02/13/07/212021307.db2.gz UTXQPQPYTAKEBQ-NRFANRHFSA-N 0 0 389.455 4.193 40 0 GIABRN CC(C)C[C@@H]1[C@H](Nc2cccc(F)c2)CCCN1C(=O)CCc1cnn(C)c1 ZINC000257300910 212019970 /nfs/dbraw/zinc/01/99/70/212019970.db2.gz RWEVUNZETFSLHV-NHCUHLMSSA-N 0 0 386.515 4.010 40 0 GIABRN Clc1ccccc1CN1CCO[C@H](c2cc(CCOc3ccccc3)n[nH]2)C1 ZINC000257297592 212019365 /nfs/dbraw/zinc/01/93/65/212019365.db2.gz RHZAYTTWAYKQGJ-QFIPXVFZSA-N 0 0 397.906 4.258 40 0 GIABRN Cc1nc(C)c(CC(=O)N2C[C@@H]3CC[C@H](Oc4ccc(Cl)cc4)[C@@H]3C2)s1 ZINC000257291426 212018420 /nfs/dbraw/zinc/01/84/20/212018420.db2.gz QGXGTYIGGWMDFW-QGTPRVQTSA-N 0 0 390.936 4.272 40 0 GIABRN COc1ccc(C2(C(=O)N3CCC[C@H](c4cnccn4)C3)CCCCC2)cc1 ZINC000257285328 212017356 /nfs/dbraw/zinc/01/73/56/212017356.db2.gz PGQLITHPGIIQLD-SFHVURJKSA-N 0 0 379.504 4.093 40 0 GIABRN CCC(=O)N1CCC(Cc2ccccc2-c2cccs2)(C(=O)N(C)C)CC1 ZINC000257279431 212015985 /nfs/dbraw/zinc/01/59/85/212015985.db2.gz OGORSGJTFLEAMP-UHFFFAOYSA-N 0 0 384.545 4.065 40 0 GIABRN CCn1cc(CN2CCO[C@H](c3cc(Cc4ccccc4)cc(C)n3)C2)c(C)n1 ZINC000257273385 212015061 /nfs/dbraw/zinc/01/50/61/212015061.db2.gz NGIZJQXJSJDGBE-DEOSSOPVSA-N 0 0 390.531 4.079 40 0 GIABRN O=C(c1cncs1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257270677 212013809 /nfs/dbraw/zinc/01/38/09/212013809.db2.gz MVFRGVDPVVKIRT-CQSZACIVSA-N 0 0 387.892 4.395 40 0 GIABRN O=C(c1cccnc1)N1CCC(CCc2ccnc(Nc3ccccn3)c2)CC1 ZINC000257258915 212012673 /nfs/dbraw/zinc/01/26/73/212012673.db2.gz KWBSJYUHUFNTBG-UHFFFAOYSA-N 0 0 387.487 4.100 40 0 GIABRN CC(C)(C)OC(=O)N1CC[C@@H]2O[C@@H]3c4cccc(O)c4OC(C)(C)[C@H]3C[C@@H]21 ZINC000257250890 212010383 /nfs/dbraw/zinc/01/03/83/212010383.db2.gz JOLPDACHRNZXIW-NXNVCVFFSA-N 0 0 375.465 4.019 40 0 GIABRN COc1cccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4ccccn4)C3)c2)c1 ZINC000257236831 212009320 /nfs/dbraw/zinc/00/93/20/212009320.db2.gz HDZMDAXBGYQNKY-IBGZPJMESA-N 0 0 387.483 4.480 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccncc2)n1 ZINC000329070020 209159632 /nfs/dbraw/zinc/15/96/32/209159632.db2.gz ZCWSLWNVHULKOM-CYBMUJFWSA-N 0 0 387.409 4.355 40 0 GIABRN Cc1ccc(Nc2cc(-c3cccnc3)nc(N[C@H](CO)C(C)C)n2)cc1Cl ZINC000329049562 209159225 /nfs/dbraw/zinc/15/92/25/209159225.db2.gz UQDIRKIFVABJBA-LJQANCHMSA-N 0 0 397.910 4.095 40 0 GIABRN CCOc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)cc1OC ZINC000257240455 212008508 /nfs/dbraw/zinc/00/85/08/212008508.db2.gz HTOGRKQLBZPWCZ-ABZCRWFKSA-N 0 0 387.520 4.112 40 0 GIABRN COCCCNC(=O)Cc1ccc2c(c1)C[C@@](C)(Cc1ccc(C(C)C)cc1)O2 ZINC000257239228 212008240 /nfs/dbraw/zinc/00/82/40/212008240.db2.gz HONGRBMTDVJRLQ-RUZDIDTESA-N 0 0 395.543 4.442 40 0 GIABRN O=C(COc1ccccc1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257226292 212007889 /nfs/dbraw/zinc/00/78/89/212007889.db2.gz FKACNXIPMXMQAR-GOSISDBHSA-N 0 0 394.446 4.190 40 0 GIABRN COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cccc(C)n2)o1 ZINC000257227839 212007838 /nfs/dbraw/zinc/00/78/38/212007838.db2.gz FREMOGHIAUXKDL-FQEVSTJZSA-N 0 0 391.471 4.345 40 0 GIABRN COc1ccc(F)cc1-c1cccc(CC2(C(=O)N3CCCC3)CCOCC2)c1 ZINC000257198182 212001292 /nfs/dbraw/zinc/00/12/92/212001292.db2.gz VJSVFLOMWKOAKN-UHFFFAOYSA-N 0 0 397.490 4.463 40 0 GIABRN CCNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2ccncc2)n1 ZINC000329035436 209158121 /nfs/dbraw/zinc/15/81/21/209158121.db2.gz RETKZIMTGBURQX-UHFFFAOYSA-N 0 0 393.800 4.230 40 0 GIABRN O=C(COc1cccnc1)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257225198 212006978 /nfs/dbraw/zinc/00/69/78/212006978.db2.gz FFGOHLXYSRMVBA-LJQANCHMSA-N 0 0 397.862 4.056 40 0 GIABRN CCc1cccc(C)c1Nc1cc(-c2cccnc2)nc(N[C@H](CO)C(C)C)n1 ZINC000329033791 209157888 /nfs/dbraw/zinc/15/78/88/209157888.db2.gz QWCHMYGYCVVSMP-HXUWFJFHSA-N 0 0 391.519 4.004 40 0 GIABRN COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3ccccn3)o2)c1 ZINC000257230983 212006452 /nfs/dbraw/zinc/00/64/52/212006452.db2.gz GESKPUBZXUOXLW-FQEVSTJZSA-N 0 0 377.444 4.036 40 0 GIABRN Cc1ncsc1CN1CCO[C@]2(CO[C@@H](c3ccccc3)[C@H](C(C)C)C2)C1 ZINC000257219731 212005624 /nfs/dbraw/zinc/00/56/24/212005624.db2.gz DHXIKAVUHGCQPK-BVSLBCMMSA-N 0 0 386.561 4.456 40 0 GIABRN Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)C1 ZINC000257216107 212005408 /nfs/dbraw/zinc/00/54/08/212005408.db2.gz CTCWFPDDUPFYBX-LJQANCHMSA-N 0 0 389.499 4.240 40 0 GIABRN Cc1noc(C)c1-c1ccnc(C2CCN(C(=O)c3ccc(O)cc3)CC2)c1 ZINC000257221331 212005332 /nfs/dbraw/zinc/00/53/32/212005332.db2.gz DOOAKWZTOLBPJN-UHFFFAOYSA-N 0 0 377.444 4.079 40 0 GIABRN COc1ccccc1C(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257219512 212004775 /nfs/dbraw/zinc/00/47/75/212004775.db2.gz DHBDBWNMFUUBTH-IBGZPJMESA-N 0 0 380.419 4.390 40 0 GIABRN CCNc1nc(Nc2ccccc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329027309 209157607 /nfs/dbraw/zinc/15/76/07/209157607.db2.gz PRRUXSSPZNUPRU-UHFFFAOYSA-N 0 0 392.356 4.201 40 0 GIABRN Cc1ccc(N2CCC([N@H+](CC(=O)[O-])Cc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000257213335 212003356 /nfs/dbraw/zinc/00/33/56/212003356.db2.gz CHCXTWPBNPHYNY-UHFFFAOYSA-N 0 0 390.886 4.343 40 0 GIABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1[nH]c3ccc(F)cc3c1C)C2 ZINC000257204678 212002696 /nfs/dbraw/zinc/00/26/96/212002696.db2.gz AVVSHHMDXYSHDX-YLTWVVNKSA-N 0 0 397.494 4.010 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(Nc2c(F)cccc2F)cc(-c2ccccc2)n1 ZINC000329003431 209155923 /nfs/dbraw/zinc/15/59/23/209155923.db2.gz KNBSPQJDOLDFPU-SFHVURJKSA-N 0 0 384.430 4.016 40 0 GIABRN Fc1cc(F)c(F)c(NN=c2cc(-c3ccccc3)nc(NC3CC3)[nH]2)c1F ZINC000328995148 209155336 /nfs/dbraw/zinc/15/53/36/209155336.db2.gz JGUHQYJWUXPTSL-UHFFFAOYSA-N 0 0 389.356 4.135 40 0 GIABRN Cc1ccccc1NC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000225980378 211937238 /nfs/dbraw/zinc/93/72/38/211937238.db2.gz MDTKXIPLZLPWDJ-UHFFFAOYSA-N 0 0 394.496 4.001 40 0 GIABRN Fc1cccc(Cl)c1Nc1cc(-c2ccncc2)nc(NC2CCCC2)n1 ZINC000329007679 209155436 /nfs/dbraw/zinc/15/54/36/209155436.db2.gz LMQVSUGAUMAENX-UHFFFAOYSA-N 0 0 383.858 4.273 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2ccc3sc(C)nc3c2)cc(-c2ccncc2)n1 ZINC000328987632 209155505 /nfs/dbraw/zinc/15/55/05/209155505.db2.gz ICCYHHFFEFPIFE-ZDUSSCGKSA-N 0 0 390.516 4.255 40 0 GIABRN CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 ZINC000225818642 211930675 /nfs/dbraw/zinc/93/06/75/211930675.db2.gz VDNVCOPKFJFJJW-OAQYLSRUSA-N 0 0 379.497 4.288 40 0 GIABRN O=C(c1ccccc1)N1CCC2(CC1)CC(=O)c1cc3c(cc1O2)CCCC3 ZINC000225825790 211930845 /nfs/dbraw/zinc/93/08/45/211930845.db2.gz NWZWRQJAAUJKBD-UHFFFAOYSA-N 0 0 375.468 4.206 40 0 GIABRN CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(C(F)(F)F)cc1O2 ZINC000225822229 211930299 /nfs/dbraw/zinc/93/02/99/211930299.db2.gz IUEOLXHXYVRTQJ-UHFFFAOYSA-N 0 0 385.382 4.440 40 0 GIABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1 ZINC000225810968 211929568 /nfs/dbraw/zinc/92/95/68/211929568.db2.gz GQAXLGREHGTQMX-ZDUSSCGKSA-N 0 0 394.393 4.251 40 0 GIABRN COC(=O)c1cc(NC(=O)C2(OC)CCCCCC2)ccc1OCC(C)C ZINC000225806228 211929061 /nfs/dbraw/zinc/92/90/61/211929061.db2.gz NVHRQRVWXSYSTE-UHFFFAOYSA-N 0 0 377.481 4.186 40 0 GIABRN COc1ccc(CNC(=O)c2cc(C(C)C)c(OC)cc2C)c(OC)c1OC ZINC000225665530 211914898 /nfs/dbraw/zinc/91/48/98/211914898.db2.gz SXTSNGNTLUNQBI-UHFFFAOYSA-N 0 0 387.476 4.083 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225713407 211920786 /nfs/dbraw/zinc/92/07/86/211920786.db2.gz WMKULIXZIGUKEW-JOCHJYFZSA-N 0 0 380.532 4.178 40 0 GIABRN CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225511912 211902486 /nfs/dbraw/zinc/90/24/86/211902486.db2.gz WRHXSIJBHFASOT-HXUWFJFHSA-N 0 0 394.559 4.432 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)Cc2cccc(Br)c2)c(C)c1 ZINC000225617200 211911505 /nfs/dbraw/zinc/91/15/05/211911505.db2.gz NBBYHPCSWCFYIW-UHFFFAOYSA-N 0 0 376.250 4.115 40 0 GIABRN COc1ccc(NC(=S)NCCCSCc2ccc(F)cc2)c(OC)c1 ZINC000225614682 211911239 /nfs/dbraw/zinc/91/12/39/211911239.db2.gz IVUMBZUABVDFOP-UHFFFAOYSA-N 0 0 394.537 4.453 40 0 GIABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)Cc1cccc(Br)c1 ZINC000225614867 211910840 /nfs/dbraw/zinc/91/08/40/211910840.db2.gz QZWLGJRPEDAEGT-ZDUSSCGKSA-N 0 0 389.293 4.159 40 0 GIABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000225599236 211908639 /nfs/dbraw/zinc/90/86/39/211908639.db2.gz NFVGXJNUHOSZDL-QGZVFWFLSA-N 0 0 383.473 4.318 40 0 GIABRN CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225452859 211898801 /nfs/dbraw/zinc/89/88/01/211898801.db2.gz AKGRQFXOPZQCBG-QHCPKHFHSA-N 0 0 394.559 4.222 40 0 GIABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000225453518 211898470 /nfs/dbraw/zinc/89/84/70/211898470.db2.gz FBXYCNWYJQATAF-MRXNPFEDSA-N 0 0 378.472 4.098 40 0 GIABRN COc1ccc(CNC(=O)CCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000225358675 211893014 /nfs/dbraw/zinc/89/30/14/211893014.db2.gz BNARYDCSXGFEPQ-UHFFFAOYSA-N 0 0 398.286 4.268 40 0 GIABRN COc1ccc(OCCCC(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 ZINC000225298009 211889739 /nfs/dbraw/zinc/88/97/39/211889739.db2.gz HGMBQBJYXKCODF-UHFFFAOYSA-N 0 0 383.473 4.320 40 0 GIABRN CC(C)(C)c1ccc(OCCNC(=O)COc2cccc3c2CCCC3)cc1 ZINC000225181705 211885890 /nfs/dbraw/zinc/88/58/90/211885890.db2.gz OJIYUJMUHJOAJZ-UHFFFAOYSA-N 0 0 381.516 4.437 40 0 GIABRN CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C)cc1 ZINC000225349627 211891964 /nfs/dbraw/zinc/89/19/64/211891964.db2.gz POJQAWDORWZEQK-LEWJYISDSA-N 0 0 392.528 4.384 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C ZINC000225043809 211881005 /nfs/dbraw/zinc/88/10/05/211881005.db2.gz YUCYSAIZCJQLJX-NHCUHLMSSA-N 0 0 394.559 4.486 40 0 GIABRN CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCSc1ccccc1 ZINC000225041311 211880182 /nfs/dbraw/zinc/88/01/82/211880182.db2.gz JKIYKSZEWDNTNJ-LJQANCHMSA-N 0 0 398.572 4.155 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccnc2)N1C1CCCC1 ZINC000225006399 211878581 /nfs/dbraw/zinc/87/85/81/211878581.db2.gz QPNSQEJTUMLRCJ-LEWJYISDSA-N 0 0 389.528 4.182 40 0 GIABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccs2)c1 ZINC000224827102 211874012 /nfs/dbraw/zinc/87/40/12/211874012.db2.gz FIALHFPOUIDEIE-MOPGFXCFSA-N 0 0 397.525 4.337 40 0 GIABRN CCc1ccc(CCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)cc1 ZINC000224668960 211869546 /nfs/dbraw/zinc/86/95/46/211869546.db2.gz DFABSRPBCJUEJH-GOSISDBHSA-N 0 0 398.522 4.263 40 0 GIABRN CCCc1ccc(OCCNS(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1 ZINC000224637594 211869370 /nfs/dbraw/zinc/86/93/70/211869370.db2.gz DYYIWGGJWXTFEV-UHFFFAOYSA-N 0 0 391.533 4.128 40 0 GIABRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c(C)c1 ZINC000224576266 211867250 /nfs/dbraw/zinc/86/72/50/211867250.db2.gz VIWZBXALAIOFBP-KRWDZBQOSA-N 0 0 375.534 4.347 40 0 GIABRN CC(C)c1ccccc1O[C@H](C)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000224522817 211866256 /nfs/dbraw/zinc/86/62/56/211866256.db2.gz UVMYZWGEHQDIPL-LJQANCHMSA-N 0 0 381.516 4.442 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000224213905 211857116 /nfs/dbraw/zinc/85/71/16/211857116.db2.gz JQNGSYBAVVGKMY-CQSZACIVSA-N 0 0 394.924 4.002 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224174980 211856081 /nfs/dbraw/zinc/85/60/81/211856081.db2.gz KEZZOONGWHBUGQ-OAQYLSRUSA-N 0 0 394.559 4.344 40 0 GIABRN Cc1ccccc1CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NCC(C)C ZINC000224142680 211853910 /nfs/dbraw/zinc/85/39/10/211853910.db2.gz BQORBKKVTNJGAG-FQEVSTJZSA-N 0 0 380.532 4.035 40 0 GIABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)[nH]1 ZINC000223885203 211846903 /nfs/dbraw/zinc/84/69/03/211846903.db2.gz GJUKDBXWUDQHOK-RTWAWAEBSA-N 0 0 391.544 4.270 40 0 GIABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000223869708 211845964 /nfs/dbraw/zinc/84/59/64/211845964.db2.gz CHRKPHSFKMXLCU-GOSISDBHSA-N 0 0 396.506 4.234 40 0 GIABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000223771588 211845508 /nfs/dbraw/zinc/84/55/08/211845508.db2.gz YURIOZVJCQYMFZ-HXUWFJFHSA-N 0 0 387.907 4.362 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223812817 211844998 /nfs/dbraw/zinc/84/49/98/211844998.db2.gz WKGYWUSXJMENBU-FQEVSTJZSA-N 0 0 392.543 4.322 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223826135 211843882 /nfs/dbraw/zinc/84/38/82/211843882.db2.gz WHLWZTGDHDPTKO-SFHVURJKSA-N 0 0 398.522 4.435 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C ZINC000223591083 211837222 /nfs/dbraw/zinc/83/72/22/211837222.db2.gz JFRRKBFBKZKKQW-LJQANCHMSA-N 0 0 396.531 4.051 40 0 GIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCOc1cccc2ccccc21 ZINC000223552334 211836700 /nfs/dbraw/zinc/83/67/00/211836700.db2.gz NHLMTXRKAXSIKC-OAQYLSRUSA-N 0 0 379.456 4.201 40 0 GIABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C ZINC000223379934 211831100 /nfs/dbraw/zinc/83/11/00/211831100.db2.gz SLHYTNMPJUOOLP-SFTDATJTSA-N 0 0 376.529 4.210 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccccc1OC ZINC000223123088 211823708 /nfs/dbraw/zinc/82/37/08/211823708.db2.gz HSVAUUGXYAMXJU-JOCHJYFZSA-N 0 0 381.516 4.480 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl ZINC000223194239 211825531 /nfs/dbraw/zinc/82/55/31/211825531.db2.gz NHUJHDSLWAFXBO-GOSISDBHSA-N 0 0 393.314 4.089 40 0 GIABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 ZINC000222957237 211817153 /nfs/dbraw/zinc/81/71/53/211817153.db2.gz WRAZWVHLHBONDO-NHCUHLMSSA-N 0 0 391.544 4.099 40 0 GIABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cn1 ZINC000222953547 211816938 /nfs/dbraw/zinc/81/69/38/211816938.db2.gz XEBZIWOXEQWURE-LEWJYISDSA-N 0 0 391.544 4.348 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 ZINC000223016018 211819270 /nfs/dbraw/zinc/81/92/70/211819270.db2.gz IZLJSHZKOKPABB-FQEVSTJZSA-N 0 0 384.545 4.031 40 0 GIABRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)c(C)c1 ZINC000222799604 211811967 /nfs/dbraw/zinc/81/19/67/211811967.db2.gz CMVNWZUOGGLYCH-RTWAWAEBSA-N 0 0 376.529 4.482 40 0 GIABRN COc1cc2c(cc1S(=O)(=O)NCc1cccc3ccccc31)CCCC2 ZINC000222896909 211815983 /nfs/dbraw/zinc/81/59/83/211815983.db2.gz MOSBDTBKAGBQFD-UHFFFAOYSA-N 0 0 381.497 4.206 40 0 GIABRN COc1cc(OC)cc(C(=O)NCCCNc2ccnc3cc(Cl)ccc32)c1 ZINC000222932941 211815681 /nfs/dbraw/zinc/81/56/81/211815681.db2.gz JFOLDCRWOMZMJQ-UHFFFAOYSA-N 0 0 399.878 4.137 40 0 GIABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000222890051 211813463 /nfs/dbraw/zinc/81/34/63/211813463.db2.gz HOQIFTHNJVREDQ-MOPGFXCFSA-N 0 0 397.935 4.303 40 0 GIABRN Cc1ccc(C)c(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222895486 211813518 /nfs/dbraw/zinc/81/35/18/211813518.db2.gz OSSYTQCQYRIMPZ-SFHVURJKSA-N 0 0 398.522 4.317 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)Cc1ccc(Cl)cc1F ZINC000222872429 211813311 /nfs/dbraw/zinc/81/33/11/211813311.db2.gz ZSVHORVHBJNPLL-UHFFFAOYSA-N 0 0 379.844 4.182 40 0 GIABRN Cc1ccccc1CN(C(=O)Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(C)(C)C ZINC000222710593 211808781 /nfs/dbraw/zinc/80/87/81/211808781.db2.gz RSSZGAZJPVSXJU-KRWDZBQOSA-N 0 0 384.495 4.009 40 0 GIABRN O=C(CSCc1ccccc1F)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000222713110 211808793 /nfs/dbraw/zinc/80/87/93/211808793.db2.gz ZOKXWIUDFWHFNN-UHFFFAOYSA-N 0 0 391.855 4.079 40 0 GIABRN C[C@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000222693480 211808932 /nfs/dbraw/zinc/80/89/32/211808932.db2.gz QCNZARAHFPLBLC-AWEZNQCLSA-N 0 0 375.852 4.148 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccccc1F ZINC000222711893 211808689 /nfs/dbraw/zinc/80/86/89/211808689.db2.gz XGMVLIDRTRPNCP-SFHVURJKSA-N 0 0 389.492 4.486 40 0 GIABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1Cc1ccccc1 ZINC000222736626 211808747 /nfs/dbraw/zinc/80/87/47/211808747.db2.gz HYWCCZGDPOFQJR-SFTDATJTSA-N 0 0 376.529 4.151 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222488826 211803129 /nfs/dbraw/zinc/80/31/29/211803129.db2.gz PIOPBSWZLUHOPF-AWEZNQCLSA-N 0 0 393.314 4.008 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1ccc(C)cc1C ZINC000219539222 211773972 /nfs/dbraw/zinc/77/39/72/211773972.db2.gz FEHRANBQEMUCRP-OAHLLOKOSA-N 0 0 385.489 4.231 40 0 GIABRN COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccc(C)c(C)c1)CC(C)(C)O2 ZINC000219518987 211773405 /nfs/dbraw/zinc/77/34/05/211773405.db2.gz CCXDGKIEWWLQGF-JXFKEZNVSA-N 0 0 383.488 4.498 40 0 GIABRN COc1ccc2c(c1)[C@H](NC(=O)COc1cc(C)cc(C)c1C)CC(C)(C)O2 ZINC000218969482 211764185 /nfs/dbraw/zinc/76/41/85/211764185.db2.gz BEUNHAPPLKDNHY-LJQANCHMSA-N 0 0 383.488 4.418 40 0 GIABRN Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C)c(C)c3)o2)cc1 ZINC000216030467 211743492 /nfs/dbraw/zinc/74/34/92/211743492.db2.gz WBULJBDKNCDBFN-UHFFFAOYSA-N 0 0 383.473 4.305 40 0 GIABRN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)cc1)S[C@@H](C)C(=O)N2 ZINC000006679044 211580802 /nfs/dbraw/zinc/58/08/02/211580802.db2.gz YKYZPBJYYHWWAN-IFXJQAMLSA-N 0 0 379.485 4.358 40 0 GIABRN Cc1cccc(C(=O)NC2CCN(C(=S)Nc3ccc(C)c(C)c3)CC2)c1 ZINC000004857722 211553099 /nfs/dbraw/zinc/55/30/99/211553099.db2.gz RPCILYLCTOELAZ-UHFFFAOYSA-N 0 0 381.545 4.203 40 0 GIABRN COc1ccc2cc3c(N)c(C(=O)Nc4ccc5c(c4)OCO5)sc3nc2c1 ZINC000004848803 211550305 /nfs/dbraw/zinc/55/03/05/211550305.db2.gz SHENQOOCNYDKDX-UHFFFAOYSA-N 0 0 393.424 4.021 40 0 GIABRN CCCCN(C(=O)C(F)(F)F)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000004570679 211548027 /nfs/dbraw/zinc/54/80/27/211548027.db2.gz MDTRVLFFRQOTFV-CQSZACIVSA-N 0 0 376.444 4.039 40 0 GIABRN CCOC(=O)C(C)(C)Sc1nnc(COc2cccc3ccccc32)n1CC ZINC000004169195 211534961 /nfs/dbraw/zinc/53/49/61/211534961.db2.gz UJMWOAKLRABCKI-UHFFFAOYSA-N 0 0 399.516 4.464 40 0 GIABRN O=C(O[C@H](C(=O)NCc1ccco1)c1ccc(Cl)cc1)c1cccs1 ZINC000001381233 211510101 /nfs/dbraw/zinc/51/01/01/211510101.db2.gz IMKQJKRVZIUETI-INIZCTEOSA-N 0 0 375.833 4.209 40 0 GIABRN COc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)n2)c1 ZINC000001362411 211506523 /nfs/dbraw/zinc/50/65/23/211506523.db2.gz GFPNUNCXLZAOLL-MRXNPFEDSA-N 0 0 397.862 4.418 40 0 GIABRN COc1ccccc1CCC(=O)N(CC(C)C)c1nnc(-c2ccncc2)s1 ZINC000001356733 211506210 /nfs/dbraw/zinc/50/62/10/211506210.db2.gz DVTMPKXHQZPTBE-UHFFFAOYSA-N 0 0 396.516 4.231 40 0 GIABRN COC(=O)c1ccccc1NC(=S)N1CCC(c2nc3ccccc3o2)CC1 ZINC000001327223 211503718 /nfs/dbraw/zinc/50/37/18/211503718.db2.gz GGJWVDQDKSAXHQ-UHFFFAOYSA-N 0 0 395.484 4.191 40 0 GIABRN Cc1cc2cc(C)c(C)cc2n2c(SCC(=O)N3CCCC[C@H]3C)nnc12 ZINC000001223244 211503754 /nfs/dbraw/zinc/50/37/54/211503754.db2.gz XETPKLBDGGRNLI-MRXNPFEDSA-N 0 0 382.533 4.301 40 0 GIABRN Cc1cc2c(C)ccc(C)c2n2c(SCC(=O)N3CCCCCC3)nnc12 ZINC000000929724 211498593 /nfs/dbraw/zinc/49/85/93/211498593.db2.gz YRJIDCYTRQCJQD-UHFFFAOYSA-N 0 0 382.533 4.302 40 0 GIABRN COc1ccc(CN(Cc2cccnc2)C(=S)NC2CCCCC2)cc1OC ZINC000000933364 211497715 /nfs/dbraw/zinc/49/77/15/211497715.db2.gz QOBBAMBJOLTSKQ-UHFFFAOYSA-N 0 0 399.560 4.308 40 0 GIABRN CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(F)c1 ZINC000000905063 211496789 /nfs/dbraw/zinc/49/67/89/211496789.db2.gz HKUAWHNJDKCDDP-UHFFFAOYSA-N 0 0 399.495 4.088 40 0 GIABRN CCCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccncc1 ZINC000000796411 211489673 /nfs/dbraw/zinc/48/96/73/211489673.db2.gz IBACITNYSQVNLF-UHFFFAOYSA-N 0 0 381.505 4.043 40 0 GIABRN CCOc1ccccc1N1C(=O)C[C@H](Nc2ccc(Cl)cc2Cl)C1=O ZINC000101276201 211396566 /nfs/dbraw/zinc/39/65/66/211396566.db2.gz QJIRJKOQMBGQHD-AWEZNQCLSA-N 0 0 379.243 4.136 40 0 GIABRN Cc1ccc([C@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101063124 211395162 /nfs/dbraw/zinc/39/51/62/211395162.db2.gz AWFRYIXNFIETFH-VJBWXMMDSA-N 0 0 398.462 4.355 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)C[C@H]3C=CCC3)CC2)on1 ZINC000100743740 211391358 /nfs/dbraw/zinc/39/13/58/211391358.db2.gz FMGZPMCFCCNLRX-GBESFXJTSA-N 0 0 394.519 4.495 40 0 GIABRN Cc1csc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccncc4)o3)CC2)c1 ZINC000100155788 211384964 /nfs/dbraw/zinc/38/49/64/211384964.db2.gz ZUZXVQGAOCVHBM-GASCZTMLSA-N 0 0 382.489 4.205 40 0 GIABRN Cc1oc(C2CC2)cc1C(=O)NC[C@H]1CC[C@H](c2nn(C)c3ncccc32)CC1 ZINC000100216413 211384611 /nfs/dbraw/zinc/38/46/11/211384611.db2.gz ANROAAAZWGITDO-WOVMCDHWSA-N 0 0 392.503 4.451 40 0 GIABRN Cc1ccc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccc(C)nc4)o3)CC2)cc1 ZINC000100155876 211383136 /nfs/dbraw/zinc/38/31/36/211383136.db2.gz IYRXRQYIECFDOU-IZAXUBKRSA-N 0 0 390.487 4.452 40 0 GIABRN CC(=O)N1CCC2(C=C(C(=O)Nc3ccc4[nH]ccc4c3)c3ccccc32)CC1 ZINC000096157045 211313109 /nfs/dbraw/zinc/31/31/09/211313109.db2.gz SEVWOKGGOCLVEF-UHFFFAOYSA-N 0 0 385.467 4.084 40 0 GIABRN O=C(NCCc1ccncc1)c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12 ZINC000096154741 211312002 /nfs/dbraw/zinc/31/20/02/211312002.db2.gz DDMYJJHHSDUVSL-UHFFFAOYSA-N 0 0 399.498 4.285 40 0 GIABRN O=C(NCCc1ccccn1)c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12 ZINC000096154742 211311459 /nfs/dbraw/zinc/31/14/59/211311459.db2.gz CKMRMHHIQKNKDD-UHFFFAOYSA-N 0 0 399.498 4.285 40 0 GIABRN O=C(NC1CCCC1)N1CCC2(CCn3c(-c4cccc(F)c4)cnc32)CC1 ZINC000096243538 211325139 /nfs/dbraw/zinc/32/51/39/211325139.db2.gz KLJZNBTVFNGPJZ-UHFFFAOYSA-N 0 0 382.483 4.079 40 0 GIABRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)COc1ccccc1Cl ZINC000096234463 211323691 /nfs/dbraw/zinc/32/36/91/211323691.db2.gz BGQHAXJNSDWKNI-UHFFFAOYSA-N 0 0 392.242 4.081 40 0 GIABRN Cn1cnc2c1cc(C1CCN(C(=O)c3ccncc3)CC1)nc2-c1ccccc1 ZINC000096099935 211300506 /nfs/dbraw/zinc/30/05/06/211300506.db2.gz MYGAWMKKJTXTOC-UHFFFAOYSA-N 0 0 397.482 4.050 40 0 GIABRN O=C(C[C@@H]1CC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21)NC1CC1 ZINC000096053001 211297659 /nfs/dbraw/zinc/29/76/59/211297659.db2.gz PLLZLMCCHXUWKJ-QGZVFWFLSA-N 0 0 394.540 4.078 40 0 GIABRN Cc1ccc(NC(=O)c2cc(-c3cnc(N(C)C)nc3)cn2CC2CC2)cc1F ZINC000096037644 211297232 /nfs/dbraw/zinc/29/72/32/211297232.db2.gz OSWCXLAZVTVAQC-UHFFFAOYSA-N 0 0 393.466 4.121 40 0 GIABRN c1csc(CN2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)n1 ZINC000096038172 211296690 /nfs/dbraw/zinc/29/66/90/211296690.db2.gz GNWOQJFDEVZYBY-UHFFFAOYSA-N 0 0 375.501 4.232 40 0 GIABRN CCCCN(CC)C(=O)[C@H]1c2c(ncn2C(C)C)CCN1Cc1ccccc1 ZINC000096037527 211296101 /nfs/dbraw/zinc/29/61/01/211296101.db2.gz WFZTVSDHTJHCQR-JOCHJYFZSA-N 0 0 382.552 4.212 40 0 GIABRN CCc1nc2cccnc2n1[C@@H]1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC000072366018 211103045 /nfs/dbraw/zinc/10/30/45/211103045.db2.gz BOQLKRFBHJQHFN-OAHLLOKOSA-N 0 0 393.878 4.216 40 0 GIABRN c1ccc(-c2cnc3c(c2)[C@@H](NC2CC2)n2nc(-c4cccnc4)nc2S3)cc1 ZINC000072396308 211109842 /nfs/dbraw/zinc/10/98/42/211109842.db2.gz CJGUOVOAPNKZNW-FQEVSTJZSA-N 0 0 398.495 4.166 40 0 GIABRN Cn1cc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)Cc2cccc(Cl)c2)n1 ZINC000072390621 211107504 /nfs/dbraw/zinc/10/75/04/211107504.db2.gz HVOOAPWWIWMVPC-FQEVSTJZSA-N 0 0 394.906 4.432 40 0 GIABRN CC(C)c1nccn1-c1cncc([C@H]2CCCN2C(=O)CCc2ccccc2)n1 ZINC000072378530 211106610 /nfs/dbraw/zinc/10/66/10/211106610.db2.gz BWGCKHSBPYAQNI-HXUWFJFHSA-N 0 0 389.503 4.082 40 0 GIABRN Cc1ccc(Nc2nccc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)nc1 ZINC000072377519 211105675 /nfs/dbraw/zinc/10/56/75/211105675.db2.gz NJLDPXNHXBYZJM-QGZVFWFLSA-N 0 0 391.450 4.083 40 0 GIABRN Cc1cc(C)nc(Nc2ccc(C3CCN(C(=O)[C@H]4CC45CCC5)CC3)nc2)n1 ZINC000072374317 211105137 /nfs/dbraw/zinc/10/51/37/211105137.db2.gz DGXRACJCJIVGKN-LJQANCHMSA-N 0 0 391.519 4.128 40 0 GIABRN O=C([C@H]1CC12CCC2)N1CCC(c2ccc(Nc3ccc(F)cn3)cn2)CC1 ZINC000072374315 211105043 /nfs/dbraw/zinc/10/50/43/211105043.db2.gz NBYQRAWBJHBPGG-GOSISDBHSA-N 0 0 380.467 4.256 40 0 GIABRN O=C(CN1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1)Nc1nccs1 ZINC000072348882 211095478 /nfs/dbraw/zinc/09/54/78/211095478.db2.gz MNBWHEBCKMHELQ-HNNXBMFYSA-N 0 0 396.491 4.162 40 0 GIABRN O=C(CN1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1)Nc1nccs1 ZINC000072348881 211095356 /nfs/dbraw/zinc/09/53/56/211095356.db2.gz MNBWHEBCKMHELQ-OAHLLOKOSA-N 0 0 396.491 4.162 40 0 GIABRN C[C@H]1C[C@H]1C(=O)N1CC[C@H](c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C(C)(C)C)N3)C1 ZINC000072337829 211092798 /nfs/dbraw/zinc/09/27/98/211092798.db2.gz LMWTYJYVPCZGRO-CNBXADPUSA-N 0 0 398.473 4.189 40 0 GIABRN COc1cccc(Cc2cccc([C@@H]3CCCN3C(=O)c3scnc3C)n2)c1 ZINC000072358085 211099012 /nfs/dbraw/zinc/09/90/12/211099012.db2.gz FXJQYWWLIATNNR-FQEVSTJZSA-N 0 0 393.512 4.423 40 0 GIABRN COc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)c1 ZINC000072358633 211099072 /nfs/dbraw/zinc/09/90/72/211099072.db2.gz OIICGVUVVCKARK-HXUWFJFHSA-N 0 0 387.483 4.101 40 0 GIABRN Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)c4cnn(C)c4)C3)c2)c1 ZINC000072354155 211098847 /nfs/dbraw/zinc/09/88/47/211098847.db2.gz DCXNUZNRYDYKCL-NRFANRHFSA-N 0 0 388.515 4.043 40 0 GIABRN O=C(Cc1cccnc1)N1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072357908 211098617 /nfs/dbraw/zinc/09/86/17/211098617.db2.gz DRQGVRMGNYHNQM-QFIPXVFZSA-N 0 0 375.447 4.113 40 0 GIABRN Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)c4ccnn4C)C3)c2)c1 ZINC000072354085 211098371 /nfs/dbraw/zinc/09/83/71/211098371.db2.gz YWQLVKXHWIGSBJ-NRFANRHFSA-N 0 0 388.515 4.043 40 0 GIABRN Cc1n[nH]cc1C(=O)N1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072349768 211097602 /nfs/dbraw/zinc/09/76/02/211097602.db2.gz YXCHVFDHHRBGCD-KRWDZBQOSA-N 0 0 394.906 4.377 40 0 GIABRN COc1ccccc1Cc1cccc([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1 ZINC000072349175 211097202 /nfs/dbraw/zinc/09/72/02/211097202.db2.gz JANRJWPUPHUXFK-HXUWFJFHSA-N 0 0 387.483 4.096 40 0 GIABRN COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4ccncc4)C3)n2)c1 ZINC000072349428 211097221 /nfs/dbraw/zinc/09/72/21/211097221.db2.gz OOMSNKRWSJJCHS-HXUWFJFHSA-N 0 0 387.483 4.101 40 0 GIABRN O=C(Cc1ccncc1)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072349445 211097242 /nfs/dbraw/zinc/09/72/42/211097242.db2.gz ZLIVYKZURBTJOH-HXUWFJFHSA-N 0 0 389.474 4.155 40 0 GIABRN O=C(c1cnccn1)N1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072349224 211097269 /nfs/dbraw/zinc/09/72/69/211097269.db2.gz APGPUBXPFPDOOL-KRWDZBQOSA-N 0 0 392.890 4.136 40 0 GIABRN O=C(c1ccc(=O)[nH]c1)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072349907 211096972 /nfs/dbraw/zinc/09/69/72/211096972.db2.gz MSSLYMMIFMMRMU-KRWDZBQOSA-N 0 0 393.874 4.110 40 0 GIABRN Cn1ccnc1CN1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072350023 211097092 /nfs/dbraw/zinc/09/70/92/211097092.db2.gz BEEUTTMMFYDFTI-GOSISDBHSA-N 0 0 380.923 4.439 40 0 GIABRN Cn1nccc1C(=O)N1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072350047 211096846 /nfs/dbraw/zinc/09/68/46/211096846.db2.gz ZIUYHUNAHCRIOJ-KRWDZBQOSA-N 0 0 394.906 4.079 40 0 GIABRN O=C(c1ccncc1)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 ZINC000072349167 211096592 /nfs/dbraw/zinc/09/65/92/211096592.db2.gz ANEFIFQZMFHJIY-UHFFFAOYSA-N 0 0 375.447 4.226 40 0 GIABRN COc1cccc(Cc2cccc([C@H]3CCCN(C(=O)c4ccncc4)C3)n2)c1 ZINC000072349173 211096440 /nfs/dbraw/zinc/09/64/40/211096440.db2.gz JIDKILUIBZZNML-FQEVSTJZSA-N 0 0 387.483 4.096 40 0 GIABRN Cn1nccc1C(=O)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072350042 211096475 /nfs/dbraw/zinc/09/64/75/211096475.db2.gz XUBMIKJKESYGIS-MRXNPFEDSA-N 0 0 380.879 4.155 40 0 GIABRN O=C(c1cc[nH]n1)N1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072349819 211096549 /nfs/dbraw/zinc/09/65/49/211096549.db2.gz BNWQCJVCLKYYNA-MRXNPFEDSA-N 0 0 380.879 4.069 40 0 GIABRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000072229938 211082844 /nfs/dbraw/zinc/08/28/44/211082844.db2.gz FNDGUCVFLGWWPN-OAQYLSRUSA-N 0 0 395.842 4.445 40 0 GIABRN COc1ccc(OC)c(-c2cc(-c3ccc(Br)cc3)nc(N)n2)c1 ZINC000071977658 211067321 /nfs/dbraw/zinc/06/73/21/211067321.db2.gz TXFAPLZSWHKXQT-UHFFFAOYSA-N 0 0 386.249 4.173 40 0 GIABRN C[C@H]1[C@H](n2ccc3c(nnc4c(-c5ccc(F)cc5)cnn43)c2=O)CCC[C@@H]1C ZINC000040391443 210933554 /nfs/dbraw/zinc/93/35/54/210933554.db2.gz WDHZZZLINLGPEN-PMUMKWKESA-N 0 0 391.450 4.243 40 0 GIABRN CCCCNC(=O)c1ccccc1NC(=O)c1ccc(OCC)c(OCC)c1 ZINC000059289214 210924544 /nfs/dbraw/zinc/92/45/44/210924544.db2.gz PMBYZXDITZROPQ-UHFFFAOYSA-N 0 0 384.476 4.266 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)CCc2ccc(OC)c(OC)c2)cc1Cl ZINC000044847265 210814293 /nfs/dbraw/zinc/81/42/93/210814293.db2.gz ZYLCWUAHZFRXRE-UHFFFAOYSA-N 0 0 391.851 4.105 40 0 GIABRN CCN(CC(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000039986756 210765514 /nfs/dbraw/zinc/76/55/14/210765514.db2.gz IOGNLAVJJVWMCM-UHFFFAOYSA-N 0 0 396.512 4.106 40 0 GIABRN Cc1nccn1-c1ccc(CNC(=O)[C@H](C)Oc2cccc3ccccc32)cc1 ZINC000030871145 210559449 /nfs/dbraw/zinc/55/94/49/210559449.db2.gz MNJGPGARTOQKGU-KRWDZBQOSA-N 0 0 385.467 4.418 40 0 GIABRN CSc1ccc(S(=O)(=O)NCCSCc2cccc(Cl)c2)cc1 ZINC000408544078 532996503 /nfs/dbraw/zinc/99/65/03/532996503.db2.gz GYDXLLWRSQSZNG-UHFFFAOYSA-N 0 0 387.979 4.274 40 0 GIABRN Cc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1C ZINC000022540300 210416587 /nfs/dbraw/zinc/41/65/87/210416587.db2.gz IVNJZMLPQOGNAL-AWEZNQCLSA-N 0 0 382.323 4.414 40 0 GIABRN O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc(Br)cc1F ZINC000021122348 210378867 /nfs/dbraw/zinc/37/88/67/210378867.db2.gz WFQWQWYMBBVARJ-UHFFFAOYSA-N 0 0 390.212 4.210 40 0 GIABRN CCCOc1cccc([C@H]2C(C(=O)OC)C(C)=Nc3nc4ccccc4n32)c1 ZINC000020672391 210356348 /nfs/dbraw/zinc/35/63/48/210356348.db2.gz BPGVFJKKWFIKIE-FQEVSTJZSA-N 0 0 377.444 4.287 40 0 GIABRN COc1ccc(Nc2nn(-c3ccc(OC)cc3)c3c2C(=O)C[C@@H](C)C3)cc1 ZINC000020796927 210363682 /nfs/dbraw/zinc/36/36/82/210363682.db2.gz FSFDCFULAHJEHO-AWEZNQCLSA-N 0 0 377.444 4.398 40 0 GIABRN CCc1ccc2nc(Nc3nc(C)c(CCc4ccccc4)c(=O)[nH]3)nc(C)c2c1 ZINC000020798061 210363708 /nfs/dbraw/zinc/36/37/08/210363708.db2.gz YWJWKMMLUMSXEC-UHFFFAOYSA-N 0 0 399.498 4.421 40 0 GIABRN CCc1c(C)n(CC(=O)c2ccc(Cl)cc2)c2nc3ccccc3n2c1=O ZINC000020798313 210363465 /nfs/dbraw/zinc/36/34/65/210363465.db2.gz KDKPZZSJOHHOAN-UHFFFAOYSA-N 0 0 379.847 4.056 40 0 GIABRN COc1ccc([C@@H]2Cc3c(c(C)nn3-c3ccc(C)cc3)C(=O)C2)cc1OC ZINC000020633044 210353663 /nfs/dbraw/zinc/35/36/63/210353663.db2.gz NWVPWQRQZFKUDF-QGZVFWFLSA-N 0 0 376.456 4.419 40 0 GIABRN CCOc1ccc(C(=O)Nc2ccc(-c3nn4cnnc4s3)cc2)cc1Cl ZINC000020609803 210352557 /nfs/dbraw/zinc/35/25/57/210352557.db2.gz FIORGJCNEZGQOL-UHFFFAOYSA-N 0 0 399.863 4.157 40 0 GIABRN CCCc1nnc2sc(-c3cccc(NC(=O)c4cccc(F)c4)c3)nn12 ZINC000020609625 210351855 /nfs/dbraw/zinc/35/18/55/210351855.db2.gz ALXQBXPNWFGAEZ-UHFFFAOYSA-N 0 0 381.436 4.197 40 0 GIABRN Cc1nccn1-c1ccccc1CNC(=O)CSCc1cc(C)cc(C)c1 ZINC000020489221 210341809 /nfs/dbraw/zinc/34/18/09/210341809.db2.gz XCMULSUUJKEJAY-UHFFFAOYSA-N 0 0 379.529 4.347 40 0 GIABRN Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 ZINC000020494955 210341286 /nfs/dbraw/zinc/34/12/86/210341286.db2.gz RMZJMWPIHHXFNK-UHFFFAOYSA-N 0 0 386.517 4.354 40 0 GIABRN COc1ccccc1CN(C)C(=O)COc1cc(C)c(Br)c(C)c1 ZINC000020491699 210341161 /nfs/dbraw/zinc/34/11/61/210341161.db2.gz NJQJCRCDXXWKAA-UHFFFAOYSA-N 0 0 392.293 4.112 40 0 GIABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000020486105 210340460 /nfs/dbraw/zinc/34/04/60/210340460.db2.gz BFLIBIBCGFHCGA-QHCPKHFHSA-N 0 0 392.474 4.485 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1 ZINC000020484597 210340131 /nfs/dbraw/zinc/34/01/31/210340131.db2.gz OQNCRIYUCXWGDJ-AWEZNQCLSA-N 0 0 375.852 4.458 40 0 GIABRN CC[C@@H](NC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1)c1ccc(OC)cc1 ZINC000020488726 210339505 /nfs/dbraw/zinc/33/95/05/210339505.db2.gz MQKSOGCKCGNULJ-RDTXWAMCSA-N 0 0 389.517 4.461 40 0 GIABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000020460661 210338773 /nfs/dbraw/zinc/33/87/73/210338773.db2.gz XSHHRLKYMWHFSP-UHFFFAOYSA-N 0 0 393.679 4.271 40 0 GIABRN O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(Cl)cc1 ZINC000020457090 210337290 /nfs/dbraw/zinc/33/72/90/210337290.db2.gz MKFSLSAGAICHHO-UHFFFAOYSA-N 0 0 386.860 4.219 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2C)cc1Cl ZINC000020461831 210337350 /nfs/dbraw/zinc/33/73/50/210337350.db2.gz DDEOVQNHACERQM-UHFFFAOYSA-N 0 0 375.852 4.459 40 0 GIABRN CCOc1cccc(CNC(=O)CSCc2ccc(Br)cc2)c1 ZINC000020458420 210337357 /nfs/dbraw/zinc/33/73/57/210337357.db2.gz MLEPEYZPVLZBJS-UHFFFAOYSA-N 0 0 394.334 4.397 40 0 GIABRN COC(=O)c1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000020455599 210336899 /nfs/dbraw/zinc/33/68/99/210336899.db2.gz ZGVLXWSJXVUBDI-UHFFFAOYSA-N 0 0 383.425 4.066 40 0 GIABRN CCS(=O)(=O)N1c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2C[C@@H]1C ZINC000020449069 210336096 /nfs/dbraw/zinc/33/60/96/210336096.db2.gz AMWORIZZQHTLRD-ZDUSSCGKSA-N 0 0 392.908 4.001 40 0 GIABRN CCS(=O)(=O)N1c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2C[C@@H]1C ZINC000020449057 210336070 /nfs/dbraw/zinc/33/60/70/210336070.db2.gz XUUHHJZVBWUCAF-LBPRGKRZSA-N 0 0 392.908 4.001 40 0 GIABRN O=C(NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccccc1 ZINC000020151468 210320109 /nfs/dbraw/zinc/32/01/09/210320109.db2.gz IXHCMSWWDKYLAW-UHFFFAOYSA-N 0 0 386.860 4.219 40 0 GIABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc(C)c(C)c1 ZINC000020143829 210319521 /nfs/dbraw/zinc/31/95/21/210319521.db2.gz CPHPGDCORMKKNM-UHFFFAOYSA-N 0 0 381.428 4.082 40 0 GIABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2cccc(CN3CCOCC3)c2)cc1 ZINC000020104696 210316641 /nfs/dbraw/zinc/31/66/41/210316641.db2.gz GSDKWULOSOXHMG-HSZRJFAPSA-N 0 0 396.531 4.045 40 0 GIABRN CCSc1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000020107462 210316410 /nfs/dbraw/zinc/31/64/10/210316410.db2.gz YUMCBYZBKJQVGF-UHFFFAOYSA-N 0 0 384.910 4.076 40 0 GIABRN Cc1nccn1-c1ccc(CNC(=O)CSCc2cccc(Cl)c2)cc1 ZINC000020039456 210313150 /nfs/dbraw/zinc/31/31/50/210313150.db2.gz GEZPASROCQGMES-UHFFFAOYSA-N 0 0 385.920 4.384 40 0 GIABRN CC[C@@H](Oc1ccccc1C)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000020038918 210312959 /nfs/dbraw/zinc/31/29/59/210312959.db2.gz BASQBJYDCCTWLR-HXUWFJFHSA-N 0 0 386.923 4.463 40 0 GIABRN CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1C(C)C ZINC000020034437 210312618 /nfs/dbraw/zinc/31/26/18/210312618.db2.gz XWCNMZBQBPBAJQ-UHFFFAOYSA-N 0 0 397.342 4.223 40 0 GIABRN COC(=O)c1cc2cc(NC(=O)COc3ccc(Cl)cc3)ccc2s1 ZINC000019935012 210309300 /nfs/dbraw/zinc/30/93/00/210309300.db2.gz VIEZEGYHTKEKOQ-UHFFFAOYSA-N 0 0 375.833 4.359 40 0 GIABRN CCOc1ccccc1-c1nnc(NC(=O)c2ccc(Br)cc2)o1 ZINC000019927165 210308469 /nfs/dbraw/zinc/30/84/69/210308469.db2.gz KWIXNBYLXWPINX-UHFFFAOYSA-N 0 0 388.221 4.150 40 0 GIABRN COc1cccc2cc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)oc21 ZINC000019887869 210304977 /nfs/dbraw/zinc/30/49/77/210304977.db2.gz XTRXERQBEIARHK-UHFFFAOYSA-N 0 0 390.395 4.217 40 0 GIABRN COc1ccc([C@H](NC(=O)c2cc(-n3cccn3)ccc2Cl)C2CC2)cc1 ZINC000019715129 210285668 /nfs/dbraw/zinc/28/56/68/210285668.db2.gz UBVJXRDMWJTFAU-HXUWFJFHSA-N 0 0 381.863 4.415 40 0 GIABRN Cc1onc(-c2ccc(Cl)cc2)c1C(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000019718256 210288576 /nfs/dbraw/zinc/28/85/76/210288576.db2.gz BLMAPZNPVCPBEZ-UHFFFAOYSA-N 0 0 399.863 4.413 40 0 GIABRN COc1cccc(CC[C@H]2CCCCN2C(=O)c2cc(C)nc3onc(C)c32)c1 ZINC000019715891 210287638 /nfs/dbraw/zinc/28/76/38/210287638.db2.gz OJKMDEXLCABKMK-GOSISDBHSA-N 0 0 393.487 4.476 40 0 GIABRN Cc1nn(C)cc1C(=O)N1CCC[C@H]1c1cc(Cc2ccccc2C)cc(C)n1 ZINC000019690867 210282457 /nfs/dbraw/zinc/28/24/57/210282457.db2.gz SFEUXVPJQIGLTC-QHCPKHFHSA-N 0 0 388.515 4.308 40 0 GIABRN Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)N(Cc1ccccn1)C[C@H]1CCCO1 ZINC000019664254 210279960 /nfs/dbraw/zinc/27/99/60/210279960.db2.gz DXTSXXVERBFHHT-HXUWFJFHSA-N 0 0 391.515 4.238 40 0 GIABRN O=C(c1cc(C2CC2)nc2ccccc21)N(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000019663502 210280046 /nfs/dbraw/zinc/28/00/46/210280046.db2.gz SHJQOMWJRKASRR-IBGZPJMESA-N 0 0 387.483 4.329 40 0 GIABRN Cc1nc2cc(NC(=O)Cc3nnc(C(C)C)[nH]3)ccc2n1C1CCCCC1 ZINC000019666290 210280178 /nfs/dbraw/zinc/28/01/78/210280178.db2.gz MVRNOBACSCNMLW-UHFFFAOYSA-N 0 0 380.496 4.273 40 0 GIABRN Cc1nc2ccc(NC(=O)c3cc(-n4cccn4)ccc3Cl)cc2nc1C ZINC000019665003 210279842 /nfs/dbraw/zinc/27/98/42/210279842.db2.gz JUNCCHQBLUUISO-UHFFFAOYSA-N 0 0 377.835 4.338 40 0 GIABRN O=C(NCCc1ccc(C(F)(F)F)cc1)C1(c2ccccc2F)CCOCC1 ZINC000019662232 210279716 /nfs/dbraw/zinc/27/97/16/210279716.db2.gz BZPKBFFFABOQHR-UHFFFAOYSA-N 0 0 395.396 4.252 40 0 GIABRN O=C(Nc1nnc(CCc2ccccc2)s1)c1ccc2c(c1)ncn2C1CC1 ZINC000019663035 210279035 /nfs/dbraw/zinc/27/90/35/210279035.db2.gz FXEYQLXETKIMBL-UHFFFAOYSA-N 0 0 389.484 4.260 40 0 GIABRN Cc1cc(C)n(-c2ccc(C(=O)Nc3ncc(-c4ccc(F)cc4)n3C)cc2)n1 ZINC000019660081 210277137 /nfs/dbraw/zinc/27/71/37/210277137.db2.gz FPVXCNPKSNYCEG-UHFFFAOYSA-N 0 0 389.434 4.281 40 0 GIABRN CCn1ccc(-c2cc(NCC3(c4cccc(C)c4)CCOCC3)nc(C)n2)n1 ZINC000019655809 210276728 /nfs/dbraw/zinc/27/67/28/210276728.db2.gz YXRYLTGWACGPEX-UHFFFAOYSA-N 0 0 391.519 4.137 40 0 GIABRN CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)C2CC2)C1 ZINC000019578717 210270419 /nfs/dbraw/zinc/27/04/19/210270419.db2.gz SRITWDNIHRKAME-RUZDIDTESA-N 0 0 390.527 4.003 40 0 GIABRN CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)C2CCC2)C1 ZINC000019579734 210269366 /nfs/dbraw/zinc/26/93/66/210269366.db2.gz JANDUMFUSAGJCT-HSZRJFAPSA-N 0 0 396.556 4.065 40 0 GIABRN COc1ccc(Cc2cnc(NC(=O)C[C@H](C)n3nc(C)cc3C)s2)cc1 ZINC000019573164 210268838 /nfs/dbraw/zinc/26/88/38/210268838.db2.gz BBHSPJKTIFJJKC-HNNXBMFYSA-N 0 0 384.505 4.146 40 0 GIABRN COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)CCC1CCCC1 ZINC000019570930 210268937 /nfs/dbraw/zinc/26/89/37/210268937.db2.gz TYTXTYGBPPHBJY-HXUWFJFHSA-N 0 0 381.520 4.404 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1csc(C)c1 ZINC000019571949 210268340 /nfs/dbraw/zinc/26/83/40/210268340.db2.gz UBAUPEPXYNKYCR-BDTNDASRSA-N 0 0 396.556 4.456 40 0 GIABRN COc1ccc(-c2nc(SCC(=O)Nc3ccc(Cl)c(C)c3)n[nH]2)cc1 ZINC000408542220 533187205 /nfs/dbraw/zinc/18/72/05/533187205.db2.gz HVEHIWZSLTYLOH-UHFFFAOYSA-N 0 0 388.880 4.173 40 0 GIABRN Cc1ccccc1Cn1c2ccccc2c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000010156742 221097910 /nfs/dbraw/zinc/09/79/10/221097910.db2.gz OHNPUQDJDQHLIT-UHFFFAOYSA-N 0 0 376.843 4.163 40 0 GIABRN Cc1cnccc1C(=O)N1CCC[C@H](c2nc3ccccn3c2NC(C)(C)C)C1 ZINC000012128168 221156381 /nfs/dbraw/zinc/15/63/81/221156381.db2.gz BPSFEOLPPPDTRV-KRWDZBQOSA-N 0 0 391.519 4.268 40 0 GIABRN COC(=O)C1C(c2ccc(Cl)cc2)=NC(=S)N[C@H]1c1ccc(Cl)cc1 ZINC000105093606 533270439 /nfs/dbraw/zinc/27/04/39/533270439.db2.gz LODZCJJDQZZJFP-HNNXBMFYSA-N 0 0 393.295 4.097 40 0 GIABRN COc1ccc(C(=O)Sc2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000408691573 533353887 /nfs/dbraw/zinc/35/38/87/533353887.db2.gz FOOCQTJYLKJMPY-UHFFFAOYSA-N 0 0 391.246 4.440 40 0 GIABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(C)cc1O ZINC000408619193 533422228 /nfs/dbraw/zinc/42/22/28/533422228.db2.gz GSLWZHKKNVGKHL-UHFFFAOYSA-N 0 0 385.272 4.143 40 0 GIABRN COc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OC(C)=O ZINC000006478661 533474302 /nfs/dbraw/zinc/47/43/02/533474302.db2.gz HLVBHKNATQBWSP-ODLFYWEKSA-N 0 0 397.452 4.165 40 0 GIABRN CC[C@@H]1Oc2ccc([C@H](O)c3ccco3)cc2N(Cc2cccc(OC)c2)C1=O ZINC000072343092 136168672 /nfs/dbraw/zinc/16/86/72/136168672.db2.gz SXSFKXBRNPBPNR-UGKGYDQZSA-N 0 0 393.439 4.074 40 0 GIABRN Cc1cc(C)cc(-c2nnc(SCC(=O)N3CCCc4ccccc43)o2)c1 ZINC000000929471 136193036 /nfs/dbraw/zinc/19/30/36/136193036.db2.gz SVVCCBBUWWVOLZ-UHFFFAOYSA-N 0 0 379.485 4.425 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)c(C)c1 ZINC000219862154 136204393 /nfs/dbraw/zinc/20/43/93/136204393.db2.gz ATBVMKUYVTWXAN-UHFFFAOYSA-N 0 0 380.488 4.335 40 0 GIABRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc(F)c3)C2=O)c1 ZINC000409317562 533680210 /nfs/dbraw/zinc/68/02/10/533680210.db2.gz VKGHSENQEMYWAV-LICLKQGHSA-N 0 0 384.432 4.118 40 0 GIABRN CN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc(Cl)cc1Cl ZINC000028188570 221668353 /nfs/dbraw/zinc/66/83/53/221668353.db2.gz OMDRHYNQRBTEPX-UHFFFAOYSA-N 0 0 398.271 4.142 40 0 GIABRN Cc1cc(Cl)ccc1NC(=O)[C@@H]1CSCN1C(=O)OCc1ccccc1 ZINC000408738647 533783982 /nfs/dbraw/zinc/78/39/82/533783982.db2.gz UAMSKTLDXKKKDB-KRWDZBQOSA-N 0 0 390.892 4.299 40 0 GIABRN COc1ccccc1/C=C1\SC(Nc2cc(Cl)ccc2OC)NC1=O ZINC000408817644 533952765 /nfs/dbraw/zinc/95/27/65/533952765.db2.gz WCKNCWBRTHOPGI-UHFFFAOYSA-N 0 0 375.857 4.120 40 0 GIABRN Cc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000113936223 534049042 /nfs/dbraw/zinc/04/90/42/534049042.db2.gz JPGUEYIMAMRZBX-UHFFFAOYSA-N 0 0 394.496 4.034 40 0 GIABRN COc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000408619186 534180123 /nfs/dbraw/zinc/18/01/23/534180123.db2.gz GNGIZTVXRQNSEU-UHFFFAOYSA-N 0 0 392.480 4.401 40 0 GIABRN COc1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)Oc1ccccc1 ZINC000408736310 534182341 /nfs/dbraw/zinc/18/23/41/534182341.db2.gz ALBXLQZNFYDLTA-FQEVSTJZSA-N 0 0 390.439 4.034 40 0 GIABRN Cc1ccc(-c2nnc(CN(C)C(=O)COc3cc(C)c(Cl)c(C)c3)o2)cc1 ZINC000408714791 534222788 /nfs/dbraw/zinc/22/27/88/534222788.db2.gz WTZQPEPIISVIOB-UHFFFAOYSA-N 0 0 399.878 4.353 40 0 GIABRN CCN(Cc1ccccc1)[C@H](c1nnnn1C1CCCCC1)c1ccccn1 ZINC000019526641 517652553 /nfs/dbraw/zinc/65/25/53/517652553.db2.gz GTVQYKPXRIFCLS-NRFANRHFSA-N 0 0 376.508 4.185 40 0 GIABRN Fc1cccc(C(F)(F)F)c1Nc1cc(-c2ccccc2)nc(NC2CC2)n1 ZINC000329063413 534513040 /nfs/dbraw/zinc/51/30/40/534513040.db2.gz XEDDJXJZUJZAMY-UHFFFAOYSA-N 0 0 388.368 4.463 40 0 GIABRN Cn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccco1 ZINC000004924690 534707794 /nfs/dbraw/zinc/70/77/94/534707794.db2.gz LVEGSSRZTVUEQU-UHFFFAOYSA-N 0 0 383.260 4.113 40 0 GIABRN Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(Cl)cc1Cl ZINC000014069906 534707905 /nfs/dbraw/zinc/70/79/05/534707905.db2.gz XDIJIDFCEGRVKU-UHFFFAOYSA-N 0 0 399.347 4.330 40 0 GIABRN Cc1ccccc1OCC(=O)NC(=S)Nc1nc2c(cccc2Cl)s1 ZINC000408627986 534825796 /nfs/dbraw/zinc/82/57/96/534825796.db2.gz PBJOJQWVXXXKKE-UHFFFAOYSA-N 0 0 391.905 4.150 40 0 GIABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)O)[C@@]4(C)CC(=O)[C@@H]32)C1 ZINC000123200773 527116820 /nfs/dbraw/zinc/11/68/20/527116820.db2.gz KWOUHQLFAVONNL-IAOPWSLNSA-N 0 0 376.537 4.137 40 0 GIABRN CC(C)C1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccc(-c3ccccc3)cc2)N1 ZINC000409061696 527626377 /nfs/dbraw/zinc/62/63/77/527626377.db2.gz ZZDHHPXVBSONPX-LJQANCHMSA-N 0 0 376.378 4.462 40 0 GIABRN CC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 ZINC000408707619 527632661 /nfs/dbraw/zinc/63/26/61/527632661.db2.gz KZHUBNUKGUPLKR-UQPPLGOBSA-N 0 0 376.928 4.414 40 0 GIABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1 ZINC000408595271 528046764 /nfs/dbraw/zinc/04/67/64/528046764.db2.gz UQDYYOJPZNQCLL-UHFFFAOYSA-N 0 0 393.534 4.083 40 0 GIABRN CCC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000409411293 528064544 /nfs/dbraw/zinc/06/45/44/528064544.db2.gz WAWMQEYELUQLAQ-INIZCTEOSA-N 0 0 388.533 4.331 40 0 GIABRN CC(C)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000059488513 528109488 /nfs/dbraw/zinc/10/94/88/528109488.db2.gz AAYHLDKMCCYFOQ-KRWDZBQOSA-N 0 0 399.874 4.242 40 0 GIABRN CC(C)c1ccc(NC(=O)C(=O)NCCOc2cccc3ccccc32)cc1 ZINC000059417429 528109606 /nfs/dbraw/zinc/10/96/06/528109606.db2.gz QSVVJHYMAVBMNS-UHFFFAOYSA-N 0 0 376.456 4.097 40 0 GIABRN CCCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)CSCc2ccccc2)N1 ZINC000409358419 528113524 /nfs/dbraw/zinc/11/35/24/528113524.db2.gz SXHILIASSJLZQP-KRWDZBQOSA-N 0 0 388.455 4.339 40 0 GIABRN CCOC(=O)c1c(NC(=O)CN(CC)c2ccccc2)sc2c1CCCC2 ZINC000408548418 528132258 /nfs/dbraw/zinc/13/22/58/528132258.db2.gz RGLMIRMOIBUREL-UHFFFAOYSA-N 0 0 386.517 4.269 40 0 GIABRN CCCN1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)c2ccccc21 ZINC000409115310 528163040 /nfs/dbraw/zinc/16/30/40/528163040.db2.gz IOGZGXIROVJBMC-ZROIWOOFSA-N 0 0 388.261 4.461 40 0 GIABRN CCOc1c(Cl)cc(/C=c2\sc3nc4ccccc4n3c2=O)cc1Cl ZINC000104006282 528169729 /nfs/dbraw/zinc/16/97/29/528169729.db2.gz GTDQWORSVBYFSD-DHDCSXOGSA-N 0 0 391.279 4.162 40 0 GIABRN CC(C)Oc1cccc(CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000010543854 528226381 /nfs/dbraw/zinc/22/63/81/528226381.db2.gz POGVZLBMRIBUOW-UHFFFAOYSA-N 0 0 388.316 4.400 40 0 GIABRN CCOc1cc(C=O)ccc1OCC(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000408600047 528256696 /nfs/dbraw/zinc/25/66/96/528256696.db2.gz SCNOWVYVXXBGQR-UHFFFAOYSA-N 0 0 396.468 4.347 40 0 GIABRN CCOc1ccc(-n2nc3ccc(NC(=O)c4cccnc4Cl)cc3n2)cc1 ZINC000408621068 528360820 /nfs/dbraw/zinc/36/08/20/528360820.db2.gz JNAJEQYVANVGQY-UHFFFAOYSA-N 0 0 393.834 4.120 40 0 GIABRN CCCCOC(=O)c1cc(NC(=O)COc2ccc(C=O)cc2)ccc1Cl ZINC000408599512 528564889 /nfs/dbraw/zinc/56/48/89/528564889.db2.gz IFCCUJINTDFTLV-UHFFFAOYSA-N 0 0 389.835 4.127 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(CC)cc2)cc1 ZINC000408628242 528566368 /nfs/dbraw/zinc/56/63/68/528566368.db2.gz RIBJEJSXUCWBJX-UHFFFAOYSA-N 0 0 384.501 4.333 40 0 GIABRN CCCCOc1ccc(C(=O)Nc2ccc(I)cn2)cc1 ZINC000105867180 528667963 /nfs/dbraw/zinc/66/79/63/528667963.db2.gz VRYQSFOOYXCKMK-UHFFFAOYSA-N 0 0 396.228 4.117 40 0 GIABRN CCCOc1ccc(CNC(=O)c2ccc(Br)cc2)cc1OC ZINC000006204670 528684272 /nfs/dbraw/zinc/68/42/72/528684272.db2.gz UWQMAXXJYWKJKR-UHFFFAOYSA-N 0 0 378.266 4.177 40 0 GIABRN CCCCc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 ZINC000222582617 535093979 /nfs/dbraw/zinc/09/39/79/535093979.db2.gz DGLSWSLWNGYNBC-UHFFFAOYSA-N 0 0 386.517 4.212 40 0 GIABRN Cc1ccc2[nH]c(C[C@H]3C[N@H+](CC4CCCCC4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514289434 560032419 /nfs/dbraw/zinc/03/24/19/560032419.db2.gz UELBQRDBLAFPTB-OALUTQOASA-N 0 0 383.536 4.407 40 0 biogenic,in-vitro GIABRN COc1cccc2[nH]c(C[C@H]3C[N@H+](CC4CCCCC4)CC[C@H]3CC(=O)[O-])nc21 ZINC000514288629 560034297 /nfs/dbraw/zinc/03/42/97/560034297.db2.gz JJAHUVDLAFVYOO-ROUUACIJSA-N 0 0 399.535 4.107 40 0 biogenic,in-vitro GIABRN CC1=C[C@@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2n1C ZINC000072320878 560077764 /nfs/dbraw/zinc/07/77/64/560077764.db2.gz QSRROSQHAWINLO-UFYCRDLUSA-N 0 0 379.548 4.497 40 0 biogenic,in-vitro GIABRN CCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(C(F)(F)F)n1 ZINC000328999433 570211148 /nfs/dbraw/zinc/21/11/48/570211148.db2.gz JXEKGSVHABRPQP-UHFFFAOYSA-N 0 0 382.333 4.127 40 0 GIABRN CCNc1nc(Nc2ccc(Br)cc2C)cc(-c2ccccn2)n1 ZINC000329022115 570213509 /nfs/dbraw/zinc/21/35/09/570213509.db2.gz OKLVVPZRSWJRKB-UHFFFAOYSA-N 0 0 384.281 4.207 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2ccc3sc(C)nc3c2)cc(-c2ccccn2)n1 ZINC000329068956 570216404 /nfs/dbraw/zinc/21/64/04/570216404.db2.gz YSUYZIDACXKETM-CYBMUJFWSA-N 0 0 390.516 4.255 40 0 GIABRN COc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C ZINC000205621684 570226574 /nfs/dbraw/zinc/22/65/74/570226574.db2.gz GPQIVQPQIKTRGO-RGEXLXHISA-N 0 0 376.412 4.006 40 0 GIABRN Cc1ccc2ncc(-c3cccc([C@H]4CCCN(C(=O)C(C)(C)C)C4)n3)n2c1 ZINC000585262758 570230860 /nfs/dbraw/zinc/23/08/60/570230860.db2.gz CMWHAQJWTVPDBS-KRWDZBQOSA-N 0 0 376.504 4.457 40 0 GIABRN O=C(c1cccc(F)c1)N1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000005158529 570245064 /nfs/dbraw/zinc/24/50/64/570245064.db2.gz VNFACUMJHRYIQV-JZWVFAODSA-N 0 0 397.446 4.063 40 0 GIABRN COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1ccc(F)cc1 ZINC000005164559 570248433 /nfs/dbraw/zinc/24/84/33/570248433.db2.gz PQNBYCABHFNLBR-RRPUWOKSSA-N 0 0 383.463 4.343 40 0 GIABRN O=C1C(=Cc2ccc(Cl)cc2Cl)S[C@H]2NC(c3ccccc3)=NN12 ZINC000005682143 570272774 /nfs/dbraw/zinc/27/27/74/570272774.db2.gz AMMYNATZMJNXEO-QHIITQONSA-N 0 0 376.268 4.158 40 0 GIABRN O=c1c2ccccc2n2c(-c3c[nH]c4ccccc34)nnc2n1Cc1ccccc1 ZINC000006781147 570283574 /nfs/dbraw/zinc/28/35/74/570283574.db2.gz WZFHNIZUAAXHRG-UHFFFAOYSA-N 0 0 391.434 4.241 40 0 GIABRN Cc1cccc(-c2nnc3n2c2ccccc2c(=O)n3CCc2ccccc2)c1 ZINC000006781253 570284072 /nfs/dbraw/zinc/28/40/72/570284072.db2.gz ASVMAWGWTDOYHE-UHFFFAOYSA-N 0 0 380.451 4.262 40 0 GIABRN Cc1ccc([C@H](C)NC(=O)c2ccccc2I)c(C)c1 ZINC000042354217 570297116 /nfs/dbraw/zinc/29/71/16/570297116.db2.gz KAZSMTIJFBPCQQ-ZDUSSCGKSA-N 0 0 379.241 4.399 40 0 GIABRN CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C)cc1 ZINC000006913912 570297898 /nfs/dbraw/zinc/29/78/98/570297898.db2.gz CUGTUXDMVIQXCP-UHFFFAOYSA-N 0 0 384.480 4.475 40 0 GIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)NCCCc1ccc(OC(C)C)cc1 ZINC000216327857 570299043 /nfs/dbraw/zinc/29/90/43/570299043.db2.gz RVXXKWJGTWSASR-QFIPXVFZSA-N 0 0 385.504 4.389 40 0 GIABRN O=C(Nc1ccccc1Cl)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000003483298 570300481 /nfs/dbraw/zinc/30/04/81/570300481.db2.gz RPZMZWLFXDTWPU-UHFFFAOYSA-N 0 0 399.299 4.030 40 0 GIABRN CC(C)Oc1ccccc1CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000042645899 570303147 /nfs/dbraw/zinc/30/31/47/570303147.db2.gz HYLAULXEYRCUAQ-UHFFFAOYSA-N 0 0 381.259 4.036 40 0 GIABRN O=C(NCCCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000042646437 570303508 /nfs/dbraw/zinc/30/35/08/570303508.db2.gz LJXNDTRYPBZZCX-UHFFFAOYSA-N 0 0 384.785 4.046 40 0 GIABRN CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)c(C)c2)o1 ZINC000021545367 570305144 /nfs/dbraw/zinc/30/51/44/570305144.db2.gz WNLMYJPHXWVBJR-UHFFFAOYSA-N 0 0 383.473 4.483 40 0 GIABRN COc1cccc(-c2nc3cc(NC(=S)NC(=O)CC(C)C)ccc3o2)c1 ZINC000021579629 570306305 /nfs/dbraw/zinc/30/63/05/570306305.db2.gz ZNRCMNCOEJLPON-UHFFFAOYSA-N 0 0 383.473 4.363 40 0 GIABRN COc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2Cl)c(OC)c1 ZINC000021595517 570307022 /nfs/dbraw/zinc/30/70/22/570307022.db2.gz HSZALDVOPXUXHA-UHFFFAOYSA-N 0 0 385.272 4.137 40 0 GIABRN CCN(CC)c1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000072212875 570313698 /nfs/dbraw/zinc/31/36/98/570313698.db2.gz ATNODAIIDUQHDD-HXUWFJFHSA-N 0 0 387.549 4.152 40 0 GIABRN CCSc1ncccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072217219 570317881 /nfs/dbraw/zinc/31/78/81/570317881.db2.gz PPDAVNCNVGJIJM-SFHVURJKSA-N 0 0 376.547 4.418 40 0 GIABRN CCC[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000022509463 570318670 /nfs/dbraw/zinc/31/86/70/570318670.db2.gz LJPCJSWTZJEWNO-CYBMUJFWSA-N 0 0 380.897 4.059 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1F ZINC000022509364 570318684 /nfs/dbraw/zinc/31/86/84/570318684.db2.gz SVWAUBVVNMTCCU-OAQYLSRUSA-N 0 0 385.460 4.211 40 0 GIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1-n1ccnc1C ZINC000022525293 570320249 /nfs/dbraw/zinc/32/02/49/570320249.db2.gz XFQFZICIDPTJCG-LJQANCHMSA-N 0 0 383.879 4.308 40 0 GIABRN CCOC(=O)c1cc(-c2csc(N)n2)ccc1OCc1cccc(OC)c1 ZINC000085397574 570320441 /nfs/dbraw/zinc/32/04/41/570320441.db2.gz LVTATCIDMIAMNH-UHFFFAOYSA-N 0 0 384.457 4.157 40 0 GIABRN CCOC(=O)c1cc(-c2csc(N)n2)ccc1OCc1ccccc1OC ZINC000085397573 570320649 /nfs/dbraw/zinc/32/06/49/570320649.db2.gz OLBRNIMYOHZTTH-UHFFFAOYSA-N 0 0 384.457 4.157 40 0 GIABRN CCOc1ccc2c(c1)c(=O)c(C(=O)N[C@H](C)c1cc(C)c(C)cc1C)cn2C ZINC000022606087 570322515 /nfs/dbraw/zinc/32/25/15/570322515.db2.gz QBRDDGDTCHQQEG-QGZVFWFLSA-N 0 0 392.499 4.353 40 0 GIABRN Cn1nnnc1NCc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000022112034 570326062 /nfs/dbraw/zinc/32/60/62/570326062.db2.gz VNUJJVTWAGLWBH-UHFFFAOYSA-N 0 0 379.851 4.208 40 0 GIABRN CN1CCN(C(=S)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000408573146 570335963 /nfs/dbraw/zinc/33/59/63/570335963.db2.gz INGYPUMXDDVBBU-UHFFFAOYSA-N 0 0 395.355 4.495 40 0 GIABRN COc1cc(C(=S)NC[C@H]2CCCO2)cc(Cl)c1OCc1ccccc1 ZINC000408572356 570336150 /nfs/dbraw/zinc/33/61/50/570336150.db2.gz GKDINUMXSYLHSI-MRXNPFEDSA-N 0 0 391.920 4.372 40 0 GIABRN Cc1ccc(C)c(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c1 ZINC000113962434 570337160 /nfs/dbraw/zinc/33/71/60/570337160.db2.gz AOSKPKOWLXPRAQ-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN O=C(c1cccc(-c2ccc(C[C@@H]3CCCNC3=O)cc2)c1)N1CCCCC1 ZINC000072356254 570339565 /nfs/dbraw/zinc/33/95/65/570339565.db2.gz YCSVDCSTRAGVCB-NRFANRHFSA-N 0 0 376.500 4.048 40 0 GIABRN COC(=O)c1c(NC(=O)CSCc2ccc(C)cc2)sc2c1CCC2 ZINC000408576338 570342694 /nfs/dbraw/zinc/34/26/94/570342694.db2.gz SOXNWLJGZUPFIY-UHFFFAOYSA-N 0 0 375.515 4.204 40 0 GIABRN CCOc1ccc(CNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OCC ZINC000218921439 570343984 /nfs/dbraw/zinc/34/39/84/570343984.db2.gz OTQLFQOGZOJKAQ-UHFFFAOYSA-N 0 0 391.895 4.449 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(Cl)c(C)c1 ZINC000218941266 570344307 /nfs/dbraw/zinc/34/43/07/570344307.db2.gz SFGUQLDGYYPYGQ-GOSISDBHSA-N 0 0 389.879 4.454 40 0 GIABRN COc1cccc(-c2noc(CN(C)C(=O)CCSCc3ccccc3)n2)c1 ZINC000219000566 570345498 /nfs/dbraw/zinc/34/54/98/570345498.db2.gz ILRJKUPXPYCYEO-UHFFFAOYSA-N 0 0 397.500 4.027 40 0 GIABRN CCc1nnc(NC(=O)c2sc3nc4c(C)ccc(C)c4cc3c2N)s1 ZINC000004848764 570346801 /nfs/dbraw/zinc/34/68/01/570346801.db2.gz TXRQFUURTJILPS-UHFFFAOYSA-N 0 0 383.502 4.315 40 0 GIABRN COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C)CC(C)(C)O2 ZINC000219072842 570347096 /nfs/dbraw/zinc/34/70/96/570347096.db2.gz LEKPDOARWQTMSK-LPHOPBHVSA-N 0 0 383.488 4.498 40 0 GIABRN Cc1ccc(C)c(O[C@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)c1 ZINC000219075967 570347654 /nfs/dbraw/zinc/34/76/54/570347654.db2.gz GMIYKYDNMLFLKH-CQSZACIVSA-N 0 0 385.851 4.091 40 0 GIABRN Cc1cc(Cl)cc2c1NC(=O)[C@@]2(O)[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000003589583 570348481 /nfs/dbraw/zinc/34/84/81/570348481.db2.gz JMXWDYGKEGMKQH-CVDCTZTESA-N 0 0 391.854 4.455 40 0 GIABRN Cc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1C ZINC000003569727 570348557 /nfs/dbraw/zinc/34/85/57/570348557.db2.gz KKAAJBPQVCSEIV-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN CC[C@H](NC(=O)[C@H](CC)Oc1ccc(F)cc1)c1ccc(OC)c(OC)c1 ZINC000219328419 570355056 /nfs/dbraw/zinc/35/50/56/570355056.db2.gz NJCHRSRSGJWUCV-ROUUACIJSA-N 0 0 375.440 4.268 40 0 GIABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000219330230 570355466 /nfs/dbraw/zinc/35/54/66/570355466.db2.gz IKJLKCAETDZORI-HXUWFJFHSA-N 0 0 385.504 4.227 40 0 GIABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1nc(-c2ccccc2)no1 ZINC000219341541 570355718 /nfs/dbraw/zinc/35/57/18/570355718.db2.gz XASRQRYQPRQAAM-IBGZPJMESA-N 0 0 387.439 4.364 40 0 GIABRN COc1cc2ccccc2cc1C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000219396891 570358760 /nfs/dbraw/zinc/35/87/60/570358760.db2.gz ONCAZCLKYXDURZ-UHFFFAOYSA-N 0 0 379.441 4.232 40 0 GIABRN COc1ccc(Cl)cc1C(=O)Nc1ccccc1-c1nn2c(C)nnc2s1 ZINC000057316047 570360758 /nfs/dbraw/zinc/36/07/58/570360758.db2.gz HIEYZYMLOFRONL-UHFFFAOYSA-N 0 0 399.863 4.076 40 0 GIABRN Cc1ccc(OCCNC(=O)CCCN2c3cccc4cccc(c34)C2=O)cc1 ZINC000219467097 570363912 /nfs/dbraw/zinc/36/39/12/570363912.db2.gz UHHDRWXETXNRBO-UHFFFAOYSA-N 0 0 388.467 4.084 40 0 GIABRN CSc1nc2sc(C(=O)N(C)Cc3ccccc3)cc2c(N2CCCC2)n1 ZINC000408618251 570365068 /nfs/dbraw/zinc/36/50/68/570365068.db2.gz FHBKZSXODDTKCD-UHFFFAOYSA-N 0 0 398.557 4.286 40 0 GIABRN CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219566003 570369128 /nfs/dbraw/zinc/36/91/28/570369128.db2.gz SOBTWZPPKDJCLB-QZTJIDSGSA-N 0 0 399.487 4.280 40 0 GIABRN CC[C@H](NC(=O)[C@H](CC)Oc1ccccc1F)c1ccc(OC)c(OC)c1 ZINC000219583122 570369830 /nfs/dbraw/zinc/36/98/30/570369830.db2.gz SCRLVLFDXFLQGG-IRXDYDNUSA-N 0 0 375.440 4.268 40 0 GIABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000219599138 570370160 /nfs/dbraw/zinc/37/01/60/570370160.db2.gz LRWSTAHGXSWPEP-QGZVFWFLSA-N 0 0 385.851 4.172 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000219617209 570371313 /nfs/dbraw/zinc/37/13/13/570371313.db2.gz QPCQEVVGZNRTSV-CQSZACIVSA-N 0 0 391.880 4.268 40 0 GIABRN CCCC(=O)NC(=S)Nc1cc(-c2cc3ccccc3oc2=O)ccc1C ZINC000408621708 570371422 /nfs/dbraw/zinc/37/14/22/570371422.db2.gz NKDWEHKQIAIHEY-UHFFFAOYSA-N 0 0 380.469 4.382 40 0 GIABRN COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 ZINC000408621560 570371546 /nfs/dbraw/zinc/37/15/46/570371546.db2.gz LNVPTPIWMMOWET-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(Br)cc1F ZINC000408626858 570379014 /nfs/dbraw/zinc/37/90/14/570379014.db2.gz IXPCCMJUVJYEPY-RMKNXTFCSA-N 0 0 379.254 4.115 40 0 GIABRN CCCCOC(=O)CN1C(=O)S/C(=C/c2cccc(C(F)(F)F)c2)C1=O ZINC000006650416 570379415 /nfs/dbraw/zinc/37/94/15/570379415.db2.gz YHLXTYSKARQVSJ-UKTHLTGXSA-N 0 0 387.379 4.085 40 0 GIABRN CCCCOC(=O)c1cc(NC(=O)COC(=O)c2ccccc2)ccc1Cl ZINC000006650525 570379809 /nfs/dbraw/zinc/37/98/09/570379809.db2.gz SATIIJZLIJMWLP-UHFFFAOYSA-N 0 0 389.835 4.092 40 0 GIABRN O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(-c2ccccc2)cc1 ZINC000408627575 570379949 /nfs/dbraw/zinc/37/99/49/570379949.db2.gz LVOQCXQECSPOEW-UHFFFAOYSA-N 0 0 390.464 4.252 40 0 GIABRN O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1cccc(F)c1 ZINC000408627762 570380173 /nfs/dbraw/zinc/38/01/73/570380173.db2.gz NMIOFOBKUHUHQA-UHFFFAOYSA-N 0 0 387.661 4.368 40 0 GIABRN Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccccc1C ZINC000408627755 570380204 /nfs/dbraw/zinc/38/02/04/570380204.db2.gz PJBANFMJHIKDGG-UHFFFAOYSA-N 0 0 392.480 4.118 40 0 GIABRN CCCOc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)c1 ZINC000408629201 570381632 /nfs/dbraw/zinc/38/16/32/570381632.db2.gz POEGWYSNNQDBPQ-UHFFFAOYSA-N 0 0 387.911 4.133 40 0 GIABRN CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220494584 570387143 /nfs/dbraw/zinc/38/71/43/570387143.db2.gz RHUOXZOPYVXBIL-HXUWFJFHSA-N 0 0 388.533 4.302 40 0 GIABRN CC[C@@H](C(=O)Nc1ccccc1C(C)C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220508210 570387330 /nfs/dbraw/zinc/38/73/30/570387330.db2.gz ZBKZDJCOKWKKIE-FQEVSTJZSA-N 0 0 388.533 4.302 40 0 GIABRN CC[C@H](C(=O)Nc1ccc(C)c(C)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220558524 570388402 /nfs/dbraw/zinc/38/84/02/570388402.db2.gz LIWUJEMITRJZCV-HXUWFJFHSA-N 0 0 388.533 4.104 40 0 GIABRN Cn1c2nnc(SCc3c(Cl)cccc3Cl)n2c2ccccc2c1=O ZINC000032329888 570391337 /nfs/dbraw/zinc/39/13/37/570391337.db2.gz WIKRIEACEFDRFT-UHFFFAOYSA-N 0 0 391.283 4.180 40 0 GIABRN O=C(Cc1ccc(Cl)cc1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000024931253 570399268 /nfs/dbraw/zinc/39/92/68/570399268.db2.gz OMCYYKKLLIZEQD-HXUWFJFHSA-N 0 0 379.891 4.321 40 0 GIABRN CCN(c1ccc(C(=O)Nc2cccc(Cl)c2C)cc1)S(=O)(=O)CC ZINC000222393223 570409596 /nfs/dbraw/zinc/40/95/96/570409596.db2.gz NRBDCTNISSHKPC-UHFFFAOYSA-N 0 0 380.897 4.077 40 0 GIABRN CCc1cccc(CC)c1NC(=O)c1ccc(N(CC)S(=O)(=O)CC)cc1 ZINC000222395795 570409609 /nfs/dbraw/zinc/40/96/09/570409609.db2.gz UWICIDOYSLFFLM-UHFFFAOYSA-N 0 0 388.533 4.240 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 ZINC000222411857 570409871 /nfs/dbraw/zinc/40/98/71/570409871.db2.gz GSGUUGGTYZEDJH-QFIPXVFZSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 ZINC000222413302 570410238 /nfs/dbraw/zinc/41/02/38/570410238.db2.gz ZNDRYUGUYADUIX-OAQYLSRUSA-N 0 0 398.572 4.419 40 0 GIABRN CCc1ccccc1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 ZINC000222526837 570413739 /nfs/dbraw/zinc/41/37/39/570413739.db2.gz GFUGLWOUCKGSOW-UHFFFAOYSA-N 0 0 394.496 4.326 40 0 GIABRN COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(Cl)cc1O ZINC000222590216 570415706 /nfs/dbraw/zinc/41/57/06/570415706.db2.gz GFEYHABLQHPKEU-PZDALLCQSA-N 0 0 375.881 4.039 40 0 GIABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccnc1 ZINC000222598145 570416107 /nfs/dbraw/zinc/41/61/07/570416107.db2.gz JOLBTLIYHUYHCJ-IWMITWMQSA-N 0 0 389.528 4.473 40 0 GIABRN 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]3CC[C@]12C ZINC000038411499 570417675 /nfs/dbraw/zinc/41/76/75/570417675.db2.gz LNQFXEKUXJUUMN-QTLDOONUSA-N 0 0 376.537 4.138 40 0 GIABRN CCc1ccc(N(CCCC(=O)Nc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000222638803 570418143 /nfs/dbraw/zinc/41/81/43/570418143.db2.gz HJGFAQNWLFRMIH-UHFFFAOYSA-N 0 0 394.924 4.087 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C ZINC000222655368 570418946 /nfs/dbraw/zinc/41/89/46/570418946.db2.gz SQBPNARTOHBGMH-NRFANRHFSA-N 0 0 384.495 4.009 40 0 GIABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1cccc2ccccc21 ZINC000222669875 570419934 /nfs/dbraw/zinc/41/99/34/570419934.db2.gz PMRLFBWXZKSJQS-UHFFFAOYSA-N 0 0 393.439 4.215 40 0 GIABRN Cn1c(C(=O)O[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc2sccc21 ZINC000004966902 570420177 /nfs/dbraw/zinc/42/01/77/570420177.db2.gz XHFCYBPWXIKFQT-LJQANCHMSA-N 0 0 382.485 4.197 40 0 GIABRN Cc1ccccc1CN(C(=O)CCc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C ZINC000222678863 570420480 /nfs/dbraw/zinc/42/04/80/570420480.db2.gz MZYIYAUOFPBYOK-IBGZPJMESA-N 0 0 380.532 4.260 40 0 GIABRN C[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000222692996 570421042 /nfs/dbraw/zinc/42/10/42/570421042.db2.gz IBWYLIMAPMSDDE-CVEARBPZSA-N 0 0 383.488 4.400 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222704114 570421340 /nfs/dbraw/zinc/42/13/40/570421340.db2.gz ASMFWCBPJGFPAB-LJQANCHMSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3Cc3ccccn3)N21 ZINC000222710838 570421825 /nfs/dbraw/zinc/42/18/25/570421825.db2.gz RJUSZUDLJUIPMG-JRGCBEDISA-N 0 0 389.528 4.306 40 0 GIABRN CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 ZINC000026124104 570422811 /nfs/dbraw/zinc/42/28/11/570422811.db2.gz FWRNEQPTLMIOKY-UHFFFAOYSA-N 0 0 376.391 4.211 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2cc(C)ccc2C)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222740295 570423182 /nfs/dbraw/zinc/42/31/82/570423182.db2.gz RSRTZBDZGRTQRA-HXUWFJFHSA-N 0 0 394.559 4.486 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1cccc(C)c1 ZINC000222748115 570423880 /nfs/dbraw/zinc/42/38/80/570423880.db2.gz ZSYSUHBBMVJDQK-UHFFFAOYSA-N 0 0 387.530 4.388 40 0 GIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222789755 570426058 /nfs/dbraw/zinc/42/60/58/570426058.db2.gz PTDFAQXPZYETHY-QFIPXVFZSA-N 0 0 398.522 4.338 40 0 GIABRN COc1cc(CNC(=O)COc2ccccc2C(C)(C)C)ccc1OC(C)C ZINC000222796134 570426130 /nfs/dbraw/zinc/42/61/30/570426130.db2.gz BUQHKEWCCVBYAL-UHFFFAOYSA-N 0 0 385.504 4.475 40 0 GIABRN CN(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccccc1C(C)(C)C ZINC000222802928 570426859 /nfs/dbraw/zinc/42/68/59/570426859.db2.gz OABLJBWNTDLDQO-UHFFFAOYSA-N 0 0 379.460 4.072 40 0 GIABRN COc1cccc(O[C@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 ZINC000222824867 570427973 /nfs/dbraw/zinc/42/79/73/570427973.db2.gz HRBFIFKJMNGFGF-LLVKDONJSA-N 0 0 389.864 4.273 40 0 GIABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1OC ZINC000222865427 570429665 /nfs/dbraw/zinc/42/96/65/570429665.db2.gz PSLDNXMBAVLQRG-RTWAWAEBSA-N 0 0 392.528 4.263 40 0 GIABRN O=C(NCCCNc1ccnc2cc(Cl)ccc21)c1cc(F)ccc1F ZINC000222968543 570433691 /nfs/dbraw/zinc/43/36/91/570433691.db2.gz HMGJMEMHYZBMNJ-UHFFFAOYSA-N 0 0 375.806 4.398 40 0 GIABRN Brc1ccc(-c2nnc([C@H](c3ccccc3)n3ccnc3)o2)cc1 ZINC000005323841 570434014 /nfs/dbraw/zinc/43/40/14/570434014.db2.gz DYUYXRYCKKFVFB-INIZCTEOSA-N 0 0 381.233 4.333 40 0 GIABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000222979252 570434934 /nfs/dbraw/zinc/43/49/34/570434934.db2.gz NMHQFWUBZFHHCH-SFHVURJKSA-N 0 0 386.536 4.219 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl ZINC000222993978 570435656 /nfs/dbraw/zinc/43/56/56/570435656.db2.gz DIMLKXXKCOMDAU-KRWDZBQOSA-N 0 0 386.923 4.216 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1C ZINC000222993329 570435663 /nfs/dbraw/zinc/43/56/63/570435663.db2.gz PJGMGGWHKCRCSU-HXUWFJFHSA-N 0 0 396.531 4.016 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cccc(C)c1C ZINC000222993256 570435859 /nfs/dbraw/zinc/43/58/59/570435859.db2.gz FKIHEUQTYLRCHZ-FQEVSTJZSA-N 0 0 396.531 4.016 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl ZINC000223006754 570437046 /nfs/dbraw/zinc/43/70/46/570437046.db2.gz HLIIJTLLEBOERE-FQEVSTJZSA-N 0 0 386.923 4.134 40 0 GIABRN CC[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)CCCC2 ZINC000223021342 570437758 /nfs/dbraw/zinc/43/77/58/570437758.db2.gz LCOSPDDNYOBMHJ-IBGZPJMESA-N 0 0 383.488 4.472 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 ZINC000223034975 570439098 /nfs/dbraw/zinc/43/90/98/570439098.db2.gz XLOQJUKUKOEYFL-HXUWFJFHSA-N 0 0 380.532 4.180 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 ZINC000223045690 570439442 /nfs/dbraw/zinc/43/94/42/570439442.db2.gz UZYFJPGZBQDXJM-LJQANCHMSA-N 0 0 398.572 4.421 40 0 GIABRN O=C(Nc1ccc(Cl)cc1Cl)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000223043528 570439537 /nfs/dbraw/zinc/43/95/37/570439537.db2.gz NFJIHLAZSZUMDZ-UHFFFAOYSA-N 0 0 394.283 4.194 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000223090509 570442522 /nfs/dbraw/zinc/44/25/22/570442522.db2.gz AEIKWDNXFNABDU-JOCHJYFZSA-N 0 0 396.531 4.016 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(C)c(C)c1 ZINC000223120514 570444710 /nfs/dbraw/zinc/44/47/10/570444710.db2.gz LFBNUYQLQXNIRX-MOPGFXCFSA-N 0 0 398.522 4.317 40 0 GIABRN CC[C@@H](NS(=O)(=O)c1cc(F)ccc1OC)c1ccc2c(c1)CCCC2 ZINC000223131173 570445391 /nfs/dbraw/zinc/44/53/91/570445391.db2.gz SKYKSMQHMCEFCH-GOSISDBHSA-N 0 0 377.481 4.143 40 0 GIABRN CC[NH+](CC)CCOC(=O)[C@@](O)(c1csc2ccccc21)c1cccc(C)c1 ZINC000005572742 570446893 /nfs/dbraw/zinc/44/68/93/570446893.db2.gz XODBNVAUBLQYCF-QHCPKHFHSA-N 0 0 397.540 4.331 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000223170182 570448129 /nfs/dbraw/zinc/44/81/29/570448129.db2.gz RFXCPFBDGMQHMH-NRFANRHFSA-N 0 0 380.532 4.260 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl ZINC000223194181 570448970 /nfs/dbraw/zinc/44/89/70/570448970.db2.gz NHUJHDSLWAFXBO-SFHVURJKSA-N 0 0 393.314 4.089 40 0 GIABRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C ZINC000223200720 570449290 /nfs/dbraw/zinc/44/92/90/570449290.db2.gz OSXQSLGXCHRLFV-QFIPXVFZSA-N 0 0 398.522 4.338 40 0 GIABRN O=C(CSc1ncnc2c(-c3ccccc3)nsc21)NCc1ccccc1 ZINC000035289084 570453130 /nfs/dbraw/zinc/45/31/30/570453130.db2.gz GCPZKJVNOFQNDP-UHFFFAOYSA-N 0 0 392.509 4.162 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 ZINC000223270722 570455237 /nfs/dbraw/zinc/45/52/37/570455237.db2.gz LNLWAUIDFCIXML-OAQYLSRUSA-N 0 0 380.532 4.260 40 0 GIABRN O=C(NCc1ccc(Cl)cc1)C1CCN(c2nc3ccccc3s2)CC1 ZINC000035290297 570456897 /nfs/dbraw/zinc/45/68/97/570456897.db2.gz KEUZHJPVYIHTCN-UHFFFAOYSA-N 0 0 385.920 4.483 40 0 GIABRN COCCN(Cc1cc2cc(OC)ccc2nc1Cl)C(=O)c1cccs1 ZINC000035290181 570456911 /nfs/dbraw/zinc/45/69/11/570456911.db2.gz FSGCSGNLXGLERE-UHFFFAOYSA-N 0 0 390.892 4.247 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000223304903 570457040 /nfs/dbraw/zinc/45/70/40/570457040.db2.gz WSWGXBBLHUTPQI-HNNXBMFYSA-N 0 0 377.506 4.175 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1C[C@@H]1CCCO1 ZINC000223303832 570457214 /nfs/dbraw/zinc/45/72/14/570457214.db2.gz CENZMXQLBFTGEW-DZFGPLHGSA-N 0 0 396.560 4.150 40 0 GIABRN CCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000223338569 570459639 /nfs/dbraw/zinc/45/96/39/570459639.db2.gz SJOXFMFQIUAPBK-XMMPIXPASA-N 0 0 386.495 4.483 40 0 GIABRN CCCc1nc2ccccc2c(SCC(=O)Nc2cc(OC)ccc2OC)n1 ZINC000035291561 570460262 /nfs/dbraw/zinc/46/02/62/570460262.db2.gz UEFQXDWAISUSMX-UHFFFAOYSA-N 0 0 397.500 4.330 40 0 GIABRN CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000223350779 570460812 /nfs/dbraw/zinc/46/08/12/570460812.db2.gz KUSRFWFUMUWZBV-XMMPIXPASA-N 0 0 386.495 4.135 40 0 GIABRN CCOc1ccc(NC(=S)N2CCC(n3cnc4ccccc43)CC2)cc1 ZINC000035291821 570461118 /nfs/dbraw/zinc/46/11/18/570461118.db2.gz ILOGHMGAMHUUKO-UHFFFAOYSA-N 0 0 380.517 4.469 40 0 GIABRN CCc1ccc(CC)c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1 ZINC000223356610 570461340 /nfs/dbraw/zinc/46/13/40/570461340.db2.gz BVTZUUSIKVRFCV-ACCUITESSA-N 0 0 383.488 4.167 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1Cc1cccnc1 ZINC000223448338 570466555 /nfs/dbraw/zinc/46/65/55/570466555.db2.gz QEMSPYDLTPPXRB-IRXDYDNUSA-N 0 0 386.933 4.364 40 0 GIABRN O=C(Nc1ccccc1-c1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000035311665 570467012 /nfs/dbraw/zinc/46/70/12/570467012.db2.gz ALZURDLNRXEGPN-PKOBYXMFSA-N 0 0 385.467 4.167 40 0 GIABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000223462675 570467351 /nfs/dbraw/zinc/46/73/51/570467351.db2.gz CJQKJAONVLYPQS-NRFANRHFSA-N 0 0 398.572 4.073 40 0 GIABRN O=C(NC1C[C@H]2CCC[C@@H](C1)N2C(=O)Nc1ccccc1)c1cccc(F)c1 ZINC000035312798 570467860 /nfs/dbraw/zinc/46/78/60/570467860.db2.gz MVAHLMJYHPGQAL-IHWFROFDSA-N 0 0 381.451 4.173 40 0 GIABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000223543665 570470298 /nfs/dbraw/zinc/47/02/98/570470298.db2.gz DNJXXDKMHFHPMZ-NRFANRHFSA-N 0 0 394.559 4.304 40 0 GIABRN COc1cc2cc3c(N)c(C(=O)Nc4ccccc4F)sc3nc2cc1OC ZINC000035311086 570471142 /nfs/dbraw/zinc/47/11/42/570471142.db2.gz HBLAZGSUCGZPGH-UHFFFAOYSA-N 0 0 397.431 4.440 40 0 GIABRN CC(=O)NC(=S)Nc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000006239199 570473421 /nfs/dbraw/zinc/47/34/21/570473421.db2.gz UEKGLZVDNYHKRD-AWNIVKPZSA-N 0 0 381.501 4.295 40 0 GIABRN CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000006238419 570473515 /nfs/dbraw/zinc/47/35/15/570473515.db2.gz LJSBBHAHSXPNOU-UHFFFAOYSA-N 0 0 389.480 4.439 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 ZINC000223595522 570473579 /nfs/dbraw/zinc/47/35/79/570473579.db2.gz CYQRCLOMVHZCIZ-SFHVURJKSA-N 0 0 384.545 4.031 40 0 GIABRN Cc1cccc(N2CCN(C(=O)COc3cccc(C(F)(F)F)c3)CC2)c1C ZINC000006253051 570474336 /nfs/dbraw/zinc/47/43/36/570474336.db2.gz ZFHWQQLMMLCMIN-UHFFFAOYSA-N 0 0 392.421 4.050 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 ZINC000223640031 570476386 /nfs/dbraw/zinc/47/63/86/570476386.db2.gz BNRSBFPONMJEAV-GOSISDBHSA-N 0 0 384.545 4.031 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(C)c1 ZINC000223679770 570478361 /nfs/dbraw/zinc/47/83/61/570478361.db2.gz AGOFQQPAIVEVFZ-LJQANCHMSA-N 0 0 398.572 4.090 40 0 GIABRN Cc1cccc(CCCNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1 ZINC000223699561 570479816 /nfs/dbraw/zinc/47/98/16/570479816.db2.gz IBTTWXKUVNLSNV-XLNRJJMWSA-N 0 0 388.467 4.108 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000223710681 570480580 /nfs/dbraw/zinc/48/05/80/570480580.db2.gz XFSVGYZAZGHAOE-JOCHJYFZSA-N 0 0 394.559 4.302 40 0 GIABRN O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(-c3ccc(Cl)cc3)cs2)C1 ZINC000006473467 570481138 /nfs/dbraw/zinc/48/11/38/570481138.db2.gz OGEKPXMMTMJZSM-DZGCQCFKSA-N 0 0 383.904 4.249 40 0 GIABRN CC(C)(C)c1ccccc1OCCNC(=O)Cc1cccc(Br)c1 ZINC000223741861 570482751 /nfs/dbraw/zinc/48/27/51/570482751.db2.gz FSLJLOCMVFQJIK-UHFFFAOYSA-N 0 0 390.321 4.484 40 0 GIABRN COc1ccc(C)cc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1 ZINC000223744966 570482761 /nfs/dbraw/zinc/48/27/61/570482761.db2.gz GERNHRAZUPBQBB-ZHZULCJRSA-N 0 0 390.439 4.315 40 0 GIABRN Cc1ccccc1CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC1CCCC1 ZINC000223756118 570482981 /nfs/dbraw/zinc/48/29/81/570482981.db2.gz RSESPAAKQYWBBJ-LJQANCHMSA-N 0 0 378.516 4.014 40 0 GIABRN CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)c1 ZINC000006596389 570484416 /nfs/dbraw/zinc/48/44/16/570484416.db2.gz ANLXEZWCOCKWLZ-UHCBGPFTSA-N 0 0 386.561 4.293 40 0 GIABRN COc1ccc(CNC(=S)Nc2ccc(Oc3ccccc3OC)nc2)cc1 ZINC000223927746 570490454 /nfs/dbraw/zinc/49/04/54/570490454.db2.gz FJIWBYFCXOQUCB-UHFFFAOYSA-N 0 0 395.484 4.378 40 0 GIABRN Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC000223924525 570490566 /nfs/dbraw/zinc/49/05/66/570490566.db2.gz HQJDSFDFJXOWJC-KRWDZBQOSA-N 0 0 394.496 4.287 40 0 GIABRN Cc1cccc(OCCNC(=O)[C@H](C)Oc2ccc(Br)cc2)c1C ZINC000223950735 570491432 /nfs/dbraw/zinc/49/14/32/570491432.db2.gz NGAZZBXERXFQGP-HNNXBMFYSA-N 0 0 392.293 4.028 40 0 GIABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)o2)cc1 ZINC000223958646 570491859 /nfs/dbraw/zinc/49/18/59/570491859.db2.gz VXJVVEDJMWRPFR-PMACEKPBSA-N 0 0 392.484 4.119 40 0 GIABRN COc1cc2c(cc1S(=O)(=O)N(C)Cc1ccc(Cl)cc1)CCCC2 ZINC000223974662 570492426 /nfs/dbraw/zinc/49/24/26/570492426.db2.gz BZFGEQIYFRRSRZ-UHFFFAOYSA-N 0 0 379.909 4.048 40 0 GIABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000223982785 570492921 /nfs/dbraw/zinc/49/29/21/570492921.db2.gz HBVOKUJVERWOMI-IBGZPJMESA-N 0 0 393.527 4.197 40 0 GIABRN S=C(NCC1(c2cccc(Cl)c2)CCOCC1)Nc1ccc(Cl)cn1 ZINC000224019845 570494990 /nfs/dbraw/zinc/49/49/90/570494990.db2.gz XMIALZZJZMNDHJ-UHFFFAOYSA-N 0 0 396.343 4.423 40 0 GIABRN COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccccc1 ZINC000224088787 570498051 /nfs/dbraw/zinc/49/80/51/570498051.db2.gz HQNOINQMKRAXMB-UHFFFAOYSA-N 0 0 391.423 4.298 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1C ZINC000224094442 570498384 /nfs/dbraw/zinc/49/83/84/570498384.db2.gz XOMREHBUNPDPFV-OAQYLSRUSA-N 0 0 398.572 4.172 40 0 GIABRN Cc1ccc(C)c(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224103744 570498762 /nfs/dbraw/zinc/49/87/62/570498762.db2.gz LTKJWOZNJSKMFG-HXUWFJFHSA-N 0 0 380.532 4.035 40 0 GIABRN Cc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1Cl ZINC000006966775 570499666 /nfs/dbraw/zinc/49/96/66/570499666.db2.gz UIPVKHOQPZOXHO-UHFFFAOYSA-N 0 0 399.922 4.205 40 0 GIABRN Cc1ccc(OCCNS(=O)(=O)c2ccc3ccccc3c2)cc1Cl ZINC000224142764 570500854 /nfs/dbraw/zinc/50/08/54/570500854.db2.gz JIKMAZDBTVMEIH-UHFFFAOYSA-N 0 0 375.877 4.159 40 0 GIABRN Cc1ccc(C)c(N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)c1 ZINC000224149673 570500871 /nfs/dbraw/zinc/50/08/71/570500871.db2.gz GHROADGRVXHEGK-UHFFFAOYSA-N 0 0 396.597 4.181 40 0 GIABRN Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)c1 ZINC000224151252 570501194 /nfs/dbraw/zinc/50/11/94/570501194.db2.gz SNLJASOWVAUMBT-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 ZINC000224165905 570501803 /nfs/dbraw/zinc/50/18/03/570501803.db2.gz RTKNEBQQWCENRS-QFIPXVFZSA-N 0 0 396.531 4.098 40 0 GIABRN CC(C)(C)c1ccc(OCCNS(=O)(=O)Cc2c(F)cccc2Cl)cc1 ZINC000224182177 570502687 /nfs/dbraw/zinc/50/26/87/570502687.db2.gz XAZXKNPTAKSQJM-UHFFFAOYSA-N 0 0 399.915 4.275 40 0 GIABRN CCc1ccc(OCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000224179942 570502763 /nfs/dbraw/zinc/50/27/63/570502763.db2.gz PXWXRUDBKXSHEL-UHFFFAOYSA-N 0 0 388.316 4.054 40 0 GIABRN O=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000007367000 570503369 /nfs/dbraw/zinc/50/33/69/570503369.db2.gz GMFCZFQXCILXPV-UHFFFAOYSA-N 0 0 390.458 4.367 40 0 GIABRN COC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccc(Cl)c(C)c2)c1 ZINC000224211991 570503655 /nfs/dbraw/zinc/50/36/55/570503655.db2.gz AWWQCEJGFLLTGZ-CQSZACIVSA-N 0 0 377.868 4.001 40 0 GIABRN Cc1ccc(-c2noc(CCC(=O)Nc3cccc(Br)c3)n2)cc1 ZINC000007382056 570503697 /nfs/dbraw/zinc/50/36/97/570503697.db2.gz IETNWXCFQYBUJX-UHFFFAOYSA-N 0 0 386.249 4.379 40 0 GIABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NCC(C)C)cc2c1 ZINC000000875400 570503782 /nfs/dbraw/zinc/50/37/82/570503782.db2.gz SQWFDJDJXZAXSI-UHFFFAOYSA-N 0 0 397.544 4.271 40 0 GIABRN COc1ccc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c(C)cc2c1 ZINC000000875773 570503815 /nfs/dbraw/zinc/50/38/15/570503815.db2.gz YPZPICPELOFZAZ-UHFFFAOYSA-N 0 0 382.441 4.011 40 0 GIABRN CCCSc1nnc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)s1 ZINC000224217504 570504041 /nfs/dbraw/zinc/50/40/41/570504041.db2.gz VHZNJXSVRVTHMP-LBPRGKRZSA-N 0 0 377.535 4.325 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 ZINC000224225825 570504543 /nfs/dbraw/zinc/50/45/43/570504543.db2.gz ZZKFUJSUFNYVDE-NRFANRHFSA-N 0 0 398.572 4.339 40 0 GIABRN Cc1ccc2[nH]c3nc(SCC(=O)Nc4ccc(C)cc4C)nnc3c2c1 ZINC000000878075 570504422 /nfs/dbraw/zinc/50/44/22/570504422.db2.gz IVSVOHNGEBUYBJ-UHFFFAOYSA-N 0 0 377.473 4.162 40 0 GIABRN Nc1cc(C(Br)(Br)Br)nc2ccccc12 ZINC000031673137 570505224 /nfs/dbraw/zinc/50/52/24/570505224.db2.gz UYPIRZASBSYUCS-UHFFFAOYSA-N 0 0 394.892 4.112 40 0 GIABRN COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccccc1OC ZINC000224248563 570505738 /nfs/dbraw/zinc/50/57/38/570505738.db2.gz OOZIUQXLLZTQPV-UHFFFAOYSA-N 0 0 395.430 4.352 40 0 GIABRN COc1ccc(OCc2cc(C(=O)NCc3ccccc3)ccc2OC)cc1 ZINC000224262402 570506392 /nfs/dbraw/zinc/50/63/92/570506392.db2.gz AJYIZVZXYBQJOY-UHFFFAOYSA-N 0 0 377.440 4.213 40 0 GIABRN Cc1ccc(C(=O)N(C)c2ccccc2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000224296942 570507815 /nfs/dbraw/zinc/50/78/15/570507815.db2.gz KAPRHGPNUMOYSX-UHFFFAOYSA-N 0 0 394.496 4.097 40 0 GIABRN CCNC(=S)N(Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000000883272 570508702 /nfs/dbraw/zinc/50/87/02/570508702.db2.gz OZPZGCIMIIFHDB-UHFFFAOYSA-N 0 0 379.529 4.042 40 0 GIABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000224324771 570509032 /nfs/dbraw/zinc/50/90/32/570509032.db2.gz IGVYOMBYMITHBF-INIZCTEOSA-N 0 0 378.472 4.098 40 0 GIABRN O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1cccc(Cl)c1Cl ZINC000032118781 570509163 /nfs/dbraw/zinc/50/91/63/570509163.db2.gz DKGYFZSAVQSYFP-UHFFFAOYSA-N 0 0 383.344 4.422 40 0 GIABRN CCc1ccc(OCc2nnc(SCC(=O)c3cc(F)ccc3O)o2)cc1 ZINC000000885487 570510116 /nfs/dbraw/zinc/51/01/16/570510116.db2.gz VKNPJHGVWMRTFN-UHFFFAOYSA-N 0 0 388.420 4.031 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(CC)cc1 ZINC000224386994 570511544 /nfs/dbraw/zinc/51/15/44/570511544.db2.gz PTTJHCOFQYZLFN-QFIPXVFZSA-N 0 0 398.522 4.264 40 0 GIABRN COC[C@H](C)NC(=O)c1ccc(OC)c(CSc2ccc(Cl)cc2)c1 ZINC000224392221 570511933 /nfs/dbraw/zinc/51/19/33/570511933.db2.gz CPDYTKLSCXACPF-ZDUSSCGKSA-N 0 0 379.909 4.406 40 0 GIABRN CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 ZINC000032675513 570513292 /nfs/dbraw/zinc/51/32/92/570513292.db2.gz MKNWABOOOLUYSN-UHFFFAOYSA-N 0 0 380.425 4.210 40 0 GIABRN Cc1cccc(OCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1C ZINC000007721452 570513502 /nfs/dbraw/zinc/51/35/02/570513502.db2.gz MDTRRXQAFSPDBN-UHFFFAOYSA-N 0 0 385.851 4.044 40 0 GIABRN CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1cccc(C)c1 ZINC000000896929 570513659 /nfs/dbraw/zinc/51/36/59/570513659.db2.gz SCXBVALNZUZASP-UHFFFAOYSA-N 0 0 387.534 4.078 40 0 GIABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCOc1ccc(OC)cc1 ZINC000224456709 570513941 /nfs/dbraw/zinc/51/39/41/570513941.db2.gz CKHSYWHCBQGZPH-OAQYLSRUSA-N 0 0 379.456 4.201 40 0 GIABRN CC[C@@H](C)NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000000901496 570514387 /nfs/dbraw/zinc/51/43/87/570514387.db2.gz SWMOBUHHGCQSJK-SECBINFHSA-N 0 0 375.441 4.231 40 0 GIABRN C[C@@H]1C[C@H](C(F)F)n2nc(C(=O)Nc3ccccc3Cc3ccccc3)nc2N1 ZINC000000900706 570514398 /nfs/dbraw/zinc/51/43/98/570514398.db2.gz OZRWDVDELKMXEB-CXAGYDPISA-N 0 0 397.429 4.132 40 0 GIABRN Cc1cc(C)c(C)c(OCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000007759679 570514947 /nfs/dbraw/zinc/51/49/47/570514947.db2.gz WXQBYHLXLKCORS-UHFFFAOYSA-N 0 0 399.878 4.353 40 0 GIABRN CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSc1ccccc1 ZINC000224484721 570515126 /nfs/dbraw/zinc/51/51/26/570515126.db2.gz ZMBVLTIFIKHNFW-IBGZPJMESA-N 0 0 398.572 4.011 40 0 GIABRN Cc1ccc(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1C ZINC000224505068 570515993 /nfs/dbraw/zinc/51/59/93/570515993.db2.gz UFSPYAUJQNINSG-NRFANRHFSA-N 0 0 394.559 4.078 40 0 GIABRN CCOC(=O)c1cc(NC(=O)COc2cccc3c2CCCC3)ccc1Cl ZINC000224508890 570516038 /nfs/dbraw/zinc/51/60/38/570516038.db2.gz PSPKBZHBCWQVIY-UHFFFAOYSA-N 0 0 387.863 4.413 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000224543264 570517697 /nfs/dbraw/zinc/51/76/97/570517697.db2.gz NMNJQQWODIDKHI-QHCPKHFHSA-N 0 0 394.559 4.426 40 0 GIABRN CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1 ZINC000224593369 570519699 /nfs/dbraw/zinc/51/96/99/570519699.db2.gz AODLFDYTFUIXRH-VQTJNVASSA-N 0 0 378.501 4.347 40 0 GIABRN CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1cc(C)cc(C)c1C ZINC000224607618 570520398 /nfs/dbraw/zinc/52/03/98/570520398.db2.gz URVWHFULKZBZJK-NRFANRHFSA-N 0 0 397.515 4.498 40 0 GIABRN CC[C@H](Oc1ccccc1OC)C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000224614617 570520449 /nfs/dbraw/zinc/52/04/49/570520449.db2.gz PTQMACMJUPWTSU-IBGZPJMESA-N 0 0 385.504 4.345 40 0 GIABRN Cc1c2ccccc2oc1C(=O)N1CC2(C1)C[C@H](OCc1ccccn1)CS2 ZINC000575405076 570521167 /nfs/dbraw/zinc/52/11/67/570521167.db2.gz ROGQRLUCDXNROL-KRWDZBQOSA-N 0 0 394.496 4.053 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000224633618 570521510 /nfs/dbraw/zinc/52/15/10/570521510.db2.gz JXKXLGQYNYUFAA-IBGZPJMESA-N 0 0 398.572 4.421 40 0 GIABRN Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000008302439 570527446 /nfs/dbraw/zinc/52/74/46/570527446.db2.gz OGZLQLUMLBTEBU-XNTDXEJSSA-N 0 0 398.528 4.212 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccccc1 ZINC000224764783 570529835 /nfs/dbraw/zinc/52/98/35/570529835.db2.gz LBRLTQKJKPXYCW-FQEVSTJZSA-N 0 0 396.531 4.098 40 0 GIABRN CCOc1ccc(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000028184143 570530300 /nfs/dbraw/zinc/53/03/00/570530300.db2.gz DYUSGLXPUXERHD-UHFFFAOYSA-N 0 0 392.908 4.358 40 0 GIABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)o2)c(OC)c1 ZINC000224794208 570530839 /nfs/dbraw/zinc/53/08/39/570530839.db2.gz YZXUWZQSCQSUDF-WOJBJXKFSA-N 0 0 395.484 4.177 40 0 GIABRN COc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccccc3)o2)c(OC)c1 ZINC000224865728 570535139 /nfs/dbraw/zinc/53/51/39/570535139.db2.gz MTDKQKZNLHQAFS-OAHLLOKOSA-N 0 0 380.444 4.169 40 0 GIABRN COc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccccc3)o2)c(OC)c1 ZINC000224865692 570535141 /nfs/dbraw/zinc/53/51/41/570535141.db2.gz MTDKQKZNLHQAFS-HNNXBMFYSA-N 0 0 380.444 4.169 40 0 GIABRN COc1ccc2cc(S(=O)(=O)NCCCc3ccc(Cl)cc3)ccc2c1 ZINC000224897033 570536828 /nfs/dbraw/zinc/53/68/28/570536828.db2.gz HRMZXDYMZMWAPJ-UHFFFAOYSA-N 0 0 389.904 4.413 40 0 GIABRN O=C(Nc1ccccc1)N1CC(=O)N(OCc2ccccc2)[C@@H]1c1ccccc1 ZINC000001083114 570537111 /nfs/dbraw/zinc/53/71/11/570537111.db2.gz SKRVEFHHUUXGNQ-JOCHJYFZSA-N 0 0 387.439 4.193 40 0 GIABRN CCc1ccc2[nH]c(=O)c(CN(C(=S)NCC(C)C)C3CCCC3)cc2c1 ZINC000000924181 570537815 /nfs/dbraw/zinc/53/78/15/570537815.db2.gz FFBONNHAVKIDOA-UHFFFAOYSA-N 0 0 385.577 4.366 40 0 GIABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C)cc1Cl ZINC000224964345 570539931 /nfs/dbraw/zinc/53/99/31/570539931.db2.gz PUIGGAAOWOGWHB-MOPGFXCFSA-N 0 0 398.919 4.259 40 0 GIABRN Cc1ccc(SCCNC(=O)c2cccc(I)c2)cc1 ZINC000224960804 570540069 /nfs/dbraw/zinc/54/00/69/570540069.db2.gz VAEOQWWLVXXACB-UHFFFAOYSA-N 0 0 397.281 4.122 40 0 GIABRN CCOc1ccccc1NC(=O)CSc1nc2cc3c(cc2cc1C)OCO3 ZINC000000930015 570540267 /nfs/dbraw/zinc/54/02/67/570540267.db2.gz GKPKXORCMQARTA-UHFFFAOYSA-N 0 0 396.468 4.401 40 0 GIABRN CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000224969373 570540494 /nfs/dbraw/zinc/54/04/94/570540494.db2.gz GIODMQUJKFXMIS-UHFFFAOYSA-N 0 0 383.897 4.351 40 0 GIABRN COc1ccc(OC[C@@H](C)NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 ZINC000224989334 570541737 /nfs/dbraw/zinc/54/17/37/570541737.db2.gz PKAUIQSVEFZKTI-CQSZACIVSA-N 0 0 377.868 4.090 40 0 GIABRN COc1ccc(OC[C@H](C)NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 ZINC000224989375 570541836 /nfs/dbraw/zinc/54/18/36/570541836.db2.gz PKAUIQSVEFZKTI-AWEZNQCLSA-N 0 0 377.868 4.090 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)ccc1C ZINC000225000216 570542680 /nfs/dbraw/zinc/54/26/80/570542680.db2.gz LHFRRUBZHPPMBB-VQTJNVASSA-N 0 0 396.531 4.014 40 0 GIABRN CCOc1ccc(C(=O)NCCCN(CC)c2ccc(C)cc2)cc1OCC ZINC000225067183 570546553 /nfs/dbraw/zinc/54/65/53/570546553.db2.gz BWXPPJPOUUOOEK-UHFFFAOYSA-N 0 0 384.520 4.439 40 0 GIABRN CCN(CCNC(=O)c1cc(Br)ccc1Cl)c1ccccc1 ZINC000225075569 570547400 /nfs/dbraw/zinc/54/74/00/570547400.db2.gz UYOYSZSAWKSQSP-UHFFFAOYSA-N 0 0 381.701 4.359 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 ZINC000225092520 570548042 /nfs/dbraw/zinc/54/80/42/570548042.db2.gz FAHICYPFDWUHHR-WOJBJXKFSA-N 0 0 380.532 4.178 40 0 GIABRN CCn1c2ccc(NC(=O)c3cc4ccccc4cc3OC)cc2sc1=O ZINC000225108902 570549286 /nfs/dbraw/zinc/54/92/86/570549286.db2.gz ROQGJRUXELGXJW-UHFFFAOYSA-N 0 0 378.453 4.497 40 0 GIABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC ZINC000225108261 570549325 /nfs/dbraw/zinc/54/93/25/570549325.db2.gz PRKHTUUIRJWKNI-GOSISDBHSA-N 0 0 384.501 4.496 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1 ZINC000225131238 570551165 /nfs/dbraw/zinc/55/11/65/570551165.db2.gz CWPXMKXKNZVRFL-QFIPXVFZSA-N 0 0 396.531 4.016 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F ZINC000225132736 570551504 /nfs/dbraw/zinc/55/15/04/570551504.db2.gz KHDJDDRZGNSYMR-ZWKOTPCHSA-N 0 0 384.495 4.009 40 0 GIABRN O=C1S/C(=C/c2ccccn2)C(=O)N1Cc1cccc(Br)c1 ZINC000009234204 570553134 /nfs/dbraw/zinc/55/31/34/570553134.db2.gz UXECYCAKHFQVJJ-NTEUORMPSA-N 0 0 375.247 4.081 40 0 GIABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)C(C)C)ccc2C)c1 ZINC000225200192 570555702 /nfs/dbraw/zinc/55/57/02/570555702.db2.gz QHCQSDPNBCCTEX-QGZVFWFLSA-N 0 0 388.533 4.187 40 0 GIABRN COc1ccc(OC[C@@H](C)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000225264904 570560024 /nfs/dbraw/zinc/56/00/24/570560024.db2.gz BCQNXQZBRVDCCD-GFCCVEGCSA-N 0 0 384.423 4.468 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)cc1 ZINC000225269858 570561239 /nfs/dbraw/zinc/56/12/39/570561239.db2.gz KHXIDTSZCJIWGY-UHFFFAOYSA-N 0 0 393.468 4.348 40 0 GIABRN O=C(NCCc1c[nH]c2ccc(F)cc12)Nc1cccc(Br)c1 ZINC000009873961 570562250 /nfs/dbraw/zinc/56/22/50/570562250.db2.gz CSDVZZFJTOONMK-UHFFFAOYSA-N 0 0 376.229 4.434 40 0 GIABRN Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)COc3ccc(C)c(C)c3)cc2)n1 ZINC000225294186 570562632 /nfs/dbraw/zinc/56/26/32/570562632.db2.gz RBIDNMKZXDIJCD-IBGZPJMESA-N 0 0 391.515 4.362 40 0 GIABRN Cc1cc(C)n(Cc2ccc(C(=O)Nc3nnc(SC(C)C)s3)cc2)n1 ZINC000225295575 570562655 /nfs/dbraw/zinc/56/26/55/570562655.db2.gz MADUZAODDGNLPJ-UHFFFAOYSA-N 0 0 387.534 4.153 40 0 GIABRN CCCOc1ccccc1CCCNS(=O)(=O)c1c(C)cc(OC)cc1C ZINC000225301597 570563095 /nfs/dbraw/zinc/56/30/95/570563095.db2.gz HTRKSZRKYLYQFZ-UHFFFAOYSA-N 0 0 391.533 4.012 40 0 GIABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000225346457 570565841 /nfs/dbraw/zinc/56/58/41/570565841.db2.gz BOKYKBNCLLPTPF-CQSZACIVSA-N 0 0 379.485 4.490 40 0 GIABRN COc1ccccc1-c1cc(=O)[nH]c(Nc2nc(C)c3cc(C)cc(C)c3n2)n1 ZINC000010157428 570566456 /nfs/dbraw/zinc/56/64/56/570566456.db2.gz KXUDXAOCJLETNA-UHFFFAOYSA-N 0 0 387.443 4.058 40 0 GIABRN CC(C)(C)SCCNC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000225352508 570566521 /nfs/dbraw/zinc/56/65/21/570566521.db2.gz SRULEJMTCJTFBT-UHFFFAOYSA-N 0 0 379.595 4.131 40 0 GIABRN Cc1nc2sc3c(c2c(SCC(=O)N2CCCCC2)n1)CC[C@@H](C)C3 ZINC000001326169 570566721 /nfs/dbraw/zinc/56/67/21/570566721.db2.gz FFWSYVAXZKJYFB-GFCCVEGCSA-N 0 0 375.563 4.229 40 0 GIABRN O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)Nc1ccc(F)cc1 ZINC000001329219 570567433 /nfs/dbraw/zinc/56/74/33/570567433.db2.gz BIXGUXVPQWRLFJ-UHFFFAOYSA-N 0 0 378.432 4.495 40 0 GIABRN CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cc(C)ccc1C ZINC000010305224 570567782 /nfs/dbraw/zinc/56/77/82/570567782.db2.gz ZFGVEAWHTNIHKH-UHFFFAOYSA-N 0 0 386.546 4.298 40 0 GIABRN COc1ccccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000225367934 570568015 /nfs/dbraw/zinc/56/80/15/570568015.db2.gz WOLYIHZNZYHMRL-UHFFFAOYSA-N 0 0 393.314 4.283 40 0 GIABRN Cc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1NS(C)(=O)=O ZINC000010329674 570569227 /nfs/dbraw/zinc/56/92/27/570569227.db2.gz HWVNKTSYUZFEKR-UHFFFAOYSA-N 0 0 396.468 4.411 40 0 GIABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1c(C)cccc1C)S(C)(=O)=O ZINC000010433895 570570125 /nfs/dbraw/zinc/57/01/25/570570125.db2.gz IITRNIUPGMCKOA-OAHLLOKOSA-N 0 0 394.924 4.058 40 0 GIABRN COc1ccc(NC(=S)NCCSCc2ccccc2F)cc1OC ZINC000225412079 570570911 /nfs/dbraw/zinc/57/09/11/570570911.db2.gz VPLIRTFKPHLZGC-UHFFFAOYSA-N 0 0 380.510 4.063 40 0 GIABRN CCc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(C(C)=O)c1 ZINC000001343602 570571836 /nfs/dbraw/zinc/57/18/36/570571836.db2.gz FPUHEIUXYVZBHJ-FQEVSTJZSA-N 0 0 379.460 4.087 40 0 GIABRN O=C(Nc1cccn(Cc2c(F)cccc2Cl)c1=O)NC1CCCCC1 ZINC000001354158 570573709 /nfs/dbraw/zinc/57/37/09/570573709.db2.gz YGNAEKDMWGIHFJ-UHFFFAOYSA-N 0 0 377.847 4.143 40 0 GIABRN Cc1nccn1-c1ccc(CNC(=S)Nc2ccc(OC(C)C)cc2)cc1 ZINC000225458354 570576354 /nfs/dbraw/zinc/57/63/54/570576354.db2.gz BBMAMBUZEOZLSW-UHFFFAOYSA-N 0 0 380.517 4.455 40 0 GIABRN COc1ccc(-c2noc(CN(C)C(=S)Nc3ccc(Cl)cc3)n2)cc1 ZINC000225466358 570577277 /nfs/dbraw/zinc/57/72/77/570577277.db2.gz VOQSRQDCRDWAJN-UHFFFAOYSA-N 0 0 388.880 4.227 40 0 GIABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 ZINC000225470559 570577671 /nfs/dbraw/zinc/57/76/71/570577671.db2.gz UMKTXDLNJSBBGV-LJQANCHMSA-N 0 0 398.572 4.252 40 0 GIABRN COc1ccc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)cc1 ZINC000001364541 570578058 /nfs/dbraw/zinc/57/80/58/570578058.db2.gz YHDROEPANMOYCW-UHFFFAOYSA-N 0 0 379.485 4.187 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000225484250 570578929 /nfs/dbraw/zinc/57/89/29/570578929.db2.gz ONOGUAQYKAHTLA-DENIHFKCSA-N 0 0 380.532 4.260 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000225484288 570579110 /nfs/dbraw/zinc/57/91/10/570579110.db2.gz ONOGUAQYKAHTLA-SIKLNZKXSA-N 0 0 380.532 4.260 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1C(C)C ZINC000225490792 570579398 /nfs/dbraw/zinc/57/93/98/570579398.db2.gz CFFXQRZXRMNVIM-UHFFFAOYSA-N 0 0 391.533 4.393 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225488195 570579437 /nfs/dbraw/zinc/57/94/37/570579437.db2.gz BCLMTVWCZXEPRD-FQEVSTJZSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 ZINC000225491117 570579489 /nfs/dbraw/zinc/57/94/89/570579489.db2.gz ZTFSGLOGJVFZRZ-UTKZUKDTSA-N 0 0 384.495 4.090 40 0 GIABRN CCCn1c2ccccc2nc1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000001370961 570581120 /nfs/dbraw/zinc/58/11/20/570581120.db2.gz AYKWCJNPCPEPLT-UHFFFAOYSA-N 0 0 397.910 4.454 40 0 GIABRN COC(=O)c1cc(NC(=S)N[C@H](C)CCc2ccccc2)ccc1Cl ZINC000225514490 570582200 /nfs/dbraw/zinc/58/22/00/570582200.db2.gz UBKBAURIJYCQTH-CYBMUJFWSA-N 0 0 376.909 4.434 40 0 GIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)COc1ccc(OC)cc1 ZINC000038755442 570582258 /nfs/dbraw/zinc/58/22/58/570582258.db2.gz UIHQJXLEJZPADE-RDTXWAMCSA-N 0 0 377.868 4.090 40 0 GIABRN Cc1ccc(CN(C(=O)CSCc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225516690 570582677 /nfs/dbraw/zinc/58/26/77/570582677.db2.gz KYUMHFMDJRBXIP-IBGZPJMESA-N 0 0 398.572 4.170 40 0 GIABRN Cc1nc(NC(=O)c2cccc(Cl)c2)sc1C(=O)NC1CCCCC1 ZINC000001379114 570582696 /nfs/dbraw/zinc/58/26/96/570582696.db2.gz QRBLCSFOPHGZTG-UHFFFAOYSA-N 0 0 377.897 4.420 40 0 GIABRN O=S(=O)(NCCSCc1ccco1)c1ccc(Oc2ccccc2)cc1 ZINC000038756010 570582818 /nfs/dbraw/zinc/58/28/18/570582818.db2.gz HPLCFHCWRXBQEP-UHFFFAOYSA-N 0 0 389.498 4.284 40 0 GIABRN O=C1CCCN1c1cccc(NC(=S)NCCCc2ccccc2Cl)c1 ZINC000225542257 570586096 /nfs/dbraw/zinc/58/60/96/570586096.db2.gz OTGDAGLZRIQQQL-UHFFFAOYSA-N 0 0 387.936 4.386 40 0 GIABRN O=C(Cc1ccc(Cl)cc1F)Nc1ccccc1C(=O)NCc1ccco1 ZINC000225572955 570589927 /nfs/dbraw/zinc/58/99/27/570589927.db2.gz KVMTYAAWZCLXRL-UHFFFAOYSA-N 0 0 386.810 4.183 40 0 GIABRN CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1C ZINC000225584781 570591419 /nfs/dbraw/zinc/59/14/19/570591419.db2.gz GFCZQYOSGFUKJY-UHFFFAOYSA-N 0 0 383.488 4.479 40 0 GIABRN O=C(NCCSC1CCCCC1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000225583497 570591440 /nfs/dbraw/zinc/59/14/40/570591440.db2.gz RWSUVTOVWMBTBU-SILNSSARSA-N 0 0 398.528 4.233 40 0 GIABRN O=C(NCCCc1ccco1)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225589576 570591746 /nfs/dbraw/zinc/59/17/46/570591746.db2.gz MAJUVHVEOJWFJI-UHFFFAOYSA-N 0 0 378.875 4.033 40 0 GIABRN COC(=O)c1cccc(NC(=S)NCCCSCc2ccccc2)c1C ZINC000225597871 570592332 /nfs/dbraw/zinc/59/23/32/570592332.db2.gz FJRGTQBLHCDBSQ-UHFFFAOYSA-N 0 0 388.558 4.392 40 0 GIABRN COc1cccc([C@H]2c3cc4c(cc3O[C@@](C)(N3CCCC3)[C@@H]2C)OCO4)c1 ZINC000039580065 570594059 /nfs/dbraw/zinc/59/40/59/570594059.db2.gz LUELUYBCCRBFBS-AIYSXCBHSA-N 0 0 381.472 4.396 40 0 GIABRN CSc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1NC(C)=O ZINC000225629901 570596002 /nfs/dbraw/zinc/59/60/02/570596002.db2.gz DYODUMBWNFMTGT-UHFFFAOYSA-N 0 0 378.519 4.093 40 0 GIABRN CC[C@@H](CNC(=S)Nc1cccc(N2CCCC2=O)c1)Cc1ccccc1 ZINC000225633477 570596459 /nfs/dbraw/zinc/59/64/59/570596459.db2.gz HLYDYJBJBKOQTM-QGZVFWFLSA-N 0 0 381.545 4.369 40 0 GIABRN O=c1[nH]c(N2CCCC2)nc2ncn(-c3cc(Cl)cc(Cl)c3)c(=S)c12 ZINC000040385839 570598804 /nfs/dbraw/zinc/59/88/04/570598804.db2.gz LATQIDLJCGDXLR-UHFFFAOYSA-N 0 0 394.287 4.158 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 ZINC000225661601 570599322 /nfs/dbraw/zinc/59/93/22/570599322.db2.gz BSFXYOKSQGCSGV-PGRDOPGGSA-N 0 0 398.522 4.399 40 0 GIABRN COCc1nn2c(ncc3c2ccn(C(C)C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397738 570601435 /nfs/dbraw/zinc/60/14/35/570601435.db2.gz MMXYOUYTEZJWMZ-UHFFFAOYSA-N 0 0 382.851 4.092 40 0 GIABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000225696476 570604976 /nfs/dbraw/zinc/60/49/76/570604976.db2.gz SMOAXUYEZIDFDO-OAQYLSRUSA-N 0 0 381.516 4.325 40 0 GIABRN COc1cccc(CCC(=O)N2CC[C@@H](c3cc(-c4ccc(C)cc4)n[nH]3)C2)c1 ZINC000012088217 570606759 /nfs/dbraw/zinc/60/67/59/570606759.db2.gz IKIXZYAZMXJZMR-HXUWFJFHSA-N 0 0 389.499 4.342 40 0 GIABRN O=C(Nc1ccc(F)cc1)N1CCC(c2ncncc2-c2ccncc2)CC1 ZINC000012088658 570607263 /nfs/dbraw/zinc/60/72/63/570607263.db2.gz DNXMTSYWLWDKLZ-UHFFFAOYSA-N 0 0 377.423 4.089 40 0 GIABRN CC[C@H](NC(=S)Nc1ccc(C)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000225723415 570609265 /nfs/dbraw/zinc/60/92/65/570609265.db2.gz JNBGTECCQIUCTA-KRWDZBQOSA-N 0 0 396.965 4.490 40 0 GIABRN C[C@H](Cc1ccc2c(c1)OCO2)c1nc2cnccn2c1NCc1ccccc1 ZINC000012113898 570609531 /nfs/dbraw/zinc/60/95/31/570609531.db2.gz TVTFYXUUTNIIOJ-MRXNPFEDSA-N 0 0 386.455 4.416 40 0 GIABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000225728613 570609649 /nfs/dbraw/zinc/60/96/49/570609649.db2.gz XPSROZWLYVBHJZ-INIZCTEOSA-N 0 0 378.472 4.098 40 0 GIABRN COc1cc(OC)c(-c2nc3cnccn3c2NCc2cccs2)cc1OC ZINC000012113841 570609678 /nfs/dbraw/zinc/60/96/78/570609678.db2.gz BMNOSOSOOUGVLV-UHFFFAOYSA-N 0 0 396.472 4.096 40 0 GIABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000225726997 570609833 /nfs/dbraw/zinc/60/98/33/570609833.db2.gz JNWRIHCYUUOHAJ-BHMJEEKUSA-N 0 0 380.513 4.132 40 0 GIABRN C[C@@H](NC(=O)[C@H](c1ccccc1)C1CCCC1)c1nc(-c2cccnc2)n[nH]1 ZINC000012114768 570609971 /nfs/dbraw/zinc/60/99/71/570609971.db2.gz PYRZRIURCQKAIK-DNVCBOLYSA-N 0 0 375.476 4.018 40 0 GIABRN COCCn1c(C)cc(C=C2NC(=S)N(c3ccc(C)c(C)c3)C2=O)c1C ZINC000030277625 570611839 /nfs/dbraw/zinc/61/18/39/570611839.db2.gz HZMLDAWENWWNSF-UNOMPAQXSA-N 0 0 383.517 4.042 40 0 GIABRN Cc1ccc(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1 ZINC000225744412 570612344 /nfs/dbraw/zinc/61/23/44/570612344.db2.gz BEKJGDVYJOMXEO-UHFFFAOYSA-N 0 0 376.422 4.214 40 0 GIABRN CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000225744464 570612472 /nfs/dbraw/zinc/61/24/72/570612472.db2.gz ZZLKAPQSFOJKEF-QFIPXVFZSA-N 0 0 390.524 4.002 40 0 GIABRN CCc1cc(C(=O)N2CCC(c3cc4cc(OC)c(C)cc4cn3)CC2)on1 ZINC000012144151 570615389 /nfs/dbraw/zinc/61/53/89/570615389.db2.gz KMEZBTOWJFGULJ-UHFFFAOYSA-N 0 0 379.460 4.122 40 0 GIABRN CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2)nnc1-c1ccccc1OC ZINC000004130218 570616985 /nfs/dbraw/zinc/61/69/85/570616985.db2.gz BIJXIUFGAZFREJ-HNNXBMFYSA-N 0 0 396.516 4.401 40 0 GIABRN COc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(Br)cc1 ZINC000225785545 570617183 /nfs/dbraw/zinc/61/71/83/570617183.db2.gz QECKBOZMIBXVOP-LBPRGKRZSA-N 0 0 395.322 4.212 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@@](C)(CC(C)C)OC)ccc1O[C@H](C)CC ZINC000225793057 570617731 /nfs/dbraw/zinc/61/77/31/570617731.db2.gz YTBYVQWWIMDVOW-QVKFZJNVSA-N 0 0 379.497 4.430 40 0 GIABRN O=C(Nc1ccc(Br)cc1F)c1snnc1-c1cccs1 ZINC000225788658 570617789 /nfs/dbraw/zinc/61/77/89/570617789.db2.gz CFRNILHSXHLSDL-UHFFFAOYSA-N 0 0 384.255 4.421 40 0 GIABRN CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)C(C)C ZINC000225796113 570618207 /nfs/dbraw/zinc/61/82/07/570618207.db2.gz GDZDFZPDJZCCEP-UHFFFAOYSA-N 0 0 398.937 4.457 40 0 GIABRN COc1ccc(Cl)cc1NC(=O)CCc1nc(-c2cccc(F)c2)no1 ZINC000225800331 570618440 /nfs/dbraw/zinc/61/84/40/570618440.db2.gz BVXMNXVYFHMZHC-UHFFFAOYSA-N 0 0 375.787 4.109 40 0 GIABRN COc1ccc(CCNC(=O)CSCc2ccc(Cl)cc2F)cc1OC ZINC000225801154 570618557 /nfs/dbraw/zinc/61/85/57/570618557.db2.gz PNUDHUZXGQAZLF-UHFFFAOYSA-N 0 0 397.899 4.088 40 0 GIABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(OC)CCCCCC2)cc1C(=O)OC ZINC000225806185 570619494 /nfs/dbraw/zinc/61/94/94/570619494.db2.gz TZIAFMOLXIDOTE-OAHLLOKOSA-N 0 0 377.481 4.328 40 0 GIABRN CCc1ccc(CC)c(CNC(=O)COc2ccc(Br)cc2)c1 ZINC000225810325 570620208 /nfs/dbraw/zinc/62/02/08/570620208.db2.gz RKUUHFVPNLCREW-UHFFFAOYSA-N 0 0 376.294 4.269 40 0 GIABRN COc1ccc2cc(S(=O)(=O)N[C@@H]3CCCc4cc(OC)ccc43)ccc2c1 ZINC000225814068 570620783 /nfs/dbraw/zinc/62/07/83/570620783.db2.gz CGGKDCXPUFZDJI-JOCHJYFZSA-N 0 0 397.496 4.213 40 0 GIABRN Cc1cc2nc(C3CCN(C(=O)c4cccs4)CC3)cc(C(F)(F)F)n2n1 ZINC000012186709 570621449 /nfs/dbraw/zinc/62/14/49/570621449.db2.gz BKMJTNWINSPQBF-UHFFFAOYSA-N 0 0 394.422 4.138 40 0 GIABRN Fc1ccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)c(F)c1 ZINC000225820741 570621532 /nfs/dbraw/zinc/62/15/32/570621532.db2.gz FQOHJBQKHQRUEJ-UHFFFAOYSA-N 0 0 380.807 4.155 40 0 GIABRN CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)cc1C(=O)OCC ZINC000225818821 570621555 /nfs/dbraw/zinc/62/15/55/570621555.db2.gz QRSFSYYZLPGWPP-NRFANRHFSA-N 0 0 379.497 4.432 40 0 GIABRN COc1ccccc1C[C@@H](C)NC(=O)Cc1c(C)oc2c1C(=O)CC(C)(C)C2 ZINC000012196879 570623033 /nfs/dbraw/zinc/62/30/33/570623033.db2.gz UGDZOQCFKZJUGF-CQSZACIVSA-N 0 0 383.488 4.042 40 0 GIABRN COc1ccccc1C[C@H](C)NC(=O)Cc1c(C)oc2c1C(=O)CC(C)(C)C2 ZINC000012196888 570623084 /nfs/dbraw/zinc/62/30/84/570623084.db2.gz UGDZOQCFKZJUGF-AWEZNQCLSA-N 0 0 383.488 4.042 40 0 GIABRN CCO[C@@]1(C(=O)Nc2ccc(OC(C)C)c(C(=O)OC)c2)CCC[C@@H](C)C1 ZINC000225831413 570623334 /nfs/dbraw/zinc/62/33/34/570623334.db2.gz SEBNQZKMUFLESD-VFNWGFHPSA-N 0 0 377.481 4.184 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)ccc1OCC ZINC000225831770 570623366 /nfs/dbraw/zinc/62/33/66/570623366.db2.gz OURVWLJIQVOXNN-YCRPNKLZSA-N 0 0 377.481 4.186 40 0 GIABRN Fc1ccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)cc1F ZINC000225833320 570623996 /nfs/dbraw/zinc/62/39/96/570623996.db2.gz DWQPOLHEFRJNCX-UHFFFAOYSA-N 0 0 380.807 4.155 40 0 GIABRN CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 ZINC000225840379 570624240 /nfs/dbraw/zinc/62/42/40/570624240.db2.gz TZWJEUGQFAKZPS-NRFANRHFSA-N 0 0 379.497 4.430 40 0 GIABRN CCCO[C@@](C)(C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1)C1CC1 ZINC000225857730 570627440 /nfs/dbraw/zinc/62/74/40/570627440.db2.gz ADZABURSWWWRMJ-OAQYLSRUSA-N 0 0 377.481 4.042 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)NC2(c3cccnc3)CCCC2)c1 ZINC000225861928 570627865 /nfs/dbraw/zinc/62/78/65/570627865.db2.gz JZAGOEKLLIKSPU-UHFFFAOYSA-N 0 0 389.908 4.278 40 0 GIABRN COc1ccc(F)cc1-c1ccccc1CC1(C(=O)N2CCCC2)CCOCC1 ZINC000012231497 570628995 /nfs/dbraw/zinc/62/89/95/570628995.db2.gz ZFLHYFIGWGZGAL-UHFFFAOYSA-N 0 0 397.490 4.463 40 0 GIABRN COc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c2cccnc12 ZINC000225874544 570629559 /nfs/dbraw/zinc/62/95/59/570629559.db2.gz XWLOGQYEIKHRDV-UHFFFAOYSA-N 0 0 380.419 4.069 40 0 GIABRN Cc1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)cs1 ZINC000012254269 570630951 /nfs/dbraw/zinc/63/09/51/570630951.db2.gz CTFZZCAKDVUVPY-SFHVURJKSA-N 0 0 378.501 4.352 40 0 GIABRN CC(C)NC(=S)Nc1nc(Oc2ccccc2)cc(N2CCC(C)CC2)n1 ZINC000225888749 570630978 /nfs/dbraw/zinc/63/09/78/570630978.db2.gz XFWYSEKXIHZBBJ-UHFFFAOYSA-N 0 0 385.537 4.200 40 0 GIABRN COc1ccc(CN(C)C(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)cc1 ZINC000225914187 570633095 /nfs/dbraw/zinc/63/30/95/570633095.db2.gz MSTUSJCFUWNKND-UHFFFAOYSA-N 0 0 376.460 4.118 40 0 GIABRN Cn1ncc2c1CCc1sc(NC(=O)Cc3ccc(Cl)cc3Cl)nc1-2 ZINC000012291887 570633287 /nfs/dbraw/zinc/63/32/87/570633287.db2.gz NGUXMYMJRNNLKC-UHFFFAOYSA-N 0 0 393.299 4.130 40 0 GIABRN CC(=O)Nc1ccc(NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)cc1 ZINC000225918056 570633397 /nfs/dbraw/zinc/63/33/97/570633397.db2.gz WIOPQQIGMKWBEQ-UHFFFAOYSA-N 0 0 375.432 4.048 40 0 GIABRN Cc1nc2ccc(NC(=O)C3CCCCC3)cc2c(=O)n1Cc1ccccc1 ZINC000004847946 570634493 /nfs/dbraw/zinc/63/44/93/570634493.db2.gz VNHZLZWICVLLOQ-UHFFFAOYSA-N 0 0 375.472 4.272 40 0 GIABRN CCOc1ccc2nc3sc(C(=O)Nc4nc(C)cs4)c(N)c3cc2c1 ZINC000004848825 570634703 /nfs/dbraw/zinc/63/47/03/570634703.db2.gz BOSSEVKWEYGRHN-UHFFFAOYSA-N 0 0 384.486 4.448 40 0 GIABRN COc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000044842917 570634969 /nfs/dbraw/zinc/63/49/69/570634969.db2.gz BNRDWTVRYOXMIW-KGLIPLIRSA-N 0 0 375.490 4.070 40 0 GIABRN Cc1ccc(CNC(=S)Nc2nc(C)cc(N3Cc4ccccc4C3)n2)cc1 ZINC000225946109 570635517 /nfs/dbraw/zinc/63/55/17/570635517.db2.gz PCCZRCZXEMYAMX-UHFFFAOYSA-N 0 0 389.528 4.100 40 0 GIABRN CC(C)(C)c1nc2ccccc2c2nnc(SCC(=O)NC3CCCCC3)n21 ZINC000004898225 570637453 /nfs/dbraw/zinc/63/74/53/570637453.db2.gz XOAOLAIQGDATRC-UHFFFAOYSA-N 0 0 397.548 4.116 40 0 GIABRN C[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)C1 ZINC000044880397 570637937 /nfs/dbraw/zinc/63/79/37/570637937.db2.gz JONJOYUCLGNNDL-AWEZNQCLSA-N 0 0 392.908 4.013 40 0 GIABRN COc1ccc(-n2cccc2CNC(=O)c2ccc3oc(Cl)nc3c2)cc1 ZINC000225985158 570638093 /nfs/dbraw/zinc/63/80/93/570638093.db2.gz HUGRECQHRAHILX-UHFFFAOYSA-N 0 0 381.819 4.211 40 0 GIABRN Cc1cccc(NC(=S)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1C ZINC000004857700 570638814 /nfs/dbraw/zinc/63/88/14/570638814.db2.gz YAXYPODJGCOOBN-UHFFFAOYSA-N 0 0 385.508 4.034 40 0 GIABRN Cc1nccn1-c1ccc(CNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 ZINC000044886634 570638964 /nfs/dbraw/zinc/63/89/64/570638964.db2.gz ICLCUZLGCVCCDG-UHFFFAOYSA-N 0 0 377.488 4.173 40 0 GIABRN Cc1ccc(-c2nnc(CN(C)S(=O)(=O)c3ccc4ccccc4c3)o2)cc1 ZINC000031606920 570639619 /nfs/dbraw/zinc/63/96/19/570639619.db2.gz BTKOCRLIRCSJDN-UHFFFAOYSA-N 0 0 393.468 4.019 40 0 GIABRN CC[C@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1[C@@H](C)c1ccccc1 ZINC000004860777 570640616 /nfs/dbraw/zinc/64/06/16/570640616.db2.gz ZXCXRRKHGAYQDH-GJZGRUSLSA-N 0 0 398.532 4.463 40 0 GIABRN Cc1nccn1Cc1ccc(C(=O)NCCCc2cccc(OC(C)C)c2)cc1 ZINC000044916262 570642765 /nfs/dbraw/zinc/64/27/65/570642765.db2.gz YRSWGJAWLSIXCQ-UHFFFAOYSA-N 0 0 391.515 4.390 40 0 GIABRN CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000033534991 570645701 /nfs/dbraw/zinc/64/57/01/570645701.db2.gz GEAUNAMSKJRFNB-MRXNPFEDSA-N 0 0 380.517 4.390 40 0 GIABRN CC(C)Cc1c(=O)[nH]c(SCC(=O)Nc2ccc(Cl)cc2)nc1C(C)C ZINC000004902834 570646880 /nfs/dbraw/zinc/64/68/80/570646880.db2.gz JLDSEZGYUXLLGY-UHFFFAOYSA-N 0 0 393.940 4.476 40 0 GIABRN Fc1ccc(-c2cc3nc4c(c(NCCCn5ccnc5)n3n2)CCCC4)cc1 ZINC000004902571 570646951 /nfs/dbraw/zinc/64/69/51/570646951.db2.gz SRGTXNGSDYTZDF-UHFFFAOYSA-N 0 0 390.466 4.113 40 0 GIABRN CCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@@H]1c1cc(OC)ccc1OC ZINC000004909693 570648425 /nfs/dbraw/zinc/64/84/25/570648425.db2.gz VXNWHIBPLFNOKD-QFIPXVFZSA-N 0 0 391.471 4.358 40 0 GIABRN COc1cc([C@@H]2NC(=O)c3ccccc3O2)ccc1OCc1ccc(F)cc1 ZINC000004997907 570650660 /nfs/dbraw/zinc/65/06/60/570650660.db2.gz LFTCWBOJTWCYTL-JOCHJYFZSA-N 0 0 379.387 4.234 40 0 GIABRN COc1ccccc1C(=O)Nc1cc(C)cn(Cc2ccc(Cl)cc2)c1=O ZINC000005000890 570651495 /nfs/dbraw/zinc/65/14/95/570651495.db2.gz DDEJDLJBNWWRCJ-UHFFFAOYSA-N 0 0 382.847 4.119 40 0 GIABRN CCn1c(SC)nnc1[C@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000005001550 570651740 /nfs/dbraw/zinc/65/17/40/570651740.db2.gz VQXNOPFUJDQHKG-LBPRGKRZSA-N 0 0 398.454 4.059 40 0 GIABRN O=C(Oc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1)c1ccccc1 ZINC000059195209 570651754 /nfs/dbraw/zinc/65/17/54/570651754.db2.gz YHKCEFGGXYUMIH-MOSHPQCFSA-N 0 0 387.366 4.389 40 0 GIABRN CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(CC(=O)OC(C)(C)C)C1=O ZINC000005007737 570652970 /nfs/dbraw/zinc/65/29/70/570652970.db2.gz HBUVJZZHJUEIKF-ZROIWOOFSA-N 0 0 397.880 4.117 40 0 GIABRN CC(C)(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O ZINC000005007337 570653016 /nfs/dbraw/zinc/65/30/16/570653016.db2.gz KUQIVMXIOQUIOW-KPKJPENVSA-N 0 0 388.272 4.371 40 0 GIABRN CCN(CC)C(=O)CSc1nnc2scc(-c3ccc(Cl)cc3)n12 ZINC000004967220 570654257 /nfs/dbraw/zinc/65/42/57/570654257.db2.gz ARFYBIBMNLFCII-UHFFFAOYSA-N 0 0 380.926 4.072 40 0 GIABRN COc1ccc(NC(=O)N2CCCN(c3nc4ccccc4s3)CC2)cc1 ZINC000004970528 570655017 /nfs/dbraw/zinc/65/50/17/570655017.db2.gz RTWHUVIQPZWUQS-UHFFFAOYSA-N 0 0 382.489 4.049 40 0 GIABRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000059418674 570656438 /nfs/dbraw/zinc/65/64/38/570656438.db2.gz CDUFUDYNTJFZSK-ZRDDSIGQSA-N 0 0 385.850 4.434 40 0 GIABRN COc1ccc(NC(=O)CSc2ncnc3sc(C)cc32)cc1Cl ZINC000005017215 570657345 /nfs/dbraw/zinc/65/73/45/570657345.db2.gz GEMLWIJLDBAKGJ-UHFFFAOYSA-N 0 0 379.894 4.393 40 0 GIABRN Cc1ccc2ccccc2c1NC(=O)CSc1n[nH]c(-c2ccccc2O)n1 ZINC000005519673 570663737 /nfs/dbraw/zinc/66/37/37/570663737.db2.gz ZAITYHQXAVGEEC-UHFFFAOYSA-N 0 0 390.468 4.370 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@H]3c2ccc(O)cc2)cc1 ZINC000006679322 570673573 /nfs/dbraw/zinc/67/35/73/570673573.db2.gz MDBLWYKAVCXRSF-YJYMSZOUSA-N 0 0 395.484 4.058 40 0 GIABRN Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)cs2)c1 ZINC000006680686 570674291 /nfs/dbraw/zinc/67/42/91/570674291.db2.gz AQASOAHQIKIAIU-UHFFFAOYSA-N 0 0 392.546 4.038 40 0 GIABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Cl)c(O)c(OC)c3)S2)cc1 ZINC000408776456 570682235 /nfs/dbraw/zinc/68/22/35/570682235.db2.gz OWDIXJLSBBZXHV-NXIIHZOPSA-N 0 0 390.892 4.216 40 0 GIABRN CC(C)COc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000408932622 570687369 /nfs/dbraw/zinc/68/73/69/570687369.db2.gz YIDYZOWERXBWJP-ODLFYWEKSA-N 0 0 384.863 4.468 40 0 GIABRN CCOC(=O)C1=C(C)N=C2SC=C(CC)N2[C@@H]1c1ccc(OC)cc1OC ZINC000408990862 570689805 /nfs/dbraw/zinc/68/98/05/570689805.db2.gz OPFSPNJMGDEXKA-GOSISDBHSA-N 0 0 388.489 4.252 40 0 GIABRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC)c3ccccc23)C1=O ZINC000409010355 570693191 /nfs/dbraw/zinc/69/31/91/570693191.db2.gz CIAWGARKICYJTM-RNEAKCBISA-N 0 0 399.468 4.226 40 0 GIABRN Cc1cc(C(C)(C)C)oc1C(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1 ZINC000012669136 570697234 /nfs/dbraw/zinc/69/72/34/570697234.db2.gz ASHWIGQKVDTWAR-UHFFFAOYSA-N 0 0 394.475 4.350 40 0 GIABRN COc1ccc2[nH]cc([C@@H]3CCC[C@H](NC(=O)CCn4nc(C)cc4C)C3)c2c1 ZINC000012671094 570697253 /nfs/dbraw/zinc/69/72/53/570697253.db2.gz XLGKCRWKHAXARD-MSOLQXFVSA-N 0 0 394.519 4.223 40 0 GIABRN CCCn1c(Cc2ccccc2)nnc1SCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000409103488 570698574 /nfs/dbraw/zinc/69/85/74/570698574.db2.gz HFIPHELGJVTLNL-IRXDYDNUSA-N 0 0 386.565 4.161 40 0 GIABRN CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc(Cl)c1O ZINC000260784042 570705133 /nfs/dbraw/zinc/70/51/33/570705133.db2.gz URJXNLZKVXVIKL-SSKCKEOISA-N 0 0 389.908 4.429 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3C[C@H]3CCCO3)N21 ZINC000260788404 570705627 /nfs/dbraw/zinc/70/56/27/570705627.db2.gz ZTTHKDXAEIIQQI-XNFNUYLZSA-N 0 0 382.533 4.042 40 0 GIABRN COC(=O)c1cccc(NC(=O)c2sc3nc4cc(C)ccc4cc3c2N)c1 ZINC000000898940 570723292 /nfs/dbraw/zinc/72/32/92/570723292.db2.gz BLUUWYMYOWVYBA-UHFFFAOYSA-N 0 0 391.452 4.379 40 0 GIABRN COC(=O)c1ccc2nc(NC(=O)c3ccc(Br)cc3)sc2c1 ZINC000003196437 570724226 /nfs/dbraw/zinc/72/42/26/570724226.db2.gz QPPZUNJKUCSQDQ-UHFFFAOYSA-N 0 0 391.246 4.098 40 0 GIABRN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000003468330 570725433 /nfs/dbraw/zinc/72/54/33/570725433.db2.gz DCLDFCWIPKMQBF-UHFFFAOYSA-N 0 0 396.491 4.178 40 0 GIABRN CCn1c2ccccc2nc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000004289596 570727338 /nfs/dbraw/zinc/72/73/38/570727338.db2.gz CBPJGFOKCPDRMI-UHFFFAOYSA-N 0 0 375.881 4.449 40 0 GIABRN O=C(Nc1ccc(F)cc1F)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000005184635 570731270 /nfs/dbraw/zinc/73/12/70/570731270.db2.gz ARGWBRXCUDPASR-UHFFFAOYSA-N 0 0 388.395 4.018 40 0 GIABRN COc1ccc(CC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OC ZINC000005527295 570733530 /nfs/dbraw/zinc/73/35/30/570733530.db2.gz WOOORLHINMAHQN-UHFFFAOYSA-N 0 0 375.468 4.475 40 0 GIABRN CC(C)(C)CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000058644888 570735162 /nfs/dbraw/zinc/73/51/62/570735162.db2.gz OFWLAOKRKRIDAF-UHFFFAOYSA-N 0 0 388.533 4.432 40 0 GIABRN COc1ccc(-c2nc(SCC(=O)Nc3cccc4ccccc43)n[nH]2)cc1 ZINC000006141945 570738197 /nfs/dbraw/zinc/73/81/97/570738197.db2.gz VPEBDWABJICFFC-UHFFFAOYSA-N 0 0 390.468 4.364 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000006270444 570740285 /nfs/dbraw/zinc/74/02/85/570740285.db2.gz HRYKWMWKNJUJID-UHFFFAOYSA-N 0 0 386.860 4.393 40 0 GIABRN CC(=O)Nc1ccc(-c2n(O)c(-c3ccccc3)c(-c3ccccc3)[n+]2[O-])cc1 ZINC000006262450 570740351 /nfs/dbraw/zinc/74/03/51/570740351.db2.gz OVELULBRQNFGJF-UHFFFAOYSA-N 0 0 385.423 4.318 40 0 GIABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)C(C)C)c(OC)c1 ZINC000006357764 570741267 /nfs/dbraw/zinc/74/12/67/570741267.db2.gz DBICMAUZUMBJMA-UHFFFAOYSA-N 0 0 376.840 4.204 40 0 GIABRN CCCOc1ccc(N2C[C@@H](C(=O)Nc3c(C)cccc3CC)CC2=O)cc1 ZINC000006880977 570752529 /nfs/dbraw/zinc/75/25/29/570752529.db2.gz WEARYXBQSMXTGS-SFHVURJKSA-N 0 0 380.488 4.338 40 0 GIABRN O=C(N[C@@H]1CCCc2ccccc21)c1ccccc1I ZINC000006890491 570753198 /nfs/dbraw/zinc/75/31/98/570753198.db2.gz UZOGRNMXNAUMCV-MRXNPFEDSA-N 0 0 377.225 4.099 40 0 GIABRN S=c1[nH]nc(-c2ccncc2)n1NCc1ccccc1OCc1ccccc1 ZINC000007601796 570760785 /nfs/dbraw/zinc/76/07/85/570760785.db2.gz IBMWQFORQWNBID-UHFFFAOYSA-N 0 0 389.484 4.325 40 0 GIABRN COc1cccc(CNn2c(C)n[nH]c2=S)c1OCc1ccccc1Cl ZINC000007602675 570761270 /nfs/dbraw/zinc/76/12/70/570761270.db2.gz BQMMVMBXFYSURM-UHFFFAOYSA-N 0 0 390.896 4.234 40 0 GIABRN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1 ZINC000007655509 570761784 /nfs/dbraw/zinc/76/17/84/570761784.db2.gz OBANIEXNQOFJDW-UHFFFAOYSA-N 0 0 393.827 4.269 40 0 GIABRN CCc1nn2c(nnc(C(=O)Nc3ccccc3)c2C)c1-c1ccc(F)cc1 ZINC000013610796 570762469 /nfs/dbraw/zinc/76/24/69/570762469.db2.gz JBPXRHGNDQBWSB-UHFFFAOYSA-N 0 0 375.407 4.054 40 0 GIABRN Cc1ccc(N2C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)c(C)c1 ZINC000007928081 570763269 /nfs/dbraw/zinc/76/32/69/570763269.db2.gz JHQMGMYKVYTNAY-CQSZACIVSA-N 0 0 376.378 4.314 40 0 GIABRN Cc1ccc(C(=O)NC(=S)Nc2c3nsnc3ccc2Cl)c(Cl)c1 ZINC000008072150 570764473 /nfs/dbraw/zinc/76/44/73/570764473.db2.gz ZQGDGGQAWMCIRD-UHFFFAOYSA-N 0 0 397.312 4.433 40 0 GIABRN Cc1cc(C)c(NC(=O)CSc2nnc(COc3ccccc3)n2C)c(C)c1 ZINC000008333431 570767705 /nfs/dbraw/zinc/76/77/05/570767705.db2.gz JDBYLTKBDAUPSN-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN O=C(COc1ccc(Cl)cc1Cl)NCCc1c[nH]c2ccc(F)cc12 ZINC000008560228 570771305 /nfs/dbraw/zinc/77/13/05/570771305.db2.gz JBQWZZSJMQRQKN-UHFFFAOYSA-N 0 0 381.234 4.352 40 0 GIABRN COc1c(C)cccc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000008570694 570771721 /nfs/dbraw/zinc/77/17/21/570771721.db2.gz CBPFGLFAGALSSB-UHFFFAOYSA-N 0 0 386.407 4.057 40 0 GIABRN O=C(Cc1ccccc1)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 ZINC000008902746 570773513 /nfs/dbraw/zinc/77/35/13/570773513.db2.gz NNWFEMRCNLZJGZ-UHFFFAOYSA-N 0 0 377.425 4.323 40 0 GIABRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(C)c(Cl)c1 ZINC000010119829 570784117 /nfs/dbraw/zinc/78/41/17/570784117.db2.gz SJMRFHAKPJVBJN-UHFFFAOYSA-N 0 0 399.863 4.076 40 0 GIABRN Cc1cc(C(=O)Nc2ccccc2Oc2ccccc2)ccc1NS(C)(=O)=O ZINC000010315140 570788294 /nfs/dbraw/zinc/78/82/94/570788294.db2.gz JISGVNLZEVXBKX-UHFFFAOYSA-N 0 0 396.468 4.411 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3F)c2)cc1 ZINC000010315164 570788299 /nfs/dbraw/zinc/78/82/99/570788299.db2.gz YSNHKMXKWLHSNE-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN O=C(CSc1nc(C2CC2)nc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000010940388 570793501 /nfs/dbraw/zinc/79/35/01/570793501.db2.gz VVCFVYIZCIAUGA-UHFFFAOYSA-N 0 0 378.453 4.253 40 0 GIABRN COc1ccc([C@@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccc(F)cc2)cc1 ZINC000011116950 570794503 /nfs/dbraw/zinc/79/45/03/570794503.db2.gz ONIOOIFYQOKSMF-VQTJNVASSA-N 0 0 397.475 4.342 40 0 GIABRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 ZINC000195529256 570843064 /nfs/dbraw/zinc/84/30/64/570843064.db2.gz PXNNOTNHODLLFS-IXYLLJBSSA-N 0 0 381.495 4.112 40 0 GIABRN CC[C@@H]1CN(Cc2ccccc2)Cc2cc3c(OC)ccc(OC)c3nc2O1 ZINC000013563877 570852429 /nfs/dbraw/zinc/85/24/29/570852429.db2.gz OSIKTAUNNDFXKF-GOSISDBHSA-N 0 0 378.472 4.425 40 0 GIABRN O=c1c2c3c(c[nH]c-2nn1-c1cccc(Cl)c1)C(=O)C[C@@H](c1cccs1)C3 ZINC000013639598 570862651 /nfs/dbraw/zinc/86/26/51/570862651.db2.gz KOGOYNITIKPMMV-NSHDSACASA-N 0 0 395.871 4.341 40 0 GIABRN CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccccc1 ZINC000014067622 570876969 /nfs/dbraw/zinc/87/69/69/570876969.db2.gz NHZQIEQLMDYPLK-UHFFFAOYSA-N 0 0 395.513 4.306 40 0 GIABRN COc1ccccc1[C@H]1Cc2c(cnn2-c2nc3ccccc3s2)C(=O)C1 ZINC000014164295 570878819 /nfs/dbraw/zinc/87/88/19/570878819.db2.gz YJFWDRWMVYRBCV-ZDUSSCGKSA-N 0 0 375.453 4.403 40 0 GIABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(C)c(C)c1 ZINC000014291322 570881520 /nfs/dbraw/zinc/88/15/20/570881520.db2.gz YZBUBSYTLQXGTD-UHFFFAOYSA-N 0 0 393.472 4.039 40 0 GIABRN CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)CC2CCCCC2)c2ccccn2)CC1 ZINC000257205337 570887729 /nfs/dbraw/zinc/88/77/29/570887729.db2.gz AYOYDJFIOIRELM-JTAQYXEDSA-N 0 0 385.552 4.152 40 0 GIABRN COc1ccc(-c2cc(C(=O)N(C)C3CCCCC3)c3cnn(C)c3n2)cc1 ZINC000036616665 570888003 /nfs/dbraw/zinc/88/80/03/570888003.db2.gz HMAWVVUSBSDJSN-UHFFFAOYSA-N 0 0 378.476 4.049 40 0 GIABRN CCOc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)ccc1O ZINC000137849823 570903416 /nfs/dbraw/zinc/90/34/16/570903416.db2.gz DTEURNFLCFXMBC-JUQVYJSESA-N 0 0 375.515 4.193 40 0 GIABRN Cc1cccc(C)c1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000015396842 570905449 /nfs/dbraw/zinc/90/54/49/570905449.db2.gz OLKHQPCVUQSFNV-UHFFFAOYSA-N 0 0 394.496 4.137 40 0 GIABRN Cc1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000015398063 570905509 /nfs/dbraw/zinc/90/55/09/570905509.db2.gz LMWYNOBJJKDTSI-UHFFFAOYSA-N 0 0 394.496 4.137 40 0 GIABRN Cc1ccc(C(=O)CCC(=O)Nc2ccc(I)cc2)cc1 ZINC000015501964 570906630 /nfs/dbraw/zinc/90/66/30/570906630.db2.gz KUNZLLFYTMGNKX-UHFFFAOYSA-N 0 0 393.224 4.201 40 0 GIABRN COc1ccccc1NC(=O)CSCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000028184028 570907662 /nfs/dbraw/zinc/90/76/62/570907662.db2.gz VVUHVOULUKGFHW-UHFFFAOYSA-N 0 0 399.299 4.312 40 0 GIABRN Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)C3CCCCC3)CC2)on1 ZINC000257322826 570907779 /nfs/dbraw/zinc/90/77/79/570907779.db2.gz WHOCIPDMXUKCAF-QAQDUYKDSA-N 0 0 384.524 4.354 40 0 GIABRN CCc1ccccc1Nc1noc2c1CN(C(=O)[C@H]1CC[C@H](OC)CC1)CC2 ZINC000257331557 570909386 /nfs/dbraw/zinc/90/93/86/570909386.db2.gz XTITWWFCFCKTSN-QAQDUYKDSA-N 0 0 383.492 4.071 40 0 GIABRN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(I)cn1 ZINC000016430022 570913291 /nfs/dbraw/zinc/91/32/91/570913291.db2.gz ATAQNARZOIMGST-UHFFFAOYSA-N 0 0 396.272 4.231 40 0 GIABRN CCCOc1ccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc1 ZINC000017077789 570916956 /nfs/dbraw/zinc/91/69/56/570916956.db2.gz ZEBWBZOKXXVGOL-UHFFFAOYSA-N 0 0 380.469 4.461 40 0 GIABRN Cc1ncc(CN2CC[C@@]23CCCN(C(=O)C2(c4ccc(C)cc4)CC2)C3)s1 ZINC000585102059 570927948 /nfs/dbraw/zinc/92/79/48/570927948.db2.gz OZWSRGWKJGTAFO-JOCHJYFZSA-N 0 0 395.572 4.059 40 0 GIABRN Cc1noc(C)c1CN1CC[C@]12CCCN(C(=O)c1ccc3ccccc3c1)C2 ZINC000585102276 570930584 /nfs/dbraw/zinc/93/05/84/570930584.db2.gz WASCXWRRCZLYOJ-DEOSSOPVSA-N 0 0 389.499 4.325 40 0 GIABRN O=C(c1cccc(F)c1)N1CCC2(CCCN(Cc3cccc(F)c3)C2=O)CC1 ZINC000585102535 570930926 /nfs/dbraw/zinc/93/09/26/570930926.db2.gz HNVKKQVFTRAPLE-UHFFFAOYSA-N 0 0 398.453 4.010 40 0 GIABRN CC(C)(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3ncnc4ccsc43)C[C@@H]21 ZINC000585109484 570941532 /nfs/dbraw/zinc/94/15/32/570941532.db2.gz SZUUKQQWCZZPBV-XYJFISCASA-N 0 0 392.528 4.128 40 0 GIABRN COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)o1 ZINC000000849771 570946690 /nfs/dbraw/zinc/94/66/90/570946690.db2.gz LFXHITPWXXFXHG-UHFFFAOYSA-N 0 0 375.837 4.129 40 0 GIABRN CCOC(=O)c1cn(Cc2cccc(F)c2)c2ccc(C(F)(F)F)cc2c1=O ZINC000199732494 570951521 /nfs/dbraw/zinc/95/15/21/570951521.db2.gz SYZFEDGGNGGLDJ-UHFFFAOYSA-N 0 0 393.336 4.384 40 0 GIABRN Cc1ccc(-c2ccc(OCC(=O)Nc3nnc([C@@H]4CCCO4)s3)cc2)cc1 ZINC000004749948 570961704 /nfs/dbraw/zinc/96/17/04/570961704.db2.gz PNCZAHAIABKDJX-SFHVURJKSA-N 0 0 395.484 4.383 40 0 GIABRN CC1=C(C(=O)O[C@H]2CC[C@@H](C)[C@@H](C)C2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 ZINC000004066380 570966114 /nfs/dbraw/zinc/96/61/14/570966114.db2.gz SHEGXKQQQJYNOU-CWRJPMGBSA-N 0 0 376.884 4.336 40 0 GIABRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)CSC(=O)c1ccccc1 ZINC000004143749 570967005 /nfs/dbraw/zinc/96/70/05/570967005.db2.gz ZAIHFUDRYXAKFW-RYQLBKOJSA-N 0 0 392.517 4.107 40 0 GIABRN COc1ccc2oc(C(=O)OCC(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(C)c2c1 ZINC000004319239 570972134 /nfs/dbraw/zinc/97/21/34/570972134.db2.gz KSDACPVMWHYUGT-WNSKOXEYSA-N 0 0 399.487 4.334 40 0 GIABRN O=C(Cc1ccccc1)N1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000243034541 570986207 /nfs/dbraw/zinc/98/62/07/570986207.db2.gz ICAKKWWFULODBG-UHFFFAOYSA-N 0 0 391.298 4.413 40 0 GIABRN COc1cccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3C)CC2)c1 ZINC000243764258 570987929 /nfs/dbraw/zinc/98/79/29/570987929.db2.gz QDMNZWGLNAQZTC-UHFFFAOYSA-N 0 0 386.879 4.148 40 0 GIABRN Cc1c(Br)c(N)c(Br)cc1NC(=O)c1cccs1 ZINC000008702077 570990927 /nfs/dbraw/zinc/99/09/27/570990927.db2.gz DEHPWBSKJTZPDB-UHFFFAOYSA-N 0 0 390.100 4.416 40 0 GIABRN Cc1c(/C=C2/C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cnn1C ZINC000118916047 570993774 /nfs/dbraw/zinc/99/37/74/570993774.db2.gz FDNKFHFLLFZZSM-WTXKDBHASA-N 0 0 398.591 4.486 40 0 GIABRN COc1cccc(C(=O)NCc2cccc(-c3nn(C)cc3-c3ccncc3)c2)c1 ZINC000585166195 570994818 /nfs/dbraw/zinc/99/48/18/570994818.db2.gz XIEDVECVTCUZPL-UHFFFAOYSA-N 0 0 398.466 4.088 40 0 GIABRN C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000004890225 571002689 /nfs/dbraw/zinc/00/26/89/571002689.db2.gz MIBIKXUYGWYOPH-HRCADAONSA-N 0 0 384.549 4.415 40 0 GIABRN Cc1cccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccccc3)C2=O)c1 ZINC000004899050 571004627 /nfs/dbraw/zinc/00/46/27/571004627.db2.gz MIIQIGDVJVVLPG-VSKRKVRLSA-N 0 0 384.435 4.046 40 0 GIABRN O=C(c1ccccc1)c1ccc2nc(N3CCc4ccccc43)c3nncn3c2c1 ZINC000004885810 571004890 /nfs/dbraw/zinc/00/48/90/571004890.db2.gz MMTDHKXKGYOJQF-UHFFFAOYSA-N 0 0 391.434 4.203 40 0 GIABRN Cc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4n3C)C2)nc2ccccc12 ZINC000019716849 571039239 /nfs/dbraw/zinc/03/92/39/571039239.db2.gz RENNBZDYWKPOBX-KRWDZBQOSA-N 0 0 384.483 4.450 40 0 GIABRN COc1cccc([C@H]2CCCN2C(=O)c2cnn3c2nccc3-c2ccccc2)c1 ZINC000019717286 571039431 /nfs/dbraw/zinc/03/94/31/571039431.db2.gz OSQSTUAQAIFZQW-OAQYLSRUSA-N 0 0 398.466 4.382 40 0 GIABRN CCOc1cccc2sc(NC(=O)c3cccc(CN4CCCC4=O)c3)nc21 ZINC000019717230 571039555 /nfs/dbraw/zinc/03/95/55/571039555.db2.gz LWIWEWAIHMRVGB-UHFFFAOYSA-N 0 0 395.484 4.070 40 0 GIABRN O=C(Nc1nc2c3ccccc3nc(-c3ccccc3)n2n1)c1ccc(F)cc1 ZINC000003027571 817412257 /nfs/dbraw/zinc/41/22/57/817412257.db2.gz ODXHQLHPFJMIMM-UHFFFAOYSA-N 0 0 383.386 4.336 40 0 GIABRN O=C(CN1c2ccccc2S[C@@H](c2ccco2)CC1=O)Nc1ccccc1 ZINC000004162775 817507572 /nfs/dbraw/zinc/50/75/72/817507572.db2.gz VBLGQILLOZSJJL-LJQANCHMSA-N 0 0 378.453 4.488 40 0 GIABRN O=c1c2ccccc2n2c(SCc3ccccc3)nnc2n1Cc1ccccc1 ZINC000004500629 817528949 /nfs/dbraw/zinc/52/89/49/817528949.db2.gz ALLLCJKRFIJIBZ-UHFFFAOYSA-N 0 0 398.491 4.385 40 0 GIABRN COc1ccc(C)cc1NC(=O)CSc1nnc(COc2cccc(C)c2)o1 ZINC000005294534 817570390 /nfs/dbraw/zinc/57/03/90/817570390.db2.gz DKMBSADZCBKETG-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN CC(=O)Oc1ccc(C(=O)COC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000006296349 817674143 /nfs/dbraw/zinc/67/41/43/817674143.db2.gz PNNFGMMQVQDZOJ-UHFFFAOYSA-N 0 0 388.419 4.170 40 0 GIABRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccccc3C)C2=O)c1 ZINC000006473035 817696728 /nfs/dbraw/zinc/69/67/28/817696728.db2.gz JIBBUVPPYATHTD-WOJGMQOQSA-N 0 0 380.469 4.287 40 0 GIABRN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccccc2)CC1 ZINC000006569674 817706455 /nfs/dbraw/zinc/70/64/55/817706455.db2.gz SRVWWDWCLXSYER-DHZHZOJOSA-N 0 0 397.906 4.051 40 0 GIABRN CCOc1cc(C(=S)N2CCN(c3ccc(F)cc3)CC2)cc(Cl)c1O ZINC000006630741 817713282 /nfs/dbraw/zinc/71/32/82/817713282.db2.gz YJXANHZMVZZABB-UHFFFAOYSA-N 0 0 394.899 4.081 40 0 GIABRN CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)C(C(=O)OC)=C1C ZINC000006654674 817716330 /nfs/dbraw/zinc/71/63/30/817716330.db2.gz WVYPWGLPCXGPOZ-QNGOZBTKSA-N 0 0 391.467 4.348 40 0 GIABRN COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCCc3ccccc3)c2C)cc1 ZINC000006903189 817722791 /nfs/dbraw/zinc/72/27/91/817722791.db2.gz AGVBRQFBZLJNNJ-CJLVFECKSA-N 0 0 399.494 4.369 40 0 GIABRN CCC[C@H](C)NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000006947010 817727923 /nfs/dbraw/zinc/72/79/23/817727923.db2.gz NGKKZNILSXEUHD-GAJHUEQPSA-N 0 0 396.556 4.422 40 0 GIABRN CCN1C(=O)/C(=C\c2cc3c(cc2C)OCO3)S/C1=N/c1ccc(OC)cc1 ZINC000006954386 817728947 /nfs/dbraw/zinc/72/89/47/817728947.db2.gz OJLAPQMIUCJKBC-ZUBIIHIGSA-N 0 0 396.468 4.356 40 0 GIABRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c3ccccc23)C1=O ZINC000007078022 817754867 /nfs/dbraw/zinc/75/48/67/817754867.db2.gz POTVGHXHLBZFML-FHXOWUIVSA-N 0 0 399.468 4.226 40 0 GIABRN O=C(Nc1cccnc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000007094494 817757778 /nfs/dbraw/zinc/75/77/78/817757778.db2.gz HXYFDBRJLACWKJ-QFIPXVFZSA-N 0 0 389.480 4.108 40 0 GIABRN Cc1cc(O[C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc(C)c1Cl ZINC000007504682 817856819 /nfs/dbraw/zinc/85/68/19/817856819.db2.gz ZJJHNMUGEUHGOY-MRXNPFEDSA-N 0 0 390.886 4.212 40 0 GIABRN O=C(CSCc1ccccc1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000007523689 817861376 /nfs/dbraw/zinc/86/13/76/817861376.db2.gz RVHDVGLSOURTIY-UHFFFAOYSA-N 0 0 380.469 4.082 40 0 GIABRN CSc1nc2sc(C(=O)N3CCCCCC3)cc2c(N2CCCC2)n1 ZINC000007604283 817877948 /nfs/dbraw/zinc/87/79/48/817877948.db2.gz ZFMQCDXAKJYISW-UHFFFAOYSA-N 0 0 376.551 4.030 40 0 GIABRN COc1ccc(N2C[C@H](C(=O)Oc3ccc(-c4ccccc4)cc3)CC2=O)cc1 ZINC000007928979 817962307 /nfs/dbraw/zinc/96/23/07/817962307.db2.gz KPDRVEAKEBVBRG-LJQANCHMSA-N 0 0 387.435 4.321 40 0 GIABRN CC(=O)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 ZINC000007928817 817962344 /nfs/dbraw/zinc/96/23/44/817962344.db2.gz YZBATRSKNLFZSU-CYBMUJFWSA-N 0 0 392.238 4.155 40 0 GIABRN CCOc1ccc(N2C[C@H](C(=O)Oc3ccc4ccccc4c3)CC2=O)cc1 ZINC000007929189 817962963 /nfs/dbraw/zinc/96/29/63/817962963.db2.gz HYXRWSDJXBPFOF-GOSISDBHSA-N 0 0 375.424 4.197 40 0 GIABRN O=C(CCCC(=O)OCC(=O)Nc1ccccc1)Nc1cccc2ccccc21 ZINC000007939919 817965711 /nfs/dbraw/zinc/96/57/11/817965711.db2.gz QDFVEIPQBDSGGC-UHFFFAOYSA-N 0 0 390.439 4.131 40 0 GIABRN Cc1cccc(N(CCCC(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)c1 ZINC000008041494 817988482 /nfs/dbraw/zinc/98/84/82/817988482.db2.gz JISPDOWEGQIIFC-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN COc1ccccc1O[C@H](C)C(=O)NCCSCc1cccc(Cl)c1 ZINC000008041019 817988500 /nfs/dbraw/zinc/98/85/00/817988500.db2.gz XWFLVMYDPFMLBG-CQSZACIVSA-N 0 0 379.909 4.166 40 0 GIABRN Cc1cccc(N(CCCC(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 ZINC000008041194 817988592 /nfs/dbraw/zinc/98/85/92/817988592.db2.gz QXAZDENLKKPTRS-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(C)ccc1F ZINC000008090225 817998298 /nfs/dbraw/zinc/99/82/98/817998298.db2.gz NQNLMIZIEYLRMW-UHFFFAOYSA-N 0 0 384.480 4.067 40 0 GIABRN COc1ccc(OC)c(C[C@@H]2SC(=O)N(c3ccccc3Cl)C2=O)c1 ZINC000008114549 818002161 /nfs/dbraw/zinc/00/21/61/818002161.db2.gz XPHGRDLKILNIOR-INIZCTEOSA-N 0 0 377.849 4.168 40 0 GIABRN COc1ccc(/C=C/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 ZINC000008116279 818003108 /nfs/dbraw/zinc/00/31/08/818003108.db2.gz BMXUNRQCFWNXEB-VIEZSYPPSA-N 0 0 376.437 4.360 40 0 GIABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCCOc1ccc(OC)cc1 ZINC000015609137 818346776 /nfs/dbraw/zinc/34/67/76/818346776.db2.gz BRLPPNKJPYCPMA-INIZCTEOSA-N 0 0 384.476 4.021 40 0 GIABRN COc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4c[nH]nc4C)CC3)c2)cc1 ZINC000019691087 818598728 /nfs/dbraw/zinc/59/87/28/818598728.db2.gz ZCIQDBSYPSHWJR-UHFFFAOYSA-N 0 0 390.487 4.117 40 0 GIABRN CCN(C(C)=O)[C@H]1CN(C(=O)c2ccc3nc(C)sc3c2)C2(C1)CCCCC2 ZINC000019703881 818600751 /nfs/dbraw/zinc/60/07/51/818600751.db2.gz UMWGRCDINWTJCC-GOSISDBHSA-N 0 0 399.560 4.391 40 0 GIABRN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3F)n2C)c1 ZINC000022010535 818763571 /nfs/dbraw/zinc/76/35/71/818763571.db2.gz NTJASDFHRORHMD-UHFFFAOYSA-N 0 0 390.871 4.314 40 0 GIABRN Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000029768462 820513857 /nfs/dbraw/zinc/51/38/57/820513857.db2.gz HYFHJNDZILAAKK-IAGOWNOFSA-N 0 0 398.528 4.023 40 0 GIABRN Cc1ccc(N([C@H](C)C(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)cc1C ZINC000033731426 821059597 /nfs/dbraw/zinc/05/95/97/821059597.db2.gz NARNUXMNQNYCHC-QGZVFWFLSA-N 0 0 396.512 4.250 40 0 GIABRN O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc(Cl)c1N1CCCC1 ZINC000033899585 821060913 /nfs/dbraw/zinc/06/09/13/821060913.db2.gz MWQCZAODYPSGCR-VAWYXSNFSA-N 0 0 385.920 4.467 40 0 GIABRN O=C(NCC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000042645723 821319173 /nfs/dbraw/zinc/31/91/73/821319173.db2.gz MMBOQXXCLCCDIB-UHFFFAOYSA-N 0 0 378.859 4.227 40 0 GIABRN Cc1ccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1F ZINC000042646239 821319332 /nfs/dbraw/zinc/31/93/32/821319332.db2.gz UKLKRJRDBJKGSW-UHFFFAOYSA-N 0 0 376.431 4.021 40 0 GIABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000047081143 822543215 /nfs/dbraw/zinc/54/32/15/822543215.db2.gz XYRFVLAACDLYKD-FMIVXFBMSA-N 0 0 391.858 4.317 40 0 GIABRN CC(=O)c1cccc(NC(=O)COc2cc(C)c(Br)c(C)c2)c1 ZINC000218836523 222590279 /nfs/dbraw/zinc/59/02/79/222590279.db2.gz LBKCSBBVWFNPBP-UHFFFAOYSA-N 0 0 376.250 4.286 40 0 GIABRN CCOc1ccc(CCC(=O)N[C@H](C)COc2ccccc2C)cc1OCC ZINC000219279035 222592882 /nfs/dbraw/zinc/59/28/82/222592882.db2.gz ULDNQLUNVKBGEG-GOSISDBHSA-N 0 0 385.504 4.309 40 0 GIABRN CCOc1ccc(CCC(=O)N[C@H](C)COc2ccc(C)cc2)cc1OCC ZINC000219279127 222593855 /nfs/dbraw/zinc/59/38/55/222593855.db2.gz IRIVUVSWVRNKQF-GOSISDBHSA-N 0 0 385.504 4.309 40 0 GIABRN CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccc(C)c(C)c1 ZINC000219286809 222594010 /nfs/dbraw/zinc/59/40/10/222594010.db2.gz WLDRJIGAWWYZQP-GOSISDBHSA-N 0 0 394.924 4.209 40 0 GIABRN CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219581363 222595715 /nfs/dbraw/zinc/59/57/15/222595715.db2.gz ZZPPPSUHHGJIBB-QZTJIDSGSA-N 0 0 387.451 4.410 40 0 GIABRN CC[C@@H](NC(=O)[C@@H](CC)Oc1ccccc1OC)c1ccc(OC)c(OC)c1 ZINC000219567577 222596199 /nfs/dbraw/zinc/59/61/99/222596199.db2.gz UCRWTUIDKLBPGO-IAGOWNOFSA-N 0 0 387.476 4.137 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000219616032 222596333 /nfs/dbraw/zinc/59/63/33/222596333.db2.gz WSUXWVQTEXJTHE-QGZVFWFLSA-N 0 0 385.851 4.206 40 0 GIABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)nc1 ZINC000222591939 222610692 /nfs/dbraw/zinc/61/06/92/222610692.db2.gz FYBOVJHZYROGGX-YSSFQJQWSA-N 0 0 375.501 4.165 40 0 GIABRN COc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(Cl)cc1O ZINC000222590153 222610701 /nfs/dbraw/zinc/61/07/01/222610701.db2.gz GFEYHABLQHPKEU-HKJPBSJPSA-N 0 0 375.881 4.039 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3Cc3ccncc3)N21 ZINC000222686044 222611283 /nfs/dbraw/zinc/61/12/83/222611283.db2.gz UIXMXUABUPZMET-DUXKGJEZSA-N 0 0 389.528 4.306 40 0 GIABRN COc1ccc(OC)c([C@@H](C)NC(=O)CSCc2ccccc2Cl)c1 ZINC000008355931 230862742 /nfs/dbraw/zinc/86/27/42/230862742.db2.gz VREJCAMNJWUHCR-CYBMUJFWSA-N 0 0 379.909 4.468 40 0 GIABRN CC[C@@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N(CCOC)C2=O)cc1OC ZINC000409123376 529378333 /nfs/dbraw/zinc/37/83/33/529378333.db2.gz GQOCSAUHCPWZQU-HGLKBHAMSA-N 0 0 399.896 4.209 40 0 GIABRN COc1ccc(OCCCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 ZINC000016014375 230894450 /nfs/dbraw/zinc/89/44/50/230894450.db2.gz RTSUNHGAFLZKNQ-UHFFFAOYSA-N 0 0 396.487 4.119 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1C ZINC000030849198 230916166 /nfs/dbraw/zinc/91/61/66/230916166.db2.gz OMJRQMZMJATRMS-JOCHJYFZSA-N 0 0 381.497 4.380 40 0 GIABRN C[C@@H](NC(=O)[C@H](C)Oc1cccc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000222701227 222613392 /nfs/dbraw/zinc/61/33/92/222613392.db2.gz ALZWFWWFZLKUQQ-CVEARBPZSA-N 0 0 377.440 4.256 40 0 GIABRN Cc1ccc(SCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000059132833 230942329 /nfs/dbraw/zinc/94/23/29/230942329.db2.gz UKDIUKAXNQJESE-UHFFFAOYSA-N 0 0 394.462 4.455 40 0 GIABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3C)CC2=O)cc1 ZINC000059227218 230942832 /nfs/dbraw/zinc/94/28/32/230942832.db2.gz RKZOBUBQWWZEAE-CQSZACIVSA-N 0 0 387.277 4.058 40 0 GIABRN Cc1ccc(N2C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1C ZINC000059227374 230943335 /nfs/dbraw/zinc/94/33/35/230943335.db2.gz TWLBMGMPFVNPCI-CQSZACIVSA-N 0 0 376.378 4.314 40 0 GIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000222710855 222613714 /nfs/dbraw/zinc/61/37/14/222613714.db2.gz JNVQQJJNBXVOJN-XJKSGUPXSA-N 0 0 375.852 4.146 40 0 GIABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1nccs1 ZINC000222818017 222615854 /nfs/dbraw/zinc/61/58/54/222615854.db2.gz JEZNVZWPDAZIPN-ROUUACIJSA-N 0 0 397.573 4.327 40 0 GIABRN CC[C@H](Oc1ccccc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000222869464 222616836 /nfs/dbraw/zinc/61/68/36/222616836.db2.gz RHXKSXILYPERJI-KRWDZBQOSA-N 0 0 385.851 4.206 40 0 GIABRN COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 ZINC000222850084 222617512 /nfs/dbraw/zinc/61/75/12/222617512.db2.gz GIFWCCMLJPAWTM-CABCVRRESA-N 0 0 377.868 4.008 40 0 GIABRN CCc1ccc(O[C@H](CC)C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000222901002 222618143 /nfs/dbraw/zinc/61/81/43/222618143.db2.gz FAJIBUZDFWPNMH-LJQANCHMSA-N 0 0 379.460 4.081 40 0 GIABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(OCCC(C)C)cc3)CC2=O)cc1 ZINC000103717143 231014188 /nfs/dbraw/zinc/01/41/88/231014188.db2.gz IZCFOHLUWFVBIJ-GOSISDBHSA-N 0 0 380.488 4.412 40 0 GIABRN Cc1cccc(CCCNC(=O)c2ccc(C)cc2I)c1 ZINC000225026154 231033149 /nfs/dbraw/zinc/03/31/49/231033149.db2.gz OKZWHTKFUBWKOD-UHFFFAOYSA-N 0 0 393.268 4.271 40 0 GIABRN Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c(C)c1 ZINC000225144295 231033201 /nfs/dbraw/zinc/03/32/01/231033201.db2.gz GTOYNXKIOKQZIR-UHFFFAOYSA-N 0 0 390.530 4.370 40 0 GIABRN Fc1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCC3)n2)c(Cl)c1 ZINC000329004292 231046998 /nfs/dbraw/zinc/04/69/98/231046998.db2.gz KQZUPLYFAUYTHU-UHFFFAOYSA-N 0 0 383.858 4.273 40 0 GIABRN COc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(F)cc2)c1 ZINC000408614315 231081016 /nfs/dbraw/zinc/08/10/16/231081016.db2.gz ATWHKXISYDUUSA-UHFFFAOYSA-N 0 0 378.403 4.017 40 0 GIABRN Cc1ccc(OCCn2cc(C(=O)C(=O)N3CCCC3)c3ccccc32)cc1C ZINC000408565908 231063708 /nfs/dbraw/zinc/06/37/08/231063708.db2.gz DENOKPKFGCJVMR-UHFFFAOYSA-N 0 0 390.483 4.142 40 0 GIABRN Cc1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1NC(=O)c1ccccc1 ZINC000408604393 231076622 /nfs/dbraw/zinc/07/66/22/231076622.db2.gz ILDXKYBKNFAFQL-UHFFFAOYSA-N 0 0 398.528 4.416 40 0 GIABRN Cc1cc(S(=O)(=O)NC2CCCC2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408606403 231077066 /nfs/dbraw/zinc/07/70/66/231077066.db2.gz LWWKSSOQJVLBAD-UHFFFAOYSA-N 0 0 392.908 4.122 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)c2)cc1C ZINC000408669362 231092633 /nfs/dbraw/zinc/09/26/33/231092633.db2.gz GPDBHWXBAKAXRM-LVXYXVKQSA-N 0 0 390.483 4.481 40 0 GIABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCc2ccccc2)cc1 ZINC000408675305 231093154 /nfs/dbraw/zinc/09/31/54/231093154.db2.gz HIORBBXACSRBEK-UHFFFAOYSA-N 0 0 398.462 4.157 40 0 GIABRN O=C(c1ccccc1Cl)N(Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408686588 231094893 /nfs/dbraw/zinc/09/48/93/231094893.db2.gz SAZACYABXLZRIW-CALCHBBNSA-N 0 0 396.874 4.073 40 0 GIABRN CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000408702202 231098513 /nfs/dbraw/zinc/09/85/13/231098513.db2.gz LJTXRPYPAKKEGP-UHFFFAOYSA-N 0 0 396.468 4.493 40 0 GIABRN O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000408706780 231099958 /nfs/dbraw/zinc/09/99/58/231099958.db2.gz DOCNDCOHXYJUHN-JOCHJYFZSA-N 0 0 398.506 4.378 40 0 GIABRN Cc1cc(F)ccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408706718 231100219 /nfs/dbraw/zinc/10/02/19/231100219.db2.gz CQGQERKFWNLBRN-LLVKDONJSA-N 0 0 381.234 4.433 40 0 GIABRN CCn1cc(C(=O)Nc2cccc(Br)c2)c(=O)c2cc(C)ccc21 ZINC000408712990 231103211 /nfs/dbraw/zinc/10/32/11/231103211.db2.gz FIKQJVYCFLUIRQ-UHFFFAOYSA-N 0 0 385.261 4.345 40 0 GIABRN Cc1ccc(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)c(C)c1 ZINC000408622033 231084347 /nfs/dbraw/zinc/08/43/47/231084347.db2.gz AFAPMZJTMAJBAG-UHFFFAOYSA-N 0 0 392.480 4.118 40 0 GIABRN Cc1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)c1 ZINC000408736843 231108858 /nfs/dbraw/zinc/10/88/58/231108858.db2.gz JBBNWIPWJGUTSY-OAQYLSRUSA-N 0 0 393.487 4.408 40 0 GIABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000222973760 222620557 /nfs/dbraw/zinc/62/05/57/222620557.db2.gz MAOZYWCQGAXFOP-KRWDZBQOSA-N 0 0 399.878 4.481 40 0 GIABRN C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000409135223 231169436 /nfs/dbraw/zinc/16/94/36/231169436.db2.gz VTZOUOSFYSBZBR-HNNXBMFYSA-N 0 0 380.469 4.329 40 0 GIABRN COc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(OC)c1 ZINC000409136771 231169849 /nfs/dbraw/zinc/16/98/49/231169849.db2.gz ZKMFNJMTIUEIRL-CPNJWEJPSA-N 0 0 383.469 4.373 40 0 GIABRN Cc1ccc(OCc2nn(CC(=O)Nc3ccc(C)c(C)c3)c(=S)o2)cc1 ZINC000409156462 231172802 /nfs/dbraw/zinc/17/28/02/231172802.db2.gz SIYNUEZWQOQDNJ-UHFFFAOYSA-N 0 0 383.473 4.349 40 0 GIABRN Cc1ccc(OCc2nn(CC(=O)Nc3c(C)cccc3C)c(=S)o2)cc1 ZINC000409160553 231172909 /nfs/dbraw/zinc/17/29/09/231172909.db2.gz RGLUJBHMUUKFQL-UHFFFAOYSA-N 0 0 383.473 4.349 40 0 GIABRN CCn1c(SCC(=O)Nc2cccc(F)c2C)nnc1-c1ccc(C)cc1 ZINC000409158209 231173045 /nfs/dbraw/zinc/17/30/45/231173045.db2.gz KOMNUSAWWZQSKQ-UHFFFAOYSA-N 0 0 384.480 4.452 40 0 GIABRN Cc1nnc(SCC(=O)Nc2c(C)cc(C)cc2C)n1-c1ccc(F)cc1 ZINC000409094780 231158859 /nfs/dbraw/zinc/15/88/59/231158859.db2.gz GAKFHWMNSLTDBF-UHFFFAOYSA-N 0 0 384.480 4.371 40 0 GIABRN C[C@@H]1CCCC2=C1NN(C(=O)c1ccc(C(C)(C)C)cc1)[C@@]2(O)C(F)(F)F ZINC000409178486 231175219 /nfs/dbraw/zinc/17/52/19/231175219.db2.gz KDCYZFYPHVPDRC-YFROIQMUSA-N 0 0 382.426 4.483 40 0 GIABRN CCc1s/c(=N\S(=O)(=O)c2ccc(Cl)cc2)n(C)c1-c1ccccc1 ZINC000409197061 231178177 /nfs/dbraw/zinc/17/81/77/231178177.db2.gz VCESAXRTTBFDGW-ZZEZOPTASA-N 0 0 392.933 4.259 40 0 GIABRN COCCCN1C(=O)S/C(=C/c2cccn2-c2ccc(Cl)cc2)C1=O ZINC000409248825 231187926 /nfs/dbraw/zinc/18/79/26/231187926.db2.gz RGNUDYVJRKOAMD-FOWTUZBSSA-N 0 0 376.865 4.204 40 0 GIABRN CCn1c(CC(=O)Nc2ccccc2)nnc1SCc1ccccc1Cl ZINC000409351134 231194503 /nfs/dbraw/zinc/19/45/03/231194503.db2.gz ZRBLPCASNZHXQW-UHFFFAOYSA-N 0 0 386.908 4.425 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222965039 222621132 /nfs/dbraw/zinc/62/11/32/222621132.db2.gz XCCSNOOPIKOALH-SFHVURJKSA-N 0 0 393.314 4.089 40 0 GIABRN Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)c1 ZINC000409409242 231201721 /nfs/dbraw/zinc/20/17/21/231201721.db2.gz GIRHGGJOPDZMBX-HNNXBMFYSA-N 0 0 394.924 4.058 40 0 GIABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000223026039 222623109 /nfs/dbraw/zinc/62/31/09/222623109.db2.gz ZNVSHRBJUYNNOQ-VQTJNVASSA-N 0 0 397.475 4.100 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223062774 222624644 /nfs/dbraw/zinc/62/46/44/222624644.db2.gz ZPBLPXXDJQYFGK-NRFANRHFSA-N 0 0 398.572 4.339 40 0 GIABRN CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000409106883 529580992 /nfs/dbraw/zinc/58/09/92/529580992.db2.gz PTWFSLGYFVNGHM-UHFFFAOYSA-N 0 0 380.517 4.486 40 0 GIABRN CCc1ccccc1NC(=O)CSc1nnc(C)n1-c1ccc(C)c(C)c1 ZINC000409096776 529595529 /nfs/dbraw/zinc/59/55/29/529595529.db2.gz KNMYVZWILRYPJB-UHFFFAOYSA-N 0 0 380.517 4.486 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccccc1OC ZINC000223123136 222625934 /nfs/dbraw/zinc/62/59/34/222625934.db2.gz HSVAUUGXYAMXJU-QFIPXVFZSA-N 0 0 381.516 4.480 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223092995 222625988 /nfs/dbraw/zinc/62/59/88/222625988.db2.gz VOBLDOMFPGFSOH-OAQYLSRUSA-N 0 0 394.559 4.488 40 0 GIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C ZINC000223130080 222626036 /nfs/dbraw/zinc/62/60/36/222626036.db2.gz GOKYRGOTAIUDTC-FQEVSTJZSA-N 0 0 386.923 4.072 40 0 GIABRN COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c(OC)c1OC ZINC000223157561 222627082 /nfs/dbraw/zinc/62/70/82/222627082.db2.gz PNEKPXUIDDJDIY-FQNOHDAGSA-N 0 0 381.472 4.092 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000223268184 222628347 /nfs/dbraw/zinc/62/83/47/222628347.db2.gz CQAMRMYFTRZYKH-NRFANRHFSA-N 0 0 397.515 4.099 40 0 GIABRN CCc1ccc(OCCNC(=O)CSCc2c(F)cccc2Cl)cc1 ZINC000223456569 222633242 /nfs/dbraw/zinc/63/32/42/222633242.db2.gz NUHTZBWWGDOMPO-UHFFFAOYSA-N 0 0 381.900 4.470 40 0 GIABRN CCc1ccc([C@H](c2c[nH]c3ccccc32)C2C(=O)OC(C)(C)OC2=O)cc1 ZINC000409122564 529726524 /nfs/dbraw/zinc/72/65/24/529726524.db2.gz ZPSBDLRYWUFLPE-LJQANCHMSA-N 0 0 377.440 4.315 40 0 GIABRN CCC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223480917 222634278 /nfs/dbraw/zinc/63/42/78/222634278.db2.gz QQXVXEBLKQTDNU-SIKLNZKXSA-N 0 0 380.532 4.260 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223546652 222635438 /nfs/dbraw/zinc/63/54/38/222635438.db2.gz BECNHNNJGLYFDV-OAQYLSRUSA-N 0 0 394.559 4.222 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000223710622 222640934 /nfs/dbraw/zinc/64/09/34/222640934.db2.gz XFSVGYZAZGHAOE-QFIPXVFZSA-N 0 0 394.559 4.302 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 ZINC000223703013 222641026 /nfs/dbraw/zinc/64/10/26/222641026.db2.gz QSMVNHLGLJBUHA-QFIPXVFZSA-N 0 0 380.532 4.261 40 0 GIABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000223830707 222645649 /nfs/dbraw/zinc/64/56/49/222645649.db2.gz KMQKYUUUBXCMRX-QGZVFWFLSA-N 0 0 398.934 4.359 40 0 GIABRN S=C(NCc1ccc(-c2ccccc2)o1)Nc1ccc(N2CCCC2)nc1 ZINC000223910632 222646497 /nfs/dbraw/zinc/64/64/97/222646497.db2.gz SNQHDSOFMUIREK-UHFFFAOYSA-N 0 0 378.501 4.428 40 0 GIABRN CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)c1ccc(C)c(C)c1 ZINC000223904576 222647449 /nfs/dbraw/zinc/64/74/49/222647449.db2.gz LHXISOKSBAEKHB-GOSISDBHSA-N 0 0 395.908 4.173 40 0 GIABRN Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc2c(c1)OCO2 ZINC000223999845 222648072 /nfs/dbraw/zinc/64/80/72/222648072.db2.gz BKEJRYDMMORIEA-ZWKOTPCHSA-N 0 0 395.509 4.357 40 0 GIABRN CCSc1nnc(NC(=O)CSCc2ccc(Cl)cc2F)s1 ZINC000224006338 222648727 /nfs/dbraw/zinc/64/87/27/222648727.db2.gz JBOIESIABUKTBE-UHFFFAOYSA-N 0 0 377.919 4.315 40 0 GIABRN CCC1(CC)C[C@H](NS(=O)(=O)c2ccc(OC)c(C)c2)c2ccccc2O1 ZINC000224311190 222654979 /nfs/dbraw/zinc/65/49/79/222654979.db2.gz IKHWTPLYVCBZRD-SFHVURJKSA-N 0 0 389.517 4.365 40 0 GIABRN CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc(OC)c(C)c2)c2ccccc2O1 ZINC000224311130 222655355 /nfs/dbraw/zinc/65/53/55/222655355.db2.gz IKHWTPLYVCBZRD-GOSISDBHSA-N 0 0 389.517 4.365 40 0 GIABRN Cc1ccccc1OCCNC(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000224556592 222658591 /nfs/dbraw/zinc/65/85/91/222658591.db2.gz CCXDXRNUMPKZJT-UHFFFAOYSA-N 0 0 388.467 4.084 40 0 GIABRN CC(C)Oc1ccc(CCCNC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000224595056 222658712 /nfs/dbraw/zinc/65/87/12/222658712.db2.gz FYYRAPZYBUHOEQ-UHFFFAOYSA-N 0 0 381.516 4.271 40 0 GIABRN CCc1ccccc1NC(=O)CCc1ncc(-c2ccc(OC)cc2OC)o1 ZINC000224866781 222663911 /nfs/dbraw/zinc/66/39/11/222663911.db2.gz ICIBDAHYQAWYHO-UHFFFAOYSA-N 0 0 380.444 4.493 40 0 GIABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000225005002 222667287 /nfs/dbraw/zinc/66/72/87/222667287.db2.gz BTCICVDZXMEXHP-QFIPXVFZSA-N 0 0 390.483 4.473 40 0 GIABRN CCOC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225043970 222667601 /nfs/dbraw/zinc/66/76/01/222667601.db2.gz WNCLWJDGMDDPMF-UHFFFAOYSA-N 0 0 397.496 4.215 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 ZINC000225052317 222667914 /nfs/dbraw/zinc/66/79/14/222667914.db2.gz GJFIDOVKOYRUTH-VQTJNVASSA-N 0 0 380.532 4.178 40 0 GIABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C ZINC000225048029 222668331 /nfs/dbraw/zinc/66/83/31/222668331.db2.gz QHELBFSAWDZOTL-ZDUSSCGKSA-N 0 0 378.453 4.159 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225132567 222669960 /nfs/dbraw/zinc/66/99/60/222669960.db2.gz AKUIZUYFHQKZRK-LEWJYISDSA-N 0 0 394.559 4.486 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 ZINC000225194655 222671010 /nfs/dbraw/zinc/67/10/10/222671010.db2.gz NLGGBKSOEKNIPN-FQEVSTJZSA-N 0 0 386.923 4.216 40 0 GIABRN COCc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c1 ZINC000225189437 222671502 /nfs/dbraw/zinc/67/15/02/222671502.db2.gz ZZGTURLZDPZRPZ-ZHZULCJRSA-N 0 0 392.480 4.304 40 0 GIABRN CC(C)[C@H](C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000225185221 222671684 /nfs/dbraw/zinc/67/16/84/222671684.db2.gz ZDTQGVVEOHHMMS-AOMKIAJQSA-N 0 0 382.529 4.235 40 0 GIABRN O=C(CCc1ccccc1)N1CCS/C1=C\c1nc(-c2ccccc2F)no1 ZINC000225243300 222672805 /nfs/dbraw/zinc/67/28/05/222672805.db2.gz VYJBVKYKEDIRQP-XSFVSMFZSA-N 0 0 395.459 4.382 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225444601 222678599 /nfs/dbraw/zinc/67/85/99/222678599.db2.gz JKJFWTBKHVRQOD-LEWJYISDSA-N 0 0 394.559 4.220 40 0 GIABRN Cc1cc(NC(=S)N[C@H](C)CCc2ccccc2)ccc1N1CCCC1=O ZINC000225515941 222680977 /nfs/dbraw/zinc/68/09/77/222680977.db2.gz RSWLFWZYRCOEIK-QGZVFWFLSA-N 0 0 381.545 4.430 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 ZINC000225556219 222683622 /nfs/dbraw/zinc/68/36/22/222683622.db2.gz OOCCYUDVECCUFI-UGKGYDQZSA-N 0 0 396.531 4.096 40 0 GIABRN COC(=O)c1cccc(NC(=S)NCCCSCc2ccccc2F)c1 ZINC000225612806 222686437 /nfs/dbraw/zinc/68/64/37/222686437.db2.gz WSIHTSLBFHLREP-UHFFFAOYSA-N 0 0 392.521 4.222 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C)c(C)c1 ZINC000225712542 222691978 /nfs/dbraw/zinc/69/19/78/222691978.db2.gz JNHOHBQEFLIZTA-QFIPXVFZSA-N 0 0 396.531 4.014 40 0 GIABRN O=C(Cn1ccc(=O)c2ccc(Br)cc21)Nc1ccccc1Cl ZINC000225739202 222693818 /nfs/dbraw/zinc/69/38/18/222693818.db2.gz JNEVBGCYQWSREZ-UHFFFAOYSA-N 0 0 391.652 4.056 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)Cc3ccc(Cl)cc3F)s2)cc1 ZINC000225736709 222694493 /nfs/dbraw/zinc/69/44/93/222694493.db2.gz JJMUMZVZRMEVMT-UHFFFAOYSA-N 0 0 377.828 4.187 40 0 GIABRN Cc1ccc(Cl)cc1N1CCN(C(=O)c2snnc2-c2ccccc2)CC1 ZINC000225760250 222695345 /nfs/dbraw/zinc/69/53/45/222695345.db2.gz GZEDCFXSSCJXGQ-UHFFFAOYSA-N 0 0 398.919 4.129 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)ccc1OC(C)C ZINC000225808094 222697919 /nfs/dbraw/zinc/69/79/19/222697919.db2.gz KUKGOJVNFLEEFB-VFNWGFHPSA-N 0 0 377.481 4.184 40 0 GIABRN COC(=O)c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000226364026 222707514 /nfs/dbraw/zinc/70/75/14/222707514.db2.gz XPYPARCTOBNJSU-UHFFFAOYSA-N 0 0 385.641 4.477 40 0 GIABRN CCCOC1(C(=O)Nc2ccc(OCC)c(C(=O)OCC)c2)CCCCC1 ZINC000225851441 222700874 /nfs/dbraw/zinc/70/08/74/222700874.db2.gz GYBVKIWTNVYPCZ-UHFFFAOYSA-N 0 0 377.481 4.330 40 0 GIABRN CCOCCOc1ncc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C ZINC000225862420 222701312 /nfs/dbraw/zinc/70/13/12/222701312.db2.gz XGAXMTFNRMDQCW-UHFFFAOYSA-N 0 0 386.467 4.395 40 0 GIABRN CCCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)cc1C(=O)OC ZINC000225857793 222701316 /nfs/dbraw/zinc/70/13/16/222701316.db2.gz LMTHKAKBVXXHPC-OAQYLSRUSA-N 0 0 377.481 4.186 40 0 GIABRN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)c(C)n1 ZINC000225877198 222701496 /nfs/dbraw/zinc/70/14/96/222701496.db2.gz UFMUYHYUZLMKRV-UHFFFAOYSA-N 0 0 395.286 4.392 40 0 GIABRN CCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(OC)ccc4O)OCC[C@]13C2 ZINC000257204332 222753003 /nfs/dbraw/zinc/75/30/03/222753003.db2.gz AUAXLFHDQGUANC-SVRPTRLLSA-N 0 0 387.520 4.200 40 0 GIABRN CCCC(=O)N1CCC(Cc2cccc(-c3cccs3)c2)(C(=O)NC)CC1 ZINC000257214748 222755556 /nfs/dbraw/zinc/75/55/56/222755556.db2.gz CNHGJJLHQNSWDX-UHFFFAOYSA-N 0 0 384.545 4.113 40 0 GIABRN O=C(COc1ccccc1F)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257230913 222758704 /nfs/dbraw/zinc/75/87/04/222758704.db2.gz GEMKTVFFCFSCIC-IBGZPJMESA-N 0 0 398.409 4.286 40 0 GIABRN O=C(CCC1CCCC1)N1CCO[C@@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 ZINC000257269066 222767230 /nfs/dbraw/zinc/76/72/30/222767230.db2.gz MOKRRRAWTNXHKT-HXUWFJFHSA-N 0 0 398.482 4.230 40 0 GIABRN Cn1nccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257285926 222769953 /nfs/dbraw/zinc/76/99/53/222769953.db2.gz PJLJYCBLFLWPDZ-QGZVFWFLSA-N 0 0 384.867 4.020 40 0 GIABRN O=C(c1cncnc1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257304341 222773020 /nfs/dbraw/zinc/77/30/20/222773020.db2.gz SLEFKFCWKRUQAV-GOSISDBHSA-N 0 0 382.851 4.076 40 0 GIABRN O=C(c1ccnnc1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257316263 222775469 /nfs/dbraw/zinc/77/54/69/222775469.db2.gz VEWGKDKBDDKVMN-GOSISDBHSA-N 0 0 382.851 4.076 40 0 GIABRN Cc1occc1C(=O)N1CCC[C@@H](c2nc3ccc(-c4cccs4)cn3n2)C1 ZINC000306128194 222794958 /nfs/dbraw/zinc/79/49/58/222794958.db2.gz GTRFDKVEBPGRMV-MRXNPFEDSA-N 0 0 392.484 4.379 40 0 GIABRN CC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccccc3F)o2)C[C@H]1C(C)C ZINC000035442813 291135165 /nfs/dbraw/zinc/13/51/65/291135165.db2.gz XLVYBOSLTDNJAG-LNLFQRSKSA-N 0 0 385.483 4.409 40 0 biogenic,in-vitro GIABRN CN(C=O)c1ccc(C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)cc1 ZINC000001704829 212254754 /nfs/dbraw/zinc/25/47/54/212254754.db2.gz OGGKWBMRDABYCI-UHFFFAOYSA-N 0 0 385.508 4.096 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)OC1CCCCC1 ZINC000001703552 212254245 /nfs/dbraw/zinc/25/42/45/212254245.db2.gz JAOSJNXZQWDHAH-UHFFFAOYSA-N 0 0 380.510 4.179 40 0 GIABRN Nc1cc2c(cc1I)-c1ccc(Br)cc1C2 ZINC000001699677 212253816 /nfs/dbraw/zinc/25/38/16/212253816.db2.gz IDCGTXOQLKDMBT-UHFFFAOYSA-N 0 0 386.030 4.207 40 0 GIABRN O=C1[C@@H](Cc2ccccc2)C(=O)N2c3ccccc3C=C[C@@H]2N1c1ccccc1 ZINC000001591654 212250529 /nfs/dbraw/zinc/25/05/29/212250529.db2.gz HELUUHQYJVWQKD-FYYLOGMGSA-N 0 0 380.447 4.278 40 0 GIABRN CCNC(=O)c1c(C)nc(-c2ccccc2)nc1Nc1ccc(OCC)cc1 ZINC000001610197 212250565 /nfs/dbraw/zinc/25/05/65/212250565.db2.gz FBSWAQNCHLSPHO-UHFFFAOYSA-N 0 0 376.460 4.344 40 0 GIABRN Cc1ccc(C)c(NC(=O)Cc2sc(Nc3ccccc3Cl)nc2O)c1 ZINC000001623951 212250582 /nfs/dbraw/zinc/25/05/82/212250582.db2.gz FZIWAIYGXCODCO-MRXNPFEDSA-N 0 0 387.892 4.396 40 0 GIABRN C[C@@H]1S[C@]2(C(=O)Nc3ccc(Cl)cc32)N(c2ccc(Cl)cc2)C1=O ZINC000001609976 212250073 /nfs/dbraw/zinc/25/00/73/212250073.db2.gz LFRJZJZRKNOYKS-HUTHGQBESA-N 0 0 379.268 4.267 40 0 GIABRN Cc1cccn2c1nc(-c1cc3cccc(C)c3[nH]c1=O)c2NC[C@@H]1CCCO1 ZINC000001330099 212235214 /nfs/dbraw/zinc/23/52/14/212235214.db2.gz ZUMDLDQUOMIPSR-KRWDZBQOSA-N 0 0 388.471 4.051 40 0 GIABRN C[C@H]1CCc2c(sc3[nH]c(SCC(=O)c4cccs4)nc(=O)c23)C1 ZINC000001290882 212233826 /nfs/dbraw/zinc/23/38/26/212233826.db2.gz ARFVZNQKVWNXGU-VIFPVBQESA-N 0 0 376.528 4.146 40 0 GIABRN Cc1cccc(C)c1NC(=O)Cn1c(=O)sc2cc(Br)ccc21 ZINC000001107886 212217540 /nfs/dbraw/zinc/21/75/40/212217540.db2.gz UDLZFZXLGCEACG-UHFFFAOYSA-N 0 0 391.290 4.081 40 0 GIABRN Cc1ccc(NCc2nnc(SCC(=O)OC3CCCCC3)o2)c(C)c1 ZINC000000925230 212195018 /nfs/dbraw/zinc/19/50/18/212195018.db2.gz HBHARJCMFORPEQ-UHFFFAOYSA-N 0 0 375.494 4.267 40 0 GIABRN CC(C)[C@H]1C[C@@](CC(=O)NC[C@@H]2CCCO2)(Cc2ccccc2Cl)CCO1 ZINC000009477289 212191079 /nfs/dbraw/zinc/19/10/79/212191079.db2.gz LRGKQJCLUPBOEQ-DWLFOUALSA-N 0 0 393.955 4.389 40 0 GIABRN Cc1cccc(C(=O)N(Cc2cccnc2)Cc2cc3cc(C)ccc3[nH]c2=O)c1 ZINC000000790391 212180934 /nfs/dbraw/zinc/18/09/34/212180934.db2.gz MQNAOUKEVYYAAK-UHFFFAOYSA-N 0 0 397.478 4.383 40 0 GIABRN CCCCOc1cccc(C(=O)N2CCN(c3c(N)cccc3Cl)CC2)c1 ZINC000057331946 212132012 /nfs/dbraw/zinc/13/20/12/212132012.db2.gz JTXBYSKNRNCTBY-UHFFFAOYSA-N 0 0 387.911 4.064 40 0 GIABRN CC(C)N1C[C@H](C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)CC1=O ZINC000035322747 212118178 /nfs/dbraw/zinc/11/81/78/212118178.db2.gz VBCSBARDCKTRID-OAHLLOKOSA-N 0 0 379.485 4.159 40 0 GIABRN COc1ccccc1NC(=O)Cc1csc(NC(=S)Nc2ccccc2)n1 ZINC000013478182 212117878 /nfs/dbraw/zinc/11/78/78/212117878.db2.gz MTPBIYCXUSZVHH-UHFFFAOYSA-N 0 0 398.513 4.142 40 0 GIABRN CCOC(=O)[C@H]1CC(=O)N(c2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)C1 ZINC000045887269 212119195 /nfs/dbraw/zinc/11/91/95/212119195.db2.gz NQSUINFFIOTADC-AWEZNQCLSA-N 0 0 398.846 4.373 40 0 GIABRN O=C(Cc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)N1CCOCC1 ZINC000041127676 212118926 /nfs/dbraw/zinc/11/89/26/212118926.db2.gz OJLLJZYXYGJRLD-UHFFFAOYSA-N 0 0 391.254 4.203 40 0 GIABRN CCc1cc(NC(N)=S)cc(C)c1NC(=O)c1ccccc1Br ZINC000045891109 212118954 /nfs/dbraw/zinc/11/89/54/212118954.db2.gz AICYRGKYVAGYKP-UHFFFAOYSA-N 0 0 392.322 4.228 40 0 GIABRN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2ccccc2Cl)cc1 ZINC000036092272 212111189 /nfs/dbraw/zinc/11/11/89/212111189.db2.gz OFYYPUXUJXJWOP-YKLJGAPNSA-N 0 0 379.843 4.231 40 0 GIABRN CC[C@@H](C)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(C2CC2)n1 ZINC000329066136 212094866 /nfs/dbraw/zinc/09/48/66/212094866.db2.gz XXISCDNYTTVAKW-OAHLLOKOSA-N 0 0 380.536 4.355 40 0 GIABRN Fc1cccc(Cl)c1Nc1cc(-c2ccccn2)nc(NC2CCCC2)n1 ZINC000329031230 212093480 /nfs/dbraw/zinc/09/34/80/212093480.db2.gz QHWYEGCJWGHZEA-UHFFFAOYSA-N 0 0 383.858 4.273 40 0 GIABRN CC(C)Nc1nc(C2CC2)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)n1 ZINC000329021320 212093264 /nfs/dbraw/zinc/09/32/64/212093264.db2.gz OFZKRYXRHKAUOP-UHFFFAOYSA-N 0 0 392.425 4.058 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2Cl)cc(C2CC2)n1 ZINC000329015363 212093129 /nfs/dbraw/zinc/09/31/29/212093129.db2.gz NAMSNMMNNONIQL-INIZCTEOSA-N 0 0 381.307 4.255 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)cc2)cc(-c2ccccn2)n1 ZINC000328982930 212092470 /nfs/dbraw/zinc/09/24/70/212092470.db2.gz HDXMBFYSYBNYSR-SFHVURJKSA-N 0 0 383.883 4.364 40 0 GIABRN CC(C)Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCCC2)n1 ZINC000328986442 212092287 /nfs/dbraw/zinc/09/22/87/212092287.db2.gz HYOLGDIGHZIBHD-UHFFFAOYSA-N 0 0 394.441 4.451 40 0 GIABRN Brc1ccccc1Nc1cc(C2CC2)nc(NC2CCCCC2)n1 ZINC000328996554 212092373 /nfs/dbraw/zinc/09/23/73/212092373.db2.gz JKEJVDHNIFKPPM-UHFFFAOYSA-N 0 0 387.325 4.449 40 0 GIABRN COc1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)cc1F ZINC000329005932 212092092 /nfs/dbraw/zinc/09/20/92/212092092.db2.gz LAQNKWSMZWNTRB-UHFFFAOYSA-N 0 0 393.466 4.018 40 0 GIABRN Cc1ccc(Cl)cc1Nc1cc(-c2cccnc2)nc(NC2CCCC2)n1 ZINC000329007192 212092184 /nfs/dbraw/zinc/09/21/84/212092184.db2.gz LIKHGLKNLYDFLZ-UHFFFAOYSA-N 0 0 379.895 4.442 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(C2CC2)n1 ZINC000329066608 212095031 /nfs/dbraw/zinc/09/50/31/212095031.db2.gz YCEVFOZNWBWEOI-MRXNPFEDSA-N 0 0 381.307 4.255 40 0 GIABRN COc1cc(Nc2cc(-c3ccccc3)nc(NC3CCCC3)n2)cc(OC)c1 ZINC000329061235 212095215 /nfs/dbraw/zinc/09/52/15/212095215.db2.gz WPKSITAESXTCPL-UHFFFAOYSA-N 0 0 390.487 4.103 40 0 GIABRN Cc1c(Br)cccc1Nc1cc(C2CC2)nc(NC2CCCC2)n1 ZINC000329066314 212094928 /nfs/dbraw/zinc/09/49/28/212094928.db2.gz XZSHLECZMGRBFE-UHFFFAOYSA-N 0 0 387.325 4.367 40 0 GIABRN CSc1cccc(Nc2cc(-c3ccccn3)nc(NC3CCCC3)n2)c1 ZINC000329045507 212094989 /nfs/dbraw/zinc/09/49/89/212094989.db2.gz TVYJKFLFDARTBX-UHFFFAOYSA-N 0 0 377.517 4.202 40 0 GIABRN CCOc1ccc(Nc2cc(-c3cccnc3)nc(N[C@@H](CO)C(C)C)n2)cc1 ZINC000328972693 212090746 /nfs/dbraw/zinc/09/07/46/212090746.db2.gz DYAIMCDPOMJNAN-FQEVSTJZSA-N 0 0 393.491 4.110 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(Nc2cccc(F)c2F)cc(-c2ccccc2)n1 ZINC000328978230 212090748 /nfs/dbraw/zinc/09/07/48/212090748.db2.gz FXBBSWODNWGJJQ-SFHVURJKSA-N 0 0 384.430 4.016 40 0 GIABRN Fc1cc(F)cc(CNc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)c1 ZINC000328974276 212090556 /nfs/dbraw/zinc/09/05/56/212090556.db2.gz FEZSEHFZHZPOCW-UHFFFAOYSA-N 0 0 395.457 4.017 40 0 GIABRN CC(C)Nc1nc(Nc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328956528 212090433 /nfs/dbraw/zinc/09/04/33/212090433.db2.gz AGTCLMQHZIZFSR-UHFFFAOYSA-N 0 0 388.393 4.450 40 0 GIABRN CSc1ccc(S(=O)(=O)NCCSCc2ccccc2Cl)cc1 ZINC000408543393 532996040 /nfs/dbraw/zinc/99/60/40/532996040.db2.gz DCBJZHIHHYAUHX-UHFFFAOYSA-N 0 0 387.979 4.274 40 0 GIABRN COc1cc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)c(OC)cc1Cl ZINC000408621196 533016651 /nfs/dbraw/zinc/01/66/51/533016651.db2.gz KJRBJFFQUMEGKD-UHFFFAOYSA-N 0 0 393.720 4.175 40 0 GIABRN CSc1ncc(/C=C/C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cn1 ZINC000408535403 533081346 /nfs/dbraw/zinc/08/13/46/533081346.db2.gz YORYGKJJLHFANG-ONEGZZNKSA-N 0 0 376.894 4.422 40 0 GIABRN O=C(CSc1nnc(C2CCCCC2)n1-c1ccccc1)N1CCCCC1 ZINC000000892244 220464260 /nfs/dbraw/zinc/46/42/60/220464260.db2.gz GXTDBDNWNBEZKV-UHFFFAOYSA-N 0 0 384.549 4.420 40 0 GIABRN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(F)c3)C(=O)[C@H]12 ZINC000000777860 220457291 /nfs/dbraw/zinc/45/72/91/220457291.db2.gz YMZFIVUOLLUHHE-NFJKTXFASA-N 0 0 383.422 4.396 40 0 GIABRN COC(=O)/C(=C\c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1 ZINC000000823111 220459855 /nfs/dbraw/zinc/45/98/55/220459855.db2.gz ZHLXMOCANFFGJO-HMMYKYKNSA-N 0 0 384.435 4.275 40 0 aggregator GIABRN CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(O)cc1 ZINC000000907361 220465195 /nfs/dbraw/zinc/46/51/95/220465195.db2.gz SSXPHECEHFVJKP-UHFFFAOYSA-N 0 0 382.489 4.018 40 0 GIABRN O=C(NC1CCCCCC1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000000918141 220465869 /nfs/dbraw/zinc/46/58/69/220465869.db2.gz ZUBFRNHTMWEUEK-UHFFFAOYSA-N 0 0 392.381 4.461 40 0 GIABRN Cc1ccc([C@H](OC(=O)c2cccs2)C(=O)NCc2ccc(F)cc2)cc1 ZINC000001381182 220492800 /nfs/dbraw/zinc/49/28/00/220492800.db2.gz NBBKHVJTFWGEII-IBGZPJMESA-N 0 0 383.444 4.410 40 0 GIABRN O=C(CSc1nc2ccccc2n1Cc1ccccc1F)NC1CCCC1 ZINC000001381398 220493138 /nfs/dbraw/zinc/49/31/38/220493138.db2.gz USHYSWVUFLAFKY-UHFFFAOYSA-N 0 0 383.492 4.375 40 0 GIABRN Cc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)NCc1ccccc1 ZINC000001379069 220493541 /nfs/dbraw/zinc/49/35/41/220493541.db2.gz CULAFBACLOBTJC-OUKQBFOZSA-N 0 0 377.469 4.033 40 0 GIABRN CC(C)c1nc2ccccc2c2nnc(SCC(=O)N(C(C)C)C(C)C)n21 ZINC000001327774 220488132 /nfs/dbraw/zinc/48/81/32/220488132.db2.gz DUVLNGRFZPBKLB-UHFFFAOYSA-N 0 0 385.537 4.138 40 0 GIABRN CCCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccco1 ZINC000001364380 220490891 /nfs/dbraw/zinc/49/08/91/220490891.db2.gz PVADWUOKPXNGCI-UHFFFAOYSA-N 0 0 376.869 4.332 40 0 GIABRN CCn1ncc(CN(C)C(=O)c2ccccc2COc2ccc(F)cc2F)c1C ZINC000002788360 220565948 /nfs/dbraw/zinc/56/59/48/220565948.db2.gz APDZVKPRYAUXOH-UHFFFAOYSA-N 0 0 399.441 4.341 40 0 GIABRN C[C@H]1CCCCN1C(=O)CSc1nnc2c3ccccc3nc(C(C)(C)C)n12 ZINC000004898230 220786815 /nfs/dbraw/zinc/78/68/15/220786815.db2.gz BCKGYXDBMDASFH-AWEZNQCLSA-N 0 0 397.548 4.068 40 0 GIABRN COCCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1cccc(C)c1 ZINC000004861250 220779856 /nfs/dbraw/zinc/77/98/56/220779856.db2.gz SLAIALFSOWUNNJ-UHFFFAOYSA-N 0 0 393.487 4.134 40 0 GIABRN CC(C)(C)NC(=O)CN(C(=O)c1ccc(Cl)nc1)c1cccc2ccccc21 ZINC000004986425 220804245 /nfs/dbraw/zinc/80/42/45/220804245.db2.gz NJXPTNALCOHQGK-UHFFFAOYSA-N 0 0 395.890 4.450 40 0 GIABRN Cc1cc(OCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)c2c(c1)oc(=O)c1c2CCCC1 ZINC000004986080 220805098 /nfs/dbraw/zinc/80/50/98/220805098.db2.gz OYGUJLIEXIRPHU-BXWFABGCSA-N 0 0 397.515 4.300 40 0 GIABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccccc2F)c1 ZINC000006263895 220925903 /nfs/dbraw/zinc/92/59/03/220925903.db2.gz YTXWHYUQYWRGEU-UHFFFAOYSA-N 0 0 393.871 4.345 40 0 GIABRN C[C@@H](CCCNC(=S)Nc1ccccc1)CNC(=S)Nc1ccccc1 ZINC000006275381 220926048 /nfs/dbraw/zinc/92/60/48/220926048.db2.gz CREWNCBVEPCSDU-INIZCTEOSA-N 0 0 386.590 4.376 40 0 GIABRN COc1ccc([C@H]2N=C(SC)NC(C)=C2C(=O)Nc2ccccc2C)cc1 ZINC000006861079 220972430 /nfs/dbraw/zinc/97/24/30/220972430.db2.gz HHOPPGKYQRYTHS-LJQANCHMSA-N 0 0 381.501 4.280 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)COc3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000007759427 221010392 /nfs/dbraw/zinc/01/03/92/221010392.db2.gz VDPUQSSQNMQUFW-UHFFFAOYSA-N 0 0 393.487 4.380 40 0 GIABRN Cc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)n2)c1 ZINC000007780978 221011558 /nfs/dbraw/zinc/01/15/58/221011558.db2.gz QMHQCVNPLLTMDI-AWEZNQCLSA-N 0 0 385.851 4.091 40 0 GIABRN CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1[C@@H](C)Oc1ccccc1 ZINC000008090312 221025701 /nfs/dbraw/zinc/02/57/01/221025701.db2.gz BLAQKDFFIGELNU-MRXNPFEDSA-N 0 0 396.516 4.477 40 0 GIABRN COc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000007971285 221017415 /nfs/dbraw/zinc/01/74/15/221017415.db2.gz BVEOXFJDSGZCDW-UHFFFAOYSA-N 0 0 386.879 4.148 40 0 GIABRN CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C)c1C ZINC000008816036 221060472 /nfs/dbraw/zinc/06/04/72/221060472.db2.gz BIJBRUJXEXESPL-HXUWFJFHSA-N 0 0 379.460 4.081 40 0 GIABRN CC(=O)O[C@H]1CC[C@H]2[C@H]3[C@@H](C)C4=C[C@@H](OC(C)=O)CC[C@](C)(O4)[C@H]3CC[C@@]12C ZINC000008618937 221047624 /nfs/dbraw/zinc/04/76/24/221047624.db2.gz WUKVLOYVYZNWAP-DASNBJDUSA-N 0 0 390.520 4.395 40 0 GIABRN CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 ZINC000009525730 221084586 /nfs/dbraw/zinc/08/45/86/221084586.db2.gz QHLUUYKISKFHJE-ZDUSSCGKSA-N 0 0 391.254 4.188 40 0 GIABRN CCN(c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)S(C)(=O)=O ZINC000010008552 221095408 /nfs/dbraw/zinc/09/54/08/221095408.db2.gz NCSSIEOTACJMIE-UHFFFAOYSA-N 0 0 387.288 4.032 40 0 GIABRN C[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(F)cc1 ZINC000011399721 221114631 /nfs/dbraw/zinc/11/46/31/221114631.db2.gz MDQYUJIRZYAOAH-SNVBAGLBSA-N 0 0 386.648 4.498 40 0 GIABRN O=C(NCCc1ccccn1)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000012148000 221160729 /nfs/dbraw/zinc/16/07/29/221160729.db2.gz RENACBXHSMEZAE-UHFFFAOYSA-N 0 0 386.377 4.212 40 0 GIABRN CSc1cccc(NCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)c1 ZINC000012148009 221160834 /nfs/dbraw/zinc/16/08/34/221160834.db2.gz RACJQOCOELAZRC-UHFFFAOYSA-N 0 0 376.485 4.356 40 0 GIABRN Cc1cc(-c2cnc(N3CCC(c4ccncc4)CC3)nc2-c2ccco2)on1 ZINC000012089363 221149228 /nfs/dbraw/zinc/14/92/28/221149228.db2.gz OIIAXPJSHXXVCN-UHFFFAOYSA-N 0 0 387.443 4.479 40 0 GIABRN CC[C@@H](C)[C@@H](NC(=O)CCn1nc(C)cc1C)c1nc2cccnc2n1C(C)C ZINC000012114126 221151626 /nfs/dbraw/zinc/15/16/26/221151626.db2.gz FNDVGPLGLLFKBA-FOIQADDNSA-N 0 0 396.539 4.119 40 0 GIABRN COc1ccc(C2(NC(=O)c3cc(-c4ccccn4)n[nH]3)CCCCC2)cc1 ZINC000012116865 221151964 /nfs/dbraw/zinc/15/19/64/221151964.db2.gz GRBKQTSWURIDHP-UHFFFAOYSA-N 0 0 376.460 4.070 40 0 GIABRN CC(C)(C(=O)N1CCC[C@H]1c1nc(-c2cccnc2)n[nH]1)c1ccc(Cl)cc1 ZINC000012115778 221152328 /nfs/dbraw/zinc/15/23/28/221152328.db2.gz YJNAFHHUDNSESM-KRWDZBQOSA-N 0 0 395.894 4.161 40 0 GIABRN Cn1nc(C(F)(F)F)cc1[C@H]1CCCCCN1C(=O)c1cc(C2CC2)on1 ZINC000012119639 221152996 /nfs/dbraw/zinc/15/29/96/221152996.db2.gz UXHGPUFCPFTIFI-CYBMUJFWSA-N 0 0 382.386 4.062 40 0 GIABRN O=C1CCCN1c1ccc(NCc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)cc1 ZINC000012144109 221158996 /nfs/dbraw/zinc/15/89/96/221158996.db2.gz JBKSZOYWQBTUDK-UHFFFAOYSA-N 0 0 393.874 4.434 40 0 GIABRN CCn1cc(CC(=O)N2CCC(O)(c3cccc(C)c3)CC2)c2ccccc21 ZINC000012148707 221160659 /nfs/dbraw/zinc/16/06/59/221160659.db2.gz IRVGVLYKEHISAF-UHFFFAOYSA-N 0 0 376.500 4.022 40 0 GIABRN Cc1nn([C@@H](C)CC(=O)N2CCc3[nH]c4c(ccc(C)c4C)c3C2)c(C)c1C ZINC000012325744 221182265 /nfs/dbraw/zinc/18/22/65/221182265.db2.gz XQLFRASZMYMASP-AWEZNQCLSA-N 0 0 378.520 4.443 40 0 GIABRN Cc1ncc(-c2ccccn2)c(CN(Cc2ccccc2)C(=O)c2cccnc2)n1 ZINC000012338006 221183805 /nfs/dbraw/zinc/18/38/05/221183805.db2.gz QSPHZEGHWNRRRZ-UHFFFAOYSA-N 0 0 395.466 4.085 40 0 GIABRN COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NC(=O)CCn2nc(C)c(C)c2C)cc1 ZINC000012366632 221184662 /nfs/dbraw/zinc/18/46/62/221184662.db2.gz CTZQISWRVNXGSI-DVKRWUGUSA-N 0 0 395.547 4.296 40 0 GIABRN C[C@H](CC(=O)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1)C2)n1nnc2ccccc21 ZINC000012181196 221163054 /nfs/dbraw/zinc/16/30/54/221163054.db2.gz HLUZQYMCHWQOSW-XIHRNRATSA-N 0 0 392.478 4.459 40 0 GIABRN COc1cc(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)c2ccccc2n1 ZINC000012193394 221164882 /nfs/dbraw/zinc/16/48/82/221164882.db2.gz PQIJEOXSQHZRBL-UHFFFAOYSA-N 0 0 394.431 4.077 40 0 GIABRN CC[C@H](NC(=O)c1cc(=O)c2cc(C)c(C)cc2o1)c1c(C)nn(CC)c1C ZINC000012195479 221164952 /nfs/dbraw/zinc/16/49/52/221164952.db2.gz ZPFLOENHRWCDIW-KRWDZBQOSA-N 0 0 381.476 4.124 40 0 GIABRN CC(C)c1cc(C(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)cc2)n(C)n1 ZINC000012193138 221165507 /nfs/dbraw/zinc/16/55/07/221165507.db2.gz HONAARCWWPEIIJ-UHFFFAOYSA-N 0 0 379.416 4.317 40 0 GIABRN Cc1oc2ccc(O)cc2c1C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000012201253 221166968 /nfs/dbraw/zinc/16/69/68/221166968.db2.gz SBXVZLBLAKOYRA-UHFFFAOYSA-N 0 0 383.791 4.080 40 0 GIABRN Cc1ncc(CN2[C@@H]3CC[C@H]2Cc2c3cnc3cc(-c4cccc(C)c4)nn32)n1C ZINC000012221587 221169464 /nfs/dbraw/zinc/16/94/64/221169464.db2.gz WKMGNORSHHVILW-PGRDOPGGSA-N 0 0 398.514 4.008 40 0 GIABRN Cc1[nH]c2c(cccc2C(=O)N2CCC[C@](O)(c3ccc(F)cc3)CC2)c1C ZINC000012251749 221173029 /nfs/dbraw/zinc/17/30/29/221173029.db2.gz UKOFIHNKRMYNTP-HSZRJFAPSA-N 0 0 380.463 4.438 40 0 GIABRN COc1ccc(N(CCc2ccccn2)C(=O)c2cnc(C(C)(C)C)nc2)cc1 ZINC000012290491 221174270 /nfs/dbraw/zinc/17/42/70/221174270.db2.gz XLGUAXWNWCJGLV-UHFFFAOYSA-N 0 0 390.487 4.067 40 0 GIABRN CCOc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=S)N1Cc1ccc(OC)cc1 ZINC000012415958 221190432 /nfs/dbraw/zinc/19/04/32/221190432.db2.gz VMQQSURIROHROF-UWJYYQICSA-N 0 0 384.501 4.024 40 0 GIABRN COc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)Nc2ccccc2)cc1 ZINC000012655925 221218620 /nfs/dbraw/zinc/21/86/20/221218620.db2.gz VEPIYZVOZQPXMX-JWGURIENSA-N 0 0 386.451 4.413 40 0 GIABRN CCOC(=O)c1cccc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000013632422 221278535 /nfs/dbraw/zinc/27/85/35/221278535.db2.gz KQFIZEARTCNBLZ-UHFFFAOYSA-N 0 0 388.272 4.112 40 0 GIABRN CC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 ZINC000013684485 221281162 /nfs/dbraw/zinc/28/11/62/221281162.db2.gz DRRHTGFPQZWSGK-UHFFFAOYSA-N 0 0 392.455 4.351 40 0 GIABRN CC[C@@H](C(=O)Nc1cc(C)ccc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714119 221283364 /nfs/dbraw/zinc/28/33/64/221283364.db2.gz JQIITRADHDTKRD-SFHVURJKSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1ccccc1)S(C)(=O)=O ZINC000013711547 221283513 /nfs/dbraw/zinc/28/35/13/221283513.db2.gz UHQVLOXYDAYYNS-IBGZPJMESA-N 0 0 388.533 4.302 40 0 GIABRN CC[C@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1ccccc1)S(C)(=O)=O ZINC000013711545 221283561 /nfs/dbraw/zinc/28/35/61/221283561.db2.gz UHQVLOXYDAYYNS-LJQANCHMSA-N 0 0 388.533 4.302 40 0 GIABRN O=C(COc1ccccc1Cl)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000014002860 221295501 /nfs/dbraw/zinc/29/55/01/221295501.db2.gz ICKDKGBNHCTVOU-UHFFFAOYSA-N 0 0 386.879 4.374 40 0 GIABRN O=C(Cc1cccs1)N[C@@H]1CCCc2c1cnn2Cc1cccc(Cl)c1 ZINC000013992468 221296011 /nfs/dbraw/zinc/29/60/11/221296011.db2.gz FTWCEPGVLALBFN-GOSISDBHSA-N 0 0 385.920 4.383 40 0 GIABRN COc1cc(OC)cc(-c2nnc3c4c5c(sc4ncn32)C[C@@H](C)CC5)c1 ZINC000015084395 221332258 /nfs/dbraw/zinc/33/22/58/221332258.db2.gz MVLZNJZHTCOJEC-NSHDSACASA-N 0 0 380.473 4.148 40 0 GIABRN C[C@@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000015197664 221333438 /nfs/dbraw/zinc/33/34/38/221333438.db2.gz MSEBOEAFMNSXNM-CYBMUJFWSA-N 0 0 397.949 4.103 40 0 GIABRN COc1ccc(OC)c([C@H](C)NC(=O)CSCc2ccc(Cl)cc2)c1 ZINC000015378288 221334764 /nfs/dbraw/zinc/33/47/64/221334764.db2.gz NCFQYXIXZYBZER-ZDUSSCGKSA-N 0 0 379.909 4.468 40 0 GIABRN CN(C)C(=O)c1sc(Sc2ccc(Cl)cc2)nc1Br ZINC000015444393 221335907 /nfs/dbraw/zinc/33/59/07/221335907.db2.gz OVRNOHABBASUSV-UHFFFAOYSA-N 0 0 377.716 4.412 40 0 GIABRN O=C(OCc1cccc(Cl)c1)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 ZINC000016398853 221362565 /nfs/dbraw/zinc/36/25/65/221362565.db2.gz VSMFLQLXCXUOQP-RTBURBONSA-N 0 0 397.858 4.377 40 0 GIABRN Cc1ccc(Cl)cc1N1CCN(C(=O)COc2cccc(Cl)c2)CC1 ZINC000015949890 221353675 /nfs/dbraw/zinc/35/36/75/221353675.db2.gz VGXPONGWXXLTAA-UHFFFAOYSA-N 0 0 379.287 4.029 40 0 GIABRN COc1cccc(OCc2nnc(SCC(=O)Nc3cc(C)ccc3C)o2)c1 ZINC000017227374 221381961 /nfs/dbraw/zinc/38/19/61/221381961.db2.gz BQEZUUIIMKIUHB-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN O=[N+]([O-])C(=C\c1ccccc1)/C(=C(\Br)[N+](=O)[O-])c1ccccc1 ZINC000016952547 221373313 /nfs/dbraw/zinc/37/33/13/221373313.db2.gz AMJSDWFVTLSWMP-BGINDXNBSA-N 0 0 375.178 4.345 40 0 GIABRN CC(=O)[C@@]1(c2ccccc2)N(C(=O)c2ccccc2)[C@]1(C)C(=O)c1ccccc1 ZINC000016957334 221374475 /nfs/dbraw/zinc/37/44/75/221374475.db2.gz VLXVKEBXCMSSFW-DUGVZXTISA-N 0 0 383.447 4.269 40 0 GIABRN CCCCc1ccc(C(=O)N2CCC(n3c4ccccc4n(C)c3=O)CC2)cc1 ZINC000017043956 221376567 /nfs/dbraw/zinc/37/65/67/221376567.db2.gz PVMCZFUQEHJEIT-UHFFFAOYSA-N 0 0 391.515 4.160 40 0 GIABRN C[C@H]1C[C@@H](NC(=O)[C@@]2(C)CC2(Br)Br)CC(C)(C)C1 ZINC000017077895 221377657 /nfs/dbraw/zinc/37/76/57/221377657.db2.gz WSBIMAVZWQQWPS-OPQQBVKSSA-N 0 0 381.152 4.214 40 0 GIABRN COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc(C)cc1 ZINC000019135553 221398940 /nfs/dbraw/zinc/39/89/40/221398940.db2.gz TWFLHFVKZJLEDC-HXUWFJFHSA-N 0 0 375.472 4.056 40 0 GIABRN COc1cc(C)ccc1CN1CCCC[C@H]1c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019134034 221399612 /nfs/dbraw/zinc/39/96/12/221399612.db2.gz HGNSLEBTHSBBSA-FQEVSTJZSA-N 0 0 390.487 4.288 40 0 GIABRN Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H](CC(C)C)N(c3ccccc3)O[C@@H]2C1=O ZINC000018036613 221385996 /nfs/dbraw/zinc/38/59/96/221385996.db2.gz JUUJKPHJIMKYQY-AQNXPRMDSA-N 0 0 398.890 4.373 40 0 GIABRN Cc1ccc(CN(C)C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000018084093 221387473 /nfs/dbraw/zinc/38/74/73/221387473.db2.gz ZTMWFKXYKILJCS-UHFFFAOYSA-N 0 0 394.496 4.068 40 0 GIABRN CC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1ccccc1 ZINC000019017901 221394301 /nfs/dbraw/zinc/39/43/01/221394301.db2.gz UMCHGASTYYGMKZ-DNVJHFABSA-N 0 0 376.500 4.086 40 0 GIABRN CN(C[C@@H]1OCCc2ccccc21)C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 ZINC000019082395 221396032 /nfs/dbraw/zinc/39/60/32/221396032.db2.gz HOZNFZOBLYWVEC-JXFKEZNVSA-N 0 0 382.504 4.212 40 0 GIABRN CC(C)(C)C(=O)N1CCC[C@](Cc2ccc(-c3ccccc3F)cc2)(C(N)=O)C1 ZINC000019081136 221396674 /nfs/dbraw/zinc/39/66/74/221396674.db2.gz OTIYZNUIELRRKP-XMMPIXPASA-N 0 0 396.506 4.175 40 0 GIABRN Cc1cc(C(F)F)nn1[C@H](C)C(=O)N[C@H](Cc1ccsc1)c1ccccn1 ZINC000019119073 221397403 /nfs/dbraw/zinc/39/74/03/221397403.db2.gz VJGJCCOWPDLXGT-CZUORRHYSA-N 0 0 390.459 4.247 40 0 GIABRN Cc1cc2sc(NC(=O)c3cccc(Cn4cncn4)c3)nc2cc1Cl ZINC000019125815 221397970 /nfs/dbraw/zinc/39/79/70/221397970.db2.gz IMVZLMGSDOVGRA-UHFFFAOYSA-N 0 0 383.864 4.150 40 0 GIABRN O=C(N[C@H](CCc1ccccc1)c1ccc2c(c1)OCCO2)[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000019370984 221410971 /nfs/dbraw/zinc/41/09/71/221410971.db2.gz RWBIISKQZWQBNJ-NPDDRXJXSA-N 0 0 389.495 4.460 40 0 GIABRN Cc1nc2ccc(C(=O)N3CCC[C@H]3c3nnc(-c4ccccn4)o3)cc2s1 ZINC000019286568 221403380 /nfs/dbraw/zinc/40/33/80/221403380.db2.gz HAANLMNQOOVZNN-INIZCTEOSA-N 0 0 391.456 4.027 40 0 GIABRN Cc1ncsc1-c1nnc(C2CCN(C(=O)c3cccc(Cl)c3)CC2)o1 ZINC000019563161 221428421 /nfs/dbraw/zinc/42/84/21/221428421.db2.gz VIADIZBKQQRWCH-UHFFFAOYSA-N 0 0 388.880 4.175 40 0 GIABRN CC[C@H](C(=O)N[C@H](c1ccccc1)c1ccccc1OC)n1nc(C)cc1C ZINC000019499475 221417797 /nfs/dbraw/zinc/41/77/97/221417797.db2.gz JBQIXLKOOSDESP-IFMALSPDSA-N 0 0 377.488 4.365 40 0 GIABRN CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)CC(C)C)C1 ZINC000019528875 221422022 /nfs/dbraw/zinc/42/20/22/221422022.db2.gz ZZORSZGHRSUFNW-QHCPKHFHSA-N 0 0 398.572 4.359 40 0 GIABRN C[C@H](CC(=O)NCCc1ccc(C(F)(F)F)cc1)n1cnc2ccccc21 ZINC000019659841 221439012 /nfs/dbraw/zinc/43/90/12/221439012.db2.gz GMBTVSAKINSQSD-CQSZACIVSA-N 0 0 375.394 4.365 40 0 GIABRN CCc1cc(C(=O)Nc2ccc(C)cc2-c2cc(C)[nH]n2)c2c(C)noc2n1 ZINC000019714498 221445565 /nfs/dbraw/zinc/44/55/65/221445565.db2.gz MQSXYBFBYKAYTI-UHFFFAOYSA-N 0 0 375.432 4.353 40 0 GIABRN Cn1c2ccc(NC(=O)Cc3cccc4cccnc43)cc2nc1C(F)(F)F ZINC000019716235 221446339 /nfs/dbraw/zinc/44/63/39/221446339.db2.gz DFUBGEQPWXSHER-UHFFFAOYSA-N 0 0 384.361 4.322 40 0 GIABRN CC(C)c1ccc(-n2ccc3nc4ncnn4c(-c4ccccc4)c3c2=O)cc1 ZINC000019960165 221467169 /nfs/dbraw/zinc/46/71/69/221467169.db2.gz VPVJAWNIXQCECX-UHFFFAOYSA-N 0 0 381.439 4.219 40 0 GIABRN COc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1 ZINC000020144652 221474638 /nfs/dbraw/zinc/47/46/38/221474638.db2.gz NAUQXBUVVMUZTQ-UHFFFAOYSA-N 0 0 387.819 4.118 40 0 GIABRN O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccccc1 ZINC000020151476 221475554 /nfs/dbraw/zinc/47/55/54/221475554.db2.gz XJIMKGIXBHNEJA-UHFFFAOYSA-N 0 0 386.860 4.219 40 0 GIABRN COCCN1C(=O)S/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C1=O ZINC000409149132 533340784 /nfs/dbraw/zinc/34/07/84/533340784.db2.gz XWCVKXQZGAVWMZ-RVDMUPIBSA-N 0 0 396.390 4.179 40 0 GIABRN COc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)nn2)cc1Br ZINC000408527539 533353083 /nfs/dbraw/zinc/35/30/83/533353083.db2.gz GACBRTMWBZBUMW-UHFFFAOYSA-N 0 0 399.244 4.442 40 0 GIABRN COc1cccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@@]2(O)C(F)(F)F)c1 ZINC000409108616 533404830 /nfs/dbraw/zinc/40/48/30/533404830.db2.gz XFDJDAHFVRUBCT-ZBQZNYHESA-N 0 0 398.425 4.220 40 0 GIABRN COC(=O)CSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 ZINC000408748608 533584867 /nfs/dbraw/zinc/58/48/67/533584867.db2.gz BCDBBQPICSMJQP-UHFFFAOYSA-N 0 0 392.889 4.467 40 0 GIABRN COc1cc(C(=S)N2CCCC2)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409236412 533560892 /nfs/dbraw/zinc/56/08/92/533560892.db2.gz FXZSUFFRHTWJHP-UHFFFAOYSA-N 0 0 398.528 4.101 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCSCc2cccc(Cl)c2)cc1C ZINC000225383284 533601249 /nfs/dbraw/zinc/60/12/49/533601249.db2.gz GHRGSJJTXTXZFV-UHFFFAOYSA-N 0 0 399.965 4.177 40 0 GIABRN CCCCOc1ccc(NC(=O)CN2CCN(c3ccc(C)cc3C)CC2)cc1 ZINC000057720100 136153918 /nfs/dbraw/zinc/15/39/18/136153918.db2.gz QKSYWXSCQFCGMF-UHFFFAOYSA-N 0 0 395.547 4.243 40 0 GIABRN Cc1ccccc1OCc1nnc(SCC(=O)N2CCCc3ccccc32)o1 ZINC000000875875 136193045 /nfs/dbraw/zinc/19/30/45/136193045.db2.gz RBTQRIUEOSZMEC-UHFFFAOYSA-N 0 0 395.484 4.029 40 0 GIABRN CCCN1c2ccc(C(=O)Nc3c(C)cccc3CC)cc2S(=O)(=O)N=C1C ZINC000223111194 136205640 /nfs/dbraw/zinc/20/56/40/136205640.db2.gz NKKTYESDZCVFDJ-UHFFFAOYSA-N 0 0 399.516 4.147 40 0 GIABRN CCn1cc(C(=O)N[C@@H](C)c2ccc(SC)cc2)c(=O)c2cc(OC)ccc21 ZINC000022236079 221555380 /nfs/dbraw/zinc/55/53/80/221555380.db2.gz FDGQPVHQCISFFH-AWEZNQCLSA-N 0 0 396.512 4.243 40 0 GIABRN O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)Nc1nccs1 ZINC000035289684 221814096 /nfs/dbraw/zinc/81/40/96/221814096.db2.gz XYLABKCAHWHWPN-UHFFFAOYSA-N 0 0 398.488 4.411 40 0 GIABRN CC(C)c1nc2ccccc2c2nnc(SCC(=O)Nc3ccc(F)cc3)n21 ZINC000035314740 221817617 /nfs/dbraw/zinc/81/76/17/221817617.db2.gz DEUXMIACWNABTG-UHFFFAOYSA-N 0 0 395.463 4.271 40 0 GIABRN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000055648271 222023767 /nfs/dbraw/zinc/02/37/67/222023767.db2.gz BMAFVAKXALDLKD-UHFFFAOYSA-N 0 0 380.897 4.059 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccc(F)cc1 ZINC000057115680 222027975 /nfs/dbraw/zinc/02/79/75/222027975.db2.gz WCQXHNAQUFIUKW-UHFFFAOYSA-N 0 0 388.395 4.018 40 0 GIABRN COc1ccc(CN(C)C(=O)CCCOc2ccc(Cl)cc2)cc1OC ZINC000048170119 221981382 /nfs/dbraw/zinc/98/13/82/221981382.db2.gz AQQPPDRYWJIUIN-UHFFFAOYSA-N 0 0 377.868 4.175 40 0 GIABRN C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)C1 ZINC000054363496 222014056 /nfs/dbraw/zinc/01/40/56/222014056.db2.gz OFGZNMHISNWKLD-QMMMGPOBSA-N 0 0 387.126 4.177 40 0 GIABRN COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1 ZINC000059132922 222056709 /nfs/dbraw/zinc/05/67/09/222056709.db2.gz KPAWUWUPWBRFIC-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)COc3ccc(C)cc3)cc2)n1 ZINC000061198797 222061374 /nfs/dbraw/zinc/06/13/74/222061374.db2.gz KBDQZSIXPVLDPM-SFHVURJKSA-N 0 0 377.488 4.054 40 0 GIABRN Fc1cc(I)c(Br)c(F)c1Br ZINC000063339616 222068111 /nfs/dbraw/zinc/06/81/11/222068111.db2.gz XPQCGIRIQFOITE-UHFFFAOYSA-N 0 0 397.782 4.094 40 0 GIABRN CC1(C)[C@H](Cc2cc(-c3ccccc3)on2)C[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000067890257 222165703 /nfs/dbraw/zinc/16/57/03/222165703.db2.gz OXHPULIKZWTRPV-UTKZUKDTSA-N 0 0 396.512 4.277 40 0 biogenic,in-vitro GIABRN Ic1ccc(I)c2ccccc12 ZINC000071256642 222178439 /nfs/dbraw/zinc/17/84/39/222178439.db2.gz SZGRYHOWWRNMFJ-UHFFFAOYSA-N 0 0 379.966 4.049 40 0 GIABRN COc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccc(Cl)cc3)n2)c1 ZINC000072322120 222226557 /nfs/dbraw/zinc/22/65/57/222226557.db2.gz MGITZKMTMAHKRT-FQEVSTJZSA-N 0 0 383.879 4.312 40 0 biogenic,in-vitro GIABRN O=C(c1cccc2ncccc21)N1CCC(c2ncncc2-c2ccncc2)CC1 ZINC000072334738 222229840 /nfs/dbraw/zinc/22/98/40/222229840.db2.gz JNOIOFUISZQBGU-UHFFFAOYSA-N 0 0 395.466 4.107 40 0 GIABRN O=C(CCCc1nc2ccccc2s1)N1CCC(C(=O)c2cccnc2)CC1 ZINC000072346668 222232794 /nfs/dbraw/zinc/23/27/94/222232794.db2.gz VUBSZPIMPOVGDT-UHFFFAOYSA-N 0 0 393.512 4.136 40 0 GIABRN Cc1cccc(-c2cccc([C@H]3CCCN(CC(=O)Nc4nccs4)C3)n2)c1 ZINC000072348878 222235609 /nfs/dbraw/zinc/23/56/09/222235609.db2.gz VSKWASINCUEUDL-SFHVURJKSA-N 0 0 392.528 4.332 40 0 GIABRN CC(=O)Nc1cccc(-c2cccc([C@H]3CCCN(C(=O)C4CCC4)C3)n2)c1 ZINC000072349332 222236076 /nfs/dbraw/zinc/23/60/76/222236076.db2.gz MFYHZLYBHWWTAI-IBGZPJMESA-N 0 0 377.488 4.213 40 0 GIABRN Cn1ccnc1CN1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072350020 222236149 /nfs/dbraw/zinc/23/61/49/222236149.db2.gz VZAPARXRANANIE-GOSISDBHSA-N 0 0 380.923 4.439 40 0 GIABRN CCn1ccnc1CN1CCC(c2cccc(Cc3ccccc3F)n2)CC1 ZINC000072350289 222236481 /nfs/dbraw/zinc/23/64/81/222236481.db2.gz BJOBWYHSHMUDLB-UHFFFAOYSA-N 0 0 378.495 4.408 40 0 GIABRN O=C(Cc1cccnc1)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072349396 222236701 /nfs/dbraw/zinc/23/67/01/222236701.db2.gz MICBZKHSTGLWNB-HXUWFJFHSA-N 0 0 389.474 4.155 40 0 GIABRN O=C(c1ccncc1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072349166 222236849 /nfs/dbraw/zinc/23/68/49/222236849.db2.gz DDHDUJPBUYXODK-IBGZPJMESA-N 0 0 375.447 4.226 40 0 GIABRN Cc1nn(C)cc1C(=O)N1CCC[C@H](c2cc(Cc3ccccc3)cc(C)n2)C1 ZINC000072353985 222237875 /nfs/dbraw/zinc/23/78/75/222237875.db2.gz SNTLYCXIAIHBCP-NRFANRHFSA-N 0 0 388.515 4.043 40 0 GIABRN Cc1cccnc1Nc1ccc([C@H]2CCCN2C(=O)CC2(O)CCCCC2)nc1 ZINC000072353151 222238115 /nfs/dbraw/zinc/23/81/15/222238115.db2.gz LTDRHEYADWBWLI-HXUWFJFHSA-N 0 0 394.519 4.277 40 0 GIABRN Cc1ccccc1-c1cncc(C2CCN(CC(=O)NC3CCCCC3)CC2)n1 ZINC000072359410 222239149 /nfs/dbraw/zinc/23/91/49/222239149.db2.gz PMWQBNINKJBHTP-UHFFFAOYSA-N 0 0 392.547 4.080 40 0 GIABRN CC(=O)NCc1cnc([C@H]2CCCN2Cc2ccc(F)cc2)cc1C(F)(F)F ZINC000072355978 222239302 /nfs/dbraw/zinc/23/93/02/222239302.db2.gz PBCYRVRCGIXVQB-LJQANCHMSA-N 0 0 395.400 4.213 40 0 GIABRN Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)n1 ZINC000072356177 222239939 /nfs/dbraw/zinc/23/99/39/222239939.db2.gz DSMLMKMNAQBQOQ-GOSISDBHSA-N 0 0 394.906 4.377 40 0 GIABRN O=C(COc1ccccc1)N1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072358670 222239950 /nfs/dbraw/zinc/23/99/50/222239950.db2.gz IQKIKBWPNMVIRU-GOSISDBHSA-N 0 0 391.446 4.068 40 0 GIABRN O=C(c1ccc(F)cc1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072358476 222240037 /nfs/dbraw/zinc/24/00/37/222240037.db2.gz LHQAYNPFASAETE-KRWDZBQOSA-N 0 0 379.410 4.442 40 0 GIABRN COc1ccccc1Cc1cccc([C@@H]2CCCN2C(=O)c2scnc2C)n1 ZINC000072358087 222240065 /nfs/dbraw/zinc/24/00/65/222240065.db2.gz FJQPOWSLRCCNAT-IBGZPJMESA-N 0 0 393.512 4.423 40 0 GIABRN Cc1ccc(C(=O)N2CCC[C@H](c3cncc(Oc4ccccc4F)n3)C2)cn1 ZINC000072362689 222241190 /nfs/dbraw/zinc/24/11/90/222241190.db2.gz YHYWODOAOZEZDM-KRWDZBQOSA-N 0 0 392.434 4.131 40 0 GIABRN Cc1cnc(Nc2cc([C@@H]3CCCN3C(=O)Cc3ccccc3)nc(C)n2)s1 ZINC000072359906 222241446 /nfs/dbraw/zinc/24/14/46/222241446.db2.gz FHCQMKZMFGBLMT-SFHVURJKSA-N 0 0 393.516 4.200 40 0 GIABRN O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(n2cnc3cccnc32)CC1 ZINC000072366013 222241595 /nfs/dbraw/zinc/24/15/95/222241595.db2.gz VEAGIWBWFYOTKM-UHFFFAOYSA-N 0 0 379.851 4.043 40 0 GIABRN CC1=C(C)C[C@H](C(=O)N2CCC(c3ccc(Nc4ncccn4)cn3)CC2)CC1 ZINC000072374362 222242352 /nfs/dbraw/zinc/24/23/52/222242352.db2.gz HYWGORLAADQXKL-LJQANCHMSA-N 0 0 391.519 4.458 40 0 GIABRN O=C(C1CCCC1)N1CC[C@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371376 222242911 /nfs/dbraw/zinc/24/29/11/222242911.db2.gz OKTNYKVICAGALH-INIZCTEOSA-N 0 0 387.911 4.191 40 0 GIABRN CCc1nnc(Nc2cccc([C@@H]3CCCN3C(=O)c3ccccc3)n2)s1 ZINC000072375135 222243231 /nfs/dbraw/zinc/24/32/31/222243231.db2.gz DFRPTSYKVRXLJL-INIZCTEOSA-N 0 0 379.489 4.216 40 0 GIABRN O=C(COc1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000072375604 222243281 /nfs/dbraw/zinc/24/32/81/222243281.db2.gz OPENBUZGBBHDRE-QGZVFWFLSA-N 0 0 398.463 4.163 40 0 GIABRN Cc1cc(C)nc(Nc2cncc([C@H]3CCCN3Cc3ccccc3F)n2)n1 ZINC000072376206 222244469 /nfs/dbraw/zinc/24/44/69/222244469.db2.gz OEUQSLYIQAJHEN-LJQANCHMSA-N 0 0 378.455 4.103 40 0 GIABRN O=C(CCc1ccc(Cl)cc1)N1CCC[C@@H]1c1cc(Nc2ccccn2)n[nH]1 ZINC000072378174 222244883 /nfs/dbraw/zinc/24/48/83/222244883.db2.gz BOLQPJWYVQASLD-GOSISDBHSA-N 0 0 395.894 4.498 40 0 GIABRN Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2C(=O)Cc2ccccc2)n1 ZINC000072376885 222245018 /nfs/dbraw/zinc/24/50/18/222245018.db2.gz IFQWRHLKCLCHMY-HXUWFJFHSA-N 0 0 390.462 4.161 40 0 GIABRN Cc1ccc(-c2cccc(C[C@@]3(C(=O)N(C)C)CCN(C(=O)C(C)C)C3)c2)cc1 ZINC000072390548 222246390 /nfs/dbraw/zinc/24/63/90/222246390.db2.gz NOFVTMNTDWOMKY-VWLOTQADSA-N 0 0 392.543 4.167 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2nc(C)cc(Oc3ccccc3C)n2)o1 ZINC000072384111 222247307 /nfs/dbraw/zinc/24/73/07/222247307.db2.gz WBEODOKNWFRFLY-QGZVFWFLSA-N 0 0 392.459 4.468 40 0 GIABRN CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)C2CCC2)C1 ZINC000072391258 222249310 /nfs/dbraw/zinc/24/93/10/222249310.db2.gz YKDKTXLRCIIJQT-RUZDIDTESA-N 0 0 390.527 4.051 40 0 GIABRN CCC(CC)C(=O)N1CC[C@@](Cc2ccccc2-c2cccc(C)c2)(C(N)=O)C1 ZINC000072391071 222249425 /nfs/dbraw/zinc/24/94/25/222249425.db2.gz IKBNEFVTZNVUQI-VWLOTQADSA-N 0 0 392.543 4.345 40 0 GIABRN FC(F)(F)c1nnc2sc(-c3cc(Br)ccc3Cl)nn21 ZINC000073634371 222270903 /nfs/dbraw/zinc/27/09/03/222270903.db2.gz WLLCZMVXCIIOFT-UHFFFAOYSA-N 0 0 383.580 4.288 40 0 GIABRN Cc1ccccc1NC(=O)N1CCc2nc(NC(=O)NC3CCCC3)sc2C1 ZINC000077099818 222272937 /nfs/dbraw/zinc/27/29/37/222272937.db2.gz WOGYZPGPKNAPIQ-UHFFFAOYSA-N 0 0 399.520 4.106 40 0 GIABRN O=C1c2c(cccc2Br)CN1CCc1cccc(-c2ncccn2)c1 ZINC000095803965 222360403 /nfs/dbraw/zinc/36/04/03/222360403.db2.gz RSUFNOYQDURHIE-UHFFFAOYSA-N 0 0 394.272 4.105 40 0 GIABRN CCCCN(CC)C(=O)[C@@H]1c2c(ncn2C(C)C)CCN1Cc1ccccc1 ZINC000096037526 222373312 /nfs/dbraw/zinc/37/33/12/222373312.db2.gz WFZTVSDHTJHCQR-QFIPXVFZSA-N 0 0 382.552 4.212 40 0 GIABRN COCCCNC(=O)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 ZINC000096037899 222374178 /nfs/dbraw/zinc/37/41/78/222374178.db2.gz ZVMPENHCRJFMOS-UHFFFAOYSA-N 0 0 393.468 4.385 40 0 GIABRN CCOCCCNC(=O)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 ZINC000096037798 222374711 /nfs/dbraw/zinc/37/47/11/222374711.db2.gz ZUQKWHKVGNLEFE-UHFFFAOYSA-N 0 0 391.427 4.306 40 0 GIABRN CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)c3cccs3)CC2)c2ccccc21 ZINC000096052650 222374780 /nfs/dbraw/zinc/37/47/80/222374780.db2.gz LUUGGRVYHYWAEN-KRWDZBQOSA-N 0 0 396.556 4.324 40 0 GIABRN COCCn1c(C(=O)NCc2ccncc2)cc2c1c1ccccc1n2C(C)C ZINC000096146352 222389361 /nfs/dbraw/zinc/38/93/61/222389361.db2.gz BBBIRRSVLCPZDT-UHFFFAOYSA-N 0 0 390.487 4.148 40 0 GIABRN CC(C)n1cnc2c1[C@H](C(=O)Nc1ccc(F)cc1)N(Cc1ccccc1)CC2 ZINC000096147224 222389440 /nfs/dbraw/zinc/38/94/40/222389440.db2.gz OPLHRTQKVKTDLI-JOCHJYFZSA-N 0 0 392.478 4.341 40 0 GIABRN COCCN(C)C(=O)c1ccc2onc(-c3coc(-c4ccc(C)cc4)n3)c2c1 ZINC000096154311 222391497 /nfs/dbraw/zinc/39/14/97/222391497.db2.gz FPAIETYLHJOVPY-UHFFFAOYSA-N 0 0 391.427 4.177 40 0 GIABRN COc1cccc(-c2ccc3c([C@H]4CCCN4Cc4ccncc4)nnn3c2)c1 ZINC000096156570 222392694 /nfs/dbraw/zinc/39/26/94/222392694.db2.gz SEUNLFWYSOAHBU-OAQYLSRUSA-N 0 0 385.471 4.137 40 0 GIABRN O=C(NCc1ccco1)c1ccn(-c2ccc3ccc(-c4ccccc4)cn32)n1 ZINC000096155330 222393207 /nfs/dbraw/zinc/39/32/07/222393207.db2.gz CXRAKVPGPXEXIE-UHFFFAOYSA-N 0 0 382.423 4.315 40 0 GIABRN CCCC/N=c1/sc(C(=O)Nc2ccc(Cl)cc2)cc(=O)n1CCCC ZINC000100163125 222457610 /nfs/dbraw/zinc/45/76/10/222457610.db2.gz CHHQIEIADXJKLJ-XUTLUUPISA-N 0 0 393.940 4.316 40 0 GIABRN CC[C@H](NC(=O)c1ccc(N(CC)S(=O)(=O)CC)cc1)c1ccc(C)cc1 ZINC000113971648 222522072 /nfs/dbraw/zinc/52/20/72/222522072.db2.gz KSIXNLDONJDTQO-FQEVSTJZSA-N 0 0 388.533 4.052 40 0 GIABRN COc1cc(CNC(=O)CCSc2ccc(Cl)cc2)cc(OC)c1OC ZINC000008361525 533834921 /nfs/dbraw/zinc/83/49/21/533834921.db2.gz YMVUQGWVIQVBEB-UHFFFAOYSA-N 0 0 395.908 4.164 40 0 GIABRN COc1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)cc1 ZINC000409150652 534087995 /nfs/dbraw/zinc/08/79/95/534087995.db2.gz CUCDPGOAJLKVPT-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN COc1ccccc1NC(=O)CSc1nc(C)cc(-c2ccc(C)cc2)n1 ZINC000409387076 534173680 /nfs/dbraw/zinc/17/36/80/534173680.db2.gz ZHMYWLACJADWDU-UHFFFAOYSA-N 0 0 379.485 4.500 40 0 GIABRN Cc1ccc(NC(=O)Cc2nnc(SCc3ccccc3Cl)n2C)cc1 ZINC000409338247 534177723 /nfs/dbraw/zinc/17/77/23/534177723.db2.gz GNAYGSUGHSQQKM-UHFFFAOYSA-N 0 0 386.908 4.250 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3)cc2)cc1 ZINC000409382908 534212751 /nfs/dbraw/zinc/21/27/51/534212751.db2.gz XPYHMAUPTHQAQG-UHFFFAOYSA-N 0 0 394.496 4.068 40 0 GIABRN Cc1ccc(-c2nnc(CN(C)C(=O)c3ccccc3Br)o2)cc1 ZINC000408714205 534222111 /nfs/dbraw/zinc/22/21/11/534222111.db2.gz LDSGNFQMWXOQLA-UHFFFAOYSA-N 0 0 386.249 4.080 40 0 GIABRN CCC(=O)N1CC[C@@](Cc2ccc(-c3ccccc3)cc2)(C(=O)NC(C)C)C1 ZINC000019498404 517530267 /nfs/dbraw/zinc/53/02/67/517530267.db2.gz OEXWXCIELMWOAJ-DEOSSOPVSA-N 0 0 378.516 4.049 40 0 GIABRN O=C(Nc1cccc(Br)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000005671030 534323720 /nfs/dbraw/zinc/32/37/20/534323720.db2.gz AIYNDLNGTUQZFR-NSHDSACASA-N 0 0 393.668 4.094 40 0 GIABRN COc1cccc(C(=O)N2CCC[C@H]2c2ccc(-c3c(C)noc3C)cn2)c1 ZINC000257343273 518163458 /nfs/dbraw/zinc/16/34/58/518163458.db2.gz ZSGHPPYTDOHFDV-FQEVSTJZSA-N 0 0 377.444 4.339 40 0 GIABRN COc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000000792513 518169484 /nfs/dbraw/zinc/16/94/84/518169484.db2.gz CVFOYJUNMYYOJH-UHFFFAOYSA-N 0 0 394.515 4.484 40 0 GIABRN O=C(Nc1cccc(NC(=S)NC(=O)c2cccc(F)c2)c1)c1cccs1 ZINC000408621171 534359101 /nfs/dbraw/zinc/35/91/01/534359101.db2.gz LHMAODORRWDGPB-UHFFFAOYSA-N 0 0 399.472 4.266 40 0 GIABRN FC(F)(F)c1cc(Nc2c(Cl)cccc2C(F)(F)F)nc(NC2CC2)n1 ZINC000329062929 534413583 /nfs/dbraw/zinc/41/35/83/534413583.db2.gz XAUDRSGDZDJAPC-UHFFFAOYSA-N 0 0 396.722 4.329 40 0 GIABRN Cc1ccsc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O ZINC000409246946 534455244 /nfs/dbraw/zinc/45/52/44/534455244.db2.gz LNHMWICAXUICTC-RIYZIHGNSA-N 0 0 392.889 4.385 40 0 GIABRN S=C(c1ccccc1Oc1ccc(Br)cc1)N1CCOCC1 ZINC000408724071 534461568 /nfs/dbraw/zinc/46/15/68/534461568.db2.gz DPXSVDWWADZLLV-UHFFFAOYSA-N 0 0 378.291 4.249 40 0 GIABRN Cc1ccc2nsnc2c1NC(=S)NC(=O)c1cc(Cl)ccc1Cl ZINC000057316217 534526342 /nfs/dbraw/zinc/52/63/42/534526342.db2.gz JIEMRSVQRYVYNF-UHFFFAOYSA-N 0 0 397.312 4.433 40 0 GIABRN COc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)cc1Cl ZINC000020142286 523746617 /nfs/dbraw/zinc/74/66/17/523746617.db2.gz QNWQTZCIBXFRAC-UHFFFAOYSA-N 0 0 387.819 4.362 40 0 GIABRN Cc1cccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1 ZINC000409178942 534745724 /nfs/dbraw/zinc/74/57/24/534745724.db2.gz KWRHEKNICGIPDH-UHFFFAOYSA-N 0 0 380.469 4.072 40 0 GIABRN Cc1cccc(OCC(=O)Nc2ccc(I)cc2F)c1C ZINC000408624751 534750798 /nfs/dbraw/zinc/75/07/98/534750798.db2.gz ZPYPUVKSFFWMQL-UHFFFAOYSA-N 0 0 399.203 4.065 40 0 GIABRN O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000408707511 534840018 /nfs/dbraw/zinc/84/00/18/534840018.db2.gz JXYGMDSPPMOXIE-OAHLLOKOSA-N 0 0 388.389 4.186 40 0 GIABRN CC(=O)Nc1ccc(OCC(=O)Nc2ccc(Br)cc2Cl)cc1 ZINC000103712156 527018596 /nfs/dbraw/zinc/01/85/96/527018596.db2.gz KUNNOPOOCOAZEJ-UHFFFAOYSA-N 0 0 397.656 4.078 40 0 GIABRN O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000000783857 527230184 /nfs/dbraw/zinc/23/01/84/527230184.db2.gz DPNFTSZUABUODU-UHFFFAOYSA-N 0 0 384.785 4.448 40 0 GIABRN CC(=O)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000408667870 527400064 /nfs/dbraw/zinc/40/00/64/527400064.db2.gz QMUNQGOADCLKAE-GFCCVEGCSA-N 0 0 392.238 4.155 40 0 GIABRN FC(F)(F)c1cc(NCc2ccccc2Cl)nc(NC2CCCCC2)n1 ZINC000329010815 527679991 /nfs/dbraw/zinc/67/99/91/527679991.db2.gz MBZOIJIPLUKTJQ-UHFFFAOYSA-N 0 0 384.833 4.349 40 0 GIABRN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(C(=O)Nc3ccccc3F)cc1)C2=O ZINC000408721878 527895812 /nfs/dbraw/zinc/89/58/12/527895812.db2.gz MHUGFCXTYSHWRR-QMHKHESXSA-N 0 0 394.446 4.394 40 0 GIABRN CCCCCC(=O)NC(=S)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000408628493 528104716 /nfs/dbraw/zinc/10/47/16/528104716.db2.gz UGAHKPMDGSTGHF-UHFFFAOYSA-N 0 0 383.517 4.261 40 0 GIABRN CCCCCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)COc2ccc(F)cc2)N1 ZINC000409352417 528116896 /nfs/dbraw/zinc/11/68/96/528116896.db2.gz ZWOJHQPSDPQJHX-QGZVFWFLSA-N 0 0 390.377 4.014 40 0 GIABRN CCCN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)NC1=S ZINC000409078905 528162052 /nfs/dbraw/zinc/16/20/52/528162052.db2.gz DWUFZKFJFXXTID-ATVHPVEESA-N 0 0 386.904 4.387 40 0 GIABRN CCCN1C(=O)N/C(=C/c2ccc(-c3cccc(Br)c3)o2)C1=O ZINC000409226358 528174916 /nfs/dbraw/zinc/17/49/16/528174916.db2.gz NCWHUHZORRIFCG-GXDHUFHOSA-N 0 0 375.222 4.012 40 0 GIABRN CCOc1cc(/C=C2\N=C(c3cc(Cl)ccc3OC)OC2=O)ccc1OC ZINC000409003911 528196860 /nfs/dbraw/zinc/19/68/60/528196860.db2.gz MEZNEEUWTQTQPM-DHDCSXOGSA-N 0 0 387.819 4.100 40 0 GIABRN CCOc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)ccc1OCC(C)C ZINC000409090222 528197188 /nfs/dbraw/zinc/19/71/88/528197188.db2.gz LIDJEJCXAFNCMB-PDGQHHTCSA-N 0 0 386.492 4.346 40 0 GIABRN CC(C)c1ccccc1NC(=O)[C@H]1CSCN1C(=O)OCc1ccccc1 ZINC000408736417 528199505 /nfs/dbraw/zinc/19/95/05/528199505.db2.gz BXFYPAAAWZXBLG-LJQANCHMSA-N 0 0 384.501 4.460 40 0 GIABRN CCOc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1OCC ZINC000409081449 528368417 /nfs/dbraw/zinc/36/84/17/528368417.db2.gz PDMTWYRFOZRSPA-LGMDPLHJSA-N 0 0 388.533 4.217 40 0 GIABRN CCOc1ccc(Cl)cc1/C=C1\NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000409069657 528471561 /nfs/dbraw/zinc/47/15/61/528471561.db2.gz WRYZTZNMUSPGBH-DHDCSXOGSA-N 0 0 377.227 4.489 40 0 GIABRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(C)c3)C2=O)cc1 ZINC000409104268 528507148 /nfs/dbraw/zinc/50/71/48/528507148.db2.gz GYOHFALSOXHLLP-LDADJPATSA-N 0 0 396.468 4.069 40 0 GIABRN CCOc1ccc(Nc2cc(-c3ccncc3)nc(N[C@@H](CO)C(C)C)n2)cc1 ZINC000329063407 528556867 /nfs/dbraw/zinc/55/68/67/528556867.db2.gz XEBFCGPYYSWMDG-FQEVSTJZSA-N 0 0 393.491 4.110 40 0 GIABRN CCCCOC(=O)CN1C(=O)S/C(=C/c2c(OC)ccc3ccccc32)C1=O ZINC000409208075 528560710 /nfs/dbraw/zinc/56/07/10/528560710.db2.gz APUKFSLKZRQULP-LDADJPATSA-N 0 0 399.468 4.228 40 0 GIABRN CCOc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1Cl ZINC000408587180 528588671 /nfs/dbraw/zinc/58/86/71/528588671.db2.gz RYUUBXLQRHCKEZ-UHFFFAOYSA-N 0 0 390.686 4.302 40 0 GIABRN CCCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 ZINC000408628820 528668731 /nfs/dbraw/zinc/66/87/31/528668731.db2.gz BQRCUWJPFLECIC-CYBMUJFWSA-N 0 0 386.517 4.403 40 0 GIABRN CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 ZINC000103718854 528708092 /nfs/dbraw/zinc/70/80/92/528708092.db2.gz QBVTXTATPANQPF-OAHLLOKOSA-N 0 0 386.879 4.429 40 0 GIABRN CCCOc1ccccc1C(=O)Nc1cccc(I)c1 ZINC000408587647 528767773 /nfs/dbraw/zinc/76/77/73/528767773.db2.gz SUQRJUACMPMKOU-UHFFFAOYSA-N 0 0 381.213 4.332 40 0 GIABRN CCCCc1nnc(SCC(=O)Nc2ccc(Br)cc2)n1CC ZINC000408560630 529055448 /nfs/dbraw/zinc/05/54/48/529055448.db2.gz MDLQLTVMCYLZCO-UHFFFAOYSA-N 0 0 397.342 4.134 40 0 GIABRN CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C)c(C)c1 ZINC000408988327 529102853 /nfs/dbraw/zinc/10/28/53/529102853.db2.gz HQHFNCXZUSXPRG-HXUWFJFHSA-N 0 0 379.460 4.081 40 0 GIABRN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(OC)cc2OC)c1 ZINC000057315590 529274223 /nfs/dbraw/zinc/27/42/23/529274223.db2.gz NIOAGPQUUYFWJH-LBPRGKRZSA-N 0 0 388.489 4.050 40 0 GIABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCCN1CCCc2ccccc21 ZINC000223004818 536044813 /nfs/dbraw/zinc/04/48/13/536044813.db2.gz RUPFVEMNGZSJSL-QHCPKHFHSA-N 0 0 380.532 4.420 40 0 GIABRN COc1ccc2cc(CNc3ccc(N4CCC(C)CC4)cc3)c(=O)[nH]c2c1 ZINC000013563022 537034814 /nfs/dbraw/zinc/03/48/14/537034814.db2.gz GNTJYMCSPCCDJY-UHFFFAOYSA-N 0 0 377.488 4.385 40 0 GIABRN C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000026964925 560091726 /nfs/dbraw/zinc/09/17/26/560091726.db2.gz QEEBRPGZBVVINN-JIYCZUTCSA-N 0 0 386.532 4.242 40 0 biogenic,in-vitro GIABRN O=C(Cc1csc(-c2ccccc2)n1)NCc1ccccc1N1CCCC1 ZINC000019718767 570209826 /nfs/dbraw/zinc/20/98/26/570209826.db2.gz YXGSTFCPWZMCJE-UHFFFAOYSA-N 0 0 377.513 4.269 40 0 GIABRN COCCn1c(C)c(C(=O)N(C)Cc2ccc3c(c2)C[C@H](C)O3)c2ccccc21 ZINC000019719118 570210227 /nfs/dbraw/zinc/21/02/27/570210227.db2.gz QECWCCYFSAUXNU-INIZCTEOSA-N 0 0 392.499 4.192 40 0 GIABRN Cc1noc(-c2ccccc2)c1CN1CCc2nc(-c3ccc(N)cc3)ncc2C1 ZINC000096125839 570210402 /nfs/dbraw/zinc/21/04/02/570210402.db2.gz KDXWTOPADLXBTI-UHFFFAOYSA-N 0 0 397.482 4.248 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(C2CC2)n1 ZINC000329012057 570212289 /nfs/dbraw/zinc/21/22/89/570212289.db2.gz MIELKSRGWRIELM-HNNXBMFYSA-N 0 0 398.404 4.106 40 0 GIABRN CSc1cccc(Nc2cc(-c3ccccc3)nc(N[C@@H](CO)C(C)C)n2)c1 ZINC000329021736 570213382 /nfs/dbraw/zinc/21/33/82/570213382.db2.gz OIGPOWAVSACZKY-FQEVSTJZSA-N 0 0 394.544 4.460 40 0 GIABRN Cc1cc(C)c(Nc2cc(-c3ccncc3)nc(N[C@H](CO)C(C)C)n2)c(C)c1 ZINC000329069047 570216741 /nfs/dbraw/zinc/21/67/41/570216741.db2.gz YUIFRJBDQICCQO-HXUWFJFHSA-N 0 0 391.519 4.058 40 0 GIABRN Fc1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)c(F)c1F ZINC000329070054 570216926 /nfs/dbraw/zinc/21/69/26/570216926.db2.gz ZDVQKWNSCFHQPB-UHFFFAOYSA-N 0 0 399.420 4.288 40 0 GIABRN CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)CC(C)C)CC2)c2ccccc21 ZINC000096242352 570222717 /nfs/dbraw/zinc/22/27/17/570222717.db2.gz MENBAMGFRZTHFS-IBGZPJMESA-N 0 0 384.564 4.339 40 0 GIABRN COc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C ZINC000205621887 570226406 /nfs/dbraw/zinc/22/64/06/570226406.db2.gz VDMAFNAQMRGBHU-RGEXLXHISA-N 0 0 392.480 4.475 40 0 GIABRN COc1cccc(-c2nnc(CSc3n[nH]c(-c4cccc(C)c4)n3)o2)c1 ZINC000019927573 570230199 /nfs/dbraw/zinc/23/01/99/570230199.db2.gz OHUCVGMLJZRZFQ-UHFFFAOYSA-N 0 0 379.445 4.131 40 0 GIABRN COc1cccc(-c2nnc(CSc3n[nH]c(-c4ccc(Cl)cc4)n3)o2)c1 ZINC000019928786 570230305 /nfs/dbraw/zinc/23/03/05/570230305.db2.gz IHBRGOUPAFWLLN-UHFFFAOYSA-N 0 0 399.863 4.476 40 0 GIABRN CCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1ccc(NC(C)=O)cc1 ZINC000019928674 570230342 /nfs/dbraw/zinc/23/03/42/570230342.db2.gz WKIQWSUZOUYMHH-UHFFFAOYSA-N 0 0 394.500 4.207 40 0 GIABRN COc1ccc(Cl)cc1-c1nnc(SCC(=O)N(C)c2ccccc2)o1 ZINC000019929155 570230582 /nfs/dbraw/zinc/23/05/82/570230582.db2.gz AOYBITIIHAKSCC-UHFFFAOYSA-N 0 0 389.864 4.154 40 0 GIABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1-n1ccnc1C ZINC000020041693 570237030 /nfs/dbraw/zinc/23/70/30/570237030.db2.gz KCCBDJRWUYMYPY-QFIPXVFZSA-N 0 0 377.488 4.271 40 0 GIABRN COc1ccc(S[C@H](C)C(=O)NCCSc2ccc(C)cc2)cc1OC ZINC000020045679 570237342 /nfs/dbraw/zinc/23/73/42/570237342.db2.gz YBWBWFHSZCPGDI-OAHLLOKOSA-N 0 0 391.558 4.401 40 0 GIABRN CC(C)CCC(=O)NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl ZINC000020151353 570244456 /nfs/dbraw/zinc/24/44/56/570244456.db2.gz SUFGWLKUAXWRKV-UHFFFAOYSA-N 0 0 380.897 4.342 40 0 GIABRN O=C(NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cccs1 ZINC000020152362 570244735 /nfs/dbraw/zinc/24/47/35/570244735.db2.gz VGMOUHQPDBCBBG-UHFFFAOYSA-N 0 0 392.889 4.281 40 0 GIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2cccc(F)c2)cc1 ZINC000005182810 570250452 /nfs/dbraw/zinc/25/04/52/570250452.db2.gz OBNIBOKYQKRMPN-FUDKSRODSA-N 0 0 383.463 4.343 40 0 GIABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)cc1C ZINC000020394533 570253771 /nfs/dbraw/zinc/25/37/71/570253771.db2.gz SDOYEAYGEOZXAN-UHFFFAOYSA-N 0 0 380.469 4.183 40 0 GIABRN Cc1ccc([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000020456421 570259129 /nfs/dbraw/zinc/25/91/29/570259129.db2.gz VKNVREQFPWKTGA-QGZVFWFLSA-N 0 0 394.496 4.287 40 0 GIABRN CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(-n2ccnc2C)cc1 ZINC000020456219 570259134 /nfs/dbraw/zinc/25/91/34/570259134.db2.gz WIFWEXWGOSIGAF-IBGZPJMESA-N 0 0 383.879 4.308 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1F ZINC000020457037 570259541 /nfs/dbraw/zinc/25/95/41/570259541.db2.gz IWCPAAVBBZEDNM-OAQYLSRUSA-N 0 0 385.460 4.211 40 0 GIABRN COc1ccc(S[C@@H](C)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000020458865 570260004 /nfs/dbraw/zinc/26/00/04/570260004.db2.gz GFPCVKZREQNQLV-NSHDSACASA-N 0 0 381.881 4.485 40 0 GIABRN Cc1cccc(Nc2cc(C3CCN(C(=O)/C=C/c4cccnc4)CC3)ccn2)n1 ZINC000585292649 570261983 /nfs/dbraw/zinc/26/19/83/570261983.db2.gz MIAOWKZZVPZNRK-BQYQJAHWSA-N 0 0 399.498 4.343 40 0 GIABRN Cc1nccn1-c1ccc(CNC(=O)CSCc2cc(C)cc(C)c2)cc1 ZINC000020484140 570262036 /nfs/dbraw/zinc/26/20/36/570262036.db2.gz SNAPBOIBOFBJRM-UHFFFAOYSA-N 0 0 379.529 4.347 40 0 GIABRN O=C(/C=C/c1cccnc1)N1CCC[C@H](Cc2ccnc(Nc3ccccn3)c2)C1 ZINC000585293192 570262210 /nfs/dbraw/zinc/26/22/10/570262210.db2.gz RVSCQVAKPNWRFU-MHNQQFQPSA-N 0 0 399.498 4.110 40 0 GIABRN Cc1cc(OCC(=O)NCc2ccc(OC(C)C)cc2)ccc1Br ZINC000020487282 570262414 /nfs/dbraw/zinc/26/24/14/570262414.db2.gz YDDQVGPNVXHPIF-UHFFFAOYSA-N 0 0 392.293 4.240 40 0 GIABRN O=C(c1ccc(CN2CCc3ccccc32)cc1)N1CCN(c2ccccc2)CC1 ZINC000020489763 570262784 /nfs/dbraw/zinc/26/27/84/570262784.db2.gz OAILZEQCZDIWOR-UHFFFAOYSA-N 0 0 397.522 4.212 40 0 GIABRN Cc1c(C(=O)NCc2cc3ccc(C)cc3[nH]c2=O)oc2c1C(=O)CC(C)(C)C2 ZINC000585294399 570263389 /nfs/dbraw/zinc/26/33/89/570263389.db2.gz DVWZTEMLYSJRMP-UHFFFAOYSA-N 0 0 392.455 4.235 40 0 GIABRN CCc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4C)cc3n2)cc1 ZINC000020610189 570272141 /nfs/dbraw/zinc/27/21/41/570272141.db2.gz CULGMTSINBTLLD-UHFFFAOYSA-N 0 0 386.455 4.309 40 0 GIABRN CCCCN1c2nc3ccccc3n2[C@H]([C@H]2CC=CCC2)[C@@H](C(=O)OCC)C1=O ZINC000020675269 570274724 /nfs/dbraw/zinc/27/47/24/570274724.db2.gz IXIAVJMBTOLWCN-PWIZWCRZSA-N 0 0 395.503 4.260 40 0 GIABRN Cc1ccc(Nc2nccc([C@H]3CC[C@H](CNC(=O)C4CCC4)CC3)n2)nc1 ZINC000100707545 570274943 /nfs/dbraw/zinc/27/49/43/570274943.db2.gz ZMIGHGMPNKCVME-CALCHBBNSA-N 0 0 379.508 4.114 40 0 GIABRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000101498635 570275071 /nfs/dbraw/zinc/27/50/71/570275071.db2.gz LYTPMNHCOJBEAF-CALCHBBNSA-N 0 0 399.535 4.158 40 0 GIABRN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)o2)cc1OC ZINC000006035690 570275415 /nfs/dbraw/zinc/27/54/15/570275415.db2.gz OPBHTMUPILWEJC-UHFFFAOYSA-N 0 0 399.472 4.101 40 0 GIABRN O=C(NC1CCCCC1)/C(=C\c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000211521327 570275858 /nfs/dbraw/zinc/27/58/58/570275858.db2.gz JWFOQUHTFBFNKF-PXLXIMEGSA-N 0 0 387.483 4.388 40 0 GIABRN O=c1c2ccccc2n2c(-c3cccc(F)c3)nnc2n1Cc1ccc(F)cc1 ZINC000006781191 570283933 /nfs/dbraw/zinc/28/39/33/570283933.db2.gz IGVWAXBQJRGKTL-UHFFFAOYSA-N 0 0 388.377 4.038 40 0 GIABRN CC(C)Cn1c2nnc(-c3ccc(Br)cc3)n2c2ccccc2c1=O ZINC000006781296 570284138 /nfs/dbraw/zinc/28/41/38/570284138.db2.gz NPPNLVKIZHIXBA-UHFFFAOYSA-N 0 0 397.276 4.130 40 0 GIABRN CC(=O)NC(=S)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000020968926 570288668 /nfs/dbraw/zinc/28/86/68/570288668.db2.gz PTVOGXZFEJEQST-UHFFFAOYSA-N 0 0 390.262 4.090 40 0 GIABRN COc1cccc(NC(=O)CSc2nnc(COc3ccc(C)c(C)c3)o2)c1 ZINC000216029981 570294948 /nfs/dbraw/zinc/29/49/48/570294948.db2.gz GWTHNVMSBNXGJE-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN O=C(COC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000021467247 570296020 /nfs/dbraw/zinc/29/60/20/570296020.db2.gz UWLGWJGVHCNACG-ARFHVFGLSA-N 0 0 385.460 4.036 40 0 GIABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3Br)CC2=O)cc1C ZINC000021450548 570296035 /nfs/dbraw/zinc/29/60/35/570296035.db2.gz AVPKULKJFURDJS-AWEZNQCLSA-N 0 0 387.277 4.058 40 0 GIABRN COc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1F ZINC000021954306 570299982 /nfs/dbraw/zinc/29/99/82/570299982.db2.gz SJDYDTQUHDXAPN-UHFFFAOYSA-N 0 0 375.450 4.230 40 0 GIABRN Cc1cccc(C(C)C)c1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000216382176 570300679 /nfs/dbraw/zinc/30/06/79/570300679.db2.gz LDEPMZIGJFMYPI-UHFFFAOYSA-N 0 0 380.897 4.396 40 0 GIABRN CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 ZINC000216473234 570302491 /nfs/dbraw/zinc/30/24/91/570302491.db2.gz SEUNZQLPCOLZTM-LSDHHAIUSA-N 0 0 389.517 4.461 40 0 GIABRN Cc1cc(-n2nc3cc(N)c(Br)cc3n2)c(C)cc1Br ZINC000575415191 570306308 /nfs/dbraw/zinc/30/63/08/570306308.db2.gz YJWKFYVYGGZVCG-UHFFFAOYSA-N 0 0 396.086 4.145 40 0 GIABRN COCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1 ZINC000107111465 570308674 /nfs/dbraw/zinc/30/86/74/570308674.db2.gz IIRDNARMCMGONN-UHFFFAOYSA-N 0 0 389.879 4.052 40 0 GIABRN CCn1cc(C(=O)N[C@H](C)c2ccc(Br)cc2)c(=O)c2ccccc21 ZINC000022234534 570308790 /nfs/dbraw/zinc/30/87/90/570308790.db2.gz JGYORCMVZDEHTR-CYBMUJFWSA-N 0 0 399.288 4.275 40 0 GIABRN COc1cc(NC(=O)c2sc(-c3cccnc3)nc2C)c(OC)cc1Cl ZINC000022237576 570309458 /nfs/dbraw/zinc/30/94/58/570309458.db2.gz OXOKYVNIKOBLQD-UHFFFAOYSA-N 0 0 389.864 4.436 40 0 GIABRN COc1ccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)c(OC)c1 ZINC000022245328 570310216 /nfs/dbraw/zinc/31/02/16/570310216.db2.gz VZDNDBJRLICFKL-UHFFFAOYSA-N 0 0 383.473 4.489 40 0 GIABRN CN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072214506 570314605 /nfs/dbraw/zinc/31/46/05/570314605.db2.gz RNIBKYMUBMHISJ-GOSISDBHSA-N 0 0 381.476 4.430 40 0 GIABRN N[C@@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1Cl ZINC000072227327 570318923 /nfs/dbraw/zinc/31/89/23/570318923.db2.gz ZHVYVMWKQMDEFG-KBPBESRZSA-N 0 0 386.076 4.171 40 0 GIABRN CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(OC)c2)cc1OCC ZINC000022521680 570319813 /nfs/dbraw/zinc/31/98/13/570319813.db2.gz GYEKZWWLUHVVJQ-HZPDHXFCSA-N 0 0 387.476 4.137 40 0 GIABRN CCOc1ccc(-c2nc(-c3ccc(Br)o3)n[nH]2)cc1OCC ZINC000085385250 570320142 /nfs/dbraw/zinc/32/01/42/570320142.db2.gz MCRPVVVEVMXFSQ-UHFFFAOYSA-N 0 0 378.226 4.292 40 0 GIABRN CCOc1ccc(-c2nnc(COc3ccc(F)cc3F)[nH]2)cc1OCC ZINC000085385228 570320220 /nfs/dbraw/zinc/32/02/20/570320220.db2.gz NVJKNBCORQIGOV-UHFFFAOYSA-N 0 0 375.375 4.126 40 0 GIABRN C[C@H](NC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000022540778 570321828 /nfs/dbraw/zinc/32/18/28/570321828.db2.gz XUBNQMCALNJUFY-INIZCTEOSA-N 0 0 392.430 4.221 40 0 GIABRN CC(C)Oc1ccc(NC(=O)c2cccc(I)c2)cc1 ZINC000048074052 570326564 /nfs/dbraw/zinc/32/65/64/570326564.db2.gz CCKBBLVMDIZEMV-UHFFFAOYSA-N 0 0 381.213 4.331 40 0 GIABRN COC(=O)c1ccc(NC(=O)c2sc3nc4cc(C)ccc4cc3c2N)cc1 ZINC000000786894 570328228 /nfs/dbraw/zinc/32/82/28/570328228.db2.gz KBINTMWQJRRYIC-UHFFFAOYSA-N 0 0 391.452 4.379 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccccc1Cl ZINC000218850847 570342088 /nfs/dbraw/zinc/34/20/88/570342088.db2.gz UDOBFQJJOZJKLD-MRXNPFEDSA-N 0 0 375.852 4.146 40 0 GIABRN Cc1ccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 ZINC000218975211 570344914 /nfs/dbraw/zinc/34/49/14/570344914.db2.gz RPYMQBSZHASGOB-CQSZACIVSA-N 0 0 385.851 4.124 40 0 GIABRN CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccc(OC)c(OC)c1 ZINC000219061195 570347176 /nfs/dbraw/zinc/34/71/76/570347176.db2.gz USXCLVQBVIMFEJ-CJNGLKHVSA-N 0 0 377.868 4.392 40 0 GIABRN COc1ccc(CCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1OC ZINC000219281884 570350631 /nfs/dbraw/zinc/35/06/31/570350631.db2.gz SCJJVGPTVRXXIU-GOSISDBHSA-N 0 0 383.488 4.363 40 0 GIABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 ZINC000219325551 570354712 /nfs/dbraw/zinc/35/47/12/570354712.db2.gz VDJDSRDXDUURAB-KRWDZBQOSA-N 0 0 385.851 4.172 40 0 GIABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000219334586 570355540 /nfs/dbraw/zinc/35/55/40/570355540.db2.gz DTZMFINBHXNTDZ-FQEVSTJZSA-N 0 0 393.487 4.478 40 0 GIABRN CC(C)c1ccc(-c2noc(CCC(=O)N3CCc4ccccc4C3)n2)cc1 ZINC000023391520 570360668 /nfs/dbraw/zinc/36/06/68/570360668.db2.gz PFKMEWLRHDUIKL-UHFFFAOYSA-N 0 0 375.472 4.378 40 0 GIABRN Cc1ccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1C ZINC000219523179 570365667 /nfs/dbraw/zinc/36/56/67/570365667.db2.gz SXNGCYXVTQZPCI-OAHLLOKOSA-N 0 0 399.878 4.433 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccc(C)cc1C ZINC000219534772 570365941 /nfs/dbraw/zinc/36/59/41/570365941.db2.gz HHYNLUSCCVYFGQ-LPHOPBHVSA-N 0 0 383.488 4.498 40 0 GIABRN CC[C@H](Oc1ccccc1F)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219581724 570369435 /nfs/dbraw/zinc/36/94/35/570369435.db2.gz ZBHWURFJKNDOBT-MSOLQXFVSA-N 0 0 387.451 4.410 40 0 GIABRN COc1cccc(CCN2CCOc3nc4c(C)cc(C)cc4cc3C2)c1OC ZINC000057718963 570371163 /nfs/dbraw/zinc/37/11/63/570371163.db2.gz AGPRERAVNGDYDK-UHFFFAOYSA-N 0 0 392.499 4.306 40 0 GIABRN Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000219687629 570373124 /nfs/dbraw/zinc/37/31/24/570373124.db2.gz ZRPDHZQKXWIZCG-GJZGRUSLSA-N 0 0 392.293 4.109 40 0 GIABRN CCCCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000004420631 570374670 /nfs/dbraw/zinc/37/46/70/570374670.db2.gz DZOSBVZSBOTTIS-UHFFFAOYSA-N 0 0 393.531 4.476 40 0 GIABRN CCCCC(=O)NC(=S)Nc1cc2nn(-c3ccc(CC)cc3)nc2cc1C ZINC000408625998 570377459 /nfs/dbraw/zinc/37/74/59/570377459.db2.gz GIYNGXXWJSPRLU-UHFFFAOYSA-N 0 0 395.532 4.295 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1C(=O)N1CCCCC1 ZINC000408626284 570378088 /nfs/dbraw/zinc/37/80/88/570378088.db2.gz VSLTXGZGYLQXPS-UHFFFAOYSA-N 0 0 392.908 4.075 40 0 GIABRN COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1 ZINC000408626466 570378790 /nfs/dbraw/zinc/37/87/90/570378790.db2.gz HLOIDSGQWVKHIQ-SDNWHVSQSA-N 0 0 395.528 4.212 40 0 GIABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2F)cc1 ZINC000408626839 570378990 /nfs/dbraw/zinc/37/89/90/570378990.db2.gz IUFHKCOPQRZKJT-UHFFFAOYSA-N 0 0 381.270 4.277 40 0 GIABRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccccc2O[C@H](C)CC)C1=O ZINC000006650503 570379825 /nfs/dbraw/zinc/37/98/25/570379825.db2.gz KUJSONCNJWFXTD-RFRKOGIWSA-N 0 0 391.489 4.244 40 0 GIABRN CCOc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000408627519 570380008 /nfs/dbraw/zinc/38/00/08/570380008.db2.gz NLGIKVSZALIQCO-UHFFFAOYSA-N 0 0 397.496 4.489 40 0 GIABRN CC(C)COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 ZINC000408629197 570381655 /nfs/dbraw/zinc/38/16/55/570381655.db2.gz PJTNRYKZGLMQDW-UHFFFAOYSA-N 0 0 386.517 4.403 40 0 GIABRN CCc1cccc(C)c1NC(=O)[C@H](CC)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220508425 570387493 /nfs/dbraw/zinc/38/74/93/570387493.db2.gz VJZSUDRCAPYBAX-IBGZPJMESA-N 0 0 388.533 4.049 40 0 GIABRN CC[C@H](C(=O)NC1CCCCCCC1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220545839 570388069 /nfs/dbraw/zinc/38/80/69/570388069.db2.gz WKBLKFVACLIJMU-LJQANCHMSA-N 0 0 394.581 4.077 40 0 GIABRN CC[C@@H](C(=O)Nc1ccccc1C(C)C)N(c1ccccc1F)S(C)(=O)=O ZINC000220595150 570388818 /nfs/dbraw/zinc/38/88/18/570388818.db2.gz QWXJPQAJXVSFOD-SFHVURJKSA-N 0 0 392.496 4.132 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C ZINC000222402538 570409878 /nfs/dbraw/zinc/40/98/78/570409878.db2.gz RSHYFMWZIVYOCO-HSZRJFAPSA-N 0 0 394.559 4.486 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222441979 570410854 /nfs/dbraw/zinc/41/08/54/570410854.db2.gz AMSLBLYNMOOFJJ-CQSZACIVSA-N 0 0 393.314 4.008 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C ZINC000222449172 570411298 /nfs/dbraw/zinc/41/12/98/570411298.db2.gz LTLKUZDDKHUULB-QHCPKHFHSA-N 0 0 394.559 4.486 40 0 GIABRN COc1ccc(CNC(=O)CSc2nc(C(C)(C)C)nc3ccccc32)cc1 ZINC000001342538 570413626 /nfs/dbraw/zinc/41/36/26/570413626.db2.gz RLEPDXCPSTWWEZ-UHFFFAOYSA-N 0 0 395.528 4.344 40 0 GIABRN Cc1ccccc1N(CCCC(=O)Nc1ccc(Cl)cc1C)S(C)(=O)=O ZINC000222552530 570414289 /nfs/dbraw/zinc/41/42/89/570414289.db2.gz IKDMHGCTEZMLLQ-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN O=C1S/C(=C/c2ccncc2)C(=O)N1Cc1ccccc1Br ZINC000006971826 570415400 /nfs/dbraw/zinc/41/54/00/570415400.db2.gz VNJHAWPIHRBVEF-NTEUORMPSA-N 0 0 375.247 4.081 40 0 GIABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)nc1 ZINC000222591803 570415712 /nfs/dbraw/zinc/41/57/12/570415712.db2.gz FYBOVJHZYROGGX-BEVDRBHNSA-N 0 0 375.501 4.165 40 0 GIABRN COc1cc(Cl)c([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC ZINC000222603597 570416290 /nfs/dbraw/zinc/41/62/90/570416290.db2.gz OEGBNFGSZGMKFW-NBHSMZAVSA-N 0 0 389.908 4.342 40 0 GIABRN COC(=O)c1cn(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000222607530 570416686 /nfs/dbraw/zinc/41/66/86/570416686.db2.gz BSGZGXJFQKARDG-UHFFFAOYSA-N 0 0 398.267 4.113 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 ZINC000222623387 570417231 /nfs/dbraw/zinc/41/72/31/570417231.db2.gz RGPPKKKANGDWGS-GCJKJVERSA-N 0 0 398.522 4.133 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1F ZINC000222626250 570417537 /nfs/dbraw/zinc/41/75/37/570417537.db2.gz BYRZPWACVNTCKU-XMSQKQJNSA-N 0 0 398.522 4.133 40 0 GIABRN C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)S1 ZINC000222626148 570417592 /nfs/dbraw/zinc/41/75/92/570417592.db2.gz LLKDZNAIGMDENH-KPOBHBOGSA-N 0 0 376.485 4.167 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)Cc1ccccc1F ZINC000222626316 570417611 /nfs/dbraw/zinc/41/76/11/570417611.db2.gz BYRZPWACVNTCKU-PGRDOPGGSA-N 0 0 398.522 4.133 40 0 GIABRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2O[C@H](C)CC)C1=O ZINC000007071559 570417685 /nfs/dbraw/zinc/41/76/85/570417685.db2.gz OIHOKDXHPGJETQ-HBPRWMASSA-N 0 0 391.489 4.242 40 0 GIABRN Cc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc3c(c1)OCCO3)CC(C)(C)O2 ZINC000222645021 570418439 /nfs/dbraw/zinc/41/84/39/570418439.db2.gz LBUSZEISMZZPQO-SFHVURJKSA-N 0 0 381.472 4.117 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C ZINC000222647003 570418503 /nfs/dbraw/zinc/41/85/03/570418503.db2.gz AMWCYLKVBGYORE-JOCHJYFZSA-N 0 0 398.522 4.317 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000222655659 570419005 /nfs/dbraw/zinc/41/90/05/570419005.db2.gz IVOXAPXSXFSLHK-QFIPXVFZSA-N 0 0 398.522 4.317 40 0 GIABRN C[C@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000222657396 570419314 /nfs/dbraw/zinc/41/93/14/570419314.db2.gz VIXXBBPTBQGFIA-WLVMFVESSA-N 0 0 375.424 4.469 40 0 GIABRN Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c(C)c1 ZINC000222673088 570419986 /nfs/dbraw/zinc/41/99/86/570419986.db2.gz CAJGXCCNHARMBO-LJQANCHMSA-N 0 0 396.531 4.014 40 0 GIABRN COc1ccccc1CN(C)C(=O)COc1ccc(Cl)cc1Br ZINC000004961402 570420193 /nfs/dbraw/zinc/42/01/93/570420193.db2.gz NSWUUAZXBBLKOD-UHFFFAOYSA-N 0 0 398.684 4.149 40 0 GIABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000222692921 570421054 /nfs/dbraw/zinc/42/10/54/570421054.db2.gz IBWYLIMAPMSDDE-HZPDHXFCSA-N 0 0 383.488 4.400 40 0 GIABRN COc1ccc(OC)c([C@H](c2nnnn2C2CCCCC2)N2CCC(C)CC2)c1 ZINC000004847710 570421504 /nfs/dbraw/zinc/42/15/04/570421504.db2.gz BFKKHFBFDIEKIX-OAQYLSRUSA-N 0 0 399.539 4.017 40 0 GIABRN Cc1ccc(C(C)C)c(OCC(=O)NCC2(c3ccccc3)CCOCC2)c1 ZINC000222721815 570422393 /nfs/dbraw/zinc/42/23/93/570422393.db2.gz PINATOQDJCEMTH-UHFFFAOYSA-N 0 0 381.516 4.362 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C ZINC000222730188 570422733 /nfs/dbraw/zinc/42/27/33/570422733.db2.gz XWOHOZJFHCUJQG-AWEZNQCLSA-N 0 0 393.314 4.008 40 0 GIABRN Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)ccc1Cl ZINC000222734390 570422948 /nfs/dbraw/zinc/42/29/48/570422948.db2.gz UALYJOGEFUIYGP-UONOGXRCSA-N 0 0 375.852 4.064 40 0 GIABRN O=C(NCc1ccc2ccccc2c1)c1ccc(I)cc1 ZINC000222751254 570424015 /nfs/dbraw/zinc/42/40/15/570424015.db2.gz YAKFZWPWIJDSFK-UHFFFAOYSA-N 0 0 387.220 4.374 40 0 GIABRN Cc1cc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C)ccc1Cl ZINC000222755396 570424123 /nfs/dbraw/zinc/42/41/23/570424123.db2.gz MIFZMUJLYSFEBF-OALUTQOASA-N 0 0 382.920 4.436 40 0 GIABRN Cc1cc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)ccc1Cl ZINC000222755214 570424137 /nfs/dbraw/zinc/42/41/37/570424137.db2.gz MIFZMUJLYSFEBF-RTBURBONSA-N 0 0 382.920 4.436 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222770975 570425003 /nfs/dbraw/zinc/42/50/03/570425003.db2.gz MLYANLWAFHGJDR-FQEVSTJZSA-N 0 0 394.559 4.486 40 0 GIABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000222825752 570427978 /nfs/dbraw/zinc/42/79/78/570427978.db2.gz JRRYJYVMPKBOCE-AWEZNQCLSA-N 0 0 393.314 4.437 40 0 GIABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000222824792 570427984 /nfs/dbraw/zinc/42/79/84/570427984.db2.gz RDOAZAUHCHRXFZ-MRXNPFEDSA-N 0 0 386.923 4.215 40 0 GIABRN CCCCNC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1 ZINC000222833052 570428164 /nfs/dbraw/zinc/42/81/64/570428164.db2.gz JCEBIJBHWPMOSH-UHFFFAOYSA-N 0 0 376.456 4.387 40 0 GIABRN Cc1ccc(CNC(=O)[C@H](C)N(Cc2ccc(Cl)cc2)C(=O)C(C)C)cc1 ZINC000222834513 570428214 /nfs/dbraw/zinc/42/82/14/570428214.db2.gz RZQPMCONZJJXMU-KRWDZBQOSA-N 0 0 386.923 4.338 40 0 GIABRN Cc1ccc(-c2nnc([N-]S(=O)(=O)Cc3ccc(Cl)cc3)s2)cc1 ZINC000222862711 570429186 /nfs/dbraw/zinc/42/91/86/570429186.db2.gz VUTLTKRWLJYIAA-UHFFFAOYSA-N 0 0 379.894 4.109 40 0 GIABRN COc1ccc(C(=O)N2CCc3ccc(NC(=O)Cc4ccccc4)cc32)cc1 ZINC000222937641 570432354 /nfs/dbraw/zinc/43/23/54/570432354.db2.gz JRKASGPLQIFORW-UHFFFAOYSA-N 0 0 386.451 4.079 40 0 GIABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 ZINC000222950117 570432921 /nfs/dbraw/zinc/43/29/21/570432921.db2.gz AMTMWFDDZHIIOM-VQTJNVASSA-N 0 0 377.517 4.040 40 0 GIABRN CCOc1ccc(/C=C2/SC(=O)N(CNc3ccccc3OC)C2=O)cc1 ZINC000005327586 570434292 /nfs/dbraw/zinc/43/42/92/570434292.db2.gz KDXRDTJOCVYZEK-LDADJPATSA-N 0 0 384.457 4.200 40 0 GIABRN Cc1cc(C)c(S(=O)(=O)N2CCc3cc(Br)ccc32)c(C)c1 ZINC000222973917 570434370 /nfs/dbraw/zinc/43/43/70/570434370.db2.gz XNBATLSBQBWZAL-UHFFFAOYSA-N 0 0 380.307 4.126 40 0 GIABRN CCOC(=O)c1nc2sc3c(c2c(Nc2cccc(OC)c2)n1)CCCC3 ZINC000005332690 570434407 /nfs/dbraw/zinc/43/44/07/570434407.db2.gz VXPDYEUFMXJARV-UHFFFAOYSA-N 0 0 383.473 4.499 40 0 GIABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 ZINC000222980241 570434837 /nfs/dbraw/zinc/43/48/37/570434837.db2.gz IFIPHFWHJIYYIH-NHCUHLMSSA-N 0 0 391.544 4.099 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000222995156 570435678 /nfs/dbraw/zinc/43/56/78/570435678.db2.gz NJNPHVWOYWZXFC-FQEVSTJZSA-N 0 0 380.532 4.180 40 0 GIABRN COP(=O)(OC)[C@@H](OC(=O)Nc1ccccc1)C(Cl)(Cl)Cl ZINC000002570509 570436831 /nfs/dbraw/zinc/43/68/31/570436831.db2.gz BKBXXSCKKXMADY-SECBINFHSA-N 0 0 376.560 4.417 40 0 GIABRN CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(Cl)c3Cl)ccc21 ZINC000223036723 570439042 /nfs/dbraw/zinc/43/90/42/570439042.db2.gz NOTBMZDYILCOMI-UHFFFAOYSA-N 0 0 399.299 4.093 40 0 GIABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C(C)C)c1C ZINC000223049079 570439807 /nfs/dbraw/zinc/43/98/07/570439807.db2.gz VKYASIMXSPCVRD-PMACEKPBSA-N 0 0 386.565 4.090 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)NC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000005461588 570440893 /nfs/dbraw/zinc/44/08/93/570440893.db2.gz DNIZBURLFZYHKJ-UHFFFAOYSA-N 0 0 381.215 4.132 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1 ZINC000223090250 570442380 /nfs/dbraw/zinc/44/23/80/570442380.db2.gz LYLHRKRIQGSNNG-HXUWFJFHSA-N 0 0 396.531 4.016 40 0 GIABRN C[C@H]1Cc2cccc3c2n1cc(C(=O)NCc1ccc(Cl)cc1Cl)c3=O ZINC000223094464 570442879 /nfs/dbraw/zinc/44/28/79/570442879.db2.gz ZWFFMRRPHQGXMP-NSHDSACASA-N 0 0 387.266 4.355 40 0 GIABRN CC[C@H](NS(=O)(=O)c1ccc(OC)c(F)c1)c1ccc2c(c1)CCCC2 ZINC000223094544 570443172 /nfs/dbraw/zinc/44/31/72/570443172.db2.gz JTUZHEKUPGLZQM-IBGZPJMESA-N 0 0 377.481 4.143 40 0 GIABRN CC(=O)N[C@@H](C)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000005515558 570444024 /nfs/dbraw/zinc/44/40/24/570444024.db2.gz XOGINIBFEOBXAM-VKHMYHEASA-N 0 0 379.454 4.384 40 0 GIABRN CCCCNC(=O)c1ccccc1NC(=O)COc1cccc2c1CCCC2 ZINC000223121284 570444768 /nfs/dbraw/zinc/44/47/68/570444768.db2.gz TVRSXPDBRNXKFD-UHFFFAOYSA-N 0 0 380.488 4.113 40 0 GIABRN CN1C(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccccc23)NC1=S ZINC000039556695 570445054 /nfs/dbraw/zinc/44/50/54/570445054.db2.gz OSPIZUGSZMUVHG-MFOYZWKCSA-N 0 0 399.878 4.170 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1 ZINC000223140273 570446271 /nfs/dbraw/zinc/44/62/71/570446271.db2.gz ASHJAKORCUYAFJ-HXUWFJFHSA-N 0 0 396.531 4.016 40 0 GIABRN CCOc1ccccc1N1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O ZINC000039918360 570447116 /nfs/dbraw/zinc/44/71/16/570447116.db2.gz AVXWBOHTQRIMSZ-CYBMUJFWSA-N 0 0 392.377 4.096 40 0 GIABRN COc1ccccc1C(=O)N/C(=C/c1ccc(C)o1)C(=O)Nc1ccccc1 ZINC000028048283 570450634 /nfs/dbraw/zinc/45/06/34/570450634.db2.gz FQXLKYVVNLFLNP-XMHGGMMESA-N 0 0 376.412 4.006 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1Br ZINC000028189122 570451883 /nfs/dbraw/zinc/45/18/83/570451883.db2.gz XRQOXTPBIQFLHA-UHFFFAOYSA-N 0 0 392.278 4.223 40 0 GIABRN Cc1csc(NC(=O)CSc2ncnc3c(-c4ccccc4)nsc32)n1 ZINC000035289458 570454535 /nfs/dbraw/zinc/45/45/35/570454535.db2.gz OVNREWRAQGCRPZ-UHFFFAOYSA-N 0 0 399.526 4.249 40 0 GIABRN O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)NCc1ccco1 ZINC000035289679 570455034 /nfs/dbraw/zinc/45/50/34/570455034.db2.gz GGXSLTNLBDKZMO-UHFFFAOYSA-N 0 0 395.459 4.225 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1C ZINC000223296537 570456797 /nfs/dbraw/zinc/45/67/97/570456797.db2.gz HZFKYOFRWIUODA-INIZCTEOSA-N 0 0 391.533 4.484 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 ZINC000223328868 570458591 /nfs/dbraw/zinc/45/85/91/570458591.db2.gz FVYICWBQYYZLEE-SFHVURJKSA-N 0 0 393.314 4.089 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1F ZINC000223340629 570459935 /nfs/dbraw/zinc/45/99/35/570459935.db2.gz DHGYSCGKJURBKD-AWEZNQCLSA-N 0 0 395.496 4.314 40 0 GIABRN O=C(c1ccco1)N1CCC(CCCC2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000005896622 570460775 /nfs/dbraw/zinc/46/07/75/570460775.db2.gz OSHOTROBCAPEJP-UHFFFAOYSA-N 0 0 398.503 4.448 40 0 GIABRN CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C1=O ZINC000008091540 570462474 /nfs/dbraw/zinc/46/24/74/570462474.db2.gz ZRCNJJGQCANOEQ-OVCLIPMQSA-N 0 0 395.217 4.234 40 0 GIABRN C[C@H]1[C@H](c2ccccc2O)c2cc3c(cc2O[C@@H]1NNc1ccccc1)OCO3 ZINC000005956721 570462966 /nfs/dbraw/zinc/46/29/66/570462966.db2.gz BBXMIJIOSXULBG-SBQFXOPASA-N 0 0 390.439 4.224 40 0 GIABRN Cc1c(NC(=S)Nc2ccccc2C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000006043899 570464789 /nfs/dbraw/zinc/46/47/89/570464789.db2.gz VSGIZAVEHGKJDV-UHFFFAOYSA-N 0 0 380.517 4.417 40 0 GIABRN Cc1nccn1-c1ccccc1CNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 ZINC000223431704 570465873 /nfs/dbraw/zinc/46/58/73/570465873.db2.gz DHXAPPYPSNHKMJ-KRWDZBQOSA-N 0 0 389.499 4.143 40 0 GIABRN CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C ZINC000223456622 570467060 /nfs/dbraw/zinc/46/70/60/570467060.db2.gz BYCZVCHJOLRPCR-NHCUHLMSSA-N 0 0 391.544 4.088 40 0 GIABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000223462714 570467376 /nfs/dbraw/zinc/46/73/76/570467376.db2.gz CJQKJAONVLYPQS-OAQYLSRUSA-N 0 0 398.572 4.073 40 0 GIABRN COC(=O)c1ccccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000029081598 570468159 /nfs/dbraw/zinc/46/81/59/570468159.db2.gz QZYOKDNAUHRYRS-UHFFFAOYSA-N 0 0 384.819 4.353 40 0 GIABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000223488525 570468234 /nfs/dbraw/zinc/46/82/34/570468234.db2.gz PUUWKCXYTDHJIO-SRHFCSSBSA-N 0 0 380.513 4.132 40 0 GIABRN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(N2CCCC2=O)cc1 ZINC000134263578 570469658 /nfs/dbraw/zinc/46/96/58/570469658.db2.gz KZTPPSRSJXNCNN-UHFFFAOYSA-N 0 0 398.875 4.238 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc(C)cc1 ZINC000223549521 570470726 /nfs/dbraw/zinc/47/07/26/570470726.db2.gz NWJMFGLNANFOND-IBGZPJMESA-N 0 0 398.572 4.090 40 0 GIABRN Cc1cc2oc(=O)cc(C)c2cc1OS(=O)(=O)c1cccc(Cl)c1Cl ZINC000006203402 570471808 /nfs/dbraw/zinc/47/18/08/570471808.db2.gz QVXDNMXUSKUBRV-UHFFFAOYSA-N 0 0 399.251 4.484 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 ZINC000223595924 570473595 /nfs/dbraw/zinc/47/35/95/570473595.db2.gz DXVZCJJBXVYKCX-IBGZPJMESA-N 0 0 398.572 4.339 40 0 GIABRN CC(C)Oc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 ZINC000223705832 570480080 /nfs/dbraw/zinc/48/00/80/570480080.db2.gz NWTXGMVJLMTXDJ-UHFFFAOYSA-N 0 0 389.517 4.056 40 0 GIABRN CC(C)Oc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 ZINC000223706447 570480181 /nfs/dbraw/zinc/48/01/81/570480181.db2.gz HOUQCKJAWFFNLI-UHFFFAOYSA-N 0 0 389.517 4.056 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000223718744 570481120 /nfs/dbraw/zinc/48/11/20/570481120.db2.gz AYAGRXNCSNKJIW-JOCHJYFZSA-N 0 0 394.559 4.302 40 0 GIABRN CC(C)(C)c1ccccc1OCCNC(=O)COc1ccc2c(c1)CCCC2 ZINC000223734782 570481776 /nfs/dbraw/zinc/48/17/76/570481776.db2.gz CUYGEORGEFCOBI-UHFFFAOYSA-N 0 0 381.516 4.437 40 0 GIABRN CCCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccncc1 ZINC000000796412 570482067 /nfs/dbraw/zinc/48/20/67/570482067.db2.gz JQHKXUFJEZYUNW-UHFFFAOYSA-N 0 0 381.505 4.098 40 0 GIABRN CCOc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 ZINC000223745877 570482529 /nfs/dbraw/zinc/48/25/29/570482529.db2.gz VJYASTFSHXQLHK-UHFFFAOYSA-N 0 0 389.517 4.010 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223753886 570483045 /nfs/dbraw/zinc/48/30/45/570483045.db2.gz HODOYTHERLTMEM-CQSZACIVSA-N 0 0 393.314 4.089 40 0 GIABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000223765562 570483460 /nfs/dbraw/zinc/48/34/60/570483460.db2.gz VNHHYBRXRNDURO-QFIPXVFZSA-N 0 0 381.516 4.325 40 0 GIABRN CCOc1ccc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)cc1Cl ZINC000006595885 570484514 /nfs/dbraw/zinc/48/45/14/570484514.db2.gz VCNRUROAXJIUMF-UHFFFAOYSA-N 0 0 392.952 4.168 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223814406 570485819 /nfs/dbraw/zinc/48/58/19/570485819.db2.gz GDTQVWWYSMRMHA-SFHVURJKSA-N 0 0 396.506 4.153 40 0 GIABRN CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 ZINC000223866206 570488078 /nfs/dbraw/zinc/48/80/78/570488078.db2.gz PBPWTORVMCJVPD-VQTJNVASSA-N 0 0 378.501 4.347 40 0 GIABRN C[C@@H](NC(=O)CCc1cccc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000223887028 570488972 /nfs/dbraw/zinc/48/89/72/570488972.db2.gz DUQHKXKKQFFRQT-MRXNPFEDSA-N 0 0 381.497 4.053 40 0 GIABRN COc1cc(C)c(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C(C)C ZINC000223895490 570489160 /nfs/dbraw/zinc/48/91/60/570489160.db2.gz VXYOCWXPONASEU-HNNXBMFYSA-N 0 0 389.517 4.022 40 0 GIABRN COc1ccc(S(=O)(=O)NCCCc2cccc3ccccc32)c(C)c1C ZINC000223901760 570489541 /nfs/dbraw/zinc/48/95/41/570489541.db2.gz FNVMZHVKZCRIDM-UHFFFAOYSA-N 0 0 383.513 4.376 40 0 GIABRN O=C(Nc1cccc(Cl)c1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223916006 570490141 /nfs/dbraw/zinc/49/01/41/570490141.db2.gz LPMFYEVODXWKJV-UHFFFAOYSA-N 0 0 386.860 4.393 40 0 GIABRN COc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)c1 ZINC000223933279 570490965 /nfs/dbraw/zinc/49/09/65/570490965.db2.gz GOAOOVWCYUZENS-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN S=C(NCCCc1ccccc1)Nc1ncc(Cl)cc1Br ZINC000223960145 570491856 /nfs/dbraw/zinc/49/18/56/570491856.db2.gz JKKMYHCODNYMRY-UHFFFAOYSA-N 0 0 384.730 4.417 40 0 GIABRN CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000030752199 570494304 /nfs/dbraw/zinc/49/43/04/570494304.db2.gz AHUSAPGXNAIOKJ-UHFFFAOYSA-N 0 0 382.441 4.238 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccccc1 ZINC000224034930 570495447 /nfs/dbraw/zinc/49/54/47/570495447.db2.gz FIRFWKMFKNAMMF-QHCPKHFHSA-N 0 0 394.559 4.385 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccccc2CC)ccc1Cl ZINC000030757729 570495631 /nfs/dbraw/zinc/49/56/31/570495631.db2.gz ZLDFCOJWIVZXGF-ZDUSSCGKSA-N 0 0 375.852 4.485 40 0 GIABRN S=C(Nc1ncc(Br)cc1Br)NC1CCCCC1 ZINC000224036623 570495940 /nfs/dbraw/zinc/49/59/40/570495940.db2.gz AMEYOTWENUKKFN-UHFFFAOYSA-N 0 0 393.148 4.226 40 0 GIABRN Cc1cc2sc(NC(=S)NC(=O)C=Cc3ccco3)nc2cc1Cl ZINC000006826388 570496156 /nfs/dbraw/zinc/49/61/56/570496156.db2.gz SMDJNDADRFNKES-SNAWJCMRSA-N 0 0 377.878 4.378 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)cc1C ZINC000224075721 570497233 /nfs/dbraw/zinc/49/72/33/570497233.db2.gz CHSRSEOYRVMKAQ-GOSISDBHSA-N 0 0 398.522 4.317 40 0 GIABRN Cc1cc(C(=O)NCC2CCCCC2)ccc1NS(=O)(=O)c1ccccc1 ZINC000224090335 570498004 /nfs/dbraw/zinc/49/80/04/570498004.db2.gz WNFDOARYYZMLGA-UHFFFAOYSA-N 0 0 386.517 4.106 40 0 GIABRN CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2C)cc1 ZINC000224114280 570499360 /nfs/dbraw/zinc/49/93/60/570499360.db2.gz RGGAJWBPRQFEHA-UHFFFAOYSA-N 0 0 391.489 4.070 40 0 GIABRN Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2)c1 ZINC000224113720 570499473 /nfs/dbraw/zinc/49/94/73/570499473.db2.gz AQAYFKLXIADSQP-UHFFFAOYSA-N 0 0 380.469 4.072 40 0 GIABRN Cc1cccc(CN(C(=O)CSc2ccccc2)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224144236 570500889 /nfs/dbraw/zinc/50/08/89/570500889.db2.gz LKDUIUSGPGJRCR-LJQANCHMSA-N 0 0 398.572 4.277 40 0 GIABRN Cc1ccccc1CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NCC(C)C ZINC000224142736 570500892 /nfs/dbraw/zinc/50/08/92/570500892.db2.gz BQORBKKVTNJGAG-HXUWFJFHSA-N 0 0 380.532 4.035 40 0 GIABRN O=C(NCc1ccco1)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000000866494 570501169 /nfs/dbraw/zinc/50/11/69/570501169.db2.gz HHXUGBROHTWTSO-OCCSQVGLSA-N 0 0 396.394 4.128 40 0 GIABRN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000224162444 570501545 /nfs/dbraw/zinc/50/15/45/570501545.db2.gz MRKDNLURYBBRDW-AKGOGDBKSA-N 0 0 392.430 4.375 40 0 GIABRN Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC000007230263 570501917 /nfs/dbraw/zinc/50/19/17/570501917.db2.gz OHFFMCKSZJUYEO-UHFFFAOYSA-N 0 0 394.496 4.034 40 0 GIABRN O=C(COc1ccc(Br)cc1Cl)NCCSC1CCCC1 ZINC000224176144 570502188 /nfs/dbraw/zinc/50/21/88/570502188.db2.gz UWJRHGFCZKHMKH-UHFFFAOYSA-N 0 0 392.746 4.273 40 0 GIABRN CC(=O)c1ccc(NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 ZINC000000873329 570503124 /nfs/dbraw/zinc/50/31/24/570503124.db2.gz LCHKHPFDYLYDJL-UHFFFAOYSA-N 0 0 375.424 4.486 40 0 GIABRN Cc1ccc(OCCNC(=O)Cc2cccc(Br)c2)cc1Cl ZINC000224193938 570503376 /nfs/dbraw/zinc/50/33/76/570503376.db2.gz BQFVBSDGFONZBQ-UHFFFAOYSA-N 0 0 382.685 4.149 40 0 GIABRN O=C(CSc1nnc(COc2cccc3ccccc32)o1)NC1CCCCC1 ZINC000000873785 570503498 /nfs/dbraw/zinc/50/34/98/570503498.db2.gz DDEHBJQYAIBLLV-UHFFFAOYSA-N 0 0 397.500 4.343 40 0 GIABRN Cc1csc(NC(=O)CSc2nnc3c(C)cc4ccc(C)c(C)c4n23)n1 ZINC000000877180 570503718 /nfs/dbraw/zinc/50/37/18/570503718.db2.gz BIPOBKUSWRMQMP-UHFFFAOYSA-N 0 0 397.529 4.303 40 0 GIABRN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 ZINC000000875828 570503733 /nfs/dbraw/zinc/50/37/33/570503733.db2.gz GCCJTIUFPGOJMW-CHWSQXEVSA-N 0 0 395.912 4.184 40 0 GIABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCCCCC2)cc1 ZINC000224219310 570504218 /nfs/dbraw/zinc/50/42/18/570504218.db2.gz QSQZOSSFAHOQNE-HKWRFOASSA-N 0 0 398.528 4.367 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1 ZINC000224225994 570504529 /nfs/dbraw/zinc/50/45/29/570504529.db2.gz YTZLSRGEMPGFGL-OAQYLSRUSA-N 0 0 398.572 4.172 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 ZINC000224225648 570504562 /nfs/dbraw/zinc/50/45/62/570504562.db2.gz FDDAWJXDJAXIFG-HXUWFJFHSA-N 0 0 384.545 4.031 40 0 GIABRN CCc1ccc(OCC(=O)NCCc2ccc(Cl)cc2)c(Br)c1 ZINC000224247133 570505650 /nfs/dbraw/zinc/50/56/50/570505650.db2.gz JZFACLWCDZHMQO-UHFFFAOYSA-N 0 0 396.712 4.403 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C ZINC000224259951 570506050 /nfs/dbraw/zinc/50/60/50/570506050.db2.gz ITXPVGDMIQLGDQ-QFIPXVFZSA-N 0 0 380.532 4.098 40 0 GIABRN COc1ccc([C@@H]2c3cc4c(cc3O[C@H](N3CCCCC3)[C@H]2C)OCO4)cc1 ZINC000031860892 570507069 /nfs/dbraw/zinc/50/70/69/570507069.db2.gz OFWNMZRXUNSPIH-BJQRDSPESA-N 0 0 381.472 4.396 40 0 GIABRN CCOC(=O)[C@@H]1[C@H](c2ccccc2)N(C)O[C@@]1(c1ccccc1)C(F)(F)F ZINC000032069550 570507654 /nfs/dbraw/zinc/50/76/54/570507654.db2.gz GBGLXQDOGHCYJD-JENIJYKNSA-N 0 0 379.378 4.242 40 0 GIABRN COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1CSc1ccccc1 ZINC000224327758 570509248 /nfs/dbraw/zinc/50/92/48/570509248.db2.gz QNHHBHWIQVWKPB-UHFFFAOYSA-N 0 0 392.480 4.339 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000224352242 570510197 /nfs/dbraw/zinc/51/01/97/570510197.db2.gz ATEPFJWOZDNOJD-JOCHJYFZSA-N 0 0 392.499 4.488 40 0 GIABRN Cc1cccc(NC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1C ZINC000000886894 570510991 /nfs/dbraw/zinc/51/09/91/570510991.db2.gz HOUKZNYJBOARNE-UHFFFAOYSA-N 0 0 399.541 4.211 40 0 GIABRN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(C)cc3)n2C)cc1 ZINC000000898475 570513508 /nfs/dbraw/zinc/51/35/08/570513508.db2.gz ZDOCUQGLFOVTRQ-HNNXBMFYSA-N 0 0 394.500 4.112 40 0 GIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000224464895 570514582 /nfs/dbraw/zinc/51/45/82/570514582.db2.gz YIIKRJUKSWWGOP-NRFANRHFSA-N 0 0 385.504 4.345 40 0 GIABRN COc1ccc(C(=O)CSc2nnc3c(C)cc4ccc(C)cc4n23)cc1 ZINC000000903047 570514642 /nfs/dbraw/zinc/51/46/42/570514642.db2.gz CYFWMVZFADHEIB-UHFFFAOYSA-N 0 0 377.469 4.483 40 0 GIABRN Oc1ccc(-c2nc3ccc(Br)cn3c2NC[C@@H]2CCCO2)cc1 ZINC000000904237 570515595 /nfs/dbraw/zinc/51/55/95/570515595.db2.gz YXPPIJXURHHSFZ-HNNXBMFYSA-N 0 0 388.265 4.060 40 0 GIABRN CCOc1ccc(C(=O)N[C@H](C)COC)cc1COc1ccc(Cl)cc1 ZINC000224505759 570516050 /nfs/dbraw/zinc/51/60/50/570516050.db2.gz HUTFWFCBLVEMSB-CQSZACIVSA-N 0 0 377.868 4.082 40 0 GIABRN COc1ccc2cc(S(=O)(=O)Nc3cccc(Br)c3)ccc2c1 ZINC000224539040 570517102 /nfs/dbraw/zinc/51/71/02/570517102.db2.gz NTWIMWKZBUUZNR-UHFFFAOYSA-N 0 0 392.274 4.412 40 0 GIABRN COc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)C2CCCC2)cc1 ZINC000000907991 570517241 /nfs/dbraw/zinc/51/72/41/570517241.db2.gz GRFDUPOCEYKYGV-UHFFFAOYSA-N 0 0 377.440 4.387 40 0 GIABRN CCNC(=S)N(Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000000907826 570517357 /nfs/dbraw/zinc/51/73/57/570517357.db2.gz YNHYPXZRKZZTDI-UHFFFAOYSA-N 0 0 379.529 4.042 40 0 GIABRN CCOc1ccc(C(=O)N[C@@H](C)COC)cc1COc1ccc(Cl)c(C)c1 ZINC000224549622 570517543 /nfs/dbraw/zinc/51/75/43/570517543.db2.gz XPVQBDMJYRRUCE-HNNXBMFYSA-N 0 0 391.895 4.391 40 0 GIABRN Cc1nnc(NC(=O)CCCC(=O)OCc2ccc(Cl)c(Cl)c2)s1 ZINC000008474118 570518751 /nfs/dbraw/zinc/51/87/51/570518751.db2.gz SLEXTSIYAFRMDJ-UHFFFAOYSA-N 0 0 388.276 4.006 40 0 GIABRN CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C ZINC000224599524 570520007 /nfs/dbraw/zinc/52/00/07/570520007.db2.gz WGCPWVZFXLPDAM-RTWAWAEBSA-N 0 0 392.528 4.403 40 0 GIABRN CC[C@@H](Oc1ccccc1OC)C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000224614574 570520531 /nfs/dbraw/zinc/52/05/31/570520531.db2.gz PTQMACMJUPWTSU-LJQANCHMSA-N 0 0 385.504 4.345 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 ZINC000224629376 570521263 /nfs/dbraw/zinc/52/12/63/570521263.db2.gz OSDMHBPBVQVSHF-JOCHJYFZSA-N 0 0 398.522 4.256 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(CC)cc1 ZINC000224734795 570527735 /nfs/dbraw/zinc/52/77/35/570527735.db2.gz JLCLMZZMILKGSH-HXUWFJFHSA-N 0 0 394.559 4.434 40 0 GIABRN CCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1COCC(C)C ZINC000224740762 570528249 /nfs/dbraw/zinc/52/82/49/570528249.db2.gz UZTUIIWMGGBVAB-UHFFFAOYSA-N 0 0 396.531 4.220 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000224775778 570530388 /nfs/dbraw/zinc/53/03/88/570530388.db2.gz PELYZRWIXUIFKC-QGZVFWFLSA-N 0 0 386.923 4.134 40 0 GIABRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)o2)c1 ZINC000224826947 570532787 /nfs/dbraw/zinc/53/27/87/570532787.db2.gz FDIXEHFOFOBQDK-VQTJNVASSA-N 0 0 395.484 4.177 40 0 GIABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccs2)c1 ZINC000224827184 570532839 /nfs/dbraw/zinc/53/28/39/570532839.db2.gz FIALHFPOUIDEIE-RTBURBONSA-N 0 0 397.525 4.337 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1cccc2c1CCCC2 ZINC000224843569 570533678 /nfs/dbraw/zinc/53/36/78/570533678.db2.gz WZJHJPBUVFLBBG-MRXNPFEDSA-N 0 0 380.488 4.111 40 0 GIABRN CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc4c(c3)OCCO4)o2)cc1 ZINC000224859389 570534664 /nfs/dbraw/zinc/53/46/64/570534664.db2.gz GLMIIDPSIJHWKF-UHFFFAOYSA-N 0 0 394.427 4.083 40 0 GIABRN COc1ccc(OC[C@H](C)NC(=O)CSCc2ccc(Cl)cc2F)cc1 ZINC000224865295 570535088 /nfs/dbraw/zinc/53/50/88/570535088.db2.gz YPICAZVMJKVUEE-ZDUSSCGKSA-N 0 0 397.899 4.305 40 0 GIABRN CCOc1ccc(-c2cnc(CCC(=O)N3CCc4ccccc4C3)o2)cc1 ZINC000224861503 570535137 /nfs/dbraw/zinc/53/51/37/570535137.db2.gz WBVXUQABRCWRPY-UHFFFAOYSA-N 0 0 376.456 4.258 40 0 GIABRN CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000224872752 570535610 /nfs/dbraw/zinc/53/56/10/570535610.db2.gz YEJIQCPNUPRFON-UHFFFAOYSA-N 0 0 375.490 4.232 40 0 GIABRN CCc1ccc(N(CC)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1 ZINC000224880253 570535989 /nfs/dbraw/zinc/53/59/89/570535989.db2.gz ABVAULSIUBBFSQ-UHFFFAOYSA-N 0 0 398.322 4.235 40 0 GIABRN CCOc1cc(CNC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)ccc1OC ZINC000224891021 570536529 /nfs/dbraw/zinc/53/65/29/570536529.db2.gz ASTYRJZKTAMFDM-NRFANRHFSA-N 0 0 397.515 4.447 40 0 GIABRN COc1ccc(C(=O)CSc2nnc(CNc3ccc(C)cc3C)o2)cc1 ZINC000000925233 570538421 /nfs/dbraw/zinc/53/84/21/570538421.db2.gz LXLJJCOGAYFALB-UHFFFAOYSA-N 0 0 383.473 4.282 40 0 GIABRN CCc1ccc(NC(=O)CSc2nnc3c4c(C)c(C)sc4ncn23)cc1 ZINC000000925326 570538481 /nfs/dbraw/zinc/53/84/81/570538481.db2.gz QUGUXRIVOPCXEC-UHFFFAOYSA-N 0 0 397.529 4.249 40 0 GIABRN CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000224975520 570540917 /nfs/dbraw/zinc/54/09/17/570540917.db2.gz OBKJSGAINYAKSU-UHFFFAOYSA-N 0 0 386.336 4.386 40 0 GIABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1Cl ZINC000224973155 570540941 /nfs/dbraw/zinc/54/09/41/570540941.db2.gz PPGQAYSRNGIUHM-RBUKOAKNSA-N 0 0 398.919 4.259 40 0 GIABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000224987734 570541934 /nfs/dbraw/zinc/54/19/34/570541934.db2.gz IORLAFZCZIPJNA-RMKNXTFCSA-N 0 0 398.934 4.355 40 0 GIABRN Cc1cc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c32)no1 ZINC000000933094 570542578 /nfs/dbraw/zinc/54/25/78/570542578.db2.gz DEUYWBIHOOQREW-UHFFFAOYSA-N 0 0 382.470 4.386 40 0 GIABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1 ZINC000225033484 570544581 /nfs/dbraw/zinc/54/45/81/570544581.db2.gz CEDLLGMBWGMOLE-SFTDATJTSA-N 0 0 392.528 4.458 40 0 GIABRN COc1ccccc1[C@@H](C)NC(=O)COc1cc(C)c(Br)c(C)c1 ZINC000225037846 570544617 /nfs/dbraw/zinc/54/46/17/570544617.db2.gz VZACNEUHRGGONM-CQSZACIVSA-N 0 0 392.293 4.331 40 0 GIABRN COc1ccccc1CCCNC(=O)c1cc(Br)ccc1Cl ZINC000225072647 570547063 /nfs/dbraw/zinc/54/70/63/570547063.db2.gz CFFDHGCFMFWPHR-UHFFFAOYSA-N 0 0 382.685 4.474 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 ZINC000225091166 570547892 /nfs/dbraw/zinc/54/78/92/570547892.db2.gz DHYHQRUWHFKYOL-QZTJIDSGSA-N 0 0 384.495 4.009 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C)c(C)c1 ZINC000225092068 570547923 /nfs/dbraw/zinc/54/79/23/570547923.db2.gz XZFKVEKQLLCTMF-JOCHJYFZSA-N 0 0 396.531 4.016 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 ZINC000225092605 570548510 /nfs/dbraw/zinc/54/85/10/570548510.db2.gz FAHICYPFDWUHHR-UXHICEINSA-N 0 0 380.532 4.178 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(F)(F)F)c2)cc1F ZINC000225108972 570549205 /nfs/dbraw/zinc/54/92/05/570549205.db2.gz NIWVTSUQIHQLBC-UHFFFAOYSA-N 0 0 397.777 4.332 40 0 GIABRN O=C(C[C@@H]1Nc2ccccc2OC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000009096652 570549379 /nfs/dbraw/zinc/54/93/79/570549379.db2.gz LYBLGMMIBKYOQF-ZDUSSCGKSA-N 0 0 384.741 4.087 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225117138 570550241 /nfs/dbraw/zinc/55/02/41/570550241.db2.gz LYWIDDFIDRIVJX-RTWAWAEBSA-N 0 0 394.559 4.486 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 ZINC000225123527 570550663 /nfs/dbraw/zinc/55/06/63/570550663.db2.gz WZYKUJLBPZYYNR-PMACEKPBSA-N 0 0 380.532 4.178 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1 ZINC000225131160 570551067 /nfs/dbraw/zinc/55/10/67/570551067.db2.gz OCRBZSUMWUBROU-QFIPXVFZSA-N 0 0 396.531 4.016 40 0 GIABRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NC[C@@H](C)c1ccccc1 ZINC000225139080 570551679 /nfs/dbraw/zinc/55/16/79/570551679.db2.gz BXZXGZJQOQXCRR-OSVNEOKWSA-N 0 0 388.467 4.279 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F ZINC000225163370 570552596 /nfs/dbraw/zinc/55/25/96/570552596.db2.gz QJBZWDMNTOBBMD-OAQYLSRUSA-N 0 0 384.495 4.010 40 0 GIABRN CC[C@@H](Oc1ccccc1OC)C(=O)Nc1nnc(SCC(C)C)s1 ZINC000225172296 570553693 /nfs/dbraw/zinc/55/36/93/570553693.db2.gz YMNVEPCIDOUEEQ-GFCCVEGCSA-N 0 0 381.523 4.091 40 0 GIABRN Cc1c(OC(=O)c2ccc(C=O)cc2)cccc1OC(=O)c1ccc(C=O)cc1 ZINC000035585904 570555285 /nfs/dbraw/zinc/55/52/85/570555285.db2.gz JTXBCKRKULWOJL-UHFFFAOYSA-N 0 0 388.375 4.058 40 0 GIABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCC2CCCCC2)cc1 ZINC000225207011 570556140 /nfs/dbraw/zinc/55/61/40/570556140.db2.gz DNDQXRBNOQYULS-ZHZULCJRSA-N 0 0 398.528 4.224 40 0 GIABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC2=CCCCC2)cc1 ZINC000225230991 570558138 /nfs/dbraw/zinc/55/81/38/570558138.db2.gz CYZMPUHVOAYDQJ-PGMHBOJBSA-N 0 0 394.471 4.066 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225247129 570558810 /nfs/dbraw/zinc/55/88/10/570558810.db2.gz OLQNARZWBJLGCX-RTBURBONSA-N 0 0 398.522 4.317 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C ZINC000225246871 570558822 /nfs/dbraw/zinc/55/88/22/570558822.db2.gz JBGUTBJWVPOJEA-MSOLQXFVSA-N 0 0 384.495 4.009 40 0 GIABRN O=C(c1ccc(-c2nc3ccccc3[nH]2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000225258319 570559694 /nfs/dbraw/zinc/55/96/94/570559694.db2.gz POWVRWIWMLNMHT-UHFFFAOYSA-N 0 0 396.494 4.188 40 0 GIABRN COc1ccc(OC[C@H](C)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000225264936 570560041 /nfs/dbraw/zinc/56/00/41/570560041.db2.gz BCQNXQZBRVDCCD-LBPRGKRZSA-N 0 0 384.423 4.468 40 0 GIABRN COc1ccc(OC[C@H](C)NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000225266473 570560475 /nfs/dbraw/zinc/56/04/75/570560475.db2.gz XBOMQLSGGZVLGR-LBPRGKRZSA-N 0 0 384.423 4.468 40 0 GIABRN O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)NCc1ccco1 ZINC000036182119 570560785 /nfs/dbraw/zinc/56/07/85/570560785.db2.gz KDHLNWPRXGKYJT-UHFFFAOYSA-N 0 0 375.453 4.324 40 0 GIABRN Cc1ccc(SCCNC(=S)Nc2cccc(N3CCCC3=O)c2)cc1 ZINC000225287156 570562135 /nfs/dbraw/zinc/56/21/35/570562135.db2.gz HVJFUAWZTNPONL-UHFFFAOYSA-N 0 0 385.558 4.201 40 0 GIABRN COC(=O)c1ccc(OC)c(NC(=O)CCc2ccc(Cl)c(Cl)c2)c1 ZINC000225338708 570565498 /nfs/dbraw/zinc/56/54/98/570565498.db2.gz XROGGFLRFPWCJJ-UHFFFAOYSA-N 0 0 382.243 4.360 40 0 GIABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000225341169 570565939 /nfs/dbraw/zinc/56/59/39/570565939.db2.gz GKKQKUYTOBFHNK-QGZVFWFLSA-N 0 0 398.934 4.335 40 0 GIABRN S=C(NCc1ccccc1)N1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000001327044 570567320 /nfs/dbraw/zinc/56/73/20/570567320.db2.gz HBAKRGXWEMOOLQ-UHFFFAOYSA-N 0 0 384.936 4.470 40 0 GIABRN C[C@@H]1Cc2ccccc2N1c1nc(C2CC2)nc2c1nnn2Cc1ccccc1 ZINC000001331257 570568399 /nfs/dbraw/zinc/56/83/99/570568399.db2.gz IOSRIYILYIAYOF-OAHLLOKOSA-N 0 0 382.471 4.230 40 0 GIABRN CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 ZINC000010333691 570569461 /nfs/dbraw/zinc/56/94/61/570569461.db2.gz GZXBHPNSPXJADL-UHFFFAOYSA-N 0 0 394.515 4.028 40 0 GIABRN Cc1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 ZINC000010329919 570569481 /nfs/dbraw/zinc/56/94/81/570569481.db2.gz GUYBBHAGCKSHKV-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN CC[C@H](Oc1ccccc1F)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000225399727 570569793 /nfs/dbraw/zinc/56/97/93/570569793.db2.gz OLMGGCCCKQLWHI-HNNXBMFYSA-N 0 0 387.436 4.149 40 0 GIABRN COc1ccc(CC(=O)N2CCc3nc(-c4ccccc4F)sc3C2)cc1 ZINC000036752103 570569937 /nfs/dbraw/zinc/56/99/37/570569937.db2.gz CCJBXBGWTSWBDE-UHFFFAOYSA-N 0 0 382.460 4.085 40 0 GIABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)N[C@H](C)c1ccccc1 ZINC000010368572 570570012 /nfs/dbraw/zinc/57/00/12/570570012.db2.gz XLNQFEUIWSSCEL-QGZVFWFLSA-N 0 0 394.496 4.287 40 0 GIABRN Cc1sc2nc(C)nc(SCC(=O)N3CCc4ccccc4C3)c2c1C ZINC000001340318 570570546 /nfs/dbraw/zinc/57/05/46/570570546.db2.gz FWOMHORVBSHZTK-UHFFFAOYSA-N 0 0 383.542 4.294 40 0 GIABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)C2CC2)cc1 ZINC000001341597 570570917 /nfs/dbraw/zinc/57/09/17/570570917.db2.gz BHDPDLXCVMKBPY-OAQYLSRUSA-N 0 0 380.488 4.383 40 0 GIABRN CSc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1NC(=O)C(C)C ZINC000225410661 570571069 /nfs/dbraw/zinc/57/10/69/570571069.db2.gz XBSDOUJABYJZAL-UHFFFAOYSA-N 0 0 392.546 4.421 40 0 GIABRN O=C(NCc1ccccc1)Nc1cccn(Cc2c(F)cccc2Cl)c1=O ZINC000001354168 570573812 /nfs/dbraw/zinc/57/38/12/570573812.db2.gz VCHQEEWIDVWHMW-UHFFFAOYSA-N 0 0 385.826 4.011 40 0 GIABRN CSc1ccc(NC(=O)Nc2cccn(Cc3ccccc3F)c2=O)cc1 ZINC000001354058 570573816 /nfs/dbraw/zinc/57/38/16/570573816.db2.gz XWSSGFSSPAAYHU-UHFFFAOYSA-N 0 0 383.448 4.402 40 0 GIABRN Cc1ccc(-c2nsc3c2ncnc3SCC(=O)N2CCCCC2)cc1 ZINC000001358700 570575284 /nfs/dbraw/zinc/57/52/84/570575284.db2.gz BQUVOXXKBFSRIF-UHFFFAOYSA-N 0 0 384.530 4.166 40 0 GIABRN Cc1ccccc1CSCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)C ZINC000225453991 570575783 /nfs/dbraw/zinc/57/57/83/570575783.db2.gz GPIBVJMSCWZYOA-LJQANCHMSA-N 0 0 398.572 4.170 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225457516 570576341 /nfs/dbraw/zinc/57/63/41/570576341.db2.gz XMEITLIVSMROEG-LEWJYISDSA-N 0 0 394.559 4.220 40 0 GIABRN CCCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccccn1 ZINC000001362590 570576737 /nfs/dbraw/zinc/57/67/37/570576737.db2.gz HOLPUJFFRKXBFC-UHFFFAOYSA-N 0 0 381.505 4.098 40 0 GIABRN COc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(C)cc4)C3)n2)c1 ZINC000001362539 570576897 /nfs/dbraw/zinc/57/68/97/570576897.db2.gz VMSFNSREGCCRFO-SFHVURJKSA-N 0 0 377.444 4.073 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)c2ccc(OC)cc2)c1 ZINC000225464732 570577265 /nfs/dbraw/zinc/57/72/65/570577265.db2.gz VFGLCUDHYUEQKI-LLVKDONJSA-N 0 0 378.881 4.183 40 0 GIABRN CCCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1-c1ccco1 ZINC000001364367 570578093 /nfs/dbraw/zinc/57/80/93/570578093.db2.gz IYMLVFHCPVYBSK-UHFFFAOYSA-N 0 0 386.477 4.078 40 0 GIABRN CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225472326 570578178 /nfs/dbraw/zinc/57/81/78/570578178.db2.gz WHBAUUNQONHWLR-LJQANCHMSA-N 0 0 380.532 4.124 40 0 GIABRN Cc1ccc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1 ZINC000001364709 570578490 /nfs/dbraw/zinc/57/84/90/570578490.db2.gz HSAVVXOYIZCAKW-UHFFFAOYSA-N 0 0 379.441 4.463 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 ZINC000225488964 570579471 /nfs/dbraw/zinc/57/94/71/570579471.db2.gz PBDJVIRAKFSZOB-UGKGYDQZSA-N 0 0 396.531 4.096 40 0 GIABRN COCC(=O)N(CCc1ccccc1)Cc1cc2cc(C)ccc2nc1Cl ZINC000001367690 570580078 /nfs/dbraw/zinc/58/00/78/570580078.db2.gz MPKKHSNULQENNB-UHFFFAOYSA-N 0 0 382.891 4.414 40 0 GIABRN Cc1ccc(CN(C)C(=O)COc2ccc(Cl)cc2Br)cc1 ZINC000038753103 570581515 /nfs/dbraw/zinc/58/15/15/570581515.db2.gz LVGHVMHQEBSFQD-UHFFFAOYSA-N 0 0 382.685 4.448 40 0 GIABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1Cl ZINC000038756636 570582589 /nfs/dbraw/zinc/58/25/89/570582589.db2.gz LGIZVBGSRWUAQT-UHFFFAOYSA-N 0 0 393.679 4.271 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225515094 570582789 /nfs/dbraw/zinc/58/27/89/570582789.db2.gz QPDVUGMPSJUKFK-KRWDZBQOSA-N 0 0 386.923 4.133 40 0 GIABRN Cc1ccc(NC(=S)N[C@H](C)CCc2ccccc2)cc1N1CCCC1=O ZINC000225516020 570582793 /nfs/dbraw/zinc/58/27/93/570582793.db2.gz WYBZPROCKNYZCE-QGZVFWFLSA-N 0 0 381.545 4.430 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000225523484 570583548 /nfs/dbraw/zinc/58/35/48/570583548.db2.gz NIOOBXOVOZERRN-HSZRJFAPSA-N 0 0 396.506 4.211 40 0 GIABRN CC(C)[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC1CCCCC1 ZINC000001381297 570584040 /nfs/dbraw/zinc/58/40/40/570584040.db2.gz PMPFVFAVUHMQAY-GFCCVEGCSA-N 0 0 379.309 4.080 40 0 GIABRN CC(C)C[C@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC1CCCC1 ZINC000001381314 570584086 /nfs/dbraw/zinc/58/40/86/570584086.db2.gz JIRNKQDCUAOVBF-JTQLQIEISA-N 0 0 379.309 4.080 40 0 GIABRN COc1ccccc1CCCNC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 ZINC000225551537 570586876 /nfs/dbraw/zinc/58/68/76/570586876.db2.gz FJZMPCDMCFRJDM-UHFFFAOYSA-N 0 0 397.544 4.050 40 0 GIABRN Cc1ccccc1CC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC(C)C ZINC000225554812 570587311 /nfs/dbraw/zinc/58/73/11/570587311.db2.gz ZURYAUQTCUCXJY-QGZVFWFLSA-N 0 0 386.923 4.133 40 0 GIABRN COc1ccc(NC(=S)NCCCc2cccc(OC(C)C)c2)c(OC)c1 ZINC000225564529 570589058 /nfs/dbraw/zinc/58/90/58/570589058.db2.gz SBZZVYAYVHWKFC-UHFFFAOYSA-N 0 0 388.533 4.410 40 0 GIABRN CC1(C)C[C@@H](NC(=S)Nc2ccc(N3CCCC3=O)cc2)c2ccccc2O1 ZINC000225578204 570590404 /nfs/dbraw/zinc/59/04/04/570590404.db2.gz DTPFIQKQDFNJNO-GOSISDBHSA-N 0 0 395.528 4.402 40 0 GIABRN Cc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)N(C2CC2)c2nc3ccccc3n21 ZINC000039964144 570594760 /nfs/dbraw/zinc/59/47/60/570594760.db2.gz NASWILVRGKHAFH-GOSISDBHSA-N 0 0 394.862 4.077 40 0 GIABRN COc1cc(CNC(=O)Cc2cccc(Br)c2)ccc1OC(C)C ZINC000225620140 570595189 /nfs/dbraw/zinc/59/51/89/570595189.db2.gz XXWGARLJSUVPMN-UHFFFAOYSA-N 0 0 392.293 4.104 40 0 GIABRN Cc1cc(NC(=O)Cc2cccc(Br)c2)ccc1N1CCCC1=O ZINC000225621484 570595195 /nfs/dbraw/zinc/59/51/95/570595195.db2.gz HWRVFFKMQZZDPQ-UHFFFAOYSA-N 0 0 387.277 4.066 40 0 GIABRN CSc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1NC(=O)C(C)C ZINC000225620831 570595341 /nfs/dbraw/zinc/59/53/41/570595341.db2.gz OPEBRISDNZUDGI-UHFFFAOYSA-N 0 0 392.546 4.421 40 0 GIABRN CN1CCN(CC(=O)N2c3ccccc3Sc3cc4ccccc4cc32)CC1 ZINC000019366416 570596067 /nfs/dbraw/zinc/59/60/67/570596067.db2.gz JHWISLMTUJNEQP-UHFFFAOYSA-N 0 0 389.524 4.217 40 0 in-vitro GIABRN CCOc1ccc(-c2noc(CN(C)C(=O)c3ccc4c(c3)CCCC4)n2)cc1 ZINC000225635970 570596816 /nfs/dbraw/zinc/59/68/16/570596816.db2.gz QDGINXSOXRNKTO-UHFFFAOYSA-N 0 0 391.471 4.286 40 0 GIABRN COc1ccc(NC(=S)N[C@H](C)COc2ccc(C)cc2)c2cccnc12 ZINC000225644014 570597852 /nfs/dbraw/zinc/59/78/52/570597852.db2.gz HAQHYGVRLMEUKL-OAHLLOKOSA-N 0 0 381.501 4.306 40 0 GIABRN CC(C)Oc1ccc(NC(=S)NCc2ccc(CN3CCCC3=O)cc2)cc1 ZINC000225649823 570598020 /nfs/dbraw/zinc/59/80/20/570598020.db2.gz ZVTVTGOUHLMXLI-UHFFFAOYSA-N 0 0 397.544 4.083 40 0 GIABRN CC(C)c1ccc(NC(=S)NCc2ccc(CN3CCCC3=O)cc2)cc1 ZINC000225648062 570598038 /nfs/dbraw/zinc/59/80/38/570598038.db2.gz DPPAOKIVFJUYOZ-UHFFFAOYSA-N 0 0 381.545 4.419 40 0 GIABRN O=c1[nH]c(N2CCCC2)nc2ncn(-c3ccc(Cl)c(Cl)c3)c(=S)c12 ZINC000040385836 570599095 /nfs/dbraw/zinc/59/90/95/570599095.db2.gz GVOPHZPFWBSHDR-UHFFFAOYSA-N 0 0 394.287 4.158 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 ZINC000225661630 570599190 /nfs/dbraw/zinc/59/91/90/570599190.db2.gz BSFXYOKSQGCSGV-GCJKJVERSA-N 0 0 398.522 4.399 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)c3ccc(OC)c(Cl)c3)s2)cc1 ZINC000225681463 570602314 /nfs/dbraw/zinc/60/23/14/570602314.db2.gz XCALSILQRXUGCS-UHFFFAOYSA-N 0 0 375.837 4.128 40 0 GIABRN COc1ccc(S(=O)(=O)NCCCc2ccc(OC(C)C)cc2)c(C)c1C ZINC000225694864 570604418 /nfs/dbraw/zinc/60/44/18/570604418.db2.gz WLRYCPZUDIRCFP-UHFFFAOYSA-N 0 0 391.533 4.010 40 0 GIABRN COC(=O)c1cccc(NC(=S)N[C@@H]2CCCc3cc(OC)ccc32)c1C ZINC000225703778 570606012 /nfs/dbraw/zinc/60/60/12/570606012.db2.gz YTOFOKQWRXUCKV-LJQANCHMSA-N 0 0 384.501 4.154 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 ZINC000225712605 570607452 /nfs/dbraw/zinc/60/74/52/570607452.db2.gz OSUQXSWMSQCDQF-QFIPXVFZSA-N 0 0 396.531 4.178 40 0 GIABRN CC[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C)c1ccccc1 ZINC000225712815 570607455 /nfs/dbraw/zinc/60/74/55/570607455.db2.gz UPZPBAGBCCLYFW-INIZCTEOSA-N 0 0 390.530 4.074 40 0 GIABRN CC[C@H](NC(=S)Nc1ccc(C)c(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000225722250 570608859 /nfs/dbraw/zinc/60/88/59/570608859.db2.gz OWXPPLRBPSBGJN-SFHVURJKSA-N 0 0 376.547 4.145 40 0 GIABRN O=C(CN1C(=O)c2cccc3cccc1c23)NCc1cccc(C(F)(F)F)c1 ZINC000225740197 570611420 /nfs/dbraw/zinc/61/14/20/570611420.db2.gz VSYYLURLMJDUCC-UHFFFAOYSA-N 0 0 384.357 4.135 40 0 GIABRN COC(=O)c1cc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)ccc1OC ZINC000225762127 570614137 /nfs/dbraw/zinc/61/41/37/570614137.db2.gz QMNXTXCVFJHPKK-UHFFFAOYSA-N 0 0 385.435 4.462 40 0 GIABRN CCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000225760245 570614188 /nfs/dbraw/zinc/61/41/88/570614188.db2.gz KUTYKWPAGHPLII-JOCHJYFZSA-N 0 0 380.532 4.117 40 0 GIABRN COc1ccc(-c2nnsc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000225762410 570614452 /nfs/dbraw/zinc/61/44/52/570614452.db2.gz AIGNKGXKOLSNRY-UHFFFAOYSA-N 0 0 379.363 4.485 40 0 GIABRN COc1ccc2nc(SCC(=O)Nc3cc(OC)ccc3OC)c(C)cc2c1 ZINC000004127550 570616124 /nfs/dbraw/zinc/61/61/24/570616124.db2.gz HUJYUFVMHSKTRP-UHFFFAOYSA-N 0 0 398.484 4.300 40 0 GIABRN COc1ccccc1NC(=O)c1snnc1-c1ccc(Br)cc1 ZINC000225784183 570617230 /nfs/dbraw/zinc/61/72/30/570617230.db2.gz CBRKAPDVEHBERR-UHFFFAOYSA-N 0 0 390.262 4.229 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)COc3ccc(Cl)c(C)c3)s2)cc1 ZINC000225798695 570618584 /nfs/dbraw/zinc/61/85/84/570618584.db2.gz JNPBELAQPKHAPB-UHFFFAOYSA-N 0 0 389.864 4.193 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)ccc1OCC(C)C ZINC000225808376 570619830 /nfs/dbraw/zinc/61/98/30/570619830.db2.gz AHAKQVSPKQIDGJ-ZHRRBRCNSA-N 0 0 391.508 4.432 40 0 GIABRN CCCCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccnc1 ZINC000004161411 570620129 /nfs/dbraw/zinc/62/01/29/570620129.db2.gz FXLRCBLWQSZIGI-UHFFFAOYSA-N 0 0 385.468 4.010 40 0 GIABRN CCCCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccncc1 ZINC000004161388 570620226 /nfs/dbraw/zinc/62/02/26/570620226.db2.gz QJAXHVPNGWQLFS-UHFFFAOYSA-N 0 0 395.532 4.488 40 0 GIABRN Cc1cccc(-c2nnc(SCC(=O)OC(C)C)n2Cc2ccccc2)c1 ZINC000004167403 570621122 /nfs/dbraw/zinc/62/11/22/570621122.db2.gz NWKBWFXBWOIJEK-UHFFFAOYSA-N 0 0 381.501 4.346 40 0 GIABRN O=C(Cc1ccccc1)N1CCC2(CC1)CC(=O)c1ccc3ccccc3c1O2 ZINC000225825018 570621981 /nfs/dbraw/zinc/62/19/81/570621981.db2.gz SOHOQXNTVFUWNL-UHFFFAOYSA-N 0 0 385.463 4.409 40 0 GIABRN Cc1ccccc1-c1noc(CNC(=S)Nc2ccc(F)c(Cl)c2)n1 ZINC000225828784 570622736 /nfs/dbraw/zinc/62/27/36/570622736.db2.gz FTHWNWGOAZZDCQ-UHFFFAOYSA-N 0 0 376.844 4.324 40 0 GIABRN O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)NCc1ccncc1 ZINC000225831160 570623190 /nfs/dbraw/zinc/62/31/90/570623190.db2.gz HFIVVAZHGCHVPI-UHFFFAOYSA-N 0 0 384.439 4.048 40 0 GIABRN CCOC(=O)c1cc(NC(=O)C2(OCC)CCC(C)CC2)ccc1OCC ZINC000225834431 570623791 /nfs/dbraw/zinc/62/37/91/570623791.db2.gz LCEOJNXKIMTEHG-UHFFFAOYSA-N 0 0 377.481 4.186 40 0 GIABRN CCOC(=O)c1cc(NC(=S)NCc2cccc(OC)c2)ccc1Cl ZINC000225834773 570623910 /nfs/dbraw/zinc/62/39/10/570623910.db2.gz MOMFWELKBXXUQF-UHFFFAOYSA-N 0 0 378.881 4.012 40 0 GIABRN CCCCN(C(=O)C(F)(F)F)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000004570677 570630735 /nfs/dbraw/zinc/63/07/35/570630735.db2.gz MDTRVLFFRQOTFV-AWEZNQCLSA-N 0 0 376.444 4.039 40 0 GIABRN C[C@H]1Cc2cc(Br)ccc2N1C(=O)c1cnn(Cc2ccccc2)c1 ZINC000225888659 570630775 /nfs/dbraw/zinc/63/07/75/570630775.db2.gz AIANIWLDWSWMGS-AWEZNQCLSA-N 0 0 396.288 4.285 40 0 GIABRN [NH3+][C@H](CC(=O)[O-])c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000044216287 570632578 /nfs/dbraw/zinc/63/25/78/570632578.db2.gz KYSDMSUOMNGPCH-HXUWFJFHSA-N 0 0 377.440 4.319 40 0 GIABRN CCCO[C@@]1(C(=O)Nc2cnc(OCCOCC)c(C)c2)CCC[C@@H](C)C1 ZINC000225911705 570632787 /nfs/dbraw/zinc/63/27/87/570632787.db2.gz HGWRMTNBXIGUBQ-IERDGZPVSA-N 0 0 378.513 4.119 40 0 GIABRN CCCO[C@@]1(C(=O)Nc2cnc(OCCOCC)c(C)c2)CCC[C@H](C)C1 ZINC000225911727 570632815 /nfs/dbraw/zinc/63/28/15/570632815.db2.gz HGWRMTNBXIGUBQ-KKSFZXQISA-N 0 0 378.513 4.119 40 0 GIABRN CCOc1ccc(NC(=O)C2(C)COC(c3ccc(Cl)cc3)OC2)cc1 ZINC000225919083 570633443 /nfs/dbraw/zinc/63/34/43/570633443.db2.gz SOLOFQZMSUUDDA-UHFFFAOYSA-N 0 0 375.852 4.429 40 0 GIABRN CCOc1ccc(NC(=O)C2(NC(=O)c3cccs3)CC2)c2ccccc12 ZINC000225929933 570634219 /nfs/dbraw/zinc/63/42/19/570634219.db2.gz UMPJKWSNZBQXMZ-UHFFFAOYSA-N 0 0 380.469 4.201 40 0 GIABRN COc1ccc2nc3sc(C(=O)Nc4ccc5c(c4)OCO5)c(N)c3cc2c1 ZINC000004848784 570634632 /nfs/dbraw/zinc/63/46/32/570634632.db2.gz KPBDZDISKYYHPH-UHFFFAOYSA-N 0 0 393.424 4.021 40 0 GIABRN Cc1ccc(NC(=O)NCCNc2nc(C)nc3sc4c(c32)CCCC4)cc1 ZINC000004848583 570634638 /nfs/dbraw/zinc/63/46/38/570634638.db2.gz VBXIDBVHBQHCAM-UHFFFAOYSA-N 0 0 395.532 4.421 40 0 GIABRN COc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000044842907 570634876 /nfs/dbraw/zinc/63/48/76/570634876.db2.gz BNRDWTVRYOXMIW-ZIAGYGMSSA-N 0 0 375.490 4.070 40 0 GIABRN COc1cc(Cl)nc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)n1 ZINC000225978831 570637764 /nfs/dbraw/zinc/63/77/64/570637764.db2.gz KWWAFPAAGAMWEM-UHFFFAOYSA-N 0 0 394.903 4.076 40 0 GIABRN CCOc1ccc2c(c1)c1nnc(SCC(=O)c3ccc(F)cc3)nc1n2C ZINC000004856471 570638433 /nfs/dbraw/zinc/63/84/33/570638433.db2.gz KTMCXYJHXQTIBZ-UHFFFAOYSA-N 0 0 396.447 4.029 40 0 GIABRN S=C(Nc1nc(Oc2ccccc2)cc(N2CCCC2)n1)NC1CCCC1 ZINC000226005330 570638563 /nfs/dbraw/zinc/63/85/63/570638563.db2.gz JBNMVWTYXLSUQL-UHFFFAOYSA-N 0 0 383.521 4.098 40 0 GIABRN S=C(Nc1nc(Cl)cc(Sc2ncccn2)n1)NC1CCCCCC1 ZINC000226011433 570638719 /nfs/dbraw/zinc/63/87/19/570638719.db2.gz KYSCKMTZLDEDHI-UHFFFAOYSA-N 0 0 394.957 4.080 40 0 GIABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000044886559 570639016 /nfs/dbraw/zinc/63/90/16/570639016.db2.gz PORSZMURVBUIAA-LJQANCHMSA-N 0 0 386.879 4.372 40 0 GIABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000044900348 570640014 /nfs/dbraw/zinc/64/00/14/570640014.db2.gz JVMHQLVKHULZLM-INIZCTEOSA-N 0 0 392.455 4.178 40 0 GIABRN CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccoc1C ZINC000004860831 570640494 /nfs/dbraw/zinc/64/04/94/570640494.db2.gz QTFUJLMEJFVMGK-UHFFFAOYSA-N 0 0 394.859 4.390 40 0 GIABRN COC(=O)c1c(NC(=O)COc2cc(C)cc(C)c2C)sc2c1CCCC2 ZINC000001937538 570640661 /nfs/dbraw/zinc/64/06/61/570640661.db2.gz BUMWKGLMAWRSDO-UHFFFAOYSA-N 0 0 387.501 4.356 40 0 GIABRN O=C(NCc1ccc(-n2ccnc2)cc1)c1ccccc1OCc1ccccc1 ZINC000044902885 570641274 /nfs/dbraw/zinc/64/12/74/570641274.db2.gz SPXJASKGYRWBHP-UHFFFAOYSA-N 0 0 383.451 4.381 40 0 GIABRN Cc1cc2cc(CN(Cc3ccccc3)C(=O)C3CCC3)c3nnnn3c2cc1C ZINC000004879942 570641698 /nfs/dbraw/zinc/64/16/98/570641698.db2.gz AIVQJJFTBMAUIO-UHFFFAOYSA-N 0 0 399.498 4.223 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(OC)cc2)cc1Cl ZINC000044904840 570641943 /nfs/dbraw/zinc/64/19/43/570641943.db2.gz QJJPWJXLECMYJP-SFHVURJKSA-N 0 0 391.851 4.321 40 0 GIABRN COCCN(Cc1cc2cc(OC)ccc2nc1Cl)C(=O)c1ccccc1C ZINC000004881039 570642228 /nfs/dbraw/zinc/64/22/28/570642228.db2.gz TZXDMLZMGPKDGN-UHFFFAOYSA-N 0 0 398.890 4.494 40 0 GIABRN COc1ccc(NC(=O)CSCc2ccccc2Br)c(OC)c1 ZINC000032794291 570643819 /nfs/dbraw/zinc/64/38/19/570643819.db2.gz YURNFNNLDGYEGA-UHFFFAOYSA-N 0 0 396.306 4.338 40 0 GIABRN O=C(CSc1nnnn1C1CCCCC1)Nc1c(Cl)cccc1Cl ZINC000004943270 570645358 /nfs/dbraw/zinc/64/53/58/570645358.db2.gz APSUUXUGQSWQFO-UHFFFAOYSA-N 0 0 386.308 4.216 40 0 GIABRN CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000033572065 570645584 /nfs/dbraw/zinc/64/55/84/570645584.db2.gz AAGKZJKVANIOFD-NRFANRHFSA-N 0 0 392.455 4.314 40 0 GIABRN CNc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000118896281 570645797 /nfs/dbraw/zinc/64/57/97/570645797.db2.gz DSTVKRIQVGYFEH-UHFFFAOYSA-N 0 0 380.835 4.281 40 0 GIABRN COc1ccc2nc(C)c(C(=O)N[C@H](C)c3ccc(OC)c(OC)c3)cc2c1 ZINC000045386518 570647213 /nfs/dbraw/zinc/64/72/13/570647213.db2.gz QTCBXIVVJVKSND-CYBMUJFWSA-N 0 0 380.444 4.060 40 0 GIABRN CC(C)OC(=O)c1cc2c(ccn2C)n1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000005001254 570651721 /nfs/dbraw/zinc/65/17/21/570651721.db2.gz GUWHHAVUNOPCJR-UHFFFAOYSA-N 0 0 381.476 4.307 40 0 GIABRN Cc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000047156170 570653330 /nfs/dbraw/zinc/65/33/30/570653330.db2.gz UAAHPSJPAFCZMA-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN COC(=O)c1ccccc1NC(=O)CSc1cc(C)nc2ccc(OC)cc21 ZINC000005014968 570657254 /nfs/dbraw/zinc/65/72/54/570657254.db2.gz MCBVIWGARPKSLG-UHFFFAOYSA-N 0 0 396.468 4.069 40 0 GIABRN Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)Cc2ccccc2)cc1C ZINC000059502323 570659618 /nfs/dbraw/zinc/65/96/18/570659618.db2.gz BPDILFZBYZETEW-UHFFFAOYSA-N 0 0 398.462 4.133 40 0 GIABRN C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C ZINC000005324586 570662090 /nfs/dbraw/zinc/66/20/90/570662090.db2.gz LSELYNHNNZHEKN-JXFSHQFZSA-N 0 0 377.485 4.297 40 0 GIABRN C[C@@H](Sc1n[nH]c(-c2cccnc2)n1)C(=O)Nc1cccc2ccccc21 ZINC000005487377 570663310 /nfs/dbraw/zinc/66/33/10/570663310.db2.gz HJWPXPSCOLBOLN-CYBMUJFWSA-N 0 0 375.457 4.139 40 0 GIABRN CCOC(=O)c1ccc(Nc2cc(N)nc(-c3ccc(OCC)cc3)n2)cc1 ZINC000049468086 570663431 /nfs/dbraw/zinc/66/34/31/570663431.db2.gz JJYXFQVEIJABPT-UHFFFAOYSA-N 0 0 378.432 4.045 40 0 GIABRN COc1cccc(NC(=S)N2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)c1 ZINC000005988527 570666540 /nfs/dbraw/zinc/66/65/40/570666540.db2.gz NJVKGUACOGWIJZ-HNNXBMFYSA-N 0 0 380.517 4.456 40 0 GIABRN COC(=O)c1cc(NC(=O)COc2ccccc2C(C)(C)C)ccc1Cl ZINC000008496845 570676096 /nfs/dbraw/zinc/67/60/96/570676096.db2.gz CCOYAFRHZJSPQC-UHFFFAOYSA-N 0 0 375.852 4.442 40 0 GIABRN COc1cc(Br)cc2cc3c(=O)n(-c4ccc(C)c(C)c4)nc-3oc21 ZINC000002689873 570679251 /nfs/dbraw/zinc/67/92/51/570679251.db2.gz GPLPJBXXVUSWOC-UHFFFAOYSA-N 0 0 399.244 4.471 40 0 GIABRN COc1cc(C)c(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OC ZINC000409007290 570692725 /nfs/dbraw/zinc/69/27/25/570692725.db2.gz OYYQAFIJPLEKMD-UYRXBGFRSA-N 0 0 383.469 4.291 40 0 GIABRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O ZINC000409011437 570693603 /nfs/dbraw/zinc/69/36/03/570693603.db2.gz NJYRBBTXDBSTKM-RAOBZKRQSA-N 0 0 397.452 4.467 40 0 GIABRN Cc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)n1-c1cccnc1 ZINC000260762738 570703973 /nfs/dbraw/zinc/70/39/73/570703973.db2.gz HFRFIJNDMMCRIB-UIAACRFSSA-N 0 0 375.501 4.165 40 0 GIABRN COc1ccc(CNC(=O)c2sc3nc4cc(C)ccc4cc3c2N)cc1 ZINC000000915361 570725580 /nfs/dbraw/zinc/72/55/80/570725580.db2.gz WMMKHGHXFYEACO-UHFFFAOYSA-N 0 0 377.469 4.279 40 0 GIABRN COC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCN(C)C2 ZINC000004223492 570726823 /nfs/dbraw/zinc/72/68/23/570726823.db2.gz NQKUGSMYMTUSDY-UHFFFAOYSA-N 0 0 399.299 4.082 40 0 GIABRN Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)c1C ZINC000005448492 570732985 /nfs/dbraw/zinc/73/29/85/570732985.db2.gz FZNSSPFMSYXQNK-UHFFFAOYSA-N 0 0 386.908 4.483 40 0 GIABRN Cc1ccc(C2=NN[C@](C)([C@@]3(C)NN=C(c4ccc(C)cc4)S3)S2)cc1 ZINC000005745664 570734840 /nfs/dbraw/zinc/73/48/40/570734840.db2.gz PRRHQQFNORLYJL-PMACEKPBSA-N 0 0 382.558 4.432 40 0 GIABRN CC(=O)c1ccc(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)cc1 ZINC000005943956 570736721 /nfs/dbraw/zinc/73/67/21/570736721.db2.gz NHPJWMGWHPZCAN-UHFFFAOYSA-N 0 0 399.244 4.058 40 0 GIABRN CCc1cccc(CC)c1NC(=O)CSc1nnc(C)n1-c1ccccc1 ZINC000006110375 570738640 /nfs/dbraw/zinc/73/86/40/570738640.db2.gz NKIJUPRGRWCENB-UHFFFAOYSA-N 0 0 380.517 4.431 40 0 GIABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000006386269 570743735 /nfs/dbraw/zinc/74/37/35/570743735.db2.gz RTFMLBVKBDCQBT-LFYBBSHMSA-N 0 0 387.892 4.215 40 0 GIABRN Cc1ccc(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)c(C)c1 ZINC000006714736 570750068 /nfs/dbraw/zinc/75/00/68/570750068.db2.gz FZBPYPLFKYQNPN-UHFFFAOYSA-N 0 0 385.261 4.472 40 0 GIABRN Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3C)n2C)cc1 ZINC000006845396 570752273 /nfs/dbraw/zinc/75/22/73/570752273.db2.gz MBTDDYZRCCLATA-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN CCS(=O)(=O)[C@](C)(Br)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000096518626 570754306 /nfs/dbraw/zinc/75/43/06/570754306.db2.gz MRMFCICYTZTIJC-KRWDZBQOSA-N 0 0 381.291 4.082 40 0 GIABRN CCOc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1OCC ZINC000007345111 570757665 /nfs/dbraw/zinc/75/76/65/570757665.db2.gz INLJGBJZMAIFCR-UHFFFAOYSA-N 0 0 399.472 4.263 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)cc1 ZINC000007360856 570758212 /nfs/dbraw/zinc/75/82/12/570758212.db2.gz MYYHNYJPDXVKRD-KRWDZBQOSA-N 0 0 394.496 4.287 40 0 GIABRN COc1ccc(CCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OC ZINC000007525794 570760388 /nfs/dbraw/zinc/76/03/88/570760388.db2.gz ZXEFSAYMHYJOPW-MRXNPFEDSA-N 0 0 385.504 4.128 40 0 GIABRN CCC[C@H]1CCN(C(=O)Cc2c(C)nc3ccccn32)C[C@H]1Nc1ccccc1 ZINC000257209935 570761106 /nfs/dbraw/zinc/76/11/06/570761106.db2.gz BSMDFQFNKISRNT-PZJWPPBQSA-N 0 0 390.531 4.315 40 0 GIABRN CCN1C(=O)CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000257213767 570761718 /nfs/dbraw/zinc/76/17/18/570761718.db2.gz CIZYSXUQXZQDHU-VXKWHMMOSA-N 0 0 392.499 4.027 40 0 GIABRN Cc1cccnc1C(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257220587 570762657 /nfs/dbraw/zinc/76/26/57/570762657.db2.gz DLHPLBRWVMKKES-IBGZPJMESA-N 0 0 379.435 4.475 40 0 GIABRN CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4c(OC)cccc4OC)OCC[C@@]31C2 ZINC000257222172 570763227 /nfs/dbraw/zinc/76/32/27/570763227.db2.gz DSFHXIQESWCOBZ-GKEBQOIESA-N 0 0 387.520 4.112 40 0 GIABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3)CC2=O)c(C)c1 ZINC000007928044 570763252 /nfs/dbraw/zinc/76/32/52/570763252.db2.gz TUPUWVPYKPFXSF-AWEZNQCLSA-N 0 0 387.277 4.058 40 0 GIABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccccc2SC(C)C)c1 ZINC000008041393 570763651 /nfs/dbraw/zinc/76/36/51/570763651.db2.gz XSWSVSZEBRTYED-UHFFFAOYSA-N 0 0 387.457 4.013 40 0 GIABRN Cc1cnn(CC(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)c1 ZINC000257225120 570763707 /nfs/dbraw/zinc/76/37/07/570763707.db2.gz FEXUDFNCRXDTHS-IBGZPJMESA-N 0 0 398.894 4.178 40 0 GIABRN CCCCC(=O)NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000008053525 570764023 /nfs/dbraw/zinc/76/40/23/570764023.db2.gz AIEWZFFGUKSGJL-UHFFFAOYSA-N 0 0 395.322 4.390 40 0 GIABRN CC(C)c1ccc(C[C@@]2(C)Cc3cc(CCC(=O)NCCCO)ccc3O2)cc1 ZINC000257230499 570764962 /nfs/dbraw/zinc/76/49/62/570764962.db2.gz GCOQXFXGGNBFHQ-VWLOTQADSA-N 0 0 395.543 4.178 40 0 GIABRN CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccco1 ZINC000008090378 570765047 /nfs/dbraw/zinc/76/50/47/570765047.db2.gz WOOBSNZZESATAN-UHFFFAOYSA-N 0 0 378.457 4.442 40 0 GIABRN O=C(Nc1ccc(Br)cc1Cl)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000008216674 570765555 /nfs/dbraw/zinc/76/55/55/570765555.db2.gz QEHCBUWPTFPSAO-NSHDSACASA-N 0 0 393.668 4.094 40 0 GIABRN Cn1cncc1-c1cc([C@H]2CCCN2C(=O)c2ccc3ccccc3n2)ccn1 ZINC000257235255 570766356 /nfs/dbraw/zinc/76/63/56/570766356.db2.gz GXBLANVFKCKNBW-OAQYLSRUSA-N 0 0 383.455 4.008 40 0 GIABRN O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1cccc(Br)c1 ZINC000008377830 570768574 /nfs/dbraw/zinc/76/85/74/570768574.db2.gz YRAKNNFXFMRTMO-UHFFFAOYSA-N 0 0 393.350 4.022 40 0 GIABRN O=C(COc1ccc(F)cc1)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257242261 570768546 /nfs/dbraw/zinc/76/85/46/570768546.db2.gz IBSCVJQNFXIPID-FQEVSTJZSA-N 0 0 398.409 4.286 40 0 GIABRN COc1cccc(C(=O)N2CCC[C@H]2c2cc(-c3c(C)noc3C)nc(C)n2)c1 ZINC000257244326 570768803 /nfs/dbraw/zinc/76/88/03/570768803.db2.gz IKUJMUPDIWMWGC-FQEVSTJZSA-N 0 0 392.459 4.043 40 0 GIABRN Cc1ccc(C)c(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1 ZINC000008478929 570768984 /nfs/dbraw/zinc/76/89/84/570768984.db2.gz BZUFHMFLEUBJHJ-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN CNc1cncc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3ccccc3C(=O)[O-])cc2)n1 ZINC000257245560 570769486 /nfs/dbraw/zinc/76/94/86/570769486.db2.gz IQCGBWSJXUNHAL-NRFANRHFSA-N 0 0 388.471 4.221 40 0 GIABRN CCOc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 ZINC000013673155 570771363 /nfs/dbraw/zinc/77/13/63/570771363.db2.gz MEVOFZTURZPAGU-UHFFFAOYSA-N 0 0 396.468 4.138 40 0 GIABRN CCc1nnc(Nc2cccc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)s1 ZINC000257260026 570771403 /nfs/dbraw/zinc/77/14/03/570771403.db2.gz LBAZFJUWFPWMLQ-INIZCTEOSA-N 0 0 393.516 4.259 40 0 GIABRN Cc1noc(C)c1-c1ccc([C@@H]2CCCN2C(=O)Cc2ccccc2F)nc1 ZINC000257257638 570771551 /nfs/dbraw/zinc/77/15/51/570771551.db2.gz KQMMFTWKSAPNCZ-FQEVSTJZSA-N 0 0 379.435 4.399 40 0 GIABRN COCCC(=O)N[C@@]1(C)C[C@H](c2ccc(F)cc2F)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257261447 570772024 /nfs/dbraw/zinc/77/20/24/570772024.db2.gz LHIPJXKPZNPGIB-KVQDAUAASA-N 0 0 381.463 4.142 40 0 GIABRN CC(C)C(=O)N1[C@H](c2cccc(C(F)(F)F)c2)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257263121 570772099 /nfs/dbraw/zinc/77/20/99/570772099.db2.gz LONAIPAQSVLJHV-IKGGRYGDSA-N 0 0 382.426 4.062 40 0 GIABRN O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)cc1 ZINC000257264688 570772667 /nfs/dbraw/zinc/77/26/67/570772667.db2.gz LVQHBNGQUAWOTL-IBGZPJMESA-N 0 0 394.446 4.482 40 0 GIABRN Clc1ccccc1Cc1cccc([C@@H]2CN(Cc3cccnc3)CCO2)n1 ZINC000257270299 570773562 /nfs/dbraw/zinc/77/35/62/570773562.db2.gz MTPRDSHEHFKGEG-QFIPXVFZSA-N 0 0 379.891 4.294 40 0 GIABRN Cc1nccc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)n1 ZINC000257276220 570774333 /nfs/dbraw/zinc/77/43/33/570774333.db2.gz NSWBGZVRWDIOBN-INIZCTEOSA-N 0 0 396.878 4.037 40 0 GIABRN Cc1cc(=O)cc([C@H]2CC[N@H+](Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)[nH]1 ZINC000257286549 570776112 /nfs/dbraw/zinc/77/61/12/570776112.db2.gz PLZPHJYMDWCKBA-HNNXBMFYSA-N 0 0 378.428 4.043 40 0 GIABRN Cc1cc(C)n(CC(=O)N2CCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)n1 ZINC000257290569 570776345 /nfs/dbraw/zinc/77/63/45/570776345.db2.gz QDLOKFUWVYKCGN-IBGZPJMESA-N 0 0 398.894 4.096 40 0 GIABRN CC(=O)N[C@@H]1C[C@H](c2ccc(OCc3nccn3C)cc2)OC2(CCCCC2)C1 ZINC000257290631 570776583 /nfs/dbraw/zinc/77/65/83/570776583.db2.gz QDRHZHZLUJWBCQ-TZIWHRDSSA-N 0 0 397.519 4.058 40 0 GIABRN O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000009979911 570777036 /nfs/dbraw/zinc/77/70/36/570777036.db2.gz UIPBMNSZEHIQSV-UHFFFAOYSA-N 0 0 391.298 4.162 40 0 GIABRN Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCCN2Cc2ncccc2F)n1 ZINC000257296499 570777383 /nfs/dbraw/zinc/77/73/83/570777383.db2.gz RDCXFWPQTCHOCX-LJQANCHMSA-N 0 0 381.455 4.318 40 0 GIABRN O=C(CN1CCC(c2cccc(Nc3ccccn3)n2)CC1)Nc1ccccc1 ZINC000257295574 570777390 /nfs/dbraw/zinc/77/73/90/570777390.db2.gz QYYRWBXGVPTLGE-UHFFFAOYSA-N 0 0 387.487 4.038 40 0 GIABRN Cc1nc(C(=O)N2CC[C@@H]3[C@H]2CCCCCN3C(=O)OC(C)(C)C)c(C)s1 ZINC000257303241 570778624 /nfs/dbraw/zinc/77/86/24/570778624.db2.gz SGJCUINQNKNNGC-HZPDHXFCSA-N 0 0 393.553 4.154 40 0 GIABRN Cc1cc(Nc2ccnc(CC3CCC(NC(=O)C4CCCCC4)CC3)n2)n[nH]1 ZINC000257318977 570780740 /nfs/dbraw/zinc/78/07/40/570780740.db2.gz VQEAXIYUXBLKBE-UHFFFAOYSA-N 0 0 396.539 4.050 40 0 GIABRN Cc1ccc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4F)o3)C2)cn1 ZINC000257332787 570782940 /nfs/dbraw/zinc/78/29/40/570782940.db2.gz XYPVTFGYWNWUEG-SFHVURJKSA-N 0 0 379.435 4.128 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)s1 ZINC000257333186 570782953 /nfs/dbraw/zinc/78/29/53/570782953.db2.gz YANXADBIOVCJKK-MRXNPFEDSA-N 0 0 399.491 4.498 40 0 GIABRN Cc1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C ZINC000010313809 570787332 /nfs/dbraw/zinc/78/73/32/570787332.db2.gz MFWLBAIZSZKFRM-OAHLLOKOSA-N 0 0 394.924 4.058 40 0 GIABRN COc1ccc([C@@H](C)NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)cc1 ZINC000170569311 570787728 /nfs/dbraw/zinc/78/77/28/570787728.db2.gz VGPGCQZHKPKAFS-MRXNPFEDSA-N 0 0 376.460 4.337 40 0 GIABRN Cc1ccc(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000010330034 570789318 /nfs/dbraw/zinc/78/93/18/570789318.db2.gz WKDUDKRQNJFTJO-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN CC(C)(C)OC(=O)N1CCO[C@H](c2cc3cccc(Br)n3c2)C1 ZINC000261507787 570789990 /nfs/dbraw/zinc/78/99/90/570789990.db2.gz MHIGDKKZERZGKZ-AWEZNQCLSA-N 0 0 381.270 4.010 40 0 GIABRN Cc1ccc(C)c(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000010433840 570790102 /nfs/dbraw/zinc/79/01/02/570790102.db2.gz XYVBEAWQHTVSNM-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN C[C@@H](OC(=O)/C=C/c1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000012982682 570818025 /nfs/dbraw/zinc/81/80/25/570818025.db2.gz SWPXVCDCIBEVTP-NAMILZJCSA-N 0 0 383.410 4.345 40 0 GIABRN c1ccc(-c2nc3c4ccccc4nc(NCc4ccc5c(c4)OCO5)n3n2)cc1 ZINC000013640177 570863202 /nfs/dbraw/zinc/86/32/02/570863202.db2.gz DBWMWFVKZJVBNY-UHFFFAOYSA-N 0 0 395.422 4.285 40 0 GIABRN COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000014002853 570874664 /nfs/dbraw/zinc/87/46/64/570874664.db2.gz BKJSKGNNVMPQPE-NTCAYCPXSA-N 0 0 378.472 4.363 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)C3CCCC3)CC2)on1 ZINC000257243907 570893786 /nfs/dbraw/zinc/89/37/86/570893786.db2.gz IJBBJZLAEUITJM-QAQDUYKDSA-N 0 0 382.508 4.329 40 0 GIABRN CCc1c(C)nn(-c2nc(C)cc(C)n2)c1OC(=O)[C@H](CC)c1ccccc1 ZINC000014608434 570893965 /nfs/dbraw/zinc/89/39/65/570893965.db2.gz INEYYEVANWIFHV-LJQANCHMSA-N 0 0 378.476 4.249 40 0 GIABRN CCc1c(C)nn(-c2nc(C)cc(C)n2)c1OC(=O)[C@@H](CC)c1ccccc1 ZINC000014608435 570893967 /nfs/dbraw/zinc/89/39/67/570893967.db2.gz INEYYEVANWIFHV-IBGZPJMESA-N 0 0 378.476 4.249 40 0 GIABRN C[C@H]1CC[C@H](C(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)CC1 ZINC000257290986 570903627 /nfs/dbraw/zinc/90/36/27/570903627.db2.gz QFCQEGSFLHVQFX-SAABIXHNSA-N 0 0 397.567 4.472 40 0 GIABRN COc1ccc(/C=C/C(=O)NCCSCc2ccccc2Cl)cc1OC ZINC000020240116 570904673 /nfs/dbraw/zinc/90/46/73/570904673.db2.gz WGMMNDOZDFFHNZ-CSKARUKUSA-N 0 0 391.920 4.420 40 0 GIABRN O=C(c1ccc(F)c(F)c1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000028210970 570908053 /nfs/dbraw/zinc/90/80/53/570908053.db2.gz WBMLPHPPGIEAIH-UHFFFAOYSA-N 0 0 388.311 4.085 40 0 GIABRN CC(=O)OCC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000257349075 570911000 /nfs/dbraw/zinc/91/10/00/570911000.db2.gz LGXCVDCRXUSHST-ZGWCHSHBSA-N 0 0 390.520 4.073 40 0 GIABRN Cc1cc2oc(Br)c(CC(=O)NCc3ccccn3)c2cc1Cl ZINC000040802784 570918876 /nfs/dbraw/zinc/91/88/76/570918876.db2.gz WAWIIOMVHMLGTJ-UHFFFAOYSA-N 0 0 393.668 4.411 40 0 GIABRN Cc1cc(C)nc(N=NCc2ccccc2OCc2ccc([N+](=O)[O-])cc2)n1 ZINC000254415588 570923298 /nfs/dbraw/zinc/92/32/98/570923298.db2.gz VGOSXHONTHNVKE-UHFFFAOYSA-N 0 0 377.404 4.027 40 0 GIABRN O=C(c1ccsc1)N1CCC2(C[C@H](C(=O)N3CCCC3)c3ccccc32)CC1 ZINC000585105640 570932528 /nfs/dbraw/zinc/93/25/28/570932528.db2.gz OLFXJDUVFMZGGY-IBGZPJMESA-N 0 0 394.540 4.032 40 0 GIABRN Fc1ccc(CN2CCO[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cc1 ZINC000306123292 570935831 /nfs/dbraw/zinc/93/58/31/570935831.db2.gz AJHYGPHYMLHMQS-QFIPXVFZSA-N 0 0 388.446 4.109 40 0 GIABRN Cc1ccc(CN2CCO[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)s1 ZINC000306129341 570938372 /nfs/dbraw/zinc/93/83/72/570938372.db2.gz IBAMVBIWPWUNOB-NRFANRHFSA-N 0 0 390.512 4.340 40 0 GIABRN COCc1cccc(-c2cnc3n2CCN(C(=O)CC2CCCCC2)CC3)c1 ZINC000585111399 570941570 /nfs/dbraw/zinc/94/15/70/570941570.db2.gz SERDLIINEPQPGF-UHFFFAOYSA-N 0 0 381.520 4.052 40 0 GIABRN CC(C)[C@H](C)NC(=O)c1nc(-c2ccn(Cc3cccnc3)c2)n2ccccc12 ZINC000306137068 570942496 /nfs/dbraw/zinc/94/24/96/570942496.db2.gz QKTBNGMIDFHBIP-KRWDZBQOSA-N 0 0 387.487 4.020 40 0 GIABRN O=C(CCC1CCCCC1)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 ZINC000585111303 570945665 /nfs/dbraw/zinc/94/56/65/570945665.db2.gz NPXYYTORPKEERA-NRFANRHFSA-N 0 0 381.520 4.022 40 0 GIABRN Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccc(-c5cccs5)cn4n3)C2)o1 ZINC000306142605 570945870 /nfs/dbraw/zinc/94/58/70/570945870.db2.gz XEHNCXSOBRZELZ-MRXNPFEDSA-N 0 0 392.484 4.379 40 0 GIABRN COC(=O)c1ccc2nc(NC(=O)c3ccc(OCC(C)C)cc3)sc2c1 ZINC000020412384 570946241 /nfs/dbraw/zinc/94/62/41/570946241.db2.gz DNAREOISLQVJPX-UHFFFAOYSA-N 0 0 384.457 4.370 40 0 GIABRN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000000849765 570946767 /nfs/dbraw/zinc/94/67/67/570946767.db2.gz IWIQHFKKLDYOGB-UHFFFAOYSA-N 0 0 375.837 4.129 40 0 GIABRN CC[C@@H](NS(=O)(=O)c1ccc(OC)c(Br)c1)c1ccc(C)cc1 ZINC000020495172 570949662 /nfs/dbraw/zinc/94/96/62/570949662.db2.gz OKSUUZPQZPHFLP-MRXNPFEDSA-N 0 0 398.322 4.196 40 0 GIABRN Cc1ccc(OCCCNC(=O)c2cc(-c3cccnc3)c3cnccc3n2)cc1 ZINC000019211041 570960415 /nfs/dbraw/zinc/96/04/15/570960415.db2.gz HBRBPTJMMDQDKQ-UHFFFAOYSA-N 0 0 398.466 4.199 40 0 GIABRN Cc1ccc(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)cc1-n1cccn1 ZINC000019214767 570961289 /nfs/dbraw/zinc/96/12/89/570961289.db2.gz UUZLIACMPFNIJB-LJQANCHMSA-N 0 0 391.471 4.381 40 0 GIABRN Cc1ccc([C@H](NC(=O)Cc2ccc3c(c2)C[C@H](C)O3)c2ccncc2)cc1C ZINC000019213565 570961380 /nfs/dbraw/zinc/96/13/80/570961380.db2.gz CQXPBJNPMFMKOY-AVRWGWEMSA-N 0 0 386.495 4.470 40 0 GIABRN CCOC(=O)c1c(C)[nH]c2ccc3c(c21)CN1CCc2cc(OC)ccc2[C@@H]1O3 ZINC000026153621 570961961 /nfs/dbraw/zinc/96/19/61/570961961.db2.gz VDDUJINYXKGZLV-QFIPXVFZSA-N 0 0 392.455 4.111 40 0 in-vitro GIABRN Cc1cc(-c2cnc(C)nc2[C@H]2CCCCN2C(=O)Cc2cccc(C)c2)on1 ZINC000019234742 570965526 /nfs/dbraw/zinc/96/55/26/570965526.db2.gz BXJSZWDRDAQCMN-HXUWFJFHSA-N 0 0 390.487 4.353 40 0 GIABRN COc1ccccc1CC(=O)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1C ZINC000019239589 570968750 /nfs/dbraw/zinc/96/87/50/570968750.db2.gz WAPRHXNUILRUII-HXUWFJFHSA-N 0 0 390.487 4.085 40 0 GIABRN COc1cc2c(cc1CN[C@H](Cc1cccs1)c1nc(C)cs1)OCO2 ZINC000019240077 570968831 /nfs/dbraw/zinc/96/88/31/570968831.db2.gz CITQUIULVIXKOI-OAHLLOKOSA-N 0 0 388.514 4.324 40 0 GIABRN COCCc1nnc(NC(=O)c2ccc3c(c2)nc(C)n3C2CCCCC2)s1 ZINC000019286552 570969633 /nfs/dbraw/zinc/96/96/33/570969633.db2.gz SAJDTTIOKQNACU-UHFFFAOYSA-N 0 0 399.520 4.143 40 0 GIABRN Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 ZINC000019286831 570970111 /nfs/dbraw/zinc/97/01/11/570970111.db2.gz FNKWIMCJQXUNBE-GOSISDBHSA-N 0 0 376.435 4.006 40 0 GIABRN Cc1nc2ccccc2n1C[C@@H](C)C(=O)N[C@H](C)c1nc2ccccc2s1 ZINC000019286729 570970134 /nfs/dbraw/zinc/97/01/34/570970134.db2.gz KUDGKZGCUXQTDI-ZIAGYGMSSA-N 0 0 378.501 4.468 40 0 GIABRN Cn1c(=O)cc(Oc2cccnc2)c2cc(NC(=O)c3cccc(F)c3)ccc21 ZINC000019289721 570971498 /nfs/dbraw/zinc/97/14/98/570971498.db2.gz ZTOXBMLBVNULAQ-UHFFFAOYSA-N 0 0 389.386 4.117 40 0 GIABRN O=C(C1CC1)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 ZINC000019344240 570977750 /nfs/dbraw/zinc/97/77/50/570977750.db2.gz KKKIHJZNZIOJBO-GFCCVEGCSA-N 0 0 381.423 4.340 40 0 GIABRN O=C(C1CC1)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 ZINC000019373270 570981147 /nfs/dbraw/zinc/98/11/47/570981147.db2.gz HPOGZVNJXSMKFQ-GOSISDBHSA-N 0 0 385.471 4.008 40 0 GIABRN Nc1cc2ccccc2nc1[C@H]1CCCN(C(=O)CCc2nc3ccccc3[nH]2)C1 ZINC000019376209 570982353 /nfs/dbraw/zinc/98/23/53/570982353.db2.gz NQRBVMRLLFRXAI-KRWDZBQOSA-N 0 0 399.498 4.032 40 0 GIABRN CC(C)CC(=O)N1CCC[C@@](Cc2ccccc2-c2cccs2)(C(N)=O)C1 ZINC000019446351 570983762 /nfs/dbraw/zinc/98/37/62/570983762.db2.gz XKEJCICRHZLRDJ-QFIPXVFZSA-N 0 0 384.545 4.098 40 0 GIABRN CC(C)CC(=O)N1CCC[C@@](Cc2ccc(-c3cccs3)cc2)(C(N)=O)C1 ZINC000019446299 570983922 /nfs/dbraw/zinc/98/39/22/570983922.db2.gz MKASUSOUKXRQCF-QFIPXVFZSA-N 0 0 384.545 4.098 40 0 GIABRN CC(C)c1nc(C2CCN(C(=O)c3ccncc3)CC2)ncc1-c1ccncc1 ZINC000019451552 570985640 /nfs/dbraw/zinc/98/56/40/570985640.db2.gz OGFCHBRCAJHZHY-UHFFFAOYSA-N 0 0 387.487 4.077 40 0 GIABRN O=C(NCc1ccc(Cl)cc1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000242841268 570985859 /nfs/dbraw/zinc/98/58/59/570985859.db2.gz FWDJRORNNTVANV-UHFFFAOYSA-N 0 0 391.298 4.162 40 0 GIABRN COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1 ZINC000242906089 570985906 /nfs/dbraw/zinc/98/59/06/570985906.db2.gz GQNFEHJPCZFAPA-UHFFFAOYSA-N 0 0 386.879 4.148 40 0 GIABRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@H](C)Cn2cnc3ccccc32)c1 ZINC000019457712 570987468 /nfs/dbraw/zinc/98/74/68/570987468.db2.gz FUTNVMGBVUQSFZ-UZLBHIALSA-N 0 0 393.487 4.053 40 0 GIABRN Cc1c(Br)cnn1CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000002780532 570989557 /nfs/dbraw/zinc/98/95/57/570989557.db2.gz OLSSJBULUCDVCZ-UHFFFAOYSA-N 0 0 382.346 4.448 40 0 GIABRN COc1ccc([C@H]2CCCN2C(=O)CCc2ccc3c(c2)C[C@@H](C)O3)c(OC)c1 ZINC000019498124 570990690 /nfs/dbraw/zinc/99/06/90/570990690.db2.gz OTMGMGZQQUDIHG-IIBYNOLFSA-N 0 0 395.499 4.324 40 0 GIABRN C[C@H]1Cc2cc(CCC(=O)N3CCC[C@H](COc4ccccc4F)C3)ccc2O1 ZINC000019498116 570990872 /nfs/dbraw/zinc/99/08/72/570990872.db2.gz MAASJQQDZZNDRB-HKUYNNGSSA-N 0 0 397.490 4.399 40 0 GIABRN CCC(CC)C(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(=O)NC)C1 ZINC000019500060 570991997 /nfs/dbraw/zinc/99/19/97/570991997.db2.gz ZQUMLALSZJFWQH-HSZRJFAPSA-N 0 0 398.572 4.359 40 0 GIABRN CCCC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2F)(C(=O)NCC)C1 ZINC000019501069 570992589 /nfs/dbraw/zinc/99/25/89/570992589.db2.gz KLBCYORIYBCQTJ-XMMPIXPASA-N 0 0 396.506 4.190 40 0 GIABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)C4CCCC4)C3)cc2N1 ZINC000019520658 570994112 /nfs/dbraw/zinc/99/41/12/570994112.db2.gz DKTXMWJFWBILHC-ZMSDIMECSA-N 0 0 398.473 4.477 40 0 GIABRN CCc1cc(C(=O)N2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)no1 ZINC000019522595 570995465 /nfs/dbraw/zinc/99/54/65/570995465.db2.gz JEQALTLGTJMXIN-UHFFFAOYSA-N 0 0 392.381 4.152 40 0 GIABRN COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2C)ccc1O ZINC000006925050 570997545 /nfs/dbraw/zinc/99/75/45/570997545.db2.gz JEKYBNHMSILYQO-NGYIFUPDSA-N 0 0 395.499 4.218 40 0 GIABRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1O ZINC000006641552 570997546 /nfs/dbraw/zinc/99/75/46/570997546.db2.gz WLYPXGJJPXLUDC-FRKPEAEDSA-N 0 0 393.823 4.430 40 0 GIABRN CCc1cc(Br)cc(Br)c1I ZINC000065356445 571000278 /nfs/dbraw/zinc/00/02/78/571000278.db2.gz ZWFJAYNKMFGPFT-UHFFFAOYSA-N 0 0 389.856 4.379 40 0 GIABRN Cc1nn(C[C@@H](C)C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c(C)c1C ZINC000019556895 571003933 /nfs/dbraw/zinc/00/39/33/571003933.db2.gz JXTGEXMWNFQFGE-IVZQSRNASA-N 0 0 399.535 4.119 40 0 GIABRN Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCN2Cc2cccc(F)c2)c1C ZINC000019558575 571004399 /nfs/dbraw/zinc/00/43/99/571004399.db2.gz QOWTWJKHAXISOU-LJQANCHMSA-N 0 0 395.482 4.291 40 0 GIABRN Cc1noc(-c2cnc(C)nc2[C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)c1C ZINC000019558435 571004430 /nfs/dbraw/zinc/00/44/30/571004430.db2.gz SYQRDHFNSCSUAD-IBGZPJMESA-N 0 0 394.450 4.102 40 0 GIABRN COc1ccc2c(C)c(C(=O)N[C@@H](c3nccn3C)c3ccc(F)cc3)oc2c1 ZINC000019565765 571007362 /nfs/dbraw/zinc/00/73/62/571007362.db2.gz KLPCJOMXNBGUMG-LJQANCHMSA-N 0 0 393.418 4.142 40 0 GIABRN COc1cc(NC(=O)Cc2ccc3c(c2)CCCO3)ccc1-n1nc(C)cc1C ZINC000019574698 571011062 /nfs/dbraw/zinc/01/10/62/571011062.db2.gz YDURNHXTXRSHDR-UHFFFAOYSA-N 0 0 391.471 4.004 40 0 GIABRN CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CCC2)C1 ZINC000019579749 571012654 /nfs/dbraw/zinc/01/26/54/571012654.db2.gz ICONRDRXZXJFAW-VWLOTQADSA-N 0 0 390.527 4.003 40 0 GIABRN COc1ccc(-c2cc(C(=O)N3CCC(Oc4ccccc4C)CC3)on2)cc1 ZINC000019660520 571025449 /nfs/dbraw/zinc/02/54/49/571025449.db2.gz KHTYYRUBFNYGOH-UHFFFAOYSA-N 0 0 392.455 4.342 40 0 GIABRN COc1cc(C)c(-c2csc(NC(=O)[C@H](C)n3nc(C)cc3C)n2)cc1C ZINC000019660620 571025735 /nfs/dbraw/zinc/02/57/35/571025735.db2.gz UVMCOZHZNGWVQB-HNNXBMFYSA-N 0 0 384.505 4.449 40 0 GIABRN Cc1cc2ncn(CCC(=O)N(C)Cc3ccc4c(c3)C[C@H](C)O4)c2cc1C ZINC000019661140 571025786 /nfs/dbraw/zinc/02/57/86/571025786.db2.gz SMWXLNVZHCOFIV-KRWDZBQOSA-N 0 0 377.488 4.025 40 0 GIABRN COc1cccc(Cc2cc(C)nc([C@H]3CCCN3Cc3ccnn3C)c2)c1 ZINC000019691990 571029528 /nfs/dbraw/zinc/02/95/28/571029528.db2.gz AQCYHONDNVGZDR-HSZRJFAPSA-N 0 0 376.504 4.060 40 0 GIABRN CC(C)C(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 ZINC000019694532 571030177 /nfs/dbraw/zinc/03/01/77/571030177.db2.gz VFRYYSKQGVVCNK-INIZCTEOSA-N 0 0 386.927 4.225 40 0 GIABRN Fc1ccc(OCCc2cc([C@H]3CCCN3Cc3ccccn3)[nH]n2)cc1F ZINC000019703690 571031519 /nfs/dbraw/zinc/03/15/19/571031519.db2.gz BZFZZLXOOZQTSP-OAQYLSRUSA-N 0 0 384.430 4.042 40 0 GIABRN CCC(=O)N1CCC(Cc2ccc(-c3ccccc3F)cc2)(C(=O)N(C)C)CC1 ZINC000019700430 571031572 /nfs/dbraw/zinc/03/15/72/571031572.db2.gz DSUWMNSDBZVXDC-UHFFFAOYSA-N 0 0 396.506 4.142 40 0 GIABRN CCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1cccc(F)c1)CCC2 ZINC000019706207 571032312 /nfs/dbraw/zinc/03/23/12/571032312.db2.gz RKQMHFPBHKIXCQ-FQEVSTJZSA-N 0 0 396.510 4.341 40 0 GIABRN O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc2c(c1)ncn2C1CC1 ZINC000019714330 571035960 /nfs/dbraw/zinc/03/59/60/571035960.db2.gz ZYRPDNZREQVLLJ-UHFFFAOYSA-N 0 0 396.878 4.114 40 0 GIABRN O=C(NCc1ccccc1N1CCCC1)c1cc(-n2cccn2)ccc1Cl ZINC000019715159 571036879 /nfs/dbraw/zinc/03/68/79/571036879.db2.gz LZDONHDXFTZCCG-UHFFFAOYSA-N 0 0 380.879 4.056 40 0 GIABRN Cc1ccc([C@]2(O)CCN(C(=O)c3cc(-c4ccccc4Cl)no3)C2)cc1 ZINC000019716803 571038667 /nfs/dbraw/zinc/03/86/67/571038667.db2.gz VZFGSUQPQQGICY-NRFANRHFSA-N 0 0 382.847 4.037 40 0 GIABRN O=C(Nc1ccc2c(c1)CN(Cc1ccccc1)C2)c1cc(-c2ccccn2)[nH]n1 ZINC000019717587 571040293 /nfs/dbraw/zinc/04/02/93/571040293.db2.gz YKFNXCIAQLWQJT-UHFFFAOYSA-N 0 0 395.466 4.240 40 0 GIABRN COc1cccc(CCNc2cc([C@H](C)Cn3nc(C)c(C)c3C)nc(C)n2)c1 ZINC000019717906 571040611 /nfs/dbraw/zinc/04/06/11/571040611.db2.gz SFSJHAMIKOMDQZ-OAHLLOKOSA-N 0 0 393.535 4.374 40 0 GIABRN Cn1c2ccc(NC(=O)CCc3nc4ccccc4[nH]3)cc2nc1C(F)(F)F ZINC000019717776 571040740 /nfs/dbraw/zinc/04/07/40/571040740.db2.gz RIFSKKQYCAWGCU-UHFFFAOYSA-N 0 0 387.365 4.040 40 0 GIABRN O=C(COc1ccc(Cl)cc1Cl)NCCSCc1cccs1 ZINC000005245584 817565662 /nfs/dbraw/zinc/56/56/62/817565662.db2.gz JDIGJELKMREFKB-UHFFFAOYSA-N 0 0 376.330 4.483 40 0 GIABRN Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1C1CCCC1 ZINC000005959691 817631991 /nfs/dbraw/zinc/63/19/91/817631991.db2.gz IOVIAORPQKWXMF-YBFXNURJSA-N 0 0 391.471 4.172 40 0 GIABRN OCCN(C(=S)Nc1cc2cccnc2c2cccnc12)C1=CCCC=C1 ZINC000006269365 817671852 /nfs/dbraw/zinc/67/18/52/817671852.db2.gz LUYKYBRDTXXHLE-UHFFFAOYSA-N 0 0 376.485 4.008 40 0 GIABRN Cc1ccc(OC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000006479632 817697193 /nfs/dbraw/zinc/69/71/93/817697193.db2.gz JWIQULDNLCSMFP-UHFFFAOYSA-N 0 0 380.465 4.497 40 0 GIABRN CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C(=O)OC)c2C)C1=O ZINC000006629548 817712766 /nfs/dbraw/zinc/71/27/66/817712766.db2.gz KULVBRYHUCKMLU-LDADJPATSA-N 0 0 398.484 4.327 40 0 GIABRN COc1cc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)cc(OC)c1OC ZINC000006866140 817720568 /nfs/dbraw/zinc/72/05/68/817720568.db2.gz IFRXKDWEZPQNEL-CHHVJCJISA-N 0 0 387.819 4.019 40 0 GIABRN CCN1C(=O)S[C@@H](Cc2ccc(OCc3ccccc3F)c(OC)c2)C1=O ZINC000006952422 817728620 /nfs/dbraw/zinc/72/86/20/817728620.db2.gz BBYJCDAYGHZJKI-SFHVURJKSA-N 0 0 389.448 4.040 40 0 GIABRN CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N/c1ccc(OC)cc1 ZINC000006954394 817729073 /nfs/dbraw/zinc/72/90/73/817729073.db2.gz IICGXVKBCOQYNV-HNPUNDFXSA-N 0 0 398.484 4.336 40 0 GIABRN O=C1S/C(=C/c2cccnc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000006970935 817732022 /nfs/dbraw/zinc/73/20/22/817732022.db2.gz BYRTZTMOOBRHBX-RIYZIHGNSA-N 0 0 375.247 4.081 40 0 GIABRN CC[C@H](Oc1ccc(C)cc1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000007495472 817854576 /nfs/dbraw/zinc/85/45/76/817854576.db2.gz HXDJKNXICQKRPH-NRFANRHFSA-N 0 0 386.923 4.463 40 0 GIABRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(C)c1 ZINC000007495615 817854751 /nfs/dbraw/zinc/85/47/51/817854751.db2.gz QMAGLOXFTLBCKW-SFHVURJKSA-N 0 0 386.923 4.381 40 0 GIABRN CSc1nc2sc(C(=O)N3CCCCCC3)cc2c(N2CCCCC2)n1 ZINC000007604217 817878092 /nfs/dbraw/zinc/87/80/92/817878092.db2.gz DDSVPRCEAFJDEX-UHFFFAOYSA-N 0 0 390.578 4.420 40 0 GIABRN COc1ccc(Cl)cc1-c1nc(Sc2ccc([N+](=O)[O-])cc2C=O)n[nH]1 ZINC000007610255 817879329 /nfs/dbraw/zinc/87/93/29/817879329.db2.gz VWYXNKKDTYCDFG-UHFFFAOYSA-N 0 0 390.808 4.006 40 0 GIABRN Cc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)c(C)c1 ZINC000007881442 817948780 /nfs/dbraw/zinc/94/87/80/817948780.db2.gz VCKRAEVJKYLWEP-WBVHZDCISA-N 0 0 399.874 4.124 40 0 GIABRN Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 ZINC000007881457 817948957 /nfs/dbraw/zinc/94/89/57/817948957.db2.gz YKLOYLGPOLJZFE-NVXWUHKLSA-N 0 0 399.874 4.124 40 0 GIABRN Cc1c(Br)ccc(NC(=O)COC(=O)/C=C/c2ccccc2)c1C ZINC000007939904 817965721 /nfs/dbraw/zinc/96/57/21/817965721.db2.gz IQHHJGUYOCYQMJ-DHZHZOJOSA-N 0 0 388.261 4.261 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccccc1OC ZINC000008050442 817989274 /nfs/dbraw/zinc/98/92/74/817989274.db2.gz CKRHZDFAANHEAC-QAPCUYQASA-N 0 0 384.476 4.020 40 0 GIABRN CCc1s/c(=N\C(=O)c2cccc(OC)c2)n(C)c1-c1ccc(OC)cc1 ZINC000008080445 817995975 /nfs/dbraw/zinc/99/59/75/817995975.db2.gz UBHQCSCVUJQJAZ-DQRAZIAOSA-N 0 0 382.485 4.074 40 0 GIABRN COc1ccc(C[C@@H]2SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OC ZINC000008164851 818009864 /nfs/dbraw/zinc/00/98/64/818009864.db2.gz IYVHQSRSDKNVTL-KRWDZBQOSA-N 0 0 391.876 4.164 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCCOc1ccc(OC)cc1 ZINC000015609136 818346881 /nfs/dbraw/zinc/34/68/81/818346881.db2.gz BRLPPNKJPYCPMA-MRXNPFEDSA-N 0 0 384.476 4.021 40 0 GIABRN COc1cccc(-c2ccc([C@@H]3CN(Cc4ccc(F)cc4)CCO3)nc2)c1 ZINC000019692570 818599371 /nfs/dbraw/zinc/59/93/71/818599371.db2.gz CVQQVYHHQQMYCS-QHCPKHFHSA-N 0 0 378.447 4.470 40 0 GIABRN CC(C)C(=O)N1CCO[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 ZINC000019692871 818599441 /nfs/dbraw/zinc/59/94/41/818599441.db2.gz AHBYSOADLHRSKN-IBGZPJMESA-N 0 0 392.421 4.247 40 0 GIABRN CCN(C(=O)c1cc2ccc(F)cc2[nH]1)[C@@H]1CN(C(C)=O)C2(C1)CCCCC2 ZINC000019704191 818600912 /nfs/dbraw/zinc/60/09/12/818600912.db2.gz AUAVXKZICHMAEU-SFHVURJKSA-N 0 0 385.483 4.093 40 0 GIABRN COc1cccc([C@@H]2CN(C(=O)CC3CCCCC3)[C@@H]3CCCCC(=O)N[C@@H]23)c1 ZINC000019712860 818602691 /nfs/dbraw/zinc/60/26/91/818602691.db2.gz SSXURQDMZWGMNJ-IMSXRSKXSA-N 0 0 398.547 4.019 40 0 GIABRN O=C(CCc1ccccc1)N1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000019713798 818603249 /nfs/dbraw/zinc/60/32/49/818603249.db2.gz UMPUHJBXQCSARS-PKTZIBPZSA-N 0 0 390.527 4.192 40 0 GIABRN O=C(CSc1nnc(-c2c(Cl)cccc2Cl)o1)Nc1ccncc1 ZINC000027752552 820282875 /nfs/dbraw/zinc/28/28/75/820282875.db2.gz NUQWLPYKORKOOP-UHFFFAOYSA-N 0 0 381.244 4.169 40 0 GIABRN COc1cccc(NC(=O)c2c(N)n(C(=O)c3ccc(C)cc3)c3ccccc32)c1 ZINC000028535512 820343713 /nfs/dbraw/zinc/34/37/13/820343713.db2.gz IMPPCDXHQQWNJE-UHFFFAOYSA-N 0 0 399.450 4.481 40 0 GIABRN O=C(CSCc1ccc(Br)cc1)Nc1ccc2c(c1)OCO2 ZINC000032793762 821008458 /nfs/dbraw/zinc/00/84/58/821008458.db2.gz GQFQICJKQDZCDF-UHFFFAOYSA-N 0 0 380.263 4.050 40 0 GIABRN COc1cc(C(=S)N2CCOCC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000033546295 821057327 /nfs/dbraw/zinc/05/73/27/821057327.db2.gz TWQRWOZSDSMMEY-UHFFFAOYSA-N 0 0 395.883 4.074 40 0 GIABRN COc1ccc(C(=O)NC(=S)Nc2cccc3cc(O)ccc32)cc1Cl ZINC000033701172 821058994 /nfs/dbraw/zinc/05/89/94/821058994.db2.gz VYRWHNVOBLYLTA-UHFFFAOYSA-N 0 0 386.860 4.334 40 0 GIABRN COc1ccccc1OCc1nnc(SCc2ccc(Cl)cc2)n1C ZINC000033729675 821059468 /nfs/dbraw/zinc/05/94/68/821059468.db2.gz MKBIRSINPSJNSJ-UHFFFAOYSA-N 0 0 375.881 4.348 40 0 GIABRN CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc3cc(O)ccc32)c1 ZINC000033794998 821060320 /nfs/dbraw/zinc/06/03/20/821060320.db2.gz NGQHHEGOOFZCHH-UHFFFAOYSA-N 0 0 380.469 4.459 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 ZINC000218920193 222590562 /nfs/dbraw/zinc/59/05/62/222590562.db2.gz YCKTYPHNRLVFHT-UHFFFAOYSA-N 0 0 382.243 4.414 40 0 GIABRN COc1ccc(OC[C@@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000218977897 222590839 /nfs/dbraw/zinc/59/08/39/222590839.db2.gz BGGWVWSJTLEVMM-GOSISDBHSA-N 0 0 391.467 4.472 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccccc3Cl)n2)c1 ZINC000219062756 222591640 /nfs/dbraw/zinc/59/16/40/222591640.db2.gz PLITYCMTRKJXRO-AWEZNQCLSA-N 0 0 385.851 4.124 40 0 GIABRN COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 ZINC000219024438 222591967 /nfs/dbraw/zinc/59/19/67/222591967.db2.gz VDXBEKQSUKSQJB-DLBZAZTESA-N 0 0 379.456 4.199 40 0 GIABRN C[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(C(C)(C)C)cc1 ZINC000219135663 222592206 /nfs/dbraw/zinc/59/22/06/222592206.db2.gz GPKXLVQMSKXBLV-INIZCTEOSA-N 0 0 392.499 4.238 40 0 GIABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000219215177 222593792 /nfs/dbraw/zinc/59/37/92/222593792.db2.gz NGWZBJISMQKLHR-IBGZPJMESA-N 0 0 378.472 4.154 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cccc(C)c3C)n2)cc1 ZINC000219311818 222594460 /nfs/dbraw/zinc/59/44/60/222594460.db2.gz UGCPLGUIGODFAI-KRWDZBQOSA-N 0 0 379.460 4.088 40 0 GIABRN O=C(CCCN1C(=O)c2cccc3cccc1c23)NCCCc1ccc(F)cc1 ZINC000219466485 222596223 /nfs/dbraw/zinc/59/62/23/222596223.db2.gz NESAALGZSALEBH-UHFFFAOYSA-N 0 0 390.458 4.468 40 0 GIABRN Cc1cc(C)cc(NC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 ZINC000220351751 222600264 /nfs/dbraw/zinc/60/02/64/222600264.db2.gz DLVDZKHBNLPQGQ-OAHLLOKOSA-N 0 0 394.924 4.058 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000222399510 222608067 /nfs/dbraw/zinc/60/80/67/222608067.db2.gz AWNSKEYQPBRZPX-LJQANCHMSA-N 0 0 398.572 4.008 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1 ZINC000222502084 222609470 /nfs/dbraw/zinc/60/94/70/222609470.db2.gz UXIOCQPWWNOUQL-JOCHJYFZSA-N 0 0 396.531 4.014 40 0 GIABRN Cc1cccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1C ZINC000222672941 222611410 /nfs/dbraw/zinc/61/14/10/222611410.db2.gz QHFFXQQLXQTHSV-LJQANCHMSA-N 0 0 396.531 4.014 40 0 GIABRN C[C@@H](NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000006084146 230843381 /nfs/dbraw/zinc/84/33/81/230843381.db2.gz IWSUBQOIHMWWLI-CHWSQXEVSA-N 0 0 396.270 4.181 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C ZINC000222682614 222611919 /nfs/dbraw/zinc/61/19/19/222611919.db2.gz MMJSNJAEGAMYSN-CQSZACIVSA-N 0 0 393.314 4.008 40 0 GIABRN Cc1cc(C)cc(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000010371785 230874537 /nfs/dbraw/zinc/87/45/37/230874537.db2.gz RMNILWFFLSUHFU-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN Cc1cccc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222709043 222613225 /nfs/dbraw/zinc/61/32/25/222613225.db2.gz HEWUHMUVDMLMMA-LJQANCHMSA-N 0 0 396.531 4.014 40 0 GIABRN Cc1ccc2c(cccc2NC(=S)NC(=O)c2ccc(OC(C)C)cc2)n1 ZINC000057315966 230937672 /nfs/dbraw/zinc/93/76/72/230937672.db2.gz LCRLXCHRMMYDSS-UHFFFAOYSA-N 0 0 379.485 4.457 40 0 GIABRN Cc1cccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222715827 222613428 /nfs/dbraw/zinc/61/34/28/222613428.db2.gz HDWMDDFHNQBEDN-LJQANCHMSA-N 0 0 380.532 4.260 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 ZINC000222777536 222614844 /nfs/dbraw/zinc/61/48/44/222614844.db2.gz GTNCPPKTHRKVIG-CQSZACIVSA-N 0 0 393.314 4.008 40 0 GIABRN COc1ccc(-c2csc(NC(=O)c3cccnc3Cl)n2)cc1OC ZINC000069096683 230949223 /nfs/dbraw/zinc/94/92/23/230949223.db2.gz VEPLDEBDCDRQQD-UHFFFAOYSA-N 0 0 375.837 4.128 40 0 GIABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(Br)cs1 ZINC000222859636 222617187 /nfs/dbraw/zinc/61/71/87/222617187.db2.gz VLJNTBUROFNXIP-ZIAGYGMSSA-N 0 0 382.352 4.288 40 0 GIABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 ZINC000222913607 222617904 /nfs/dbraw/zinc/61/79/04/222617904.db2.gz VSVXHJGIDWGSOT-UXHICEINSA-N 0 0 380.517 4.153 40 0 GIABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3c(C)cccc3C)o2)cc1 ZINC000151456486 231026613 /nfs/dbraw/zinc/02/66/13/231026613.db2.gz QGMWTVFWMCYGCG-UHFFFAOYSA-N 0 0 383.473 4.305 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)cc1C ZINC000408561574 231062012 /nfs/dbraw/zinc/06/20/12/231062012.db2.gz JWANXILMBLSOEA-UHFFFAOYSA-N 0 0 387.505 4.122 40 0 GIABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)N2CCCCC2)cc1 ZINC000408561593 231062189 /nfs/dbraw/zinc/06/21/89/231062189.db2.gz KDZIILDPNQTALF-UHFFFAOYSA-N 0 0 387.505 4.122 40 0 GIABRN Cc1ccc(C(=O)N2N=C(c3ccccc3)C[C@@]2(O)C(F)(F)F)c(Cl)c1 ZINC000408563884 231062850 /nfs/dbraw/zinc/06/28/50/231062850.db2.gz RPJOOTYIXQBMBP-QGZVFWFLSA-N 0 0 382.769 4.150 40 0 GIABRN Cc1ccc(OCc2ccc(C(=O)NCC(=O)Nc3ccccc3Cl)o2)cc1 ZINC000408563110 231063192 /nfs/dbraw/zinc/06/31/92/231063192.db2.gz UCVSEVHJYBCVQX-UHFFFAOYSA-N 0 0 398.846 4.189 40 0 GIABRN Cc1ccc(OCc2ccc(C(=O)NCC(=O)Nc3cccc(Cl)c3)o2)cc1 ZINC000408562752 231063204 /nfs/dbraw/zinc/06/32/04/231063204.db2.gz RZIBGMOUBIQBSW-UHFFFAOYSA-N 0 0 398.846 4.189 40 0 GIABRN O=c1[nH]c(CSc2nc(C34CC5CC(CC(C5)C3)C4)n[nH]2)nc2ccccc21 ZINC000408580639 231066624 /nfs/dbraw/zinc/06/66/24/231066624.db2.gz DILBKYMBMFKZAX-UHFFFAOYSA-N 0 0 393.516 4.214 40 0 GIABRN COc1ccc(-c2cc(C)nc(SCc3nc4ccccc4c(=O)[nH]3)n2)cc1 ZINC000408580564 231066893 /nfs/dbraw/zinc/06/68/93/231066893.db2.gz CJRVHRIFJSNBDS-UHFFFAOYSA-N 0 0 390.468 4.402 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)cc1 ZINC000408584904 231067355 /nfs/dbraw/zinc/06/73/55/231067355.db2.gz WLBQVIORBOLTKE-UHFFFAOYSA-N 0 0 387.505 4.204 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1)N1CCCCCC1 ZINC000408597308 231073404 /nfs/dbraw/zinc/07/34/04/231073404.db2.gz UVMPNYZBADNUKH-UHFFFAOYSA-N 0 0 391.468 4.034 40 0 GIABRN COc1ccc(C(=O)N2CCc3ccc(NC(=O)c4ccc(C)cc4)cc32)cc1 ZINC000222941419 222619444 /nfs/dbraw/zinc/61/94/44/222619444.db2.gz RXJGJMBINPZUGX-UHFFFAOYSA-N 0 0 386.451 4.459 40 0 GIABRN CCn1cc(C(=O)Nc2ccc(Br)cc2)c(=O)c2cc(C)ccc21 ZINC000408713302 231103791 /nfs/dbraw/zinc/10/37/91/231103791.db2.gz RVTOHAHPYJVFFG-UHFFFAOYSA-N 0 0 385.261 4.345 40 0 GIABRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccccc2C)cc1 ZINC000408624732 231085812 /nfs/dbraw/zinc/08/58/12/231085812.db2.gz VYBTVIMWFPWKLS-UHFFFAOYSA-N 0 0 378.501 4.053 40 0 GIABRN Cc1ccc(C(=O)OCC(=O)Nc2cc(C)c(Br)c(C)c2)cc1 ZINC000408646872 231091088 /nfs/dbraw/zinc/09/10/88/231091088.db2.gz QPYZCZQMXIDQEV-UHFFFAOYSA-N 0 0 376.250 4.170 40 0 GIABRN O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CCCCCC1)OCc1ccccc1 ZINC000408737046 231108331 /nfs/dbraw/zinc/10/83/31/231108331.db2.gz LFPYZMHKCHCCAX-QFIPXVFZSA-N 0 0 394.515 4.363 40 0 GIABRN C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Oc1ccccc1)c1ccccc1 ZINC000408998761 231144536 /nfs/dbraw/zinc/14/45/36/231144536.db2.gz BZGLSKDXLFGOEK-AVRDEDQJSA-N 0 0 388.467 4.264 40 0 GIABRN Cc1c(F)cccc1NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 ZINC000409001401 231145714 /nfs/dbraw/zinc/14/57/14/231145714.db2.gz IDYNCDWHLXDPSC-UHFFFAOYSA-N 0 0 376.431 4.021 40 0 GIABRN O=C1N/C(=C/c2ccccc2Cl)C(=O)N1Cc1ccc(Br)cc1 ZINC000408928346 231132646 /nfs/dbraw/zinc/13/26/46/231132646.db2.gz AFMYGXNCOAGPAE-OQLLNIDSSA-N 0 0 391.652 4.195 40 0 GIABRN COc1ccccc1OCCn1cc(C=C2SC(=O)NC2=O)c2ccccc21 ZINC000409126175 231167209 /nfs/dbraw/zinc/16/72/09/231167209.db2.gz AWXXCMSKNPZLDQ-UNOMPAQXSA-N 0 0 394.452 4.053 40 0 GIABRN Cc1cc2c(cc1/C=C1/SC(=O)N(CCCc3ccccc3)C1=O)OCO2 ZINC000409129652 231168074 /nfs/dbraw/zinc/16/80/74/231168074.db2.gz VNTFSEATDLWZCF-XDHOZWIPSA-N 0 0 381.453 4.393 40 0 GIABRN CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccccc1Cl ZINC000409152122 231172268 /nfs/dbraw/zinc/17/22/68/231172268.db2.gz DJJHYEDWGKDWGN-CJNGLKHVSA-N 0 0 392.956 4.405 40 0 GIABRN O=C(Cn1nc(COc2ccccc2)oc1=S)Nc1ccc(Cl)cc1 ZINC000409156146 231173111 /nfs/dbraw/zinc/17/31/11/231173111.db2.gz SEAKZNWQPNKMBU-UHFFFAOYSA-N 0 0 375.837 4.077 40 0 GIABRN C[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1ccc(C(C)(C)C)cc1)N2 ZINC000409062455 231153048 /nfs/dbraw/zinc/15/30/48/231153048.db2.gz VECAZDKWKKNVBU-XFHNUULXSA-N 0 0 382.426 4.483 40 0 GIABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2CC(C)C)cc1 ZINC000409095287 231159538 /nfs/dbraw/zinc/15/95/38/231159538.db2.gz HKCIHGAHCGWAAA-UHFFFAOYSA-N 0 0 381.505 4.035 40 0 GIABRN Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2C)n1-c1ccc(F)cc1 ZINC000409100802 231160884 /nfs/dbraw/zinc/16/08/84/231160884.db2.gz WVEJTHIPGAQVBP-UHFFFAOYSA-N 0 0 390.871 4.407 40 0 GIABRN CCn1c(SCC(=O)Nc2ncccc2C)nnc1-c1ccccc1Cl ZINC000409164520 231173476 /nfs/dbraw/zinc/17/34/76/231173476.db2.gz JQVNFZLSXFIZSJ-UHFFFAOYSA-N 0 0 387.896 4.053 40 0 GIABRN Cc1cccc(NC(=O)COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)c1C ZINC000409179585 231175835 /nfs/dbraw/zinc/17/58/35/231175835.db2.gz RPYODWJHFLDWML-UHFFFAOYSA-N 0 0 377.396 4.171 40 0 GIABRN O=C(Cn1ccsc1=NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000409198646 231178673 /nfs/dbraw/zinc/17/86/73/231178673.db2.gz JCHJRBUSKOPUKX-LNVKXUELSA-N 0 0 380.513 4.076 40 0 GIABRN Cc1cc(C)cc(N([C@H](C)C(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)c1 ZINC000409409244 231202043 /nfs/dbraw/zinc/20/20/43/231202043.db2.gz GIRHGGJOPDZMBX-OAHLLOKOSA-N 0 0 394.924 4.058 40 0 GIABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 ZINC000223018367 222623969 /nfs/dbraw/zinc/62/39/69/222623969.db2.gz XVAJGZIQFJTQQG-UXHICEINSA-N 0 0 384.549 4.007 40 0 GIABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 ZINC000223047596 222624796 /nfs/dbraw/zinc/62/47/96/222624796.db2.gz MZDTYKZBCXBAHA-UXHICEINSA-N 0 0 384.549 4.007 40 0 GIABRN CCc1ccccc1NC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)cc1 ZINC000408673904 529600520 /nfs/dbraw/zinc/60/05/20/529600520.db2.gz WBTLACXNUORAJH-CDHQVMDDSA-N 0 0 390.483 4.427 40 0 GIABRN CCc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000408708774 529650229 /nfs/dbraw/zinc/65/02/29/529650229.db2.gz SNJBHBPGTOMDKX-HNNXBMFYSA-N 0 0 391.298 4.225 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(C)c(C)c1 ZINC000223120370 222626453 /nfs/dbraw/zinc/62/64/53/222626453.db2.gz LFBNUYQLQXNIRX-RTBURBONSA-N 0 0 398.522 4.317 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000223193171 222627053 /nfs/dbraw/zinc/62/70/53/222627053.db2.gz YYQZGNVOCZTRBC-KRWDZBQOSA-N 0 0 386.923 4.216 40 0 GIABRN COC(=O)c1cc2cc(NC(=O)c3c(C)nc4ccc(C)cn43)ccc2s1 ZINC000223149232 222627076 /nfs/dbraw/zinc/62/70/76/222627076.db2.gz IFTKHTSMXWWMOS-UHFFFAOYSA-N 0 0 379.441 4.205 40 0 GIABRN CCc1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)cc1 ZINC000409204381 529693348 /nfs/dbraw/zinc/69/33/48/529693348.db2.gz GGKXBOITUUSJHC-WOJBJXKFSA-N 0 0 377.440 4.148 40 0 GIABRN CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C ZINC000223456710 222632806 /nfs/dbraw/zinc/63/28/06/222632806.db2.gz BYCZVCHJOLRPCR-LEWJYISDSA-N 0 0 391.544 4.088 40 0 GIABRN CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)C(C)C ZINC000223553442 222634839 /nfs/dbraw/zinc/63/48/39/222634839.db2.gz AWEZHMXXQZUTEJ-JOCHJYFZSA-N 0 0 396.531 4.337 40 0 GIABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223546711 222635288 /nfs/dbraw/zinc/63/52/88/222635288.db2.gz BECNHNNJGLYFDV-NRFANRHFSA-N 0 0 394.559 4.222 40 0 GIABRN CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C ZINC000223531951 222635490 /nfs/dbraw/zinc/63/54/90/222635490.db2.gz KHYKNTUAADAXCD-RTWAWAEBSA-N 0 0 391.544 4.088 40 0 GIABRN O=C(Cc1cccc(Br)c1)NCCOc1cccc2ccccc21 ZINC000223579104 222636136 /nfs/dbraw/zinc/63/61/36/222636136.db2.gz ZGASZSGNXUHACY-UHFFFAOYSA-N 0 0 384.273 4.340 40 0 GIABRN CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000223737718 222642186 /nfs/dbraw/zinc/64/21/86/222642186.db2.gz KPVLGBPZJQQRDG-UHFFFAOYSA-N 0 0 377.488 4.038 40 0 GIABRN Cc1ccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223808187 222644046 /nfs/dbraw/zinc/64/40/46/222644046.db2.gz NWDLERUIDFMXRG-HXUWFJFHSA-N 0 0 392.543 4.404 40 0 GIABRN Cc1cc(C)cc(CSCC(=O)NCC2(c3ccccc3)CCOCC2)c1 ZINC000223834239 222644578 /nfs/dbraw/zinc/64/45/78/222644578.db2.gz HCVKTGRSTYYCLO-UHFFFAOYSA-N 0 0 383.557 4.401 40 0 GIABRN CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(Br)c2)cc1 ZINC000223832398 222644782 /nfs/dbraw/zinc/64/47/82/222644782.db2.gz MBLVMMWORMPBAZ-GFCCVEGCSA-N 0 0 398.322 4.060 40 0 GIABRN Cc1nc(NC(=S)NCC2(c3ccccc3)CCOCC2)ccc1Cl ZINC000224010660 222648283 /nfs/dbraw/zinc/64/82/83/222648283.db2.gz CIAMVFIWVOXFMB-UHFFFAOYSA-N 0 0 375.925 4.078 40 0 GIABRN COc1ccc(C(=O)N2CCOCC2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224184972 222652247 /nfs/dbraw/zinc/65/22/47/222652247.db2.gz HSFGNHCICFJWOS-UHFFFAOYSA-N 0 0 383.488 4.044 40 0 GIABRN CCC(C)(C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000224236030 222652500 /nfs/dbraw/zinc/65/25/00/222652500.db2.gz SSWVVTHUUBZTRX-UHFFFAOYSA-N 0 0 394.924 4.084 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 ZINC000224366436 222655583 /nfs/dbraw/zinc/65/55/83/222655583.db2.gz WQYFQQDTLOUGPR-MRXNPFEDSA-N 0 0 381.472 4.457 40 0 GIABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C ZINC000224429539 222656239 /nfs/dbraw/zinc/65/62/39/222656239.db2.gz RRVMOGHZRXKNAJ-PMACEKPBSA-N 0 0 380.492 4.353 40 0 GIABRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)c1 ZINC000224527809 222657060 /nfs/dbraw/zinc/65/70/60/222657060.db2.gz SYTNSRVPSKBZMT-RTWAWAEBSA-N 0 0 392.528 4.223 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000224519451 222657136 /nfs/dbraw/zinc/65/71/36/222657136.db2.gz SXJCQSWWDMKBCM-JOCHJYFZSA-N 0 0 380.532 4.199 40 0 GIABRN CCOc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1COC ZINC000224690450 222661751 /nfs/dbraw/zinc/66/17/51/222661751.db2.gz GIEKEZAIQPQHRX-UHFFFAOYSA-N 0 0 379.840 4.155 40 0 GIABRN CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(C(=O)OC)cc3)o2)cc1 ZINC000224859738 222664188 /nfs/dbraw/zinc/66/41/88/222664188.db2.gz QSNPHWBEFNQKHT-UHFFFAOYSA-N 0 0 394.427 4.098 40 0 GIABRN CC1CCN(C(=O)CCc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000224888434 222665326 /nfs/dbraw/zinc/66/53/26/222665326.db2.gz XHZBQKCCOWENGR-UHFFFAOYSA-N 0 0 377.282 4.295 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 ZINC000224996122 222666676 /nfs/dbraw/zinc/66/66/76/222666676.db2.gz YGLDAONDXAUHLS-UXHICEINSA-N 0 0 396.531 4.178 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1 ZINC000224995744 222666681 /nfs/dbraw/zinc/66/66/81/222666681.db2.gz JCHBDLHRFHQDDA-VQTJNVASSA-N 0 0 396.531 4.014 40 0 GIABRN CCOC(=O)c1cccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)c1C ZINC000225065661 222668271 /nfs/dbraw/zinc/66/82/71/222668271.db2.gz QAHRMGRCJNIEEA-UHFFFAOYSA-N 0 0 383.469 4.150 40 0 GIABRN CCOc1ccccc1CNC(=S)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000225442716 222678320 /nfs/dbraw/zinc/67/83/20/222678320.db2.gz YAQNOVRQIQRNIK-UHFFFAOYSA-N 0 0 378.881 4.012 40 0 GIABRN CCOC(=O)c1cc(NC(=S)NCc2ccccc2OCC)ccc1Cl ZINC000225443270 222678929 /nfs/dbraw/zinc/67/89/29/222678929.db2.gz TYNCEQVYJXEPQJ-UHFFFAOYSA-N 0 0 392.908 4.402 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 ZINC000225527735 222682382 /nfs/dbraw/zinc/68/23/82/222682382.db2.gz GNVUDGXEYLLUAH-KNQAVFIVSA-N 0 0 380.532 4.260 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225534892 222682811 /nfs/dbraw/zinc/68/28/11/222682811.db2.gz CETQFKYPRDYHRV-HXUWFJFHSA-N 0 0 380.532 4.096 40 0 GIABRN CC(C)Oc1cccc(NC(=S)NCc2ccc(CN3CCCC3=O)cc2)c1 ZINC000225649864 222687084 /nfs/dbraw/zinc/68/70/84/222687084.db2.gz XSYQCJFTSQGWCM-UHFFFAOYSA-N 0 0 397.544 4.083 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 ZINC000225667505 222689220 /nfs/dbraw/zinc/68/92/20/222689220.db2.gz CKFMKXKPHDUFPX-XMSQKQJNSA-N 0 0 398.522 4.399 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)COc1ccccc1OC ZINC000225714603 222692903 /nfs/dbraw/zinc/69/29/03/222692903.db2.gz XKNFDRWHKDTTLM-LAUBAEHRSA-N 0 0 397.515 4.315 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1C ZINC000225718847 222693200 /nfs/dbraw/zinc/69/32/00/222693200.db2.gz QTHZFGMYGMVBGL-NRFANRHFSA-N 0 0 396.531 4.014 40 0 GIABRN COc1ccccc1OC[C@H](C)NC(=S)Nc1cccc(Br)c1 ZINC000225785495 222696827 /nfs/dbraw/zinc/69/68/27/222696827.db2.gz PPMHLLITOXHZDV-LBPRGKRZSA-N 0 0 395.322 4.212 40 0 GIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000225828358 222698735 /nfs/dbraw/zinc/69/87/35/222698735.db2.gz JFVNYMRFINRZRG-QGZVFWFLSA-N 0 0 383.473 4.318 40 0 GIABRN CCCO[C@](C)(C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1)C1CC1 ZINC000225857699 222701466 /nfs/dbraw/zinc/70/14/66/222701466.db2.gz NWOSRUWLBNZJFL-SZNDQCEHSA-N 0 0 377.481 4.184 40 0 GIABRN Cc1nc2cc(C(=O)Nc3ccc(Cc4noc(C(C)C)n4)cc3)ccc2n1C ZINC000225893299 222701987 /nfs/dbraw/zinc/70/19/87/222701987.db2.gz UJHOOSGTEMHMRN-UHFFFAOYSA-N 0 0 389.459 4.231 40 0 GIABRN C[C@H]1C[C@H](C)CN(c2cc(Cl)nc(NC(=S)NCc3ccccc3)n2)C1 ZINC000225929714 222703691 /nfs/dbraw/zinc/70/36/91/222703691.db2.gz UGTSGQKMVUZKLA-KBPBESRZSA-N 0 0 389.956 4.099 40 0 GIABRN O=C(CC1(O)CCCCC1)N1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000257207008 222753093 /nfs/dbraw/zinc/75/30/93/222753093.db2.gz BFWSMJVBZFMRCQ-INIZCTEOSA-N 0 0 386.521 4.031 40 0 GIABRN C[C@]1(O)CCN(C(=O)c2cccc(Cl)c2)C[C@@H]1Oc1cccc(Cl)c1 ZINC000257257938 222764872 /nfs/dbraw/zinc/76/48/72/222764872.db2.gz KRRXVZUFTVPALY-HKUYNNGSSA-N 0 0 380.271 4.038 40 0 GIABRN O=C(NCc1cccs1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 ZINC000257288447 222770606 /nfs/dbraw/zinc/77/06/06/222770606.db2.gz PUFOTELEFYUIHD-UHFFFAOYSA-N 0 0 392.524 4.466 40 0 GIABRN Cc1noc(C)c1-c1cnc(CC[C@@H]2CCCN2C(=O)c2cccc(F)c2)cn1 ZINC000257297267 222771265 /nfs/dbraw/zinc/77/12/65/222771265.db2.gz RGNVTSZXLVLWKB-IBGZPJMESA-N 0 0 394.450 4.125 40 0 GIABRN CCc1[nH]nc(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)c1C ZINC000257310660 222774493 /nfs/dbraw/zinc/77/44/93/222774493.db2.gz UFZUTGGCNXQOMM-INIZCTEOSA-N 0 0 396.466 4.018 40 0 GIABRN CC(C)Cn1cnc2c1C1(CCN(c3ncc(F)cn3)CC1)Oc1ccccc1-2 ZINC000306144149 222803660 /nfs/dbraw/zinc/80/36/60/222803660.db2.gz YXSXGNDJJXYTJK-UHFFFAOYSA-N 0 0 393.466 4.023 40 0 GIABRN O=C(OCC(F)(F)F)c1ccc2cc(C(=O)OCC(F)(F)F)ccc2c1 ZINC000001713079 212254106 /nfs/dbraw/zinc/25/41/06/212254106.db2.gz RATGPXOVWITCOD-UHFFFAOYSA-N 0 0 380.240 4.278 40 0 GIABRN O=C(NC1C2CC3CC(C2)CC1C3)/C(Cl)=C1\Sc2ccccc2NC1=O ZINC000001624634 212250131 /nfs/dbraw/zinc/25/01/31/212250131.db2.gz VSRUGCAIVWHLGG-FBMGVBCBSA-N 0 0 388.920 4.122 40 0 GIABRN CC(=O)c1cccc(NC(=O)N2CCC[C@H]2C(=O)Nc2c(C)cccc2C)c1 ZINC000001343686 212237252 /nfs/dbraw/zinc/23/72/52/212237252.db2.gz BDXXGXDYUIOMHH-IBGZPJMESA-N 0 0 379.460 4.141 40 0 GIABRN COc1ccc(NN2C(=O)/C(=C/c3ccccc3O)N=C2c2ccccc2)cc1 ZINC000001092246 212216524 /nfs/dbraw/zinc/21/65/24/212216524.db2.gz MDFYMKCRXCRQKG-HKWRFOASSA-N 0 0 385.423 4.058 40 0 GIABRN Cc1nc(-c2c(-c3ccc4c(c3O)OCO4)nc(C)nc2C(F)(F)F)cs1 ZINC000001084305 212215539 /nfs/dbraw/zinc/21/55/39/212215539.db2.gz RQBXINRBXGCSLS-UHFFFAOYSA-N 0 0 395.362 4.337 40 0 GIABRN Cc1cccc(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1 ZINC000000835317 212187383 /nfs/dbraw/zinc/18/73/83/212187383.db2.gz STJIVKMVCRUPOQ-UHFFFAOYSA-N 0 0 394.496 4.214 40 0 GIABRN COc1ccc(Nc2nc(C(=O)N3c4ccccc4C[C@H]3C)cs2)cc1OC ZINC000009240260 212170084 /nfs/dbraw/zinc/17/00/84/212170084.db2.gz DYAQQYJARQTVDT-CYBMUJFWSA-N 0 0 395.484 4.495 40 0 GIABRN Cc1cccc(Cc2cnc(NC(=O)c3cc4ccccc4oc3=O)s2)c1 ZINC000000848393 212143444 /nfs/dbraw/zinc/14/34/44/212143444.db2.gz OLMZIUYGESBLTF-UHFFFAOYSA-N 0 0 376.437 4.401 40 0 GIABRN CCOC(=O)[C@@H]1CC(=O)N(c2ccc3oc(-c4cccc(Cl)c4)nc3c2)C1 ZINC000057326991 212131758 /nfs/dbraw/zinc/13/17/58/212131758.db2.gz UYOOSDVDOJNPJS-CYBMUJFWSA-N 0 0 384.819 4.064 40 0 GIABRN CCOC(=O)[C@@H]1CC(=O)N(c2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)C1 ZINC000045887263 212118257 /nfs/dbraw/zinc/11/82/57/212118257.db2.gz NQSUINFFIOTADC-CQSZACIVSA-N 0 0 398.846 4.373 40 0 GIABRN Cc1ccc2[nH]c(=O)c(-c3nc4c(C)cccn4c3NC[C@@H]3CCCO3)cc2c1 ZINC000035290694 212116531 /nfs/dbraw/zinc/11/65/31/212116531.db2.gz MZFPUNKSALDYTL-KRWDZBQOSA-N 0 0 388.471 4.051 40 0 GIABRN CCOC(=O)[C@@H]1CC(=O)N(c2cccc(-c3nc4cc(Cl)ccc4o3)c2)C1 ZINC000045887106 212119429 /nfs/dbraw/zinc/11/94/29/212119429.db2.gz MKRNTPWCMIOKMD-CYBMUJFWSA-N 0 0 384.819 4.064 40 0 GIABRN Nc1c(Br)cc(C(=O)OC2CCCCC2)cc1Br ZINC000020134533 212110950 /nfs/dbraw/zinc/11/09/50/212110950.db2.gz LEAXYUWSYQLZCU-UHFFFAOYSA-N 0 0 377.076 4.283 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2ccccc2C(F)(F)F)cc(-c2cccnc2)n1 ZINC000329060816 212094276 /nfs/dbraw/zinc/09/42/76/212094276.db2.gz WNZNPYNWLCTEAY-ZDUSSCGKSA-N 0 0 387.409 4.355 40 0 GIABRN Fc1cc(F)c(Nc2cc(C(F)(F)F)nc(NC3CCCCC3)n2)c(F)c1 ZINC000329049590 212094507 /nfs/dbraw/zinc/09/45/07/212094507.db2.gz UQWIUGJLMFFHOB-UHFFFAOYSA-N 0 0 390.331 4.245 40 0 GIABRN Cc1cccc(Cl)c1Nc1cc(-c2cccnc2)nc(N[C@H](CO)C(C)C)n1 ZINC000329033231 212094157 /nfs/dbraw/zinc/09/41/57/212094157.db2.gz QRTJMNNWINZMPM-GOSISDBHSA-N 0 0 397.910 4.095 40 0 GIABRN FC(F)(F)Oc1ccc2c(c1)CN(c1cc(NC3CCCC3)ncn1)CC2 ZINC000329026086 212093541 /nfs/dbraw/zinc/09/35/41/212093541.db2.gz PJTQXTMUMDZVPW-UHFFFAOYSA-N 0 0 378.398 4.292 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2Cl)cc(C2CC2)n1 ZINC000329020851 212093566 /nfs/dbraw/zinc/09/35/66/212093566.db2.gz OEAGTBXMKHAKPQ-HNNXBMFYSA-N 0 0 381.307 4.255 40 0 GIABRN C[C@H](O)c1ccc2c(c1)CCN(c1cc(C3CC3)nc(Nc3ccccc3)n1)C2 ZINC000329020835 212093091 /nfs/dbraw/zinc/09/30/91/212093091.db2.gz ODMUKQYQMQOSFV-INIZCTEOSA-N 0 0 386.499 4.136 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2ccc(OC(F)F)cc2)cc(C(F)(F)F)n1 ZINC000328979991 212092734 /nfs/dbraw/zinc/09/27/34/212092734.db2.gz GJXIPZAZZSRXQN-VIFPVBQESA-N 0 0 376.329 4.473 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2ccccc2Br)cc(C(F)(F)F)n1 ZINC000328985796 212092101 /nfs/dbraw/zinc/09/21/01/212092101.db2.gz HVLRZEBMSCCQQT-SECBINFHSA-N 0 0 389.219 4.056 40 0 GIABRN COc1ccc(C(F)(F)F)cc1Nc1cc(Cl)nc(-c2ccncc2)n1 ZINC000329066636 212095268 /nfs/dbraw/zinc/09/52/68/212095268.db2.gz YCXKXZZRXBXVPV-UHFFFAOYSA-N 0 0 380.757 4.385 40 0 GIABRN Fc1cc(F)c(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)c(F)c1 ZINC000329047056 212095086 /nfs/dbraw/zinc/09/50/86/212095086.db2.gz UEGUDAWEVUVVRB-UHFFFAOYSA-N 0 0 399.420 4.288 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(Nc2cc(F)ccc2F)cc(-c2ccccc2)n1 ZINC000328996640 212091507 /nfs/dbraw/zinc/09/15/07/212091507.db2.gz JKWRFZSJBADHMT-IBGZPJMESA-N 0 0 384.430 4.016 40 0 GIABRN Fc1cc(Br)ccc1Nc1cc(Cl)nc(-c2ccncc2)n1 ZINC000328979204 212090355 /nfs/dbraw/zinc/09/03/55/212090355.db2.gz GESCLLVELIRUID-UHFFFAOYSA-N 0 0 379.620 4.259 40 0 GIABRN COc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000014006304 533024855 /nfs/dbraw/zinc/02/48/55/533024855.db2.gz PFLLNNXAQZCMAU-KRWDZBQOSA-N 0 0 396.487 4.117 40 0 GIABRN CSc1nc2sc(C(=O)NC3CCCC3)cc2c(N2CCCCC2)n1 ZINC000408620209 533081528 /nfs/dbraw/zinc/08/15/28/533081528.db2.gz LBRMSUSFSFAIAN-UHFFFAOYSA-N 0 0 376.551 4.076 40 0 GIABRN CSc1nc2sc(C(=O)NC3CCCCC3)cc2c(N2CCCC2)n1 ZINC000408622360 533081624 /nfs/dbraw/zinc/08/16/24/533081624.db2.gz PTWBYLFFSPKEDH-UHFFFAOYSA-N 0 0 376.551 4.076 40 0 GIABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2C)c1 ZINC000000894675 220463937 /nfs/dbraw/zinc/46/39/37/220463937.db2.gz BVOGAQJTGSGOKJ-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN Cc1cc(C)cc(-c2nnc(SCC(=O)N3c4ccccc4C[C@H]3C)o2)c1 ZINC000000929474 220467185 /nfs/dbraw/zinc/46/71/85/220467185.db2.gz CQXXEWKBMRUIDB-OAHLLOKOSA-N 0 0 379.485 4.423 40 0 GIABRN CC(=O)Oc1cc(C)c2c(c1)O[C@@]1(C[C@H]2c2ccccc2)CC(C)(C)NC(=O)N1 ZINC000001441344 220497762 /nfs/dbraw/zinc/49/77/62/220497762.db2.gz CPICVDHGSFJJEY-MBSDFSHPSA-N 0 0 394.471 4.013 40 0 GIABRN COc1ccccc1NC(=S)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000001325634 220487791 /nfs/dbraw/zinc/48/77/91/220487791.db2.gz YHGIMLPOHVFCLL-UHFFFAOYSA-N 0 0 395.450 4.233 40 0 GIABRN Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)c3ccco3)cc2c1 ZINC000001359203 220489317 /nfs/dbraw/zinc/48/93/17/220489317.db2.gz DFKYFKSKFVSETN-UHFFFAOYSA-N 0 0 378.453 4.334 40 0 GIABRN Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=O)c3ccccc3)c(=O)[nH]c2c1 ZINC000001359709 220489845 /nfs/dbraw/zinc/48/98/45/220489845.db2.gz CVZDZMNOEAZGEB-UHFFFAOYSA-N 0 0 397.478 4.383 40 0 GIABRN Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1C ZINC000003482256 220650179 /nfs/dbraw/zinc/65/01/79/220650179.db2.gz JSOKDVGNIYOLPM-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN CCC(=O)N(Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000004231049 220694328 /nfs/dbraw/zinc/69/43/28/220694328.db2.gz QNUPXMZYEAWADB-UHFFFAOYSA-N 0 0 378.472 4.092 40 0 GIABRN Nc1c2cc3cc4c(cc3nc2sc1C(=O)Nc1ccccc1)OCCO4 ZINC000004848844 220775370 /nfs/dbraw/zinc/77/53/70/220775370.db2.gz HUWYZVIBSQOCDC-UHFFFAOYSA-N 0 0 377.425 4.055 40 0 GIABRN CCN(CC)C(=O)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004861489 220780072 /nfs/dbraw/zinc/78/00/72/220780072.db2.gz HLNIHSHZVJINSS-UHFFFAOYSA-N 0 0 377.488 4.301 40 0 GIABRN O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000004967882 220802016 /nfs/dbraw/zinc/80/20/16/220802016.db2.gz GGIGXRLDZYZKCJ-OAHLLOKOSA-N 0 0 385.920 4.483 40 0 GIABRN O=C(Cc1ccccc1)NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000005660427 220890284 /nfs/dbraw/zinc/89/02/84/220890284.db2.gz DNWCLYIMDNMWGZ-UHFFFAOYSA-N 0 0 395.509 4.056 40 0 GIABRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(C)c3)c2)cc1 ZINC000006339128 220930986 /nfs/dbraw/zinc/93/09/86/220930986.db2.gz WEUQWILQPSARMA-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cs2)c1 ZINC000006680953 220951040 /nfs/dbraw/zinc/95/10/40/220951040.db2.gz XQASZXKQBZQIHD-CQSZACIVSA-N 0 0 392.546 4.038 40 0 GIABRN CC1CCN(S(=O)(=O)c2csc(C(=O)Nc3ccccc3Cl)c2)CC1 ZINC000006680677 220951232 /nfs/dbraw/zinc/95/12/32/220951232.db2.gz HBKKJEWEQTZQCF-UHFFFAOYSA-N 0 0 398.937 4.074 40 0 GIABRN COc1ccc(Br)cc1/C=C/C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000006646889 220946507 /nfs/dbraw/zinc/94/65/07/220946507.db2.gz DKROAYJMIPSQRI-GORDUTHDSA-N 0 0 390.321 4.412 40 0 GIABRN NC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCC2 ZINC000006885939 220975532 /nfs/dbraw/zinc/97/55/32/220975532.db2.gz XLOLZFPYFPGFIS-UHFFFAOYSA-N 0 0 376.890 4.456 40 0 GIABRN CCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000008080904 221025706 /nfs/dbraw/zinc/02/57/06/221025706.db2.gz QUHZJLHZNBPCNE-UHFFFAOYSA-N 0 0 398.459 4.441 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccccc3)no2)cc1 ZINC000008073549 221025815 /nfs/dbraw/zinc/02/58/15/221025815.db2.gz VUKBRQZLOQOIGL-UHFFFAOYSA-N 0 0 393.443 4.265 40 0 GIABRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccccc1Cl ZINC000008076903 221026282 /nfs/dbraw/zinc/02/62/82/221026282.db2.gz IEJNZQWIFUTJPA-UHFFFAOYSA-N 0 0 376.243 4.292 40 0 GIABRN Cc1cccc(N(CC(=O)c2ccc3c(c2)OCCO3)C2=NCCCS2)c1C ZINC000008415113 221040861 /nfs/dbraw/zinc/04/08/61/221040861.db2.gz NNWBFXZCESXQON-UHFFFAOYSA-N 0 0 396.512 4.257 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)CCNc3ccccc3)cc2)cc1 ZINC000008783520 221060181 /nfs/dbraw/zinc/06/01/81/221060181.db2.gz PMQNTOWQTVCAAJ-UHFFFAOYSA-N 0 0 394.496 4.481 40 0 GIABRN COc1ccccc1CN(C(=O)Nc1ccccc1)c1nnc2n1CCCCC2 ZINC000008495993 221043665 /nfs/dbraw/zinc/04/36/65/221043665.db2.gz CTJSOWXKDLAREU-UHFFFAOYSA-N 0 0 391.475 4.252 40 0 GIABRN Cc1nn(-c2ccccn2)c(C)c1[C@@H]1C=C[C@@H](NC(=S)Nc2ccccc2)C1 ZINC000008636060 221048557 /nfs/dbraw/zinc/04/85/57/221048557.db2.gz AGSZLIAGVQOCAV-IEBWSBKVSA-N 0 0 389.528 4.283 40 0 biogenic,in-vitro GIABRN COc1cccc(C=O)c1OCCCSc1nnc(-c2ccc(C)cc2)o1 ZINC000008731660 221052188 /nfs/dbraw/zinc/05/21/88/221052188.db2.gz IKEWQDFAKZPTNB-UHFFFAOYSA-N 0 0 384.457 4.427 40 0 GIABRN C[C@H]1C[C@]2(C[C@@](C)(c3csc(Nc4ccccc4Cl)n3)OC2=O)C(=O)O1 ZINC000009350431 221077845 /nfs/dbraw/zinc/07/78/45/221077845.db2.gz ULQYHZMLWOHSDY-OXNYHJJDSA-N 0 0 392.864 4.024 40 0 GIABRN O=C(NCCCc1ccccc1Cl)c1ccccc1I ZINC000010542293 221104862 /nfs/dbraw/zinc/10/48/62/221104862.db2.gz PRZAENNFKNUVOP-UHFFFAOYSA-N 0 0 399.659 4.307 40 0 GIABRN Cc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1NS(C)(=O)=O ZINC000010314264 221100031 /nfs/dbraw/zinc/10/00/31/221100031.db2.gz NAUYLTKQPNWYJR-UHFFFAOYSA-N 0 0 396.468 4.411 40 0 GIABRN COC(=O)c1cccc(NC(=O)CSCc2ccccc2Br)c1 ZINC000010295379 221100339 /nfs/dbraw/zinc/10/03/39/221100339.db2.gz GTJJEPISOGIHRK-UHFFFAOYSA-N 0 0 394.290 4.108 40 0 GIABRN Cc1nc2cc(C(=O)N3CCC[C@@H](c4nc5ccccc5cc4N)C3)ccc2n1C ZINC000012088009 221149076 /nfs/dbraw/zinc/14/90/76/221149076.db2.gz YCQVMJUEHCEKKU-GOSISDBHSA-N 0 0 399.498 4.032 40 0 GIABRN C[C@@H](Nc1c2c(nc3cc(C4CCOCC4)nn31)CCCC2)c1ccccn1 ZINC000012088786 221149217 /nfs/dbraw/zinc/14/92/17/221149217.db2.gz FDCXYOPMSZJKBT-OAHLLOKOSA-N 0 0 377.492 4.070 40 0 GIABRN CCc1nc2ccccc2n1CC(=O)NC1(c2ccccc2OC)CCCC1 ZINC000012115979 221151693 /nfs/dbraw/zinc/15/16/93/221151693.db2.gz BMNOQHGZXSSZGT-UHFFFAOYSA-N 0 0 377.488 4.193 40 0 GIABRN Cc1ccccc1[C@@H](NC(=O)Cn1ccnc1-c1ccccc1)c1ccncc1 ZINC000012116875 221151867 /nfs/dbraw/zinc/15/18/67/221151867.db2.gz NLBRUBXQAHUAJD-QHCPKHFHSA-N 0 0 382.467 4.159 40 0 GIABRN C[C@H](NC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1nnc(-c2ccncc2)[nH]1 ZINC000012114844 221152385 /nfs/dbraw/zinc/15/23/85/221152385.db2.gz PZLUBPRYMLQALV-AWEZNQCLSA-N 0 0 395.894 4.209 40 0 GIABRN Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc4ncccc4c3)cc12 ZINC000012118162 221152876 /nfs/dbraw/zinc/15/28/76/221152876.db2.gz GRCRGHQKRUOOAF-UHFFFAOYSA-N 0 0 381.439 4.183 40 0 GIABRN O=C(CCc1cccnc1)N1C[C@@H](c2ccccc2)[C@H](c2cc(C(F)F)n[nH]2)C1 ZINC000012129262 221155556 /nfs/dbraw/zinc/15/55/56/221155556.db2.gz XZTABJVKDQNWHZ-ZWKOTPCHSA-N 0 0 396.441 4.085 40 0 GIABRN Cc1c(C(=O)N(C)Cc2nc3cc(Cl)ccc3[nH]2)[nH]nc1-c1ccccc1 ZINC000012147537 221159606 /nfs/dbraw/zinc/15/96/06/221159606.db2.gz MRZKHXJEDAJDPY-UHFFFAOYSA-N 0 0 379.851 4.187 40 0 GIABRN CC[C@@H](C(=O)Nc1nnc(Cc2cccc(F)c2)s1)n1cnc2ccccc21 ZINC000012148322 221160491 /nfs/dbraw/zinc/16/04/91/221160491.db2.gz NWMWGNINFDXINH-INIZCTEOSA-N 0 0 395.463 4.208 40 0 GIABRN O=C(CCc1ccc(Cl)cc1)N1CCC[C@@H](c2noc(-c3ccccn3)n2)C1 ZINC000012327592 221182428 /nfs/dbraw/zinc/18/24/28/221182428.db2.gz WCLHDSYQYZGZMC-MRXNPFEDSA-N 0 0 396.878 4.124 40 0 GIABRN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N[C@H](C)c1nc(-c2cccnc2)no1 ZINC000012202365 221166264 /nfs/dbraw/zinc/16/62/64/221166264.db2.gz CTSPQWGYONAHHU-CQSZACIVSA-N 0 0 375.432 4.029 40 0 GIABRN COc1ccc(C2(NC(=O)c3ccc(Cn4cccn4)cc3)CCCC2)cc1 ZINC000012197654 221166368 /nfs/dbraw/zinc/16/63/68/221166368.db2.gz PLQLJKSNQWJMQS-UHFFFAOYSA-N 0 0 375.472 4.139 40 0 GIABRN Cc1cc(C(=O)NCCc2nc(-c3ccccc3)no2)c2cccc(Cl)c2n1 ZINC000012198346 221166530 /nfs/dbraw/zinc/16/65/30/221166530.db2.gz RUSYMMHJSNRVML-UHFFFAOYSA-N 0 0 392.846 4.219 40 0 GIABRN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000012202370 221166652 /nfs/dbraw/zinc/16/66/52/221166652.db2.gz CTSPQWGYONAHHU-AWEZNQCLSA-N 0 0 375.432 4.029 40 0 GIABRN O=C(NCc1noc(-c2ccccc2)n1)C(c1cccs1)c1cccs1 ZINC000012202917 221168444 /nfs/dbraw/zinc/16/84/44/221168444.db2.gz JNAGQOXIIOXUAO-UHFFFAOYSA-N 0 0 381.482 4.308 40 0 GIABRN Cc1cc(C(=O)NCc2noc(-c3ccccc3)n2)c2cccc(Cl)c2n1 ZINC000012203119 221168465 /nfs/dbraw/zinc/16/84/65/221168465.db2.gz OYHBJRPWIAXGJC-UHFFFAOYSA-N 0 0 378.819 4.177 40 0 GIABRN Cc1ccc(C(=O)NCCCn2c(-c3ccc(F)cc3)cc3cccnc32)cn1 ZINC000012223149 221170717 /nfs/dbraw/zinc/17/07/17/221170717.db2.gz BPWWOFWHOMTNPQ-UHFFFAOYSA-N 0 0 388.446 4.366 40 0 GIABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN3Cc3ccncc3C)cc2n1 ZINC000012223022 221170993 /nfs/dbraw/zinc/17/09/93/221170993.db2.gz XUSXWSRGBHBHFQ-MRXNPFEDSA-N 0 0 375.398 4.097 40 0 GIABRN CCc1[nH]c2ccc(C(=O)N3CCC(O)(c4ccccc4C)CC3)cc2c1C ZINC000012290304 221174173 /nfs/dbraw/zinc/17/41/73/221174173.db2.gz HCVWFANCJQNWKB-UHFFFAOYSA-N 0 0 376.500 4.471 40 0 GIABRN Cc1ccc(C2=NN[C@@](C)([C@@]3(C)NN=C(c4ccc(C)cc4)S3)S2)cc1 ZINC000012447663 221196730 /nfs/dbraw/zinc/19/67/30/221196730.db2.gz PRRHQQFNORLYJL-BGYRXZFFSA-N 0 0 382.558 4.432 40 0 GIABRN Cc1cc(C(C)(C)C)oc1C(=O)N1CCC(c2noc(-c3ccccn3)n2)CC1 ZINC000012668686 221218439 /nfs/dbraw/zinc/21/84/39/221218439.db2.gz IRDCSFDFTVLWHI-UHFFFAOYSA-N 0 0 394.475 4.350 40 0 GIABRN Cc1ccccc1CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccco1)C3 ZINC000013634330 221278460 /nfs/dbraw/zinc/27/84/60/221278460.db2.gz YQUMWPUULJCHHZ-OAHLLOKOSA-N 0 0 390.468 4.231 40 0 GIABRN CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1cc(OC)cc(OC)c1 ZINC000013479865 221268801 /nfs/dbraw/zinc/26/88/01/221268801.db2.gz KWKCTPGPUQQWCR-UHFFFAOYSA-N 0 0 394.471 4.318 40 0 GIABRN CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1cccc(OC)c1 ZINC000013479928 221269529 /nfs/dbraw/zinc/26/95/29/221269529.db2.gz KSNIRHMMJZZXDL-UHFFFAOYSA-N 0 0 380.444 4.010 40 0 GIABRN CCCCOc1ccc(NCc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1 ZINC000013561325 221272849 /nfs/dbraw/zinc/27/28/49/221272849.db2.gz JRIVLUMTFXBJPR-UHFFFAOYSA-N 0 0 382.460 4.336 40 0 GIABRN COc1cc(CN(Cc2cccnc2)Cc2ccccc2F)cc(OC)c1OC ZINC000013568998 221274563 /nfs/dbraw/zinc/27/45/63/221274563.db2.gz AHKQVZVNXBFAPZ-UHFFFAOYSA-N 0 0 396.462 4.449 40 0 GIABRN Cc1ccc(C)c(OCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 ZINC000013684377 221280700 /nfs/dbraw/zinc/28/07/00/221280700.db2.gz YBWVGHYDORATGG-UHFFFAOYSA-N 0 0 388.467 4.251 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1cccc2ccccc21 ZINC000013684151 221280867 /nfs/dbraw/zinc/28/08/67/221280867.db2.gz UEAKANZVUPYUQX-MRXNPFEDSA-N 0 0 376.456 4.386 40 0 GIABRN CC(C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc2ccccc21 ZINC000013685389 221281152 /nfs/dbraw/zinc/28/11/52/221281152.db2.gz QIVJRDRNBBOMTI-INIZCTEOSA-N 0 0 376.456 4.384 40 0 GIABRN CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 ZINC000013685229 221281188 /nfs/dbraw/zinc/28/11/88/221281188.db2.gz GDNGMJMDUUZDSS-MRXNPFEDSA-N 0 0 376.456 4.384 40 0 GIABRN CC[C@H](C(=O)Nc1cccc2ccccc21)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713095 221283027 /nfs/dbraw/zinc/28/30/27/221283027.db2.gz BMCBFUBKJUYFDA-OAQYLSRUSA-N 0 0 396.512 4.332 40 0 GIABRN CC[C@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713554 221283104 /nfs/dbraw/zinc/28/31/04/221283104.db2.gz OKFMQJSSXJJXSR-LJQANCHMSA-N 0 0 388.533 4.104 40 0 GIABRN CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711960 221283118 /nfs/dbraw/zinc/28/31/18/221283118.db2.gz IRRCVEVYNMDBEC-SFHVURJKSA-N 0 0 394.924 4.140 40 0 GIABRN COC(=O)c1c2c(sc1NC(=O)[C@H](C)Oc1cc(C)ccc1C)CCCC2 ZINC000013710644 221283347 /nfs/dbraw/zinc/28/33/47/221283347.db2.gz TVILXSDOWGRKEE-AWEZNQCLSA-N 0 0 387.501 4.436 40 0 GIABRN Cc1ccc(C)c(O[C@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 ZINC000013710616 221283504 /nfs/dbraw/zinc/28/35/04/221283504.db2.gz ZMJKWRGWPHECJG-GOSISDBHSA-N 0 0 386.923 4.381 40 0 GIABRN O=C(Nc1ccccc1C(=O)NC1CCCC1)c1ccccc1Br ZINC000014423990 221309904 /nfs/dbraw/zinc/30/99/04/221309904.db2.gz GLGHHTQWFUOEIM-UHFFFAOYSA-N 0 0 387.277 4.374 40 0 GIABRN CCc1c(C)nn(-c2nc(C)cc(C)n2)c1OC(=O)Nc1ccc(Cl)cc1 ZINC000014608437 221313309 /nfs/dbraw/zinc/31/33/09/221313309.db2.gz BNGUMRLRLBWJPI-UHFFFAOYSA-N 0 0 385.855 4.414 40 0 GIABRN CCc1nn2c(nnc(C(=O)N3CCCCC3)c2C)c1-c1cccc2ccccc21 ZINC000014607694 221313794 /nfs/dbraw/zinc/31/37/94/221313794.db2.gz IGHZGQSDLDSSQC-UHFFFAOYSA-N 0 0 399.498 4.441 40 0 GIABRN C[C@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000015197667 221334451 /nfs/dbraw/zinc/33/44/51/221334451.db2.gz MSEBOEAFMNSXNM-ZDUSSCGKSA-N 0 0 397.949 4.103 40 0 GIABRN COc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000015353215 221334910 /nfs/dbraw/zinc/33/49/10/221334910.db2.gz XARGEVDOPSRAEG-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN Cc1cc(C)cc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1 ZINC000015591609 221338069 /nfs/dbraw/zinc/33/80/69/221338069.db2.gz CFNAWOXLEAXOAX-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN COc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)c1 ZINC000016505616 221364882 /nfs/dbraw/zinc/36/48/82/221364882.db2.gz ZIOXGGXTWMGLMM-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1 ZINC000015949955 221353944 /nfs/dbraw/zinc/35/39/44/221353944.db2.gz UYBZMLCQMBZOPJ-OAHLLOKOSA-N 0 0 393.314 4.418 40 0 GIABRN Cc1ccc(/C=C\C(=O)NCCCCNC(=O)/C=C\c2ccc(C)cc2)cc1 ZINC000017421528 221384209 /nfs/dbraw/zinc/38/42/09/221384209.db2.gz IERBFMHXMZZBEY-VMNXYWKNSA-N 0 0 376.500 4.043 40 0 GIABRN CC(C)(C)C(=O)NCCCc1nc2ccccc2n1CC(=O)c1ccccc1 ZINC000016740596 221369975 /nfs/dbraw/zinc/36/99/75/221369975.db2.gz DHOFRGBLBAEZHV-UHFFFAOYSA-N 0 0 377.488 4.014 40 0 GIABRN CCC(=O)n1c(C)nc2c1SC(c1ccc(Cl)cc1)=NN2C(=O)CC ZINC000016777103 221371044 /nfs/dbraw/zinc/37/10/44/221371044.db2.gz MCXKABTZUNRVST-UHFFFAOYSA-N 0 0 376.869 4.106 40 0 GIABRN CCOC(=O)[C@H]1[C@H](c2ccccc2)N(C)O[C@@]1(c1ccccc1)C(F)(F)F ZINC000016958971 221374314 /nfs/dbraw/zinc/37/43/14/221374314.db2.gz GBGLXQDOGHCYJD-ZIFCJYIRSA-N 0 0 379.378 4.242 40 0 GIABRN CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)C1CCCCC1 ZINC000019017553 221393596 /nfs/dbraw/zinc/39/35/96/221393596.db2.gz VNJPANIVENITPS-DNVJHFABSA-N 0 0 382.548 4.352 40 0 GIABRN COc1ccccc1CN1CCC[C@@H]1c1cc2nc(C)cc(C(F)(F)F)n2n1 ZINC000019116926 221396172 /nfs/dbraw/zinc/39/61/72/221396172.db2.gz OTOGRQSVJVBLKE-MRXNPFEDSA-N 0 0 390.409 4.402 40 0 GIABRN COc1ccccc1C(=O)N1CCC[C@H]1c1ccnc2cc(C(C)(C)C)nn21 ZINC000019084336 221396379 /nfs/dbraw/zinc/39/63/79/221396379.db2.gz XKHVVXZINSGYSD-INIZCTEOSA-N 0 0 378.476 4.013 40 0 GIABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)CC3CCCC3)CC1)N2 ZINC000019128592 221397888 /nfs/dbraw/zinc/39/78/88/221397888.db2.gz PGOZVIWCHAHGFQ-DLBZAZTESA-N 0 0 380.483 4.001 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@H]2CCCCN2C(=O)c2ccccc2F)on1 ZINC000019121947 221398134 /nfs/dbraw/zinc/39/81/34/221398134.db2.gz GPLFZLWGFWXYGT-GOSISDBHSA-N 0 0 380.423 4.255 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@@H]2CCCCN2C(=O)c2cccc(F)c2)on1 ZINC000019121921 221398288 /nfs/dbraw/zinc/39/82/88/221398288.db2.gz WWMRCVAELCWKFE-SFHVURJKSA-N 0 0 380.423 4.255 40 0 GIABRN O=C(CCc1ccccc1)N1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000019370746 221411570 /nfs/dbraw/zinc/41/15/70/221411570.db2.gz XHCGLVPSUGXCLR-KRWDZBQOSA-N 0 0 384.863 4.044 40 0 GIABRN Cc1ccccc1-c1cccc(C[C@H]2CN(C(=O)c3ccccc3)CCNC2=O)c1 ZINC000019237473 221401798 /nfs/dbraw/zinc/40/17/98/221401798.db2.gz XZUBSYZLEZGDLF-QHCPKHFHSA-N 0 0 398.506 4.093 40 0 GIABRN Cn1cc(-c2cc(C(=O)Nc3ccccc3Oc3ccc(F)cc3)no2)cn1 ZINC000019290766 221405037 /nfs/dbraw/zinc/40/50/37/221405037.db2.gz JRKZCOIUPLBKSV-UHFFFAOYSA-N 0 0 378.363 4.259 40 0 GIABRN Cn1ccnc1-c1nc(NCC2CCOCC2)ncc1-c1cccc(Cl)c1 ZINC000019291632 221406206 /nfs/dbraw/zinc/40/62/06/221406206.db2.gz JKRZYSCMODWJNU-UHFFFAOYSA-N 0 0 383.883 4.036 40 0 GIABRN O=C(C1CC1)N1CCCc2cc(-c3csc(NC[C@@H]4CCCO4)n3)ccc21 ZINC000019346402 221408852 /nfs/dbraw/zinc/40/88/52/221408852.db2.gz NLQVDEBATLGGNV-KRWDZBQOSA-N 0 0 383.517 4.090 40 0 GIABRN Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)c1ccc2c(c1)CCCO2 ZINC000019561027 221426313 /nfs/dbraw/zinc/42/63/13/221426313.db2.gz IOVWSQHEVPBTHQ-CYBMUJFWSA-N 0 0 379.485 4.330 40 0 GIABRN CCC(CC)C(=O)N1CC[C@@](Cc2ccc(-c3ccsc3)cc2)(C(=O)NC)C1 ZINC000019500059 221417142 /nfs/dbraw/zinc/41/71/42/221417142.db2.gz ZQUMLALSZJFWQH-QHCPKHFHSA-N 0 0 398.572 4.359 40 0 GIABRN Cc1cc(C)n(-c2ccc(C(=O)NCCc3nc(C(C)(C)C)cs3)cc2)n1 ZINC000019659965 221439154 /nfs/dbraw/zinc/43/91/54/221439154.db2.gz KGAXVSGKZDEUMT-UHFFFAOYSA-N 0 0 382.533 4.216 40 0 GIABRN CCc1nnc2n1C[C@@H](c1ccc(NC(=O)c3cccc4ncccc43)cc1)CC2 ZINC000019699032 221442172 /nfs/dbraw/zinc/44/21/72/221442172.db2.gz WJHGALRLFDKHKA-KRWDZBQOSA-N 0 0 397.482 4.371 40 0 GIABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 ZINC000020111699 221472397 /nfs/dbraw/zinc/47/23/97/221472397.db2.gz OIBVXSMRTDOFLQ-GOSISDBHSA-N 0 0 375.440 4.095 40 0 GIABRN CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(OC)c1 ZINC000020485649 221492402 /nfs/dbraw/zinc/49/24/02/221492402.db2.gz NVXVLVNNZKZJKB-FQEVSTJZSA-N 0 0 384.476 4.021 40 0 GIABRN CC(C)(C)OC(=O)N1CCc2c(C(=O)NC3CCCCCC3)csc2C1 ZINC000020437025 221486737 /nfs/dbraw/zinc/48/67/37/221486737.db2.gz RNJBRVJAMUENHL-UHFFFAOYSA-N 0 0 378.538 4.494 40 0 GIABRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OC(C)=O ZINC000106701679 533474366 /nfs/dbraw/zinc/47/43/66/533474366.db2.gz UCGKKTZHNUXTJH-ODLFYWEKSA-N 0 0 397.452 4.165 40 0 GIABRN COc1ccc(CCCc2nnc(SCC(=O)Nc3ccccc3C)o2)cc1 ZINC000409016565 533476872 /nfs/dbraw/zinc/47/68/72/533476872.db2.gz QHZFHXFVODYXBL-UHFFFAOYSA-N 0 0 397.500 4.293 40 0 GIABRN Cc1ccc(C)c(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000022273950 533671159 /nfs/dbraw/zinc/67/11/59/533671159.db2.gz QWXHAFIWKUIVHC-UHFFFAOYSA-N 0 0 394.496 4.137 40 0 GIABRN c1ccc(CN2CCN(c3ncnc4c(-c5ccccc5)nsc43)CC2)cc1 ZINC000057681241 136153809 /nfs/dbraw/zinc/15/38/09/136153809.db2.gz KZQXLKASXWPFQP-UHFFFAOYSA-N 0 0 387.512 4.076 40 0 GIABRN CC[C@H]1Oc2ccc([C@@H](O)c3ccco3)cc2N(Cc2cccc(OC)c2)C1=O ZINC000072343093 136168776 /nfs/dbraw/zinc/16/87/76/136168776.db2.gz SXSFKXBRNPBPNR-DENIHFKCSA-N 0 0 393.439 4.074 40 0 GIABRN Cc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCC[C@H](O)C4)n3n2)c1 ZINC000001341342 136193156 /nfs/dbraw/zinc/19/31/56/136193156.db2.gz FVQMVVPGKBBYCM-FQEVSTJZSA-N 0 0 384.483 4.333 40 0 GIABRN OC1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(F)c4)nn32)CC1 ZINC000001341367 136193210 /nfs/dbraw/zinc/19/32/10/136193210.db2.gz QXLXQHCIBWSJOW-UHFFFAOYSA-N 0 0 388.446 4.164 40 0 GIABRN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cccc(Cl)c3Cl)ccc21 ZINC000153351448 136195420 /nfs/dbraw/zinc/19/54/20/136195420.db2.gz KTJDAOUULMWKTO-UHFFFAOYSA-N 0 0 399.299 4.093 40 0 GIABRN O=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1ccc(Br)cc1 ZINC000107549270 136197036 /nfs/dbraw/zinc/19/70/36/136197036.db2.gz YDOWYLUMLJMVKV-UHFFFAOYSA-N 0 0 395.322 4.240 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=O)C2CCN(c3ccc(C)cc3)CC2)c1 ZINC000219862087 136204430 /nfs/dbraw/zinc/20/44/30/136204430.db2.gz GNTIPFSRLULXGV-UHFFFAOYSA-N 0 0 380.488 4.335 40 0 GIABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000223467430 136205861 /nfs/dbraw/zinc/20/58/61/136205861.db2.gz YJVPHLBQLKGVQR-QGZVFWFLSA-N 0 0 398.934 4.335 40 0 GIABRN C[C@H]1C[C@H](C)CN(c2ccc(NC(=S)NCCCc3ccccc3)cn2)C1 ZINC000223963725 136206130 /nfs/dbraw/zinc/20/61/30/136206130.db2.gz FNQHMPUUVNSJGV-ROUUACIJSA-N 0 0 382.577 4.483 40 0 GIABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000224322535 136206865 /nfs/dbraw/zinc/20/68/65/136206865.db2.gz FLOQMEAORWCXSU-GOSISDBHSA-N 0 0 384.495 4.374 40 0 GIABRN C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000029136099 221690428 /nfs/dbraw/zinc/69/04/28/221690428.db2.gz NGALQDLKWWSXMK-CBHFXPLJSA-N 0 0 378.597 4.386 40 0 GIABRN Cc1nn2c(nnc3c2-c2ccccc2C3=O)c1-c1ccc(Br)cc1 ZINC000030874113 221706377 /nfs/dbraw/zinc/70/63/77/221706377.db2.gz VUZRVLPTMIKLMD-UHFFFAOYSA-N 0 0 391.228 4.074 40 0 GIABRN CCCCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccncc1 ZINC000035288829 221815191 /nfs/dbraw/zinc/81/51/91/221815191.db2.gz YNCKMGMBXZIDMW-UHFFFAOYSA-N 0 0 385.468 4.010 40 0 GIABRN O=C(CSc1nc(Cc2ccccc2)nc2ccccc21)N1CCCCC1 ZINC000035291555 221815239 /nfs/dbraw/zinc/81/52/39/221815239.db2.gz WFJYJGNIZNOJKC-UHFFFAOYSA-N 0 0 377.513 4.325 40 0 GIABRN Cc1nnc(NC(=O)CSc2nc3cc(C)ccc3c3c2CCCC3)s1 ZINC000035313057 221817324 /nfs/dbraw/zinc/81/73/24/221817324.db2.gz VFYIAWBOVZMXPX-UHFFFAOYSA-N 0 0 384.530 4.313 40 0 GIABRN CC(=O)c1cccc(NC(=O)Nc2nc(SCC(=O)C(C)(C)C)ns2)c1 ZINC000035313208 221817448 /nfs/dbraw/zinc/81/74/48/221817448.db2.gz BFNMUQBDRXZJJX-UHFFFAOYSA-N 0 0 392.506 4.092 40 0 GIABRN Cn1c(C(=O)O[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc2occc21 ZINC000035315784 221817663 /nfs/dbraw/zinc/81/76/63/221817663.db2.gz MHWAOJSUKVKXID-HXUWFJFHSA-N 0 0 380.444 4.118 40 0 GIABRN O=C(Cn1ccc(=O)c2cc(Cl)ccc21)Nc1ccc(Br)cc1 ZINC000039963240 221894335 /nfs/dbraw/zinc/89/43/35/221894335.db2.gz YYXQBUQOWRTYMZ-UHFFFAOYSA-N 0 0 391.652 4.056 40 0 GIABRN COc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)cc1 ZINC000040022009 221897276 /nfs/dbraw/zinc/89/72/76/221897276.db2.gz OQGKIEMOWIFMEK-ZHZULCJRSA-N 0 0 392.480 4.475 40 0 GIABRN O=C(Nc1ccccc1Cl)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000047156134 221975491 /nfs/dbraw/zinc/97/54/91/221975491.db2.gz VDZIPKYFHPDQCZ-UHFFFAOYSA-N 0 0 386.860 4.393 40 0 GIABRN CC(C)Sc1ccccc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000052754507 222005870 /nfs/dbraw/zinc/00/58/70/222005870.db2.gz KWIBYBWJDVEPEY-CQSZACIVSA-N 0 0 377.531 4.082 40 0 GIABRN COc1ccc(CCCNC(=O)CSCc2ccc(Cl)cc2)cc1OC ZINC000065087089 222099600 /nfs/dbraw/zinc/09/96/00/222099600.db2.gz VPQADFTYPKGROB-UHFFFAOYSA-N 0 0 393.936 4.339 40 0 GIABRN COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 ZINC000059351929 222055655 /nfs/dbraw/zinc/05/56/55/222055655.db2.gz OVDWQTLNIRPHOI-OLZOCXBDSA-N 0 0 378.266 4.102 40 0 GIABRN Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000059133030 222056372 /nfs/dbraw/zinc/05/63/72/222056372.db2.gz UBWDAFISXGACJK-UHFFFAOYSA-N 0 0 394.496 4.285 40 0 GIABRN O=C(N1CCC[C@@H](c2nccs2)C1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000067048418 222141419 /nfs/dbraw/zinc/14/14/19/222141419.db2.gz UKQLOUFJGWQQFB-OAHLLOKOSA-N 0 0 390.936 4.251 40 0 GIABRN COc1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1 ZINC000067898532 222167962 /nfs/dbraw/zinc/16/79/62/222167962.db2.gz DNQIWGHXQYIUDQ-FQEVSTJZSA-N 0 0 383.879 4.312 40 0 biogenic,in-vitro GIABRN COc1cc(OC)cc(C(=O)N[C@H](c2cccnc2)c2ccc(C)c(C)c2)c1 ZINC000072242829 222219059 /nfs/dbraw/zinc/21/90/59/222219059.db2.gz QYWQGGCQTBPYEA-QFIPXVFZSA-N 0 0 376.456 4.235 40 0 GIABRN COc1c(C)cccc1C(=O)NCc1cccc(-c2n[nH]cc2-c2ccncc2)c1 ZINC000072345003 222233163 /nfs/dbraw/zinc/23/31/63/222233163.db2.gz UXDFKKGWOTUGKA-UHFFFAOYSA-N 0 0 398.466 4.386 40 0 GIABRN O=C(NC1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)c1cccs1 ZINC000072346369 222233647 /nfs/dbraw/zinc/23/36/47/222233647.db2.gz KNRFSXUTEYGQHL-UHFFFAOYSA-N 0 0 387.505 4.410 40 0 GIABRN COc1ccccc1Cc1cccc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1 ZINC000072349123 222235113 /nfs/dbraw/zinc/23/51/13/222235113.db2.gz VSXLPNIMPLFGNR-HXUWFJFHSA-N 0 0 387.483 4.096 40 0 GIABRN O=C(c1cc[nH]n1)N1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000072349818 222236324 /nfs/dbraw/zinc/23/63/24/222236324.db2.gz OJCZYCAEHSHHJJ-UHFFFAOYSA-N 0 0 380.879 4.069 40 0 GIABRN O=C(Cc1ccncc1)N1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072349423 222236398 /nfs/dbraw/zinc/23/63/98/222236398.db2.gz ZHPNOCAKQOVYLK-SFHVURJKSA-N 0 0 375.447 4.231 40 0 GIABRN COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)Cc3cccnc3)C2)n1 ZINC000072349378 222236704 /nfs/dbraw/zinc/23/67/04/222236704.db2.gz LQAHXJHMNKNSQV-IBGZPJMESA-N 0 0 387.483 4.101 40 0 GIABRN COc1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4cccnc4)C3)n2)c1 ZINC000072349380 222236710 /nfs/dbraw/zinc/23/67/10/222236710.db2.gz QJWDUPPUXBXWDK-FQEVSTJZSA-N 0 0 387.483 4.101 40 0 GIABRN COc1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4ccccn4)C3)n2)c1 ZINC000072349469 222236883 /nfs/dbraw/zinc/23/68/83/222236883.db2.gz WCUUJIVXQNRXOI-IBGZPJMESA-N 0 0 387.483 4.101 40 0 GIABRN Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(C(=O)Cc3ccccn3)C2)n1 ZINC000072353906 222237345 /nfs/dbraw/zinc/23/73/45/222237345.db2.gz XXVIZNJAIWDEQP-JOCHJYFZSA-N 0 0 385.511 4.325 40 0 GIABRN COc1ccccc1-c1nccnc1[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000072358481 222239313 /nfs/dbraw/zinc/23/93/13/222239313.db2.gz CENZEOXVUVXORD-QGZVFWFLSA-N 0 0 391.446 4.311 40 0 GIABRN Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)COc3ccccc3)C2)c1 ZINC000072358663 222239682 /nfs/dbraw/zinc/23/96/82/222239682.db2.gz STDYWJCBZCDOKM-HXUWFJFHSA-N 0 0 387.483 4.237 40 0 GIABRN O=C(Cc1ccccn1)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072357935 222240013 /nfs/dbraw/zinc/24/00/13/222240013.db2.gz LSSATDCCBLXTCM-JOCHJYFZSA-N 0 0 375.447 4.113 40 0 GIABRN CCn1ccnc1CN1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359819 222240914 /nfs/dbraw/zinc/24/09/14/222240914.db2.gz WTMIPEVHFDCBNS-KRWDZBQOSA-N 0 0 381.911 4.393 40 0 GIABRN Cc1cc(C)nc(Nc2ccc(C3CCN(C(=O)[C@@H]4CC45CCC5)CC3)nc2)n1 ZINC000072374316 222242837 /nfs/dbraw/zinc/24/28/37/222242837.db2.gz DGXRACJCJIVGKN-IBGZPJMESA-N 0 0 391.519 4.128 40 0 GIABRN CCc1nc(C)c(C(=O)N2CCC[C@H]2c2cccc(Nc3cccc(C)n3)n2)o1 ZINC000072375880 222243435 /nfs/dbraw/zinc/24/34/35/222243435.db2.gz RMOVDWSYUQRAIK-KRWDZBQOSA-N 0 0 391.475 4.365 40 0 GIABRN Nc1ncc(-c2ccccc2)c([C@H]2CCCCN2C(=O)c2ccc(F)cc2)n1 ZINC000072376806 222244041 /nfs/dbraw/zinc/24/40/41/222244041.db2.gz WQXKMLWWRXBFQP-LJQANCHMSA-N 0 0 376.435 4.232 40 0 GIABRN Cc1ccc(Nc2nccc([C@H]3CCCN(C(=O)CC4CCCC4)C3)n2)nc1 ZINC000072377971 222244427 /nfs/dbraw/zinc/24/44/27/222244427.db2.gz WRHXMLNJADKICZ-SFHVURJKSA-N 0 0 379.508 4.210 40 0 GIABRN O=C(c1ccc(Cl)cc1)N1CCC[C@H]1c1ccnc(Nc2ccccn2)n1 ZINC000072377534 222245723 /nfs/dbraw/zinc/24/57/23/222245723.db2.gz OTQGRJINZTXSQC-KRWDZBQOSA-N 0 0 379.851 4.246 40 0 GIABRN O=C(c1cccnc1)N1CCC[C@@H]1c1cncc(Oc2ccc(Cl)cc2)n1 ZINC000072383765 222246739 /nfs/dbraw/zinc/24/67/39/222246739.db2.gz IBMGYMAPHWRGGX-GOSISDBHSA-N 0 0 380.835 4.295 40 0 GIABRN Cc1cnc(C(=O)N2CCC(c3cccc(Oc4cccc(F)c4)n3)CC2)cn1 ZINC000072383979 222247365 /nfs/dbraw/zinc/24/73/65/222247365.db2.gz GZBFSQBUIHLYGU-UHFFFAOYSA-N 0 0 392.434 4.131 40 0 GIABRN Cc1ccc2c(CC(=O)N(C)Cc3nc(-c4ccccc4)no3)coc2c1C ZINC000072390482 222247423 /nfs/dbraw/zinc/24/74/23/222247423.db2.gz ILVZQRLPJCRSDL-UHFFFAOYSA-N 0 0 375.428 4.301 40 0 GIABRN CCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)CC)C1 ZINC000072391290 222249902 /nfs/dbraw/zinc/24/99/02/222249902.db2.gz TYJZFJNVDSZMQE-XMMPIXPASA-N 0 0 378.516 4.051 40 0 GIABRN Cc1cc(S(=O)(=O)N2CCN=C2Cc2cccc3ccccc32)ccc1Cl ZINC000072414340 222256719 /nfs/dbraw/zinc/25/67/19/222256719.db2.gz OXWXYRJBPOTQCD-UHFFFAOYSA-N 0 0 398.915 4.447 40 0 GIABRN CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccccc1 ZINC000085409658 222323603 /nfs/dbraw/zinc/32/36/03/222323603.db2.gz QHKRUOCVCOAMOW-QFIPXVFZSA-N 0 0 375.472 4.437 40 0 GIABRN CCN(CC)[C@@H]1Oc2cc3c(cc2[C@@H](c2cccc(OC)c2OC)[C@H]1C)OCO3 ZINC000073296402 222270021 /nfs/dbraw/zinc/27/00/21/222270021.db2.gz XFZQJONSCZRGGL-LMIFWLCCSA-N 0 0 399.487 4.261 40 0 GIABRN C[C@H]1[C@H](c2ccc(N(C)C)cc2)c2cc3c(cc2O[C@@H]1N1CCCC1)OCO3 ZINC000073369903 222271236 /nfs/dbraw/zinc/27/12/36/222271236.db2.gz VEINRYGCKDRNLM-BJQRDSPESA-N 0 0 380.488 4.064 40 0 GIABRN COc1ccccc1OCCCn1c2ccccc2nc1[C@@H]1CCCN1C(C)=O ZINC000082086729 222308154 /nfs/dbraw/zinc/30/81/54/222308154.db2.gz ZSRSVTHHCSMGKW-FQEVSTJZSA-N 0 0 393.487 4.197 40 0 GIABRN CC(C)n1cnc2c1[C@H](C(=O)Nc1cccc(F)c1)N(Cc1ccccc1)CC2 ZINC000096037486 222373175 /nfs/dbraw/zinc/37/31/75/222373175.db2.gz JCNCCLPTPMYINE-JOCHJYFZSA-N 0 0 392.478 4.341 40 0 GIABRN CCc1ccccc1NC(=O)N1CCc2c(CN3CCCC3)nn(C(C)C)c2C1 ZINC000096084239 222378555 /nfs/dbraw/zinc/37/85/55/222378555.db2.gz YBVMCEHPHKPUCK-UHFFFAOYSA-N 0 0 395.551 4.212 40 0 GIABRN Cc1ccc2[nH]c(CO[C@H]3CN(Cc4cnc5ccccc5c4)C[C@H]3F)nc2c1 ZINC000096112323 222381220 /nfs/dbraw/zinc/38/12/20/222381220.db2.gz FHIQSCTZIXOCMZ-GCJKJVERSA-N 0 0 390.462 4.159 40 0 biogenic,in-vitro GIABRN O=C1[C@@H]2C[C@@H](CN2Cc2cccc(Cl)c2)Oc2ccccc2N1CC1CC1 ZINC000096111803 222381884 /nfs/dbraw/zinc/38/18/84/222381884.db2.gz IWKLKZZDQVWDFS-ICSRJNTNSA-N 0 0 382.891 4.119 40 0 biogenic,in-vitro GIABRN O=C(NCc1ccccn1)c1ccn(-c2ccc3ccc(-c4ccccc4)cn32)n1 ZINC000096155320 222393907 /nfs/dbraw/zinc/39/39/07/222393907.db2.gz AFBVZFXZBCQEBE-UHFFFAOYSA-N 0 0 393.450 4.117 40 0 GIABRN Cn1c2ccccc2s/c1=N/C(=O)c1cc(Br)ccc1Cl ZINC000103040127 222490305 /nfs/dbraw/zinc/49/03/05/222490305.db2.gz VJHDFAQJDDXPNY-OBGWFSINSA-N 0 0 381.682 4.397 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 ZINC000109489582 222514772 /nfs/dbraw/zinc/51/47/72/222514772.db2.gz ZREVOPDYMYSINY-UHFFFAOYSA-N 0 0 397.862 4.241 40 0 GIABRN Cc1nn(C)cc1/C=C1/C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O ZINC000118916083 222522882 /nfs/dbraw/zinc/52/28/82/222522882.db2.gz AWVQXSVXAYIKEY-OICSPEQSSA-N 0 0 398.591 4.486 40 0 GIABRN COc1ccccc1C(=O)N1[C@@H](C(=O)N[C@H]2CCCC[C@@H]2C)C[C@@H]2CCCC[C@@H]21 ZINC000195528857 222567331 /nfs/dbraw/zinc/56/73/31/222567331.db2.gz PFEAOGPSDOLYCY-JZTRKIHISA-N 0 0 398.547 4.163 40 0 GIABRN Cc1ccc(C)c(NC(=O)c2cccc(N3C(=O)[C@@H]4CC(C)=CC[C@@H]4C3=O)c2)c1 ZINC000408684324 533686106 /nfs/dbraw/zinc/68/61/06/533686106.db2.gz OVLSFNLUPFXUTB-VQTJNVASSA-N 0 0 388.467 4.401 40 0 GIABRN COc1cc(CNC(=O)c2ccccc2SC(C)C)cc(OC)c1OC ZINC000057837120 533865410 /nfs/dbraw/zinc/86/54/10/533865410.db2.gz PLYZYRIYALVDED-UHFFFAOYSA-N 0 0 375.490 4.143 40 0 GIABRN Cc1cc(O[C@H](C)C(=O)N(C)Cc2nnc(-c3ccccc3)o2)ccc1Cl ZINC000408714087 534030086 /nfs/dbraw/zinc/03/00/86/534030086.db2.gz IEENRSGZAYINHM-CQSZACIVSA-N 0 0 385.851 4.124 40 0 GIABRN Cc1cc(C)cc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)c2)c1 ZINC000408672206 534082933 /nfs/dbraw/zinc/08/29/33/534082933.db2.gz MIWRZCLKZYEYBD-XMDBHEJHSA-N 0 0 390.483 4.481 40 0 GIABRN COc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)Oc2ccccc2)cc1 ZINC000408737770 534160392 /nfs/dbraw/zinc/16/03/92/534160392.db2.gz OTGCCKYGXKEMAH-NRFANRHFSA-N 0 0 390.439 4.034 40 0 GIABRN COC(=O)c1cccc2c1N[C@@H](c1cccc(OC)c1OC)[C@H]1CCCO[C@@H]21 ZINC000409189381 534286099 /nfs/dbraw/zinc/28/60/99/534286099.db2.gz KJXBXHYDCMUESF-DJKXOVBDSA-N 0 0 383.444 4.125 40 0 GIABRN CCOC(OCC)[P@](=O)([O-])CCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000031424814 517695975 /nfs/dbraw/zinc/69/59/75/517695975.db2.gz GJZVQXWEIYRHBE-UHFFFAOYSA-N 0 0 384.240 4.100 40 0 in-vitro GIABRN Cc1ccsc1/C=C1/SC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O ZINC000409155804 534455837 /nfs/dbraw/zinc/45/58/37/534455837.db2.gz CVMXOFWHKJVIGH-OQLLNIDSSA-N 0 0 386.498 4.348 40 0 GIABRN O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccccc1Br ZINC000015576939 534488467 /nfs/dbraw/zinc/48/84/67/534488467.db2.gz AQPBYQFMNOHKTL-UHFFFAOYSA-N 0 0 390.212 4.210 40 0 GIABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccccc2Cl)c1 ZINC000225871862 534585846 /nfs/dbraw/zinc/58/58/46/534585846.db2.gz JIEWCZYDMZEDHF-MOSHPQCFSA-N 0 0 394.858 4.329 40 0 GIABRN COc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)cc1Cl ZINC000020142272 523743793 /nfs/dbraw/zinc/74/37/93/523743793.db2.gz TZVVEPMPBWZYHQ-UHFFFAOYSA-N 0 0 387.819 4.362 40 0 GIABRN O=C1Nc2ccccc2/C1=C1/SC(=O)N(Cc2ccc(F)cc2Cl)C1=O ZINC000409157982 534802618 /nfs/dbraw/zinc/80/26/18/534802618.db2.gz QUUVRRRRPJCBBU-PFONDFGASA-N 0 0 388.807 4.038 40 0 GIABRN O=C1S/C(=C\c2cc(Br)c(O)cc2O)C(=O)N1c1ccccc1 ZINC000408816740 534823261 /nfs/dbraw/zinc/82/32/61/534823261.db2.gz MDEICTIMYGNOAO-AUWJEWJLSA-N 0 0 392.230 4.101 40 0 GIABRN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)C1c3ccccc3C2(Cl)c2ccccc21 ZINC000059418677 534848278 /nfs/dbraw/zinc/84/82/78/534848278.db2.gz CDUFUDYNTJFZSK-CAZKKTPXSA-N 0 0 385.850 4.434 40 0 GIABRN CC(=O)Nc1cccc(OCC(=O)Nc2ccc(Br)cc2Cl)c1 ZINC000103712180 527072522 /nfs/dbraw/zinc/07/25/22/527072522.db2.gz QBYYXFALGHESMV-UHFFFAOYSA-N 0 0 397.656 4.078 40 0 GIABRN CC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000408706622 527632700 /nfs/dbraw/zinc/63/27/00/527632700.db2.gz AYFGDYPJGYRKRX-UHFFFAOYSA-N 0 0 399.304 4.248 40 0 GIABRN CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)NC2CCCCC2)cc1 ZINC000408768522 527933315 /nfs/dbraw/zinc/93/33/15/527933315.db2.gz GRMLTPOUKZHSIO-UHFFFAOYSA-N 0 0 394.581 4.052 40 0 GIABRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)c(C)cc1OC ZINC000409032471 528195310 /nfs/dbraw/zinc/19/53/10/528195310.db2.gz CEGZVOGSJSLHLC-ATVHPVEESA-N 0 0 382.485 4.007 40 0 GIABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC2CCCC2)cc1 ZINC000408680021 528351347 /nfs/dbraw/zinc/35/13/47/528351347.db2.gz XVFFAXRFWHYHJD-UHFFFAOYSA-N 0 0 376.456 4.247 40 0 GIABRN CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(CC)cc2)cc1 ZINC000409100611 528358473 /nfs/dbraw/zinc/35/84/73/528358473.db2.gz QRUNJQGWEHHZNE-UHFFFAOYSA-N 0 0 396.516 4.268 40 0 GIABRN CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)c(OCC)c1 ZINC000409033690 528367754 /nfs/dbraw/zinc/36/77/54/528367754.db2.gz OTZWQXIMPOVSQS-AQTBWJFISA-N 0 0 382.485 4.088 40 0 GIABRN CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1Br ZINC000408558367 528473932 /nfs/dbraw/zinc/47/39/32/528473932.db2.gz QXYRXVKETULIRP-UHFFFAOYSA-N 0 0 390.686 4.302 40 0 GIABRN CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 ZINC000113935880 528555431 /nfs/dbraw/zinc/55/54/31/528555431.db2.gz BEBPFXAVWCHGRQ-UHFFFAOYSA-N 0 0 376.261 4.202 40 0 GIABRN CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000408587312 528565758 /nfs/dbraw/zinc/56/57/58/528565758.db2.gz TWHIBIPOMNOZDD-UHFFFAOYSA-N 0 0 397.880 4.106 40 0 GIABRN CCOc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1NC(=O)CC ZINC000408698675 528587800 /nfs/dbraw/zinc/58/78/00/528587800.db2.gz REGZYXQSSZCOOS-UHFFFAOYSA-N 0 0 396.896 4.196 40 0 GIABRN CCCCSC1=N[C@@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N1 ZINC000408988400 528730006 /nfs/dbraw/zinc/73/00/06/528730006.db2.gz HVNJQULMDYMDPN-SFHVURJKSA-N 0 0 392.521 4.075 40 0 GIABRN CCOC(=O)COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1 ZINC000408988325 528841468 /nfs/dbraw/zinc/84/14/68/528841468.db2.gz HPVJRHJYNXZLFS-UHFFFAOYSA-N 0 0 398.484 4.275 40 0 GIABRN CCOC(=O)COc1ccc(/C=C2\Sc3ccccc3NC2=O)cc1OCC ZINC000409108226 528841798 /nfs/dbraw/zinc/84/17/98/528841798.db2.gz SMZUWLXBVMOLEL-UNOMPAQXSA-N 0 0 399.468 4.113 40 0 GIABRN CCC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000408603343 528899649 /nfs/dbraw/zinc/89/96/49/528899649.db2.gz GLQVENYAJURFNN-CQSZACIVSA-N 0 0 394.924 4.368 40 0 GIABRN CCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2Br)c2ccccc21 ZINC000409117604 528944890 /nfs/dbraw/zinc/94/48/90/528944890.db2.gz OEGDSYIKTPAJLW-ZROIWOOFSA-N 0 0 388.261 4.373 40 0 GIABRN CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C)c1Cl ZINC000408985324 529102902 /nfs/dbraw/zinc/10/29/02/529102902.db2.gz AOMXSNARDOUYGJ-GOSISDBHSA-N 0 0 399.878 4.426 40 0 GIABRN CC[C@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000223071956 535876317 /nfs/dbraw/zinc/87/63/17/535876317.db2.gz VWAYMSOCKAVTSX-QHCPKHFHSA-N 0 0 378.516 4.283 40 0 GIABRN CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)c2ccc(F)cc2)C=C1C ZINC000030882399 560089839 /nfs/dbraw/zinc/08/98/39/560089839.db2.gz MUBGTXXKFWIAQS-BJLQDIEVSA-N 0 0 375.484 4.363 40 0 biogenic,in-vitro GIABRN Cc1ccc2nc(-c3ccccn3)cc(C(=O)Nc3[nH]nc4nc(C)ccc43)c2c1 ZINC000019719048 570210152 /nfs/dbraw/zinc/21/01/52/570210152.db2.gz HRVNEVCJSWBJEE-UHFFFAOYSA-N 0 0 394.438 4.437 40 0 GIABRN CCCN1CCc2cc(-c3cncn3[C@H](C)Cc3c(C)nn(C)c3C)ccc21 ZINC000019719556 570210570 /nfs/dbraw/zinc/21/05/70/570210570.db2.gz QQZSJEGQRFUIEG-MRXNPFEDSA-N 0 0 377.536 4.477 40 0 GIABRN Cc1c(Nc2cc(-c3cccnc3)nc(NC(C)C)n2)cccc1C(F)(F)F ZINC000329009026 570211711 /nfs/dbraw/zinc/21/17/11/570211711.db2.gz LUSZNHQBNHWVNV-UHFFFAOYSA-N 0 0 387.409 4.274 40 0 GIABRN CC(C)C(=O)N1CCC([C@@]2(C)CCCCN(CCc3ccccc3)C2=O)CC1 ZINC000019745026 570213291 /nfs/dbraw/zinc/21/32/91/570213291.db2.gz WXQDNOZVXUIQOF-XMMPIXPASA-N 0 0 384.564 4.143 40 0 GIABRN CSc1cccc(Nc2cc(-c3ccccc3)nc(N[C@H](CO)C(C)C)n2)c1 ZINC000329021737 570213322 /nfs/dbraw/zinc/21/33/22/570213322.db2.gz OIGPOWAVSACZKY-HXUWFJFHSA-N 0 0 394.544 4.460 40 0 GIABRN Cc1c(Br)cccc1Nc1cc(-c2ccccc2)nc(NC2CC2)n1 ZINC000329068615 570216410 /nfs/dbraw/zinc/21/64/10/570216410.db2.gz YRHJOIODUBYFIG-UHFFFAOYSA-N 0 0 395.304 4.376 40 0 GIABRN Cc1nc([C@@H]2CCCCN2C(=O)C2CCCC2)ncc1C(=O)Nc1ccccc1 ZINC000019755809 570216394 /nfs/dbraw/zinc/21/63/94/570216394.db2.gz XHJSZWNZXTWAKB-FQEVSTJZSA-N 0 0 392.503 4.281 40 0 GIABRN c1cc(N2CCOCC2)ccc1Nc1cc(C2CC2)nc(NC2CCCCC2)n1 ZINC000329067739 570216486 /nfs/dbraw/zinc/21/64/86/570216486.db2.gz YKOHJMSGUSNLLQ-UHFFFAOYSA-N 0 0 393.535 4.101 40 0 GIABRN CC(C)c1cc(N2Cc3ccccc3CC2(C)C)nc(N[C@@H](CO)C(C)C)n1 ZINC000329069710 570216668 /nfs/dbraw/zinc/21/66/68/570216668.db2.gz YZZIQSABDYKTQN-FQEVSTJZSA-N 0 0 382.552 4.370 40 0 GIABRN Cc1ccc(NC(=O)c2nnc3c(-c4ccc(F)cc4)cnn3c2C)cc1Cl ZINC000019817147 570221546 /nfs/dbraw/zinc/22/15/46/570221546.db2.gz VQSZGVODBLRYNP-UHFFFAOYSA-N 0 0 395.825 4.453 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)SCc1ccccc1 ZINC000096234439 570221822 /nfs/dbraw/zinc/22/18/22/570221822.db2.gz RKPALRSWSQAWQH-AWEZNQCLSA-N 0 0 387.530 4.469 40 0 GIABRN Oc1cccc(C(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019842694 570225187 /nfs/dbraw/zinc/22/51/87/570225187.db2.gz JLDSSGKXBBDQNG-UHFFFAOYSA-N 0 0 388.536 4.475 40 0 GIABRN Oc1ccc(C(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019841974 570225198 /nfs/dbraw/zinc/22/51/98/570225198.db2.gz SAQVRKZGWOHXKY-UHFFFAOYSA-N 0 0 388.536 4.475 40 0 GIABRN COc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1 ZINC000205622176 570226587 /nfs/dbraw/zinc/22/65/87/570226587.db2.gz ISLOBICNEQMQJL-RGEXLXHISA-N 0 0 376.412 4.006 40 0 GIABRN CCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1cc(OC)cc(OC)c1 ZINC000019928630 570230489 /nfs/dbraw/zinc/23/04/89/570230489.db2.gz UPXVTIQNPBPIAD-UHFFFAOYSA-N 0 0 397.500 4.266 40 0 GIABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000019934397 570231452 /nfs/dbraw/zinc/23/14/52/570231452.db2.gz OIOUIQHJYAJSCV-JOCHJYFZSA-N 0 0 394.515 4.335 40 0 GIABRN Cc1c(Cl)cccc1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000019937616 570231917 /nfs/dbraw/zinc/23/19/17/570231917.db2.gz KTWLLNGUEAFHPD-UHFFFAOYSA-N 0 0 388.254 4.233 40 0 GIABRN Cc1cc(Cl)ccc1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000019937617 570232100 /nfs/dbraw/zinc/23/21/00/570232100.db2.gz OZBVQSDFOOFNLU-UHFFFAOYSA-N 0 0 388.254 4.233 40 0 GIABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnc(-c2ccccc2)[nH]c1=O ZINC000019937245 570232103 /nfs/dbraw/zinc/23/21/03/570232103.db2.gz AIQQFPWUTPZNDY-UHFFFAOYSA-N 0 0 393.752 4.361 40 0 GIABRN COc1ccc(S[C@@H](C)C(=O)NCCSc2ccc(C)cc2)cc1OC ZINC000020045676 570237347 /nfs/dbraw/zinc/23/73/47/570237347.db2.gz YBWBWFHSZCPGDI-HNNXBMFYSA-N 0 0 391.558 4.401 40 0 GIABRN CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccc(F)cc2)cc1OCC ZINC000020048862 570237826 /nfs/dbraw/zinc/23/78/26/570237826.db2.gz UCRQYBDNQQYDHD-GOSISDBHSA-N 0 0 375.440 4.097 40 0 GIABRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000020140779 570242654 /nfs/dbraw/zinc/24/26/54/570242654.db2.gz HDINJNBHRXFFEF-UHFFFAOYSA-N 0 0 385.803 4.116 40 0 GIABRN CCOc1cc(OCC)cc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)c1 ZINC000020143384 570243288 /nfs/dbraw/zinc/24/32/88/570243288.db2.gz ZATBPDVVDDBMKL-UHFFFAOYSA-N 0 0 381.428 4.489 40 0 GIABRN COc1cc(NC(=O)COc2cc(C)cc(C)c2)ccc1-c1ccc(CO)o1 ZINC000020144099 570243342 /nfs/dbraw/zinc/24/33/42/570243342.db2.gz ZETHATRCDDEBDY-UHFFFAOYSA-N 0 0 381.428 4.082 40 0 GIABRN COc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1-c1ccc(CO)o1 ZINC000020143833 570243353 /nfs/dbraw/zinc/24/33/53/570243353.db2.gz DQHFUCNQOJUENS-UHFFFAOYSA-N 0 0 381.428 4.082 40 0 GIABRN COc1ccc(NC(=O)COc2ccccc2Cl)cc1-c1ccc(CO)o1 ZINC000020144581 570243612 /nfs/dbraw/zinc/24/36/12/570243612.db2.gz FESCRKWPYAOIPM-UHFFFAOYSA-N 0 0 387.819 4.118 40 0 GIABRN CCS(=O)(=O)N1c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2C[C@H]1C ZINC000020449066 570256507 /nfs/dbraw/zinc/25/65/07/570256507.db2.gz UPRUKSJRCMTTTB-CYBMUJFWSA-N 0 0 392.908 4.001 40 0 GIABRN Cc1ccc(C(=O)N(C)C2CCCCC2)cc1S(=O)(=O)Nc1ccccc1 ZINC000020460123 570260363 /nfs/dbraw/zinc/26/03/63/570260363.db2.gz KUENYWSFAUBCSV-UHFFFAOYSA-N 0 0 386.517 4.201 40 0 GIABRN O=C(/C=C/c1cccnc1)N1CCC[C@@H]1c1csc(Nc2ccccn2)n1 ZINC000585292269 570261610 /nfs/dbraw/zinc/26/16/10/570261610.db2.gz GLNDDZIOBJTROY-KBOKABMXSA-N 0 0 377.473 4.054 40 0 GIABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000020486102 570262469 /nfs/dbraw/zinc/26/24/69/570262469.db2.gz BFLIBIBCGFHCGA-HSZRJFAPSA-N 0 0 392.474 4.485 40 0 GIABRN O=C(/C=C/c1cccnc1)N1CCC[C@H](Cc2cccc(Nc3ccccn3)n2)C1 ZINC000585293448 570262529 /nfs/dbraw/zinc/26/25/29/570262529.db2.gz XDAYZGFZBOXMEM-YVNCXZRQSA-N 0 0 399.498 4.110 40 0 GIABRN O=C(/C=C/c1cccnc1)N1CCC[C@@H](Cc2cccc(Nc3ccccn3)n2)C1 ZINC000585293447 570262620 /nfs/dbraw/zinc/26/26/20/570262620.db2.gz XDAYZGFZBOXMEM-SGWGQVFISA-N 0 0 399.498 4.110 40 0 GIABRN O=C(/C=C/c1ccco1)N1CCC[C@H](c2csc(Nc3ccccn3)n2)C1 ZINC000585293252 570262645 /nfs/dbraw/zinc/26/26/45/570262645.db2.gz YUJUOSYRZYZLOJ-HVHJFMEUSA-N 0 0 380.473 4.294 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2ccc(OC)cc2)ccc1Cl ZINC000020495723 570264066 /nfs/dbraw/zinc/26/40/66/570264066.db2.gz SVNGGORYSQBHHF-SFHVURJKSA-N 0 0 391.851 4.321 40 0 GIABRN CCc1nn2c(nnc(C(=O)Nc3ccc(F)cc3)c2C)c1-c1ccccc1 ZINC000020633686 570273164 /nfs/dbraw/zinc/27/31/64/570273164.db2.gz MNQCCVQMPALAMV-UHFFFAOYSA-N 0 0 375.407 4.054 40 0 GIABRN CCc1ccccc1Nc1noc2c1CN(C(=O)[C@H]1CC[C@H](OC)CC1)CC2 ZINC000100744972 570276299 /nfs/dbraw/zinc/27/62/99/570276299.db2.gz XTITWWFCFCKTSN-CALCHBBNSA-N 0 0 383.492 4.071 40 0 GIABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)C(C)C)cc3n2)c(C)c1 ZINC000020611071 570280597 /nfs/dbraw/zinc/28/05/97/570280597.db2.gz QWVOGIUNHUPFOH-UHFFFAOYSA-N 0 0 379.508 4.478 40 0 GIABRN Cc1cccc(OCC(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1C ZINC000020610428 570280638 /nfs/dbraw/zinc/28/06/38/570280638.db2.gz VKJTUSKNPPTQGW-UHFFFAOYSA-N 0 0 390.418 4.194 40 0 GIABRN Cc1cccc(OCC(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c1 ZINC000020611156 570280655 /nfs/dbraw/zinc/28/06/55/570280655.db2.gz LGLXKIPFBUXNGK-UHFFFAOYSA-N 0 0 390.418 4.194 40 0 GIABRN Cc1ccc(Cn2c3nnc(-c4ccc(F)cc4)n3c3ccccc3c2=O)cc1 ZINC000006781159 570283676 /nfs/dbraw/zinc/28/36/76/570283676.db2.gz GALCIXXKLCDONM-UHFFFAOYSA-N 0 0 384.414 4.207 40 0 GIABRN COc1ccc2cc3c(N)c(C(=O)Nc4ccc(C(C)=O)cc4)sc3nc2c1 ZINC000000676486 570290140 /nfs/dbraw/zinc/29/01/40/570290140.db2.gz MHTVHIAIKHCXBL-UHFFFAOYSA-N 0 0 391.452 4.495 40 0 GIABRN Cc1c(CNC(=O)/C=C/c2ccco2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000090593762 570291028 /nfs/dbraw/zinc/29/10/28/570291028.db2.gz MXYKRWTZBVYMGX-CMDGGOBGSA-N 0 0 381.432 4.433 40 0 GIABRN Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(F)cc1 ZINC000006914174 570297909 /nfs/dbraw/zinc/29/79/09/570297909.db2.gz PAZWSSFNQBCEOE-UHFFFAOYSA-N 0 0 376.844 4.005 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c(Cl)c1 ZINC000216275995 570298246 /nfs/dbraw/zinc/29/82/46/570298246.db2.gz BOYJFWDUNGBCAO-UXBLZVDNSA-N 0 0 389.835 4.186 40 0 GIABRN CCCOc1ccc(-n2nc3cc(Cl)c(N)c(Br)c3n2)cc1 ZINC000216870178 570308704 /nfs/dbraw/zinc/30/87/04/570308704.db2.gz LBOIJJPPEJUZGD-UHFFFAOYSA-N 0 0 381.661 4.207 40 0 GIABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000022245339 570310168 /nfs/dbraw/zinc/31/01/68/570310168.db2.gz PWQJBDNHNGLXQM-UHFFFAOYSA-N 0 0 381.457 4.243 40 0 GIABRN COc1ccc(CNC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1OC ZINC000022245615 570310225 /nfs/dbraw/zinc/31/02/25/570310225.db2.gz OXMMPTQMWIQONC-UHFFFAOYSA-N 0 0 397.500 4.167 40 0 GIABRN CCOc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C ZINC000022250815 570310505 /nfs/dbraw/zinc/31/05/05/570310505.db2.gz QMSCEHGPHVNDGF-UHFFFAOYSA-N 0 0 392.421 4.375 40 0 GIABRN Cc1cc(C)c(N(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c(C)c1 ZINC000022379934 570314830 /nfs/dbraw/zinc/31/48/30/570314830.db2.gz PKORVOVQGAKSRD-UHFFFAOYSA-N 0 0 388.533 4.140 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N3CCCCCC3)nc2)cc1 ZINC000072216651 570317371 /nfs/dbraw/zinc/31/73/71/570317371.db2.gz RWGIUUWKZFWEQC-OAQYLSRUSA-N 0 0 399.560 4.296 40 0 GIABRN CCOc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1 ZINC000022534240 570321323 /nfs/dbraw/zinc/32/13/23/570321323.db2.gz SBVWWOQTARNOSQ-FQEVSTJZSA-N 0 0 377.506 4.160 40 0 GIABRN COc1ccc(S(=O)(=O)NCc2cccc(OC(C)C)c2)cc1C(C)C ZINC000113956230 570335676 /nfs/dbraw/zinc/33/56/76/570335676.db2.gz PNBFELLHSUSUCS-UHFFFAOYSA-N 0 0 377.506 4.084 40 0 GIABRN COc1ccc(CSCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 ZINC000408576394 570342626 /nfs/dbraw/zinc/34/26/26/570342626.db2.gz UHBPURRYQKGAJS-UHFFFAOYSA-N 0 0 398.528 4.193 40 0 GIABRN CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccc(OC)c(OC)c1 ZINC000219061270 570347200 /nfs/dbraw/zinc/34/72/00/570347200.db2.gz USXCLVQBVIMFEJ-XJKSGUPXSA-N 0 0 377.868 4.392 40 0 GIABRN CC[C@@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(OC)c(OC)c1 ZINC000219263094 570350826 /nfs/dbraw/zinc/35/08/26/570350826.db2.gz REOMUPFUFLDIFI-QGZVFWFLSA-N 0 0 377.481 4.344 40 0 GIABRN COc1cccc(OC2=C(Cl)C(=O)N(c3cccc(Cl)c3Cl)C2=O)c1 ZINC000004043320 570355630 /nfs/dbraw/zinc/35/56/30/570355630.db2.gz HIHVSTCEGDMHEV-UHFFFAOYSA-N 0 0 398.629 4.405 40 0 GIABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1nc(-c2cccs2)no1 ZINC000219342965 570355800 /nfs/dbraw/zinc/35/58/00/570355800.db2.gz TWGLHUQYYWPKRL-INIZCTEOSA-N 0 0 393.468 4.425 40 0 GIABRN CC[C@H](NC(=O)c1cc2ccccc2cc1OC)c1ccc(S(C)(=O)=O)cc1 ZINC000219395013 570358847 /nfs/dbraw/zinc/35/88/47/570358847.db2.gz MITUVKFWTCTLHI-FQEVSTJZSA-N 0 0 397.496 4.133 40 0 GIABRN O=C(c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1)N2)N1CCOCC1 ZINC000004150579 570360195 /nfs/dbraw/zinc/36/01/95/570360195.db2.gz QHAQFOIXFHDOMH-ASSVPYPDSA-N 0 0 388.511 4.456 40 0 GIABRN COc1ccc(C(=O)Nc2cc(C)c(I)c(C)c2)cc1 ZINC000057315801 570360702 /nfs/dbraw/zinc/36/07/02/570360702.db2.gz KQXHOIOPOXZQRZ-UHFFFAOYSA-N 0 0 381.213 4.169 40 0 GIABRN COc1ccc(C(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1Cl ZINC000057315973 570360734 /nfs/dbraw/zinc/36/07/34/570360734.db2.gz KBZBFOWOXNFHEP-UHFFFAOYSA-N 0 0 399.863 4.076 40 0 GIABRN COC(=O)c1cccc(NC(=O)CCCN2c3cccc4cccc(c34)C2=O)c1 ZINC000219465264 570363860 /nfs/dbraw/zinc/36/38/60/570363860.db2.gz YVGJQHKKIYLZDI-UHFFFAOYSA-N 0 0 388.423 4.006 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccc(C)c(C)c1 ZINC000219519375 570365114 /nfs/dbraw/zinc/36/51/14/570365114.db2.gz HILBJFXSBSRRMI-OXJNMPFZSA-N 0 0 383.488 4.498 40 0 GIABRN CC[C@@H](Oc1ccccc1F)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219581796 570369550 /nfs/dbraw/zinc/36/95/50/570369550.db2.gz ZBHWURFJKNDOBT-ZWKOTPCHSA-N 0 0 387.451 4.410 40 0 GIABRN CCCC[C@@H](CC)C(=O)O[C@@H](C)CNC(=O)[C@@H](C)OC(=O)[C@@H](CC)CCCC ZINC000004428348 570374975 /nfs/dbraw/zinc/37/49/75/570374975.db2.gz BUFBUWAALXANIF-MANSERQUSA-N 0 0 399.572 4.399 40 0 GIABRN COc1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000408625594 570377112 /nfs/dbraw/zinc/37/71/12/570377112.db2.gz YSRCHEAHCFQDJG-UHFFFAOYSA-N 0 0 392.480 4.401 40 0 GIABRN CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccc(SC)cc2)C1=O ZINC000006654549 570379689 /nfs/dbraw/zinc/37/96/89/570379689.db2.gz QUHPKANMXQLODT-VBKFSLOCSA-N 0 0 392.546 4.093 40 0 GIABRN CC(C)(C)C(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 ZINC000408627591 570380001 /nfs/dbraw/zinc/38/00/01/570380001.db2.gz MBSAAHHDTZYCJY-UHFFFAOYSA-N 0 0 388.880 4.402 40 0 GIABRN COc1ccc(/C=C2\c3ccccc3Cn3c4ccccc4c(=O)nc32)cc1OC ZINC000031850100 570386292 /nfs/dbraw/zinc/38/62/92/570386292.db2.gz ZHNSTOCKMHWZPL-DEDYPNTBSA-N 0 0 396.446 4.364 40 0 GIABRN CC[C@H](C(=O)Nc1ccc(Cl)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220530516 570388215 /nfs/dbraw/zinc/38/82/15/570388215.db2.gz HFVRVZCWLOUTQI-QGZVFWFLSA-N 0 0 394.924 4.140 40 0 GIABRN CCc1ccccc1NC(=O)[C@@H](CC)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220558614 570388582 /nfs/dbraw/zinc/38/85/82/570388582.db2.gz NERUMPXOBYXMHA-HXUWFJFHSA-N 0 0 388.533 4.049 40 0 GIABRN CC(=O)Nc1ccc2c(c1)Cc1c-2cc(Br)c(N)c1Br ZINC000004822619 570408869 /nfs/dbraw/zinc/40/88/69/570408869.db2.gz NXALXYQPYBYBCH-UHFFFAOYSA-N 0 0 396.082 4.323 40 0 GIABRN CCN(c1ccc(C(=O)Nc2cccc3ccccc32)cc1)S(=O)(=O)CC ZINC000222390371 570409319 /nfs/dbraw/zinc/40/93/19/570409319.db2.gz OGCQVFSBEYPMEE-UHFFFAOYSA-N 0 0 382.485 4.268 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 ZINC000222449090 570411155 /nfs/dbraw/zinc/41/11/55/570411155.db2.gz SFKHPAGNFFJFMK-JOCHJYFZSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F ZINC000222457585 570411176 /nfs/dbraw/zinc/41/11/76/570411176.db2.gz RXCVFYRDCFDJGD-NRFANRHFSA-N 0 0 384.495 4.009 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 ZINC000222461404 570411646 /nfs/dbraw/zinc/41/16/46/570411646.db2.gz NPMNOGJCOZNEPN-JOCHJYFZSA-N 0 0 380.532 4.260 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F ZINC000222505606 570412884 /nfs/dbraw/zinc/41/28/84/570412884.db2.gz XLFQMWKHSHFMJE-OAQYLSRUSA-N 0 0 384.495 4.009 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1 ZINC000222502023 570413018 /nfs/dbraw/zinc/41/30/18/570413018.db2.gz UXIOCQPWWNOUQL-QFIPXVFZSA-N 0 0 396.531 4.014 40 0 GIABRN Cc1ccc(NC(=O)CCNC(=O)c2ccc3c(c2)nc(Cl)n3C(C)C)cc1 ZINC000222549370 570414184 /nfs/dbraw/zinc/41/41/84/570414184.db2.gz IJTBVKZVYDPKRV-UHFFFAOYSA-N 0 0 398.894 4.338 40 0 GIABRN CC(C)n1c(Cl)nc2cc(C(=O)NCCC(=O)Nc3ccccc3)ccc21 ZINC000222548255 570414230 /nfs/dbraw/zinc/41/42/30/570414230.db2.gz DZIHQDDENXWKFY-UHFFFAOYSA-N 0 0 384.867 4.029 40 0 GIABRN CN(Cc1cccn1-c1ccccc1)C(=O)c1ccc2nc(Cl)n(C)c2c1 ZINC000222559229 570414491 /nfs/dbraw/zinc/41/44/91/570414491.db2.gz NNQGPPCCEMVXPH-UHFFFAOYSA-N 0 0 378.863 4.290 40 0 GIABRN CC(C)(C)OC(=O)NCCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000139350905 570416655 /nfs/dbraw/zinc/41/66/55/570416655.db2.gz UBRZVFBAPAUSBV-UHFFFAOYSA-N 0 0 396.487 4.440 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 ZINC000222623257 570417222 /nfs/dbraw/zinc/41/72/22/570417222.db2.gz RGPPKKKANGDWGS-XMSQKQJNSA-N 0 0 398.522 4.133 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1C ZINC000222625491 570417558 /nfs/dbraw/zinc/41/75/58/570417558.db2.gz BRZNPFMPZOTBRS-OFNKIYASSA-N 0 0 394.559 4.302 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1C ZINC000222625574 570417572 /nfs/dbraw/zinc/41/75/72/570417572.db2.gz BRZNPFMPZOTBRS-REWPJTCUSA-N 0 0 394.559 4.302 40 0 GIABRN Cc1cccc(N(CCCC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c1C ZINC000222627078 570417646 /nfs/dbraw/zinc/41/76/46/570417646.db2.gz ZAUUNIJRGJKCBC-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000222625664 570417666 /nfs/dbraw/zinc/41/76/66/570417666.db2.gz HOQBTAMKWICMRG-NFBKMPQASA-N 0 0 394.559 4.302 40 0 GIABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC)c(C)c3OC)N21 ZINC000222648674 570418728 /nfs/dbraw/zinc/41/87/28/570418728.db2.gz KNQAIXIYGHGFLO-GDIGMMSISA-N 0 0 383.517 4.387 40 0 GIABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(OC)cc3C)N21 ZINC000222648945 570418751 /nfs/dbraw/zinc/41/87/51/570418751.db2.gz JRSDBXNZBZJNKR-VHKYSDTDSA-N 0 0 383.517 4.387 40 0 GIABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(Cl)c(O)c(OC)c3)N21 ZINC000222657129 570418997 /nfs/dbraw/zinc/41/89/97/570418997.db2.gz YQLIDUXUGISXPR-JCURWCKSSA-N 0 0 389.908 4.429 40 0 GIABRN CCOc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1OC ZINC000222655796 570419054 /nfs/dbraw/zinc/41/90/54/570419054.db2.gz UBCUKUCNNCZUGC-CDHQVMDDSA-N 0 0 383.517 4.468 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cccnc3)N21 ZINC000222670942 570419815 /nfs/dbraw/zinc/41/98/15/570419815.db2.gz FVAZVMPPMJHMDD-CDHQVMDDSA-N 0 0 375.501 4.247 40 0 GIABRN Cc1ccccc1CN(C(=O)COc1ccccc1C)[C@@H](C)C(=O)NC(C)(C)C ZINC000222675401 570420121 /nfs/dbraw/zinc/42/01/21/570420121.db2.gz BRHWTGSYYNJXNW-IBGZPJMESA-N 0 0 396.531 4.014 40 0 GIABRN Cc1ccccc1CN(C(=O)CCc1ccccc1)[C@H](C)C(=O)NC(C)(C)C ZINC000222678924 570420378 /nfs/dbraw/zinc/42/03/78/570420378.db2.gz MZYIYAUOFPBYOK-LJQANCHMSA-N 0 0 380.532 4.260 40 0 GIABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3C[C@@H]3CCCO3)N21 ZINC000222686256 570420685 /nfs/dbraw/zinc/42/06/85/570420685.db2.gz ZTTHKDXAEIIQQI-CPLUKWAASA-N 0 0 382.533 4.042 40 0 GIABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3C[C@@H]3CCCO3)N21 ZINC000222686380 570420799 /nfs/dbraw/zinc/42/07/99/570420799.db2.gz ZTTHKDXAEIIQQI-XAMWDVODSA-N 0 0 382.533 4.042 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)CSCc3ccccc3F)n2)c1 ZINC000222713366 570421879 /nfs/dbraw/zinc/42/18/79/570421879.db2.gz YKCZCMOTPIRZMU-UHFFFAOYSA-N 0 0 385.464 4.076 40 0 GIABRN CN(CCNC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000222730809 570422758 /nfs/dbraw/zinc/42/27/58/570422758.db2.gz IEMBACPOMZRQML-UHFFFAOYSA-N 0 0 383.344 4.479 40 0 GIABRN Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)ccc1Cl ZINC000222734526 570422896 /nfs/dbraw/zinc/42/28/96/570422896.db2.gz UALYJOGEFUIYGP-ZIAGYGMSSA-N 0 0 375.852 4.064 40 0 GIABRN Cc1ccccc1CNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000222737865 570422998 /nfs/dbraw/zinc/42/29/98/570422998.db2.gz RXTPVDIIPLXYGC-ZHZULCJRSA-N 0 0 376.481 4.144 40 0 GIABRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000101176397 570423569 /nfs/dbraw/zinc/42/35/69/570423569.db2.gz HCYCUAOHHQFOOQ-FSSWDIPSSA-N 0 0 384.435 4.046 40 0 GIABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccco2)c1C ZINC000222775053 570425211 /nfs/dbraw/zinc/42/52/11/570425211.db2.gz CCHGVDUGAHCZSM-PMACEKPBSA-N 0 0 380.517 4.134 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C ZINC000222777458 570425271 /nfs/dbraw/zinc/42/52/71/570425271.db2.gz XXGJDVIYHFNUQF-AWEZNQCLSA-N 0 0 393.314 4.008 40 0 GIABRN CC(C)(C)c1ccccc1OCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000007382325 570425367 /nfs/dbraw/zinc/42/53/67/570425367.db2.gz NDXKDBKRVRNXCC-UHFFFAOYSA-N 0 0 386.923 4.365 40 0 GIABRN Cc1ccc(CN(C(=O)COc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222780957 570425512 /nfs/dbraw/zinc/42/55/12/570425512.db2.gz CDVPHOPHOJKPOX-IBGZPJMESA-N 0 0 396.531 4.014 40 0 GIABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(Br)cs1 ZINC000222814725 570427295 /nfs/dbraw/zinc/42/72/95/570427295.db2.gz ZOUZUSYYECQKTL-ZIAGYGMSSA-N 0 0 382.352 4.287 40 0 GIABRN COc1ccc(Cl)cc1S(=O)(=O)NCCCc1ccc(OC(C)C)cc1 ZINC000222842619 570428625 /nfs/dbraw/zinc/42/86/25/570428625.db2.gz WHHJNHKNWJPPBN-UHFFFAOYSA-N 0 0 397.924 4.047 40 0 GIABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000222844582 570428690 /nfs/dbraw/zinc/42/86/90/570428690.db2.gz PZWGLIHYPACUTF-RBUKOAKNSA-N 0 0 397.935 4.302 40 0 GIABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2nccs2)c1C ZINC000222862986 570429344 /nfs/dbraw/zinc/42/93/44/570429344.db2.gz HYIUVRCFBVZZOZ-QZTJIDSGSA-N 0 0 397.573 4.328 40 0 GIABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F ZINC000222885861 570429875 /nfs/dbraw/zinc/42/98/75/570429875.db2.gz JQHWEFHGNQOOMW-UXHICEINSA-N 0 0 380.492 4.394 40 0 GIABRN CCCc1nnc(CSc2nnc(-c3cc(Cl)ccc3OC)n2CC)o1 ZINC000007604701 570430187 /nfs/dbraw/zinc/43/01/87/570430187.db2.gz LLPXXEAKLYAOLX-UHFFFAOYSA-N 0 0 393.900 4.255 40 0 GIABRN CCc1ccc([C@@H](C)NS(=O)(=O)Cc2cccc(Br)c2)cc1 ZINC000222924267 570431700 /nfs/dbraw/zinc/43/17/00/570431700.db2.gz CVSNAGJAWJNGEV-CYBMUJFWSA-N 0 0 382.323 4.192 40 0 GIABRN COc1ccc(-c2n[nH]cc2C=C2SC(=O)N(c3cccc(O)c3)C2=O)cc1 ZINC000005236040 570432042 /nfs/dbraw/zinc/43/20/42/570432042.db2.gz OHFKDXRFPMWAOE-MFOYZWKCSA-N 0 0 393.424 4.032 40 0 GIABRN COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(C)c(Cl)c2)CC1=O ZINC000007881877 570432162 /nfs/dbraw/zinc/43/21/62/570432162.db2.gz YFIOBXIOXMFVQW-GFCCVEGCSA-N 0 0 393.270 4.302 40 0 GIABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000222953990 570432886 /nfs/dbraw/zinc/43/28/86/570432886.db2.gz OTCYLWJZSQVUAC-HXUWFJFHSA-N 0 0 380.488 4.336 40 0 GIABRN CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1OCC ZINC000027384008 570434171 /nfs/dbraw/zinc/43/41/71/570434171.db2.gz AUPMDEHZRVSKJC-OAHLLOKOSA-N 0 0 384.476 4.265 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccccc1 ZINC000222998906 570435987 /nfs/dbraw/zinc/43/59/87/570435987.db2.gz QYSDTYRYYRYYIO-HXUWFJFHSA-N 0 0 380.532 4.261 40 0 GIABRN CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OCCOCCOCCOCCO2 ZINC000005379807 570436673 /nfs/dbraw/zinc/43/66/73/570436673.db2.gz GAYXBCYMVBNDOW-UHFFFAOYSA-N 0 0 380.525 4.103 40 0 GIABRN Cc1ccccc1C(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000007939761 570436962 /nfs/dbraw/zinc/43/69/62/570436962.db2.gz DDSRUIDUGVKTGQ-UHFFFAOYSA-N 0 0 382.641 4.206 40 0 GIABRN Cc1ccc(Cl)cc1NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 ZINC000005439696 570439312 /nfs/dbraw/zinc/43/93/12/570439312.db2.gz ZBGHRYBZUDJEFU-UHFFFAOYSA-N 0 0 392.908 4.139 40 0 GIABRN CCCCNC(=O)/C(=C/c1cccc(N(CC)CC)c1)NC(=O)c1ccccc1 ZINC000005499216 570443055 /nfs/dbraw/zinc/44/30/55/570443055.db2.gz QWJZJGRCSQLBBJ-PYCFMQQDSA-N 0 0 393.531 4.220 40 0 GIABRN Cc1ccc(CCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223117235 570444206 /nfs/dbraw/zinc/44/42/06/570444206.db2.gz DMCZXHBQCRUCSU-HXUWFJFHSA-N 0 0 394.559 4.302 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(C)c(C)c1 ZINC000223120586 570444725 /nfs/dbraw/zinc/44/47/25/570444725.db2.gz LFBNUYQLQXNIRX-OALUTQOASA-N 0 0 398.522 4.317 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)c3cc(Cl)ccc3OC)s2)cc1 ZINC000039761082 570445708 /nfs/dbraw/zinc/44/57/08/570445708.db2.gz CAFQCAYUYPQBPL-UHFFFAOYSA-N 0 0 375.837 4.128 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 ZINC000223134318 570445801 /nfs/dbraw/zinc/44/58/01/570445801.db2.gz ALWAGOMVHQNDOU-FQEVSTJZSA-N 0 0 386.923 4.134 40 0 GIABRN COC(=O)c1cc2c(C(=O)OC)cc1CSCc1cccc(c1)CSC2 ZINC000005573830 570446743 /nfs/dbraw/zinc/44/67/43/570446743.db2.gz APPIWHXINDNDRP-UHFFFAOYSA-N 0 0 388.510 4.440 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 ZINC000223175927 570448246 /nfs/dbraw/zinc/44/82/46/570448246.db2.gz CUSWVOLNFDPLLK-NRFANRHFSA-N 0 0 396.531 4.096 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 ZINC000223224097 570450931 /nfs/dbraw/zinc/45/09/31/570450931.db2.gz XSNDVWZNBATZLS-NRFANRHFSA-N 0 0 396.531 4.096 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223232255 570451330 /nfs/dbraw/zinc/45/13/30/570451330.db2.gz HMLCPHXIUVZPBI-JOCHJYFZSA-N 0 0 398.522 4.435 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c1 ZINC000028218518 570452865 /nfs/dbraw/zinc/45/28/65/570452865.db2.gz ZSXJZSLJBARSIR-CQSZACIVSA-N 0 0 385.851 4.124 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1C ZINC000223268353 570454639 /nfs/dbraw/zinc/45/46/39/570454639.db2.gz VFPIMDOPTYNYLI-UHFFFAOYSA-N 0 0 385.938 4.036 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 ZINC000223269867 570454660 /nfs/dbraw/zinc/45/46/60/570454660.db2.gz ARMLEPYRVQEEQF-OAQYLSRUSA-N 0 0 396.531 4.096 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 ZINC000223284646 570456252 /nfs/dbraw/zinc/45/62/52/570456252.db2.gz XYOQFAJGZMBUFY-GOSISDBHSA-N 0 0 393.314 4.089 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1C[C@@H]1CCCO1 ZINC000223303937 570457235 /nfs/dbraw/zinc/45/72/35/570457235.db2.gz CENZMXQLBFTGEW-YYWHXJBOSA-N 0 0 396.560 4.150 40 0 GIABRN Cc1c(Br)c(N)c(Br)c(C)c1NC(=O)C(C)(C)C ZINC000045890814 570458941 /nfs/dbraw/zinc/45/89/41/570458941.db2.gz GMZHLXLNYNNOKM-UHFFFAOYSA-N 0 0 378.108 4.395 40 0 GIABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 ZINC000005855636 570459345 /nfs/dbraw/zinc/45/93/45/570459345.db2.gz CTUCIGYMWPEMBC-UHFFFAOYSA-N 0 0 381.457 4.217 40 0 GIABRN Cc1ccc(NC(=O)Cc2sc(Nc3cccc(Cl)c3C)nc2O)cc1 ZINC000005891734 570460766 /nfs/dbraw/zinc/46/07/66/570460766.db2.gz NMLSXGMUYTXGRL-MRXNPFEDSA-N 0 0 387.892 4.396 40 0 GIABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C ZINC000223379826 570463239 /nfs/dbraw/zinc/46/32/39/570463239.db2.gz SLHYTNMPJUOOLP-RTWAWAEBSA-N 0 0 376.529 4.210 40 0 GIABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000223405634 570464002 /nfs/dbraw/zinc/46/40/02/570464002.db2.gz CABNQEUDPAFNIW-OAQYLSRUSA-N 0 0 396.874 4.339 40 0 GIABRN O=S(=O)(Cc1c(F)cccc1Cl)NCc1cccc(C(F)(F)F)c1 ZINC000223441447 570466324 /nfs/dbraw/zinc/46/63/24/570466324.db2.gz LPFGEJBGQQVWFZ-UHFFFAOYSA-N 0 0 381.778 4.118 40 0 GIABRN Cc1cc(C)cc(NC(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000035314119 570468577 /nfs/dbraw/zinc/46/85/77/570468577.db2.gz KBBASUKAHJBFHX-UHFFFAOYSA-N 0 0 394.471 4.201 40 0 GIABRN CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C ZINC000223492425 570468737 /nfs/dbraw/zinc/46/87/37/570468737.db2.gz VNPCHWWKZFTHMK-NHCUHLMSSA-N 0 0 391.544 4.088 40 0 GIABRN COc1ccccc1NC(=O)N1CCC(n2c(C)nc3cc(F)ccc32)CC1 ZINC000035314471 570469056 /nfs/dbraw/zinc/46/90/56/570469056.db2.gz SUIKUXQIHYBUEL-UHFFFAOYSA-N 0 0 382.439 4.361 40 0 GIABRN COc1ccc(-c2cc3nc(C)cc(NCc4ccc5c(c4)OCO5)n3n2)cc1 ZINC000035315215 570469568 /nfs/dbraw/zinc/46/95/68/570469568.db2.gz VPMSGOGJTMWEDM-UHFFFAOYSA-N 0 0 388.427 4.054 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223547083 570470817 /nfs/dbraw/zinc/47/08/17/570470817.db2.gz RJDOJKWSWZZGFP-CQSZACIVSA-N 0 0 393.314 4.089 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCSCc1ccccc1 ZINC000223582986 570472845 /nfs/dbraw/zinc/47/28/45/570472845.db2.gz RYEJOTDKHLSTNH-IBGZPJMESA-N 0 0 398.572 4.172 40 0 GIABRN O=S(=O)(NCc1nc(-c2cccc(Cl)c2)no1)c1ccc2ccccc2c1 ZINC000223592076 570473101 /nfs/dbraw/zinc/47/31/01/570473101.db2.gz CMMYSCBPGGZUHM-UHFFFAOYSA-N 0 0 399.859 4.022 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1C ZINC000223594500 570473610 /nfs/dbraw/zinc/47/36/10/570473610.db2.gz GEOUUSZJEGLURT-LJQANCHMSA-N 0 0 398.572 4.090 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(C)cc1 ZINC000223594638 570473681 /nfs/dbraw/zinc/47/36/81/570473681.db2.gz CWHOFFWQEOQSIS-LJQANCHMSA-N 0 0 398.572 4.090 40 0 GIABRN Cc1nnc2sc(-c3cccc(NC(=O)c4ccc(C)cc4Cl)c3)nn12 ZINC000006281971 570475729 /nfs/dbraw/zinc/47/57/29/570475729.db2.gz YGRYGGLEQDVNIM-UHFFFAOYSA-N 0 0 383.864 4.375 40 0 GIABRN CCOc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1Br ZINC000006355415 570477875 /nfs/dbraw/zinc/47/78/75/570477875.db2.gz TVDORKZXLSRBKM-UHFFFAOYSA-N 0 0 388.217 4.207 40 0 GIABRN O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)C(F)(F)F)c1ccccc1 ZINC000000800238 570482805 /nfs/dbraw/zinc/48/28/05/570482805.db2.gz IKPFZKFEZCOHPZ-INIZCTEOSA-N 0 0 396.434 4.444 40 0 GIABRN CCCOc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)c1 ZINC000006569873 570483545 /nfs/dbraw/zinc/48/35/45/570483545.db2.gz YMZVZIHEQVUYFF-UHFFFAOYSA-N 0 0 383.517 4.202 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl ZINC000223769486 570483868 /nfs/dbraw/zinc/48/38/68/570483868.db2.gz QILSCLBLTQRGNA-CQSZACIVSA-N 0 0 393.314 4.089 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223792560 570484663 /nfs/dbraw/zinc/48/46/63/570484663.db2.gz LVHYIGUFMOJPNH-LJQANCHMSA-N 0 0 378.516 4.014 40 0 GIABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2C)cc1 ZINC000223791599 570484762 /nfs/dbraw/zinc/48/47/62/570484762.db2.gz KKBPXYPUZKDYMX-NHCUHLMSSA-N 0 0 392.528 4.304 40 0 GIABRN Cc1cccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223795043 570485222 /nfs/dbraw/zinc/48/52/22/570485222.db2.gz HJZKFNDEZVVDJX-FQEVSTJZSA-N 0 0 392.543 4.404 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000223809357 570485259 /nfs/dbraw/zinc/48/52/59/570485259.db2.gz XDHKLDOZHYRYFW-OAQYLSRUSA-N 0 0 384.495 4.092 40 0 GIABRN Cc1cc(C)n(Cc2ccc(C(=O)NCCOc3ccccc3C(C)C)cc2)n1 ZINC000223835294 570486177 /nfs/dbraw/zinc/48/61/77/570486177.db2.gz ACHCMEDCJJJZKC-UHFFFAOYSA-N 0 0 391.515 4.480 40 0 GIABRN COc1ccc2cc(S(=O)(=O)NCCOc3ccccc3C(C)C)ccc2c1 ZINC000223834194 570486250 /nfs/dbraw/zinc/48/62/50/570486250.db2.gz JQJPTUOXVKCCOQ-UHFFFAOYSA-N 0 0 399.512 4.329 40 0 GIABRN CCOc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 ZINC000006656780 570486288 /nfs/dbraw/zinc/48/62/88/570486288.db2.gz YAAGFDXPUUMXNH-UHFFFAOYSA-N 0 0 386.407 4.138 40 0 GIABRN CCCOc1ccccc1CCCNS(=O)(=O)c1ccc(OC)c(C)c1C ZINC000223840811 570486525 /nfs/dbraw/zinc/48/65/25/570486525.db2.gz MUGQVKLDWWOFCE-UHFFFAOYSA-N 0 0 391.533 4.012 40 0 GIABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2CC)cc1 ZINC000223837616 570486657 /nfs/dbraw/zinc/48/66/57/570486657.db2.gz AQSNMYFYSQYCLX-NHCUHLMSSA-N 0 0 392.528 4.479 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCC2=CCCCC2)cc1 ZINC000223865619 570487599 /nfs/dbraw/zinc/48/75/99/570487599.db2.gz WPEPCLFWHLNFFJ-UHFFFAOYSA-N 0 0 398.528 4.050 40 0 GIABRN O=C(NC1CCCCCCC1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223926353 570490572 /nfs/dbraw/zinc/49/05/72/570490572.db2.gz HKDLKQIVZYZNRD-UHFFFAOYSA-N 0 0 386.517 4.330 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCC3=CCCCC3)ccc2C)c1 ZINC000223941905 570491389 /nfs/dbraw/zinc/49/13/89/570491389.db2.gz FGAPZQWLSLHJFF-UHFFFAOYSA-N 0 0 398.528 4.334 40 0 GIABRN CCC(CC)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223980067 570492769 /nfs/dbraw/zinc/49/27/69/570492769.db2.gz XMEAEJOZJDMXMH-UHFFFAOYSA-N 0 0 380.897 4.059 40 0 GIABRN Cc1cc(Br)cc(C)c1NC(=O)COC(=O)c1ccc(F)cc1 ZINC000006796629 570493666 /nfs/dbraw/zinc/49/36/66/570493666.db2.gz FRVZGPUKEWDZQX-UHFFFAOYSA-N 0 0 380.213 4.001 40 0 GIABRN CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1ccc(OC)c(C)c1 ZINC000224002043 570493968 /nfs/dbraw/zinc/49/39/68/570493968.db2.gz RQGQBDZXSYQKBV-HNNXBMFYSA-N 0 0 383.897 4.095 40 0 GIABRN CCC(CC)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000224016836 570495025 /nfs/dbraw/zinc/49/50/25/570495025.db2.gz LKOQXFZZJLAADU-UHFFFAOYSA-N 0 0 394.924 4.368 40 0 GIABRN Cc1ccc(NC(=S)NCC2(c3cccc(Cl)c3)CCOCC2)nc1 ZINC000224020538 570495039 /nfs/dbraw/zinc/49/50/39/570495039.db2.gz CPSCQVVRVMNNET-UHFFFAOYSA-N 0 0 375.925 4.078 40 0 GIABRN CCC(C)(C)NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000224063828 570496758 /nfs/dbraw/zinc/49/67/58/570496758.db2.gz TVNWGESCEURVCK-UHFFFAOYSA-N 0 0 394.924 4.368 40 0 GIABRN COc1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)c(OC)cc1Cl ZINC000224058769 570496770 /nfs/dbraw/zinc/49/67/70/570496770.db2.gz ACXGNMXMCMJGNL-UHFFFAOYSA-N 0 0 392.242 4.449 40 0 GIABRN O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccccc1Cl ZINC000006885826 570498308 /nfs/dbraw/zinc/49/83/08/570498308.db2.gz IEKGWTUBSFVLJD-UHFFFAOYSA-N 0 0 376.799 4.393 40 0 GIABRN COc1ccc(S[C@@H](C)C(=O)NCCSCc2ccccc2)cc1OC ZINC000030855543 570498825 /nfs/dbraw/zinc/49/88/25/570498825.db2.gz VPERIZOHHVBIFS-HNNXBMFYSA-N 0 0 391.558 4.234 40 0 GIABRN COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1Br ZINC000006922155 570499021 /nfs/dbraw/zinc/49/90/21/570499021.db2.gz BOLVSJDUVPLDOB-UHFFFAOYSA-N 0 0 384.657 4.437 40 0 GIABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl ZINC000224110012 570499070 /nfs/dbraw/zinc/49/90/70/570499070.db2.gz CDACKDFUZQPREP-KRWDZBQOSA-N 0 0 386.923 4.072 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1c1ccccc1 ZINC000224154163 570501190 /nfs/dbraw/zinc/50/11/90/570501190.db2.gz LGXCBCHJBVMOOO-YADHBBJMSA-N 0 0 397.507 4.444 40 0 GIABRN Cc1ccc(CN(C(=O)CSc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224176098 570502212 /nfs/dbraw/zinc/50/22/12/570502212.db2.gz WNSJSXZIMZZGEZ-IBGZPJMESA-N 0 0 398.572 4.277 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224174920 570502369 /nfs/dbraw/zinc/50/23/69/570502369.db2.gz KEZZOONGWHBUGQ-NRFANRHFSA-N 0 0 394.559 4.344 40 0 GIABRN Cc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)n12 ZINC000000877079 570503785 /nfs/dbraw/zinc/50/37/85/570503785.db2.gz MIOWQGGVOGARLU-HOTGVXAUSA-N 0 0 382.533 4.381 40 0 GIABRN Cc1ccc(OCCNS(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1 ZINC000224214535 570503778 /nfs/dbraw/zinc/50/37/78/570503778.db2.gz FSCJBQPSUFZNAG-UHFFFAOYSA-N 0 0 388.316 4.109 40 0 GIABRN COc1ccc([C@@H]2C[C@@](C)(N3CCCC3)Oc3cc4c(cc32)OCO4)c(OC)c1 ZINC000031430372 570504676 /nfs/dbraw/zinc/50/46/76/570504676.db2.gz CBYNWEMJTGYPFZ-MBSDFSHPSA-N 0 0 397.471 4.159 40 0 GIABRN Cc1cc(OCC(=O)NCCc2ccc(Cl)cc2)cc(C)c1Br ZINC000224243027 570505206 /nfs/dbraw/zinc/50/52/06/570505206.db2.gz AWLIILZSDIOVNU-UHFFFAOYSA-N 0 0 396.712 4.457 40 0 GIABRN COc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccccc1OC ZINC000224239103 570505387 /nfs/dbraw/zinc/50/53/87/570505387.db2.gz VHYUSKSSZYOBQP-UHFFFAOYSA-N 0 0 391.467 4.255 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000224260549 570506335 /nfs/dbraw/zinc/50/63/35/570506335.db2.gz TVIVNOKKERBWPN-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN COC(=O)c1cccc(NC(=O)CSc2cc(C)nc3ccc(OC)cc32)c1 ZINC000000881270 570508338 /nfs/dbraw/zinc/50/83/38/570508338.db2.gz NIRCTNOYPVHXMV-UHFFFAOYSA-N 0 0 396.468 4.069 40 0 GIABRN Cc1cc(C)cc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224315018 570508595 /nfs/dbraw/zinc/50/85/95/570508595.db2.gz TZSUSXGJQQSMFM-IBGZPJMESA-N 0 0 398.522 4.175 40 0 GIABRN CCCCc1ccc2[nH]c(=NC(=S)NC(=O)c3ccc(F)cc3)sc2c1 ZINC000032118790 570509197 /nfs/dbraw/zinc/50/91/97/570509197.db2.gz QLDJLGKZWTWRLJ-UHFFFAOYSA-N 0 0 387.505 4.327 40 0 GIABRN COc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1OC ZINC000224396356 570511855 /nfs/dbraw/zinc/51/18/55/570511855.db2.gz DGPRGTDOZNKAPP-MRXNPFEDSA-N 0 0 383.488 4.009 40 0 GIABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCCOc1ccccc1OC ZINC000224456247 570513870 /nfs/dbraw/zinc/51/38/70/570513870.db2.gz KQQKECQVCLUQKR-IBGZPJMESA-N 0 0 379.456 4.201 40 0 GIABRN CC(C)CNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000000901074 570514302 /nfs/dbraw/zinc/51/43/02/570514302.db2.gz BJJYZANJUJJQCZ-GFCCVEGCSA-N 0 0 383.439 4.415 40 0 GIABRN CC(=O)Nc1sc2c(c1[C@@H](c1ccc(C)cc1)N1CCOCC1)CCCC2 ZINC000020192239 570514674 /nfs/dbraw/zinc/51/46/74/570514674.db2.gz LICYVNWQJOWLSH-OAQYLSRUSA-N 0 0 384.545 4.315 40 0 GIABRN CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1cccc(Cl)c1 ZINC000224486725 570515661 /nfs/dbraw/zinc/51/56/61/570515661.db2.gz ZGFYMNZMKUGOMY-LJQANCHMSA-N 0 0 389.879 4.227 40 0 GIABRN COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 ZINC000224531520 570516609 /nfs/dbraw/zinc/51/66/09/570516609.db2.gz GTQUIGNAGYNPCQ-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)c1ccc(OC)cc1 ZINC000000907686 570517153 /nfs/dbraw/zinc/51/71/53/570517153.db2.gz XZJCUUUIDLOEOB-UHFFFAOYSA-N 0 0 396.516 4.202 40 0 GIABRN Cc1cc(C)c2cc(CN(Cc3ccco3)C(=S)NCC(C)C)c(=O)[nH]c2c1 ZINC000000907839 570517184 /nfs/dbraw/zinc/51/71/84/570517184.db2.gz LDHIMYHZSJPJLI-UHFFFAOYSA-N 0 0 397.544 4.271 40 0 GIABRN COCc1cccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000224550220 570517582 /nfs/dbraw/zinc/51/75/82/570517582.db2.gz ASFURWKGFCGCHI-UHFFFAOYSA-N 0 0 390.886 4.476 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 ZINC000224585823 570519436 /nfs/dbraw/zinc/51/94/36/570519436.db2.gz FZLGWNVIPBUNFZ-HSZRJFAPSA-N 0 0 394.559 4.426 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 ZINC000224605864 570520504 /nfs/dbraw/zinc/52/05/04/570520504.db2.gz WYMXFVSXIBKOPD-SJORKVTESA-N 0 0 394.515 4.500 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSc1ccccc1 ZINC000224668161 570523550 /nfs/dbraw/zinc/52/35/50/570523550.db2.gz BJADDTSXISEJNP-GOSISDBHSA-N 0 0 384.545 4.031 40 0 GIABRN CCOC(=O)[C@@H](CC)Sc1nnc(COc2ccc(Cl)c(C)c2)n1CC ZINC000000916105 570524090 /nfs/dbraw/zinc/52/40/90/570524090.db2.gz SSYURZWPMKDDES-OAHLLOKOSA-N 0 0 397.928 4.273 40 0 GIABRN CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)NC[C@@H]2CCCO2)C12CCCCC2 ZINC000071285836 570524405 /nfs/dbraw/zinc/52/44/05/570524405.db2.gz UJTRLZADDMBHFV-LVCYWYKZSA-N 0 0 398.547 4.023 40 0 GIABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000224690949 570524842 /nfs/dbraw/zinc/52/48/42/570524842.db2.gz GILTVILCWANLOK-RBZLQPHVSA-N 0 0 380.513 4.132 40 0 GIABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccccc2)cc1 ZINC000033341011 570525301 /nfs/dbraw/zinc/52/53/01/570525301.db2.gz ZJOJSBHSLMPZQL-ZHZULCJRSA-N 0 0 376.481 4.144 40 0 GIABRN CCCOCc1cc(C(=O)Nc2ccc(C(=O)OCC)cc2)ccc1OCC ZINC000224708012 570526026 /nfs/dbraw/zinc/52/60/26/570526026.db2.gz VFAIMEGJLCXCML-UHFFFAOYSA-N 0 0 385.460 4.441 40 0 GIABRN CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000224736410 570527854 /nfs/dbraw/zinc/52/78/54/570527854.db2.gz NSEVGZXSKFPTRH-UHFFFAOYSA-N 0 0 394.212 4.293 40 0 GIABRN Brc1cnc(I)c(OCc2ccccc2)c1 ZINC000575422444 570528641 /nfs/dbraw/zinc/52/86/41/570528641.db2.gz GARBVRYLQMWMPC-UHFFFAOYSA-N 0 0 390.018 4.028 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000224805715 570531891 /nfs/dbraw/zinc/53/18/91/570531891.db2.gz FFDZSFRIRQNOAW-KRWDZBQOSA-N 0 0 386.923 4.134 40 0 GIABRN CCC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224841873 570533871 /nfs/dbraw/zinc/53/38/71/570533871.db2.gz PEPHGBZENUBWMD-QHCPKHFHSA-N 0 0 392.543 4.404 40 0 GIABRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)[nH]1 ZINC000224885410 570536497 /nfs/dbraw/zinc/53/64/97/570536497.db2.gz CQOUUDJKBXWCJB-MSOLQXFVSA-N 0 0 384.892 4.254 40 0 GIABRN CCOc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@@H](C)COC)o2)cc1 ZINC000224923730 570538250 /nfs/dbraw/zinc/53/82/50/570538250.db2.gz JKEICPDPVBBOIS-HNNXBMFYSA-N 0 0 380.444 4.172 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(F)(F)F)cc2)cc1Cl ZINC000224965371 570539893 /nfs/dbraw/zinc/53/98/93/570539893.db2.gz YFXBESYMGXOTMH-UHFFFAOYSA-N 0 0 379.787 4.193 40 0 GIABRN O=S(=O)(Cc1c(F)cccc1Cl)Nc1ccc(N2CCCCC2)cc1 ZINC000224959675 570540132 /nfs/dbraw/zinc/54/01/32/570540132.db2.gz PNZIIBDSTVFLCE-UHFFFAOYSA-N 0 0 382.888 4.411 40 0 GIABRN COc1ccccc1NC(=O)CSc1nc2cc3c(cc2cc1C)OCO3 ZINC000000929875 570540287 /nfs/dbraw/zinc/54/02/87/570540287.db2.gz CDHHWRDZHVVIHW-UHFFFAOYSA-N 0 0 382.441 4.011 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSc1ccccc1 ZINC000224974575 570540986 /nfs/dbraw/zinc/54/09/86/570540986.db2.gz GDFPULZAMUWDIT-MSOLQXFVSA-N 0 0 384.545 4.111 40 0 GIABRN CCNC(=S)N(Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000000931832 570541237 /nfs/dbraw/zinc/54/12/37/570541237.db2.gz MOBRMOSQKWSJGL-UHFFFAOYSA-N 0 0 379.529 4.042 40 0 GIABRN CSc1ccc(S(=O)(=O)N(C)c2ccc(Br)c(C)c2)cc1 ZINC000224985521 570541887 /nfs/dbraw/zinc/54/18/87/570541887.db2.gz HHZRETSSVKJHLR-UHFFFAOYSA-N 0 0 386.336 4.305 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000225011012 570543483 /nfs/dbraw/zinc/54/34/83/570543483.db2.gz PPQDMRKUEHBJDG-SJORKVTESA-N 0 0 386.923 4.215 40 0 GIABRN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccc(F)cc2)cc1 ZINC000002449039 570543734 /nfs/dbraw/zinc/54/37/34/570543734.db2.gz BQFDYFYCLFRASN-GIWBLDEGSA-N 0 0 383.463 4.343 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)COc1ccc(OC)cc1 ZINC000225030433 570544074 /nfs/dbraw/zinc/54/40/74/570544074.db2.gz UJBOQQVWONFVME-SBUREZEXSA-N 0 0 397.515 4.315 40 0 GIABRN Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000225051766 570545366 /nfs/dbraw/zinc/54/53/66/570545366.db2.gz OGBBDICEOHUYQE-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2ccccc2)n1C ZINC000000976229 570545537 /nfs/dbraw/zinc/54/55/37/570545537.db2.gz YSZUNLIWOHEKBL-UHFFFAOYSA-N 0 0 386.908 4.099 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 ZINC000225056914 570545684 /nfs/dbraw/zinc/54/56/84/570545684.db2.gz UZRRIQUOWZGWBA-WOJBJXKFSA-N 0 0 380.532 4.260 40 0 GIABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C ZINC000225053182 570545782 /nfs/dbraw/zinc/54/57/82/570545782.db2.gz XWRXXYXVDKFJLR-HNNXBMFYSA-N 0 0 376.865 4.050 40 0 GIABRN COc1ccc(CSCC(=O)Nc2nnc(SCC(C)C)s2)cc1 ZINC000225072805 570546975 /nfs/dbraw/zinc/54/69/75/570546975.db2.gz ZNPHEHBJKDYILJ-UHFFFAOYSA-N 0 0 383.564 4.167 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C ZINC000225092469 570547935 /nfs/dbraw/zinc/54/79/35/570547935.db2.gz JXWOAPPWYJMMGY-PMACEKPBSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 ZINC000225094312 570548329 /nfs/dbraw/zinc/54/83/29/570548329.db2.gz UOAWSMUEMVBEPS-RTBURBONSA-N 0 0 398.572 4.419 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccccc1 ZINC000225103264 570548770 /nfs/dbraw/zinc/54/87/70/570548770.db2.gz NEIFQZIEQOFSSY-NRFANRHFSA-N 0 0 398.572 4.421 40 0 GIABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000225108477 570549374 /nfs/dbraw/zinc/54/93/74/570549374.db2.gz CLQODZWDHDYORY-OAHLLOKOSA-N 0 0 395.908 4.238 40 0 GIABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc2c(c1)sc(=O)n2CC ZINC000225108713 570549409 /nfs/dbraw/zinc/54/94/09/570549409.db2.gz GAAYBRUUQPFYBL-QGZVFWFLSA-N 0 0 384.501 4.496 40 0 GIABRN CCCC[C@H](CC)CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(OC)cc1 ZINC000225121688 570550771 /nfs/dbraw/zinc/55/07/71/570550771.db2.gz HYEMDCZRZOGDPR-SZHLLGMXSA-N 0 0 398.503 4.392 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 ZINC000225131114 570551036 /nfs/dbraw/zinc/55/10/36/570551036.db2.gz RQNUNQHXDLIQDD-ZWKOTPCHSA-N 0 0 384.495 4.009 40 0 GIABRN COc1cccc([C@H]2c3cc4c(cc3O[C@@](C)(N3CCCC3)[C@H]2C)OCO4)c1O ZINC000035361743 570551983 /nfs/dbraw/zinc/55/19/83/570551983.db2.gz LDJUMRJNYFZQRI-OAJKGFPOSA-N 0 0 397.471 4.102 40 0 GIABRN COc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 ZINC000225153774 570552044 /nfs/dbraw/zinc/55/20/44/570552044.db2.gz IIOQNFMCCNWQIO-ZDUSSCGKSA-N 0 0 386.473 4.059 40 0 GIABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)Cc1ccccc1 ZINC000225151282 570552308 /nfs/dbraw/zinc/55/23/08/570552308.db2.gz LBDRAPNWJLYZCJ-SFHVURJKSA-N 0 0 396.506 4.234 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C ZINC000225157518 570552532 /nfs/dbraw/zinc/55/25/32/570552532.db2.gz BDYAJOCLASSUQA-HSZRJFAPSA-N 0 0 394.559 4.488 40 0 GIABRN CC[C@@H](NC(=O)c1ccc(I)cc1)c1ccc(C)cc1 ZINC000070134583 570556762 /nfs/dbraw/zinc/55/67/62/570556762.db2.gz HLKVJEVCGHYSSY-MRXNPFEDSA-N 0 0 379.241 4.481 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000225225279 570557618 /nfs/dbraw/zinc/55/76/18/570557618.db2.gz JRJUNPMYACEFBZ-FQEVSTJZSA-N 0 0 386.923 4.216 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C ZINC000225246910 570558897 /nfs/dbraw/zinc/55/88/97/570558897.db2.gz JBGUTBJWVPOJEA-ROUUACIJSA-N 0 0 384.495 4.009 40 0 GIABRN O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)NCc1cccnc1 ZINC000036182125 570560762 /nfs/dbraw/zinc/56/07/62/570560762.db2.gz NAGYITRYZNFQOD-UHFFFAOYSA-N 0 0 386.480 4.126 40 0 GIABRN O=C([C@H]1COc2ccccc2O1)N(Cc1ccco1)Cc1ccccc1Cl ZINC000028405151 570561964 /nfs/dbraw/zinc/56/19/64/570561964.db2.gz QYBXJTDYWSKIGB-HXUWFJFHSA-N 0 0 383.831 4.302 40 0 GIABRN Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C)COc3ccc(C)c(C)c3)cc2)n1 ZINC000225294217 570562522 /nfs/dbraw/zinc/56/25/22/570562522.db2.gz RBIDNMKZXDIJCD-LJQANCHMSA-N 0 0 391.515 4.362 40 0 GIABRN Cc1nccn1Cc1ccc(C(=O)N[C@H](C)COc2ccc(C)c(C)c2)cc1 ZINC000225299415 570563045 /nfs/dbraw/zinc/56/30/45/570563045.db2.gz RPDRZBIYPKMXGD-GOSISDBHSA-N 0 0 377.488 4.054 40 0 GIABRN COc1cccc2c1N(C(=O)CSc1nc(C)cc(C)n1)C(C)(C)C=C2C ZINC000009938233 570563090 /nfs/dbraw/zinc/56/30/90/570563090.db2.gz MUMGPYYAODJIKM-UHFFFAOYSA-N 0 0 383.517 4.423 40 0 GIABRN Cc1nc2ccccc2c(=O)n1CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000001222278 570564476 /nfs/dbraw/zinc/56/44/76/570564476.db2.gz FTLMLUMNGIQEEW-UHFFFAOYSA-N 0 0 381.520 4.199 40 0 GIABRN O=C(CSc1nnc(-c2cccc(O)c2)o1)Nc1cccc(C(F)(F)F)c1 ZINC000001224342 570565495 /nfs/dbraw/zinc/56/54/95/570565495.db2.gz OKBHMTKNVHZSFR-UHFFFAOYSA-N 0 0 395.362 4.192 40 0 GIABRN CCCC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2OCC)cc1OC ZINC000001324311 570566380 /nfs/dbraw/zinc/56/63/80/570566380.db2.gz LYCJIZUJCBONDG-UHFFFAOYSA-N 0 0 386.448 4.093 40 0 GIABRN COc1cc(C)c(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c(C)c1 ZINC000225361812 570567323 /nfs/dbraw/zinc/56/73/23/570567323.db2.gz SCMBOCLZLCMDNE-SFHVURJKSA-N 0 0 389.517 4.201 40 0 GIABRN O=C(c1cc2ccccc2oc1=O)N(Cc1ccco1)Cc1cccc(F)c1 ZINC000001330107 570567878 /nfs/dbraw/zinc/56/78/78/570567878.db2.gz KZBRUWGGTSAXDN-UHFFFAOYSA-N 0 0 377.371 4.368 40 0 GIABRN CC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCc2ccccc21 ZINC000001337580 570570013 /nfs/dbraw/zinc/57/00/13/570570013.db2.gz QDGCBSHGCXKSCP-OAQYLSRUSA-N 0 0 384.487 4.128 40 0 GIABRN CC(C)(C)n1nnnc1[C@H](c1ccc2ncccc2c1)N1CCc2ccccc21 ZINC000001337582 570570171 /nfs/dbraw/zinc/57/01/71/570570171.db2.gz QDGCBSHGCXKSCP-NRFANRHFSA-N 0 0 384.487 4.128 40 0 GIABRN Cc1nn2c(nnc3c2ccn([C@H]2CCC[C@H](C)[C@@H]2C)c3=O)c1-c1ccccc1 ZINC000040390952 570570780 /nfs/dbraw/zinc/57/07/80/570570780.db2.gz WZCJNUBTNWLNAG-MPGHIAIKSA-N 0 0 387.487 4.412 40 0 GIABRN O=C(CSc1nc(Cc2ccccc2)nc2ccccc21)NCc1ccco1 ZINC000001342633 570571460 /nfs/dbraw/zinc/57/14/60/570571460.db2.gz RPJFDEZLGSUOLW-UHFFFAOYSA-N 0 0 389.480 4.222 40 0 GIABRN CCOC(=O)c1cc(NC(=S)NCc2ccc(OCC)cc2)ccc1Cl ZINC000225431718 570573322 /nfs/dbraw/zinc/57/33/22/570573322.db2.gz APFXDZYRWMBTQH-UHFFFAOYSA-N 0 0 392.908 4.402 40 0 GIABRN CCCc1nc2sc(C)c(C)c2c(SCC(=O)Nc2nccs2)n1 ZINC000001372212 570575291 /nfs/dbraw/zinc/57/52/91/570575291.db2.gz ZIXQSCKBZMWYDR-UHFFFAOYSA-N 0 0 378.548 4.448 40 0 GIABRN FC(F)(F)c1ccc(NC(=S)NCc2ccc(-n3ccnc3)cc2)cc1 ZINC000225453932 570575841 /nfs/dbraw/zinc/57/58/41/570575841.db2.gz ZXXGAOHHBDSVMS-UHFFFAOYSA-N 0 0 376.407 4.378 40 0 GIABRN Cc1occc1-c1nnc(SCC(=O)NC2CCCCC2)n1CC(C)C ZINC000001361219 570576150 /nfs/dbraw/zinc/57/61/50/570576150.db2.gz QHVCLSAIBOEXQC-UHFFFAOYSA-N 0 0 376.526 4.044 40 0 GIABRN CC[C@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccc(OC)c(C)c1 ZINC000225460500 570576821 /nfs/dbraw/zinc/57/68/21/570576821.db2.gz GCSJIZJFGUIZQH-KRWDZBQOSA-N 0 0 385.888 4.367 40 0 GIABRN CCC(=O)N1CCc2cc(-c3nc(NC(=O)c4cccnc4)sc3C)ccc21 ZINC000001366664 570579634 /nfs/dbraw/zinc/57/96/34/570579634.db2.gz KEJQFOHYXGISNI-UHFFFAOYSA-N 0 0 392.484 4.065 40 0 GIABRN Cc1cc(C)c2c(c1)cc(CN(C(=O)c1ccccc1)C1CCCC1)c1nnnn12 ZINC000001367216 570579978 /nfs/dbraw/zinc/57/99/78/570579978.db2.gz RSYAWTBNIOLPLH-UHFFFAOYSA-N 0 0 399.498 4.479 40 0 GIABRN Cc1ccc(SCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225497059 570580660 /nfs/dbraw/zinc/58/06/60/570580660.db2.gz HJZHPQSMDPIMLI-LJQANCHMSA-N 0 0 398.572 4.337 40 0 GIABRN COc1ccc(NC(=O)c2sc(NC(=O)/C=C/c3ccccc3)nc2C)cc1 ZINC000001376052 570581558 /nfs/dbraw/zinc/58/15/58/570581558.db2.gz HQKZPNXRCGYYHE-MDWZMJQESA-N 0 0 393.468 4.364 40 0 GIABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000038755509 570582250 /nfs/dbraw/zinc/58/22/50/570582250.db2.gz ROYAVSZYMLYVPA-OXHGWOFKSA-N 0 0 392.543 4.318 40 0 GIABRN Cc1cc(NC(=S)N[C@@H](C)CCc2ccccc2)ccc1N1CCCC1=O ZINC000225515909 570582593 /nfs/dbraw/zinc/58/25/93/570582593.db2.gz RSWLFWZYRCOEIK-KRWDZBQOSA-N 0 0 381.545 4.430 40 0 GIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Br)cc1F ZINC000038756467 570582675 /nfs/dbraw/zinc/58/26/75/570582675.db2.gz ACBBFOARPVRKLR-INIZCTEOSA-N 0 0 382.229 4.393 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000225523517 570583470 /nfs/dbraw/zinc/58/34/70/570583470.db2.gz NIOOBXOVOZERRN-QHCPKHFHSA-N 0 0 396.506 4.211 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 ZINC000225527761 570583912 /nfs/dbraw/zinc/58/39/12/570583912.db2.gz GNVUDGXEYLLUAH-UGKGYDQZSA-N 0 0 380.532 4.260 40 0 GIABRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000225556427 570588008 /nfs/dbraw/zinc/58/80/08/570588008.db2.gz SKGFGDLBTDUENT-KRWDZBQOSA-N 0 0 386.923 4.215 40 0 GIABRN Cc1nccn1Cc1ccc(C(=O)NCCSCc2cccc(C)c2)cc1 ZINC000038851668 570588428 /nfs/dbraw/zinc/58/84/28/570588428.db2.gz XXXKIGHRVHDAHI-UHFFFAOYSA-N 0 0 379.529 4.211 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225570237 570589183 /nfs/dbraw/zinc/58/91/83/570589183.db2.gz GCQHSONCWGXLNH-KRWDZBQOSA-N 0 0 386.923 4.133 40 0 GIABRN COC(=O)c1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)c1C ZINC000225577202 570590361 /nfs/dbraw/zinc/59/03/61/570590361.db2.gz UTIIDNBIGPPHOX-QGZVFWFLSA-N 0 0 384.501 4.370 40 0 GIABRN CC(C)(C)SCCNC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225578485 570590395 /nfs/dbraw/zinc/59/03/95/570590395.db2.gz MQICJHDJMWKDLO-UHFFFAOYSA-N 0 0 386.964 4.339 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)Cc2cccc(Br)c2)cc1Cl ZINC000225618840 570594569 /nfs/dbraw/zinc/59/45/69/570594569.db2.gz ZKXHCYLRYSFRIE-UHFFFAOYSA-N 0 0 396.668 4.460 40 0 GIABRN Cc1ccc(NC(=O)C[C@H]2C(=O)N(C3CC3)c3nc4ccccc4n32)cc1Cl ZINC000039964131 570594650 /nfs/dbraw/zinc/59/46/50/570594650.db2.gz UETWOSUWYKWRHF-SFHVURJKSA-N 0 0 394.862 4.077 40 0 GIABRN CCc1ccc(CC)c(CNS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000225631663 570596604 /nfs/dbraw/zinc/59/66/04/570596604.db2.gz SOCDSOTYBRCSAR-UHFFFAOYSA-N 0 0 382.323 4.052 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](C)COc2ccccc2C)c1 ZINC000225636676 570596948 /nfs/dbraw/zinc/59/69/48/570596948.db2.gz RAMXKNTUCDXREL-MRXNPFEDSA-N 0 0 386.517 4.234 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)N[C@@H](C)COc2ccccc2C)c(C)c1 ZINC000225636717 570597033 /nfs/dbraw/zinc/59/70/33/570597033.db2.gz LTBGFLQJKQOROR-INIZCTEOSA-N 0 0 386.517 4.234 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)COc2ccccc2C)c1 ZINC000225636343 570597038 /nfs/dbraw/zinc/59/70/38/570597038.db2.gz VNWIYCMGMLFLRN-ZDUSSCGKSA-N 0 0 392.908 4.189 40 0 GIABRN O=c1[nH]c(N2CCCC2)nc2ncn(-c3ccc4ccccc4c3)c(=S)c12 ZINC000040385842 570599106 /nfs/dbraw/zinc/59/91/06/570599106.db2.gz FLXMONOJXGQWPK-UHFFFAOYSA-N 0 0 375.457 4.004 40 0 GIABRN Cc1cccc(N2CCN(C(=O)[C@H](C)Oc3ccc4c(c3)CCCC4)CC2)c1C ZINC000225661785 570599673 /nfs/dbraw/zinc/59/96/73/570599673.db2.gz HHBZAWKEEDKZNN-FQEVSTJZSA-N 0 0 392.543 4.298 40 0 GIABRN O=c1c2c(ccn1C1CCCCCC1)nc1ncnn1c2-c1ccc(F)cc1 ZINC000040398299 570601823 /nfs/dbraw/zinc/60/18/23/570601823.db2.gz WAUOUBGKFOQTGX-UHFFFAOYSA-N 0 0 377.423 4.141 40 0 GIABRN Cc1nc2nc3ccn([C@@H]4CCCC[C@H]4C)c(=O)c3c(-c3ccc(F)cc3)n2n1 ZINC000040398549 570602272 /nfs/dbraw/zinc/60/22/72/570602272.db2.gz OMNAQROCNLFTHF-FZKQIMNGSA-N 0 0 391.450 4.305 40 0 GIABRN CCCCCCn1ccc2nc3nc(C)nn3c(-c3cccc(OC)c3)c2c1=O ZINC000040398490 570602554 /nfs/dbraw/zinc/60/25/54/570602554.db2.gz SAHDCIISRMXAPY-UHFFFAOYSA-N 0 0 391.475 4.004 40 0 GIABRN COc1ccc2c(c1)[C@H](NC(=S)Nc1ccc3c(c1)OCO3)CC(C)(C)O2 ZINC000225682020 570602770 /nfs/dbraw/zinc/60/27/70/570602770.db2.gz KZKLBPGNVHDHNA-OAHLLOKOSA-N 0 0 386.473 4.013 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc2c(c1)OCO2 ZINC000225686216 570603215 /nfs/dbraw/zinc/60/32/15/570603215.db2.gz WQIODCXHVLDDOF-OAHLLOKOSA-N 0 0 386.473 4.013 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000225686763 570603328 /nfs/dbraw/zinc/60/33/28/570603328.db2.gz HTRLCULZYKPDRT-IBGZPJMESA-N 0 0 398.522 4.256 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c(C)c1 ZINC000225702278 570605651 /nfs/dbraw/zinc/60/56/51/570605651.db2.gz ANJPPJPXVJHLMZ-UHFFFAOYSA-N 0 0 376.503 4.062 40 0 GIABRN CC[C@@H](NC(=S)Nc1ccc(C)c(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000225722219 570608642 /nfs/dbraw/zinc/60/86/42/570608642.db2.gz OWXPPLRBPSBGJN-GOSISDBHSA-N 0 0 376.547 4.145 40 0 GIABRN CC[C@H](NC(=S)Nc1ccc(C)cc1C)c1ccc(S(C)(=O)=O)cc1 ZINC000225722048 570608666 /nfs/dbraw/zinc/60/86/66/570608666.db2.gz MJVWHNYLWXVRCI-KRWDZBQOSA-N 0 0 376.547 4.145 40 0 GIABRN CC[C@@H](NC(=S)Nc1ccc(C)cc1C)c1ccc(S(C)(=O)=O)cc1 ZINC000225722021 570608941 /nfs/dbraw/zinc/60/89/41/570608941.db2.gz MJVWHNYLWXVRCI-QGZVFWFLSA-N 0 0 376.547 4.145 40 0 GIABRN CSc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1NC(C)=O ZINC000225750302 570613372 /nfs/dbraw/zinc/61/33/72/570613372.db2.gz KZKWPTOLVPDBQI-UHFFFAOYSA-N 0 0 384.910 4.130 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)c2cc3cc(OC)ccc3oc2=O)cc1 ZINC000040949276 570614605 /nfs/dbraw/zinc/61/46/05/570614605.db2.gz CIIUDLIHANTXOR-UHFFFAOYSA-N 0 0 395.411 4.011 40 0 GIABRN CCOc1cc(CNC(=S)Nc2ccc(OC)c3ncccc23)ccc1OC ZINC000225771764 570615420 /nfs/dbraw/zinc/61/54/20/570615420.db2.gz NZPWSLBTZXHVDZ-UHFFFAOYSA-N 0 0 397.500 4.137 40 0 GIABRN CCOC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C ZINC000034291662 570616163 /nfs/dbraw/zinc/61/61/63/570616163.db2.gz YDXKVARHPPUWMG-HXUWFJFHSA-N 0 0 399.487 4.265 40 0 GIABRN C[C@@H](NC(=O)c1snnc1-c1ccc(Br)cc1)c1ccccc1 ZINC000225782503 570616838 /nfs/dbraw/zinc/61/68/38/570616838.db2.gz QUMCNAWTTOOKFP-LLVKDONJSA-N 0 0 388.290 4.459 40 0 GIABRN CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCC(=O)Nc3ccc(Cl)cc3)nnc12 ZINC000004130175 570617012 /nfs/dbraw/zinc/61/70/12/570617012.db2.gz XYAWKAXZXMZRJW-YJYMSZOUSA-N 0 0 388.924 4.431 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)c1 ZINC000225790969 570617834 /nfs/dbraw/zinc/61/78/34/570617834.db2.gz DIIUWXMUBBXBNF-MRXNPFEDSA-N 0 0 386.517 4.234 40 0 GIABRN CCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000004132564 570617833 /nfs/dbraw/zinc/61/78/33/570617833.db2.gz BYWFYWNKPXIAFR-UHFFFAOYSA-N 0 0 397.519 4.126 40 0 GIABRN CCCCOc1ccc(NC(=O)C2(OC)CCCCC2)cc1C(=O)OCC ZINC000225805273 570619220 /nfs/dbraw/zinc/61/92/20/570619220.db2.gz OTTSWTSUJJXEFP-UHFFFAOYSA-N 0 0 377.481 4.330 40 0 GIABRN O=C(NC12CC3CC(CC(C3)C1)C2)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000225804569 570619393 /nfs/dbraw/zinc/61/93/93/570619393.db2.gz SLIKKJQDZLRDQK-MTJSOVHGSA-N 0 0 390.483 4.136 40 0 GIABRN CCCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C(=O)OC ZINC000225807701 570619942 /nfs/dbraw/zinc/61/99/42/570619942.db2.gz KQBYZCMOFAZYDH-QVKFZJNVSA-N 0 0 377.481 4.186 40 0 GIABRN COCCN(C(=O)c1cccc(C)c1)c1nc(-c2ccc(OC)cc2)cs1 ZINC000004169367 570621492 /nfs/dbraw/zinc/62/14/92/570621492.db2.gz HDYBOFOZUPOQKM-UHFFFAOYSA-N 0 0 382.485 4.420 40 0 GIABRN CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 ZINC000225818544 570621512 /nfs/dbraw/zinc/62/15/12/570621512.db2.gz MQEPPGHKZQIWOT-BTYIYWSLSA-N 0 0 379.497 4.430 40 0 GIABRN Cc1ccccc1-c1noc(CNC(=S)Nc2ccc(OC(C)C)cc2)n1 ZINC000225829264 570622695 /nfs/dbraw/zinc/62/26/95/570622695.db2.gz QVDQPELCJRDDTG-UHFFFAOYSA-N 0 0 382.489 4.319 40 0 GIABRN CCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1C(=O)OC ZINC000225831399 570623608 /nfs/dbraw/zinc/62/36/08/570623608.db2.gz ZSYLFUCGYIVEFI-BTYIYWSLSA-N 0 0 377.481 4.186 40 0 GIABRN CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 ZINC000225839039 570624358 /nfs/dbraw/zinc/62/43/58/570624358.db2.gz NMZJJNGYBOYRNL-OAQYLSRUSA-N 0 0 379.497 4.432 40 0 GIABRN CC(=O)Nc1cccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)c1 ZINC000225836780 570624453 /nfs/dbraw/zinc/62/44/53/570624453.db2.gz LNBQOJIUURWMIC-UHFFFAOYSA-N 0 0 392.459 4.390 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCSCc2ccccc2)cc1C(C)C ZINC000225859524 570627778 /nfs/dbraw/zinc/62/77/78/570627778.db2.gz VCEFBMUTQMOHIY-UHFFFAOYSA-N 0 0 393.574 4.339 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)NC2(c3ccncc3)CCCC2)c1C ZINC000225863822 570628247 /nfs/dbraw/zinc/62/82/47/570628247.db2.gz HFWNTCHMGQVVLS-UHFFFAOYSA-N 0 0 383.517 4.323 40 0 GIABRN COCCOc1ncc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C ZINC000225868433 570629166 /nfs/dbraw/zinc/62/91/66/570629166.db2.gz DFPRWNPGUKAUKD-UHFFFAOYSA-N 0 0 386.467 4.395 40 0 GIABRN CCCCOc1ncc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1C ZINC000225878139 570629954 /nfs/dbraw/zinc/62/99/54/570629954.db2.gz HZUMIOAQOGSAMV-UHFFFAOYSA-N 0 0 398.503 4.264 40 0 GIABRN CCCCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)COc2ccccc2C)N1 ZINC000004565441 570630303 /nfs/dbraw/zinc/63/03/03/570630303.db2.gz OOZCZCWPOOAEQW-SFHVURJKSA-N 0 0 386.414 4.183 40 0 GIABRN Cc1nc2cc(C(=O)N3c4ccc(Br)cc4C[C@@H]3C)ccc2n1C ZINC000225892665 570631233 /nfs/dbraw/zinc/63/12/33/570631233.db2.gz ZTUFQXDCRKSOTN-NSHDSACASA-N 0 0 384.277 4.236 40 0 GIABRN O=C(NCCNc1ccnc2cc(Cl)ccc21)c1cc(-c2ccccc2)on1 ZINC000225898373 570631770 /nfs/dbraw/zinc/63/17/70/570631770.db2.gz MYOQGPCJDJQUMI-UHFFFAOYSA-N 0 0 392.846 4.385 40 0 GIABRN CCOc1ccc(NC(=O)C2(C3(C(=O)N4CCCC4)CC3)CC2)c2ccccc12 ZINC000225926187 570633782 /nfs/dbraw/zinc/63/37/82/570633782.db2.gz OLRQUERDRTZIHS-UHFFFAOYSA-N 0 0 392.499 4.360 40 0 GIABRN Cc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NCc2ccc(Cl)cc2)n1 ZINC000225935420 570634608 /nfs/dbraw/zinc/63/46/08/570634608.db2.gz BSEGTKPJHPPMQO-AWEZNQCLSA-N 0 0 389.956 4.304 40 0 GIABRN Cc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NCc2ccccc2Cl)n1 ZINC000225938246 570634749 /nfs/dbraw/zinc/63/47/49/570634749.db2.gz GDBFLSAISUGIDM-CYBMUJFWSA-N 0 0 389.956 4.161 40 0 GIABRN Nc1c2cc3cc4c(cc3nc2sc1C(=O)Nc1ccccc1F)OCCO4 ZINC000004848850 570634697 /nfs/dbraw/zinc/63/46/97/570634697.db2.gz CSBRTCABIIMLKF-UHFFFAOYSA-N 0 0 395.415 4.194 40 0 GIABRN CCc1nc2sc3c(c2c(NCCNC(=O)Nc2ccccc2)n1)CCCC3 ZINC000004848597 570634915 /nfs/dbraw/zinc/63/49/15/570634915.db2.gz YVDCZOZIWVKASD-UHFFFAOYSA-N 0 0 395.532 4.366 40 0 GIABRN CCc1cc2ccccc2nc1SCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000004849221 570635494 /nfs/dbraw/zinc/63/54/94/570635494.db2.gz WPTGUYYGOXRMAZ-UHFFFAOYSA-N 0 0 380.469 4.315 40 0 GIABRN Cc1ccc(CNC(=S)Nc2nc(Cl)cc(N3CCCC[C@@H]3C)n2)cc1 ZINC000225946557 570635575 /nfs/dbraw/zinc/63/55/75/570635575.db2.gz JUFISUDNRVENEE-AWEZNQCLSA-N 0 0 389.956 4.304 40 0 GIABRN COc1cc(Oc2ccccc2)nc(NC(=S)N[C@H](C)c2ccccc2)n1 ZINC000225957403 570636375 /nfs/dbraw/zinc/63/63/75/570636375.db2.gz VGADXPYTIGDXPX-CQSZACIVSA-N 0 0 380.473 4.325 40 0 GIABRN COc1ccc(NC(=O)C2(C)COC3(CCCCC3)OC2)cc1C(F)(F)F ZINC000225953640 570636433 /nfs/dbraw/zinc/63/64/33/570636433.db2.gz QWXMFUJQYLENIA-UHFFFAOYSA-N 0 0 387.398 4.366 40 0 GIABRN COCCOc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1C(F)(F)F ZINC000225956438 570636459 /nfs/dbraw/zinc/63/64/59/570636459.db2.gz PVLNZPOWVISPJZ-UHFFFAOYSA-N 0 0 379.378 4.401 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)Nc3ccccc3)cc2)cc1 ZINC000225983672 570637753 /nfs/dbraw/zinc/63/77/53/570637753.db2.gz VFFMCPRPTGRVJG-UHFFFAOYSA-N 0 0 394.496 4.001 40 0 GIABRN Cc1ccc(NC(=O)Cc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000225980429 570637815 /nfs/dbraw/zinc/63/78/15/570637815.db2.gz JSPAWFCTJAJVDL-UHFFFAOYSA-N 0 0 394.496 4.001 40 0 GIABRN O=C(Nc1cccc(Cl)c1)/C(=C/c1ccncc1)NC(=O)c1ccccc1 ZINC000004854896 570638249 /nfs/dbraw/zinc/63/82/49/570638249.db2.gz IZZNPFXLZTYTHS-UYRXBGFRSA-N 0 0 377.831 4.145 40 0 GIABRN Cc1c(NC(=O)[C@H](C)Oc2ccccc2C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000044901348 570640366 /nfs/dbraw/zinc/64/03/66/570640366.db2.gz OWJYIIBNMLHVCX-KRWDZBQOSA-N 0 0 393.487 4.014 40 0 GIABRN CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccoc1C ZINC000004860814 570640511 /nfs/dbraw/zinc/64/05/11/570640511.db2.gz UTPZZPLUBBMHQR-UHFFFAOYSA-N 0 0 376.869 4.251 40 0 GIABRN CCOc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000044947703 570645194 /nfs/dbraw/zinc/64/51/94/570645194.db2.gz VNWKJUXXMSYQSC-JOCHJYFZSA-N 0 0 381.497 4.462 40 0 GIABRN CCCOc1c(Br)cc(C(=O)Nc2cccc(O)c2)cc1OC ZINC000033871217 570647166 /nfs/dbraw/zinc/64/71/66/570647166.db2.gz HXWDGIGYMISJOX-UHFFFAOYSA-N 0 0 380.238 4.204 40 0 GIABRN Cc1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3C)o2)cc1 ZINC000059176064 570651172 /nfs/dbraw/zinc/65/11/72/570651172.db2.gz SQIMQSUSUCZUGE-UHFFFAOYSA-N 0 0 383.473 4.305 40 0 GIABRN COc1ccc(C(=O)CSc2nnc(COc3cccc(C)c3C)o2)cc1 ZINC000059176199 570651260 /nfs/dbraw/zinc/65/12/60/570651260.db2.gz DZXWDYHXZLJIKD-UHFFFAOYSA-N 0 0 384.457 4.249 40 0 GIABRN COc1ccccc1C(=O)Nc1cc(C)cn(Cc2ccccc2Cl)c1=O ZINC000005000872 570651403 /nfs/dbraw/zinc/65/14/03/570651403.db2.gz LJUCAVRCUDRRHU-UHFFFAOYSA-N 0 0 382.847 4.119 40 0 GIABRN CCn1c(SC)nnc1[C@@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000005001549 570651728 /nfs/dbraw/zinc/65/17/28/570651728.db2.gz VQXNOPFUJDQHKG-GFCCVEGCSA-N 0 0 398.454 4.059 40 0 GIABRN CCOc1cc([C@@H]2NC(=O)c3ccccc3O2)ccc1OCc1ccccc1 ZINC000005001212 570651891 /nfs/dbraw/zinc/65/18/91/570651891.db2.gz YCVRVNXDMUJHOY-HSZRJFAPSA-N 0 0 375.424 4.485 40 0 GIABRN O=Cc1cn(CC(=O)N2CCCc3ccccc32)c2ccc(Br)cc12 ZINC000059109399 570653987 /nfs/dbraw/zinc/65/39/87/570653987.db2.gz DHRPEKVGKMRLFZ-UHFFFAOYSA-N 0 0 397.272 4.196 40 0 GIABRN Cc1ccc(C(=O)C2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 ZINC000004966663 570654226 /nfs/dbraw/zinc/65/42/26/570654226.db2.gz PMCLWDYUWKQCIW-UHFFFAOYSA-N 0 0 378.516 4.454 40 0 GIABRN CCOc1ccc(-c2nnc(N(CCOC)C(=O)c3ccccc3C)s2)cc1 ZINC000004982641 570656334 /nfs/dbraw/zinc/65/63/34/570656334.db2.gz FRXZQLYONLFCLH-UHFFFAOYSA-N 0 0 397.500 4.205 40 0 GIABRN COC(=O)c1c2c(sc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1)CCCC2 ZINC000008494122 570657395 /nfs/dbraw/zinc/65/73/95/570657395.db2.gz HSCCIAGHYXAZGG-CQSZACIVSA-N 0 0 387.501 4.436 40 0 GIABRN CC(C)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000059488512 570658253 /nfs/dbraw/zinc/65/82/53/570658253.db2.gz AAYHLDKMCCYFOQ-QGZVFWFLSA-N 0 0 399.874 4.242 40 0 GIABRN Cc1ccc(NC(=O)[C@@H](C)Sc2n[nH]c(CNc3ccccc3)n2)cc1C ZINC000005448305 570663248 /nfs/dbraw/zinc/66/32/48/570663248.db2.gz PBTGIFJESWLLKW-OAHLLOKOSA-N 0 0 381.505 4.153 40 0 GIABRN C[C@H](Sc1n[nH]c(-c2cccnc2)n1)C(=O)Nc1cccc2ccccc21 ZINC000005486839 570663365 /nfs/dbraw/zinc/66/33/65/570663365.db2.gz HJWPXPSCOLBOLN-ZDUSSCGKSA-N 0 0 375.457 4.139 40 0 GIABRN C[C@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccccc3Cl)c2)C1 ZINC000006680925 570674827 /nfs/dbraw/zinc/67/48/27/570674827.db2.gz YVQPMBBULKEKPN-LBPRGKRZSA-N 0 0 398.937 4.074 40 0 GIABRN CCCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCC[C@H](C)C2)n1 ZINC000260735132 570701100 /nfs/dbraw/zinc/70/11/00/570701100.db2.gz FRLRGZCSUFFBSI-HNNXBMFYSA-N 0 0 385.537 4.202 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3c(C)c(C)n(CCOC)c3C)N21 ZINC000260769114 570703459 /nfs/dbraw/zinc/70/34/59/570703459.db2.gz KGEJMYFIXYTJBE-QMMLZNLJSA-N 0 0 398.576 4.434 40 0 GIABRN Oc1ccc(-c2n[nH]cc2CN(Cc2ccccc2F)C[C@@H]2CCCO2)cc1 ZINC000057811054 570703984 /nfs/dbraw/zinc/70/39/84/570703984.db2.gz UHQXMABTDQHYDP-FQEVSTJZSA-N 0 0 381.451 4.103 40 0 GIABRN Oc1ccc(-c2n[nH]cc2CN(Cc2ccccc2F)C[C@H]2CCCO2)cc1 ZINC000057811058 570704381 /nfs/dbraw/zinc/70/43/81/570704381.db2.gz UHQXMABTDQHYDP-HXUWFJFHSA-N 0 0 381.451 4.103 40 0 GIABRN COc1ccc(CN(Cc2cncn2Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000057811328 570704444 /nfs/dbraw/zinc/70/44/44/570704444.db2.gz NLLMYRKOOGQSLH-XMMPIXPASA-N 0 0 391.515 4.121 40 0 GIABRN CCc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000057906076 570704586 /nfs/dbraw/zinc/70/45/86/570704586.db2.gz DIMZFZIUCHYPMY-HXUWFJFHSA-N 0 0 379.529 4.297 40 0 GIABRN CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)ccc1OC ZINC000260772115 570704768 /nfs/dbraw/zinc/70/47/68/570704768.db2.gz MLWLBRJNQJIOPL-CWFSZBLJSA-N 0 0 383.517 4.468 40 0 GIABRN COCCn1c(C)c(C)c([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C ZINC000260781502 570705574 /nfs/dbraw/zinc/70/55/74/570705574.db2.gz SVNXKYFPMAQUBX-CAYVGHNUSA-N 0 0 384.549 4.044 40 0 GIABRN COc1ccc(C(=O)Oc2ccccc2/C=C2/N=C(c3ccccc3)OC2=O)cc1 ZINC000001082851 570712062 /nfs/dbraw/zinc/71/20/62/570712062.db2.gz WGDGHKYMTXBXPG-HMMYKYKNSA-N 0 0 399.402 4.259 40 0 GIABRN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)c1 ZINC000002445983 570720064 /nfs/dbraw/zinc/72/00/64/570720064.db2.gz RWESRFLZLGARQJ-UHFFFAOYSA-N 0 0 386.908 4.483 40 0 GIABRN Cc1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102731129 570720573 /nfs/dbraw/zinc/72/05/73/570720573.db2.gz HMGLOWXPANVKNZ-RJGXRXQPSA-N 0 0 398.462 4.042 40 0 GIABRN CCN(CC)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000003465681 570725065 /nfs/dbraw/zinc/72/50/65/570725065.db2.gz QEYAWOWTODYHCU-UHFFFAOYSA-N 0 0 384.480 4.034 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1Br ZINC000003581265 570725517 /nfs/dbraw/zinc/72/55/17/570725517.db2.gz PDPAIALXXDYRSA-UHFFFAOYSA-N 0 0 384.295 4.184 40 0 GIABRN O=C(COC(=O)c1ccccc1Cl)Nc1ccccc1C(=O)c1ccccc1 ZINC000005691988 570734531 /nfs/dbraw/zinc/73/45/31/570734531.db2.gz KNBPGJWXESWBNV-UHFFFAOYSA-N 0 0 393.826 4.367 40 0 GIABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCCC(C)C)ccc2C)c1 ZINC000006024040 570737099 /nfs/dbraw/zinc/73/70/99/570737099.db2.gz SPNWMAHQWLFQRL-UHFFFAOYSA-N 0 0 388.533 4.189 40 0 GIABRN COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000006169678 570738671 /nfs/dbraw/zinc/73/86/71/570738671.db2.gz YRRPQFMSHQSNFW-UHFFFAOYSA-N 0 0 375.833 4.081 40 0 GIABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2)ccc1C ZINC000006235043 570739966 /nfs/dbraw/zinc/73/99/66/570739966.db2.gz YOJGPAAXPNSBPQ-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2F)ccc1C ZINC000006553321 570747149 /nfs/dbraw/zinc/74/71/49/570747149.db2.gz OVDKFNXEEBWCFD-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cccc(OC)c2)cc1 ZINC000006630464 570748568 /nfs/dbraw/zinc/74/85/68/570748568.db2.gz JCDFGICHNDORGL-UHFFFAOYSA-N 0 0 390.439 4.114 40 0 GIABRN CCCN(CCC)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC ZINC000006654593 570748941 /nfs/dbraw/zinc/74/89/41/570748941.db2.gz VRJXQAYKCBMJSW-UHFFFAOYSA-N 0 0 380.945 4.359 40 0 GIABRN CCCCOc1ccc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000006778546 570749628 /nfs/dbraw/zinc/74/96/28/570749628.db2.gz ZELLBMXLXUCQTG-UHFFFAOYSA-N 0 0 386.561 4.439 40 0 GIABRN CCOc1ccc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000006845252 570752207 /nfs/dbraw/zinc/75/22/07/570752207.db2.gz LNXXFTZJOKGLBW-UHFFFAOYSA-N 0 0 392.952 4.312 40 0 GIABRN CC[C@@](Br)(C(=O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O ZINC000096518666 570754499 /nfs/dbraw/zinc/75/44/99/570754499.db2.gz VYENWXMIPBGARU-KRWDZBQOSA-N 0 0 381.291 4.082 40 0 GIABRN Clc1ccc(COc2ccc(Br)cc2CNn2cnnc2)cc1 ZINC000007602454 570760860 /nfs/dbraw/zinc/76/08/60/570760860.db2.gz NRJHVIDNMAVXQH-UHFFFAOYSA-N 0 0 393.672 4.017 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000007792188 570762343 /nfs/dbraw/zinc/76/23/43/570762343.db2.gz PBUAEYWJWSTEGA-UHFFFAOYSA-N 0 0 388.634 4.451 40 0 GIABRN Cc1nn2c(nnc(C(=O)Nc3ccc(C)cc3)c2C)c1-c1ccc(F)cc1 ZINC000013610766 570762612 /nfs/dbraw/zinc/76/26/12/570762612.db2.gz ACWIQENJSWIKRM-UHFFFAOYSA-N 0 0 375.407 4.108 40 0 GIABRN O=C([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](Cc3ncccn3)C2)cc1 ZINC000257221769 570763253 /nfs/dbraw/zinc/76/32/53/570763253.db2.gz DQKZWLBNWBMEOT-LJQANCHMSA-N 0 0 387.483 4.297 40 0 GIABRN Cc1noc(C)c1-c1ccc([C@H]2CCCN(C(=O)Cc3ccccc3F)C2)nc1 ZINC000257225958 570763661 /nfs/dbraw/zinc/76/36/61/570763661.db2.gz FIPCFAYCDJKRTQ-IBGZPJMESA-N 0 0 393.462 4.441 40 0 GIABRN CCc1nnc2sc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)nn12 ZINC000008071413 570764122 /nfs/dbraw/zinc/76/41/22/570764122.db2.gz FGZGUPCMQBJYPF-UHFFFAOYSA-N 0 0 383.864 4.321 40 0 GIABRN COc1cccc2c1OC1(CCN(Cc3nccs3)CC1)[C@H]1CCCO[C@H]21 ZINC000257227098 570764251 /nfs/dbraw/zinc/76/42/51/570764251.db2.gz FNQHOEHXGSZJEQ-QFBILLFUSA-N 0 0 386.517 4.047 40 0 GIABRN COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3scnc3C)o2)c1 ZINC000257230930 570764958 /nfs/dbraw/zinc/76/49/58/570764958.db2.gz GENHYXOMFSVLBT-GOSISDBHSA-N 0 0 397.500 4.406 40 0 GIABRN CCOc1ccc2ccccc2c1CNn1c(=S)[nH]nc1-c1ccncc1 ZINC000008325158 570767614 /nfs/dbraw/zinc/76/76/14/570767614.db2.gz NFZHLTGVPLPOQB-UHFFFAOYSA-N 0 0 377.473 4.298 40 0 GIABRN CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)c(OC)c4)OCC[C@@]31C2 ZINC000257242404 570768348 /nfs/dbraw/zinc/76/83/48/570768348.db2.gz ICHXYBKICVETCP-FUBVMCKASA-N 0 0 375.484 4.243 40 0 GIABRN Cc1cnc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)cn1 ZINC000257241739 570768432 /nfs/dbraw/zinc/76/84/32/570768432.db2.gz HZKWEBBTFLETBY-LJQANCHMSA-N 0 0 396.878 4.385 40 0 GIABRN Cc1ccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 ZINC000008478627 570769180 /nfs/dbraw/zinc/76/91/80/570769180.db2.gz RJRKVFQLWFWXCY-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN CC1(C)CC2(CO1)CCN(CC(=O)Nc1nc3ccc(Cl)cc3s1)CC2 ZINC000257251013 570769875 /nfs/dbraw/zinc/76/98/75/570769875.db2.gz JPAODABYJRUKQN-UHFFFAOYSA-N 0 0 393.940 4.169 40 0 GIABRN Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000008434102 570770079 /nfs/dbraw/zinc/77/00/79/570770079.db2.gz CYQSUAAOZKUPHT-IAGOWNOFSA-N 0 0 394.858 4.356 40 0 GIABRN Cc1c(NC(=O)Nc2ccccc2N2CCCCC2)nnn1-c1ccc(F)cc1 ZINC000257250843 570770156 /nfs/dbraw/zinc/77/01/56/570770156.db2.gz JOFUOHXWIXMDJC-UHFFFAOYSA-N 0 0 394.454 4.349 40 0 GIABRN COc1cc(CNn2cn[nH]c2=S)cc(Cl)c1OCc1ccccc1F ZINC000008470522 570770327 /nfs/dbraw/zinc/77/03/27/570770327.db2.gz UGIYAQOAXNESLN-UHFFFAOYSA-N 0 0 394.859 4.064 40 0 GIABRN CC(C)c1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)on1 ZINC000257253323 570770598 /nfs/dbraw/zinc/77/05/98/570770598.db2.gz JYLBVZRJJHFUOO-SFHVURJKSA-N 0 0 383.423 4.493 40 0 GIABRN Cc1nccc([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)n1 ZINC000257258478 570771437 /nfs/dbraw/zinc/77/14/37/570771437.db2.gz KUDMTEMNGPMHEM-MRXNPFEDSA-N 0 0 377.444 4.123 40 0 GIABRN CCc1nnc(Nc2cccc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)s1 ZINC000257260027 570771631 /nfs/dbraw/zinc/77/16/31/570771631.db2.gz LBAZFJUWFPWMLQ-MRXNPFEDSA-N 0 0 393.516 4.259 40 0 GIABRN Cc1cc(Nc2ncccc2C)cc([C@@H]2CN(C(=O)C3CCCCC3)CCO2)n1 ZINC000257265111 570772419 /nfs/dbraw/zinc/77/24/19/570772419.db2.gz LXJLSOLCIJAZHT-NRFANRHFSA-N 0 0 394.519 4.317 40 0 GIABRN CC(=O)N[C@]1(C)C[C@H](c2cccc(Oc3ncccn3)c2)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257267846 570773074 /nfs/dbraw/zinc/77/30/74/570773074.db2.gz MIZFYMREHYYYPN-LBZJANNGSA-N 0 0 395.503 4.430 40 0 GIABRN CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)c4ccccc4F)[C@@H]3C[C@H]21 ZINC000257267728 570773137 /nfs/dbraw/zinc/77/31/37/570773137.db2.gz MIODYUMGXJTTCY-DWIQEWEKSA-N 0 0 381.447 4.358 40 0 GIABRN O=C(c1ncccn1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257271745 570773402 /nfs/dbraw/zinc/77/34/02/570773402.db2.gz MZQHULVCWZNGPK-QGZVFWFLSA-N 0 0 382.851 4.076 40 0 GIABRN O=C(COc1ccccc1F)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257274902 570773817 /nfs/dbraw/zinc/77/38/17/570773817.db2.gz NNDRWLROCZZLKF-SFHVURJKSA-N 0 0 394.446 4.190 40 0 GIABRN Cc1c(C)n(C(=O)CSc2nnc3[nH]c4ccccc4n32)c2ccccc12 ZINC000009265825 570774469 /nfs/dbraw/zinc/77/44/69/570774469.db2.gz ZCELJDWKWBUJHW-UHFFFAOYSA-N 0 0 375.457 4.215 40 0 GIABRN COc1cccc(CC(=O)N2CCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)c1 ZINC000257279736 570774938 /nfs/dbraw/zinc/77/49/38/570774938.db2.gz OHYJATWIIFFCSX-NRFANRHFSA-N 0 0 394.446 4.319 40 0 GIABRN Cc1ccc(Cc2cc(C)nc([C@@H]3CN(C(=O)C4CCCC4)CCO3)c2)cc1 ZINC000257289448 570776534 /nfs/dbraw/zinc/77/65/34/570776534.db2.gz PYQNMIVFFHZSOJ-QHCPKHFHSA-N 0 0 378.516 4.379 40 0 GIABRN O=C(c1cncnc1)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257291199 570776926 /nfs/dbraw/zinc/77/69/26/570776926.db2.gz QGBROFVRFNHRHY-SFHVURJKSA-N 0 0 382.851 4.076 40 0 GIABRN CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccccc1)CN(C(=O)c1ccccc1)CCO2 ZINC000257293882 570777048 /nfs/dbraw/zinc/77/70/48/570777048.db2.gz QRPCSTXOOFZOLX-FIXSFTCYSA-N 0 0 379.500 4.332 40 0 GIABRN CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OC)c4O)OCC[C@@]31C2 ZINC000257294365 570777054 /nfs/dbraw/zinc/77/70/54/570777054.db2.gz QTUGDYXDFWLKBT-KGKWWCKXSA-N 0 0 387.520 4.200 40 0 GIABRN CNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)C2CCC2)CC1 ZINC000257299772 570778051 /nfs/dbraw/zinc/77/80/51/570778051.db2.gz RRNQLXOGUMNBLH-UHFFFAOYSA-N 0 0 390.527 4.051 40 0 GIABRN Cn1nccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257319289 570780802 /nfs/dbraw/zinc/78/08/02/570780802.db2.gz VRSYLXRHOHNQLF-KRWDZBQOSA-N 0 0 384.867 4.020 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3cccc(C)c3)cc2)cc1 ZINC000010112388 570782405 /nfs/dbraw/zinc/78/24/05/570782405.db2.gz IFKSILVVOFOWIK-UHFFFAOYSA-N 0 0 394.496 4.034 40 0 GIABRN COc1ccccc1CC(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257330093 570782496 /nfs/dbraw/zinc/78/24/96/570782496.db2.gz XMTMLXPZKJFOOM-HXUWFJFHSA-N 0 0 394.446 4.319 40 0 GIABRN Cc1cccc(-c2ccc(CC3(C(N)=O)CCN(C(=O)C4CCC4)CC3)cc2)c1 ZINC000257335129 570783578 /nfs/dbraw/zinc/78/35/78/570783578.db2.gz YIUKZSVGDTZLTP-UHFFFAOYSA-N 0 0 390.527 4.099 40 0 GIABRN Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)s1 ZINC000257339224 570783881 /nfs/dbraw/zinc/78/38/81/570783881.db2.gz ZAUCLZGSZIUJSM-GOSISDBHSA-N 0 0 399.491 4.384 40 0 GIABRN O=C([O-])c1cccc(C[N@@H+]2CCC[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)c1 ZINC000257341922 570784605 /nfs/dbraw/zinc/78/46/05/570784605.db2.gz ZMLOGTHWNWDLKG-IBGZPJMESA-N 0 0 394.446 4.482 40 0 GIABRN Cc1ccccc1-c1noc(CCC(=O)Nc2cccc(Br)c2)n1 ZINC000169890231 570786468 /nfs/dbraw/zinc/78/64/68/570786468.db2.gz SHPKQZHELWJTTI-UHFFFAOYSA-N 0 0 386.249 4.379 40 0 GIABRN Cc1cccc(C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010314632 570787810 /nfs/dbraw/zinc/78/78/10/570787810.db2.gz GISNWEFIIKOLJF-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN CC(C)(C)OC(=O)N1CCO[C@@H](c2cc3cccc(Br)n3c2)C1 ZINC000261507788 570789915 /nfs/dbraw/zinc/78/99/15/570789915.db2.gz MHIGDKKZERZGKZ-CQSZACIVSA-N 0 0 381.270 4.010 40 0 GIABRN CCOc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1OCC ZINC000010544001 570791915 /nfs/dbraw/zinc/79/19/15/570791915.db2.gz QWKRYAMTDGLHKT-AWEZNQCLSA-N 0 0 397.924 4.318 40 0 GIABRN O=C1[C@H]2[C@@H](C(=O)N1c1ccncc1)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000195405647 570842972 /nfs/dbraw/zinc/84/29/72/570842972.db2.gz IBXQASRNSVVFOE-CWBXHPNXSA-N 0 0 380.447 4.325 40 0 GIABRN CCC(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013628670 570861807 /nfs/dbraw/zinc/86/18/07/570861807.db2.gz XGGOKIFPHUCFCF-UHFFFAOYSA-N 0 0 383.517 4.459 40 0 GIABRN C[C@@H]1[C@H](c2ccc3c(c2)OCO3)c2cc3c(cc2O[C@@H]1N1CCCCC1)OCO3 ZINC000073312361 570884653 /nfs/dbraw/zinc/88/46/53/570884653.db2.gz BZKPASBEIZXLFA-AUDZJJNUSA-N 0 0 395.455 4.116 40 0 GIABRN CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCCC2)CC1 ZINC000257220772 570889887 /nfs/dbraw/zinc/88/98/87/570889887.db2.gz DMBRYQRGCICZOI-JTAQYXEDSA-N 0 0 385.552 4.152 40 0 GIABRN COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)Nc2c(C)n[nH]c2C)c1 ZINC000014404536 570890724 /nfs/dbraw/zinc/89/07/24/570890724.db2.gz FQMSDIXIWNVLAU-UHFFFAOYSA-N 0 0 398.850 4.193 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000014905959 570900039 /nfs/dbraw/zinc/90/00/39/570900039.db2.gz JLNHBTIUYUWCMD-UHFFFAOYSA-N 0 0 386.517 4.155 40 0 GIABRN CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3C[C@H]3CCOC3)cc2N1 ZINC000257283058 570902769 /nfs/dbraw/zinc/90/27/69/570902769.db2.gz OWPRLUNJDLJKOA-YALNPMBYSA-N 0 0 386.462 4.000 40 0 GIABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1 ZINC000017081740 570915875 /nfs/dbraw/zinc/91/58/75/570915875.db2.gz MRDRAYTYELRHFU-AWEZNQCLSA-N 0 0 399.516 4.051 40 0 GIABRN O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000188944475 570923249 /nfs/dbraw/zinc/92/32/49/570923249.db2.gz SEUXQFPAZWCFCG-UHFFFAOYSA-N 0 0 390.842 4.059 40 0 GIABRN Cc1ccc(C(=O)N2CCC[C@@]3(CCCN3c3ncnc4ccsc43)CC2)o1 ZINC000585100651 570925347 /nfs/dbraw/zinc/92/53/47/570925347.db2.gz RTTXRURCUHUYIO-OAQYLSRUSA-N 0 0 396.516 4.258 40 0 GIABRN O=C(c1ccsc1)N1CCC2(C[C@@H](C(=O)N3CCCC3)c3ccccc32)CC1 ZINC000585105641 570932661 /nfs/dbraw/zinc/93/26/61/570932661.db2.gz OLFXJDUVFMZGGY-LJQANCHMSA-N 0 0 394.540 4.032 40 0 GIABRN O=C(Nc1ccccc1)N1CCC[C@]2(CN(Cc3cccs3)CCO2)CC1 ZINC000306128904 570938554 /nfs/dbraw/zinc/93/85/54/570938554.db2.gz HNZJGVAZABDGQR-OAQYLSRUSA-N 0 0 385.533 4.037 40 0 GIABRN COc1ccc(N[C@H]2CCCn3c2cnc3C(=O)Nc2cccc(F)c2)cc1 ZINC000306129691 570938613 /nfs/dbraw/zinc/93/86/13/570938613.db2.gz IKFFZBYCOVAFNF-SFHVURJKSA-N 0 0 380.423 4.230 40 0 GIABRN Cc1cccc(C(=O)N2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306131604 570939901 /nfs/dbraw/zinc/93/99/01/570939901.db2.gz KJSZVKYDUOSNIS-OAQYLSRUSA-N 0 0 397.482 4.120 40 0 GIABRN Cc1nn(Cc2cccc3ccccc32)c(C)c1N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000036612977 570942985 /nfs/dbraw/zinc/94/29/85/570942985.db2.gz VJIGQRABEQJKCK-VVIORFSUSA-N 0 0 397.478 4.013 40 0 GIABRN O=C(Cn1ccc(=O)c2ccccc21)Nc1ccc(OCc2ccccc2)cc1 ZINC000194988585 570945430 /nfs/dbraw/zinc/94/54/30/570945430.db2.gz BFWBWRKAQHHEFR-UHFFFAOYSA-N 0 0 384.435 4.219 40 0 GIABRN C[C@H]1N=C(c2ccc(I)cc2)[C@@H]2[C@@H](c3ccc(F)cc3)N21 ZINC000020601916 570951674 /nfs/dbraw/zinc/95/16/74/570951674.db2.gz HLGXDODNHZTHQC-CBQOQXHLSA-N 0 0 392.215 4.005 40 0 GIABRN Cc1cc(-c2cnc(C3CCN(C(=O)C4CCCC4)CC3)nc2C(C)C)on1 ZINC000019121614 570957433 /nfs/dbraw/zinc/95/74/33/570957433.db2.gz CSTULLFFXPAVPT-UHFFFAOYSA-N 0 0 382.508 4.460 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@H]2CCCCN2C(=O)Cc2cccc(F)c2)on1 ZINC000019121864 570957583 /nfs/dbraw/zinc/95/75/83/570957583.db2.gz WSAOMDLOHBNUQN-LJQANCHMSA-N 0 0 394.450 4.184 40 0 GIABRN Cc1ccc(C2(CNC(=O)CCc3cn(C)c4ccccc34)CCOCC2)cc1 ZINC000019208669 570959888 /nfs/dbraw/zinc/95/98/88/570959888.db2.gz YLFCNMDBVBDEGA-UHFFFAOYSA-N 0 0 390.527 4.284 40 0 GIABRN Cc1ccc(CN(Cc2ccncc2)Cc2cnc(N3CCCCC3)nc2)cc1 ZINC000019210190 570960490 /nfs/dbraw/zinc/96/04/90/570960490.db2.gz DDPHRGKUUDKICJ-UHFFFAOYSA-N 0 0 387.531 4.373 40 0 GIABRN Cc1ccc([C@@H](Cc2ccsc2)NCc2cnn3c2nc(C)cc3C)nc1 ZINC000019215650 570961735 /nfs/dbraw/zinc/96/17/35/570961735.db2.gz XIAXWZDTRLMRJY-HXUWFJFHSA-N 0 0 377.517 4.185 40 0 GIABRN Cc1ccc(-c2nnc(CNC(=O)C3(c4ccc(F)cc4)CCCC3)o2)s1 ZINC000019217886 570962403 /nfs/dbraw/zinc/96/24/03/570962403.db2.gz HMTQNWZQZJEVGZ-UHFFFAOYSA-N 0 0 385.464 4.374 40 0 GIABRN COC[C@H](C)N(Cc1cccc(C)c1)C(=O)c1sc(-c2ccccn2)nc1C ZINC000019234899 570965618 /nfs/dbraw/zinc/96/56/18/570965618.db2.gz SUHIZJCDGBIUGN-INIZCTEOSA-N 0 0 395.528 4.499 40 0 GIABRN Cc1cccnc1CN(Cc1ccccc1)C(=O)c1ccccc1Cn1ccnc1 ZINC000019237776 570967237 /nfs/dbraw/zinc/96/72/37/570967237.db2.gz QRYUNXZNGOGXRR-UHFFFAOYSA-N 0 0 396.494 4.477 40 0 GIABRN Cc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2cc(C(C)C)no2)n1 ZINC000019286797 570969999 /nfs/dbraw/zinc/96/99/99/570969999.db2.gz GTFGDWWGXKNIFI-IBGZPJMESA-N 0 0 391.475 4.326 40 0 GIABRN Cn1c(=O)cc(Oc2ccc(F)cc2)c2cc(NC(=O)c3ccncc3)ccc21 ZINC000019289708 570971476 /nfs/dbraw/zinc/97/14/76/570971476.db2.gz XGFUPALILFYSJM-UHFFFAOYSA-N 0 0 389.386 4.117 40 0 GIABRN COc1cccc(CNc2ncc(-c3ccc(F)cc3)c(-c3nccn3C)n2)c1 ZINC000019291710 570972410 /nfs/dbraw/zinc/97/24/10/570972410.db2.gz RTEZYQKUUZBAEL-UHFFFAOYSA-N 0 0 389.434 4.304 40 0 GIABRN O=C(c1cc(C(F)(F)F)n[nH]1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000019343113 570977072 /nfs/dbraw/zinc/97/70/72/570977072.db2.gz OAEWDCXMKGBKGZ-AWEZNQCLSA-N 0 0 383.420 4.339 40 0 GIABRN O=C(N1CCC(c2noc3cc(F)ccc32)CC1)C12C[C@H]3C[C@H](CC(O)(C3)C1)C2 ZINC000019346138 570978293 /nfs/dbraw/zinc/97/82/93/570978293.db2.gz NYAYMZLLEDXRON-CBKSTNSXSA-N 0 0 398.478 4.004 40 0 GIABRN O=C(c1cc(-c2ccc(F)cc2)on1)N1CCC(Oc2ccccc2F)CC1 ZINC000019350140 570979218 /nfs/dbraw/zinc/97/92/18/570979218.db2.gz FYRBECKMUIMUMY-UHFFFAOYSA-N 0 0 384.382 4.303 40 0 GIABRN COCCC(=O)N1CCC(c2noc3nc(C(C)C)cc(C(F)(F)F)c32)CC1 ZINC000019452125 570985588 /nfs/dbraw/zinc/98/55/88/570985588.db2.gz HYLUBFFDKGWYLG-UHFFFAOYSA-N 0 0 399.413 4.108 40 0 GIABRN COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccc(C(C)=O)cc1)C2=O ZINC000001268596 570987482 /nfs/dbraw/zinc/98/74/82/570987482.db2.gz ADLRJVZHUULYAP-UHFFFAOYSA-N 0 0 387.391 4.491 40 0 GIABRN COc1ccc(Cc2nc(-c3ccc(NC(=O)c4ccco4)cc3)no2)cc1 ZINC000002930848 570989465 /nfs/dbraw/zinc/98/94/65/570989465.db2.gz FLSLNURIOLGJAQ-UHFFFAOYSA-N 0 0 375.384 4.181 40 0 GIABRN C[C@@H]1Cc2cc(CC(=O)N3CCC[C@@H](COc4ccc(F)cc4)C3)ccc2O1 ZINC000019498073 570990541 /nfs/dbraw/zinc/99/05/41/570990541.db2.gz LGXCMEYFMBHVIO-SJLPKXTDSA-N 0 0 383.463 4.009 40 0 GIABRN CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)CC)C1 ZINC000019498664 570991222 /nfs/dbraw/zinc/99/12/22/570991222.db2.gz PDYWQXTVWKSDRF-DEOSSOPVSA-N 0 0 378.516 4.051 40 0 GIABRN CCC(CC)C(=O)N1CC[C@@](Cc2ccccc2-c2cccs2)(C(=O)NC)C1 ZINC000019500063 570992137 /nfs/dbraw/zinc/99/21/37/570992137.db2.gz FZABDOBNGYBUKY-QHCPKHFHSA-N 0 0 398.572 4.359 40 0 GIABRN CCc1c2cc(F)ccc2[nH]c1C(=O)N1CCC(O)(c2cccc(C)c2)CC1 ZINC000019521919 570994791 /nfs/dbraw/zinc/99/47/91/570994791.db2.gz HEJDXZYLSAAJMT-UHFFFAOYSA-N 0 0 380.463 4.302 40 0 GIABRN CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3Cc3ccncc3C)cc2n1 ZINC000019522351 570994900 /nfs/dbraw/zinc/99/49/00/570994900.db2.gz VUULFGVJQIDBQS-KRWDZBQOSA-N 0 0 389.425 4.351 40 0 GIABRN CCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CCC2)C1 ZINC000019528836 570998176 /nfs/dbraw/zinc/99/81/76/570998176.db2.gz OPKITHAEXSJRJC-RUZDIDTESA-N 0 0 390.527 4.051 40 0 GIABRN COc1cccc([C@@H](NC(=O)[C@H](C)Cn2nc(C)c(C)c2C)c2ccccc2)c1 ZINC000019556907 571004054 /nfs/dbraw/zinc/00/40/54/571004054.db2.gz RFJKVONVOHQSOL-MWTRTKDXSA-N 0 0 391.515 4.359 40 0 GIABRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@]3(C)C2=O)cc1 ZINC000004899155 571004549 /nfs/dbraw/zinc/00/45/49/571004549.db2.gz XAMAGBJBSKQBOE-SGIRGMQISA-N 0 0 398.462 4.436 40 0 GIABRN Cc1nn(-c2ccccc2)c2nc3c(cc12)CN(Cc1cccc(F)c1)C(=O)O3 ZINC000019565720 571007723 /nfs/dbraw/zinc/00/77/23/571007723.db2.gz JUGJJLDFVYUCGJ-UHFFFAOYSA-N 0 0 388.402 4.383 40 0 GIABRN COc1cc(C)c(CN2CCc3nc([C@H]4CCCCN4C)ncc3C2)c(C)c1C ZINC000019566950 571008174 /nfs/dbraw/zinc/00/81/74/571008174.db2.gz BVBVSGRSPOITHB-JOCHJYFZSA-N 0 0 394.563 4.126 40 0 GIABRN Cc1csc([C@H](Cc2ccsc2)NC(=O)CCCn2nc(C)cc2C)n1 ZINC000019574158 571011249 /nfs/dbraw/zinc/01/12/49/571011249.db2.gz MJTWKGHLFGYYLN-KRWDZBQOSA-N 0 0 388.562 4.207 40 0 GIABRN Cc1nn(CCC(=O)Nc2ccccc2OC[C@@H]2CCCCO2)c(C)c1Cl ZINC000019578254 571012155 /nfs/dbraw/zinc/01/21/55/571012155.db2.gz ROIXGTYSVNZKMZ-INIZCTEOSA-N 0 0 391.899 4.130 40 0 GIABRN CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CCCC2)C1 ZINC000019591394 571018687 /nfs/dbraw/zinc/01/86/87/571018687.db2.gz MULCDAYHMKGOFU-RUZDIDTESA-N 0 0 390.527 4.051 40 0 GIABRN CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)C2CCC2)C1 ZINC000019591040 571018692 /nfs/dbraw/zinc/01/86/92/571018692.db2.gz LRMYTEJXFLTWME-HSZRJFAPSA-N 0 0 396.556 4.113 40 0 GIABRN CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccccc2)C1 ZINC000019591592 571019291 /nfs/dbraw/zinc/01/92/91/571019291.db2.gz FTECGSYSIJDGQX-AREMUKBSSA-N 0 0 398.506 4.175 40 0 GIABRN COc1ccc(-n2nc(C)cc2NC(=O)c2cc(-c3ccc(F)cc3)no2)cc1 ZINC000019655976 571023333 /nfs/dbraw/zinc/02/33/33/571023333.db2.gz VNHJXJIYGBGVGT-UHFFFAOYSA-N 0 0 392.390 4.236 40 0 GIABRN Cc1nc(C)n([C@H](C)CC(=O)Nc2ccc3c(c2)CN(Cc2ccccc2)C3)n1 ZINC000019657154 571023960 /nfs/dbraw/zinc/02/39/60/571023960.db2.gz BTFKMBBJKDFCBO-MRXNPFEDSA-N 0 0 389.503 4.001 40 0 GIABRN Cc1[nH]c2c(c1CC(=O)Nc1nc(-c3cnn(C)c3C)cs1)c(C)ccc2C ZINC000019660826 571025741 /nfs/dbraw/zinc/02/57/41/571025741.db2.gz GDXMLZUTZPACIQ-UHFFFAOYSA-N 0 0 393.516 4.440 40 0 GIABRN COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2cc(C)c3ccccc3n2)cc1 ZINC000019660818 571025812 /nfs/dbraw/zinc/02/58/12/571025812.db2.gz OMFCZSIVAHENNH-HSZRJFAPSA-N 0 0 398.466 4.063 40 0 GIABRN CC(C)(C)c1csc(CCNC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)n1 ZINC000019662332 571026164 /nfs/dbraw/zinc/02/61/64/571026164.db2.gz LCXFLPUBLHDZOE-UHFFFAOYSA-N 0 0 396.438 4.308 40 0 GIABRN Cn1c(CCC(=O)Nc2nc(-c3ccccn3)cs2)nc2cc(Cl)ccc21 ZINC000019663188 571026444 /nfs/dbraw/zinc/02/64/44/571026444.db2.gz OCRGDRRKIKNEBQ-UHFFFAOYSA-N 0 0 397.891 4.317 40 0 GIABRN Cc1nn(C)cc1-c1cc(C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)n[nH]1 ZINC000019665415 571027328 /nfs/dbraw/zinc/02/73/28/571027328.db2.gz PYCWRQPVMBPROL-UHFFFAOYSA-N 0 0 391.406 4.302 40 0 GIABRN COc1cccc(Cc2cc(C)nc([C@@H]3CCCN3Cc3ccnn3C)c2)c1 ZINC000019691989 571029557 /nfs/dbraw/zinc/02/95/57/571029557.db2.gz AQCYHONDNVGZDR-QHCPKHFHSA-N 0 0 376.504 4.060 40 0 GIABRN Fc1ccc(OCCc2cc([C@@H]3CCCN3Cc3ccccn3)[nH]n2)cc1F ZINC000019703689 571031434 /nfs/dbraw/zinc/03/14/34/571031434.db2.gz BZFZZLXOOZQTSP-NRFANRHFSA-N 0 0 384.430 4.042 40 0 GIABRN CN(C)Cc1cc([C@@H]2CCCN2C(=O)c2ccccc2-c2ccccc2)nn1C ZINC000019709071 571033527 /nfs/dbraw/zinc/03/35/27/571033527.db2.gz JMGFJZKXZPSNOS-QHCPKHFHSA-N 0 0 388.515 4.126 40 0 GIABRN Cc1c(NC(=O)c2nc3cc(Cl)ccc3n2C)cccc1C(=O)N1CCCC1 ZINC000019714268 571035945 /nfs/dbraw/zinc/03/59/45/571035945.db2.gz JKKBSLRSEXXQHQ-UHFFFAOYSA-N 0 0 396.878 4.023 40 0 GIABRN Cc1cc(C(F)F)n2ncc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)c2n1 ZINC000019714912 571036946 /nfs/dbraw/zinc/03/69/46/571036946.db2.gz ZSAIDQXJPKIBDD-CQSZACIVSA-N 0 0 386.402 4.008 40 0 GIABRN O=C(Nc1cnn(Cc2ccccc2F)c1)c1cc(-c2cccc(F)c2)no1 ZINC000019718200 571041289 /nfs/dbraw/zinc/04/12/89/571041289.db2.gz UOHSMZNQYBTQOR-UHFFFAOYSA-N 0 0 380.354 4.117 40 0 GIABRN O=C(c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CCCC1 ZINC000002475886 817391252 /nfs/dbraw/zinc/39/12/52/817391252.db2.gz XECRKJZXEWDTLZ-GXSJLCMTSA-N 0 0 388.777 4.026 40 0 GIABRN O=C1NC(=O)[C@H](Cc2ccc3cc(OCc4ccccc4F)ccc3c2)S1 ZINC000003633833 817493726 /nfs/dbraw/zinc/49/37/26/817493726.db2.gz PKWDZWYVIHVNKS-IBGZPJMESA-N 0 0 381.428 4.452 40 0 investigational GIABRN C[C@]12C[C@H](NC(=O)N1c1cccc(C(=O)NC3CCCC3)c1)c1ccccc1O2 ZINC000004969272 817544147 /nfs/dbraw/zinc/54/41/47/817544147.db2.gz AAHQAAWCQRVIKP-CVDCTZTESA-N 0 0 391.471 4.129 40 0 GIABRN COc1cccc(C(=S)N2CCOCC2)c1OCc1c(F)cccc1Cl ZINC000005746312 817614683 /nfs/dbraw/zinc/61/46/83/817614683.db2.gz YQNJFKSIBWASII-UHFFFAOYSA-N 0 0 395.883 4.074 40 0 GIABRN COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000006440995 817692501 /nfs/dbraw/zinc/69/25/01/817692501.db2.gz GZXGFEUTZJYWCH-UHFFFAOYSA-N 0 0 394.663 4.234 40 0 GIABRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2cccc(C)c2)C1=O ZINC000006478712 817697223 /nfs/dbraw/zinc/69/72/23/817697223.db2.gz WAWSFIZQGXITDE-LICLKQGHSA-N 0 0 384.413 4.148 40 0 GIABRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)c1C ZINC000006479081 817697242 /nfs/dbraw/zinc/69/72/42/817697242.db2.gz CKAVVJIHYUDSHT-LICLKQGHSA-N 0 0 384.432 4.118 40 0 GIABRN CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(O[C@H](C)CC)cc2)C1=O ZINC000006650168 817715791 /nfs/dbraw/zinc/71/57/91/817715791.db2.gz LHZZBGIJMVMXCU-MTOJCTJASA-N 0 0 391.489 4.244 40 0 GIABRN C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CCC)C2=O)cc1OCC ZINC000006654976 817716291 /nfs/dbraw/zinc/71/62/91/817716291.db2.gz TUPKOWYFHKCVLL-RVDMUPIBSA-N 0 0 379.865 4.197 40 0 GIABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCC)cc1OCC ZINC000006656684 817716368 /nfs/dbraw/zinc/71/63/68/817716368.db2.gz MXCCNPOASMXCNY-SFHVURJKSA-N 0 0 388.489 4.252 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)cc1O ZINC000006957389 817729056 /nfs/dbraw/zinc/72/90/56/817729056.db2.gz RQBHZMQUXJMWLA-UHFFFAOYSA-N 0 0 395.411 4.302 40 0 GIABRN O=C(Nc1cccc(I)c1)c1ccc(N2CCCC2)cc1 ZINC000007382899 817828432 /nfs/dbraw/zinc/82/84/32/817828432.db2.gz RDFFQFJWZNJKAQ-UHFFFAOYSA-N 0 0 392.240 4.144 40 0 GIABRN CSc1nc2sc(C(=O)Nc3cccc(F)c3)cc2c(N2CCCC2)n1 ZINC000007604254 817877987 /nfs/dbraw/zinc/87/79/87/817877987.db2.gz VSERQANPXQXATP-UHFFFAOYSA-N 0 0 388.493 4.405 40 0 GIABRN CCCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000007881821 817949454 /nfs/dbraw/zinc/94/94/54/817949454.db2.gz JSVZVOGWYUUZCV-GOSISDBHSA-N 0 0 394.471 4.025 40 0 GIABRN CC[C@H](OC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1)C(=O)c1ccccc1 ZINC000007881465 817949599 /nfs/dbraw/zinc/94/95/99/817949599.db2.gz UHDMWFGYSROWNM-LPHOPBHVSA-N 0 0 399.874 4.206 40 0 GIABRN CCc1ccc(NC(=O)Cn2nc(COc3cccc(C)c3)oc2=S)cc1 ZINC000008086214 817997217 /nfs/dbraw/zinc/99/72/17/817997217.db2.gz DNXFZZJBAQTYNP-UHFFFAOYSA-N 0 0 383.473 4.294 40 0 GIABRN COc1c(Cl)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1Br ZINC000008106391 818001453 /nfs/dbraw/zinc/00/14/53/818001453.db2.gz BKAHDNDUVOLILM-WDZFZDKYSA-N 0 0 383.673 4.077 40 0 GIABRN COc1ccc(C[C@H]2SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC ZINC000008164816 818010041 /nfs/dbraw/zinc/01/00/41/818010041.db2.gz PKZQLBRREHAATN-QGZVFWFLSA-N 0 0 391.876 4.164 40 0 GIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)C[C@@H](C)n2ccnc2C)cc1 ZINC000019287649 818589858 /nfs/dbraw/zinc/58/98/58/818589858.db2.gz OBTLZZMYKIUSHR-SMBILWQOSA-N 0 0 381.520 4.240 40 0 GIABRN CCc1nnsc1C(=O)N1CCC[C@H]1c1cc(-c2ccccc2)cc(C)n1 ZINC000019690574 818598770 /nfs/dbraw/zinc/59/87/70/818598770.db2.gz PKJHXUZFUNVSCD-IBGZPJMESA-N 0 0 378.501 4.448 40 0 GIABRN Cc1nnc2n1C[C@H](c1cccc(NC(=O)C(C)(C)c3cccc(F)c3)c1)CC2 ZINC000019698179 818600046 /nfs/dbraw/zinc/60/00/46/818600046.db2.gz UCZPXUZMPCYJHH-QGZVFWFLSA-N 0 0 392.478 4.372 40 0 GIABRN CCN(C(=O)c1cc2cc(OC)ccc2o1)[C@@H]1CN(C(C)=O)C2(C1)CCCCC2 ZINC000019704189 818600778 /nfs/dbraw/zinc/60/07/78/818600778.db2.gz ZWUUOADTYWQKEZ-SFHVURJKSA-N 0 0 398.503 4.227 40 0 GIABRN Cc1[nH]c2cccc(C(=O)N3CCC[C@@](C)(C(=O)NC4CCCC4)C3)c2c1C ZINC000019746678 818604869 /nfs/dbraw/zinc/60/48/69/818604869.db2.gz MHGUWOKSHCOIPZ-HSZRJFAPSA-N 0 0 381.520 4.086 40 0 GIABRN O=C(CSCc1ccccc1Br)Nc1ccc2c(c1)OCCO2 ZINC000022700249 818847513 /nfs/dbraw/zinc/84/75/13/818847513.db2.gz UXCTXDPJSRSCTA-UHFFFAOYSA-N 0 0 394.290 4.092 40 0 GIABRN O=C(CSc1noc(-c2cccc(Br)c2)n1)c1ccccc1 ZINC000028526991 820343793 /nfs/dbraw/zinc/34/37/93/820343793.db2.gz ODNXIYFMZXNZKT-UHFFFAOYSA-N 0 0 375.247 4.474 40 0 GIABRN O=C(Nc1ccccc1)N(Cc1nc2n(n1)CCCCC2)c1ccc(F)cc1 ZINC000028527649 820343909 /nfs/dbraw/zinc/34/39/09/820343909.db2.gz RHSDPXVXWSEEAO-UHFFFAOYSA-N 0 0 379.439 4.382 40 0 GIABRN Cc1cc(C)nc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)n1 ZINC000033623550 821058144 /nfs/dbraw/zinc/05/81/44/821058144.db2.gz BQAZREFVKVYPIF-UHFFFAOYSA-N 0 0 380.473 4.097 40 0 GIABRN CCOc1cc(C(=S)N2CCOCC2)ccc1OCc1cccc(Cl)c1 ZINC000033782961 821060507 /nfs/dbraw/zinc/06/05/07/821060507.db2.gz ZJMNSNKVQBYBMJ-UHFFFAOYSA-N 0 0 391.920 4.325 40 0 GIABRN COc1ccccc1C=C1SC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O ZINC000034690495 821061912 /nfs/dbraw/zinc/06/19/12/821061912.db2.gz CGRLEQKLBHOPLJ-YVLHZVERSA-N 0 0 387.844 4.268 40 0 GIABRN COc1ccc(/C=C/C(=O)Nc2ccc(I)cc2C)cc1 ZINC000036872292 821088337 /nfs/dbraw/zinc/08/83/37/821088337.db2.gz IEDAXZHBRALEJX-BJMVGYQFSA-N 0 0 393.224 4.260 40 0 GIABRN CCc1cccc2c(/C=C3\NC(=S)N(C)C3=O)cn(Cc3ccc(F)cc3)c21 ZINC000039556340 821114256 /nfs/dbraw/zinc/11/42/56/821114256.db2.gz HWHAIFTYLOCZEE-ODLFYWEKSA-N 0 0 393.487 4.079 40 0 GIABRN CCc1cccc2c(/C=C3\NC(=S)N(C)C3=O)cn(Cc3ccccc3F)c21 ZINC000039556491 821114735 /nfs/dbraw/zinc/11/47/35/821114735.db2.gz WSZLLDCHZAGFRH-ODLFYWEKSA-N 0 0 393.487 4.079 40 0 GIABRN COc1ccc(NC(=S)Nc2cccc(I)c2)cc1 ZINC000047807139 822611153 /nfs/dbraw/zinc/61/11/53/822611153.db2.gz WSSLBSDMQSDZFD-UHFFFAOYSA-N 0 0 384.242 4.109 40 0 GIABRN O=C(NCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000052839050 822812578 /nfs/dbraw/zinc/81/25/78/822812578.db2.gz LNUTUDMPHXDHLQ-UHFFFAOYSA-N 0 0 378.859 4.227 40 0 GIABRN COC(=O)Cc1csc(NC(=O)/C=C/c2cccc(Oc3ccccc3)c2)n1 ZINC000062715479 823645102 /nfs/dbraw/zinc/64/51/02/823645102.db2.gz KYAPDXUUGULSRQ-ZHACJKMWSA-N 0 0 394.452 4.303 40 0 GIABRN Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2Cl)ccc1N1CCCC1=O ZINC000216475737 222577982 /nfs/dbraw/zinc/57/79/82/222577982.db2.gz SJNZLWVSHITESH-UHFFFAOYSA-N 0 0 399.299 4.229 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c(C)c1 ZINC000218923533 222590413 /nfs/dbraw/zinc/59/04/13/222590413.db2.gz GCWKCYARFBZHTG-UHFFFAOYSA-N 0 0 375.852 4.459 40 0 GIABRN CCOc1ccc(CNC(=O)COc2ccc(Cl)c(C)c2)cc1OCC ZINC000218938060 222590609 /nfs/dbraw/zinc/59/06/09/222590609.db2.gz GQOLSMQUDSDVSQ-UHFFFAOYSA-N 0 0 377.868 4.141 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccccc3Cl)n2)cc1 ZINC000219062854 222592339 /nfs/dbraw/zinc/59/23/39/222592339.db2.gz XTEFBEFWIQKOPZ-CQSZACIVSA-N 0 0 385.851 4.124 40 0 GIABRN Cc1ccc(C)c(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000219077835 222592526 /nfs/dbraw/zinc/59/25/26/222592526.db2.gz ISBHSJOHYOKSIX-HNNXBMFYSA-N 0 0 399.878 4.433 40 0 GIABRN CCOc1ccc(CCC(=O)N[C@@H](C)COc2ccccc2C)cc1OCC ZINC000219278996 222592927 /nfs/dbraw/zinc/59/29/27/222592927.db2.gz ULDNQLUNVKBGEG-SFHVURJKSA-N 0 0 385.504 4.309 40 0 GIABRN O=C(NCCSCc1ccccc1Cl)c1ccc(N2CCCC2=O)cc1 ZINC000219197861 222593567 /nfs/dbraw/zinc/59/35/67/222593567.db2.gz OLXFOHHVYAVNCX-UHFFFAOYSA-N 0 0 388.920 4.130 40 0 GIABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000219334204 222594344 /nfs/dbraw/zinc/59/43/44/222594344.db2.gz MUURRMYUSHRQLY-LJQANCHMSA-N 0 0 379.460 4.169 40 0 GIABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000219334366 222594757 /nfs/dbraw/zinc/59/47/57/222594757.db2.gz BTELUUWXDPVIQH-HXUWFJFHSA-N 0 0 393.487 4.478 40 0 GIABRN COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1C)CC(C)(C)O2 ZINC000219534410 222596343 /nfs/dbraw/zinc/59/63/43/222596343.db2.gz CJSYLOFEXNJXAA-VQIMIIECSA-N 0 0 383.488 4.498 40 0 GIABRN O=C(CCc1ccccc1Cl)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000220020767 222598429 /nfs/dbraw/zinc/59/84/29/222598429.db2.gz PSQLKGQCXZSAGU-UHFFFAOYSA-N 0 0 376.243 4.292 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000222555407 222609180 /nfs/dbraw/zinc/60/91/80/222609180.db2.gz QQOFJKODLSTLTR-FQEVSTJZSA-N 0 0 386.923 4.215 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1C ZINC000222526743 222609375 /nfs/dbraw/zinc/60/93/75/222609375.db2.gz AXQBZUOBNBJKBW-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccc(C)cc3C)s2)cc1 ZINC000222594641 222610304 /nfs/dbraw/zinc/61/03/04/222610304.db2.gz CFJRABIRYFXVTP-CQSZACIVSA-N 0 0 383.473 4.237 40 0 GIABRN COCCn1c(C)c(C)c([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C ZINC000222637980 222610540 /nfs/dbraw/zinc/61/05/40/222610540.db2.gz SVNXKYFPMAQUBX-MRFFXTKBSA-N 0 0 384.549 4.044 40 0 GIABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)nc1 ZINC000222591875 222610572 /nfs/dbraw/zinc/61/05/72/222610572.db2.gz FYBOVJHZYROGGX-RYGJVYDSSA-N 0 0 375.501 4.165 40 0 GIABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3Cc3ccncc3)N21 ZINC000222686103 222612032 /nfs/dbraw/zinc/61/20/32/222612032.db2.gz UIXMXUABUPZMET-IOMROCGXSA-N 0 0 389.528 4.306 40 0 GIABRN Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1C ZINC000013992417 230886698 /nfs/dbraw/zinc/88/66/98/230886698.db2.gz HAMCAOVHRFCFST-UHFFFAOYSA-N 0 0 380.488 4.383 40 0 GIABRN Cc1ccc(C)c(NC(=O)CSc2nnc(COc3ccccc3C)n2C)c1 ZINC000014121162 230887284 /nfs/dbraw/zinc/88/72/84/230887284.db2.gz RYIDBZDCKPEFRT-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(C)C)C1=O ZINC000408600970 529376101 /nfs/dbraw/zinc/37/61/01/529376101.db2.gz HXPHUKIEKHAHTB-NGWPFTMJSA-N 0 0 391.489 4.099 40 0 GIABRN COc1cc(C)c(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1C ZINC000222764447 222614204 /nfs/dbraw/zinc/61/42/04/222614204.db2.gz GDTMGZXQWOVANP-QGZVFWFLSA-N 0 0 389.517 4.201 40 0 GIABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccnc1 ZINC000222819206 222615399 /nfs/dbraw/zinc/61/53/99/222615399.db2.gz BXSIHJWNWWNDQR-RTWAWAEBSA-N 0 0 391.544 4.265 40 0 GIABRN CCCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000222918512 222617939 /nfs/dbraw/zinc/61/79/39/222617939.db2.gz YNUVSPCQKSQDOK-SFHVURJKSA-N 0 0 384.495 4.092 40 0 GIABRN Cc1ccccc1CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(C)(C)C ZINC000222903552 222618115 /nfs/dbraw/zinc/61/81/15/222618115.db2.gz RAULDAJBKQDDRY-KRWDZBQOSA-N 0 0 384.495 4.009 40 0 GIABRN O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c(Cl)c2)C1=O)N1CCCCC1 ZINC000106762984 231019449 /nfs/dbraw/zinc/01/94/49/231019449.db2.gz QYSNYVGZNQNXNR-ZROIWOOFSA-N 0 0 399.299 4.042 40 0 GIABRN CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(C)ccc1OC ZINC000409004092 529399771 /nfs/dbraw/zinc/39/97/71/529399771.db2.gz WNMSGDSQHCIBLT-OXQOHEQNSA-N 0 0 384.476 4.283 40 0 GIABRN Cc1cc(S(=O)(=O)N[C@H](C)c2ccccc2)ccc1NC(=O)c1ccccc1 ZINC000408613238 231080321 /nfs/dbraw/zinc/08/03/21/231080321.db2.gz ZWEBJQFYTQPWTL-QGZVFWFLSA-N 0 0 394.496 4.287 40 0 GIABRN Cc1ccc(Cl)cc1NC(=O)CNC(=O)c1ccc(COc2ccccc2)o1 ZINC000408560164 231060841 /nfs/dbraw/zinc/06/08/41/231060841.db2.gz CIBKSLFLDSNTTD-UHFFFAOYSA-N 0 0 398.846 4.189 40 0 GIABRN Cc1ccc(C(=O)N2N=C3CCCCC[C@@H]3[C@@H]2[C@H](O)C(F)(F)F)c(Cl)c1 ZINC000408562788 231063449 /nfs/dbraw/zinc/06/34/49/231063449.db2.gz CFVGYSKRUDBMNY-MAZHCROVSA-N 0 0 388.817 4.332 40 0 GIABRN Cc1ccc(CC(=O)N2NC(C(C)(C)C)=C[C@@]2(O)C(F)(F)F)c(Cl)c1 ZINC000408564292 231064403 /nfs/dbraw/zinc/06/44/03/231064403.db2.gz XZMMQLVGLGRTMV-MRXNPFEDSA-N 0 0 376.806 4.076 40 0 GIABRN Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(OC(C)C)cc3)nn12 ZINC000408571730 231065172 /nfs/dbraw/zinc/06/51/72/231065172.db2.gz DQDYQYXIQMARHJ-UHFFFAOYSA-N 0 0 393.472 4.201 40 0 GIABRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCc1ccc(Cl)cc1 ZINC000222938733 222619335 /nfs/dbraw/zinc/61/93/35/222619335.db2.gz XOUJYVYBVSBVBV-MOSHPQCFSA-N 0 0 394.858 4.329 40 0 GIABRN Cc1ccc(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c(C)c1 ZINC000408706237 231100505 /nfs/dbraw/zinc/10/05/05/231100505.db2.gz YIBLCMLEFPHKHX-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN O=C(NCc1cccc(Cl)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408707793 231101264 /nfs/dbraw/zinc/10/12/64/231101264.db2.gz LZHHMRRSMLNUOX-LBPRGKRZSA-N 0 0 397.689 4.316 40 0 GIABRN O=C(Nc1ccc2ccccc2c1)c1ccc(OC(=S)N2CCOCC2)cc1 ZINC000408721269 231104599 /nfs/dbraw/zinc/10/45/99/231104599.db2.gz GAJIUJVTFOCZBT-UHFFFAOYSA-N 0 0 392.480 4.088 40 0 GIABRN O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccco1 ZINC000408628472 231088987 /nfs/dbraw/zinc/08/89/87/231088987.db2.gz UEFAEJSBFKJHIV-UHFFFAOYSA-N 0 0 398.831 4.263 40 0 GIABRN O=C(CNC(=O)Oc1ccccc1)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000409005390 231146007 /nfs/dbraw/zinc/14/60/07/231146007.db2.gz ZSMQZLYRBLYFSW-UHFFFAOYSA-N 0 0 395.455 4.249 40 0 GIABRN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1CC(C)C ZINC000409113223 231163688 /nfs/dbraw/zinc/16/36/88/231163688.db2.gz HDHWDORPPVJKKZ-UHFFFAOYSA-N 0 0 395.532 4.344 40 0 GIABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1cccnc1 ZINC000222957719 222620799 /nfs/dbraw/zinc/62/07/99/222620799.db2.gz XCLRTNOWMQMTID-LEWJYISDSA-N 0 0 391.544 4.348 40 0 GIABRN CSc1cccc(NC(=O)COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)c1 ZINC000409182654 231176741 /nfs/dbraw/zinc/17/67/41/231176741.db2.gz MSVNQTABVLMGHD-UHFFFAOYSA-N 0 0 395.436 4.277 40 0 GIABRN O=C(OCc1ccccc1Cl)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000409222121 231183058 /nfs/dbraw/zinc/18/30/58/231183058.db2.gz BJVJPFQQQPMUGB-UHFFFAOYSA-N 0 0 391.810 4.498 40 0 GIABRN O=C(CN1C(=O)S/C(=C/c2ccc(Cl)s2)C1=O)Nc1cccc(F)c1 ZINC000409233048 231184686 /nfs/dbraw/zinc/18/46/86/231184686.db2.gz CZUYRSOAIOIGII-KPKJPENVSA-N 0 0 396.852 4.216 40 0 GIABRN COc1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2Cl)c(OC)c1OC ZINC000409410475 231201674 /nfs/dbraw/zinc/20/16/74/231201674.db2.gz NEQZYLSIVIHQAE-RMKNXTFCSA-N 0 0 396.270 4.349 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSc1ccccc1 ZINC000222996477 222622397 /nfs/dbraw/zinc/62/23/97/222622397.db2.gz HKBHAKSRBZQDJP-IBGZPJMESA-N 0 0 398.572 4.421 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C ZINC000222995600 222622422 /nfs/dbraw/zinc/62/24/22/222622422.db2.gz NPLITXPWTMJNLF-FQEVSTJZSA-N 0 0 396.531 4.016 40 0 GIABRN CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2CC)cc1 ZINC000409104988 529580415 /nfs/dbraw/zinc/58/04/15/529580415.db2.gz HHTJRDWEAQSKAL-UHFFFAOYSA-N 0 0 380.517 4.431 40 0 GIABRN CCc1ccccc1NC(=O)c1ccccc1N1C(=O)[C@H]2CC=C(C)C[C@@H]2C1=O ZINC000408683636 529600616 /nfs/dbraw/zinc/60/06/16/529600616.db2.gz NCWPXIRSSJBXCK-HKUYNNGSSA-N 0 0 388.467 4.347 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 ZINC000223134283 222626027 /nfs/dbraw/zinc/62/60/27/222626027.db2.gz CXTLTIPNNXIDSM-FQEVSTJZSA-N 0 0 380.532 4.180 40 0 GIABRN CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000103718675 529686104 /nfs/dbraw/zinc/68/61/04/529686104.db2.gz NJJUTZRWADPXKZ-AWEZNQCLSA-N 0 0 376.378 4.259 40 0 GIABRN CC[C@H](C)N1C(=O)S/C(=C/c2ccccc2I)C1=O ZINC000408551603 529695637 /nfs/dbraw/zinc/69/56/37/529695637.db2.gz OLTULLZWEHIFJK-KWINOFQJSA-N 0 0 387.242 4.126 40 0 GIABRN CCOc1ccc(S(=O)(=O)N[C@@H]2CC(CC)(CC)Oc3ccccc32)cc1 ZINC000223335612 222629983 /nfs/dbraw/zinc/62/99/83/222629983.db2.gz VIGJDRJLTVEACD-LJQANCHMSA-N 0 0 389.517 4.446 40 0 GIABRN Cc1ccc(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c(C)c1 ZINC000223333327 222630137 /nfs/dbraw/zinc/63/01/37/222630137.db2.gz SKKIMZZMTNSLSS-UHFFFAOYSA-N 0 0 386.495 4.457 40 0 GIABRN CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1 ZINC000223450531 222632862 /nfs/dbraw/zinc/63/28/62/222632862.db2.gz UPYCXGLJXZRHCB-UXHICEINSA-N 0 0 377.517 4.032 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1Cc1ccncc1 ZINC000223483898 222634466 /nfs/dbraw/zinc/63/44/66/222634466.db2.gz ZZXSUBWLVOTKPB-SJORKVTESA-N 0 0 386.933 4.364 40 0 GIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)NCCOc1cccc2ccccc21 ZINC000223552397 222635507 /nfs/dbraw/zinc/63/55/07/222635507.db2.gz NHLMTXRKAXSIKC-NRFANRHFSA-N 0 0 379.456 4.201 40 0 GIABRN CN(C)c1ccc(C(=S)N2CCc3ccccc3C2)cc1Br ZINC000409201694 529778403 /nfs/dbraw/zinc/77/84/03/529778403.db2.gz XIHMOMSLBODQIP-UHFFFAOYSA-N 0 0 375.335 4.249 40 0 GIABRN CN(C)c1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1 ZINC000007388682 529783686 /nfs/dbraw/zinc/78/36/86/529783686.db2.gz FSDFHYDZMZHDAG-UHFFFAOYSA-N 0 0 377.282 4.311 40 0 GIABRN Cc1ccccc1CS(=O)(=O)N(C)Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000223625180 222637567 /nfs/dbraw/zinc/63/75/67/222637567.db2.gz AMAHQQSKMCVSPJ-UHFFFAOYSA-N 0 0 399.516 4.130 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 ZINC000223675152 222639642 /nfs/dbraw/zinc/63/96/42/222639642.db2.gz GTIHOPKYFBMNRE-IBGZPJMESA-N 0 0 380.532 4.043 40 0 GIABRN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1C ZINC000223796921 222643192 /nfs/dbraw/zinc/64/31/92/222643192.db2.gz BGOGKZHPTUFZTB-UHFFFAOYSA-N 0 0 397.452 4.375 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223756182 222644075 /nfs/dbraw/zinc/64/40/75/222644075.db2.gz SWUOHWGQDQXDJC-IBGZPJMESA-N 0 0 378.516 4.014 40 0 GIABRN Cc1ccccc1CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC(C)(C)C ZINC000224086975 222649331 /nfs/dbraw/zinc/64/93/31/222649331.db2.gz PMDBQJMIUAQKGS-KRWDZBQOSA-N 0 0 384.495 4.009 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1C ZINC000224094493 222650015 /nfs/dbraw/zinc/65/00/15/222650015.db2.gz XOMREHBUNPDPFV-NRFANRHFSA-N 0 0 398.572 4.172 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224136093 222651322 /nfs/dbraw/zinc/65/13/22/222651322.db2.gz SVVZNNLKCFVINY-FQEVSTJZSA-N 0 0 380.532 4.035 40 0 GIABRN Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)c1 ZINC000224166282 222652314 /nfs/dbraw/zinc/65/23/14/222652314.db2.gz OXWBVLUAYJUCNE-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN CCC[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000224210346 222653002 /nfs/dbraw/zinc/65/30/02/222653002.db2.gz HOSIVSCZUCBBJF-KRWDZBQOSA-N 0 0 388.533 4.047 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 ZINC000224252133 222653892 /nfs/dbraw/zinc/65/38/92/222653892.db2.gz OYZXPSXSUMYGGI-QFIPXVFZSA-N 0 0 380.532 4.180 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 ZINC000224352060 222655350 /nfs/dbraw/zinc/65/53/50/222655350.db2.gz STPFWBIEVCDRCZ-FQEVSTJZSA-N 0 0 386.923 4.134 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C ZINC000224351862 222655577 /nfs/dbraw/zinc/65/55/77/222655577.db2.gz MTHORIJSNOEOBP-HXUWFJFHSA-N 0 0 386.923 4.134 40 0 GIABRN CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000224371054 222655701 /nfs/dbraw/zinc/65/57/01/222655701.db2.gz GBDDLTLIXYKMAG-GUYCJALGSA-N 0 0 377.868 4.392 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000224997508 222666800 /nfs/dbraw/zinc/66/68/00/222666800.db2.gz PCFUAFZWNLMIKH-PMACEKPBSA-N 0 0 380.532 4.178 40 0 GIABRN CCn1c(=O)sc2cc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)ccc21 ZINC000225097721 222669505 /nfs/dbraw/zinc/66/95/05/222669505.db2.gz KYMQUAKGMRTJAA-NSHDSACASA-N 0 0 376.865 4.142 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 ZINC000225050899 222668034 /nfs/dbraw/zinc/66/80/34/222668034.db2.gz VOCVJPBTKRGROA-QZTJIDSGSA-N 0 0 384.495 4.009 40 0 GIABRN CC(C)n1c(=O)sc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000225129122 222670338 /nfs/dbraw/zinc/67/03/38/222670338.db2.gz MYAVYIBMYFYTPC-UHFFFAOYSA-N 0 0 376.865 4.315 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C ZINC000225188106 222671128 /nfs/dbraw/zinc/67/11/28/222671128.db2.gz OFOAOLSXAYIFKD-HSZRJFAPSA-N 0 0 394.559 4.488 40 0 GIABRN CC(C)CSc1nnc(NC(=O)CN2c3cccc4cccc(c34)C2=O)s1 ZINC000225183761 222671834 /nfs/dbraw/zinc/67/18/34/222671834.db2.gz INZSWZMCGNOYSQ-UHFFFAOYSA-N 0 0 398.513 4.038 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C ZINC000225238386 222672224 /nfs/dbraw/zinc/67/22/24/222672224.db2.gz OLBHHCXEONBNQA-OALUTQOASA-N 0 0 398.522 4.317 40 0 GIABRN Cc1cccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c1 ZINC000225294075 222673678 /nfs/dbraw/zinc/67/36/78/222673678.db2.gz FNGFWQMOVWXVKD-ZHZULCJRSA-N 0 0 376.481 4.144 40 0 GIABRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)Cc1ccccc1Cl ZINC000225442809 222678962 /nfs/dbraw/zinc/67/89/62/222678962.db2.gz FCAKIIPEBMJVKF-UHFFFAOYSA-N 0 0 376.243 4.245 40 0 GIABRN COc1cccc(CCCNC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)c1 ZINC000225554730 222683333 /nfs/dbraw/zinc/68/33/33/222683333.db2.gz WHYXQAOJGIMVSD-UHFFFAOYSA-N 0 0 397.544 4.050 40 0 GIABRN COc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)cc3)CCOCC2)cc1 ZINC000225583786 222684573 /nfs/dbraw/zinc/68/45/73/222684573.db2.gz WYRMLEQLKSPAGP-UHFFFAOYSA-N 0 0 383.488 4.417 40 0 GIABRN CN(c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)S(C)(=O)=O ZINC000409123137 530034943 /nfs/dbraw/zinc/03/49/43/530034943.db2.gz FHQKTNDXSPRBMN-UHFFFAOYSA-N 0 0 396.468 4.127 40 0 GIABRN CN1C(=O)N/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000409196159 530045687 /nfs/dbraw/zinc/04/56/87/530045687.db2.gz ZEOUTBRUWDNADK-OVCLIPMQSA-N 0 0 377.227 4.095 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)NCCCOC2CCCCC2)c1C ZINC000225617946 222686701 /nfs/dbraw/zinc/68/67/01/222686701.db2.gz FHXXFEGNKIKJSA-UHFFFAOYSA-N 0 0 378.538 4.198 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225713380 222692726 /nfs/dbraw/zinc/69/27/26/222692726.db2.gz WMKULIXZIGUKEW-QFIPXVFZSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000225722486 222692741 /nfs/dbraw/zinc/69/27/41/222692741.db2.gz NYINQHFCCNPZMW-MRXNPFEDSA-N 0 0 382.938 4.181 40 0 GIABRN CCOc1cc(CNC(=S)Nc2ccc(OC)c(Cl)c2)ccc1OC ZINC000225770376 222696514 /nfs/dbraw/zinc/69/65/14/222696514.db2.gz NUCRGPZXUCUANE-UHFFFAOYSA-N 0 0 380.897 4.243 40 0 GIABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccccc2C)cc1 ZINC000225811364 222699269 /nfs/dbraw/zinc/69/92/69/222699269.db2.gz QQFRZWVFHVNZQN-STZFKDTASA-N 0 0 390.508 4.452 40 0 GIABRN CCCCOc1ccc(NC(=O)C2(OCC)CCCC2)cc1C(=O)OCC ZINC000225828741 222699319 /nfs/dbraw/zinc/69/93/19/222699319.db2.gz XNSTXIVVDMNDDA-UHFFFAOYSA-N 0 0 377.481 4.330 40 0 GIABRN CCCO[C@@]1(C(=O)Nc2ccc(OCC)c(C(=O)OC)c2)CCC[C@H](C)C1 ZINC000225853339 222700865 /nfs/dbraw/zinc/70/08/65/222700865.db2.gz MDQSKKBKEZNXDQ-BTYIYWSLSA-N 0 0 377.481 4.186 40 0 GIABRN CCOC(=O)c1cc(NC(=S)NC2(CCOC)CCCC2)ccc1Cl ZINC000225866325 222701460 /nfs/dbraw/zinc/70/14/60/222701460.db2.gz OSFRWCHMZVGBIW-UHFFFAOYSA-N 0 0 384.929 4.152 40 0 GIABRN OCc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1 ZINC000226317963 222706033 /nfs/dbraw/zinc/70/60/33/222706033.db2.gz SKROEZXDHMAHQX-UHFFFAOYSA-N 0 0 385.588 4.245 40 0 GIABRN CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2ccccc2Br)CC1 ZINC000255189764 222744492 /nfs/dbraw/zinc/74/44/92/222744492.db2.gz RWNCOMMJZGEEHM-JOCQHMNTSA-N 0 0 397.313 4.015 40 0 GIABRN COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4c[nH]nc4C)C3)c2)cc1 ZINC000257230844 222757978 /nfs/dbraw/zinc/75/79/78/222757978.db2.gz GEDWGDSMVXZZBA-GOSISDBHSA-N 0 0 390.487 4.117 40 0 GIABRN Cc1cc(Nc2cccc(CC3CCN(C(=O)C4CCCCC4)CC3)n2)n[nH]1 ZINC000257285713 222770011 /nfs/dbraw/zinc/77/00/11/222770011.db2.gz PIKSAZIDMARFPZ-UHFFFAOYSA-N 0 0 381.524 4.218 40 0 GIABRN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)c1C ZINC000257315900 222774982 /nfs/dbraw/zinc/77/49/82/222774982.db2.gz VDESZCQDTAJBCP-SFHVURJKSA-N 0 0 398.894 4.490 40 0 GIABRN Cc1cnc(C(=O)N2CCC[C@@H](c3cc(-c4ccc(F)cc4)cc(C)n3)C2)cn1 ZINC000257328703 222775754 /nfs/dbraw/zinc/77/57/54/222775754.db2.gz XGTUCUABTRLSPY-GOSISDBHSA-N 0 0 390.462 4.314 40 0 GIABRN Fc1c(Br)cc(C(F)(F)F)c(F)c1I ZINC000258830984 222781446 /nfs/dbraw/zinc/78/14/46/222781446.db2.gz JHPMAGUDKAFNID-UHFFFAOYSA-N 0 0 386.883 4.351 40 0 GIABRN Cc1cccc(C(=O)N2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306127945 222795390 /nfs/dbraw/zinc/79/53/90/222795390.db2.gz GLJKZCURVJTIRD-OAQYLSRUSA-N 0 0 397.482 4.120 40 0 GIABRN Cc1c2c(ccc1Cl)[C@](O)([C@@H](C(=O)c1ccccc1)c1ccccc1)C(=O)N2 ZINC000001624387 212251037 /nfs/dbraw/zinc/25/10/37/212251037.db2.gz WTTVOLUUKVXFHM-XXBNENTESA-N 0 0 391.854 4.455 40 0 GIABRN CC(=O)Nc1c2c(c(Br)cc1Br)-c1ccccc1C2=O ZINC000001609897 212250345 /nfs/dbraw/zinc/25/03/45/212250345.db2.gz HQGPTBFVPXDWMI-UHFFFAOYSA-N 0 0 395.050 4.381 40 0 GIABRN Cc1ccccc1NC(=O)c1c2c(sc1NC(=O)c1ccncc1)CCC2 ZINC000001104461 212218286 /nfs/dbraw/zinc/21/82/86/212218286.db2.gz HJHZAYNFNKVCRC-UHFFFAOYSA-N 0 0 377.469 4.445 40 0 GIABRN COc1ccc(NN2C(=O)/C(=C/c3ccc(O)cc3)N=C2c2ccccc2)cc1 ZINC000001092248 212216328 /nfs/dbraw/zinc/21/63/28/212216328.db2.gz JQFJKOSPPLBKPO-QNGOZBTKSA-N 0 0 385.423 4.058 40 0 GIABRN COC(=O)c1ccc(NC(=O)CSc2cc(Br)ccc2C)cc1 ZINC000000938552 212197125 /nfs/dbraw/zinc/19/71/25/212197125.db2.gz GGRLACIZKGYEDD-UHFFFAOYSA-N 0 0 394.290 4.275 40 0 GIABRN O=C(c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F)N1CCCCC1 ZINC000000866019 212192181 /nfs/dbraw/zinc/19/21/81/212192181.db2.gz WHCQOICYHPFYHM-HZPDHXFCSA-N 0 0 396.388 4.309 40 0 GIABRN Cc1c(O)ccc2c1O[C@@]1(C[C@@H]2c2ccc(F)cc2)CC(C)(C)NC(=S)N1 ZINC000000875638 212191347 /nfs/dbraw/zinc/19/13/47/212191347.db2.gz MCXGYPFDJCUCGI-IERDGZPVSA-N 0 0 386.492 4.097 40 0 GIABRN COc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000000841766 212187943 /nfs/dbraw/zinc/18/79/43/212187943.db2.gz OZQSSPXFSIDOQX-JXAWBTAJSA-N 0 0 378.453 4.166 40 0 GIABRN COc1ccc2c(c1)CCc1sc(NC(=O)c3cc(OC)cc(OC)c3)nc1-2 ZINC000000792479 212181184 /nfs/dbraw/zinc/18/11/84/212181184.db2.gz NHZRIGQYQVMITG-UHFFFAOYSA-N 0 0 396.468 4.187 40 0 GIABRN O=c1n(Cc2ccccc2)c2cc(Br)cnc2n1Cc1ccccc1 ZINC000000639252 212168463 /nfs/dbraw/zinc/16/84/63/212168463.db2.gz USMYUDYWZVCJIZ-UHFFFAOYSA-N 0 0 394.272 4.057 40 0 GIABRN O=C(c1ccccc1Br)N1CC[C@H](Oc2cccc3cccnc32)C1 ZINC000253401620 212135971 /nfs/dbraw/zinc/13/59/71/212135971.db2.gz NJZRXBJAFFXFLF-HNNXBMFYSA-N 0 0 397.272 4.291 40 0 GIABRN COC(=O)[C@H]1CC(=O)N(c2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)C1 ZINC000057327357 212131394 /nfs/dbraw/zinc/13/13/94/212131394.db2.gz HDDSCURGDXDCDI-INIZCTEOSA-N 0 0 378.428 4.144 40 0 GIABRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@@]13O[C@H]3C[C@@H]2c1ccc(=O)oc1 ZINC000027634398 212117836 /nfs/dbraw/zinc/11/78/36/212117836.db2.gz ATLJNLYIJOCWJE-VRLFRWBSSA-N 0 0 384.516 4.258 40 0 GIABRN Cc1nn(C)cc1/C=C1/C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O ZINC000118916001 212110383 /nfs/dbraw/zinc/11/03/83/212110383.db2.gz NGPBGXXVOJHCFZ-YAYZUUKDSA-N 0 0 396.575 4.406 40 0 GIABRN Clc1cccc(CNc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)c1 ZINC000329060255 212094679 /nfs/dbraw/zinc/09/46/79/212094679.db2.gz WKNXVIXBOXPPIA-UHFFFAOYSA-N 0 0 393.922 4.393 40 0 GIABRN COC(=O)c1ccc(Nc2cc(-c3cccnc3)nc(NC(C)(C)C)n2)cc1 ZINC000329031709 212093787 /nfs/dbraw/zinc/09/37/87/212093787.db2.gz QJVHEEWUYCTORH-UHFFFAOYSA-N 0 0 377.448 4.279 40 0 GIABRN CCc1cccc(C)c1Nc1cc(-c2cccnc2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329033789 212093682 /nfs/dbraw/zinc/09/36/82/212093682.db2.gz QWCHMYGYCVVSMP-FQEVSTJZSA-N 0 0 391.519 4.004 40 0 GIABRN Fc1cc(Nc2cc(Cl)nc(-c3cccnc3)n2)cc(F)c1Br ZINC000329013948 212093560 /nfs/dbraw/zinc/09/35/60/212093560.db2.gz MSGFKAFCUPKQFJ-UHFFFAOYSA-N 0 0 397.610 4.398 40 0 GIABRN CC[C@@H](C)Nc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccn2)n1 ZINC000329040795 212093166 /nfs/dbraw/zinc/09/31/66/212093166.db2.gz SFSVKICBVCMRKA-CYBMUJFWSA-N 0 0 387.409 4.355 40 0 GIABRN Fc1cc(Br)ccc1Nc1cc(Cl)nc(-c2ccccn2)n1 ZINC000328994408 212092644 /nfs/dbraw/zinc/09/26/44/212092644.db2.gz JDCGJWDYMQWBGR-UHFFFAOYSA-N 0 0 379.620 4.259 40 0 GIABRN FC(F)(F)Oc1ccccc1Nc1cc(C2CC2)nc(NC2CCCC2)n1 ZINC000328982823 212092663 /nfs/dbraw/zinc/09/26/63/212092663.db2.gz HCQYKADRKOIISS-UHFFFAOYSA-N 0 0 378.398 4.195 40 0 GIABRN Cc1cc(Nc2cc(C(F)(F)F)nc(N[C@@H](CO)C(C)C)n2)ccc1Cl ZINC000328997981 212092398 /nfs/dbraw/zinc/09/23/98/212092398.db2.gz JRAFNKWCPMZLFM-ZDUSSCGKSA-N 0 0 388.821 4.052 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc(Nc2cccc(Cl)c2)cc(-c2ccccc2)n1 ZINC000328999225 212091664 /nfs/dbraw/zinc/09/16/64/212091664.db2.gz JUYYNHWKUGRJMJ-LJQANCHMSA-N 0 0 382.895 4.391 40 0 GIABRN CC(C)(C)c1ccc(Nc2cc(-c3ccccc3)nc(NCCCO)n2)cc1 ZINC000328956365 212090682 /nfs/dbraw/zinc/09/06/82/212090682.db2.gz AFHKNPZNWQPSPG-UHFFFAOYSA-N 0 0 376.504 4.401 40 0 GIABRN CCc1cccc(C)c1Nc1cc(-c2ccccn2)nc(N[C@@H](CO)C(C)C)n1 ZINC000328966966 212090549 /nfs/dbraw/zinc/09/05/49/212090549.db2.gz CPWGNXYKDZIPBC-FQEVSTJZSA-N 0 0 391.519 4.004 40 0 GIABRN CCOc1ccc(Nc2cc(-c3ccccn3)nc(N[C@@H](CO)C(C)C)n2)cc1 ZINC000328976322 212090035 /nfs/dbraw/zinc/09/00/35/212090035.db2.gz FOBZQJWGJBEFEN-FQEVSTJZSA-N 0 0 393.491 4.110 40 0 GIABRN COc1ccc(OC)c(NC(=O)CSc2ncnc3sc(C)c(C)c32)c1 ZINC000000886413 532970535 /nfs/dbraw/zinc/97/05/35/532970535.db2.gz CASLJRMJMQJPQY-UHFFFAOYSA-N 0 0 389.502 4.056 40 0 GIABRN COc1ccc(O[C@H](C)C(=O)NCCSCc2ccccc2Cl)cc1 ZINC000408705617 533031366 /nfs/dbraw/zinc/03/13/66/533031366.db2.gz KBDUMYGYQOSQOH-CQSZACIVSA-N 0 0 379.909 4.166 40 0 GIABRN COc1cc(OC)cc(C(=O)/N=c2\sc(C)c(-c3ccc(C)cc3)n2C)c1 ZINC000409206060 533063659 /nfs/dbraw/zinc/06/36/59/533063659.db2.gz UXCGOUKDOKVUEI-DQRAZIAOSA-N 0 0 382.485 4.129 40 0 GIABRN Cc1cccc(NCN2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000000910490 220466205 /nfs/dbraw/zinc/46/62/05/220466205.db2.gz LYQNCTWKVIHXMI-SNDHGLFQSA-N 0 0 394.474 4.257 40 0 GIABRN COC(=O)C(=Cc1cc(Cl)cc(Cl)c1OCc1ccccc1)C(=O)OC ZINC000409046762 533127259 /nfs/dbraw/zinc/12/72/59/533127259.db2.gz LUVWTVSFWGLJNG-UHFFFAOYSA-N 0 0 395.238 4.302 40 0 GIABRN COc1ccccc1CN(C(=O)c1cc2ccccc2oc1=O)C1CCCC1 ZINC000001330093 220487718 /nfs/dbraw/zinc/48/77/18/220487718.db2.gz HGXZISIXHJQKCU-UHFFFAOYSA-N 0 0 377.440 4.387 40 0 GIABRN C[C@@H]1CCCN(C(=O)C2(NC(=O)Nc3ccc(F)cc3F)CCCCC2)C1 ZINC000001344923 220487667 /nfs/dbraw/zinc/48/76/67/220487667.db2.gz QJHRRMHQVWPHCX-CQSZACIVSA-N 0 0 379.451 4.048 40 0 GIABRN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2 ZINC000001368681 220492406 /nfs/dbraw/zinc/49/24/06/220492406.db2.gz JRIYQJPKMFZPAG-GASCZTMLSA-N 0 0 384.549 4.118 40 0 GIABRN CCOc1ccc(NC(=O)N2CCC(n3cnc4cc(F)ccc43)CC2)cc1 ZINC000001380316 220493675 /nfs/dbraw/zinc/49/36/75/220493675.db2.gz IPHZJBJCILCBTJ-UHFFFAOYSA-N 0 0 382.439 4.443 40 0 GIABRN O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)NCc1cccs1 ZINC000001329388 220487839 /nfs/dbraw/zinc/48/78/39/220487839.db2.gz FBRQQNSVZBGYHN-UHFFFAOYSA-N 0 0 380.498 4.095 40 0 GIABRN C[C@H]1CCCN(C(=O)C2(NC(=O)Nc3ccc(F)cc3F)CCCCC2)C1 ZINC000001344921 220487944 /nfs/dbraw/zinc/48/79/44/220487944.db2.gz QJHRRMHQVWPHCX-AWEZNQCLSA-N 0 0 379.451 4.048 40 0 GIABRN CCCc1nc2sc(C)c(C)c2c(SCC(=O)Nc2nnc(C)s2)n1 ZINC000004241185 220696962 /nfs/dbraw/zinc/69/69/62/220696962.db2.gz ZQRBPJMAYSIAQV-UHFFFAOYSA-N 0 0 393.563 4.151 40 0 GIABRN Cc1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)o2)c(C)c1 ZINC000004130269 220685104 /nfs/dbraw/zinc/68/51/04/220685104.db2.gz WZOWHAZNAHIWNF-UHFFFAOYSA-N 0 0 386.452 4.168 40 0 GIABRN COCCN(C(=O)c1ccccc1C)c1nc(-c2ccc(OC)cc2)cs1 ZINC000004169355 220688948 /nfs/dbraw/zinc/68/89/48/220688948.db2.gz IDGFSVJHGKTXJK-UHFFFAOYSA-N 0 0 382.485 4.420 40 0 GIABRN COc1ccc(-c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)nn2)cc1OC ZINC000408529415 533181253 /nfs/dbraw/zinc/18/12/53/533181253.db2.gz HFSIRDKNGYEEIW-UHFFFAOYSA-N 0 0 394.471 4.283 40 0 GIABRN Cc1cccc(C(=O)NC2CCN(C(=S)Nc3cccc(Cl)c3)CC2)c1 ZINC000004888660 220784238 /nfs/dbraw/zinc/78/42/38/220784238.db2.gz JIYCHFBPRBTUDB-UHFFFAOYSA-N 0 0 387.936 4.240 40 0 GIABRN Cc1ccc(NC(=O)N2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccccc2)C3)cc1 ZINC000004888171 220784860 /nfs/dbraw/zinc/78/48/60/220784860.db2.gz XKLNWLRAQBOFDJ-SEJPIABJSA-N 0 0 377.488 4.342 40 0 GIABRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](N5CC5)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000004896644 220786661 /nfs/dbraw/zinc/78/66/61/220786661.db2.gz LEWNLHKUUYCCDG-DWKSCWABSA-N 0 0 399.575 4.380 40 0 GIABRN COc1ccc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2c1 ZINC000004848788 220775978 /nfs/dbraw/zinc/77/59/78/220775978.db2.gz WYEYLKLOAHLFFL-UHFFFAOYSA-N 0 0 389.480 4.239 40 0 GIABRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O ZINC000409106813 533199344 /nfs/dbraw/zinc/19/93/44/533199344.db2.gz PJOQVKWFNQOTNX-CNOAHFENSA-N 0 0 391.832 4.198 40 0 GIABRN CC[C@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)NCc1cccc2ccccc21 ZINC000005414385 220866679 /nfs/dbraw/zinc/86/66/79/220866679.db2.gz QQHCCMSTFWAYQT-ICSRJNTNSA-N 0 0 395.547 4.312 40 0 biogenic,in-vitro GIABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc1Cl ZINC000005897140 220906392 /nfs/dbraw/zinc/90/63/92/220906392.db2.gz SNHYHMQPMAGIBQ-UHFFFAOYSA-N 0 0 389.908 4.370 40 0 GIABRN CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)c1 ZINC000006186630 220924109 /nfs/dbraw/zinc/92/41/09/220924109.db2.gz JCCHVGVPANIANZ-UHFFFAOYSA-N 0 0 387.848 4.323 40 0 GIABRN Cc1cc(Br)cc(C)c1NC(=O)COC(=O)c1ccccc1F ZINC000006202586 220924379 /nfs/dbraw/zinc/92/43/79/220924379.db2.gz PPLUKEIQRCPGIX-UHFFFAOYSA-N 0 0 380.213 4.001 40 0 GIABRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccc(Cl)cc1 ZINC000007068518 220984714 /nfs/dbraw/zinc/98/47/14/220984714.db2.gz WWHTVOUFYQWYHV-UHFFFAOYSA-N 0 0 376.243 4.292 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)COc3cccc4ccccc43)n2)cc1 ZINC000007759282 221010052 /nfs/dbraw/zinc/01/00/52/221010052.db2.gz AYGSKAIJQKJNDX-UHFFFAOYSA-N 0 0 387.439 4.236 40 0 GIABRN CC(C)(C)c1ccc(OCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000007759431 221010421 /nfs/dbraw/zinc/01/04/21/221010421.db2.gz RPORWSHNMYCECG-UHFFFAOYSA-N 0 0 399.878 4.383 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)n2)c1 ZINC000007780985 221010925 /nfs/dbraw/zinc/01/09/25/221010925.db2.gz MQLVFGGKCDNEOI-HNNXBMFYSA-N 0 0 399.878 4.433 40 0 GIABRN O=C(Nc1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000007652611 221004765 /nfs/dbraw/zinc/00/47/65/221004765.db2.gz LFUPTVPBFLQDRJ-UHFFFAOYSA-N 0 0 399.299 4.030 40 0 GIABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(Cl)ccc1Cl ZINC000008168538 221029651 /nfs/dbraw/zinc/02/96/51/221029651.db2.gz VJFVAUIMRUJERZ-UHFFFAOYSA-N 0 0 385.272 4.137 40 0 GIABRN Clc1cccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)n[nH]2)c1Cl ZINC000008904547 221062135 /nfs/dbraw/zinc/06/21/35/221062135.db2.gz BYBREQKPODTKBC-UHFFFAOYSA-N 0 0 390.274 4.359 40 0 GIABRN COc1cc(CNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc(OC)c1OC ZINC000009888309 221093780 /nfs/dbraw/zinc/09/37/80/221093780.db2.gz IUSGPHLQXOBLDU-GFCCVEGCSA-N 0 0 395.908 4.163 40 0 GIABRN Cc1onc(-c2ccncc2)c1C(=O)N[C@@H](c1ccncc1)c1ccccc1C ZINC000012148496 221160846 /nfs/dbraw/zinc/16/08/46/221160846.db2.gz XZNINIRKYMEGQV-NRFANRHFSA-N 0 0 384.439 4.268 40 0 GIABRN O=C(N[C@@H]1CC2(CCOCC2)Oc2ccccc21)c1nsc(Cl)c1Cl ZINC000012086943 221149539 /nfs/dbraw/zinc/14/95/39/221149539.db2.gz BLPZSFBNWKVNCM-LLVKDONJSA-N 0 0 399.299 4.253 40 0 GIABRN C[C@@H](NC(=O)[C@@H](c1ccccc1)C1CCCC1)c1nc(-c2cccnc2)n[nH]1 ZINC000012114770 221151739 /nfs/dbraw/zinc/15/17/39/221151739.db2.gz PYRZRIURCQKAIK-BEFAXECRSA-N 0 0 375.476 4.018 40 0 GIABRN C[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1nnc(-c2ccncc2)[nH]1 ZINC000012114843 221151973 /nfs/dbraw/zinc/15/19/73/221151973.db2.gz PZLUBPRYMLQALV-CQSZACIVSA-N 0 0 395.894 4.209 40 0 GIABRN COc1ccccc1CC(=O)N[C@@H](CC(C)C)c1nc2cccnc2n1C(C)C ZINC000012114114 221152002 /nfs/dbraw/zinc/15/20/02/221152002.db2.gz AOMXCKWHZGGXPC-IBGZPJMESA-N 0 0 394.519 4.467 40 0 GIABRN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ncoc2-c2cccs2)CC1 ZINC000012115110 221152207 /nfs/dbraw/zinc/15/22/07/221152207.db2.gz IDTQZQLNUMZKKJ-UHFFFAOYSA-N 0 0 387.892 4.327 40 0 GIABRN Cc1nc(CC(=O)N2CCC(c3ccncc3)CC2)c(-c2ccccc2)s1 ZINC000012117377 221152224 /nfs/dbraw/zinc/15/22/24/221152224.db2.gz UHNQSJMCXQMARS-UHFFFAOYSA-N 0 0 377.513 4.462 40 0 GIABRN COc1cc(-c2nc3cnccn3c2NCc2cccs2)cc(OC)c1OC ZINC000012113815 221152254 /nfs/dbraw/zinc/15/22/54/221152254.db2.gz LGTMYLAYTAGEPR-UHFFFAOYSA-N 0 0 396.472 4.096 40 0 GIABRN CCOc1ccccc1-c1nc2cnccn2c1NCc1ccc2c(c1)OCO2 ZINC000012113793 221152393 /nfs/dbraw/zinc/15/23/93/221152393.db2.gz FFHUJDIOCDGMBY-UHFFFAOYSA-N 0 0 388.427 4.136 40 0 GIABRN Cc1cc(-c2cncnc2C2CCN(C(=O)c3cccc4ncccc43)CC2)on1 ZINC000012118315 221152822 /nfs/dbraw/zinc/15/28/22/221152822.db2.gz RFFRAUGLYNRPSK-UHFFFAOYSA-N 0 0 399.454 4.008 40 0 GIABRN COc1cccc(C2(NC(=O)c3ccc(Cn4cc(Cl)cn4)o3)CCCC2)c1 ZINC000012143105 221158990 /nfs/dbraw/zinc/15/89/90/221158990.db2.gz IYMNDIMGEWLHPA-UHFFFAOYSA-N 0 0 399.878 4.386 40 0 GIABRN O=C(Cn1ccc2ccc(F)cc21)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000012148401 221159815 /nfs/dbraw/zinc/15/98/15/221159815.db2.gz FYDFELVVCMKPIE-UHFFFAOYSA-N 0 0 379.435 4.045 40 0 GIABRN CC(=O)N1c2ccc(NC(=O)CSc3nccc4ccccc43)cc2C[C@H]1C ZINC000012148665 221160145 /nfs/dbraw/zinc/16/01/45/221160145.db2.gz GEWCRSQEFVSQCH-CQSZACIVSA-N 0 0 391.496 4.263 40 0 GIABRN Cc1cc(-c2cnc(NCCn3nc(C)cc3C)nc2-c2cccs2)on1 ZINC000012154301 221160566 /nfs/dbraw/zinc/16/05/66/221160566.db2.gz PEEZFZNRIYMSPS-UHFFFAOYSA-N 0 0 380.477 4.094 40 0 GIABRN Cc1sc2nc(C3CC3)n(C3CCN(C(=O)CC(C)C)CC3)c(=O)c2c1C ZINC000012336907 221182652 /nfs/dbraw/zinc/18/26/52/221182652.db2.gz BOFDNXGOKNKWBP-UHFFFAOYSA-N 0 0 387.549 4.162 40 0 GIABRN Cc1noc(-c2cnc(NCCc3c(C)noc3C)nc2-c2ccco2)c1C ZINC000012186830 221163983 /nfs/dbraw/zinc/16/39/83/221163983.db2.gz PEDIAOPNCHSYCL-UHFFFAOYSA-N 0 0 379.420 4.268 40 0 GIABRN COc1cc(C)c(CNC(=O)c2cccc(N3CCCC3=O)c2)cc1C(C)C ZINC000012193878 221165074 /nfs/dbraw/zinc/16/50/74/221165074.db2.gz RUGLQXHUBLEELZ-UHFFFAOYSA-N 0 0 380.488 4.184 40 0 GIABRN Cc1ncccc1-c1cc2cccnc2n1CCCNC(=O)CC1CCCC1 ZINC000012222809 221168777 /nfs/dbraw/zinc/16/87/77/221168777.db2.gz PEYJBXCKXABEOY-UHFFFAOYSA-N 0 0 376.504 4.493 40 0 GIABRN C/C=C/C(=O)N1CCC(c2cc(C(F)(F)F)n3nc(C(C)(C)C)cc3n2)CC1 ZINC000012219351 221169074 /nfs/dbraw/zinc/16/90/74/221169074.db2.gz URRIDNWIIJZLCX-AATRIKPKSA-N 0 0 394.441 4.328 40 0 GIABRN Cc1ncccc1-c1cc2cccnc2n1CCC(=O)N1CCC[C@H](C)[C@@H]1C ZINC000012222790 221169077 /nfs/dbraw/zinc/16/90/77/221169077.db2.gz PMBVCMHNEJEQGD-WMZOPIPTSA-N 0 0 376.504 4.444 40 0 GIABRN Clc1ccc(-c2nc(N3CCSCC3)ncc2-c2ncc[nH]2)c(Cl)c1 ZINC000012221795 221169406 /nfs/dbraw/zinc/16/94/06/221169406.db2.gz KEADLCQSQOSRKD-UHFFFAOYSA-N 0 0 392.315 4.394 40 0 GIABRN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3Cc3ccncc3C)cc2n1 ZINC000012223021 221170957 /nfs/dbraw/zinc/17/09/57/221170957.db2.gz XUSXWSRGBHBHFQ-INIZCTEOSA-N 0 0 375.398 4.097 40 0 GIABRN COc1cc(N)c(Cl)cc1C(=O)OCC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000012622620 221215838 /nfs/dbraw/zinc/21/58/38/221215838.db2.gz RTRUFMLGFFXCDB-JCGVRSQUSA-N 0 0 397.899 4.092 40 0 GIABRN Cc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4cnccn4)ncc32)sc1C ZINC000013226756 221263737 /nfs/dbraw/zinc/26/37/37/221263737.db2.gz RMULWUKAUWWYLI-MRXNPFEDSA-N 0 0 393.516 4.055 40 0 GIABRN Cc1cc(-c2cnn(CCNC(=O)[C@@H]3CC=CCC3)c2-c2cccs2)on1 ZINC000013226731 221263854 /nfs/dbraw/zinc/26/38/54/221263854.db2.gz OERSKMBZXQIYQT-OAHLLOKOSA-N 0 0 382.489 4.048 40 0 GIABRN Cc1ccc(CS(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000013631857 221278205 /nfs/dbraw/zinc/27/82/05/221278205.db2.gz CDODRBFLURQUGZ-UHFFFAOYSA-N 0 0 399.487 4.333 40 0 GIABRN Cc1cc(C(F)(F)F)n2ncc(-c3noc(-c4cc(F)cc(F)c4)n3)c2n1 ZINC000013644982 221278523 /nfs/dbraw/zinc/27/85/23/221278523.db2.gz ARSWXPILPISRGQ-UHFFFAOYSA-N 0 0 381.264 4.052 40 0 GIABRN COc1cc2[nH]c(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)cc2c(OC)c1OC ZINC000013574771 221274393 /nfs/dbraw/zinc/27/43/93/221274393.db2.gz GNZOZZBQCMBUKA-MCMMXHMISA-N 0 0 386.492 4.235 40 0 GIABRN CC[C@H](C(=O)Nc1cc(C)ccc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716095 221282718 /nfs/dbraw/zinc/28/27/18/221282718.db2.gz ACZKHGGQPMOFHP-HXUWFJFHSA-N 0 0 388.533 4.104 40 0 GIABRN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](C)Oc2ccccc2Cl)CC1 ZINC000013709882 221283449 /nfs/dbraw/zinc/28/34/49/221283449.db2.gz FJVCMIOYJBKCSS-HNNXBMFYSA-N 0 0 393.314 4.418 40 0 GIABRN CC[C@@H](C(=O)Nc1cccc(C)c1C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714262 221283579 /nfs/dbraw/zinc/28/35/79/221283579.db2.gz YLFUTOHUXJWBMU-SFHVURJKSA-N 0 0 394.924 4.140 40 0 GIABRN COc1ccc2[nH]c(C(=O)N3CCC(n4c(C)nc5ccccc54)CC3)cc2c1 ZINC000014976935 221322986 /nfs/dbraw/zinc/32/29/86/221322986.db2.gz CJFMJEUEUPHGHU-UHFFFAOYSA-N 0 0 388.471 4.312 40 0 GIABRN CCNC(=O)NC1=Nc2ccccc2N=C(CC)[C@H]1c1ccc(OC)c(OC)c1 ZINC000014608120 221313262 /nfs/dbraw/zinc/31/32/62/221313262.db2.gz GKQCKIKVFNYYIQ-HXUWFJFHSA-N 0 0 394.475 4.333 40 0 GIABRN CC(C)c1ccc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1 ZINC000015509432 221336510 /nfs/dbraw/zinc/33/65/10/221336510.db2.gz BXBFVYIWQUWYBB-UHFFFAOYSA-N 0 0 387.288 4.017 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)cc1C ZINC000015529259 221336547 /nfs/dbraw/zinc/33/65/47/221336547.db2.gz JOYNAWXDJOHOER-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN c1nc2c([nH]1)CN(CC1CCCCC1)[C@H](c1nc(Cc3ccccc3)no1)C2 ZINC000015675668 221338535 /nfs/dbraw/zinc/33/85/35/221338535.db2.gz DPVGAFHNBPBJNU-FQEVSTJZSA-N 0 0 377.492 4.063 40 0 biogenic,in-vitro GIABRN O=C(NC[C@@H]1CCC[C@@H](CNC(=O)NC2CCCCC2)C1)NC1CCCCC1 ZINC000016137832 221357121 /nfs/dbraw/zinc/35/71/21/221357121.db2.gz CIQGCJUDSYLVNW-QZTJIDSGSA-N 0 0 392.588 4.057 40 0 GIABRN COc1ccc(/C(Cl)=C(/C[NH+](C)C)c2ccc(OC)c(OC)c2)cc1OC ZINC000017176451 221381425 /nfs/dbraw/zinc/38/14/25/221381425.db2.gz PACQILDXNKWFSS-LTGZKZEYSA-N 0 0 391.895 4.390 40 0 GIABRN COc1cccc(OCc2nnc(SCC(=O)Nc3c(C)cccc3C)o2)c1 ZINC000017227293 221382372 /nfs/dbraw/zinc/38/23/72/221382372.db2.gz QKYOOJQVWFHKKC-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN CCCc1nn(CC(=O)Nc2cc(Cl)ccc2C)c(=S)n1-n1cccc1 ZINC000016806798 221370314 /nfs/dbraw/zinc/37/03/14/221370314.db2.gz VVEYUTLNLDLYGV-UHFFFAOYSA-N 0 0 389.912 4.080 40 0 GIABRN CCc1nn(CC(=O)Nc2c(Cl)cccc2Cl)c(=S)n1-n1cccc1 ZINC000016777745 221371320 /nfs/dbraw/zinc/37/13/20/221371320.db2.gz LRIYCJPFPBNGES-UHFFFAOYSA-N 0 0 396.303 4.035 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C(=O)[C@H]1CC=CCC1 ZINC000019017453 221394223 /nfs/dbraw/zinc/39/42/23/221394223.db2.gz BLVPXYHJDRSFBB-IITNATTFSA-N 0 0 398.522 4.268 40 0 GIABRN Cc1ncsc1C(=O)N1CCC(c2nc(C)cc(-c3ccsc3)n2)CC1 ZINC000019118542 221397639 /nfs/dbraw/zinc/39/76/39/221397639.db2.gz ISTYJZXBOXMTQX-UHFFFAOYSA-N 0 0 384.530 4.298 40 0 GIABRN O=C(CCc1nc(-c2ccncc2)no1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000019371017 221411010 /nfs/dbraw/zinc/41/10/10/221411010.db2.gz CLWJFSCPKSXSDN-HXUWFJFHSA-N 0 0 390.487 4.078 40 0 GIABRN Oc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCc3ccccc3C2)cc1 ZINC000019375354 221411646 /nfs/dbraw/zinc/41/16/46/221411646.db2.gz YNAXAHORLVBKQN-QFIPXVFZSA-N 0 0 389.503 4.032 40 0 GIABRN C[C@@H](NC(=O)[C@H](c1ccccc1)C1CCCCC1)c1nnc(-c2ccncc2)[nH]1 ZINC000019458024 221414560 /nfs/dbraw/zinc/41/45/60/221414560.db2.gz WDCBYMXYOZXSBE-OXQOHEQNSA-N 0 0 389.503 4.408 40 0 GIABRN C[C@H](CNC(=O)c1cc(C2CCOCC2)c2cnccc2n1)c1ccccc1 ZINC000019456463 221414750 /nfs/dbraw/zinc/41/47/50/221414750.db2.gz SFTYZOCGTJFXRO-MRXNPFEDSA-N 0 0 375.472 4.057 40 0 GIABRN Cc1cnccc1-c1c[nH]nc1[C@H]1CCCCN1C(=O)Cc1cccc(F)c1 ZINC000019239586 221403672 /nfs/dbraw/zinc/40/36/72/221403672.db2.gz JHMFWPWDPXBUAW-HXUWFJFHSA-N 0 0 378.451 4.216 40 0 GIABRN Cn1cc(-c2cc(C(=O)Nc3ncc(Cc4ccccc4Cl)s3)no2)cn1 ZINC000019290772 221405600 /nfs/dbraw/zinc/40/56/00/221405600.db2.gz YNSSPJQLEVVSQE-UHFFFAOYSA-N 0 0 399.863 4.028 40 0 GIABRN Cc1noc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)c2cccc(F)c2)c1C ZINC000019558206 221426455 /nfs/dbraw/zinc/42/64/55/221426455.db2.gz FYEBNQJLYIHZDA-GOSISDBHSA-N 0 0 382.439 4.198 40 0 GIABRN CCn1cc([C@@H](NC(=O)Cc2cccnc2)c2ccc(F)cc2)c2ccncc21 ZINC000019524833 221420845 /nfs/dbraw/zinc/42/08/45/221420845.db2.gz QVEFGYWOCRXJSS-QHCPKHFHSA-N 0 0 388.446 4.039 40 0 GIABRN Cc1nn(C)c2nc(C)cc(C(=O)N(Cc3ccccc3)Cc3cccc(C)n3)c12 ZINC000019662754 221438862 /nfs/dbraw/zinc/43/88/62/221438862.db2.gz OHKCNMZKWIEGNO-UHFFFAOYSA-N 0 0 399.498 4.131 40 0 GIABRN COC(C)(C)C(=O)N1CCC(c2cc(Cc3ccc(C)cc3)cc(C)n2)CC1 ZINC000019687108 221439447 /nfs/dbraw/zinc/43/94/47/221439447.db2.gz UJHFAAWBNWKOGJ-UHFFFAOYSA-N 0 0 380.532 4.420 40 0 GIABRN CCOc1ccc(CCC(=O)NCCCc2ccc(OC)cc2)cc1OCC ZINC000020044400 221469892 /nfs/dbraw/zinc/46/98/92/221469892.db2.gz MDGUXFDMMGPZAA-UHFFFAOYSA-N 0 0 385.504 4.174 40 0 GIABRN CCCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000020049266 221470150 /nfs/dbraw/zinc/47/01/50/221470150.db2.gz NKUPTZHXQDGSCD-UHFFFAOYSA-N 0 0 394.924 4.369 40 0 GIABRN COc1ccc(/C=C/C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)cc1 ZINC000020145175 221474644 /nfs/dbraw/zinc/47/46/44/221474644.db2.gz PCEPGGLCCWEMPU-LFYBBSHMSA-N 0 0 379.412 4.108 40 0 GIABRN CC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccc(C)c(C)c3)o2)cc1 ZINC000020196921 221476188 /nfs/dbraw/zinc/47/61/88/221476188.db2.gz HPSMNRPVLFTMPT-UHFFFAOYSA-N 0 0 395.484 4.211 40 0 GIABRN CCCc1nnc2sc(-c3cccc(NC(=O)c4cccc(C)c4)c3)nn12 ZINC000020609614 221504108 /nfs/dbraw/zinc/50/41/08/221504108.db2.gz MJJBEQFWVHDZDR-UHFFFAOYSA-N 0 0 377.473 4.366 40 0 GIABRN Cc1cccc([C@@H]2CC(=O)c3cn4nc(SCCC(C)C)nc4nc3C2)c1 ZINC000020796150 221512276 /nfs/dbraw/zinc/51/22/76/221512276.db2.gz WCRHRNOPEXSDKS-INIZCTEOSA-N 0 0 380.517 4.484 40 0 GIABRN COc1ccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@]2(O)C(F)(F)F)cc1 ZINC000409088270 533318469 /nfs/dbraw/zinc/31/84/69/533318469.db2.gz KRDYZVLHEBXHJL-RFUYNDQBSA-N 0 0 398.425 4.220 40 0 GIABRN COc1ccc(C)cc1NC(=O)Cn1nc(COc2cccc(C)c2)oc1=S ZINC000409152041 533398947 /nfs/dbraw/zinc/39/89/47/533398947.db2.gz AAISKDOQWGYYOQ-UHFFFAOYSA-N 0 0 399.472 4.049 40 0 GIABRN COc1cccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@]2(O)C(F)(F)F)c1 ZINC000409108614 533405152 /nfs/dbraw/zinc/40/51/52/533405152.db2.gz XFDJDAHFVRUBCT-OHNRDTAOSA-N 0 0 398.425 4.220 40 0 GIABRN COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)C ZINC000409251711 533471654 /nfs/dbraw/zinc/47/16/54/533471654.db2.gz VVJUURXDVOSSMD-MHWRWJLKSA-N 0 0 386.835 4.233 40 0 GIABRN Cc1ccc(C)c(N(CCCC(=O)Nc2cccc(C)c2C)S(C)(=O)=O)c1 ZINC000408705829 533671687 /nfs/dbraw/zinc/67/16/87/533671687.db2.gz OFQDZMRXCVTVOI-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN Cc1occc1-c1cc2nc(C)c(C)c(N3CC[C@]4(O)CCCC[C@@H]4C3)n2n1 ZINC000072336855 136168475 /nfs/dbraw/zinc/16/84/75/136168475.db2.gz RCHIUCZXGJVPHX-VGOFRKELSA-N 0 0 380.492 4.046 40 0 GIABRN Cc1nc([C@@H]2CCCN2C(=O)C(C)C)nc2c1CCCN2CCc1ccccc1 ZINC000072373796 136169212 /nfs/dbraw/zinc/16/92/12/136169212.db2.gz NDWMCBYGNPQPEH-NRFANRHFSA-N 0 0 392.547 4.100 40 0 GIABRN Cc1ccc(C)c(NC(=O)c2nc3c(s2)CCCN3c2ccc(C)nn2)c1 ZINC000096037466 136183343 /nfs/dbraw/zinc/18/33/43/136183343.db2.gz JMEPJDQWVZHZSQ-UHFFFAOYSA-N 0 0 379.489 4.195 40 0 GIABRN Cc1ccc(N2CCCc3sc(C(=O)Nc4ccc(C)c(F)c4)nc32)nn1 ZINC000096062699 136183463 /nfs/dbraw/zinc/18/34/63/136183463.db2.gz KQJOYCQXKUAFBZ-UHFFFAOYSA-N 0 0 383.452 4.026 40 0 GIABRN Cc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCC[C@@H](O)C4)n3n2)c1 ZINC000001341337 136193209 /nfs/dbraw/zinc/19/32/09/136193209.db2.gz FVQMVVPGKBBYCM-HXUWFJFHSA-N 0 0 384.483 4.333 40 0 GIABRN O=C(COc1ccccc1)Nc1ccccc1N1CCN(c2ccccc2)CC1 ZINC000004092909 136193659 /nfs/dbraw/zinc/19/36/59/136193659.db2.gz BTKXGVWUFXEHKQ-UHFFFAOYSA-N 0 0 387.483 4.031 40 0 GIABRN O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(N2CCOCC2)cc1 ZINC000187960418 136202269 /nfs/dbraw/zinc/20/22/69/136202269.db2.gz RFYNQCYBTUDSSZ-UHFFFAOYSA-N 0 0 394.899 4.188 40 0 GIABRN Cc1ccc(N2CCC(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)CC2)cc1 ZINC000219858932 136204418 /nfs/dbraw/zinc/20/44/18/136204418.db2.gz ANDXRBSTJHNPAF-UHFFFAOYSA-N 0 0 393.531 4.378 40 0 GIABRN Cc1nc(-c2ccccc2)ncc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000222558881 136204796 /nfs/dbraw/zinc/20/47/96/136204796.db2.gz YCWNQSVGAOTKLO-UHFFFAOYSA-N 0 0 392.890 4.068 40 0 GIABRN Cc1ccc(CNC(=S)Nc2ccc(N3CCc4ccccc4C3)nc2)o1 ZINC000223907306 136205945 /nfs/dbraw/zinc/20/59/45/136205945.db2.gz HWOCGYFTNWTAHV-UHFFFAOYSA-N 0 0 378.501 4.032 40 0 GIABRN COc1ccc(CNC(=S)Nc2ccc(N3C[C@H](C)C[C@@H](C)C3)nc2)cc1 ZINC000223926925 136206016 /nfs/dbraw/zinc/20/60/16/136206016.db2.gz KEIAPTMPMPXHAE-HZPDHXFCSA-N 0 0 384.549 4.059 40 0 GIABRN C[C@@H]1CCCN(c2ccc(NC(=S)NCCCc3ccc(F)cc3)cn2)C1 ZINC000223968744 136206095 /nfs/dbraw/zinc/20/60/95/136206095.db2.gz MVJJTRYXRLFFFC-MRXNPFEDSA-N 0 0 386.540 4.376 40 0 GIABRN CCn1cc(C(=O)Nc2cccc(F)c2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236749 221555390 /nfs/dbraw/zinc/55/53/90/221555390.db2.gz RUAJFVYMJMAQIZ-UHFFFAOYSA-N 0 0 378.325 4.432 40 0 GIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000022519020 221561868 /nfs/dbraw/zinc/56/18/68/221561868.db2.gz WEYNMXMXTHOZRD-MRXNPFEDSA-N 0 0 379.840 4.162 40 0 GIABRN O=C(NCCSCc1ccc(Cl)cc1)C1(c2ccccc2)CCOCC1 ZINC000032341367 221720613 /nfs/dbraw/zinc/72/06/13/221720613.db2.gz ZDOUVODUAYQOCT-UHFFFAOYSA-N 0 0 389.948 4.438 40 0 GIABRN COc1ccc(NC(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)cc1 ZINC000035314259 221817483 /nfs/dbraw/zinc/81/74/83/221817483.db2.gz DWELXJNMIDDCAB-UHFFFAOYSA-N 0 0 382.439 4.361 40 0 GIABRN COc1cccc2c(C(=O)N3CCN(C)[C@@H](C)C3)cn(CC3CCCCC3)c21 ZINC000058523499 222054296 /nfs/dbraw/zinc/05/42/96/222054296.db2.gz ONXJNAIZJKLJGA-KRWDZBQOSA-N 0 0 383.536 4.006 40 0 in-vitro GIABRN COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 ZINC000059351926 222056763 /nfs/dbraw/zinc/05/67/63/222056763.db2.gz OVDWQTLNIRPHOI-CHWSQXEVSA-N 0 0 378.266 4.102 40 0 GIABRN COc1ccc(OC)c([C@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 ZINC000060807210 222060828 /nfs/dbraw/zinc/06/08/28/222060828.db2.gz AFPYRGNSYKUCIG-AWEZNQCLSA-N 0 0 377.868 4.230 40 0 GIABRN Cc1nccn1-c1ccccc1CNC(=O)COc1cc(C)ccc1C(C)C ZINC000065739843 222135719 /nfs/dbraw/zinc/13/57/19/222135719.db2.gz ZRZSCKBBEBRSTQ-UHFFFAOYSA-N 0 0 377.488 4.308 40 0 GIABRN Cc1c(Br)ccc(I)c1Br ZINC000067796568 222159381 /nfs/dbraw/zinc/15/93/81/222159381.db2.gz DHCRCOHZTWTMPK-UHFFFAOYSA-N 0 0 375.829 4.125 40 0 GIABRN Cc1cc(I)cc(Br)c1Br ZINC000067796581 222160052 /nfs/dbraw/zinc/16/00/52/222160052.db2.gz FCJJVLGPZFNEOA-UHFFFAOYSA-N 0 0 375.829 4.125 40 0 GIABRN FC(F)(F)c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccn3)n2)cc1 ZINC000067898576 222168015 /nfs/dbraw/zinc/16/80/15/222168015.db2.gz RMDRSVDDVCWUIO-SFHVURJKSA-N 0 0 388.393 4.064 40 0 biogenic,in-vitro GIABRN Cc1nn(-c2ccccc2)c(Cl)c1-c1nnc2nc(-c3ccccc3)cnn21 ZINC000068561953 222171102 /nfs/dbraw/zinc/17/11/02/222171102.db2.gz UOCGWSIKFFJICP-UHFFFAOYSA-N 0 0 387.834 4.001 40 0 GIABRN COc1ccc(-c2cnc(CCC(=O)N[C@@H](C)CCc3ccccc3)o2)cc1 ZINC000069148574 222173153 /nfs/dbraw/zinc/17/31/53/222173153.db2.gz XKUDVIXEMSIIOK-KRWDZBQOSA-N 0 0 378.472 4.420 40 0 GIABRN Cc1nonc1CN(C)Cc1cc(-c2ccc(F)cc2)cnc1-c1ccncc1 ZINC000072343216 222231628 /nfs/dbraw/zinc/23/16/28/222231628.db2.gz YUVJKINSEWCNDN-UHFFFAOYSA-N 0 0 389.434 4.273 40 0 GIABRN Cc1nn2c(nc(C)c(C)c2NCCCn2ccnc2)c1-c1ccc(F)cc1 ZINC000072341713 222232232 /nfs/dbraw/zinc/23/22/32/222232232.db2.gz VCHRGGGMAYBGDX-UHFFFAOYSA-N 0 0 378.455 4.159 40 0 GIABRN Cc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)Cc4ccccn4)C3)n2)c1 ZINC000072349481 222236049 /nfs/dbraw/zinc/23/60/49/222236049.db2.gz BTVVCMGMXLHOSP-OAQYLSRUSA-N 0 0 385.511 4.325 40 0 GIABRN CCn1ccnc1CN1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072350295 222236180 /nfs/dbraw/zinc/23/61/80/222236180.db2.gz HGCSSPHZUPQISG-IBGZPJMESA-N 0 0 378.495 4.408 40 0 GIABRN O=C(Cc1cccnc1)N1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000072349375 222236634 /nfs/dbraw/zinc/23/66/34/222236634.db2.gz VSJMRNGXZBWJLG-LJQANCHMSA-N 0 0 375.447 4.231 40 0 GIABRN Cc1cc(-c2ccc(N)nc2)cc([C@H]2CCCN(C(=O)C3CCCCC3)C2)n1 ZINC000072353612 222237997 /nfs/dbraw/zinc/23/79/97/222237997.db2.gz ZVPITEGSDOGIEG-IBGZPJMESA-N 0 0 378.520 4.321 40 0 GIABRN COc1ccc(NC(=O)c2sc3ccccc3c2[C@H]2CCN(C(C)=O)C2)cc1 ZINC000072352626 222238486 /nfs/dbraw/zinc/23/84/86/222238486.db2.gz DMBQYQIAFYOJEA-HNNXBMFYSA-N 0 0 394.496 4.498 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@H](c3ccc(Nc4cccc(C)n4)cn3)C2)o1 ZINC000072353345 222238498 /nfs/dbraw/zinc/23/84/98/222238498.db2.gz JVKQCGFJTXXUTF-KRWDZBQOSA-N 0 0 391.475 4.153 40 0 GIABRN Cc1ncsc1C(=O)N1CCC[C@@H](c2nccnc2-c2cccc(C)c2)C1 ZINC000072359025 222238933 /nfs/dbraw/zinc/23/89/33/222238933.db2.gz ZSFGORWQGRAMJD-QGZVFWFLSA-N 0 0 378.501 4.237 40 0 GIABRN O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072358924 222239017 /nfs/dbraw/zinc/23/90/17/222239017.db2.gz XJVJSTZOYMAFJE-GOSISDBHSA-N 0 0 393.437 4.371 40 0 GIABRN Cc1ncsc1C(=O)N1CCC[C@H](c2nccnc2-c2cccc(C)c2)C1 ZINC000072359026 222239137 /nfs/dbraw/zinc/23/91/37/222239137.db2.gz ZSFGORWQGRAMJD-KRWDZBQOSA-N 0 0 378.501 4.237 40 0 GIABRN O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072358923 222239329 /nfs/dbraw/zinc/23/93/29/222239329.db2.gz XJVJSTZOYMAFJE-SFHVURJKSA-N 0 0 393.437 4.371 40 0 GIABRN Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)n1 ZINC000072356178 222239366 /nfs/dbraw/zinc/23/93/66/222239366.db2.gz DSMLMKMNAQBQOQ-SFHVURJKSA-N 0 0 394.906 4.377 40 0 GIABRN Cc1ccc(Cc2cccc([C@@H]3CCCN3CC(=O)Nc3nccs3)n2)cc1 ZINC000072357697 222239857 /nfs/dbraw/zinc/23/98/57/222239857.db2.gz OBFBGBXPXRTMOM-FQEVSTJZSA-N 0 0 392.528 4.213 40 0 GIABRN Cn1nccc1C(=O)N1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1 ZINC000072358142 222239992 /nfs/dbraw/zinc/23/99/92/222239992.db2.gz JZXJSGYEMPLCGP-LJQANCHMSA-N 0 0 380.879 4.037 40 0 GIABRN Cc1ncsc1C(=O)N1CCC[C@H](c2cncc(-c3cccc(C)c3)n2)C1 ZINC000072359707 222239996 /nfs/dbraw/zinc/23/99/96/222239996.db2.gz FNZGBVCQWUYHOG-KRWDZBQOSA-N 0 0 378.501 4.237 40 0 GIABRN COCC(=O)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072357864 222240068 /nfs/dbraw/zinc/24/00/68/222240068.db2.gz RUMBONBREDJAAO-GOSISDBHSA-N 0 0 378.394 4.001 40 0 GIABRN Cc1ccc(Oc2nccnc2[C@H]2CCCN(C(=O)c3cscn3)C2)cc1 ZINC000072362651 222240882 /nfs/dbraw/zinc/24/08/82/222240882.db2.gz PCQREPCPTFYYIL-HNNXBMFYSA-N 0 0 380.473 4.054 40 0 GIABRN Cc1cc(Oc2ccccc2C)nc([C@@H]2CCCN(C(=O)C3CCOCC3)C2)n1 ZINC000072362909 222241343 /nfs/dbraw/zinc/24/13/43/222241343.db2.gz NQTIQZRRJNRPQF-LJQANCHMSA-N 0 0 395.503 4.018 40 0 GIABRN CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)C3CCCCC3)n2)s1 ZINC000072375188 222242006 /nfs/dbraw/zinc/24/20/06/222242006.db2.gz QFNJTHLNLYGPRN-MRXNPFEDSA-N 0 0 385.537 4.483 40 0 GIABRN O=C([C@@H]1CC12CCC2)N1CCC(c2ccc(Nc3ccc(F)cn3)cn2)CC1 ZINC000072374314 222242034 /nfs/dbraw/zinc/24/20/34/222242034.db2.gz NBYQRAWBJHBPGG-SFHVURJKSA-N 0 0 380.467 4.256 40 0 GIABRN O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000072375287 222242365 /nfs/dbraw/zinc/24/23/65/222242365.db2.gz DDTZNKHSFVWZIS-KRWDZBQOSA-N 0 0 382.464 4.327 40 0 GIABRN Cc1cc(N2CC[C@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)nc(C)n1 ZINC000072371419 222243322 /nfs/dbraw/zinc/24/33/22/222243322.db2.gz ASBDJXMAEADYAY-INIZCTEOSA-N 0 0 397.910 4.085 40 0 GIABRN Nc1ncc(-c2ccccc2)c([C@@H]2CCCCN2C(=O)CCc2ccccc2)n1 ZINC000072376902 222244683 /nfs/dbraw/zinc/24/46/83/222244683.db2.gz VHNRDVKGGLIJFP-NRFANRHFSA-N 0 0 386.499 4.412 40 0 GIABRN CCOc1cc(S(=O)(=O)N(CC)c2cccc(C)c2)c(OCC)cc1C ZINC000072414380 222256782 /nfs/dbraw/zinc/25/67/82/222256782.db2.gz MACFGYHMSRKAES-UHFFFAOYSA-N 0 0 377.506 4.316 40 0 GIABRN CCOc1cc(C=O)ccc1OCc1nc(-c2cccc(OC(F)F)c2)no1 ZINC000089263036 222328083 /nfs/dbraw/zinc/32/80/83/222328083.db2.gz NUBPZHQFXZJDQR-UHFFFAOYSA-N 0 0 390.342 4.128 40 0 GIABRN COc1ccc(-c2cc(Cl)nc(-c3ccc(OC)c(OC)c3)n2)cc1OC ZINC000078401311 222296669 /nfs/dbraw/zinc/29/66/69/222296669.db2.gz BZSNCQYYHNOPMA-UHFFFAOYSA-N 0 0 386.835 4.498 40 0 GIABRN O=C(c1ccn(-c2ccc3ccc(-c4cccc(F)c4)cn32)n1)N1CCCCO1 ZINC000096038131 222374597 /nfs/dbraw/zinc/37/45/97/222374597.db2.gz LIZIZJZTQCTTNE-UHFFFAOYSA-N 0 0 390.418 4.099 40 0 GIABRN Cc1ccc(-c2nc(-c3noc4ccc(C(=O)N5CCCO5)cc43)co2)cc1 ZINC000096037816 222375665 /nfs/dbraw/zinc/37/56/65/222375665.db2.gz GKCOLEXXCZBTSZ-UHFFFAOYSA-N 0 0 375.384 4.236 40 0 GIABRN Fc1ccc2[nH]c(CO[C@H]3CN(Cc4ccc(Cl)cc4)C[C@H]3F)nc2c1 ZINC000096112217 222382186 /nfs/dbraw/zinc/38/21/86/222382186.db2.gz VZOZVIWYCCKCMF-QAPCUYQASA-N 0 0 377.822 4.095 40 0 biogenic,in-vitro GIABRN CC1CCN(c2ccc3ccc(C(=O)NCCc4cccc(F)c4)cn32)CC1 ZINC000096146137 222389733 /nfs/dbraw/zinc/38/97/33/222389733.db2.gz YSOXZQDRDWWSDW-UHFFFAOYSA-N 0 0 379.479 4.287 40 0 GIABRN Fc1cccc(Nc2ccc3c([C@@H]4CCCN4Cc4cccnc4)nnn3c2)c1 ZINC000096156583 222393283 /nfs/dbraw/zinc/39/32/83/222393283.db2.gz DAHPFGADMSGSAS-FQEVSTJZSA-N 0 0 388.450 4.344 40 0 GIABRN C[C@H]1CCCCN1C(=O)c1ccn(-c2ccc3ccc(-c4ccncc4)cn32)n1 ZINC000096155374 222393298 /nfs/dbraw/zinc/39/32/98/222393298.db2.gz NNAXIVXIGPDAJK-KRWDZBQOSA-N 0 0 385.471 4.202 40 0 GIABRN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccnn1-c1ccc2ccc(-c3ccncc3)cn21 ZINC000096155264 222393777 /nfs/dbraw/zinc/39/37/77/222393777.db2.gz QPKGCHVVQZRWHG-UTKZUKDTSA-N 0 0 399.498 4.496 40 0 GIABRN O=C(NC1CCCCCCC1)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000101695578 222476386 /nfs/dbraw/zinc/47/63/86/222476386.db2.gz CNVFGSXRCVHFMQ-KDURUIRLSA-N 0 0 395.547 4.432 40 0 GIABRN Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc2)n1 ZINC000149076826 222528363 /nfs/dbraw/zinc/52/83/63/222528363.db2.gz RBLHNSORMQQZGU-UHFFFAOYSA-N 0 0 377.488 4.265 40 0 GIABRN COC(=O)c1ccc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)cc1 ZINC000408813435 533959034 /nfs/dbraw/zinc/95/90/34/533959034.db2.gz NYGLJEVSKKTFAJ-UHFFFAOYSA-N 0 0 387.868 4.198 40 0 GIABRN C[C@@H](SCc1ccccc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408565575 533996901 /nfs/dbraw/zinc/99/69/01/533996901.db2.gz LLRFCOAAHOFQLL-ZTVSIKPCSA-N 0 0 380.557 4.166 40 0 GIABRN COc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1Cl ZINC000409411263 534025972 /nfs/dbraw/zinc/02/59/72/534025972.db2.gz VMUIQKYMXBFXRE-UXBLZVDNSA-N 0 0 377.824 4.026 40 0 GIABRN Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)cc1C ZINC000408673471 534189981 /nfs/dbraw/zinc/18/99/81/534189981.db2.gz SIRNFNFTWMFNDT-IPHXSNPTSA-N 0 0 388.467 4.257 40 0 GIABRN Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)cc1C ZINC000408673472 534190115 /nfs/dbraw/zinc/19/01/15/534190115.db2.gz SIRNFNFTWMFNDT-IWMITWMQSA-N 0 0 388.467 4.257 40 0 GIABRN Cc1ccc(NC(=O)c2ccccc2N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)c(C)c1 ZINC000408685045 534192381 /nfs/dbraw/zinc/19/23/81/534192381.db2.gz PZNBXIXKWIBDMB-HKUYNNGSSA-N 0 0 388.467 4.401 40 0 GIABRN Cc1ccc2nsnc2c1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000408571734 534526262 /nfs/dbraw/zinc/52/62/62/534526262.db2.gz DRWSCNULWTZTLE-UHFFFAOYSA-N 0 0 384.530 4.424 40 0 GIABRN Cc1cccc(CC(=O)NC[C@H]2CC[C@H](c3n[nH]cc3-c3ccncc3)CC2)c1 ZINC000100744799 524342116 /nfs/dbraw/zinc/34/21/16/524342116.db2.gz SHUHPJBEVXEZNM-RVWIWJKTSA-N 0 0 388.515 4.413 40 0 GIABRN Cc1ccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)cc1 ZINC000005814307 524488648 /nfs/dbraw/zinc/48/86/48/524488648.db2.gz ZNJLQVFHMMCEED-STZFKDTASA-N 0 0 390.508 4.452 40 0 GIABRN CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000091351568 534889777 /nfs/dbraw/zinc/88/97/77/534889777.db2.gz JQXIXVPVEQBDDW-NSHDSACASA-N 0 0 393.837 4.495 40 0 GIABRN CC(=O)NC(=S)Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1 ZINC000408628733 526688428 /nfs/dbraw/zinc/68/84/28/526688428.db2.gz WTBXVPWHMYNPTI-UHFFFAOYSA-N 0 0 390.262 4.090 40 0 GIABRN CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2)CC1 ZINC000006239239 527482290 /nfs/dbraw/zinc/48/22/90/527482290.db2.gz YEUHHMLCHCWYPR-UHFFFAOYSA-N 0 0 393.531 4.367 40 0 GIABRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C(C)C)c(OC)cc2C)C1=O ZINC000409018444 527729089 /nfs/dbraw/zinc/72/90/89/527729089.db2.gz WVJBTVZCHWMTSX-VGSSETLESA-N 0 0 391.489 4.115 40 0 GIABRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc(F)c3)o2)C1=O ZINC000409106336 527793108 /nfs/dbraw/zinc/79/31/08/527793108.db2.gz LIJPJJQCMPVBHE-CXUHLZMHSA-N 0 0 389.404 4.074 40 0 GIABRN CCC[C@H](C)NC(=O)c1cc2c(nc(SC)nc2N2CCCCC2)s1 ZINC000408623371 528064646 /nfs/dbraw/zinc/06/46/46/528064646.db2.gz STDJLMTXXXUCJP-LBPRGKRZSA-N 0 0 378.567 4.322 40 0 GIABRN CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000408731882 528067392 /nfs/dbraw/zinc/06/73/92/528067392.db2.gz QKDHANATGIDZRC-FPMFRTRJSA-N 0 0 379.459 4.431 40 0 GIABRN CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccccc3Cl)C(=O)[C@@H]2C1 ZINC000408687028 528122522 /nfs/dbraw/zinc/12/25/22/528122522.db2.gz TXTKMOPGUIDLFA-GDBMZVCRSA-N 0 0 394.858 4.438 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)n2cc(C(C)=O)c3ccccc32)cc1 ZINC000409200305 528236123 /nfs/dbraw/zinc/23/61/23/528236123.db2.gz RGAHWDVWWXOZSW-CQSZACIVSA-N 0 0 378.428 4.220 40 0 GIABRN CCOc1cc(C(=O)Nc2cc(OC)ccc2OC)cc(Cl)c1OCC ZINC000408556776 528237671 /nfs/dbraw/zinc/23/76/71/528237671.db2.gz LMRFMSGYFPOCIU-UHFFFAOYSA-N 0 0 379.840 4.407 40 0 GIABRN CCOc1cc(CNc2ccccc2C)cc(I)c1O ZINC000409119974 528286945 /nfs/dbraw/zinc/28/69/45/528286945.db2.gz RNVODJZIYFSYQV-UHFFFAOYSA-N 0 0 383.229 4.316 40 0 GIABRN CCOc1cc2c(cc1/C=C1/SC(=O)N(Cc3ccc(C)cc3)C1=O)OCO2 ZINC000409089956 528338601 /nfs/dbraw/zinc/33/86/01/528338601.db2.gz PJNGTJAWKVNBKA-DJKKODMXSA-N 0 0 397.452 4.359 40 0 GIABRN CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2CC)cc1 ZINC000409098754 528358512 /nfs/dbraw/zinc/35/85/12/528358512.db2.gz PEGPDYFBOIGIJZ-UHFFFAOYSA-N 0 0 396.516 4.268 40 0 GIABRN CCOc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000409071126 528368427 /nfs/dbraw/zinc/36/84/27/528368427.db2.gz DSAKWJYYFXJCNZ-MHWRWJLKSA-N 0 0 386.835 4.235 40 0 GIABRN CCOc1ccc(/C=C2\SC(Nc3cc(C)ccc3OC)NC2=O)cc1OC ZINC000408801545 528370900 /nfs/dbraw/zinc/37/09/00/528370900.db2.gz VNQOKOFGMQQPMT-UHFFFAOYSA-N 0 0 399.492 4.174 40 0 GIABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000006386307 528392352 /nfs/dbraw/zinc/39/23/52/528392352.db2.gz MAIHGZXQBZHZBO-UHFFFAOYSA-N 0 0 396.299 4.469 40 0 GIABRN CCCNC(=O)c1cc(S(=O)(=O)Nc2cccc3ccccc32)ccc1C ZINC000408606369 528444187 /nfs/dbraw/zinc/44/41/87/528444187.db2.gz PBLLMDSHEMDZBV-UHFFFAOYSA-N 0 0 382.485 4.089 40 0 GIABRN CCCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408702283 528454248 /nfs/dbraw/zinc/45/42/48/528454248.db2.gz APPVDEHNRJXOOQ-FQEVSTJZSA-N 0 0 388.920 4.254 40 0 GIABRN CCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 ZINC000408707040 528490694 /nfs/dbraw/zinc/49/06/94/528490694.db2.gz GLQGBNCGEAZVRN-AOCRQIFASA-N 0 0 386.536 4.159 40 0 GIABRN CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(OC)cc1 ZINC000408705297 528553068 /nfs/dbraw/zinc/55/30/68/528553068.db2.gz BQWVHIXWLPCQCC-FQEVSTJZSA-N 0 0 384.476 4.021 40 0 GIABRN CCCc1sc(NC(=O)c2ccccn2)nc1-c1cc(OC)cc(OC)c1 ZINC000408833021 528807517 /nfs/dbraw/zinc/80/75/17/528807517.db2.gz SRCGCRUQZXGWRO-UHFFFAOYSA-N 0 0 383.473 4.427 40 0 GIABRN CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O ZINC000409248090 528952882 /nfs/dbraw/zinc/95/28/82/528952882.db2.gz FXNOEGOBRLOZHQ-LICLKQGHSA-N 0 0 391.254 4.485 40 0 GIABRN CCOC(=O)N[C@@H](CC(=O)Nc1cc2c(cc1OC)CCCC2)c1ccccc1 ZINC000408981642 529090275 /nfs/dbraw/zinc/09/02/75/529090275.db2.gz WAYGGHSKKBINAE-IBGZPJMESA-N 0 0 396.487 4.390 40 0 GIABRN CCOC(=O)N[C@@H](CC(=O)Nc1cc(Cl)ccc1OC)c1ccccc1 ZINC000409000770 529091048 /nfs/dbraw/zinc/09/10/48/529091048.db2.gz FWDFSFRCXRZBMQ-HNNXBMFYSA-N 0 0 376.840 4.165 40 0 GIABRN CCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000408561056 529159987 /nfs/dbraw/zinc/15/99/87/529159987.db2.gz GELVHAIJFADUGD-UHFFFAOYSA-N 0 0 389.521 4.232 40 0 GIABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(I)cc1 ZINC000014013281 529245084 /nfs/dbraw/zinc/24/50/84/529245084.db2.gz XCWOOQFOUDWMDS-MRXNPFEDSA-N 0 0 395.240 4.396 40 0 GIABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000408702362 529245092 /nfs/dbraw/zinc/24/50/92/529245092.db2.gz DYTXQWOVFOJSAK-OAQYLSRUSA-N 0 0 396.487 4.117 40 0 GIABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCN1CCCc2ccccc21 ZINC000219383722 536044547 /nfs/dbraw/zinc/04/45/47/536044547.db2.gz JYMHPVVDWABOMV-QFIPXVFZSA-N 0 0 380.532 4.420 40 0 GIABRN COc1ccc2cc(CNc3ccc(N4CCC[C@H](C)C4)cc3)c(=O)[nH]c2c1 ZINC000072396143 537035107 /nfs/dbraw/zinc/03/51/07/537035107.db2.gz XDJLUORGHYUGLT-INIZCTEOSA-N 0 0 377.488 4.385 40 0 GIABRN CCOc1cccc2sc(NC(=O)c3cc(-c4cnn(CC)c4C)no3)nc21 ZINC000019719064 570210164 /nfs/dbraw/zinc/21/01/64/570210164.db2.gz SYKBBGYBNIGGHT-UHFFFAOYSA-N 0 0 397.460 4.127 40 0 GIABRN C[C@@H](O)c1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc(C3CC3)n1)C2 ZINC000329020306 570213060 /nfs/dbraw/zinc/21/30/60/570213060.db2.gz OAKQXVYIEXNJNZ-OAHLLOKOSA-N 0 0 378.520 4.325 40 0 GIABRN C[C@@H](CO)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccc2)n1 ZINC000329021729 570213486 /nfs/dbraw/zinc/21/34/86/570213486.db2.gz OIAIGRXDPHJZKU-INIZCTEOSA-N 0 0 376.504 4.399 40 0 GIABRN Cc1ccc(Nc2cc(-c3ccccn3)nc(NC(C)C)n2)cc1C(F)(F)F ZINC000329043043 570214400 /nfs/dbraw/zinc/21/44/00/570214400.db2.gz SPYAOKVOHCJJAT-UHFFFAOYSA-N 0 0 387.409 4.274 40 0 GIABRN Cc1nc([C@H]2CCCCN2C(=O)C2CCCC2)ncc1C(=O)Nc1ccccc1 ZINC000019755811 570216298 /nfs/dbraw/zinc/21/62/98/570216298.db2.gz XHJSZWNZXTWAKB-HXUWFJFHSA-N 0 0 392.503 4.281 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2ccc3sc(C)nc3c2)cc(-c2ccccn2)n1 ZINC000329068957 570216383 /nfs/dbraw/zinc/21/63/83/570216383.db2.gz YSUYZIDACXKETM-ZDUSSCGKSA-N 0 0 390.516 4.255 40 0 GIABRN Fc1ccc(Nc2cc(-c3ccccc3)nc(NC3CC3)n2)c(Br)c1 ZINC000329071084 570216894 /nfs/dbraw/zinc/21/68/94/570216894.db2.gz ZMXGFKCZQFHYCI-UHFFFAOYSA-N 0 0 399.267 4.207 40 0 GIABRN CN(C)C(=O)C[C@H]1CC2(CCN(C(=O)CC3CCCC3)CC2)c2ccccc21 ZINC000096242068 570222768 /nfs/dbraw/zinc/22/27/68/570222768.db2.gz MDQIARCIZXSJTD-IBGZPJMESA-N 0 0 382.548 4.093 40 0 GIABRN Cc1cccc(C)c1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C1=O ZINC000005092373 570222834 /nfs/dbraw/zinc/22/28/34/570222834.db2.gz SYBDVGVMJKJPBQ-WWNPGLIZSA-N 0 0 398.462 4.355 40 0 GIABRN Cc1ccc(NC(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)cc1 ZINC000000882852 570227908 /nfs/dbraw/zinc/22/79/08/570227908.db2.gz JMKIKVXFVRHBDP-UHFFFAOYSA-N 0 0 378.501 4.276 40 0 GIABRN CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)o2)cc1 ZINC000019929229 570230385 /nfs/dbraw/zinc/23/03/85/570230385.db2.gz XKSMFOURAPWAMD-UHFFFAOYSA-N 0 0 396.472 4.043 40 0 GIABRN CCOC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c(Cl)c1 ZINC000020045147 570237237 /nfs/dbraw/zinc/23/72/37/570237237.db2.gz KUJVHYLXDQNGRT-UHFFFAOYSA-N 0 0 381.881 4.243 40 0 GIABRN Cc1oc2c(c1C(=O)N1CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C1)CCCC2 ZINC000585270058 570238872 /nfs/dbraw/zinc/23/88/72/570238872.db2.gz BIJCSTOUKGIIBR-LBPRGKRZSA-N 0 0 381.398 4.229 40 0 GIABRN CC(C)C[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000020111027 570240652 /nfs/dbraw/zinc/24/06/52/570240652.db2.gz XHHZTTRALSHNQT-GOSISDBHSA-N 0 0 394.924 4.229 40 0 GIABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(CN2CCOCC2)c1 ZINC000020110193 570240767 /nfs/dbraw/zinc/24/07/67/570240767.db2.gz PSBHPEZOIRUAID-UHFFFAOYSA-N 0 0 398.812 4.443 40 0 GIABRN Cc1cc(NC(=O)c2ccc(Br)o2)ccc1-c1ccc(CO)o1 ZINC000020139796 570242378 /nfs/dbraw/zinc/24/23/78/570242378.db2.gz AOTUVHMRTJCKDF-UHFFFAOYSA-N 0 0 376.206 4.355 40 0 GIABRN CCCOc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)c1 ZINC000020141501 570242644 /nfs/dbraw/zinc/24/26/44/570242644.db2.gz YEDTYZMXYBODAJ-UHFFFAOYSA-N 0 0 381.428 4.489 40 0 GIABRN COc1cc(NC(=O)COc2ccccc2Cl)ccc1-c1ccc(CO)o1 ZINC000020144589 570243734 /nfs/dbraw/zinc/24/37/34/570243734.db2.gz PKLIOINYZHVWAA-UHFFFAOYSA-N 0 0 387.819 4.118 40 0 GIABRN Cc1cc(NC(=S)NC(=O)c2cccc(F)c2)ccc1-c1ccc(CO)o1 ZINC000020151880 570244407 /nfs/dbraw/zinc/24/44/07/570244407.db2.gz HERRUQUKEWKRMY-UHFFFAOYSA-N 0 0 384.432 4.013 40 0 GIABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)c1 ZINC000020528836 570253679 /nfs/dbraw/zinc/25/36/79/570253679.db2.gz QHBDJQYTTJQQKR-CYBMUJFWSA-N 0 0 393.472 4.282 40 0 GIABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)c1 ZINC000020451888 570257510 /nfs/dbraw/zinc/25/75/10/570257510.db2.gz FUNARVUAPCPBQY-NRFANRHFSA-N 0 0 380.532 4.345 40 0 GIABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1C ZINC000020456333 570259158 /nfs/dbraw/zinc/25/91/58/570259158.db2.gz OVBVZMZGGJYEEQ-GOSISDBHSA-N 0 0 380.488 4.336 40 0 GIABRN COc1ccc(CN(C)C(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1OC ZINC000020484656 570262068 /nfs/dbraw/zinc/26/20/68/570262068.db2.gz FYSGIRUAAYWXMA-CYBMUJFWSA-N 0 0 379.909 4.496 40 0 GIABRN Cc1cccnc1Nc1cc([C@@H]2CCN2C(=O)/C=C/c2ccccc2)nc(C)n1 ZINC000585292900 570262900 /nfs/dbraw/zinc/26/29/00/570262900.db2.gz UFDYYNULUBIMCN-CFGKVWFZSA-N 0 0 385.471 4.219 40 0 GIABRN O=C(c1ccccc1)N(C(=O)c1ccccc1)c1cc(Br)ccn1 ZINC000098175389 570263440 /nfs/dbraw/zinc/26/34/40/570263440.db2.gz ULQYXEKKNIYQBR-UHFFFAOYSA-N 0 0 381.229 4.331 40 0 GIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000020493521 570263561 /nfs/dbraw/zinc/26/35/61/570263561.db2.gz YCDAKRUCVRFNQW-CZUORRHYSA-N 0 0 377.868 4.392 40 0 GIABRN O=C(NC[C@H]1CC[C@H](c2nnc(-c3cccnc3)o2)CC1)c1cccc(F)c1F ZINC000100155865 570267858 /nfs/dbraw/zinc/26/78/58/570267858.db2.gz FWCFNCAKYNGNCD-OKILXGFUSA-N 0 0 398.413 4.114 40 0 GIABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NS(=O)(=O)c1ccccc1 ZINC000020610992 570272168 /nfs/dbraw/zinc/27/21/68/570272168.db2.gz NGSDISBPYUNHBT-UHFFFAOYSA-N 0 0 398.875 4.183 40 0 GIABRN COc1ccc(-n2nc(C)c3c2C[C@@H](c2ccc(OC)c(OC)c2)CC3=O)cc1 ZINC000020633137 570273234 /nfs/dbraw/zinc/27/32/34/570273234.db2.gz HWYALZRYCNMUML-MRXNPFEDSA-N 0 0 392.455 4.119 40 0 GIABRN Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)c3cscn3)CC2)n1 ZINC000100738846 570275683 /nfs/dbraw/zinc/27/56/83/570275683.db2.gz UWDLHUOPYJLNLQ-WOVMCDHWSA-N 0 0 393.516 4.007 40 0 GIABRN Cc1nc(C)n([C@H](C)Cc2cc(=O)n3nc(-c4cccc(Cl)c4)c(C)c3[nH]2)n1 ZINC000100776245 570277769 /nfs/dbraw/zinc/27/77/69/570277769.db2.gz KIVGLNFVQARRRJ-LLVKDONJSA-N 0 0 396.882 4.076 40 0 GIABRN COc1ccc([C@H]2CC(=O)[C@@H]3C(C)=Nc4ccccc4N[C@H]3C2)c(OC)c1OC ZINC000100855761 570278662 /nfs/dbraw/zinc/27/86/62/570278662.db2.gz FNGFKBLYDOQYFO-YMTYPPQLSA-N 0 0 394.471 4.362 40 0 GIABRN O=C(Nc1nc([C@@H]2CCCN2Cc2cn[nH]c2)cs1)c1cccc(Cl)c1 ZINC000585295405 570279804 /nfs/dbraw/zinc/27/98/04/570279804.db2.gz YKSRIVWROIVKMM-INIZCTEOSA-N 0 0 387.896 4.109 40 0 GIABRN Cc1ccccc1OCC(=O)Nc1cc2nn(-c3ccc(F)cc3)nc2cc1C ZINC000020611154 570280602 /nfs/dbraw/zinc/28/06/02/570280602.db2.gz CUMAGOPNCDXHSF-UHFFFAOYSA-N 0 0 390.418 4.194 40 0 GIABRN O=C(NCc1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000020612144 570280864 /nfs/dbraw/zinc/28/08/64/570280864.db2.gz JCKWWYUDBJYCDK-UHFFFAOYSA-N 0 0 391.298 4.162 40 0 GIABRN CC1(C)CC(=O)c2cc(C(=O)Nc3ccc(Cl)cc3Cl)c(=O)[nH]c2C1 ZINC000020801005 570281203 /nfs/dbraw/zinc/28/12/03/570281203.db2.gz COIONBPTULPQHX-UHFFFAOYSA-N 0 0 379.243 4.089 40 0 GIABRN Cc1ccc(-c2nnc3n2c2ccccc2c(=O)n3Cc2ccc(F)cc2)s1 ZINC000006781216 570284012 /nfs/dbraw/zinc/28/40/12/570284012.db2.gz MZWKKEYDLMBQFG-UHFFFAOYSA-N 0 0 390.443 4.269 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2CC)c(Cl)c1 ZINC000216309396 570298700 /nfs/dbraw/zinc/29/87/00/570298700.db2.gz BUZWXCOHVYUQFM-ZDUSSCGKSA-N 0 0 375.852 4.485 40 0 GIABRN Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3Cl)o2)cc1 ZINC000003364806 570300224 /nfs/dbraw/zinc/30/02/24/570300224.db2.gz AVMJFXULROWLCF-UHFFFAOYSA-N 0 0 389.864 4.341 40 0 GIABRN COc1ccc(-c2oc3ccccc3c(=O)c2I)cc1 ZINC000021997112 570301201 /nfs/dbraw/zinc/30/12/01/570301201.db2.gz DMDLGTMNVVNPJU-UHFFFAOYSA-N 0 0 378.165 4.073 40 0 GIABRN Cc1c(C(N)=O)c2ccccc2n1C(=O)COc1c(C)cc(Cl)cc1Cl ZINC000216869760 570308691 /nfs/dbraw/zinc/30/86/91/570308691.db2.gz PBWFBERGISBVRM-UHFFFAOYSA-N 0 0 391.254 4.383 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cnc(N3CCCCC3)cc2C)cc1 ZINC000072219229 570318232 /nfs/dbraw/zinc/31/82/32/570318232.db2.gz IUIGOTRLYZFVIT-OAQYLSRUSA-N 0 0 399.560 4.215 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N3CCCCC3)nc2C)cc1 ZINC000072219289 570318297 /nfs/dbraw/zinc/31/82/97/570318297.db2.gz ZACSNJBARZLKOZ-OAQYLSRUSA-N 0 0 399.560 4.215 40 0 GIABRN N[C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000072227825 570319279 /nfs/dbraw/zinc/31/92/79/570319279.db2.gz VEVFCEWGFLLVMR-KGLIPLIRSA-N 0 0 375.177 4.427 40 0 GIABRN CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc(OC)c2)cc1OCC ZINC000022521686 570319836 /nfs/dbraw/zinc/31/98/36/570319836.db2.gz GYEKZWWLUHVVJQ-JKSUJKDBSA-N 0 0 387.476 4.137 40 0 GIABRN CCOc1ccc(CNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1OCC ZINC000022526202 570320406 /nfs/dbraw/zinc/32/04/06/570320406.db2.gz XCNYWQXLZCSOHO-SFHVURJKSA-N 0 0 385.504 4.493 40 0 GIABRN Cc1ccc(-n2ccc3nc4ncnn4c(-c4ccccc4)c3c2=O)c(Cl)c1 ZINC000022607908 570322936 /nfs/dbraw/zinc/32/29/36/570322936.db2.gz GTZHDCVOLSOFMJ-UHFFFAOYSA-N 0 0 387.830 4.057 40 0 GIABRN COc1ccc2nc3sc(C(=O)Nc4nc(C)c(C)s4)c(N)c3cc2c1 ZINC000035311212 570323902 /nfs/dbraw/zinc/32/39/02/570323902.db2.gz YUQOAOVIXCKRMO-UHFFFAOYSA-N 0 0 384.486 4.366 40 0 GIABRN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCC2=CCCCC2)c1 ZINC000022651299 570324249 /nfs/dbraw/zinc/32/42/49/570324249.db2.gz QZQNFNYVLALHQX-UHFFFAOYSA-N 0 0 398.528 4.132 40 0 GIABRN O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000048582249 570326976 /nfs/dbraw/zinc/32/69/76/570326976.db2.gz PPUFDFLVQIPGMY-UHFFFAOYSA-N 0 0 394.858 4.174 40 0 GIABRN CCc1ccc(N(CCCC(=O)Nc2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000113961803 570336836 /nfs/dbraw/zinc/33/68/36/570336836.db2.gz KYUABBCGAHEPFU-UHFFFAOYSA-N 0 0 388.533 4.051 40 0 GIABRN O=C(c1cccc(-c2ccc(C[C@H]3CCCNC3=O)cc2)c1)N1CCCCC1 ZINC000072356255 570339372 /nfs/dbraw/zinc/33/93/72/570339372.db2.gz YCSVDCSTRAGVCB-OAQYLSRUSA-N 0 0 376.500 4.048 40 0 GIABRN COc1cc(CNC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OC(C)C ZINC000218930770 570343845 /nfs/dbraw/zinc/34/38/45/570343845.db2.gz BFAOWSSZHIBGKE-UHFFFAOYSA-N 0 0 385.504 4.475 40 0 GIABRN Cc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cccc4ccccc43)n2)cc1 ZINC000219048573 570346915 /nfs/dbraw/zinc/34/69/15/570346915.db2.gz DWICFBUESSEYPE-MRXNPFEDSA-N 0 0 387.439 4.282 40 0 GIABRN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(CN3CCCC3=O)cc1)CC(C)(C)O2 ZINC000219231499 570349951 /nfs/dbraw/zinc/34/99/51/570349951.db2.gz ZVCCBHNIXOZMNZ-FQEVSTJZSA-N 0 0 392.499 4.150 40 0 GIABRN COc1ccc2c(c1)[C@H](NC(=O)CCc1ccc(OC)c(OC)c1)CC(C)(C)O2 ZINC000219282010 570350888 /nfs/dbraw/zinc/35/08/88/570350888.db2.gz AIMMICCHNPZGGV-GOSISDBHSA-N 0 0 399.487 4.064 40 0 GIABRN CC[C@@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000219292945 570351696 /nfs/dbraw/zinc/35/16/96/570351696.db2.gz LRTZBNWXKCHSPK-SUMWQHHRSA-N 0 0 377.868 4.392 40 0 GIABRN Cc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3cc(C)cc(C)c3C)n2)c1 ZINC000219303831 570352723 /nfs/dbraw/zinc/35/27/23/570352723.db2.gz HUCDQEMBWARXMB-KRWDZBQOSA-N 0 0 379.460 4.054 40 0 GIABRN CC[C@H](Oc1ccccc1Cl)C(=O)NCc1nc(-c2ccc(C)cc2)no1 ZINC000219322362 570354699 /nfs/dbraw/zinc/35/46/99/570354699.db2.gz XQKDAANGNGSGHP-INIZCTEOSA-N 0 0 385.851 4.172 40 0 GIABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1nc(-c2cccc(C)c2)no1 ZINC000219325486 570354812 /nfs/dbraw/zinc/35/48/12/570354812.db2.gz GTXPBQHJNPPASX-KRWDZBQOSA-N 0 0 385.851 4.172 40 0 GIABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000219335175 570355456 /nfs/dbraw/zinc/35/54/56/570355456.db2.gz IAMKGFSWWWMUCI-MRXNPFEDSA-N 0 0 385.489 4.231 40 0 GIABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000219333781 570355570 /nfs/dbraw/zinc/35/55/70/570355570.db2.gz BNEHHNYSQWMTBL-SFHVURJKSA-N 0 0 399.878 4.481 40 0 GIABRN COc1ccc(NC(=O)CCCN2c3cccc4cccc(c34)C2=O)c(OC)c1 ZINC000219453362 570362107 /nfs/dbraw/zinc/36/21/07/570362107.db2.gz ZHHRWKLIDYKQBM-UHFFFAOYSA-N 0 0 390.439 4.236 40 0 GIABRN CCOc1ccc(CNC(=O)CCCN2c3cccc4cccc(c34)C2=O)cc1 ZINC000219468490 570363792 /nfs/dbraw/zinc/36/37/92/570363792.db2.gz KWRDLCUQGYASKV-UHFFFAOYSA-N 0 0 388.467 4.295 40 0 GIABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccccc1C ZINC000408618690 570365320 /nfs/dbraw/zinc/36/53/20/570365320.db2.gz DZENJRACOXKBSZ-UHFFFAOYSA-N 0 0 393.306 4.201 40 0 GIABRN COc1ccc(Br)cc1N1C(=O)c2cccc3cccc(c32)C1=O ZINC000006441649 570365329 /nfs/dbraw/zinc/36/53/29/570365329.db2.gz HVMZTULTBRMNLT-UHFFFAOYSA-N 0 0 382.213 4.412 40 0 GIABRN Cc1cccnc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000408618605 570365380 /nfs/dbraw/zinc/36/53/80/570365380.db2.gz DOEKQVQGKRWBBN-UHFFFAOYSA-N 0 0 377.469 4.096 40 0 GIABRN Cc1ccc(O[C@@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c(C)c1 ZINC000219537130 570365849 /nfs/dbraw/zinc/36/58/49/570365849.db2.gz HOKRSKMMYGTCIX-AWEZNQCLSA-N 0 0 385.851 4.091 40 0 GIABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(F)cc1F ZINC000408619758 570370090 /nfs/dbraw/zinc/37/00/90/570370090.db2.gz HHFIZMTUJCZYKP-UHFFFAOYSA-N 0 0 391.226 4.407 40 0 GIABRN CC(C)Oc1ccc(C(=O)Nc2ccc(I)cc2F)cc1 ZINC000408621347 570370724 /nfs/dbraw/zinc/37/07/24/570370724.db2.gz LVLDAJOUCYXPOE-UHFFFAOYSA-N 0 0 399.203 4.470 40 0 GIABRN Cc1ccc(C)c(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)c1 ZINC000408627494 570379943 /nfs/dbraw/zinc/37/99/43/570379943.db2.gz MZMRHTAWEQEJCC-UHFFFAOYSA-N 0 0 392.480 4.118 40 0 GIABRN CCCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 ZINC000408629043 570381172 /nfs/dbraw/zinc/38/11/72/570381172.db2.gz JOPIPEPOPGLXAA-UHFFFAOYSA-N 0 0 389.883 4.024 40 0 GIABRN CC[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220530450 570388196 /nfs/dbraw/zinc/38/81/96/570388196.db2.gz HFVRVZCWLOUTQI-KRWDZBQOSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@@H](C(=O)Nc1cc(C)ccc1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220557962 570388494 /nfs/dbraw/zinc/38/84/94/570388494.db2.gz USUMTWSZPOMOHR-FQEVSTJZSA-N 0 0 388.533 4.104 40 0 GIABRN C[C@@H](CC[C@H]1CCCO1)OC(=O)CCCCC(=O)O[C@@H](C)CC[C@@H]1CCCO1 ZINC000004684163 570392863 /nfs/dbraw/zinc/39/28/63/570392863.db2.gz WTKXGQXWHJXYJA-LWYYNNOASA-N 0 0 398.540 4.329 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000222399569 570409889 /nfs/dbraw/zinc/40/98/89/570409889.db2.gz AWNSKEYQPBRZPX-IBGZPJMESA-N 0 0 398.572 4.008 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 ZINC000222402330 570409939 /nfs/dbraw/zinc/40/99/39/570409939.db2.gz FRJIPUFETYETMH-QFIPXVFZSA-N 0 0 380.532 4.178 40 0 GIABRN O=C(c1cccs1)[C@@H]1CN(Cc2ccccc2)CC[C@]1(O)c1cccs1 ZINC000054073048 570410746 /nfs/dbraw/zinc/41/07/46/570410746.db2.gz CSELUCAFPBCIKL-LAUBAEHRSA-N 0 0 383.538 4.402 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222442263 570410823 /nfs/dbraw/zinc/41/08/23/570410823.db2.gz WHBFRCXOSCXBBU-CQSZACIVSA-N 0 0 393.314 4.008 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000222457508 570411146 /nfs/dbraw/zinc/41/11/46/570411146.db2.gz VZPSGFHHSAEZGD-HSZRJFAPSA-N 0 0 394.559 4.486 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000222490847 570412684 /nfs/dbraw/zinc/41/26/84/570412684.db2.gz OSYOYAWAHMQMGP-HSZRJFAPSA-N 0 0 394.559 4.486 40 0 GIABRN CC(C)c1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl ZINC000222515070 570413255 /nfs/dbraw/zinc/41/32/55/570413255.db2.gz FTFVUPCIYMKVIG-UHFFFAOYSA-N 0 0 380.897 4.112 40 0 GIABRN COc1ccccc1NC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CC1 ZINC000001364872 570413673 /nfs/dbraw/zinc/41/36/73/570413673.db2.gz ARMKMMMVHRTWMB-UHFFFAOYSA-N 0 0 377.444 4.042 40 0 GIABRN CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc(C)c(OC)cc2C)cc1 ZINC000222540043 570414037 /nfs/dbraw/zinc/41/40/37/570414037.db2.gz AJVYXTFNICUMDW-UHFFFAOYSA-N 0 0 391.489 4.070 40 0 GIABRN CCc1ccc(O[C@@H](CC)C(=O)NCC2(c3ccccc3)CCOCC2)cc1 ZINC000222568512 570414874 /nfs/dbraw/zinc/41/48/74/570414874.db2.gz BQMWQGUZNGZNRL-QFIPXVFZSA-N 0 0 381.516 4.271 40 0 GIABRN COc1cccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1OC(C)C ZINC000222575777 570415062 /nfs/dbraw/zinc/41/50/62/570415062.db2.gz PPWNVTGPKAKARE-ZOCIIQOWSA-N 0 0 383.517 4.467 40 0 GIABRN COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222599795 570416051 /nfs/dbraw/zinc/41/60/51/570416051.db2.gz RBQBGYKQJXGKIV-JHVJFLLYSA-N 0 0 390.512 4.470 40 0 GIABRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccc(C(F)(F)F)c2)C1=O ZINC000007078112 570418023 /nfs/dbraw/zinc/41/80/23/570418023.db2.gz YUZZZDFWUPWRHN-XNFYSYIQSA-N 0 0 387.379 4.083 40 0 GIABRN O=C(CCc1ccc2c(c1)OCO2)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000222641221 570418301 /nfs/dbraw/zinc/41/83/01/570418301.db2.gz JPXDFBHNXXHKQW-UHFFFAOYSA-N 0 0 387.848 4.159 40 0 GIABRN CC[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccc(OC)c(C)c1 ZINC000222658480 570419368 /nfs/dbraw/zinc/41/93/68/570419368.db2.gz MIVAWTHWFHSZMS-QGZVFWFLSA-N 0 0 392.293 4.412 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 ZINC000222682811 570420446 /nfs/dbraw/zinc/42/04/46/570420446.db2.gz TXIDLPMBVHVTME-AWEZNQCLSA-N 0 0 393.314 4.008 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3C[C@@H]3CCCO3)N21 ZINC000222686320 570420779 /nfs/dbraw/zinc/42/07/79/570420779.db2.gz ZTTHKDXAEIIQQI-WOUAJJJCSA-N 0 0 382.533 4.042 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(CCOC)c3C)N21 ZINC000222693932 570421045 /nfs/dbraw/zinc/42/10/45/570421045.db2.gz RFEGYSZMCYBGIJ-LSTHTHJFSA-N 0 0 384.549 4.126 40 0 GIABRN 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[C@@H]32)C1 ZINC000004411316 570421176 /nfs/dbraw/zinc/42/11/76/570421176.db2.gz TVQDBRRFOFGWDS-LQHFQCQCSA-N 0 0 376.537 4.281 40 0 GIABRN C[C@@H](Oc1cccc2ccccc21)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000222701173 570421296 /nfs/dbraw/zinc/42/12/96/570421296.db2.gz ALZWFWWFZLKUQQ-HZPDHXFCSA-N 0 0 377.440 4.256 40 0 GIABRN CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000222729987 570422646 /nfs/dbraw/zinc/42/26/46/570422646.db2.gz YJBCOJAVLRKLMT-MSOLQXFVSA-N 0 0 386.883 4.267 40 0 GIABRN CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC ZINC000222740002 570423199 /nfs/dbraw/zinc/42/31/99/570423199.db2.gz FZUKMVLGSMYKJC-GOSISDBHSA-N 0 0 393.314 4.089 40 0 GIABRN COCCn1c2ccc(C(=O)Nc3ccc(C4CCCCC4)cc3)cc2[nH]c1=O ZINC000005001853 570423254 /nfs/dbraw/zinc/42/32/54/570423254.db2.gz IEWPIMPSWBHNGY-UHFFFAOYSA-N 0 0 393.487 4.276 40 0 GIABRN CCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 ZINC000222739065 570423256 /nfs/dbraw/zinc/42/32/56/570423256.db2.gz YMVVGASDEOCSMD-INIZCTEOSA-N 0 0 380.488 4.111 40 0 GIABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C ZINC000222764681 570424578 /nfs/dbraw/zinc/42/45/78/570424578.db2.gz RIHUVHOQGUBADQ-LEWJYISDSA-N 0 0 376.529 4.400 40 0 GIABRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccco2)c1C ZINC000222775253 570425276 /nfs/dbraw/zinc/42/52/76/570425276.db2.gz CCHGVDUGAHCZSM-WOJBJXKFSA-N 0 0 380.517 4.134 40 0 GIABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 ZINC000222814595 570427298 /nfs/dbraw/zinc/42/72/98/570427298.db2.gz ZOUZUSYYECQKTL-KGLIPLIRSA-N 0 0 382.352 4.287 40 0 GIABRN COc1cccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 ZINC000222824808 570427986 /nfs/dbraw/zinc/42/79/86/570427986.db2.gz HRBFIFKJMNGFGF-NSHDSACASA-N 0 0 389.864 4.273 40 0 GIABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F ZINC000222840561 570428437 /nfs/dbraw/zinc/42/84/37/570428437.db2.gz WBCZZZNUXTYNGA-VQTJNVASSA-N 0 0 380.492 4.392 40 0 GIABRN CCOc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1 ZINC000222892201 570430473 /nfs/dbraw/zinc/43/04/73/570430473.db2.gz SEKWOCQEWFDFHH-HKWRFOASSA-N 0 0 390.439 4.396 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000222921347 570431436 /nfs/dbraw/zinc/43/14/36/570431436.db2.gz MTMSJWDCGKKOOG-QGZVFWFLSA-N 0 0 386.923 4.053 40 0 GIABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000222954046 570432889 /nfs/dbraw/zinc/43/28/89/570432889.db2.gz OTCYLWJZSQVUAC-FQEVSTJZSA-N 0 0 380.488 4.336 40 0 GIABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 ZINC000222950415 570432903 /nfs/dbraw/zinc/43/29/03/570432903.db2.gz YQCXSCICXNAUNM-WOJBJXKFSA-N 0 0 377.517 4.040 40 0 GIABRN COc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)cc2)cc1 ZINC000005277322 570433349 /nfs/dbraw/zinc/43/33/49/570433349.db2.gz ZPTMANKIISQUBS-ZHZULCJRSA-N 0 0 376.412 4.006 40 0 GIABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000222973591 570434293 /nfs/dbraw/zinc/43/42/93/570434293.db2.gz XLQJRJKYILAJPT-KRWDZBQOSA-N 0 0 399.878 4.481 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000222980854 570434868 /nfs/dbraw/zinc/43/48/68/570434868.db2.gz BEOMKOPCCMQUSI-HXUWFJFHSA-N 0 0 380.532 4.180 40 0 GIABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000222984104 570435022 /nfs/dbraw/zinc/43/50/22/570435022.db2.gz UYAHMLRAJOTALK-NRFANRHFSA-N 0 0 380.488 4.336 40 0 GIABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000223005418 570437039 /nfs/dbraw/zinc/43/70/39/570437039.db2.gz HMCCPATZXSGAEF-CYBMUJFWSA-N 0 0 379.909 4.267 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1 ZINC000223041118 570439166 /nfs/dbraw/zinc/43/91/66/570439166.db2.gz XLPIILATABQOAD-FQEVSTJZSA-N 0 0 396.531 4.016 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1C ZINC000223061384 570441155 /nfs/dbraw/zinc/44/11/55/570441155.db2.gz VGILZQVHWJWRQV-NRFANRHFSA-N 0 0 398.572 4.090 40 0 GIABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 ZINC000223075710 570441733 /nfs/dbraw/zinc/44/17/33/570441733.db2.gz WAWYOFURTKCNFV-SFTDATJTSA-N 0 0 398.576 4.397 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C ZINC000223084555 570442157 /nfs/dbraw/zinc/44/21/57/570442157.db2.gz MQVAHGSSHJARJU-OAQYLSRUSA-N 0 0 394.559 4.488 40 0 GIABRN COc1ccc(CCNC(=O)c2ccccc2CCc2ccccc2)cc1OC ZINC000005514360 570444030 /nfs/dbraw/zinc/44/40/30/570444030.db2.gz QBCFJLANFPHTSU-UHFFFAOYSA-N 0 0 389.495 4.462 40 0 GIABRN Cc1ccc(C)c(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223124840 570445080 /nfs/dbraw/zinc/44/50/80/570445080.db2.gz AWFVHOYSVUKNCN-FQEVSTJZSA-N 0 0 394.559 4.220 40 0 GIABRN CC[C@H](NS(=O)(=O)c1cc(OC)ccc1OC)c1ccc2c(c1)CCCC2 ZINC000223130931 570445597 /nfs/dbraw/zinc/44/55/97/570445597.db2.gz QZORSCOCVWNJFH-IBGZPJMESA-N 0 0 389.517 4.012 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1cccc(C)c1 ZINC000223141595 570446424 /nfs/dbraw/zinc/44/64/24/570446424.db2.gz ODXSLMQYHVFYFB-MSOLQXFVSA-N 0 0 384.495 4.009 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F ZINC000223143193 570446708 /nfs/dbraw/zinc/44/67/08/570446708.db2.gz NHYDOVPAPICFLY-SFHVURJKSA-N 0 0 384.495 4.010 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1cc(C)cc(C)c1 ZINC000223141835 570446725 /nfs/dbraw/zinc/44/67/25/570446725.db2.gz AOPOWEWVYPLUMP-MOPGFXCFSA-N 0 0 398.522 4.317 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)c3ccccc3C(=O)c3ccccc3)o2)cc1 ZINC000039749197 570447544 /nfs/dbraw/zinc/44/75/44/570447544.db2.gz LZPFCGCIAPXJJO-UHFFFAOYSA-N 0 0 399.406 4.229 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 ZINC000223175851 570448191 /nfs/dbraw/zinc/44/81/91/570448191.db2.gz BTYIACILRKXCNK-OAQYLSRUSA-N 0 0 396.531 4.096 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1 ZINC000223179850 570448599 /nfs/dbraw/zinc/44/85/99/570448599.db2.gz WEWUHOCMFZMXFE-OAQYLSRUSA-N 0 0 380.532 4.260 40 0 GIABRN CC(C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1F ZINC000223223911 570451078 /nfs/dbraw/zinc/45/10/78/570451078.db2.gz RXUGOJCYCLSJCI-UHFFFAOYSA-N 0 0 394.899 4.489 40 0 GIABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)Nc1cccc2ccccc21 ZINC000005675326 570451141 /nfs/dbraw/zinc/45/11/41/570451141.db2.gz FMVAHXUFGAKJBY-UHFFFAOYSA-N 0 0 380.400 4.288 40 0 GIABRN Cc1ccc(C)c(NC(=O)Cc2sc(Nc3ccccc3Cl)nc2O)c1 ZINC000005721893 570453101 /nfs/dbraw/zinc/45/31/01/570453101.db2.gz FZIWAIYGXCODCO-INIZCTEOSA-N 0 0 387.892 4.396 40 0 GIABRN COc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2cccc3c2CCCC3)cc1 ZINC000035289398 570454090 /nfs/dbraw/zinc/45/40/90/570454090.db2.gz YRFUFWDQKWMUKF-NRFANRHFSA-N 0 0 393.487 4.209 40 0 GIABRN COc1ccccc1NC(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc21 ZINC000035289563 570454854 /nfs/dbraw/zinc/45/48/54/570454854.db2.gz CQPCUVYDLYFGBB-FQEVSTJZSA-N 0 0 389.455 4.483 40 0 GIABRN CCCCCCNC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccccc1 ZINC000005782616 570456510 /nfs/dbraw/zinc/45/65/10/570456510.db2.gz OFMCEHSDCLAWAC-FXBPSFAMSA-N 0 0 380.488 4.163 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1C[C@@H]1CCCO1 ZINC000223303887 570457072 /nfs/dbraw/zinc/45/70/72/570457072.db2.gz CENZMXQLBFTGEW-IOMROCGXSA-N 0 0 396.560 4.150 40 0 GIABRN CCOC(=O)c1ccc2oc(-c3ccc(I)cc3)nc2c1 ZINC000226317464 570459362 /nfs/dbraw/zinc/45/93/62/570459362.db2.gz PUTNNDUWSYAFOG-UHFFFAOYSA-N 0 0 393.180 4.276 40 0 GIABRN CC(C)c1nc2ccccc2c(SCC(=O)c2ccc3c(c2)OCCO3)n1 ZINC000035291574 570460334 /nfs/dbraw/zinc/46/03/34/570460334.db2.gz UNCAJAPNKJKXOD-UHFFFAOYSA-N 0 0 380.469 4.499 40 0 GIABRN Cc1ccc(NC(=S)N2CCC(NC(=O)c3cccc(F)c3)CC2)c(C)c1 ZINC000035291793 570460576 /nfs/dbraw/zinc/46/05/76/570460576.db2.gz OLXAUJKPYPRNER-UHFFFAOYSA-N 0 0 385.508 4.034 40 0 GIABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccs2)cc1 ZINC000223408069 570464425 /nfs/dbraw/zinc/46/44/25/570464425.db2.gz FFXMFWGJIUPBFM-MOPGFXCFSA-N 0 0 381.526 4.324 40 0 GIABRN COCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(Cl)cc2)s1 ZINC000035310905 570465650 /nfs/dbraw/zinc/46/56/50/570465650.db2.gz OHHSTBDWWFGVKC-UHFFFAOYSA-N 0 0 391.855 4.291 40 0 GIABRN CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccc(OC)cc1 ZINC000223442409 570466294 /nfs/dbraw/zinc/46/62/94/570466294.db2.gz UZPSHGPWRXWAGS-SFTDATJTSA-N 0 0 392.528 4.084 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C ZINC000223448295 570466745 /nfs/dbraw/zinc/46/67/45/570466745.db2.gz JYKKMQLOKVWFKL-NRFANRHFSA-N 0 0 398.522 4.399 40 0 GIABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000223488452 570468243 /nfs/dbraw/zinc/46/82/43/570468243.db2.gz PUUWKCXYTDHJIO-RBZLQPHVSA-N 0 0 380.513 4.132 40 0 GIABRN Cc1nc2c(nnn2Cc2ccccc2)c(NCc2ccccc2C(F)(F)F)n1 ZINC000035314873 570469011 /nfs/dbraw/zinc/46/90/11/570469011.db2.gz QBDOUZOOJJLQFR-UHFFFAOYSA-N 0 0 398.392 4.209 40 0 GIABRN CSc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1NC(C)=O ZINC000223513169 570469071 /nfs/dbraw/zinc/46/90/71/570469071.db2.gz HWOSCEPSJAYRLF-UHFFFAOYSA-N 0 0 378.519 4.291 40 0 GIABRN COc1ccccc1N[C@@H](C(=O)NC1CCCC1)c1ccc2ncccc2c1 ZINC000035314904 570469144 /nfs/dbraw/zinc/46/91/44/570469144.db2.gz OLSGPLXLKUHNKK-JOCHJYFZSA-N 0 0 375.472 4.455 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000223551802 570471230 /nfs/dbraw/zinc/47/12/30/570471230.db2.gz IGCOEVGILABFCW-OAQYLSRUSA-N 0 0 394.559 4.222 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C ZINC000223561491 570471549 /nfs/dbraw/zinc/47/15/49/570471549.db2.gz FQTSJABHZRMGJT-NRFANRHFSA-N 0 0 396.531 4.098 40 0 GIABRN NC(=O)c1ccccc1Nc1cccc(-c2cn(CCC3CCCC3)nn2)c1 ZINC000169312798 570472707 /nfs/dbraw/zinc/47/27/07/570472707.db2.gz JVKHKNXEQDIDAW-UHFFFAOYSA-N 0 0 375.476 4.368 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 ZINC000223604655 570473605 /nfs/dbraw/zinc/47/36/05/570473605.db2.gz WPWRIPGDMHRUTI-QFIPXVFZSA-N 0 0 396.531 4.098 40 0 GIABRN COC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)sc2c1CCCC2 ZINC000006251889 570474248 /nfs/dbraw/zinc/47/42/48/570474248.db2.gz ISFUIYUJKIDFIV-LLVKDONJSA-N 0 0 393.892 4.473 40 0 GIABRN COc1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1Br ZINC000006275152 570475432 /nfs/dbraw/zinc/47/54/32/570475432.db2.gz FXMBKKQDVGWXHL-UHFFFAOYSA-N 0 0 399.697 4.238 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(CC)cc1 ZINC000223629807 570475465 /nfs/dbraw/zinc/47/54/65/570475465.db2.gz TZMXWJNZIURJFF-LJQANCHMSA-N 0 0 380.532 4.043 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 ZINC000223653625 570476942 /nfs/dbraw/zinc/47/69/42/570476942.db2.gz QUUSXIODOGMZLM-QFIPXVFZSA-N 0 0 398.522 4.400 40 0 GIABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2nc3ccc(NC(C)=O)cc3o2)cc1 ZINC000006355899 570477769 /nfs/dbraw/zinc/47/77/69/570477769.db2.gz ULKMGNZBRGNDGR-CYBMUJFWSA-N 0 0 381.432 4.317 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F ZINC000223702062 570479638 /nfs/dbraw/zinc/47/96/38/570479638.db2.gz OJJPKNYTTXSFCJ-QFIPXVFZSA-N 0 0 398.522 4.400 40 0 GIABRN CC(C)(C)c1ccccc1OCCNS(=O)(=O)Cc1c(F)cccc1Cl ZINC000223701418 570479774 /nfs/dbraw/zinc/47/97/74/570479774.db2.gz VYIFDULEIUAVKW-UHFFFAOYSA-N 0 0 399.915 4.275 40 0 GIABRN CCOc1ccc2nc(NC(=S)NC(=O)c3ccc(C)cc3C)sc2c1 ZINC000006439805 570480379 /nfs/dbraw/zinc/48/03/79/570480379.db2.gz MCWQGKKQGVAVFZ-UHFFFAOYSA-N 0 0 385.514 4.439 40 0 GIABRN CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccccc1F ZINC000006451396 570480793 /nfs/dbraw/zinc/48/07/93/570480793.db2.gz CVULMOAFPMQBLY-UHFFFAOYSA-N 0 0 384.480 4.452 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)Cc2ccccc2Cl)c(Cl)c1Cl ZINC000223717834 570481195 /nfs/dbraw/zinc/48/11/95/570481195.db2.gz HALPEVVMCMIHGU-UHFFFAOYSA-N 0 0 394.707 4.476 40 0 GIABRN COc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)cc1 ZINC000006525409 570482624 /nfs/dbraw/zinc/48/26/24/570482624.db2.gz RCTGSEYEOFBUHS-ZHZULCJRSA-N 0 0 376.412 4.006 40 0 GIABRN CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(OC)cc1 ZINC000223779160 570484203 /nfs/dbraw/zinc/48/42/03/570484203.db2.gz PKDZZOCILVWOSB-VQTJNVASSA-N 0 0 378.501 4.089 40 0 GIABRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2c(OC)cccc2OC)c1 ZINC000006592831 570484431 /nfs/dbraw/zinc/48/44/31/570484431.db2.gz RGWCUAGCIJAJQG-UHFFFAOYSA-N 0 0 376.840 4.348 40 0 GIABRN CCC1(CC)C[C@@H](NS(=O)(=O)Cc2ccccc2F)c2ccccc2O1 ZINC000223790925 570484705 /nfs/dbraw/zinc/48/47/05/570484705.db2.gz SJEVIRPISWBHCG-GOSISDBHSA-N 0 0 377.481 4.328 40 0 GIABRN C[C@@H](NC(=O)c1cc2c(ccc3ccccc23)o1)c1ccc(S(C)(=O)=O)cc1 ZINC000223849735 570487149 /nfs/dbraw/zinc/48/71/49/570487149.db2.gz KUTMDXOXGCFULU-CQSZACIVSA-N 0 0 393.464 4.481 40 0 GIABRN COc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 ZINC000006736484 570491170 /nfs/dbraw/zinc/49/11/70/570491170.db2.gz XICJWTQQWMSYCT-UHFFFAOYSA-N 0 0 378.819 4.335 40 0 GIABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccs2)cc1 ZINC000223959046 570491783 /nfs/dbraw/zinc/49/17/83/570491783.db2.gz OJKVGLOOPAUVQO-RTBURBONSA-N 0 0 394.525 4.279 40 0 GIABRN CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000030753824 570494771 /nfs/dbraw/zinc/49/47/71/570494771.db2.gz XUAAXRKIVSWJBZ-NRFANRHFSA-N 0 0 394.496 4.369 40 0 GIABRN CCC[C@H](C)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224053625 570496326 /nfs/dbraw/zinc/49/63/26/570496326.db2.gz DWFLUVWNDDVJOD-AWEZNQCLSA-N 0 0 394.924 4.368 40 0 GIABRN CCC(CC)NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000224063611 570496879 /nfs/dbraw/zinc/49/68/79/570496879.db2.gz WYSYPAJPZVQQMK-UHFFFAOYSA-N 0 0 380.897 4.059 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000224073245 570497182 /nfs/dbraw/zinc/49/71/82/570497182.db2.gz LGHAIHXESFFVIF-SFHVURJKSA-N 0 0 398.522 4.399 40 0 GIABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000224085952 570497683 /nfs/dbraw/zinc/49/76/83/570497683.db2.gz GOBQOSABHBHYAA-HXUWFJFHSA-N 0 0 394.559 4.339 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc(C)cc1 ZINC000224094630 570498433 /nfs/dbraw/zinc/49/84/33/570498433.db2.gz FTPUUWRLOWMBDI-NRFANRHFSA-N 0 0 398.572 4.172 40 0 GIABRN COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1ccccc1 ZINC000224092732 570498434 /nfs/dbraw/zinc/49/84/34/570498434.db2.gz HFWOVFNDGAXHSZ-UHFFFAOYSA-N 0 0 390.439 4.485 40 0 GIABRN CCCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000030855237 570498901 /nfs/dbraw/zinc/49/89/01/570498901.db2.gz KHFUUVLWCPQNFX-UHFFFAOYSA-N 0 0 394.924 4.369 40 0 GIABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl ZINC000224109976 570499035 /nfs/dbraw/zinc/49/90/35/570499035.db2.gz CDACKDFUZQPREP-QGZVFWFLSA-N 0 0 386.923 4.072 40 0 GIABRN Cc1cc2oc(=O)cc(C)c2cc1OS(=O)(=O)c1ccc2ccccc2c1 ZINC000006922346 570499126 /nfs/dbraw/zinc/49/91/26/570499126.db2.gz UBZUYPGZUSCGSO-UHFFFAOYSA-N 0 0 380.421 4.331 40 0 GIABRN O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1cccc(Br)c1 ZINC000007069817 570500369 /nfs/dbraw/zinc/50/03/69/570500369.db2.gz WBNYCICTNLMGHU-UHFFFAOYSA-N 0 0 390.212 4.210 40 0 GIABRN COc1ccc(CNC(=O)CSCc2c(F)cccc2Cl)cc1OC ZINC000007094341 570500596 /nfs/dbraw/zinc/50/05/96/570500596.db2.gz QOAUTBUTUOQGJU-UHFFFAOYSA-N 0 0 383.872 4.046 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 ZINC000224165854 570501958 /nfs/dbraw/zinc/50/19/58/570501958.db2.gz RTKNEBQQWCENRS-JOCHJYFZSA-N 0 0 396.531 4.098 40 0 GIABRN Cc1cc(C)n(Cc2ccc(C(=O)NCCOc3ccc(C)c(Cl)c3)cc2)n1 ZINC000224190667 570503078 /nfs/dbraw/zinc/50/30/78/570503078.db2.gz VIKAPGAHFDXANZ-UHFFFAOYSA-N 0 0 397.906 4.319 40 0 GIABRN O=C(CSc1nnc(-c2ccccc2O)o1)Nc1cccc(C(F)(F)F)c1 ZINC000000873473 570503412 /nfs/dbraw/zinc/50/34/12/570503412.db2.gz ZJOYBCRZNQXHBT-UHFFFAOYSA-N 0 0 395.362 4.192 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C ZINC000224216257 570504152 /nfs/dbraw/zinc/50/41/52/570504152.db2.gz WZSJVZPWYUEUFJ-JOCHJYFZSA-N 0 0 380.532 4.098 40 0 GIABRN COc1ccc(C)cc1NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1 ZINC000224267582 570506719 /nfs/dbraw/zinc/50/67/19/570506719.db2.gz JEDTXKZTABKPGA-ZHZULCJRSA-N 0 0 390.439 4.315 40 0 GIABRN COc1ccc([C@H]2c3cc4c(cc3O[C@H](N3CCCCC3)[C@@H]2C)OCO4)cc1 ZINC000031860887 570507026 /nfs/dbraw/zinc/50/70/26/570507026.db2.gz OFWNMZRXUNSPIH-QABPDZFRSA-N 0 0 381.472 4.396 40 0 GIABRN Cc1cccc([C@H]2C[C@@]3(CC(C)(C)NC(=S)N3)Oc3c(C)c(O)ccc32)c1 ZINC000000881926 570507898 /nfs/dbraw/zinc/50/78/98/570507898.db2.gz SLLNBTHOSAZHHL-VGSWGCGISA-N 0 0 382.529 4.266 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3ccccc3)ccc2C)cc1 ZINC000224304383 570508221 /nfs/dbraw/zinc/50/82/21/570508221.db2.gz ZGYDBBPZGSRDBO-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN CCOc1ccc([C@H](NC(=O)c2ccc(C)cc2)n2nnc3ccccc32)cc1 ZINC000000885415 570509946 /nfs/dbraw/zinc/50/99/46/570509946.db2.gz RSWBPXUDQTYMGF-JOCHJYFZSA-N 0 0 386.455 4.115 40 0 GIABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C ZINC000224396212 570511898 /nfs/dbraw/zinc/51/18/98/570511898.db2.gz DLBYVZXKAHWPOX-VQTJNVASSA-N 0 0 380.492 4.353 40 0 GIABRN O=C(CSc1nnc(-c2ccccc2O)o1)Nc1ccc(Cl)c(Cl)c1 ZINC000000892259 570512133 /nfs/dbraw/zinc/51/21/33/570512133.db2.gz SHQJKLOIFQWNGT-UHFFFAOYSA-N 0 0 396.255 4.480 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COCC)c2)cc1 ZINC000224408791 570512312 /nfs/dbraw/zinc/51/23/12/570512312.db2.gz WOQQQUDGBKMJCL-UHFFFAOYSA-N 0 0 385.460 4.441 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000032649046 570513223 /nfs/dbraw/zinc/51/32/23/570513223.db2.gz MROWTVPRGSCCNM-UHFFFAOYSA-N 0 0 381.472 4.330 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COCC(C)C)c2)cc1 ZINC000224451656 570513594 /nfs/dbraw/zinc/51/35/94/570513594.db2.gz PZKZFOYXPLOQNN-UHFFFAOYSA-N 0 0 385.460 4.297 40 0 GIABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccc(OC)cc1 ZINC000224475017 570514811 /nfs/dbraw/zinc/51/48/11/570514811.db2.gz BOVCPHBLYIDZHM-GOSISDBHSA-N 0 0 379.909 4.415 40 0 GIABRN Brc1ccc2nc(-c3cccs3)c(NC[C@@H]3CCCO3)n2c1 ZINC000000904319 570515151 /nfs/dbraw/zinc/51/51/51/570515151.db2.gz VGORKQFGGLTDML-LBPRGKRZSA-N 0 0 378.295 4.416 40 0 GIABRN COc1cccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1 ZINC000224530620 570516596 /nfs/dbraw/zinc/51/65/96/570516596.db2.gz JFMKWEBOHYNFER-UHFFFAOYSA-N 0 0 397.456 4.140 40 0 GIABRN Cc1cccc2cc(CN(C(=S)NCc3ccco3)C3CCCC3)c(=O)[nH]c12 ZINC000000907820 570517321 /nfs/dbraw/zinc/51/73/21/570517321.db2.gz HATDYIPYDZAGOA-UHFFFAOYSA-N 0 0 395.528 4.249 40 0 GIABRN CCOc1cccc(N(C)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 ZINC000224629025 570521091 /nfs/dbraw/zinc/52/10/91/570521091.db2.gz UCOUFDRLBKMWBC-UHFFFAOYSA-N 0 0 390.288 4.226 40 0 GIABRN CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224625552 570521170 /nfs/dbraw/zinc/52/11/70/570521170.db2.gz JSCUXVMJHMUVDR-UHFFFAOYSA-N 0 0 396.242 4.495 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl ZINC000224662357 570522991 /nfs/dbraw/zinc/52/29/91/570522991.db2.gz JDONALXODQJVEC-KRWDZBQOSA-N 0 0 386.923 4.216 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 ZINC000224658505 570523113 /nfs/dbraw/zinc/52/31/13/570523113.db2.gz RALFOLIJFRHCJL-IBGZPJMESA-N 0 0 398.572 4.253 40 0 GIABRN CCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1COC ZINC000224685469 570524253 /nfs/dbraw/zinc/52/42/53/570524253.db2.gz RQKPXJXBLDUTBS-UHFFFAOYSA-N 0 0 382.229 4.386 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 ZINC000224743034 570528586 /nfs/dbraw/zinc/52/85/86/570528586.db2.gz XJXWOPKOYCGMJW-IBGZPJMESA-N 0 0 398.572 4.421 40 0 GIABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)o2)c1 ZINC000224826991 570532834 /nfs/dbraw/zinc/53/28/34/570532834.db2.gz FDIXEHFOFOBQDK-WOJBJXKFSA-N 0 0 395.484 4.177 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C ZINC000224846906 570533854 /nfs/dbraw/zinc/53/38/54/570533854.db2.gz REJIABHSXLPNHS-KRWDZBQOSA-N 0 0 386.923 4.134 40 0 GIABRN CC[C@H]1CCCCN1C(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000000918099 570534379 /nfs/dbraw/zinc/53/43/79/570534379.db2.gz IRCTUQASRHKMBD-LBPRGKRZSA-N 0 0 392.381 4.413 40 0 GIABRN COc1ccc(CN(C)C(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1OC ZINC000224897553 570536856 /nfs/dbraw/zinc/53/68/56/570536856.db2.gz XRTSLVFGZFNMJB-INIZCTEOSA-N 0 0 383.488 4.009 40 0 GIABRN CCc1ccccc1NC(=O)CSc1nnc2c3c(C)c(C)sc3ncn12 ZINC000000925325 570538256 /nfs/dbraw/zinc/53/82/56/570538256.db2.gz IWSANRFRMLWDMK-UHFFFAOYSA-N 0 0 397.529 4.249 40 0 GIABRN CCCNC(=O)c1nc(-c2ccc(Br)cc2)n(-c2ccc(C)cc2)n1 ZINC000008476293 570538382 /nfs/dbraw/zinc/53/83/82/570538382.db2.gz CQLSRGSNBLACEY-UHFFFAOYSA-N 0 0 399.292 4.145 40 0 GIABRN CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224931792 570538689 /nfs/dbraw/zinc/53/86/89/570538689.db2.gz BWTVNZYYKSMXNJ-UHFFFAOYSA-N 0 0 390.288 4.226 40 0 GIABRN COc1ccc2cc(C)c3nnc(SCC(=O)N4[C@H](C)CCC[C@H]4C)n3c2c1 ZINC000000928424 570539323 /nfs/dbraw/zinc/53/93/23/570539323.db2.gz RWLLJJUGIQNWIN-HUUCEWRRSA-N 0 0 398.532 4.081 40 0 GIABRN CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1C ZINC000224950235 570539631 /nfs/dbraw/zinc/53/96/31/570539631.db2.gz CXSMYNULVKJBGY-MRXNPFEDSA-N 0 0 381.472 4.457 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1 ZINC000224995787 570542190 /nfs/dbraw/zinc/54/21/90/570542190.db2.gz JCHBDLHRFHQDDA-UXHICEINSA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cccc(C)c1C ZINC000225009862 570543022 /nfs/dbraw/zinc/54/30/22/570543022.db2.gz GQHYQOSEJKSJDN-UYAOXDASSA-N 0 0 396.531 4.014 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccco2)N1CCCNc1ccccc1 ZINC000225033203 570544507 /nfs/dbraw/zinc/54/45/07/570544507.db2.gz SWBUZKFUYRLNTK-VQTJNVASSA-N 0 0 378.501 4.149 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1C ZINC000225052155 570545245 /nfs/dbraw/zinc/54/52/45/570545245.db2.gz UEDRZNRTRQNNOH-VQTJNVASSA-N 0 0 380.532 4.178 40 0 GIABRN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nnc(SCc2ccccc2)s1 ZINC000034870674 570545666 /nfs/dbraw/zinc/54/56/66/570545666.db2.gz XVKBACLSWXLMGO-VQHVLOKHSA-N 0 0 397.481 4.211 40 0 GIABRN COC(=O)c1cc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)ccc1Cl ZINC000225063505 570546226 /nfs/dbraw/zinc/54/62/26/570546226.db2.gz ROFFCHCRPXACRP-GOSISDBHSA-N 0 0 395.908 4.192 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1 ZINC000225089511 570547981 /nfs/dbraw/zinc/54/79/81/570547981.db2.gz OBDPSPIINPVLAP-UXHICEINSA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F ZINC000225092881 570548490 /nfs/dbraw/zinc/54/84/90/570548490.db2.gz SUJUDQPMFJRRRR-QZTJIDSGSA-N 0 0 384.495 4.009 40 0 GIABRN CC(C)(C)SCCNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000225099784 570548785 /nfs/dbraw/zinc/54/87/85/570548785.db2.gz ICHXUMWDIVCAFZ-VKAVYKQESA-N 0 0 388.558 4.167 40 0 GIABRN COc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)c2cccc(F)c2)cc1 ZINC000035758957 570549371 /nfs/dbraw/zinc/54/93/71/570549371.db2.gz NAFKKCUTMUPUDT-UHFFFAOYSA-N 0 0 389.423 4.369 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cccc2c1CCCC2 ZINC000225114194 570549662 /nfs/dbraw/zinc/54/96/62/570549662.db2.gz YQQBGQLEKPKYBN-FQEVSTJZSA-N 0 0 395.499 4.371 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1 ZINC000225128810 570551061 /nfs/dbraw/zinc/55/10/61/570551061.db2.gz ZHMNZOOFTNPSGY-PMACEKPBSA-N 0 0 396.531 4.014 40 0 GIABRN CCn1c(=O)sc2cc(NC(=O)COc3cccc(C(F)(F)F)c3)ccc21 ZINC000225128844 570551115 /nfs/dbraw/zinc/55/11/15/570551115.db2.gz WAYKXNWIQMFFPF-UHFFFAOYSA-N 0 0 396.390 4.119 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c(C)c1C ZINC000225136787 570551535 /nfs/dbraw/zinc/55/15/35/570551535.db2.gz IPFQKXYWCZYNFV-KRWDZBQOSA-N 0 0 389.517 4.201 40 0 GIABRN CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 ZINC000225154600 570552250 /nfs/dbraw/zinc/55/22/50/570552250.db2.gz QIQYMDAPQIAASU-UHFFFAOYSA-N 0 0 398.528 4.129 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 ZINC000225164101 570553057 /nfs/dbraw/zinc/55/30/57/570553057.db2.gz RUVMXTWUZFCSLF-OAQYLSRUSA-N 0 0 398.572 4.421 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000225172206 570553662 /nfs/dbraw/zinc/55/36/62/570553662.db2.gz UDBJOLZHKIMAOQ-SJORKVTESA-N 0 0 386.923 4.215 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N[C@H](C)C(C)C)c2)cc1 ZINC000225215560 570557125 /nfs/dbraw/zinc/55/71/25/570557125.db2.gz HDZQSKXIZZRGJP-CQSZACIVSA-N 0 0 394.924 4.224 40 0 GIABRN Cc1ccc([C@H](C)NC(=O)c2ccc(I)cc2)c(C)c1 ZINC000070140653 570557431 /nfs/dbraw/zinc/55/74/31/570557431.db2.gz UFOIKIKURAPJEX-ZDUSSCGKSA-N 0 0 379.241 4.399 40 0 GIABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000225279566 570560928 /nfs/dbraw/zinc/56/09/28/570560928.db2.gz FRALHJPPHRFHIZ-OALUTQOASA-N 0 0 383.488 4.098 40 0 GIABRN O=C(CSCc1ccc(Cl)cc1Cl)NC[C@@H]1COc2ccccc2O1 ZINC000225278923 570561005 /nfs/dbraw/zinc/56/10/05/570561005.db2.gz UZUJCMWRONCGSX-CQSZACIVSA-N 0 0 398.311 4.183 40 0 GIABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(F)cc2)cc1 ZINC000225278626 570561284 /nfs/dbraw/zinc/56/12/84/570561284.db2.gz CCVMCGZQZUOXMC-MOSHPQCFSA-N 0 0 394.471 4.283 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 ZINC000225271094 570561303 /nfs/dbraw/zinc/56/13/03/570561303.db2.gz SNUCUURQLLLPAH-JOCHJYFZSA-N 0 0 398.522 4.400 40 0 GIABRN C[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccc(F)cc1 ZINC000225292032 570562666 /nfs/dbraw/zinc/56/26/66/570562666.db2.gz FFWSGWKSSZKKMN-KWPCUBQOSA-N 0 0 378.403 4.067 40 0 GIABRN Cc1ccc(-c2nc(N3CCCCC3)sc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000036293491 570562712 /nfs/dbraw/zinc/56/27/12/570562712.db2.gz XDJBUQDUZJNVIN-QGZVFWFLSA-N 0 0 385.533 4.018 40 0 GIABRN Cc1[nH]c2ccc(-c3nnc(SCC(=O)N4CCC[C@@H](C)C4)o3)cc2c1C ZINC000001223291 570564937 /nfs/dbraw/zinc/56/49/37/570564937.db2.gz KMHIPRQCAZUXAA-GFCCVEGCSA-N 0 0 384.505 4.185 40 0 GIABRN COc1cc(C)c(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1C(C)C ZINC000225356647 570566753 /nfs/dbraw/zinc/56/67/53/570566753.db2.gz YJGBRDYCOGRXSR-QGZVFWFLSA-N 0 0 375.534 4.427 40 0 GIABRN CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1 ZINC000225357761 570567191 /nfs/dbraw/zinc/56/71/91/570567191.db2.gz GOJLBOGRZUCRSA-LEWJYISDSA-N 0 0 392.528 4.384 40 0 GIABRN Cc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCC(C)CC2)cc1 ZINC000001330600 570568341 /nfs/dbraw/zinc/56/83/41/570568341.db2.gz DMYSGPNXOWSMGP-JOCHJYFZSA-N 0 0 375.520 4.046 40 0 GIABRN CCN(C(=O)c1cccc(OC)c1OC)c1nnc(-c2ccccc2C)s1 ZINC000001345267 570571860 /nfs/dbraw/zinc/57/18/60/570571860.db2.gz GZQXIBUWLSRNCX-UHFFFAOYSA-N 0 0 383.473 4.197 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CSc1ccccc1 ZINC000225423653 570572433 /nfs/dbraw/zinc/57/24/33/570572433.db2.gz FVLINVHRPWPSTA-OAQYLSRUSA-N 0 0 398.572 4.155 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000225441979 570574565 /nfs/dbraw/zinc/57/45/65/570574565.db2.gz MLMRIGYYZFZCTF-RTWAWAEBSA-N 0 0 394.559 4.302 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000225447599 570574954 /nfs/dbraw/zinc/57/49/54/570574954.db2.gz KVCUKCRICDKFDE-HSZRJFAPSA-N 0 0 394.559 4.222 40 0 GIABRN CCC(=O)N(Cc1ccccc1OC)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000001359364 570575742 /nfs/dbraw/zinc/57/57/42/570575742.db2.gz AEECJAOZISINLG-UHFFFAOYSA-N 0 0 378.472 4.038 40 0 GIABRN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)N1CCCc2ccccc21 ZINC000028831383 570575858 /nfs/dbraw/zinc/57/58/58/570575858.db2.gz BFVGEJURPAEYKE-UHFFFAOYSA-N 0 0 384.892 4.197 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225457547 570576324 /nfs/dbraw/zinc/57/63/24/570576324.db2.gz XMEITLIVSMROEG-RTWAWAEBSA-N 0 0 394.559 4.220 40 0 GIABRN COc1cccc(-c2noc([C@H]3CCCN(C(=O)Nc4ccc(F)cc4)C3)n2)c1 ZINC000001362480 570576411 /nfs/dbraw/zinc/57/64/11/570576411.db2.gz GZSYSXJNSAVMPB-HNNXBMFYSA-N 0 0 396.422 4.296 40 0 GIABRN CCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccn1 ZINC000001362602 570576845 /nfs/dbraw/zinc/57/68/45/570576845.db2.gz MRQAUASNLWEJSD-UHFFFAOYSA-N 0 0 395.532 4.406 40 0 GIABRN COc1cccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 ZINC000001363897 570577703 /nfs/dbraw/zinc/57/77/03/570577703.db2.gz JHEPMGVXBURIHQ-MRXNPFEDSA-N 0 0 397.862 4.418 40 0 GIABRN CC(C)OC(=O)c1cc(N)ccc1Nc1ccc(I)cc1 ZINC000225472045 570577714 /nfs/dbraw/zinc/57/77/14/570577714.db2.gz BYBBLFWMBSFJOF-UHFFFAOYSA-N 0 0 396.228 4.182 40 0 GIABRN CCCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1C(C)C ZINC000001364245 570578123 /nfs/dbraw/zinc/57/81/23/570578123.db2.gz KJFQTFHPDJBAFN-UHFFFAOYSA-N 0 0 382.917 4.204 40 0 GIABRN Cc1cc(C)c2[nH]c(=O)c(CN(C(=O)Nc3ccccc3F)C3CC3)cc2c1 ZINC000001364773 570578409 /nfs/dbraw/zinc/57/84/09/570578409.db2.gz QXWWGWAJSPJSNN-UHFFFAOYSA-N 0 0 379.435 4.481 40 0 GIABRN Cc1cccc2cc(CN(C(=O)C3CCC3)C3CCCCC3)c3nnnn3c12 ZINC000001376749 570581756 /nfs/dbraw/zinc/58/17/56/570581756.db2.gz COUODMSXDJMANB-UHFFFAOYSA-N 0 0 377.492 4.047 40 0 GIABRN Cc1ccccc1[C@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000038755335 570582339 /nfs/dbraw/zinc/58/23/39/570582339.db2.gz TYGVHZGCYIUBJR-XMMPIXPASA-N 0 0 386.495 4.351 40 0 GIABRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CC ZINC000225514540 570582326 /nfs/dbraw/zinc/58/23/26/570582326.db2.gz BFOUHYOBQFFYOE-OAQYLSRUSA-N 0 0 384.495 4.092 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)CCc2ccccc2)c1 ZINC000225514542 570582340 /nfs/dbraw/zinc/58/23/40/570582340.db2.gz KTVIFYDRUAHWBM-ZDUSSCGKSA-N 0 0 376.909 4.434 40 0 GIABRN COc1cccc(NC(=O)c2sc(NC(=O)/C=C/c3ccccc3)nc2C)c1 ZINC000001379031 570582767 /nfs/dbraw/zinc/58/27/67/570582767.db2.gz SZJQFCCIRSYGBP-VAWYXSNFSA-N 0 0 393.468 4.364 40 0 GIABRN Cc1ccc(CN(C(=O)CCSc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225518075 570583282 /nfs/dbraw/zinc/58/32/82/570583282.db2.gz MMMFLOXMUYOUAK-LJQANCHMSA-N 0 0 398.572 4.419 40 0 GIABRN CCOc1ccccc1NC(=O)N1CCC(n2cnc3cc(F)ccc32)CC1 ZINC000001380319 570583680 /nfs/dbraw/zinc/58/36/80/570583680.db2.gz NIWOPUHRNTUPNH-UHFFFAOYSA-N 0 0 382.439 4.443 40 0 GIABRN CC(C)C[C@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC1CCCCC1 ZINC000001381316 570583873 /nfs/dbraw/zinc/58/38/73/570583873.db2.gz IQHVCHXRXFYVSX-NSHDSACASA-N 0 0 393.336 4.470 40 0 GIABRN O=C(NCc1ccc(F)cc1)[C@H](OC(=O)c1cccs1)c1ccccc1F ZINC000001381269 570583942 /nfs/dbraw/zinc/58/39/42/570583942.db2.gz NNGHNFUUWAWQHN-GOSISDBHSA-N 0 0 387.407 4.241 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 ZINC000225527710 570583965 /nfs/dbraw/zinc/58/39/65/570583965.db2.gz GNVUDGXEYLLUAH-SIKLNZKXSA-N 0 0 380.532 4.260 40 0 GIABRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 ZINC000225536761 570585526 /nfs/dbraw/zinc/58/55/26/570585526.db2.gz RQDACHADGDVJLA-KRWDZBQOSA-N 0 0 386.923 4.215 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F ZINC000225556113 570588042 /nfs/dbraw/zinc/58/80/42/570588042.db2.gz ZCERHIVKMDADDT-XMSQKQJNSA-N 0 0 398.522 4.399 40 0 GIABRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)CC(C)(C)c2ccccc2)cc1C ZINC000225556419 570588073 /nfs/dbraw/zinc/58/80/73/570588073.db2.gz RTXFUKVDGOHINO-KRWDZBQOSA-N 0 0 375.534 4.347 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225570269 570589280 /nfs/dbraw/zinc/58/92/80/570589280.db2.gz GCQHSONCWGXLNH-QGZVFWFLSA-N 0 0 386.923 4.133 40 0 GIABRN O=C(NCCCc1ccccc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225581620 570590899 /nfs/dbraw/zinc/59/08/99/570590899.db2.gz QVZPGKPVORPMCT-UHFFFAOYSA-N 0 0 388.914 4.440 40 0 GIABRN Fc1ccc(CSCCCNC(=S)Nc2ccc3c(c2)OCO3)cc1 ZINC000225614926 570594150 /nfs/dbraw/zinc/59/41/50/570594150.db2.gz AYGCSJSIHBJULZ-UHFFFAOYSA-N 0 0 378.494 4.164 40 0 GIABRN COC(=O)c1cccc(NC(=S)NCCCSCc2ccc(F)cc2)c1 ZINC000225615810 570594864 /nfs/dbraw/zinc/59/48/64/570594864.db2.gz LSEQEWHODCHVJH-UHFFFAOYSA-N 0 0 392.521 4.222 40 0 GIABRN COc1ccc(CCCNC(=S)Nc2cccc(OC(C)C)c2)cc1OC ZINC000225628313 570596098 /nfs/dbraw/zinc/59/60/98/570596098.db2.gz AXJSQWQMNKMABN-UHFFFAOYSA-N 0 0 388.533 4.410 40 0 GIABRN CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 ZINC000225649035 570598051 /nfs/dbraw/zinc/59/80/51/570598051.db2.gz DBFYVWRHVIHFCV-UHFFFAOYSA-N 0 0 399.299 4.093 40 0 GIABRN COc1ccccc1N1CCN(C(=O)c2cc(C(C)C)c(OC)cc2C)CC1 ZINC000225656486 570598963 /nfs/dbraw/zinc/59/89/63/570598963.db2.gz ZLSPVANQBJKAHB-UHFFFAOYSA-N 0 0 382.504 4.098 40 0 GIABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)CC(C)(C)c1ccccc1 ZINC000225677238 570602056 /nfs/dbraw/zinc/60/20/56/570602056.db2.gz COBOKZKUIDTVQD-CQSZACIVSA-N 0 0 381.925 4.383 40 0 GIABRN Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(NC[C@H]2CCCO2)n1 ZINC000040556439 570603489 /nfs/dbraw/zinc/60/34/89/570603489.db2.gz XQDSGYVVXFYFJN-LLVKDONJSA-N 0 0 380.539 4.151 40 0 GIABRN CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21 ZINC000225702563 570606020 /nfs/dbraw/zinc/60/60/20/570606020.db2.gz WSFDEWRZTXBXHA-UHFFFAOYSA-N 0 0 382.894 4.098 40 0 GIABRN CC[C@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000225722453 570608885 /nfs/dbraw/zinc/60/88/85/570608885.db2.gz VEMDGRMARBLSAX-INIZCTEOSA-N 0 0 382.938 4.181 40 0 GIABRN Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(I)cc2)c1 ZINC000040868551 570614207 /nfs/dbraw/zinc/61/42/07/570614207.db2.gz WDOLMYGLGUTKKC-UHFFFAOYSA-N 0 0 395.240 4.234 40 0 GIABRN O=C(CSCc1ccc(Cl)cc1F)Nc1cccc(N2CCCC2=O)c1 ZINC000225778141 570616414 /nfs/dbraw/zinc/61/64/14/570616414.db2.gz YXQKUEORGVDZTH-UHFFFAOYSA-N 0 0 392.883 4.478 40 0 GIABRN CCOC(=O)c1cc(NC(=O)C(C)(C)Br)ccc1O[C@H](C)CC ZINC000225786513 570617201 /nfs/dbraw/zinc/61/72/01/570617201.db2.gz XITJGQXCYJJRFS-LLVKDONJSA-N 0 0 386.286 4.153 40 0 GIABRN C[C@@H](COc1ccccc1)NC(=S)Nc1ccc(Br)cc1F ZINC000225783148 570617204 /nfs/dbraw/zinc/61/72/04/570617204.db2.gz MWIQHOZJRZKSFG-NSHDSACASA-N 0 0 383.286 4.342 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@](C)(CC(C)C)OC)ccc1O[C@H](C)CC ZINC000225793084 570617609 /nfs/dbraw/zinc/61/76/09/570617609.db2.gz YTBYVQWWIMDVOW-VFNWGFHPSA-N 0 0 379.497 4.430 40 0 GIABRN CCCCNC(=S)N(Cc1ccco1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000004132847 570617793 /nfs/dbraw/zinc/61/77/93/570617793.db2.gz OWQKBZOZUCWAQB-UHFFFAOYSA-N 0 0 397.544 4.415 40 0 GIABRN CCOC(=O)c1cc(NC(=O)C2(OC)CCCCC2)ccc1O[C@@H](C)CC ZINC000225805303 570619359 /nfs/dbraw/zinc/61/93/59/570619359.db2.gz CGGLZOCSAFJGML-HNNXBMFYSA-N 0 0 377.481 4.328 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=O)COc2cccc(C(F)(F)F)c2)c1 ZINC000225811886 570620160 /nfs/dbraw/zinc/62/01/60/570620160.db2.gz NOESJHKDZHOUDG-UHFFFAOYSA-N 0 0 381.350 4.208 40 0 GIABRN Cc1ccccc1-c1noc(CCC(=O)Nc2ccc(Br)cc2)n1 ZINC000225815533 570621052 /nfs/dbraw/zinc/62/10/52/570621052.db2.gz MUHDFIZSKLWVDA-UHFFFAOYSA-N 0 0 386.249 4.379 40 0 GIABRN COCCN(C(=O)c1ccc(OC)cc1)c1nc(-c2ccc(OC)cc2)cs1 ZINC000004169365 570621441 /nfs/dbraw/zinc/62/14/41/570621441.db2.gz OISSYLHQJHKBGK-UHFFFAOYSA-N 0 0 398.484 4.121 40 0 GIABRN Fc1ccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)cc1F ZINC000225820913 570621475 /nfs/dbraw/zinc/62/14/75/570621475.db2.gz USFWGUKIBSGFLE-UHFFFAOYSA-N 0 0 380.807 4.155 40 0 GIABRN CCOc1ccc(-c2noc(CNC(=S)Nc3cc(C)ccc3C)n2)cc1 ZINC000225829718 570623199 /nfs/dbraw/zinc/62/31/99/570623199.db2.gz ZPGYARQHBUUJDJ-UHFFFAOYSA-N 0 0 382.489 4.239 40 0 GIABRN CCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1C(=O)OC ZINC000225831369 570623332 /nfs/dbraw/zinc/62/33/32/570623332.db2.gz ZSYLFUCGYIVEFI-VFNWGFHPSA-N 0 0 377.481 4.186 40 0 GIABRN CCCNC(=S)N(Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000004216106 570623355 /nfs/dbraw/zinc/62/33/55/570623355.db2.gz SBQVBDGYELYCPH-UHFFFAOYSA-N 0 0 399.585 4.493 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)ccc1OCC ZINC000225831783 570623487 /nfs/dbraw/zinc/62/34/87/570623487.db2.gz OURVWLJIQVOXNN-BTYIYWSLSA-N 0 0 377.481 4.186 40 0 GIABRN CCc1ccc(NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1 ZINC000225833987 570623884 /nfs/dbraw/zinc/62/38/84/570623884.db2.gz UBJMHKFOVGLULR-UHFFFAOYSA-N 0 0 392.546 4.366 40 0 GIABRN COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1CC(=O)Nc1ccccc1 ZINC000004302146 570624867 /nfs/dbraw/zinc/62/48/67/570624867.db2.gz FUOOFZYISRPLNL-QDSKXPNFSA-N 0 0 394.515 4.002 40 0 GIABRN CCCOC1(C(=O)Nc2ccc(OCC)c(C(=O)OC)c2)CCC(C)CC1 ZINC000225856307 570626797 /nfs/dbraw/zinc/62/67/97/570626797.db2.gz OZEQJTNEKUYYJK-UHFFFAOYSA-N 0 0 377.481 4.186 40 0 GIABRN COc1ccc2cc(S(=O)(=O)NCCCc3ccccc3Cl)ccc2c1 ZINC000225859281 570627872 /nfs/dbraw/zinc/62/78/72/570627872.db2.gz SQVWBCOWAHNZCU-UHFFFAOYSA-N 0 0 389.904 4.413 40 0 GIABRN COc1ccc(NC(=S)NC2(c3ccccn3)CCCC2)c2cccnc12 ZINC000225877348 570629428 /nfs/dbraw/zinc/62/94/28/570629428.db2.gz KYROHGYBBCLHMZ-UHFFFAOYSA-N 0 0 378.501 4.394 40 0 GIABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000225875634 570629435 /nfs/dbraw/zinc/62/94/35/570629435.db2.gz PCYHHULHSJKBNY-MRXNPFEDSA-N 0 0 391.471 4.041 40 0 GIABRN COc1ncc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1C ZINC000225877382 570629534 /nfs/dbraw/zinc/62/95/34/570629534.db2.gz SAOQFBCGQFWBTK-UHFFFAOYSA-N 0 0 395.286 4.392 40 0 GIABRN CCCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCC[C@@H](C)C2)n1 ZINC000225885968 570630394 /nfs/dbraw/zinc/63/03/94/570630394.db2.gz FRLRGZCSUFFBSI-OAHLLOKOSA-N 0 0 385.537 4.202 40 0 GIABRN CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Cc1cccs1 ZINC000004512683 570631822 /nfs/dbraw/zinc/63/18/22/570631822.db2.gz GPZSYRGMHJOVJZ-UHFFFAOYSA-N 0 0 375.881 4.431 40 0 GIABRN CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCOC)nc1 ZINC000225906482 570632783 /nfs/dbraw/zinc/63/27/83/570632783.db2.gz ADTRTBIUAUAXME-UHFFFAOYSA-N 0 0 380.529 4.303 40 0 GIABRN Cc1ccc(CNC(=S)Nc2nc(Cl)cc(N3C[C@H](C)C[C@@H](C)C3)n2)o1 ZINC000225916788 570633013 /nfs/dbraw/zinc/63/30/13/570633013.db2.gz LFSPZPHKFYQWFE-VXGBXAGGSA-N 0 0 393.944 4.000 40 0 GIABRN O=C(CCc1ccc(Cl)cc1Cl)NCc1nc(-c2ccccc2)no1 ZINC000044780798 570634086 /nfs/dbraw/zinc/63/40/86/570634086.db2.gz NCTOTKOOKSHGGG-UHFFFAOYSA-N 0 0 376.243 4.292 40 0 GIABRN COc1ccc(CNC(=S)Nc2nc(C)cc(Oc3ccccc3)n2)cc1 ZINC000225932338 570634225 /nfs/dbraw/zinc/63/42/25/570634225.db2.gz GRNBTRUIMUEFQI-UHFFFAOYSA-N 0 0 380.473 4.073 40 0 GIABRN CCOc1ccccc1CNC(=O)COc1ccc(Cl)cc1Br ZINC000044845416 570634992 /nfs/dbraw/zinc/63/49/92/570634992.db2.gz BQCHXKIZGZGJKS-UHFFFAOYSA-N 0 0 398.684 4.196 40 0 GIABRN COC(=O)c1cc(NC(=O)[C@H](C)Sc2ccc(OC)cc2)ccc1Cl ZINC000044846165 570635209 /nfs/dbraw/zinc/63/52/09/570635209.db2.gz PFKDNKKGQBPWLR-NSHDSACASA-N 0 0 379.865 4.255 40 0 GIABRN CCc1cc2cc3c(cc2nc1SCC(=O)N1CCc2ccccc21)OCO3 ZINC000004849523 570635942 /nfs/dbraw/zinc/63/59/42/570635942.db2.gz OHPVYYQCZIYUAL-UHFFFAOYSA-N 0 0 392.480 4.207 40 0 GIABRN CC(C)c1ccc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1 ZINC000225950722 570635924 /nfs/dbraw/zinc/63/59/24/570635924.db2.gz KLAGQLYPEURCCS-GOSISDBHSA-N 0 0 394.924 4.083 40 0 GIABRN CCc1cc2cc3c(cc2nc1SCC(=O)Nc1cccc(OC)c1)OCO3 ZINC000004849541 570636078 /nfs/dbraw/zinc/63/60/78/570636078.db2.gz YQBHRIARVGBZBD-UHFFFAOYSA-N 0 0 396.468 4.265 40 0 GIABRN O=C(CSc1nc2cccnc2n1Cc1ccccc1)Nc1cccc(F)c1 ZINC000004852640 570637855 /nfs/dbraw/zinc/63/78/55/570637855.db2.gz SJCYLHOVBKEWCQ-UHFFFAOYSA-N 0 0 392.459 4.350 40 0 GIABRN O=C(NCCc1ccccc1)[C@@H](OC(=O)c1cccs1)c1ccc(F)cc1 ZINC000004901776 570638240 /nfs/dbraw/zinc/63/82/40/570638240.db2.gz XEOFXLYZEPUCMH-IBGZPJMESA-N 0 0 383.444 4.144 40 0 GIABRN CCc1ccc2c(c1)c1nnc(SCC(=O)c3ccc(F)cc3)nc1n2C ZINC000004856327 570638294 /nfs/dbraw/zinc/63/82/94/570638294.db2.gz UTFYEDTWPCLMPV-UHFFFAOYSA-N 0 0 380.448 4.193 40 0 GIABRN COc1cccc(O[C@H](C)C(=O)NCCSCc2ccccc2Cl)c1 ZINC000044885472 570639059 /nfs/dbraw/zinc/63/90/59/570639059.db2.gz IYVXSNGVQDAHJU-CQSZACIVSA-N 0 0 379.909 4.166 40 0 GIABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2c(Cl)cccc2Cl)c(Cl)c1 ZINC000044900329 570639907 /nfs/dbraw/zinc/63/99/07/570639907.db2.gz YMSVIUOWMYSOOF-UHFFFAOYSA-N 0 0 393.679 4.271 40 0 GIABRN CC[C@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1[C@H](C)c1ccccc1 ZINC000004860780 570640634 /nfs/dbraw/zinc/64/06/34/570640634.db2.gz ZXCXRRKHGAYQDH-LSDHHAIUSA-N 0 0 398.532 4.463 40 0 GIABRN COCCCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccco1 ZINC000004861161 570640933 /nfs/dbraw/zinc/64/09/33/570640933.db2.gz JVDPROLPASICFR-UHFFFAOYSA-N 0 0 391.880 4.203 40 0 GIABRN COCCN(Cc1cc2cc(C)ccc2nc1Cl)C(=O)c1ccccc1OC ZINC000004880657 570642216 /nfs/dbraw/zinc/64/22/16/570642216.db2.gz ZWBUWOJFAWCORR-UHFFFAOYSA-N 0 0 398.890 4.494 40 0 GIABRN O=C(NC1C[C@H]2CCC[C@@H](C1)N2C(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000004888228 570643249 /nfs/dbraw/zinc/64/32/49/570643249.db2.gz FLWNNCHEZSNOBO-IHWFROFDSA-N 0 0 381.451 4.173 40 0 GIABRN CCOC(=O)c1cc(NC(=O)c2ccc(Cn3ccnc3C)cc2)ccc1Cl ZINC000044939703 570644738 /nfs/dbraw/zinc/64/47/38/570644738.db2.gz MFXHODGOGLSGCA-UHFFFAOYSA-N 0 0 397.862 4.322 40 0 GIABRN Cc1c(C)n(Cc2ccco2)c2ncnc(Nc3ccc4c(c3)OCCO4)c12 ZINC000004934825 570644890 /nfs/dbraw/zinc/64/48/90/570644890.db2.gz FTWOIELCXMIYTB-UHFFFAOYSA-N 0 0 376.416 4.204 40 0 GIABRN COc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2Cl)cc1OC ZINC000045442545 570647000 /nfs/dbraw/zinc/64/70/00/570647000.db2.gz NIYBMJNEIKABDR-LLVKDONJSA-N 0 0 384.259 4.267 40 0 GIABRN Cc1ccc(-n2cccc2C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1C ZINC000033757932 570647336 /nfs/dbraw/zinc/64/73/36/570647336.db2.gz OVXKQNXUBZWECW-XDHOZWIPSA-N 0 0 389.411 4.189 40 0 GIABRN Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(Br)o1 ZINC000059294200 570653519 /nfs/dbraw/zinc/65/35/19/570653519.db2.gz RCLRIEGCHXFZOC-UHFFFAOYSA-N 0 0 389.205 4.448 40 0 GIABRN C[C@@H]1C[C@@H](C)CCN1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000005043620 570658218 /nfs/dbraw/zinc/65/82/18/570658218.db2.gz XYFJGNDRIGZIKX-VLXAULBPSA-N 0 0 396.413 4.397 40 0 GIABRN CCc1ccc2[nH]c3nc(SCc4nnc(-c5ccccc5)o4)nnc3c2c1 ZINC000005444987 570662821 /nfs/dbraw/zinc/66/28/21/570662821.db2.gz NLVUPYACJKOQCK-UHFFFAOYSA-N 0 0 388.456 4.411 40 0 GIABRN CCN(Cc1ccccc1)S(=O)(=O)c1cc(C)c(C)cc1Br ZINC000231424302 570670313 /nfs/dbraw/zinc/67/03/13/570670313.db2.gz AVQOBQXFLCGEON-UHFFFAOYSA-N 0 0 382.323 4.277 40 0 GIABRN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1 ZINC000006681396 570671925 /nfs/dbraw/zinc/67/19/25/570671925.db2.gz WDFQOFDTPSSESE-AWEZNQCLSA-N 0 0 398.509 4.140 40 0 GIABRN O=C(Cc1cccs1)N1C[C@@H]2COc3ccccc3[C@@H]2N1c1ccccc1 ZINC000006674765 570672856 /nfs/dbraw/zinc/67/28/56/570672856.db2.gz UJVHGYXTJSSICR-OPAMFIHVSA-N 0 0 376.481 4.304 40 0 GIABRN Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1cccc(O)c1)S[C@H](C)C(=O)N2 ZINC000006679207 570673492 /nfs/dbraw/zinc/67/34/92/570673492.db2.gz RFDAXSNLIWXUDK-KZULUSFZSA-N 0 0 383.448 4.189 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@@H]3c2cccc(O)c2)cc1 ZINC000006679324 570673629 /nfs/dbraw/zinc/67/36/29/570673629.db2.gz RQUICTHKSDNAPA-ORAYPTAESA-N 0 0 395.484 4.058 40 0 GIABRN CN1C(=O)N/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc32)C1=O ZINC000096860823 570674533 /nfs/dbraw/zinc/67/45/33/570674533.db2.gz AVCWGHXYCWAWRW-XDHOZWIPSA-N 0 0 376.387 4.080 40 0 GIABRN CN(c1ccccc1)S(=O)(=O)c1csc(C(=O)NC2CCCCCC2)c1 ZINC000006681166 570675117 /nfs/dbraw/zinc/67/51/17/570675117.db2.gz XTXXOKUMZMZQLC-UHFFFAOYSA-N 0 0 392.546 4.026 40 0 GIABRN COc1cc(NC(=O)c2cnc(-c3ccccc3)nc2C)c(OC)cc1Cl ZINC000154451161 570684695 /nfs/dbraw/zinc/68/46/95/570684695.db2.gz ZRRJTPYCNYIMDO-UHFFFAOYSA-N 0 0 383.835 4.375 40 0 GIABRN CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1C ZINC000408990631 570689611 /nfs/dbraw/zinc/68/96/11/570689611.db2.gz OHEJNQOQWQAJKU-LJQANCHMSA-N 0 0 399.878 4.426 40 0 GIABRN CCCn1c(Cc2ccccc2)nnc1SCC(=O)N1[C@H](C)CCC[C@H]1C ZINC000409103485 570698438 /nfs/dbraw/zinc/69/84/38/570698438.db2.gz HFIPHELGJVTLNL-IAGOWNOFSA-N 0 0 386.565 4.161 40 0 GIABRN COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc(Cl)c1OC ZINC000260755997 570702881 /nfs/dbraw/zinc/70/28/81/570702881.db2.gz CRWYQJVFDJPHPJ-SSKCKEOISA-N 0 0 389.908 4.342 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccccn3)N21 ZINC000260766237 570704360 /nfs/dbraw/zinc/70/43/60/570704360.db2.gz JKOOCAAOTJKZHR-YSGRDPCXSA-N 0 0 375.501 4.247 40 0 GIABRN O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCOCC1 ZINC000000780594 570709623 /nfs/dbraw/zinc/70/96/23/570709623.db2.gz DFTFDBZTSJXMRZ-UHFFFAOYSA-N 0 0 390.399 4.014 40 0 GIABRN O=C(CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000001796758 570716939 /nfs/dbraw/zinc/71/69/39/570716939.db2.gz LBRALFONZQUVGG-AQHRCUNFSA-N 0 0 382.416 4.057 40 0 GIABRN CC(C)C[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102732057 570720584 /nfs/dbraw/zinc/72/05/84/570720584.db2.gz BIBIMNXLUWFCTR-IPMKNSEASA-N 0 0 384.863 4.065 40 0 GIABRN CCOc1ccc(NC(=O)CSCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000005463915 570732945 /nfs/dbraw/zinc/73/29/45/570732945.db2.gz ZGVMVIWYMWCFKO-UHFFFAOYSA-N 0 0 392.908 4.358 40 0 GIABRN COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)cc1 ZINC000005788784 570735881 /nfs/dbraw/zinc/73/58/81/570735881.db2.gz KADHDZFDTMDTLV-UHFFFAOYSA-N 0 0 389.864 4.053 40 0 GIABRN COc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 ZINC000005902043 570736190 /nfs/dbraw/zinc/73/61/90/570736190.db2.gz QQVRCDHTFMUIOF-GFCCVEGCSA-N 0 0 386.517 4.259 40 0 GIABRN CCOC(=O)c1ccc(Cn2cc(C=O)c3cc(Br)ccc32)cc1 ZINC000005948094 570737091 /nfs/dbraw/zinc/73/70/91/570737091.db2.gz VEIRZWJULOAPAB-UHFFFAOYSA-N 0 0 386.245 4.441 40 0 GIABRN C[C@@H]1CCCCN1C(=O)Cn1cc(C(=O)COc2ccccc2)c2ccccc21 ZINC000006043792 570737705 /nfs/dbraw/zinc/73/77/05/570737705.db2.gz DGGUKAZLCHCVLT-GOSISDBHSA-N 0 0 390.483 4.304 40 0 GIABRN CC(C)Oc1ccc(N2C[C@H](C(=O)Nc3cccc(OC(C)C)c3)CC2=O)cc1 ZINC000006345764 570740829 /nfs/dbraw/zinc/74/08/29/570740829.db2.gz GFDJGYVEGBWXGQ-QGZVFWFLSA-N 0 0 396.487 4.253 40 0 GIABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cccc(F)c2)cc1 ZINC000006630410 570748194 /nfs/dbraw/zinc/74/81/94/570748194.db2.gz ZYYBEIWUMKBGOH-UHFFFAOYSA-N 0 0 378.403 4.244 40 0 GIABRN Cc1cc(C)c(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1 ZINC000006825438 570751861 /nfs/dbraw/zinc/75/18/61/570751861.db2.gz FPAJPGGCNYCMTJ-HNNXBMFYSA-N 0 0 394.924 4.058 40 0 GIABRN CSc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 ZINC000007109652 570756907 /nfs/dbraw/zinc/75/69/07/570756907.db2.gz UZDSFMITEUJQGW-UHFFFAOYSA-N 0 0 398.509 4.462 40 0 GIABRN CCCn1nnnc1NCc1cc(Cl)ccc1OCc1ccccc1F ZINC000007263357 570757258 /nfs/dbraw/zinc/75/72/58/570757258.db2.gz QCXSOAKRELSQLD-UHFFFAOYSA-N 0 0 375.835 4.067 40 0 GIABRN CC[C@H](NS(=O)(=O)c1cc(Br)ccc1OC)c1ccc(C)cc1 ZINC000007308870 570757877 /nfs/dbraw/zinc/75/78/77/570757877.db2.gz CDBMLLHFCOOEGG-HNNXBMFYSA-N 0 0 398.322 4.196 40 0 GIABRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC ZINC000007360666 570758097 /nfs/dbraw/zinc/75/80/97/570758097.db2.gz OCURFGGZHXODHH-UHFFFAOYSA-N 0 0 389.395 4.304 40 0 GIABRN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cc1C ZINC000007388265 570758817 /nfs/dbraw/zinc/75/88/17/570758817.db2.gz ZDMIBAUKUXNSLB-UHFFFAOYSA-N 0 0 393.531 4.250 40 0 GIABRN O=C(c1cccnc1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257212656 570761593 /nfs/dbraw/zinc/76/15/93/570761593.db2.gz CEJKJWXPKMVXPH-KRWDZBQOSA-N 0 0 381.863 4.334 40 0 GIABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3)CC2=O)c(C)c1 ZINC000007928043 570763208 /nfs/dbraw/zinc/76/32/08/570763208.db2.gz TUPUWVPYKPFXSF-CQSZACIVSA-N 0 0 387.277 4.058 40 0 GIABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(F)(F)F)CC2=O)c(C)c1 ZINC000007928068 570763221 /nfs/dbraw/zinc/76/32/21/570763221.db2.gz JCCFGGLGWZQPRG-AWEZNQCLSA-N 0 0 376.378 4.314 40 0 GIABRN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCOC(C)C)cc1 ZINC000008022204 570764906 /nfs/dbraw/zinc/76/49/06/570764906.db2.gz OQAXGTRXSAPYIW-OAQYLSRUSA-N 0 0 393.483 4.388 40 0 GIABRN COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4c[nH]nc4C)C3)c2)cc1 ZINC000257230845 570765160 /nfs/dbraw/zinc/76/51/60/570765160.db2.gz GEDWGDSMVXZZBA-SFHVURJKSA-N 0 0 390.487 4.117 40 0 GIABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=O)COc2ccccc2Cl)cc1 ZINC000008273478 570766301 /nfs/dbraw/zinc/76/63/01/570766301.db2.gz OJMIBGUZBBTYQO-UHFFFAOYSA-N 0 0 383.879 4.299 40 0 GIABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000008273438 570766518 /nfs/dbraw/zinc/76/65/18/570766518.db2.gz HEPPVCRPZSYTAJ-UHFFFAOYSA-N 0 0 383.879 4.299 40 0 GIABRN CCn1nnnc1NCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000008339860 570768205 /nfs/dbraw/zinc/76/82/05/570768205.db2.gz CBNXFLVMKAINSB-UHFFFAOYSA-N 0 0 377.423 4.176 40 0 GIABRN CCn1nnnc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008339953 570768265 /nfs/dbraw/zinc/76/82/65/570768265.db2.gz IXDUXWLEFIMVIP-UHFFFAOYSA-N 0 0 378.263 4.191 40 0 GIABRN CC(=O)Nc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)C(C)C)cc1 ZINC000257247480 570769314 /nfs/dbraw/zinc/76/93/14/570769314.db2.gz IZFJEOBLXCCEPQ-CQANJVQSSA-N 0 0 398.547 4.300 40 0 GIABRN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(I)cc2)c1 ZINC000008495959 570769521 /nfs/dbraw/zinc/76/95/21/570769521.db2.gz OXQCZUJUGMCPIE-CYBMUJFWSA-N 0 0 395.240 4.314 40 0 GIABRN CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)c3cc(C)cs3)CCO2)n1 ZINC000257252132 570770536 /nfs/dbraw/zinc/77/05/36/570770536.db2.gz JTRAPEGBPFRTMK-GOSISDBHSA-N 0 0 397.500 4.191 40 0 GIABRN Cc1cccc(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)n1 ZINC000257253882 570770549 /nfs/dbraw/zinc/77/05/49/570770549.db2.gz KAQRXRCZBVLNHY-QGZVFWFLSA-N 0 0 379.435 4.128 40 0 GIABRN COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4Cl)OCC[C@@]31C2 ZINC000257259184 570771446 /nfs/dbraw/zinc/77/14/46/570771446.db2.gz KXFMAEFBJJTKOH-GETAXMSVSA-N 0 0 391.939 4.375 40 0 GIABRN O=C(NCc1cccs1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 ZINC000257272721 570773538 /nfs/dbraw/zinc/77/35/38/570773538.db2.gz NDNRJOWBFVGABJ-UHFFFAOYSA-N 0 0 392.524 4.466 40 0 GIABRN Cc1ncsc1C(=O)N1CCCC[C@@H]1c1nc(C)cc(-c2c(C)noc2C)n1 ZINC000257271973 570773555 /nfs/dbraw/zinc/77/35/55/570773555.db2.gz NANWCOGNUCMNDD-MRXNPFEDSA-N 0 0 397.504 4.189 40 0 GIABRN COc1cccc(-c2cncc([C@H]3CN(C(=O)CCC4CCCC4)CCO3)n2)c1 ZINC000257273976 570773907 /nfs/dbraw/zinc/77/39/07/570773907.db2.gz NJAGFDSYAZBLOM-JOCHJYFZSA-N 0 0 395.503 4.023 40 0 GIABRN Cc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)c4cnccn4)C3)c2)cc1 ZINC000257275010 570773935 /nfs/dbraw/zinc/77/39/35/570773935.db2.gz NNPDFPYKIMEIIQ-GOSISDBHSA-N 0 0 387.487 4.252 40 0 GIABRN COC(C)(C)C(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257279156 570774865 /nfs/dbraw/zinc/77/48/65/570774865.db2.gz OFFOLOIVRIXNOX-OAHLLOKOSA-N 0 0 376.884 4.050 40 0 GIABRN Cc1cc(C)n(CC(=O)N2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)n1 ZINC000257284693 570775649 /nfs/dbraw/zinc/77/56/49/570775649.db2.gz PDVURPDQODCYRB-IBGZPJMESA-N 0 0 398.894 4.096 40 0 GIABRN CC(C)n1nccc1C(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257286279 570776013 /nfs/dbraw/zinc/77/60/13/570776013.db2.gz PKZZGPCXWGJNRP-SFHVURJKSA-N 0 0 378.476 4.063 40 0 GIABRN Cc1ccnc(Nc2cccc([C@H]3CN(C(=O)C4CCCCC4)CCO3)n2)c1 ZINC000257288413 570776426 /nfs/dbraw/zinc/77/64/26/570776426.db2.gz PUBUPXAVHXHINJ-LJQANCHMSA-N 0 0 380.492 4.009 40 0 GIABRN COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cccnc3)o2)c1 ZINC000257290081 570776586 /nfs/dbraw/zinc/77/65/86/570776586.db2.gz QBMVRMVYHSJYOC-HXUWFJFHSA-N 0 0 377.444 4.036 40 0 GIABRN CCCCC[C@]1(O)CCN(C(=O)c2ccccc2)C[C@@H]1Oc1cccc(F)c1 ZINC000257329246 570782528 /nfs/dbraw/zinc/78/25/28/570782528.db2.gz XJBSTAXQOVAWNN-GMAHTHKFSA-N 0 0 385.479 4.431 40 0 GIABRN CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)C2CC2)CC1 ZINC000257330797 570782984 /nfs/dbraw/zinc/78/29/84/570782984.db2.gz XQBRBOSSNIRKPE-UHFFFAOYSA-N 0 0 390.527 4.051 40 0 GIABRN Cc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C ZINC000010314359 570787335 /nfs/dbraw/zinc/78/73/35/570787335.db2.gz OODJTDLWPMKHJM-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN Cc1ccc(C)c(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 ZINC000010337916 570788800 /nfs/dbraw/zinc/78/88/00/570788800.db2.gz YHPJACJKPJOGCZ-OAHLLOKOSA-N 0 0 394.924 4.058 40 0 GIABRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1c(C)cccc1C)S(C)(=O)=O ZINC000010433896 570790049 /nfs/dbraw/zinc/79/00/49/570790049.db2.gz IITRNIUPGMCKOA-HNNXBMFYSA-N 0 0 394.924 4.058 40 0 GIABRN C[C@@H](OC(=O)/C=C/c1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000012982684 570817781 /nfs/dbraw/zinc/81/77/81/570817781.db2.gz SWPXVCDCIBEVTP-ATUCBATLSA-N 0 0 383.410 4.345 40 0 GIABRN CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000039141799 570837114 /nfs/dbraw/zinc/83/71/14/570837114.db2.gz CEMCPAAFDOVLDW-HXUWFJFHSA-N 0 0 394.471 4.347 40 0 GIABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 ZINC000014002895 570875271 /nfs/dbraw/zinc/87/52/71/570875271.db2.gz XJMMTBAWGAVJPA-SFHVURJKSA-N 0 0 380.488 4.417 40 0 GIABRN Cc1noc2nc(C3CC3)cc(C(=O)Nc3cnn(Cc4ccccc4C)c3)c12 ZINC000036613665 570883459 /nfs/dbraw/zinc/88/34/59/570883459.db2.gz PASBFYSGPKXOKQ-UHFFFAOYSA-N 0 0 387.443 4.214 40 0 GIABRN Cc1cc(O[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc(C)c1Cl ZINC000014398076 570883739 /nfs/dbraw/zinc/88/37/39/570883739.db2.gz KOUCAFNRPBXCKN-SFHVURJKSA-N 0 0 386.923 4.069 40 0 GIABRN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)N[C@@H](C)c1ccnn1CC ZINC000036615852 570886406 /nfs/dbraw/zinc/88/64/06/570886406.db2.gz VPYOCRFUJDKXGZ-AWEZNQCLSA-N 0 0 394.523 4.125 40 0 GIABRN COc1ccc(OC)c(NC(=O)/C=C/c2cc(Br)ccc2OC)c1 ZINC000015082815 570901887 /nfs/dbraw/zinc/90/18/87/570901887.db2.gz JSJYZZLMEPJPRK-RUDMXATFSA-N 0 0 392.249 4.127 40 0 GIABRN CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccccc1Cl ZINC000033553165 570910167 /nfs/dbraw/zinc/91/01/67/570910167.db2.gz LLRBPGJMGPSSBL-UHFFFAOYSA-N 0 0 393.925 4.114 40 0 GIABRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccccc1Cl ZINC000017077081 570916454 /nfs/dbraw/zinc/91/64/54/570916454.db2.gz BWNZUKSIXGJUPR-UHFFFAOYSA-N 0 0 376.799 4.393 40 0 GIABRN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000118929127 570921466 /nfs/dbraw/zinc/92/14/66/570921466.db2.gz HEWMFRQFEUGQOK-CMGLYEGKSA-N 0 0 390.520 4.072 40 0 GIABRN Cc1cc(C)cc(C(=O)N2CCC3(CCN(Cc4cccc(F)c4)C3=O)CC2)c1 ZINC000585099771 570925640 /nfs/dbraw/zinc/92/56/40/570925640.db2.gz OQTYAOZISLHLAT-UHFFFAOYSA-N 0 0 394.490 4.097 40 0 GIABRN Cc1ccc(-c2ccc3c(c2)C2(CN3C(=O)c3ccnn3C)CCOCC2)cc1 ZINC000585105839 570935408 /nfs/dbraw/zinc/93/54/08/570935408.db2.gz SLWGMTXQVMQOQW-UHFFFAOYSA-N 0 0 387.483 4.104 40 0 GIABRN CC(C)CN1Cc2ccccc2CC2(CCN(C(=O)OC3CCCC3)CC2)C1=O ZINC000585105825 570935435 /nfs/dbraw/zinc/93/54/35/570935435.db2.gz QSLXGEMGPYPASX-UHFFFAOYSA-N 0 0 398.547 4.389 40 0 GIABRN COc1ccc(C(SC[C@@H]([NH3+])C(=O)[O-])(c2ccccc2)c2ccccc2)cc1 ZINC000006484227 570938123 /nfs/dbraw/zinc/93/81/23/570938123.db2.gz QAINHNNAIDVCEZ-OAQYLSRUSA-N 0 0 393.508 4.132 40 0 GIABRN Cc1ccccc1C(=O)N1CCC[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 ZINC000306131342 570939943 /nfs/dbraw/zinc/93/99/43/570939943.db2.gz KCEJCFWMCIDHGN-FQEVSTJZSA-N 0 0 397.482 4.120 40 0 GIABRN Cc1ccc(CN2CCO[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)s1 ZINC000306140380 570944850 /nfs/dbraw/zinc/94/48/50/570944850.db2.gz URNQEMXSKYNLIC-OAQYLSRUSA-N 0 0 390.512 4.340 40 0 GIABRN COc1ccccc1CNC(=O)CSCc1ccccc1Br ZINC000020238178 570945055 /nfs/dbraw/zinc/94/50/55/570945055.db2.gz ZGKSKXYARCVVES-UHFFFAOYSA-N 0 0 380.307 4.007 40 0 GIABRN O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2CN(Cc3ccsc3)C[C@@H]21 ZINC000306143936 570946235 /nfs/dbraw/zinc/94/62/35/570946235.db2.gz YRGKKANZQLVBBM-APWZRJJASA-N 0 0 387.551 4.232 40 0 GIABRN COc1cc(-c2nnc(-c3noc4c3C[C@H](C)CC4)o2)ccc1OC(F)F ZINC000002803834 570950534 /nfs/dbraw/zinc/95/05/34/570950534.db2.gz HXXOXPHGOSTVEM-SECBINFHSA-N 0 0 377.347 4.126 40 0 GIABRN Cc1noc(-c2cnc(C)nc2[C@@H]2CCCN2C(=O)Cc2ccc(C)cc2)c1C ZINC000019209540 570959988 /nfs/dbraw/zinc/95/99/88/570959988.db2.gz FXMZKAZLZYHYEK-FQEVSTJZSA-N 0 0 390.487 4.271 40 0 GIABRN CC(=O)N[C@@H](CC(=O)N1CCC[C@H]1c1ccc(C)c(C)c1)c1ccc(F)cc1 ZINC000019213699 570961336 /nfs/dbraw/zinc/96/13/36/570961336.db2.gz YPBIFXMXVJCQFW-VXKWHMMOSA-N 0 0 382.479 4.374 40 0 GIABRN Cc1nc2ccc(C(=O)N3CCC[C@@H]3c3nnc(-c4ccccn4)o3)cc2s1 ZINC000019286567 570969584 /nfs/dbraw/zinc/96/95/84/570969584.db2.gz HAANLMNQOOVZNN-MRXNPFEDSA-N 0 0 391.456 4.027 40 0 GIABRN COc1ccc2oc(C(=O)OCC(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c(C)c2c1 ZINC000004319240 570972365 /nfs/dbraw/zinc/97/23/65/570972365.db2.gz KSDACPVMWHYUGT-IQMFZBJNSA-N 0 0 399.487 4.334 40 0 GIABRN O=C(NC1CC1)c1cc([C@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)no1 ZINC000019292911 570972810 /nfs/dbraw/zinc/97/28/10/570972810.db2.gz NKFNXTFHIDQQMI-ZDUSSCGKSA-N 0 0 394.302 4.253 40 0 GIABRN O=C(CCCOc1ccccc1F)N1CCC(c2cc3ncccc3[nH]2)CC1 ZINC000019350261 570979007 /nfs/dbraw/zinc/97/90/07/570979007.db2.gz WSTAIDRPFYMUHV-UHFFFAOYSA-N 0 0 381.451 4.267 40 0 GIABRN O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000242878993 570985813 /nfs/dbraw/zinc/98/58/13/570985813.db2.gz GKQKHQWNQJRCHU-UHFFFAOYSA-N 0 0 377.271 4.484 40 0 GIABRN COc1ccc([C@H](NC(=O)[C@H](C)n2ccnc2C(C)C)c2ccccc2)cc1 ZINC000019454321 570986539 /nfs/dbraw/zinc/98/65/39/570986539.db2.gz MHLXAUJMUDUQIU-LAUBAEHRSA-N 0 0 377.488 4.482 40 0 GIABRN CC(=O)Oc1cc(C)c2c(c1)O[C@@]1(C[C@@H]2c2ccccc2)CC(C)(C)NC(=O)N1 ZINC000001441342 570987462 /nfs/dbraw/zinc/98/74/62/570987462.db2.gz CPICVDHGSFJJEY-JPYJTQIMSA-N 0 0 394.471 4.013 40 0 GIABRN C[C@H](Cn1cnc2ccccc21)C(=O)NCCc1nc(-c2ccccc2)cs1 ZINC000019457764 570987569 /nfs/dbraw/zinc/98/75/69/570987569.db2.gz PEIVFXGNJXCWBQ-MRXNPFEDSA-N 0 0 390.512 4.155 40 0 GIABRN CCC(=O)N1CC[C@@](Cc2ccccc2-c2cccs2)(C(=O)N(CC)CC)C1 ZINC000019498479 570990906 /nfs/dbraw/zinc/99/09/06/570990906.db2.gz YPVNNZMSMJYUIK-QHCPKHFHSA-N 0 0 398.572 4.455 40 0 GIABRN CCC(=O)N1CC[C@@](Cc2ccc(-c3ccsc3)cc2)(C(=O)NC(C)C)C1 ZINC000019498428 570990995 /nfs/dbraw/zinc/99/09/95/570990995.db2.gz IFANFRQAMVOFRT-QFIPXVFZSA-N 0 0 384.545 4.111 40 0 GIABRN CCC(=O)N1CCC[C@](Cc2cccc(-c3cccs3)c2)(C(=O)N(C)C)C1 ZINC000019498640 570991267 /nfs/dbraw/zinc/99/12/67/570991267.db2.gz CNMNEZGRPYHXPF-JOCHJYFZSA-N 0 0 384.545 4.065 40 0 GIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC(c2cc3ncccc3[nH]2)CC1 ZINC000019499362 570991637 /nfs/dbraw/zinc/99/16/37/570991637.db2.gz ZFSNOCMFPPYCHA-JOCHJYFZSA-N 0 0 393.487 4.135 40 0 GIABRN CCCC(=O)N1CCC[C@](Cc2ccc(-c3ccc(C)cc3)cc2)(C(N)=O)C1 ZINC000019501183 570992426 /nfs/dbraw/zinc/99/24/26/570992426.db2.gz BRTBMLDVARFHKU-XMMPIXPASA-N 0 0 378.516 4.099 40 0 GIABRN CNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CCC2)CC1 ZINC000585166509 570994400 /nfs/dbraw/zinc/99/44/00/570994400.db2.gz WOXXEQUTQRYVCY-UHFFFAOYSA-N 0 0 390.527 4.051 40 0 GIABRN COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2C)ccc1O ZINC000006925057 570997464 /nfs/dbraw/zinc/99/74/64/570997464.db2.gz JEKYBNHMSILYQO-UCFCWBNQSA-N 0 0 395.499 4.218 40 0 GIABRN CCOC(=O)c1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)cc1 ZINC000004852774 570998080 /nfs/dbraw/zinc/99/80/80/570998080.db2.gz GCSZSUAACWSAKM-OXQOHEQNSA-N 0 0 386.835 4.286 40 0 GIABRN CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)CC(C)C)C1 ZINC000019528879 570998091 /nfs/dbraw/zinc/99/80/91/570998091.db2.gz MCYIVCASJVOBFJ-QHCPKHFHSA-N 0 0 398.572 4.359 40 0 GIABRN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3cccnc3)cc2)cc1C ZINC000585177456 570999694 /nfs/dbraw/zinc/99/96/94/570999694.db2.gz PBLRZTJRQMOFAM-UHFFFAOYSA-N 0 0 395.484 4.451 40 0 GIABRN Cc1noc(-c2cnc(C)nc2[C@H]2CCCN2C(=O)Cc2ccc(F)cc2)c1C ZINC000019558438 571004432 /nfs/dbraw/zinc/00/44/32/571004432.db2.gz SYQRDHFNSCSUAD-LJQANCHMSA-N 0 0 394.450 4.102 40 0 GIABRN Cc1noc(-c2cnc(C)nc2[C@@H]2CCCN2C(=O)Cc2cccc(F)c2)c1C ZINC000019558457 571004436 /nfs/dbraw/zinc/00/44/36/571004436.db2.gz UICKLCACKOCFPD-IBGZPJMESA-N 0 0 394.450 4.102 40 0 GIABRN Cc1noc(-c2cnn(C)c2[C@@H]2CCCCN2C(=O)Cc2cccc(F)c2)c1C ZINC000019558704 571004465 /nfs/dbraw/zinc/00/44/65/571004465.db2.gz FILMKBHRBGEXCK-IBGZPJMESA-N 0 0 396.466 4.127 40 0 GIABRN COc1cccc(-c2cc(C(=O)N(Cc3ccncc3)C3CCCCC3)[nH]n2)c1 ZINC000019566562 571008216 /nfs/dbraw/zinc/00/82/16/571008216.db2.gz JMMUFHNRHMRTHF-UHFFFAOYSA-N 0 0 390.487 4.455 40 0 GIABRN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000019568570 571009122 /nfs/dbraw/zinc/00/91/22/571009122.db2.gz KWVVBDNBBWPKMW-ZDUSSCGKSA-N 0 0 381.398 4.446 40 0 GIABRN COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)CC1CCCCC1 ZINC000019570924 571009788 /nfs/dbraw/zinc/00/97/88/571009788.db2.gz ULIPGGVCPOKGDS-HXUWFJFHSA-N 0 0 381.520 4.404 40 0 GIABRN C[C@@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)c1cc(F)cc(F)c1 ZINC000019574262 571011039 /nfs/dbraw/zinc/01/10/39/571011039.db2.gz DGCWABPBNFCHLV-JTQLQIEISA-N 0 0 383.320 4.152 40 0 GIABRN CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)C2CCC2)C1 ZINC000019579728 571012614 /nfs/dbraw/zinc/01/26/14/571012614.db2.gz YNUKWVNNCMYFRG-HSZRJFAPSA-N 0 0 396.556 4.065 40 0 GIABRN COc1ccc2cnc(C3CCN(C(=O)c4cc(C5CC5)n[nH]4)CC3)cc2c1C ZINC000019582695 571013930 /nfs/dbraw/zinc/01/39/30/571013930.db2.gz UYOBGHUEFLCQCF-UHFFFAOYSA-N 0 0 390.487 4.172 40 0 GIABRN COc1ccc2cnc([C@H]3CCCN(C(=O)c4cc(C(C)C)n[nH]4)C3)cc2c1C ZINC000019582652 571013939 /nfs/dbraw/zinc/01/39/39/571013939.db2.gz XOBKGTOESBWCCG-KRWDZBQOSA-N 0 0 392.503 4.418 40 0 GIABRN CN1CCN(C(=O)c2ccccc2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000019589611 571016911 /nfs/dbraw/zinc/01/69/11/571016911.db2.gz XYHRERATEAGDOV-HSZRJFAPSA-N 0 0 398.506 4.127 40 0 GIABRN COCc1ccc(OC)c(CN2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)c1 ZINC000019594357 571020476 /nfs/dbraw/zinc/02/04/76/571020476.db2.gz SJVWICHEDWDJEE-QHCPKHFHSA-N 0 0 396.462 4.102 40 0 GIABRN Cc1c2cc(Cl)ccc2n(C)c1C(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000019656263 571023230 /nfs/dbraw/zinc/02/32/30/571023230.db2.gz HIQZBFLIOFRJBS-SFHVURJKSA-N 0 0 397.906 4.357 40 0 GIABRN Cc1[nH]c2c(c1CC(=O)N[C@@H](C)c1ccc3c(c1)OCCO3)c(C)ccc2C ZINC000019660488 571025601 /nfs/dbraw/zinc/02/56/01/571025601.db2.gz DGMTUMKORQFCCQ-HNNXBMFYSA-N 0 0 378.472 4.284 40 0 GIABRN Cc1nn(-c2ccc(F)cc2)c(C)c1CN(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000019664439 571026861 /nfs/dbraw/zinc/02/68/61/571026861.db2.gz CFMVUUWVQFRTKZ-QFIPXVFZSA-N 0 0 394.494 4.204 40 0 GIABRN Cc1onc(C(=O)Nc2ccc3c(c2)ncn3C2CCCCC2)c1CN(C)C ZINC000019663468 571026953 /nfs/dbraw/zinc/02/69/53/571026953.db2.gz PXMOXGBUEUVNQH-UHFFFAOYSA-N 0 0 381.480 4.152 40 0 GIABRN Cc1nc([C@H]2CCCCN2C(=O)C2CCCC2)nc2c1CCCN2CC1CC1 ZINC000019706806 571032876 /nfs/dbraw/zinc/03/28/76/571032876.db2.gz WLZWMJHKHSMTMS-HXUWFJFHSA-N 0 0 382.552 4.191 40 0 GIABRN Cn1c(CCC(=O)Nc2cccc(Cn3cccn3)c2)nc2cc(Cl)ccc21 ZINC000019714205 571035712 /nfs/dbraw/zinc/03/57/12/571035712.db2.gz OQRQTRVYFPVZST-UHFFFAOYSA-N 0 0 393.878 4.043 40 0 GIABRN Cn1c(-c2ccc(F)cc2)cnc1NC(=O)c1ccc2c(c1)ncn2C1CC1 ZINC000019714344 571036183 /nfs/dbraw/zinc/03/61/83/571036183.db2.gz AHDNRIINGUAWIO-UHFFFAOYSA-N 0 0 375.407 4.163 40 0 GIABRN CC[C@@H](NC(=O)c1cc(-n2cccn2)ccc1Cl)c1c(C)nn(CC)c1C ZINC000019717634 571040604 /nfs/dbraw/zinc/04/06/04/571040604.db2.gz RFOKMNAHWLDKHD-GOSISDBHSA-N 0 0 385.899 4.240 40 0 GIABRN Cc1ccc2c(n[nH]c2NC(=O)c2cc(-c3ccccn3)nc3ccccc32)n1 ZINC000019718293 571041197 /nfs/dbraw/zinc/04/11/97/571041197.db2.gz LGDNTYXOWNHRIL-UHFFFAOYSA-N 0 0 380.411 4.129 40 0 GIABRN Cc1nc2ccc(F)cc2cc1C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000019718317 571041278 /nfs/dbraw/zinc/04/12/78/571041278.db2.gz HILCAXWNGXDCJZ-UHFFFAOYSA-N 0 0 399.853 4.425 40 0 GIABRN O=C(Nc1ccc(Cl)cn1)c1cccc(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000003092271 817417478 /nfs/dbraw/zinc/41/74/78/817417478.db2.gz ZQVKVWPFBGSPIS-UHFFFAOYSA-N 0 0 387.226 4.288 40 0 GIABRN COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)c1 ZINC000004928418 817541679 /nfs/dbraw/zinc/54/16/79/817541679.db2.gz KNONSRCWIWOONN-UHFFFAOYSA-N 0 0 399.472 4.101 40 0 GIABRN Cc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1-c1cccc(C)c1 ZINC000005359606 817577393 /nfs/dbraw/zinc/57/73/93/817577393.db2.gz RXSSRLZPTCJIIB-UHFFFAOYSA-N 0 0 390.871 4.407 40 0 GIABRN CN(C)c1ccc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000005404328 817580604 /nfs/dbraw/zinc/58/06/04/817580604.db2.gz UMGOJPUWDDRYEI-UHFFFAOYSA-N 0 0 390.439 4.340 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)cc1 ZINC000006120390 817658138 /nfs/dbraw/zinc/65/81/38/817658138.db2.gz SEZYVGSTZCTDLF-UHFFFAOYSA-N 0 0 389.835 4.092 40 0 GIABRN CCOc1cc(C(=O)Nc2ccc(OC)cc2)cc(Br)c1OC ZINC000006152191 817663699 /nfs/dbraw/zinc/66/36/99/817663699.db2.gz CZGFVTJHJTYZKS-UHFFFAOYSA-N 0 0 380.238 4.117 40 0 GIABRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OC ZINC000006324825 817676171 /nfs/dbraw/zinc/67/61/71/817676171.db2.gz UNYNGJJTVIROGX-HBVQVORYSA-N 0 0 382.913 4.446 40 0 GIABRN CCN1C(=O)S/C(=C\c2ccc(OCC(=O)Nc3ccccc3C)cc2)C1=O ZINC000006325715 817676954 /nfs/dbraw/zinc/67/69/54/817676954.db2.gz NVTUQBNYHYJHIR-PDGQHHTCSA-N 0 0 396.468 4.069 40 0 GIABRN Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)s1 ZINC000006478441 817697397 /nfs/dbraw/zinc/69/73/97/817697397.db2.gz YTCRHWFYYLXICV-VGOFMYFVSA-N 0 0 394.424 4.010 40 0 GIABRN Cc1cccc(NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1 ZINC000006504337 817698614 /nfs/dbraw/zinc/69/86/14/817698614.db2.gz RYNPMLUMRLIIIB-IBGZPJMESA-N 0 0 384.476 4.044 40 0 GIABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCC)cc1OCC ZINC000006656681 817716248 /nfs/dbraw/zinc/71/62/48/817716248.db2.gz MXCCNPOASMXCNY-GOSISDBHSA-N 0 0 388.489 4.252 40 0 GIABRN CCOc1ccc(NC(=O)Cn2nc(COc3ccccc3C)oc2=S)cc1 ZINC000006963099 817729645 /nfs/dbraw/zinc/72/96/45/817729645.db2.gz VBUNJIJITBKLHH-UHFFFAOYSA-N 0 0 399.472 4.130 40 0 GIABRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O ZINC000007071142 817752404 /nfs/dbraw/zinc/75/24/04/817752404.db2.gz GMYYDAQSKJPNDT-UWZPUTRXSA-N 0 0 388.272 4.371 40 0 GIABRN COc1ccc(C(=O)CN(c2cc(OC)ccc2OC)C2=NCCCCC2)cc1 ZINC000007275386 817809402 /nfs/dbraw/zinc/80/94/02/817809402.db2.gz WJFBIUDUCGTAEZ-UHFFFAOYSA-N 0 0 396.487 4.374 40 0 GIABRN O=C(Nc1ccc(I)cc1)c1ccc(N2CCCC2)cc1 ZINC000007382908 817828379 /nfs/dbraw/zinc/82/83/79/817828379.db2.gz CGRLCFVSMPQLDW-UHFFFAOYSA-N 0 0 392.240 4.144 40 0 GIABRN CSc1nc2sc(C(=O)N3CCCCC3)cc2c(N2CCCCC2)n1 ZINC000007604212 817877915 /nfs/dbraw/zinc/87/79/15/817877915.db2.gz VDRUDZJFLLCPPU-UHFFFAOYSA-N 0 0 376.551 4.030 40 0 GIABRN Cc1cccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1C ZINC000007928821 817962369 /nfs/dbraw/zinc/96/23/69/817962369.db2.gz HYCIGRZARJLKHN-CQSZACIVSA-N 0 0 388.261 4.024 40 0 GIABRN CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccccc1CC ZINC000007939856 817965256 /nfs/dbraw/zinc/96/52/56/817965256.db2.gz PEIAIGUSOXKQJT-UHFFFAOYSA-N 0 0 396.487 4.102 40 0 GIABRN COc1ccccc1O[C@@H](C)C(=O)NCCSCc1cccc(Cl)c1 ZINC000008041018 817988570 /nfs/dbraw/zinc/98/85/70/817988570.db2.gz XWFLVMYDPFMLBG-AWEZNQCLSA-N 0 0 379.909 4.166 40 0 GIABRN CCc1ccccc1NC(=O)CSc1nnc(COc2ccccc2C)o1 ZINC000008088441 817997635 /nfs/dbraw/zinc/99/76/35/817997635.db2.gz PKCHQLMBUYOCQE-UHFFFAOYSA-N 0 0 383.473 4.250 40 0 GIABRN COc1ccc(C[C@H]2SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000008115187 818002736 /nfs/dbraw/zinc/00/27/36/818002736.db2.gz FYQOPYTVSAGKLL-QGZVFWFLSA-N 0 0 391.876 4.164 40 0 GIABRN COc1cccc(C[C@@H]2SC(=O)N(c3ccccc3Cl)C2=O)c1OC ZINC000008168951 818010805 /nfs/dbraw/zinc/01/08/05/818010805.db2.gz WLUGVJSCRRJTKN-HNNXBMFYSA-N 0 0 377.849 4.168 40 0 GIABRN Cc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 ZINC000016410151 818438257 /nfs/dbraw/zinc/43/82/57/818438257.db2.gz VGYHVTRCLSOMLQ-QGOAFFKASA-N 0 0 390.443 4.439 40 0 GIABRN C[C@H]1C=CC[C@H]2C(=O)N(c3ccc(Cl)cc3C(=O)c3ccccc3)C(=O)[C@@H]21 ZINC000017986795 818537802 /nfs/dbraw/zinc/53/78/02/818537802.db2.gz MILHJPVJLGNWJU-URKNILKWSA-N 0 0 379.843 4.273 40 0 GIABRN Cc1nnc2n1C[C@H](c1cccc(NC(=O)CCc3ccc(F)cc3)c1)CC2 ZINC000019698714 818600215 /nfs/dbraw/zinc/60/02/15/818600215.db2.gz QEOZAGYURWXOFH-GOSISDBHSA-N 0 0 378.451 4.027 40 0 GIABRN CCN(C(C)=O)[C@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)C2(C1)CCCCC2 ZINC000019703853 818600705 /nfs/dbraw/zinc/60/07/05/818600705.db2.gz HNZRPEHDYDURPR-GOSISDBHSA-N 0 0 385.483 4.093 40 0 GIABRN c1ccc(CCn2nnnc2[C@@H](c2ccccc2)N2CCc3ccccc3C2)cc1 ZINC000020120935 818614723 /nfs/dbraw/zinc/61/47/23/818614723.db2.gz NUAXDAUIDXZWKJ-XMMPIXPASA-N 0 0 395.510 4.064 40 0 GIABRN Cc1ccc([C@@H](CC(=O)Nc2ccc(C)cn2)N2Cc3ccccc3C2=O)cc1 ZINC000021530688 818700862 /nfs/dbraw/zinc/70/08/62/818700862.db2.gz IIDKNAFKHJJBQV-OAQYLSRUSA-N 0 0 385.467 4.424 40 0 GIABRN Cc1ccc(F)cc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C ZINC000023552096 818958538 /nfs/dbraw/zinc/95/85/38/818958538.db2.gz PVRNQGPFNSOOMM-UHFFFAOYSA-N 0 0 390.871 4.314 40 0 GIABRN O=C(CSc1noc(-c2ccc(Br)cc2)n1)c1ccccc1 ZINC000028527258 820343858 /nfs/dbraw/zinc/34/38/58/820343858.db2.gz MYUNEVMDKQWHAV-UHFFFAOYSA-N 0 0 375.247 4.474 40 0 GIABRN O=C(NCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1Cl ZINC000042645778 821319266 /nfs/dbraw/zinc/31/92/66/821319266.db2.gz IAOLQIBVCOMVLO-UHFFFAOYSA-N 0 0 378.859 4.227 40 0 GIABRN CC(C)(C)CC(C)(C)NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000060658775 823550750 /nfs/dbraw/zinc/55/07/50/823550750.db2.gz MLBQLBCGRBYJAD-UHFFFAOYSA-N 0 0 378.472 4.432 40 0 GIABRN C[Si](C)(C)C1=C[C@H](NC(=O)c2ccccc2)CC[C@@H]1NC(=O)c1ccccc1 ZINC000575624128 823979374 /nfs/dbraw/zinc/97/93/74/823979374.db2.gz JFONNFDZBKUIQY-UXHICEINSA-N 0 0 392.575 4.181 40 0 GIABRN Cc1cccc(O[C@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1C ZINC000219311518 222594810 /nfs/dbraw/zinc/59/48/10/222594810.db2.gz XRSWGDFSAAGBHB-CQSZACIVSA-N 0 0 385.851 4.091 40 0 GIABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1nc(-c2ccc(C)cc2)no1 ZINC000219380574 222595094 /nfs/dbraw/zinc/59/50/94/222595094.db2.gz IQYKHEUPRARMFB-GOSISDBHSA-N 0 0 379.460 4.136 40 0 GIABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000219335243 222595395 /nfs/dbraw/zinc/59/53/95/222595395.db2.gz IAMKGFSWWWMUCI-INIZCTEOSA-N 0 0 385.489 4.231 40 0 GIABRN COc1ccc(OC)c(NC(=O)CCCN2c3cccc4cccc(c34)C2=O)c1 ZINC000219453580 222595984 /nfs/dbraw/zinc/59/59/84/222595984.db2.gz YNABUGCFNNYUJK-UHFFFAOYSA-N 0 0 390.439 4.236 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C ZINC000222457936 222608377 /nfs/dbraw/zinc/60/83/77/222608377.db2.gz AMRVYMRIOLCUAN-OAQYLSRUSA-N 0 0 396.531 4.014 40 0 GIABRN Cc1ccc(C)c(NC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1 ZINC000004285928 230833737 /nfs/dbraw/zinc/83/37/37/230833737.db2.gz XCLDWQHFPTWGQN-UHFFFAOYSA-N 0 0 399.541 4.211 40 0 GIABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(OC)c(OC)cc3OC)N21 ZINC000222646902 222612160 /nfs/dbraw/zinc/61/21/60/222612160.db2.gz HSLHXOZSUAVIEN-QTJFZDIUSA-N 0 0 399.516 4.087 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000222735690 222612702 /nfs/dbraw/zinc/61/27/02/222612702.db2.gz VBUCYKHIJXVZLR-KBXCAEBGSA-N 0 0 389.879 4.454 40 0 GIABRN CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000222711058 222612720 /nfs/dbraw/zinc/61/27/20/222612720.db2.gz JNVQQJJNBXVOJN-CJNGLKHVSA-N 0 0 375.852 4.146 40 0 GIABRN O=C(NC(=S)Nc1cccnc1Cl)c1cccc(OCc2ccccc2)c1 ZINC000057315573 230936815 /nfs/dbraw/zinc/93/68/15/230936815.db2.gz ZSMWFELZFVWIKH-UHFFFAOYSA-N 0 0 397.887 4.441 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222747692 222614531 /nfs/dbraw/zinc/61/45/31/222614531.db2.gz AEFDRVFNBMPVMM-LJQANCHMSA-N 0 0 380.532 4.178 40 0 GIABRN COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)cc1 ZINC000222842051 222615468 /nfs/dbraw/zinc/61/54/68/222615468.db2.gz QJSXPTDMDKODRC-NHCUHLMSSA-N 0 0 392.528 4.262 40 0 GIABRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)n1-c1cccnc1 ZINC000222912768 222618241 /nfs/dbraw/zinc/61/82/41/222618241.db2.gz KMQVSCNPIVYPPW-NHCUHLMSSA-N 0 0 391.544 4.204 40 0 GIABRN Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000102301562 231011847 /nfs/dbraw/zinc/01/18/47/231011847.db2.gz CYQSUAAOZKUPHT-CALCHBBNSA-N 0 0 394.858 4.356 40 0 GIABRN O=C(CCCOc1ccccc1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000105339029 231017346 /nfs/dbraw/zinc/01/73/46/231017346.db2.gz IOEJHZGDKHIZRS-UHFFFAOYSA-N 0 0 378.428 4.007 40 0 GIABRN COCCn1c(C)cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c1C ZINC000106693746 231018396 /nfs/dbraw/zinc/01/83/96/231018396.db2.gz UHKPPOLLBOLVRN-WQRHYEAKSA-N 0 0 388.464 4.127 40 0 GIABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSc1ccccc1 ZINC000222627748 231031928 /nfs/dbraw/zinc/03/19/28/231031928.db2.gz DMRPSQILPUWBRY-QGZVFWFLSA-N 0 0 384.545 4.111 40 0 GIABRN O=C(CCc1ccc(Cl)cc1Cl)N1CCN(c2ccc(F)cc2)CC1 ZINC000225369574 231034214 /nfs/dbraw/zinc/03/42/14/231034214.db2.gz YAMQWTNUJGGJHQ-UHFFFAOYSA-N 0 0 381.278 4.414 40 0 GIABRN CCn1c(Sc2oc(C=O)cc2Br)nnc1-c1ccccc1 ZINC000408554364 231059420 /nfs/dbraw/zinc/05/94/20/231059420.db2.gz DLJIFGSCMBNRIY-UHFFFAOYSA-N 0 0 378.251 4.284 40 0 GIABRN Cc1ccc(C(=O)N2N=C3CCCCC[C@@H]3[C@H]2[C@H](O)C(F)(F)F)c(Cl)c1 ZINC000408562789 231063100 /nfs/dbraw/zinc/06/31/00/231063100.db2.gz CFVGYSKRUDBMNY-RCBQFDQVSA-N 0 0 388.817 4.332 40 0 GIABRN CCn1c2c(s/c1=N\C(=O)c1ccc(OC)c(OC)c1)CCc1ccccc1-2 ZINC000408564489 231064256 /nfs/dbraw/zinc/06/42/56/231064256.db2.gz YTNPPPSDMIOXQI-FCQUAONHSA-N 0 0 394.496 4.093 40 0 GIABRN CCn1c2ccccc2nc1SCC(=O)Nc1ccccc1C(=O)OC(C)C ZINC000408692280 231095559 /nfs/dbraw/zinc/09/55/59/231095559.db2.gz JAJZPSXHRFEDHD-UHFFFAOYSA-N 0 0 397.500 4.352 40 0 GIABRN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000408706098 231099811 /nfs/dbraw/zinc/09/98/11/231099811.db2.gz VFOLLFGGPMZRTR-UHFFFAOYSA-N 0 0 387.288 4.032 40 0 GIABRN Cc1c(Cl)cccc1N1C[C@@H](C(=O)NCc2ccc(C(C)C)cc2)CC1=O ZINC000408707138 231101235 /nfs/dbraw/zinc/10/12/35/231101235.db2.gz HCYQMKBWVFIWTH-SFHVURJKSA-N 0 0 384.907 4.441 40 0 GIABRN Cc1cccc(N2C[C@H](C(=O)NCC(c3ccccc3)c3ccccc3)CC2=O)c1 ZINC000408708824 231101499 /nfs/dbraw/zinc/10/14/99/231101499.db2.gz UCGSAMROYFYFEM-JOCHJYFZSA-N 0 0 398.506 4.296 40 0 GIABRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1 ZINC000408624702 231086011 /nfs/dbraw/zinc/08/60/11/231086011.db2.gz VTTILZLYDRLFBD-UHFFFAOYSA-N 0 0 398.919 4.398 40 0 GIABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1NC(c2ccccc2)=CS1 ZINC000408909243 231129145 /nfs/dbraw/zinc/12/91/45/231129145.db2.gz GTDPAVQZHWGPMD-BBATYDOGSA-N 0 0 395.311 4.496 40 0 GIABRN O=C(NC1CCCCC1)[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 ZINC000408736923 231108559 /nfs/dbraw/zinc/10/85/59/231108559.db2.gz JUXRWAMMXUEKDL-JOCHJYFZSA-N 0 0 392.499 4.199 40 0 GIABRN O=C(Nc1ccc2nccnc2c1)c1ccc(OC(=S)N2CCCCC2)cc1 ZINC000408978170 231140815 /nfs/dbraw/zinc/14/08/15/231140815.db2.gz YPEWQIBMAOULSI-UHFFFAOYSA-N 0 0 392.484 4.032 40 0 GIABRN C[C@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)Oc1ccccc1 ZINC000408998336 231144738 /nfs/dbraw/zinc/14/47/38/231144738.db2.gz LKHNSBAMVDKFPA-YYWHXJBOSA-N 0 0 380.488 4.081 40 0 GIABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3C)C2=O)cc1C ZINC000408928933 231132296 /nfs/dbraw/zinc/13/22/96/231132296.db2.gz LNXFKWFTFZOMDY-WOJGMQOQSA-N 0 0 380.469 4.287 40 0 GIABRN Cc1cccc(OCc2nn(CC(=O)Nc3ccc(C)cc3C)c(=S)o2)c1 ZINC000409157495 231172943 /nfs/dbraw/zinc/17/29/43/231172943.db2.gz VUYFWMNSUQIQAM-UHFFFAOYSA-N 0 0 383.473 4.349 40 0 GIABRN Cc1ccc(-n2cccc2/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1C ZINC000409070283 231153825 /nfs/dbraw/zinc/15/38/25/231153825.db2.gz YPEBBSKMPNOFNC-FYJGNVAPSA-N 0 0 389.430 4.326 40 0 GIABRN Cc1nnc(SCC(=O)Nc2cccc(Cl)c2)n1-c1ccc(F)cc1 ZINC000409105834 231161396 /nfs/dbraw/zinc/16/13/96/231161396.db2.gz LBMALKKVNFNMJL-UHFFFAOYSA-N 0 0 376.844 4.099 40 0 GIABRN O=C(CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)Nc1cccc(Cl)c1 ZINC000409170852 231174811 /nfs/dbraw/zinc/17/48/11/231174811.db2.gz XMIOOXLFCHFFTC-OVCLIPMQSA-N 0 0 390.823 4.154 40 0 GIABRN O=C(CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)Nc1ccccc1Cl ZINC000409248088 231187653 /nfs/dbraw/zinc/18/76/53/231187653.db2.gz FXBMWOJHRPUZCO-OQLLNIDSSA-N 0 0 390.823 4.154 40 0 GIABRN Cc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(C)c2C)C1=O ZINC000409314029 231189644 /nfs/dbraw/zinc/18/96/44/231189644.db2.gz QDXYMPKAJNUKHM-WOJGMQOQSA-N 0 0 380.469 4.287 40 0 GIABRN Cc1ccc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)Nc1ccccc1 ZINC000409383995 231198333 /nfs/dbraw/zinc/19/83/33/231198333.db2.gz UIEKMAZNOVFYJR-UHFFFAOYSA-N 0 0 394.496 4.068 40 0 GIABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000222973695 222621222 /nfs/dbraw/zinc/62/12/22/222621222.db2.gz MAOZYWCQGAXFOP-QGZVFWFLSA-N 0 0 399.878 4.481 40 0 GIABRN Cc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CCC3)c(Br)c1 ZINC000223091717 222624887 /nfs/dbraw/zinc/62/48/87/222624887.db2.gz RKOBBWXYMVFEBY-UHFFFAOYSA-N 0 0 397.272 4.271 40 0 GIABRN CCc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000408708775 529650042 /nfs/dbraw/zinc/65/00/42/529650042.db2.gz SNJBHBPGTOMDKX-OAHLLOKOSA-N 0 0 391.298 4.225 40 0 GIABRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3C)C2=O)cc1 ZINC000409178204 529674968 /nfs/dbraw/zinc/67/49/68/529674968.db2.gz FNSVGEMEORDZTP-LDADJPATSA-N 0 0 380.469 4.232 40 0 GIABRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/C=C/c3ccccc3)C2=O)cc1 ZINC000409173442 529675298 /nfs/dbraw/zinc/67/52/98/529675298.db2.gz NFMBBAOZNWKSSJ-AVSIYSEJSA-N 0 0 392.480 4.480 40 0 GIABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(N4CCCCC4)o3)S2)cc1 ZINC000408783704 529689515 /nfs/dbraw/zinc/68/95/15/529689515.db2.gz QHYRUHZTQCPCFW-JOIYNNFJSA-N 0 0 383.517 4.432 40 0 GIABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Cl)cc(OC)c3O)S2)cc1 ZINC000006243660 529689574 /nfs/dbraw/zinc/68/95/74/529689574.db2.gz WVNVRCBUHZYYHI-VPEZWSJASA-N 0 0 390.892 4.216 40 0 GIABRN C[C@H](NC(=O)CCc1cccc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000223887072 222644970 /nfs/dbraw/zinc/64/49/70/222644970.db2.gz DUQHKXKKQFFRQT-INIZCTEOSA-N 0 0 381.497 4.053 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccs2)N1c1ccc2c(c1)OCO2 ZINC000223999464 222648892 /nfs/dbraw/zinc/64/88/92/222648892.db2.gz KCVIXYHFSFRCBJ-ZWKOTPCHSA-N 0 0 381.482 4.049 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000224075030 222649602 /nfs/dbraw/zinc/64/96/02/222649602.db2.gz ASNRCVBMHUKDGR-QHCPKHFHSA-N 0 0 394.559 4.304 40 0 GIABRN Cc1cc(C)cc(OCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000224082304 222650249 /nfs/dbraw/zinc/65/02/49/222650249.db2.gz NXKNGHFHCZJCGE-UHFFFAOYSA-N 0 0 388.316 4.109 40 0 GIABRN Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3F)c2)c1 ZINC000224133374 222650954 /nfs/dbraw/zinc/65/09/54/222650954.db2.gz JEQHMFZFJBZFIO-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 ZINC000224136886 222651717 /nfs/dbraw/zinc/65/17/17/222651717.db2.gz YAJUNYWKNZKJTC-OAQYLSRUSA-N 0 0 398.572 4.339 40 0 GIABRN Cc1cc(C)cc(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224143029 222651796 /nfs/dbraw/zinc/65/17/96/222651796.db2.gz PUAQNOXHTOHMKU-OAQYLSRUSA-N 0 0 394.559 4.344 40 0 GIABRN CCC[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000224210287 222652702 /nfs/dbraw/zinc/65/27/02/222652702.db2.gz HOSIVSCZUCBBJF-QGZVFWFLSA-N 0 0 388.533 4.047 40 0 GIABRN CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000224192325 222652994 /nfs/dbraw/zinc/65/29/94/222652994.db2.gz VDOHZTNFVNINND-NRFANRHFSA-N 0 0 380.532 4.341 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NC(C)(C)C)c2)cc1 ZINC000224338221 222655281 /nfs/dbraw/zinc/65/52/81/222655281.db2.gz VNVYUDQYWMVIAD-UHFFFAOYSA-N 0 0 394.924 4.002 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c(C)c1 ZINC000224320775 222655713 /nfs/dbraw/zinc/65/57/13/222655713.db2.gz UCUMVCWMMQBSIJ-INIZCTEOSA-N 0 0 381.472 4.457 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1c1ccc(Br)cc1 ZINC000224484624 222656784 /nfs/dbraw/zinc/65/67/84/222656784.db2.gz GLYZPBRJFYXIBL-DLBZAZTESA-N 0 0 399.317 4.349 40 0 GIABRN CCOc1ccc(C(=O)NCc2ccco2)cc1COc1ccc(OC)cc1 ZINC000224596691 222659070 /nfs/dbraw/zinc/65/90/70/222659070.db2.gz JFKIHXXNQUKCTN-UHFFFAOYSA-N 0 0 381.428 4.196 40 0 GIABRN Cc1ccccc1CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)C ZINC000224643996 222659728 /nfs/dbraw/zinc/65/97/28/222659728.db2.gz MNSHJQDFKABIFU-KRWDZBQOSA-N 0 0 386.923 4.133 40 0 GIABRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1F ZINC000224677410 222660348 /nfs/dbraw/zinc/66/03/48/222660348.db2.gz DLCDGITVWWQCCH-GOSISDBHSA-N 0 0 396.506 4.234 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)[C@@H](C)SCc3ccccc3)s2)cc1 ZINC000224893690 222665129 /nfs/dbraw/zinc/66/51/29/222665129.db2.gz BINIOWCLWYORMT-CYBMUJFWSA-N 0 0 385.514 4.474 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccccn2)N1C1CCCC1 ZINC000225006343 222667277 /nfs/dbraw/zinc/66/72/77/222667277.db2.gz JXBHSEQEDBMVTN-RTWAWAEBSA-N 0 0 389.528 4.182 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 ZINC000225132907 222670558 /nfs/dbraw/zinc/67/05/58/222670558.db2.gz MKPBTAMVSXZYGI-QHCPKHFHSA-N 0 0 394.559 4.488 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C ZINC000225163083 222670711 /nfs/dbraw/zinc/67/07/11/222670711.db2.gz FXSMMLDSENEVHI-JOCHJYFZSA-N 0 0 380.532 4.180 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 ZINC000225230382 222672370 /nfs/dbraw/zinc/67/23/70/222672370.db2.gz KVABHFWXPMYNII-RBUKOAKNSA-N 0 0 398.522 4.399 40 0 GIABRN COC(=O)c1cccc(NC(=S)NCCSCc2cccc(Cl)c2)c1 ZINC000225300112 222674132 /nfs/dbraw/zinc/67/41/32/222674132.db2.gz PZABWXODDCAUTG-UHFFFAOYSA-N 0 0 394.949 4.346 40 0 GIABRN COC(=O)c1cc(NC(=S)NCCCc2cccc(C)c2)ccc1Cl ZINC000225392740 222675427 /nfs/dbraw/zinc/67/54/27/222675427.db2.gz ISCCFHCSWLLLOR-UHFFFAOYSA-N 0 0 376.909 4.354 40 0 GIABRN O=C(N[C@@H]1CC2(CCCCC2)Oc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000225398392 222675923 /nfs/dbraw/zinc/67/59/23/222675923.db2.gz MRPYJVDSEQHVKS-GOSISDBHSA-N 0 0 379.456 4.414 40 0 GIABRN CCOc1cccc(CNC(=S)Nc2ccc(Cl)c(C(=O)OC)c2)c1 ZINC000225439736 222676902 /nfs/dbraw/zinc/67/69/02/222676902.db2.gz FOGGFOAFVKXVLD-UHFFFAOYSA-N 0 0 378.881 4.012 40 0 GIABRN Cc1ccccc1CN(C(=O)CCSc1ccccc1)[C@@H](C)C(=O)NC(C)C ZINC000225478214 222679834 /nfs/dbraw/zinc/67/98/34/222679834.db2.gz RBLBINVOTBJENY-IBGZPJMESA-N 0 0 398.572 4.419 40 0 GIABRN O=C1CCCN1c1cccc(NC(=S)NCCCc2ccc(Cl)cc2)c1 ZINC000225545381 222681938 /nfs/dbraw/zinc/68/19/38/222681938.db2.gz FJVQXGKGNMYLFB-UHFFFAOYSA-N 0 0 387.936 4.386 40 0 GIABRN CN(Cc1nnc(-c2ccccc2)o1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000408713892 530029935 /nfs/dbraw/zinc/02/99/35/530029935.db2.gz CBMPLVCROVQPKQ-UHFFFAOYSA-N 0 0 379.460 4.072 40 0 GIABRN O=C1CCCN1c1ccc(NC(=S)NCCCSCc2ccccc2)cc1 ZINC000225598547 222684865 /nfs/dbraw/zinc/68/48/65/222684865.db2.gz XVRXAHKTOFOISB-UHFFFAOYSA-N 0 0 399.585 4.423 40 0 GIABRN CC(C)Oc1cccc(NC(=S)NCc2ccccc2CN2CCCC2=O)c1 ZINC000225652851 222687190 /nfs/dbraw/zinc/68/71/90/222687190.db2.gz WQHXWRRPYQFPKL-UHFFFAOYSA-N 0 0 397.544 4.083 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)N[C@H]2CCCc3cc(OC)ccc32)c1 ZINC000225704416 222691404 /nfs/dbraw/zinc/69/14/04/222691404.db2.gz OWWMCZUFRRQMNW-IBGZPJMESA-N 0 0 384.501 4.236 40 0 GIABRN COCCN(Cc1cccn1C(C)C)C(=O)c1ccc2nc(Cl)oc2c1 ZINC000225984856 222704588 /nfs/dbraw/zinc/70/45/88/222704588.db2.gz MLVWOAYGMNTKFX-UHFFFAOYSA-N 0 0 375.856 4.152 40 0 GIABRN O=C(CCC1CCCC1)N1CCO[C@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 ZINC000257269065 222767003 /nfs/dbraw/zinc/76/70/03/222767003.db2.gz MOKRRRAWTNXHKT-FQEVSTJZSA-N 0 0 398.482 4.230 40 0 GIABRN COCCC(=O)N[C@@]1(C)C[C@H](c2cccc(OC)c2F)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257294519 222771579 /nfs/dbraw/zinc/77/15/79/222771579.db2.gz QUNPWKSVPACYFP-BYXQHVMRSA-N 0 0 393.499 4.012 40 0 GIABRN Cn1cc(C(=O)N2CCCC[C@H]2c2ccc(Cc3ccccc3Cl)nc2)cn1 ZINC000257327570 222776640 /nfs/dbraw/zinc/77/66/40/222776640.db2.gz XBWJXVVQVDOIBA-NRFANRHFSA-N 0 0 394.906 4.427 40 0 GIABRN O=C(c1ccccn1)N1CC[C@@H](Nc2cccc(F)c2)[C@@H](Cc2ccccc2)C1 ZINC000257321578 222776986 /nfs/dbraw/zinc/77/69/86/222776986.db2.gz WCFLEWRTUOGTSD-SIKLNZKXSA-N 0 0 389.474 4.406 40 0 GIABRN Cc1ccccc1CC(=O)N1Cc2sc(N(C)C)nc2-c2ccccc2C1 ZINC000306138186 222800937 /nfs/dbraw/zinc/80/09/37/222800937.db2.gz RSAMKOUMHFZBMF-UHFFFAOYSA-N 0 0 377.513 4.269 40 0 GIABRN COc1ccccc1OCCCC(=O)Nc1nnc(C2CCCCC2)s1 ZINC000001893046 212258899 /nfs/dbraw/zinc/25/88/99/212258899.db2.gz AYZDOAYAEOUXJO-UHFFFAOYSA-N 0 0 375.494 4.392 40 0 GIABRN O=C(N[C@@H]1CC(c2ccccc2)(c2ccccc2)OC1=O)OCc1ccccc1 ZINC000001868709 212258914 /nfs/dbraw/zinc/25/89/14/212258914.db2.gz ZEVQPWWNUFPVMD-OAQYLSRUSA-N 0 0 387.435 4.172 40 0 GIABRN CCOC(=O)Nc1ccc(OC(=O)Oc2ccc(NC(=O)OCC)cc2)cc1 ZINC000001697923 212254335 /nfs/dbraw/zinc/25/43/35/212254335.db2.gz JMDVFPIEPLKQCX-UHFFFAOYSA-N 0 0 388.376 4.401 40 0 GIABRN CC(=O)Nc1c(Br)cc2c(c1Br)C(=O)c1ccccc1-2 ZINC000001704653 212253520 /nfs/dbraw/zinc/25/35/20/212253520.db2.gz APSWWZRTBIAUMH-UHFFFAOYSA-N 0 0 395.050 4.381 40 0 GIABRN CC(=O)Nc1ccc2ccccc2c1S[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000002042371 212261609 /nfs/dbraw/zinc/26/16/09/212261609.db2.gz CFOGLLSLMDUSGH-LJQANCHMSA-N 0 0 390.464 4.222 40 0 GIABRN C[C@H](Sc1nnc(-c2ccncc2)o1)C(=O)c1ccc(Br)cc1 ZINC000001439936 212244605 /nfs/dbraw/zinc/24/46/05/212244605.db2.gz LWZJRVJJZMCJHZ-JTQLQIEISA-N 0 0 390.262 4.258 40 0 GIABRN CCOc1cc(NC(=O)Nc2ccccc2OC)c(OCC)cc1NC(C)=O ZINC000001324437 212234758 /nfs/dbraw/zinc/23/47/58/212234758.db2.gz SMLXCHBAEZGDKI-UHFFFAOYSA-N 0 0 387.436 4.095 40 0 GIABRN O=C(c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F)N1CCCCC1 ZINC000000866018 212191641 /nfs/dbraw/zinc/19/16/41/212191641.db2.gz WHCQOICYHPFYHM-HOTGVXAUSA-N 0 0 396.388 4.309 40 0 GIABRN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(CNc2ccc(Cl)cc2)o1 ZINC000000897303 212193884 /nfs/dbraw/zinc/19/38/84/212193884.db2.gz NEOJGYUOWQSXKY-STQMWFEESA-N 0 0 394.928 4.217 40 0 GIABRN O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N1CCCC1 ZINC000034784106 212162433 /nfs/dbraw/zinc/16/24/33/212162433.db2.gz YCPODQVLHATZLM-UHFFFAOYSA-N 0 0 385.920 4.453 40 0 GIABRN O=S(=O)(Nc1cccc(C(F)(F)F)c1F)c1ccccc1Br ZINC000034367001 212116465 /nfs/dbraw/zinc/11/64/65/212116465.db2.gz YKTPXYNMRCQRKX-UHFFFAOYSA-N 0 0 398.175 4.408 40 0 GIABRN COc1ccc(-c2nc3cc(C)cc(Br)c3o2)cc1-n1cnnc1 ZINC000045920715 212119544 /nfs/dbraw/zinc/11/95/44/212119544.db2.gz BBYTZVHBLSLFCS-UHFFFAOYSA-N 0 0 385.221 4.155 40 0 GIABRN CCOC(=O)[C@H]1CC(=O)N(c2cccc(-c3nc4ccccc4s3)c2C)C1 ZINC000045886847 212119402 /nfs/dbraw/zinc/11/94/02/212119402.db2.gz HWMXBZHAECNZOD-AWEZNQCLSA-N 0 0 380.469 4.188 40 0 GIABRN COC(=O)/C=C/c1ccc(OC)c(OCc2ccc(Br)cc2)c1 ZINC000216898305 212107336 /nfs/dbraw/zinc/10/73/36/212107336.db2.gz QKDMMLLFZNTLGI-UXBLZVDNSA-N 0 0 377.234 4.223 40 0 GIABRN Cc1c(C(N)=O)c2ccccc2n1C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000216905442 212110594 /nfs/dbraw/zinc/11/05/94/212110594.db2.gz QNDCOSGTSRIHJD-LLVKDONJSA-N 0 0 391.254 4.463 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2cccc(Br)c2C)cc(C2CC2)n1 ZINC000329047021 212094833 /nfs/dbraw/zinc/09/48/33/212094833.db2.gz UEBIQONRBZNJJL-NSHDSACASA-N 0 0 375.314 4.223 40 0 GIABRN CCc1cc(N2CCc3cc(C(=O)OC)ccc3C2)nc(Nc2ccccc2)n1 ZINC000329045046 212094895 /nfs/dbraw/zinc/09/48/95/212094895.db2.gz TUGFKVQEDNXHJG-UHFFFAOYSA-N 0 0 388.471 4.132 40 0 GIABRN CCNc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(-c2ccncc2)n1 ZINC000329023056 212094132 /nfs/dbraw/zinc/09/41/32/212094132.db2.gz ORNDJOXPLLTWSM-UHFFFAOYSA-N 0 0 389.381 4.343 40 0 GIABRN CC(C)[C@@H](CO)Nc1cc(N2Cc3ccccc3CC2(C)C)nc(C2CC2)n1 ZINC000329014364 212093718 /nfs/dbraw/zinc/09/37/18/212093718.db2.gz MVDXKHWNEAMYIM-LJQANCHMSA-N 0 0 380.536 4.124 40 0 GIABRN CNc1nc(Nc2cc(C)ccc2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329008118 212093763 /nfs/dbraw/zinc/09/37/63/212093763.db2.gz LPPANFDRPWRVQQ-UHFFFAOYSA-N 0 0 388.393 4.288 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2ccc3sc(C)nc3c2)cc(C(F)(F)F)n1 ZINC000329037959 212093144 /nfs/dbraw/zinc/09/31/44/212093144.db2.gz RQAVMDZPYOFIPH-VIFPVBQESA-N 0 0 381.427 4.211 40 0 GIABRN Fc1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCC3)n2)cc1Cl ZINC000328997912 212092252 /nfs/dbraw/zinc/09/22/52/212092252.db2.gz JQDAVKBPZKIMQV-UHFFFAOYSA-N 0 0 383.858 4.273 40 0 GIABRN CC(C)Nc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2ccccc2)n1 ZINC000328987601 212092074 /nfs/dbraw/zinc/09/20/74/212092074.db2.gz IBCXMCWTDBUANY-UHFFFAOYSA-N 0 0 388.393 4.450 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)cc2Cl)cc(C2CC2)n1 ZINC000329059698 212095100 /nfs/dbraw/zinc/09/51/00/212095100.db2.gz WJPMESZUUMCBCE-INIZCTEOSA-N 0 0 381.307 4.255 40 0 GIABRN COc1ccc(C(F)(F)F)cc1Nc1cc(Cl)nc(-c2ccccn2)n1 ZINC000329005293 212091809 /nfs/dbraw/zinc/09/18/09/212091809.db2.gz KXRAWBJXUCMZLL-UHFFFAOYSA-N 0 0 380.757 4.385 40 0 GIABRN COc1cc(Nc2cc(Cl)nc(-c3cccnc3)n2)c(OC)cc1Cl ZINC000329005848 212091814 /nfs/dbraw/zinc/09/18/14/212091814.db2.gz KZLKILBODQGHJF-UHFFFAOYSA-N 0 0 377.231 4.028 40 0 GIABRN Cc1ccc(Nc2cc(-c3ccncc3)nc(NC(C)C)n2)cc1C(F)(F)F ZINC000328982392 212091485 /nfs/dbraw/zinc/09/14/85/212091485.db2.gz GZTAHLLDWHGOKP-UHFFFAOYSA-N 0 0 387.409 4.274 40 0 GIABRN Fc1ccc(F)c(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)c1F ZINC000328971654 212091183 /nfs/dbraw/zinc/09/11/83/212091183.db2.gz DRLKYCXFLVJHLO-UHFFFAOYSA-N 0 0 399.420 4.288 40 0 GIABRN CNc1nc(Nc2ccc(C)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328979166 212091215 /nfs/dbraw/zinc/09/12/15/212091215.db2.gz GDOKMWFIAWXIDI-UHFFFAOYSA-N 0 0 392.356 4.119 40 0 GIABRN Cc1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCC3)n2)cc1Cl ZINC000328958434 212091223 /nfs/dbraw/zinc/09/12/23/212091223.db2.gz AOECPFMZZFGBNC-UHFFFAOYSA-N 0 0 379.895 4.442 40 0 GIABRN Cc1c(Br)cccc1Nc1cc(-c2cccnc2)nc(NC(C)C)n1 ZINC000328961945 212090994 /nfs/dbraw/zinc/09/09/94/212090994.db2.gz BFURKRJTAOPCSB-UHFFFAOYSA-N 0 0 398.308 4.017 40 0 GIABRN CC(C)(O)c1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc(C3CC3)n1)C2 ZINC000328964577 212090622 /nfs/dbraw/zinc/09/06/22/212090622.db2.gz BWDIYMKZHZUDNF-UHFFFAOYSA-N 0 0 392.547 4.499 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2ccc(Br)cc2F)cc(C2CC2)n1 ZINC000328972148 212090169 /nfs/dbraw/zinc/09/01/69/212090169.db2.gz DUHKIAFHNIRUQP-JTQLQIEISA-N 0 0 379.277 4.053 40 0 GIABRN Clc1ccccc1CNc1cc(-c2cccnc2)nc(NC2CCCCC2)n1 ZINC000328959319 212090272 /nfs/dbraw/zinc/09/02/72/212090272.db2.gz ASYLZWACZXQMDD-UHFFFAOYSA-N 0 0 393.922 4.393 40 0 GIABRN COc1cc(OC)c(OC)cc1/C=C1\C(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000409106647 533050286 /nfs/dbraw/zinc/05/02/86/533050286.db2.gz OLWPWEWXVYQZPD-MLPAPPSSSA-N 0 0 379.334 4.224 40 0 GIABRN COc1ccc(S(=O)(=O)NCCSCc2ccccc2)cc1C(C)C ZINC000408682389 533059174 /nfs/dbraw/zinc/05/91/74/533059174.db2.gz XYYOIBNJWOPRJC-UHFFFAOYSA-N 0 0 379.547 4.030 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1ccccc1C ZINC000408556225 533072675 /nfs/dbraw/zinc/07/26/75/533072675.db2.gz HDLYDEMSLUPXQO-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)cc1 ZINC000000894321 220464170 /nfs/dbraw/zinc/46/41/70/220464170.db2.gz IKSIORSBJNUOGP-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)Nc1ccc(F)cc1 ZINC000000818484 220460274 /nfs/dbraw/zinc/46/02/74/220460274.db2.gz WRTXIDOXPWJRSL-UHFFFAOYSA-N 0 0 385.386 4.244 40 0 GIABRN Cc1cccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)c1 ZINC000000856405 220461091 /nfs/dbraw/zinc/46/10/91/220461091.db2.gz FLHBZZYHVLPAAS-UHFFFAOYSA-N 0 0 389.864 4.341 40 0 GIABRN Cc1cc2c(C)ccc(C)c2n2c(SCC(=O)Nc3cccc(O)c3)nnc12 ZINC000000929720 220466563 /nfs/dbraw/zinc/46/65/63/220466563.db2.gz QCXINPYBTJHKSV-UHFFFAOYSA-N 0 0 392.484 4.244 40 0 GIABRN CCc1ccc(NC(=O)CSc2nnc(CNc3ccc(C)cc3)n2C)cc1 ZINC000000917697 220466870 /nfs/dbraw/zinc/46/68/70/220466870.db2.gz HGVCGOKPFPDIOH-UHFFFAOYSA-N 0 0 395.532 4.029 40 0 GIABRN CC(=O)Oc1cc(C)c2c(c1)O[C@]1(C[C@@H]2c2ccccc2)CC(C)(C)NC(=O)N1 ZINC000001441341 220497524 /nfs/dbraw/zinc/49/75/24/220497524.db2.gz CPICVDHGSFJJEY-WZONZLPQSA-N 0 0 394.471 4.013 40 0 GIABRN COC(=O)c1ccccc1NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000002761790 220562589 /nfs/dbraw/zinc/56/25/89/220562589.db2.gz OAKDPKPSYJFLDE-UHFFFAOYSA-N 0 0 391.423 4.386 40 0 GIABRN CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)ccc1O ZINC000002708013 220555226 /nfs/dbraw/zinc/55/52/26/220555226.db2.gz DTEURNFLCFXMBC-XDDVRUDJSA-N 0 0 375.515 4.193 40 0 GIABRN COc1cc2c(cc1C)-c1nc(NC(=O)c3ccccc3OC)sc1CC2 ZINC000409050884 533153562 /nfs/dbraw/zinc/15/35/62/533153562.db2.gz CBMZNHVTIQKZSC-UHFFFAOYSA-N 0 0 380.469 4.487 40 0 GIABRN CCc1cc2c(cc1OC(C)=O)oc(C)c(-c1nc3ccccc3n1C)c2=O ZINC000004247033 220696575 /nfs/dbraw/zinc/69/65/75/220696575.db2.gz HTTVYKXJCQENKW-UHFFFAOYSA-N 0 0 376.412 4.143 40 0 in-vitro GIABRN COc1cc2c(cc1OC)-n1cccc1[C@H](c1ccc(NC(C)=O)cc1)CC2=O ZINC000225381210 533167327 /nfs/dbraw/zinc/16/73/27/533167327.db2.gz RRVLFYDVSNMOPH-KRWDZBQOSA-N 0 0 390.439 4.171 40 0 GIABRN COc1ccc(-c2ccc(OC(=O)c3ccccc3Br)nn2)cc1 ZINC000408530926 533181234 /nfs/dbraw/zinc/18/12/34/533181234.db2.gz SKTAPDLLVYTLMW-UHFFFAOYSA-N 0 0 385.217 4.134 40 0 GIABRN C[C@H]1[C@H](NC(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)CCC[C@@H]1C ZINC000004767211 220762913 /nfs/dbraw/zinc/76/29/13/220762913.db2.gz FMFJNFIDEHMIKY-IQJOONFLSA-N 0 0 393.698 4.140 40 0 GIABRN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)/C=C/c2ccc(C(F)(F)F)cc2)[C@@H]1C ZINC000004779052 220765012 /nfs/dbraw/zinc/76/50/12/220765012.db2.gz CNIVVOBIMPWAMH-YYEDVBBQSA-N 0 0 383.410 4.203 40 0 GIABRN CCc1ccc(NC(=S)N2[C@@H]3CCC[C@H]2CC(NC(=O)C(C)(C)C)C3)cc1 ZINC000004857388 220776973 /nfs/dbraw/zinc/77/69/73/220776973.db2.gz XWUUXNSSNVGYEJ-YQQQUEKLSA-N 0 0 387.593 4.494 40 0 GIABRN Cc1ccc(C)c(NC(=S)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 ZINC000004857525 220777723 /nfs/dbraw/zinc/77/77/23/220777723.db2.gz LGLBLVJLNIKFQR-UHFFFAOYSA-N 0 0 385.508 4.034 40 0 GIABRN COc1ccc(OC)c(NC(=O)c2sc3nc4ccccc4cc3c2N)c1 ZINC000004929827 220792684 /nfs/dbraw/zinc/79/26/84/220792684.db2.gz WRXKUMXWOIHPMS-UHFFFAOYSA-N 0 0 379.441 4.301 40 0 GIABRN CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000005002912 220809265 /nfs/dbraw/zinc/80/92/65/220809265.db2.gz RUCSLFLTORKMGM-NRFANRHFSA-N 0 0 394.471 4.237 40 0 GIABRN CCOc1cc([C@H]2NC(=O)c3ccccc3O2)ccc1OCc1ccccc1 ZINC000005001213 220808001 /nfs/dbraw/zinc/80/80/01/220808001.db2.gz YCVRVNXDMUJHOY-QHCPKHFHSA-N 0 0 375.424 4.485 40 0 GIABRN [NH3+][C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(F)cc1)C(=O)[O-] ZINC000005049520 220819660 /nfs/dbraw/zinc/81/96/60/220819660.db2.gz GYNSTRCJYLZSGY-FQEVSTJZSA-N 0 0 381.472 4.263 40 0 GIABRN C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)N[C@H]1CCC[C@H](C)[C@H]1C ZINC000005324589 220857428 /nfs/dbraw/zinc/85/74/28/220857428.db2.gz LSELYNHNNZHEKN-VLXAULBPSA-N 0 0 377.485 4.297 40 0 GIABRN Cn1c(SCc2ccccc2)nnc1[C@@H]1CCCN1C(=O)Nc1ccccc1 ZINC000006234749 220925123 /nfs/dbraw/zinc/92/51/23/220925123.db2.gz ZPPXRBZWDKGTHU-SFHVURJKSA-N 0 0 393.516 4.476 40 0 GIABRN CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc(C(C)C)cc2)CC1 ZINC000006307417 220928581 /nfs/dbraw/zinc/92/85/81/220928581.db2.gz XZDWIJORNAXYBL-UHFFFAOYSA-N 0 0 393.531 4.367 40 0 GIABRN CCOc1ccc([C@@H](C)NC(=O)CSc2ccc(OC)cc2)cc1OCC ZINC000007312844 220993179 /nfs/dbraw/zinc/99/31/79/220993179.db2.gz ACAIROWFZGULOT-OAHLLOKOSA-N 0 0 389.517 4.462 40 0 GIABRN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000007307139 220993618 /nfs/dbraw/zinc/99/36/18/220993618.db2.gz YNEPRWGNPDJYLC-QFIPXVFZSA-N 0 0 394.496 4.021 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)COc3cc(C)c(Cl)c(C)c3)n2)c1 ZINC000007759294 221010228 /nfs/dbraw/zinc/01/02/28/221010228.db2.gz RPJITLYSNZGYKS-UHFFFAOYSA-N 0 0 399.878 4.353 40 0 GIABRN C[C@H](CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000008033499 221024133 /nfs/dbraw/zinc/02/41/33/221024133.db2.gz MDWUKWOEEPQVCD-QGZVFWFLSA-N 0 0 394.496 4.021 40 0 GIABRN Cc1cccc2cc(CN(Cc3ccco3)C(=O)NC3CCCCC3)c(=O)[nH]c12 ZINC000008772696 221058171 /nfs/dbraw/zinc/05/81/71/221058171.db2.gz BNRHPRKJDADTPB-UHFFFAOYSA-N 0 0 393.487 4.474 40 0 GIABRN COc1ccc(-c2cc[nH]c3nn(-c4ccc(C)c(C)c4)c(=O)c2-3)cc1OC ZINC000010157183 221098695 /nfs/dbraw/zinc/09/86/95/221098695.db2.gz YQCUZDWIZRYISD-UHFFFAOYSA-N 0 0 375.428 4.015 40 0 GIABRN Cc1nc2cc(C(=O)N3CCC[C@H](c4nc5ccccc5cc4N)C3)ccc2n1C ZINC000012088010 221149193 /nfs/dbraw/zinc/14/91/93/221149193.db2.gz YCQVMJUEHCEKKU-SFHVURJKSA-N 0 0 399.498 4.032 40 0 GIABRN CCn1c2ccccc2nc1N1CCC(C(=O)N[C@H](C)c2cccs2)CC1 ZINC000012116402 221151689 /nfs/dbraw/zinc/15/16/89/221151689.db2.gz FVLXGMISIRXHDM-OAHLLOKOSA-N 0 0 382.533 4.212 40 0 GIABRN COc1ccc2c(c1)N[C@]1(CCCN(C(=O)[C@H]3CC=CCC3)C1)c1cccn1-2 ZINC000012117306 221151736 /nfs/dbraw/zinc/15/17/36/221151736.db2.gz OESVXDDTYGKPCM-SBUREZEXSA-N 0 0 377.488 4.085 40 0 GIABRN CCc1nc2ccccc2n1CC(=O)NC1(c2ccc(OC)cc2)CCCC1 ZINC000012115987 221151906 /nfs/dbraw/zinc/15/19/06/221151906.db2.gz ZKTBDNBVHIBJGL-UHFFFAOYSA-N 0 0 377.488 4.193 40 0 GIABRN O=C1CCc2cc(S(=O)(=O)Nc3cccc(-c4ccc(F)cc4)c3)ccc2N1 ZINC000012117118 221151968 /nfs/dbraw/zinc/15/19/68/221151968.db2.gz IKQHUBLDHSYXPU-UHFFFAOYSA-N 0 0 396.443 4.178 40 0 GIABRN Cc1cnccc1C(=O)N1CCC[C@@H](c2nc3ccccn3c2NC(C)(C)C)C1 ZINC000012128165 221155659 /nfs/dbraw/zinc/15/56/59/221155659.db2.gz BPSFEOLPPPDTRV-QGZVFWFLSA-N 0 0 391.519 4.268 40 0 GIABRN O=C(NCc1cccs1)C1(Cc2ccccc2-c2ccncc2)CCOCC1 ZINC000012134129 221157100 /nfs/dbraw/zinc/15/71/00/221157100.db2.gz FZFIXOWLRVSYME-UHFFFAOYSA-N 0 0 392.524 4.466 40 0 GIABRN O=C(c1nc2ccccc2s1)C1CCN(C(=O)C2(c3ccccc3)CC2)CC1 ZINC000012132130 221157773 /nfs/dbraw/zinc/15/77/73/221157773.db2.gz GWCOASAFDWZWLD-UHFFFAOYSA-N 0 0 390.508 4.449 40 0 GIABRN CC(=O)N1c2ccc(NC(=O)CSc3nccc4ccccc43)cc2C[C@@H]1C ZINC000012148666 221159754 /nfs/dbraw/zinc/15/97/54/221159754.db2.gz GEWCRSQEFVSQCH-AWEZNQCLSA-N 0 0 391.496 4.263 40 0 GIABRN CCc1c(C)noc1-c1cnc(NCc2cccs2)nc1-c1cnc(C)cn1 ZINC000012156507 221160263 /nfs/dbraw/zinc/16/02/63/221160263.db2.gz PZYSEFMMZSESPI-UHFFFAOYSA-N 0 0 392.488 4.441 40 0 GIABRN COc1ccccc1CNc1ncc(-c2cc(C)no2)c(-c2ccc(C)nc2)n1 ZINC000012154379 221160318 /nfs/dbraw/zinc/16/03/18/221160318.db2.gz XCADFFNGAIVALQ-UHFFFAOYSA-N 0 0 387.443 4.431 40 0 GIABRN C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)cc2N1 ZINC000012183616 221162331 /nfs/dbraw/zinc/16/23/31/221162331.db2.gz VGAWASMRWWIRJT-FRFSOERESA-N 0 0 398.473 4.477 40 0 GIABRN CC(C)C(=O)N[C@H](c1nccs1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000012183354 221162646 /nfs/dbraw/zinc/16/26/46/221162646.db2.gz AYHAEPGWFHROQG-YJBOKZPZSA-N 0 0 393.503 4.147 40 0 GIABRN COc1ccc(CCNc2ncc(-c3cc(C)no3)c(-c3ccco3)n2)cc1 ZINC000012184302 221163874 /nfs/dbraw/zinc/16/38/74/221163874.db2.gz JDVGPLNWQNSFTR-UHFFFAOYSA-N 0 0 376.416 4.363 40 0 GIABRN CCC[C@H](NC(=O)c1c(C)oc2ccc(O)cc21)c1ccc2c(c1)OCCO2 ZINC000012205378 221168468 /nfs/dbraw/zinc/16/84/68/221168468.db2.gz VXHAENBDACBYFC-KRWDZBQOSA-N 0 0 381.428 4.489 40 0 GIABRN CC(C)c1cc(C(=O)N2CCC(C(=O)c3nc4ccccc4s3)CC2)on1 ZINC000012220464 221169230 /nfs/dbraw/zinc/16/92/30/221169230.db2.gz RMIQPGPBQHTBBI-UHFFFAOYSA-N 0 0 383.473 4.143 40 0 GIABRN CC(C)[C@@H](C)NC(=O)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 ZINC000012220104 221169423 /nfs/dbraw/zinc/16/94/23/221169423.db2.gz LFSYQWJNCWUSDX-CQSZACIVSA-N 0 0 392.446 4.120 40 0 GIABRN C[C@@H]1C[C@H]1C(=O)NCc1ccc(-c2nc(C3CC3)ncc2-c2ccccn2)cc1 ZINC000012221989 221169508 /nfs/dbraw/zinc/16/95/08/221169508.db2.gz ILYIFSYCOMJADB-DNVCBOLYSA-N 0 0 384.483 4.355 40 0 GIABRN Cc1ncccc1-c1cc2cccnc2n1CCCNC(=O)C1CCCCC1 ZINC000012222808 221169643 /nfs/dbraw/zinc/16/96/43/221169643.db2.gz XGUKMRFENJTJMK-UHFFFAOYSA-N 0 0 376.504 4.493 40 0 GIABRN COCc1ccc(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3Cc2ccccc2)o1 ZINC000012252999 221173630 /nfs/dbraw/zinc/17/36/30/221173630.db2.gz UVJFCYMUQBFPIC-LJQANCHMSA-N 0 0 393.487 4.114 40 0 GIABRN Cc1nc(Nc2c(Cl)cc(Cl)cc2Cl)nc(=O)n1-c1ccccc1 ZINC000012463240 221198425 /nfs/dbraw/zinc/19/84/25/221198425.db2.gz GEVSTWWHNYTHMD-UHFFFAOYSA-N 0 0 381.650 4.062 40 0 GIABRN COc1ccc2c(C)c(CC(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)oc2c1 ZINC000012893824 221242306 /nfs/dbraw/zinc/24/23/06/221242306.db2.gz BMYAQJQMDBJSDK-WNSKOXEYSA-N 0 0 383.488 4.080 40 0 GIABRN O=C(Nc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1Cl)c1ccccc1 ZINC000013369959 221268469 /nfs/dbraw/zinc/26/84/69/221268469.db2.gz FVUYXMKSDYBOLV-HZPDHXFCSA-N 0 0 380.831 4.048 40 0 GIABRN CC1(C)C[C@@H](NS(=O)(=O)Cc2c(F)cccc2Cl)c2ccccc2O1 ZINC000013646134 221279059 /nfs/dbraw/zinc/27/90/59/221279059.db2.gz GWHWXGDIOKXTSA-MRXNPFEDSA-N 0 0 383.872 4.201 40 0 GIABRN CC[C@H](C(=O)Nc1ccc(Cl)cc1C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713337 221283015 /nfs/dbraw/zinc/28/30/15/221283015.db2.gz UIPSGLMJDHHRCZ-GOSISDBHSA-N 0 0 394.924 4.140 40 0 GIABRN CCc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000014002857 221295863 /nfs/dbraw/zinc/29/58/63/221295863.db2.gz WVWATXTUJKBQCZ-UHFFFAOYSA-N 0 0 380.488 4.283 40 0 GIABRN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000013993811 221296397 /nfs/dbraw/zinc/29/63/97/221296397.db2.gz YGUHSYCEDWIFRH-SFHVURJKSA-N 0 0 388.467 4.331 40 0 GIABRN CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccoc1C ZINC000014063749 221297201 /nfs/dbraw/zinc/29/72/01/221297201.db2.gz KZUMJXHKLFBFTF-UHFFFAOYSA-N 0 0 399.501 4.207 40 0 GIABRN CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccc(F)cc1 ZINC000014081556 221298968 /nfs/dbraw/zinc/29/89/68/221298968.db2.gz VWJNRRIPMGNXLO-UHFFFAOYSA-N 0 0 384.480 4.452 40 0 GIABRN CC(C)Oc1ccccc1C(=O)Nc1ccc(I)cc1 ZINC000014663964 221314102 /nfs/dbraw/zinc/31/41/02/221314102.db2.gz YQYOWBHTVYYFJG-UHFFFAOYSA-N 0 0 381.213 4.331 40 0 GIABRN Cc1ccc2c(c1)N(C)S(=O)(=O)c1cc(C(=O)Nc3ccccc3)ccc1O2 ZINC000015109703 221334444 /nfs/dbraw/zinc/33/44/44/221334444.db2.gz RZOPVEUDPYATDJ-UHFFFAOYSA-N 0 0 394.452 4.178 40 0 GIABRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)cc1 ZINC000015348750 221335378 /nfs/dbraw/zinc/33/53/78/221335378.db2.gz IMYXMUPVGSOFCO-UHFFFAOYSA-N 0 0 394.496 4.097 40 0 GIABRN O=C(CSCc1ccc(Cl)c(Cl)c1)N1CC(=O)Nc2ccccc21 ZINC000015911687 221352021 /nfs/dbraw/zinc/35/20/21/221352021.db2.gz VTQRJRSIUABBTO-UHFFFAOYSA-N 0 0 381.284 4.212 40 0 GIABRN COC(=O)c1ccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)cc1 ZINC000016194540 221359147 /nfs/dbraw/zinc/35/91/47/221359147.db2.gz AAPLFOBSMUKDGP-VMPITWQZSA-N 0 0 380.227 4.441 40 0 GIABRN COc1ccc(CNC(=O)CSc2nccc(-c3ccc(Cl)cc3)n2)cc1 ZINC000016216805 221359485 /nfs/dbraw/zinc/35/94/85/221359485.db2.gz QDVJLVNVAGHJMJ-UHFFFAOYSA-N 0 0 399.903 4.214 40 0 GIABRN COc1ccc(CCNC(=S)Nc2ccc(Br)c(C)c2)cc1 ZINC000016221443 221359606 /nfs/dbraw/zinc/35/96/06/221359606.db2.gz HWHRPEUXUYLWGC-UHFFFAOYSA-N 0 0 379.323 4.295 40 0 GIABRN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000016398860 221362286 /nfs/dbraw/zinc/36/22/86/221362286.db2.gz BJSBXPXLDMQKSN-VZJWBNGJSA-N 0 0 379.843 4.231 40 0 GIABRN CCCCOC(=O)c1ccc2nc(NC(=O)CN3CCCCCC3)sc2c1 ZINC000016740501 221369088 /nfs/dbraw/zinc/36/90/88/221369088.db2.gz DCVLVTNLWBTBPF-UHFFFAOYSA-N 0 0 389.521 4.068 40 0 GIABRN O=C1c2ccccc2C(=O)N1CCC12C[C@H]3C[C@H](CC(Br)(C3)C1)C2 ZINC000016524341 221365268 /nfs/dbraw/zinc/36/52/68/221365268.db2.gz PWFGNOOUZSWGGV-LWYUSKRHSA-N 0 0 388.305 4.407 40 0 GIABRN CCO/C=C1\N=C(C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)OC1=O ZINC000017143049 221379695 /nfs/dbraw/zinc/37/96/95/221379695.db2.gz OOLOLFNNHRKCKQ-WJDWOHSUSA-N 0 0 392.238 4.063 40 0 GIABRN O=C(c1ccccc1)N1CCC(NC(=S)Nc2ccc(F)c(Cl)c2)CC1 ZINC000016705137 221369867 /nfs/dbraw/zinc/36/98/67/221369867.db2.gz KVWUSJHVXGPOQZ-UHFFFAOYSA-N 0 0 391.899 4.070 40 0 GIABRN Cc1ccc(C)c(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)c1 ZINC000017078641 221377232 /nfs/dbraw/zinc/37/72/32/221377232.db2.gz LJRRRWYKGWPYAD-UHFFFAOYSA-N 0 0 385.261 4.472 40 0 GIABRN Cc1ccc([C@@H](NC(=O)c2cc3ccc(N(C)C)cc3[nH]2)c2ccncc2)cc1 ZINC000019136810 221398973 /nfs/dbraw/zinc/39/89/73/221398973.db2.gz KNJNVZHACBKBSB-HSZRJFAPSA-N 0 0 384.483 4.457 40 0 GIABRN Cc1ccc([C@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000018046086 221385924 /nfs/dbraw/zinc/38/59/24/221385924.db2.gz QAVZKQOYKJVIKK-VABKMULXSA-N 0 0 398.462 4.355 40 0 GIABRN Cc1ccccc1[C@@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000017964211 221386534 /nfs/dbraw/zinc/38/65/34/221386534.db2.gz PBUZOHCUKWXQIK-QGZVFWFLSA-N 0 0 394.496 4.287 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C(=O)C1CCCC1 ZINC000019017460 221393465 /nfs/dbraw/zinc/39/34/65/221393465.db2.gz COSNJACBABRHDW-BDTNDASRSA-N 0 0 386.511 4.101 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C(=O)[C@H]1CC12CCC2 ZINC000019017441 221394194 /nfs/dbraw/zinc/39/41/94/221394194.db2.gz BAASDGQDPSTOQO-CBPXPLCBSA-N 0 0 398.522 4.101 40 0 GIABRN CC(C)C(=O)N1CCC[C@](Cc2cccc(-c3cccs3)c2)(C(=O)N(C)C)C1 ZINC000019085411 221395968 /nfs/dbraw/zinc/39/59/68/221395968.db2.gz MJSKZSXWZAJRGD-HSZRJFAPSA-N 0 0 398.572 4.311 40 0 GIABRN CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C(C)(C)C)C1 ZINC000019081006 221396830 /nfs/dbraw/zinc/39/68/30/221396830.db2.gz PNDKZVYARDARAN-VWLOTQADSA-N 0 0 392.543 4.249 40 0 GIABRN CNC(=O)[C@@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)C(C)C)C1 ZINC000019085401 221397115 /nfs/dbraw/zinc/39/71/15/221397115.db2.gz JWVCLXGEHLHXBV-XMMPIXPASA-N 0 0 396.506 4.046 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@@H]2CCCCN2C(=O)c2ccccc2F)on1 ZINC000019121944 221397484 /nfs/dbraw/zinc/39/74/84/221397484.db2.gz GPLFZLWGFWXYGT-SFHVURJKSA-N 0 0 380.423 4.255 40 0 GIABRN Cc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3Cc2cccc(Cl)c2)on1 ZINC000019120007 221397530 /nfs/dbraw/zinc/39/75/30/221397530.db2.gz HDMMCBKSISQGOU-QGZVFWFLSA-N 0 0 398.894 4.325 40 0 GIABRN Cc1ccc(C)c([C@@H](NC(=O)CCn2ncc3c2CCCC3)c2ccncc2)c1 ZINC000019132241 221397598 /nfs/dbraw/zinc/39/75/98/221397598.db2.gz GOYQUPJIKHPDKS-DEOSSOPVSA-N 0 0 388.515 4.070 40 0 GIABRN Cc1cc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)c2cccc(F)c2F)on1 ZINC000019121401 221397719 /nfs/dbraw/zinc/39/77/19/221397719.db2.gz QDWJOEAHPDVJDB-INIZCTEOSA-N 0 0 386.402 4.029 40 0 GIABRN Cc1cc(-c2snnc2[C@@H]2CCCN(Cc3ccc(F)c(F)c3)C2)on1 ZINC000019120751 221397873 /nfs/dbraw/zinc/39/78/73/221397873.db2.gz GYPBOLPEPHFLON-CYBMUJFWSA-N 0 0 376.432 4.159 40 0 GIABRN Cc1cc(C)nc(SCC(=O)N2CCC(c3cc4ccccc4cn3)CC2)n1 ZINC000019118849 221398028 /nfs/dbraw/zinc/39/80/28/221398028.db2.gz XZKUXADOKDWZSY-UHFFFAOYSA-N 0 0 392.528 4.140 40 0 GIABRN O=C(CCc1nc(-c2cccnc2)no1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000019371013 221410642 /nfs/dbraw/zinc/41/06/42/221410642.db2.gz AITBXBHIJDQTOB-HXUWFJFHSA-N 0 0 390.487 4.078 40 0 GIABRN O=C(CCc1ccccc1)N1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000019370744 221410976 /nfs/dbraw/zinc/41/09/76/221410976.db2.gz XHCGLVPSUGXCLR-QGZVFWFLSA-N 0 0 384.863 4.044 40 0 GIABRN O=C(CCCn1ccnc1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000019293318 221406654 /nfs/dbraw/zinc/40/66/54/221406654.db2.gz GYIQAJHWCLCXRZ-UHFFFAOYSA-N 0 0 394.422 4.368 40 0 GIABRN Cn1ccnc1-c1nc(NCc2ccccc2F)ncc1-c1ccc(F)cc1 ZINC000019291715 221406741 /nfs/dbraw/zinc/40/67/41/221406741.db2.gz WRJUNPOZSPSTRN-UHFFFAOYSA-N 0 0 377.398 4.434 40 0 GIABRN CC[C@H](C(=O)N1CCC[C@@H](c2ccnc(-c3ccncc3)n2)C1)c1ccccc1 ZINC000019500542 221417168 /nfs/dbraw/zinc/41/71/68/221417168.db2.gz LIVMGLMNEMNWOL-RTWAWAEBSA-N 0 0 386.499 4.438 40 0 GIABRN CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)C2CCC2)C1 ZINC000019528845 221422129 /nfs/dbraw/zinc/42/21/29/221422129.db2.gz QRMRTDHXPNEUGB-QHCPKHFHSA-N 0 0 396.556 4.113 40 0 GIABRN Cc1cc(C)n(CCCC(=O)Nc2cccc(-c3ccc(F)cc3)c2)c(=O)n1 ZINC000019658251 221438640 /nfs/dbraw/zinc/43/86/40/221438640.db2.gz SSEHWTRZZOGYPC-UHFFFAOYSA-N 0 0 379.435 4.085 40 0 GIABRN Cc1nc2ccc(Cl)cc2cc1C(=O)N(Cc1ccccn1)C[C@H]1CCCO1 ZINC000019666104 221440509 /nfs/dbraw/zinc/44/05/09/221440509.db2.gz TVGSWNPWZURNBS-LJQANCHMSA-N 0 0 395.890 4.413 40 0 GIABRN CN1CCN(C(=O)C2CCCC2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000019589597 221433408 /nfs/dbraw/zinc/43/34/08/221433408.db2.gz VQMODHUCRKEWPJ-JOCHJYFZSA-N 0 0 390.527 4.003 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1OC ZINC000020047891 221470706 /nfs/dbraw/zinc/47/07/06/221470706.db2.gz RLEVKOAETVLJHT-JOCHJYFZSA-N 0 0 397.496 4.080 40 0 GIABRN CCSc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl ZINC000020042972 221470814 /nfs/dbraw/zinc/47/08/14/221470814.db2.gz JCWAGJKJURHKOF-UHFFFAOYSA-N 0 0 384.910 4.076 40 0 GIABRN COc1ccc(S[C@@H](C)C(=O)NCCCc2ccc(F)cc2)cc1OC ZINC000020111627 221473076 /nfs/dbraw/zinc/47/30/76/221473076.db2.gz IHHZYTCPOAPDTI-AWEZNQCLSA-N 0 0 377.481 4.073 40 0 GIABRN Cc1cc2sc(NC(=O)C(C)(C)Br)nc2cc1Br ZINC000020133152 221473229 /nfs/dbraw/zinc/47/32/29/221473229.db2.gz PMODAKKCFPVCAE-UHFFFAOYSA-N 0 0 392.116 4.479 40 0 GIABRN CC[C@@H](NC(=O)CSc1ccc(OC)c(OC)c1)c1ccc(OC)cc1 ZINC000020485760 221493069 /nfs/dbraw/zinc/49/30/69/221493069.db2.gz RUPZGDPHUKYOLV-QGZVFWFLSA-N 0 0 375.490 4.072 40 0 GIABRN CC[C@H](NS(=O)(=O)c1ccc(OC)c(Br)c1)c1ccc(C)cc1 ZINC000020495174 221494434 /nfs/dbraw/zinc/49/44/34/221494434.db2.gz OKSUUZPQZPHFLP-INIZCTEOSA-N 0 0 398.322 4.196 40 0 GIABRN COc1cccc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)c1O ZINC000408816690 533387965 /nfs/dbraw/zinc/38/79/65/533387965.db2.gz UGWSGLRDWBRGTD-UHFFFAOYSA-N 0 0 375.857 4.126 40 0 GIABRN COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OC ZINC000409069221 533471226 /nfs/dbraw/zinc/47/12/26/533471226.db2.gz CGZZARJUJOXFAA-VGOFMYFVSA-N 0 0 393.226 4.108 40 0 GIABRN COc1cc(/C=C\[N+](=O)[O-])ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408543123 533481407 /nfs/dbraw/zinc/48/14/07/533481407.db2.gz PERCFFYKEROYFZ-KAMYIIQDSA-N 0 0 396.443 4.148 40 0 GIABRN COc1ccc(CNC(=O)C(=O)c2c(-c3ccc(C)cc3)cc3ccccn32)cc1 ZINC000408678590 533576303 /nfs/dbraw/zinc/57/63/03/533576303.db2.gz SXEMXAPDTOFLHS-UHFFFAOYSA-N 0 0 398.462 4.422 40 0 GIABRN COc1cc(C(=O)NCCSCc2ccccc2Cl)cc(OC)c1OC ZINC000408563717 533534170 /nfs/dbraw/zinc/53/41/70/533534170.db2.gz OIWMHVAJJWMYTJ-UHFFFAOYSA-N 0 0 395.908 4.029 40 0 GIABRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000408906295 533608856 /nfs/dbraw/zinc/60/88/56/533608856.db2.gz FVHILORTXMGGSV-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1S(=O)(=O)N1CCCC1 ZINC000408558450 533611566 /nfs/dbraw/zinc/61/15/66/533611566.db2.gz RGHTUTLQYOWSKD-UHFFFAOYSA-N 0 0 394.496 4.185 40 0 GIABRN Cc1c(Cl)cccc1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000057712352 136153881 /nfs/dbraw/zinc/15/38/81/136153881.db2.gz AFZSMLXOAXSVTI-UHFFFAOYSA-N 0 0 378.303 4.063 40 0 GIABRN O[C@H](c1cccnc1)c1ccccc1N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000072340651 136168521 /nfs/dbraw/zinc/16/85/21/136168521.db2.gz BILGVLCIATWDIF-HSZRJFAPSA-N 0 0 393.918 4.139 40 0 GIABRN Cc1ccc(N2CCCc3sc(C(=O)Nc4ccc(C)c(C)c4)nc32)nn1 ZINC000096037468 136183326 /nfs/dbraw/zinc/18/33/26/136183326.db2.gz VDVWGPPIMWQYQY-UHFFFAOYSA-N 0 0 379.489 4.195 40 0 GIABRN Clc1ccccc1Cn1nnc2c1ncnc2N1CCCc2ccccc21 ZINC000004922139 136194416 /nfs/dbraw/zinc/19/44/16/136194416.db2.gz VMLLGASWBVLMDX-UHFFFAOYSA-N 0 0 376.851 4.007 40 0 GIABRN CCCCCCc1c(C)nc(N2CCN(c3cccc(Cl)c3)CC2)[nH]c1=O ZINC000014608484 136201738 /nfs/dbraw/zinc/20/17/38/136201738.db2.gz BCAKNRZKLPLAGD-UHFFFAOYSA-N 0 0 388.943 4.181 40 0 GIABRN CCOc1ccc(C(=O)N2CCN(c3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000016691505 136202051 /nfs/dbraw/zinc/20/20/51/136202051.db2.gz DMRNRCCSZLFGQA-UHFFFAOYSA-N 0 0 395.890 4.249 40 0 GIABRN Cc1ccc(N2CCC(C(=O)Nc3ccccc3C(=O)NCC(C)C)CC2)cc1 ZINC000219855123 136204374 /nfs/dbraw/zinc/20/43/74/136204374.db2.gz IFXYJQFTRKPUEH-UHFFFAOYSA-N 0 0 393.531 4.236 40 0 GIABRN CCc1ccc(O[C@H](CC)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000222884086 136205132 /nfs/dbraw/zinc/20/51/32/136205132.db2.gz FEPOODFMFUBCDY-OAQYLSRUSA-N 0 0 386.923 4.409 40 0 GIABRN CC1CCN(c2ccc(NC(=S)NCCCc3ccc(F)cc3)cn2)CC1 ZINC000223968666 136206117 /nfs/dbraw/zinc/20/61/17/136206117.db2.gz MGLPZZOZUHWKSX-UHFFFAOYSA-N 0 0 386.540 4.376 40 0 GIABRN O=C(Nc1ccc2ccccc2c1)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000224387746 136207025 /nfs/dbraw/zinc/20/70/25/136207025.db2.gz JTLADTXNPSWWGV-UHFFFAOYSA-N 0 0 380.469 4.022 40 0 GIABRN COc1cccc2c(=O)c(I)c(-c3ccc(C)cc3)oc12 ZINC000021997159 221549589 /nfs/dbraw/zinc/54/95/89/221549589.db2.gz UWMNXJCMIRPBKX-UHFFFAOYSA-N 0 0 392.192 4.382 40 0 GIABRN Cc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)sc2c1 ZINC000027912257 221662389 /nfs/dbraw/zinc/66/23/89/221662389.db2.gz UKMZSFKUTXWSRB-GFCCVEGCSA-N 0 0 385.876 4.250 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000028189381 221668358 /nfs/dbraw/zinc/66/83/58/221668358.db2.gz NRMSCKHUMSIQJZ-UHFFFAOYSA-N 0 0 391.880 4.187 40 0 GIABRN O=C(c1sc(=S)n2c1[nH]c(=O)c1cc(Cl)ccc12)N1CCCCC1 ZINC000033251340 221777486 /nfs/dbraw/zinc/77/74/86/221777486.db2.gz AFKZBHAERMSCRV-UHFFFAOYSA-N 0 0 379.894 4.264 40 0 GIABRN COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000035289393 221814090 /nfs/dbraw/zinc/81/40/90/221814090.db2.gz JNDGHEFHTZZUEX-QGZVFWFLSA-N 0 0 391.830 4.123 40 0 GIABRN COc1ccc(NC(=S)N2CCC(n3cnc4ccccc43)CC2)c(OC)c1 ZINC000035291825 221814491 /nfs/dbraw/zinc/81/44/91/221814491.db2.gz LFMURVBFSLGVGN-UHFFFAOYSA-N 0 0 396.516 4.087 40 0 GIABRN COc1ccccc1NC(=O)c1sc2nc3cc4c(cc3cc2c1N)OCO4 ZINC000035311058 221815778 /nfs/dbraw/zinc/81/57/78/221815778.db2.gz AJZKQMZGTZOJFO-UHFFFAOYSA-N 0 0 393.424 4.021 40 0 GIABRN Cc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C(=O)Nc2cccc(F)c2)c1 ZINC000035311119 221815830 /nfs/dbraw/zinc/81/58/30/221815830.db2.gz CCMWHUCOGUKBCH-SEJPIABJSA-N 0 0 395.478 4.482 40 0 GIABRN O=C(Nc1cnn(Cc2ccccc2F)c1)c1ccc(N2CCCCC2)cc1 ZINC000035316679 221817343 /nfs/dbraw/zinc/81/73/43/221817343.db2.gz LFMPJTLPEVBVMF-UHFFFAOYSA-N 0 0 378.451 4.313 40 0 GIABRN Cc1nc2c(nnn2Cc2ccccc2Cl)c(NCc2ccccc2Cl)n1 ZINC000035315952 221817632 /nfs/dbraw/zinc/81/76/32/221817632.db2.gz YNMSLJREZFOIQF-UHFFFAOYSA-N 0 0 399.285 4.497 40 0 GIABRN Nc1ccc(C(=O)OCCCCCCCCOC(=O)c2ccc(N)cc2)cc1 ZINC000035586036 221830442 /nfs/dbraw/zinc/83/04/42/221830442.db2.gz HXNXUPQYXLLTIF-UHFFFAOYSA-N 0 0 384.476 4.205 40 0 GIABRN C[C@H](c1nc2ccccc2n1CCCCOc1ccccc1)N1CCOCC1 ZINC000039917027 221894134 /nfs/dbraw/zinc/89/41/34/221894134.db2.gz OUTKYVIRESPEOQ-LJQANCHMSA-N 0 0 379.504 4.289 40 0 GIABRN CN(CCc1ccccc1)c1ncc(-c2ccccc2F)c(-c2nccn2C)n1 ZINC000057775434 222036659 /nfs/dbraw/zinc/03/66/59/222036659.db2.gz JGUMMQJHRVZBCP-UHFFFAOYSA-N 0 0 387.462 4.362 40 0 GIABRN COc1cccc(-c2cnc(NCc3ccc(C)cc3)nc2-c2nccn2C)c1 ZINC000057775498 222036186 /nfs/dbraw/zinc/03/61/86/222036186.db2.gz XEMQGMKCXNESJI-UHFFFAOYSA-N 0 0 385.471 4.473 40 0 GIABRN COc1ccc(CCCNC(=O)CCCOc2ccc(Cl)cc2)cc1OC ZINC000065091530 222100463 /nfs/dbraw/zinc/10/04/63/222100463.db2.gz YCABCGHLJIHQGX-UHFFFAOYSA-N 0 0 391.895 4.265 40 0 GIABRN CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2-c2ccccc2)cc1 ZINC000063848776 222068926 /nfs/dbraw/zinc/06/89/26/222068926.db2.gz YXWQLUPWZKYCAH-UHFFFAOYSA-N 0 0 380.469 4.137 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(OC)cc3)o2)cc1 ZINC000063888341 222069866 /nfs/dbraw/zinc/06/98/66/222069866.db2.gz HXOOAJVYZNMRKG-UHFFFAOYSA-N 0 0 394.427 4.098 40 0 GIABRN COc1ccc(CN2[C@@H]3CC[C@H]2Cc2c3cnc3cc(C(C)(C)C)nn32)cc1O ZINC000072337382 222229723 /nfs/dbraw/zinc/22/97/23/222229723.db2.gz DESGGRXXSPYQNB-DOTOQJQBSA-N 0 0 392.503 4.003 40 0 GIABRN Cc1ccc(-c2nc(NCCc3c(C)noc3C)ncc2-c2cnccn2)s1 ZINC000072340307 222231707 /nfs/dbraw/zinc/23/17/07/222231707.db2.gz VXWCMGFFYNYPAM-UHFFFAOYSA-N 0 0 392.488 4.230 40 0 GIABRN O=C(Cc1ccccn1)N1CCC(c2cccc(Cc3ccccc3F)n2)CC1 ZINC000072349483 222236334 /nfs/dbraw/zinc/23/63/34/222236334.db2.gz PBIMKSBXGDWZEU-UHFFFAOYSA-N 0 0 389.474 4.155 40 0 GIABRN CCn1ccnc1CN1CCC(c2cccc(Cc3ccccc3OC)n2)CC1 ZINC000072350297 222236380 /nfs/dbraw/zinc/23/63/80/222236380.db2.gz CHZUXLXFZGUYOP-UHFFFAOYSA-N 0 0 390.531 4.277 40 0 GIABRN Cc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)Cc4cccnc4)C3)n2)c1 ZINC000072349393 222236555 /nfs/dbraw/zinc/23/65/55/222236555.db2.gz ZFCJSWOFIQMRKR-JOCHJYFZSA-N 0 0 385.511 4.325 40 0 GIABRN Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(C(=O)Cc3ccccn3)C2)n1 ZINC000072353907 222237848 /nfs/dbraw/zinc/23/78/48/222237848.db2.gz XXVIZNJAIWDEQP-QFIPXVFZSA-N 0 0 385.511 4.325 40 0 GIABRN O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072358928 222239736 /nfs/dbraw/zinc/23/97/36/222239736.db2.gz KZJLRUQCNHNOIC-SFHVURJKSA-N 0 0 393.437 4.371 40 0 GIABRN O=C(c1cccnc1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359501 222239826 /nfs/dbraw/zinc/23/98/26/222239826.db2.gz AZWUGEXAXXAGPX-KRWDZBQOSA-N 0 0 378.863 4.212 40 0 GIABRN O=C(Cc1ccncc1)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072357922 222239981 /nfs/dbraw/zinc/23/99/81/222239981.db2.gz KYALPOKNVIAVQP-QFIPXVFZSA-N 0 0 375.447 4.113 40 0 GIABRN COc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1 ZINC000072358484 222240086 /nfs/dbraw/zinc/24/00/86/222240086.db2.gz VPEHHHBALWYCHS-SFHVURJKSA-N 0 0 391.446 4.311 40 0 GIABRN CCc1nc2cccnc2n1[C@H]1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC000072366019 222241243 /nfs/dbraw/zinc/24/12/43/222241243.db2.gz BOQLKRFBHJQHFN-HNNXBMFYSA-N 0 0 393.878 4.216 40 0 GIABRN O=C(C1CCCC1)N1CC[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371378 222242286 /nfs/dbraw/zinc/24/22/86/222242286.db2.gz DBMMBXIYZMPOPL-INIZCTEOSA-N 0 0 387.911 4.191 40 0 GIABRN O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Nc2ccc(F)cn2)n1 ZINC000072375286 222242557 /nfs/dbraw/zinc/24/25/57/222242557.db2.gz QPNXWLANRLELSD-LJQANCHMSA-N 0 0 394.425 4.405 40 0 GIABRN Cc1ccc(Nc2nccc([C@@H]3CCCN(C(=O)CC4CCCC4)C3)n2)nc1 ZINC000072377970 222244980 /nfs/dbraw/zinc/24/49/80/222244980.db2.gz WRHXMLNJADKICZ-GOSISDBHSA-N 0 0 379.508 4.210 40 0 GIABRN CC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000072378918 222245185 /nfs/dbraw/zinc/24/51/85/222245185.db2.gz DHMVTMUGYAJJGK-FQEVSTJZSA-N 0 0 392.478 4.436 40 0 GIABRN CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 ZINC000072378893 222245266 /nfs/dbraw/zinc/24/52/66/222245266.db2.gz VIFSFAWIKALYMJ-NRFANRHFSA-N 0 0 399.498 4.217 40 0 GIABRN Cc1ccc(Oc2cc(C)nc([C@@H]3CCCCN3C(=O)C3CCOCC3)n2)cc1 ZINC000072384291 222247229 /nfs/dbraw/zinc/24/72/29/222247229.db2.gz LQWYDNBCIUWMOV-FQEVSTJZSA-N 0 0 395.503 4.366 40 0 GIABRN O=C(c1cccnc1)N1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1 ZINC000072383766 222247582 /nfs/dbraw/zinc/24/75/82/222247582.db2.gz IBMGYMAPHWRGGX-SFHVURJKSA-N 0 0 380.835 4.295 40 0 GIABRN CCCC(=O)N1CCC[C@@](Cc2cccc(-c3cccc(F)c3)c2)(C(=O)NC)C1 ZINC000072391534 222249388 /nfs/dbraw/zinc/24/93/88/222249388.db2.gz KSGZVTMWGBLNDK-DEOSSOPVSA-N 0 0 396.506 4.190 40 0 GIABRN CCNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)CC)C1 ZINC000072391289 222249913 /nfs/dbraw/zinc/24/99/13/222249913.db2.gz TYJZFJNVDSZMQE-DEOSSOPVSA-N 0 0 378.516 4.051 40 0 GIABRN Cc1cc(C[C@@H]2COC[C@H]2N(Cc2ccncc2)Cc2ccccc2Cl)on1 ZINC000072395072 222251193 /nfs/dbraw/zinc/25/11/93/222251193.db2.gz BRUPYOKZMXQWCA-DENIHFKCSA-N 0 0 397.906 4.291 40 0 GIABRN COc1cc(C=O)ccc1OCc1nc(-c2cc(Cl)ccc2Cl)no1 ZINC000089262982 222327472 /nfs/dbraw/zinc/32/74/72/222327472.db2.gz ASPIPJJXXUGEDW-UHFFFAOYSA-N 0 0 379.199 4.444 40 0 GIABRN COc1ccc(Br)c(CO)c1OCc1ccc(F)cc1Cl ZINC000095095095 222329908 /nfs/dbraw/zinc/32/99/08/222329908.db2.gz IXOJRIGDBVUHSV-UHFFFAOYSA-N 0 0 375.621 4.322 40 0 GIABRN C[C@H](c1nc2ccccc2n1CC(=O)N(C)c1ccccc1)N1CCCCC1 ZINC000076556425 222272114 /nfs/dbraw/zinc/27/21/14/222272114.db2.gz ISWBVDAKALRTEK-GOSISDBHSA-N 0 0 376.504 4.246 40 0 GIABRN CCCCN(C)C(=O)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1 ZINC000096037782 222375641 /nfs/dbraw/zinc/37/56/41/222375641.db2.gz NICLCUAWSCIVID-UHFFFAOYSA-N 0 0 389.503 4.289 40 0 GIABRN O=C(Nc1ccccc1)N1C[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000096080587 222376057 /nfs/dbraw/zinc/37/60/57/222376057.db2.gz OLHPGDQMWKWTJM-MAUKXSAKSA-N 0 0 375.394 4.054 40 0 GIABRN O=C(NCc1cccnc1)c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12 ZINC000096154733 222391137 /nfs/dbraw/zinc/39/11/37/222391137.db2.gz REUKLJGVJMGCHV-UHFFFAOYSA-N 0 0 385.471 4.243 40 0 GIABRN CCc1ccc(NC(=O)N2CC[C@]3(C[C@H]3C(=O)Nc3cccc(F)c3)C2)cc1 ZINC000096227284 222399387 /nfs/dbraw/zinc/39/93/87/222399387.db2.gz PHKHEVZUJWLCIN-UGKGYDQZSA-N 0 0 381.451 4.271 40 0 GIABRN COc1cccc(-c2ccc3c([C@H]4CCCN4C(=O)c4ccccc4)nnn3c2)c1 ZINC000096267913 222406242 /nfs/dbraw/zinc/40/62/42/222406242.db2.gz PGTNMVRRYONKPC-OAQYLSRUSA-N 0 0 398.466 4.382 40 0 GIABRN Cn1cc(-c2cnc(Nc3ccccc3)nc2)cc1C(=O)Nc1cccc(O)c1 ZINC000096266343 222406764 /nfs/dbraw/zinc/40/67/64/222406764.db2.gz BABKKPDCSODKMM-UHFFFAOYSA-N 0 0 385.427 4.184 40 0 GIABRN O=C(Nc1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1Cl)c1ccccc1 ZINC000100100607 222456135 /nfs/dbraw/zinc/45/61/35/222456135.db2.gz FVUYXMKSDYBOLV-IYBDPMFKSA-N 0 0 380.831 4.048 40 0 GIABRN CCOC(=O)[C@@]12C(=O)OC(C)(C)[C@@H]1[C@]2(CC)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000100747534 222463085 /nfs/dbraw/zinc/46/30/85/222463085.db2.gz PLDYGSKHZGDVNQ-MQNAVGNWSA-N 0 0 386.488 4.078 40 0 GIABRN Cc1ccc(CN2C(=O)N/C(=C/c3cccn3-c3ccccc3F)C2=O)cc1 ZINC000409240303 533910982 /nfs/dbraw/zinc/91/09/82/533910982.db2.gz SIYLQMSRPJPEOC-CPNJWEJPSA-N 0 0 375.403 4.018 40 0 GIABRN COc1cc(CNc2ccccc2C)cc(I)c1OC ZINC000409118473 533916215 /nfs/dbraw/zinc/91/62/15/533916215.db2.gz QLZQEHBBVNFQAL-UHFFFAOYSA-N 0 0 383.229 4.229 40 0 GIABRN COc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCCC[C@@H]2C)cc1 ZINC000408624122 533967339 /nfs/dbraw/zinc/96/73/39/533967339.db2.gz BCUCSRGQNMLUJN-HNNXBMFYSA-N 0 0 383.517 4.201 40 0 GIABRN Cc1ccc(NC(=O)CNC(=O)c2ccc(COc3ccccc3)o2)cc1Cl ZINC000408562253 534174204 /nfs/dbraw/zinc/17/42/04/534174204.db2.gz OIXPOWISZTXAKO-UHFFFAOYSA-N 0 0 398.846 4.189 40 0 GIABRN COc1ccccc1NC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCCC2 ZINC000033859935 534173589 /nfs/dbraw/zinc/17/35/89/534173589.db2.gz JKQXZKOWCFEAMF-UHFFFAOYSA-N 0 0 397.422 4.114 40 0 GIABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000408677766 534183905 /nfs/dbraw/zinc/18/39/05/534183905.db2.gz RJNPUCLICCOTEK-UHFFFAOYSA-N 0 0 398.418 4.465 40 0 GIABRN Cc1ccc(-c2nc(C(=O)OCC(=O)c3ccccc3)nn2-c2ccccc2)cc1 ZINC000408699858 534209506 /nfs/dbraw/zinc/20/95/06/534209506.db2.gz ZTRALLYUMYIBMB-UHFFFAOYSA-N 0 0 397.434 4.282 40 0 GIABRN Cc1ccc(S[C@H](C)C(=O)N(C)Cc2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000408713985 534216384 /nfs/dbraw/zinc/21/63/84/534216384.db2.gz FQUDEOHSZOUYHY-MRXNPFEDSA-N 0 0 381.501 4.493 40 0 GIABRN O=C(Nc1cnc2sc3cc(Cl)ccc3n2c1=O)c1ccc(Cl)cc1 ZINC000408608747 534450383 /nfs/dbraw/zinc/45/03/83/534450383.db2.gz PPFUOBLVHGRTOE-UHFFFAOYSA-N 0 0 390.251 4.468 40 0 GIABRN Cc1ccsc1/C=C1/SC(=O)N(CC(=O)Nc2cc(C)ccc2C)C1=O ZINC000409302105 534456545 /nfs/dbraw/zinc/45/65/45/534456545.db2.gz HLIFWHFSKGMNBP-CXUHLZMHSA-N 0 0 386.498 4.348 40 0 GIABRN O=C(Nc1nccs1)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 ZINC000408977717 534475301 /nfs/dbraw/zinc/47/53/01/534475301.db2.gz JQIOWQACPKDUSV-UHFFFAOYSA-N 0 0 386.440 4.329 40 0 GIABRN O=C(CSCc1c(F)cccc1Cl)N1CCN(c2ccccc2)CC1 ZINC000113932858 534666270 /nfs/dbraw/zinc/66/62/70/534666270.db2.gz CURMKUDVWYTSAT-UHFFFAOYSA-N 0 0 378.900 4.061 40 0 GIABRN Cc1cccc(C)c1NC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000008478067 534677396 /nfs/dbraw/zinc/67/73/96/534677396.db2.gz OHEBMNWANPKQEB-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(Cl)cc2)o1 ZINC000008571642 534829261 /nfs/dbraw/zinc/82/92/61/534829261.db2.gz GHRFPLGMHGCGMC-UHFFFAOYSA-N 0 0 389.864 4.341 40 0 GIABRN O=C(Nc1ccc2c(c1)CCC2)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408707317 534839621 /nfs/dbraw/zinc/83/96/21/534839621.db2.gz JCAADSDJSOZRCJ-AWEZNQCLSA-N 0 0 389.282 4.474 40 0 GIABRN COc1cccc(C(=O)NC[C@H]2CC[C@H](c3n[nH]cc3-c3ccncc3)CC2)c1 ZINC000100744854 525820124 /nfs/dbraw/zinc/82/01/24/525820124.db2.gz LGTWILYYOSNINI-MAEOIBBWSA-N 0 0 390.487 4.184 40 0 GIABRN Cc1ccc2[nH]c(COCC(=O)Nc3ncc(Cc4ccccc4)s3)nc2c1 ZINC000019219706 526250226 /nfs/dbraw/zinc/25/02/26/526250226.db2.gz TXYJARGUNGNSCX-UHFFFAOYSA-N 0 0 392.484 4.074 40 0 GIABRN CC(C)C(=O)NC(=S)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000408617365 527484011 /nfs/dbraw/zinc/48/40/11/527484011.db2.gz AKVLJLAMKMRYIC-UHFFFAOYSA-N 0 0 375.881 4.061 40 0 GIABRN CCCCn1nnc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)n1 ZINC000017078759 527717934 /nfs/dbraw/zinc/71/79/34/527717934.db2.gz CKWMAVRORZJCEQ-CSKARUKUSA-N 0 0 385.855 4.347 40 0 GIABRN CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000409196943 527757212 /nfs/dbraw/zinc/75/72/12/527757212.db2.gz SVNWIMREUBNMKP-UHFFFAOYSA-N 0 0 388.533 4.068 40 0 GIABRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OC)c(OC)c2)c1 ZINC000103247998 527962046 /nfs/dbraw/zinc/96/20/46/527962046.db2.gz FWCVTFJJLVUEDF-UHFFFAOYSA-N 0 0 376.840 4.348 40 0 GIABRN CCN(CC)C(=O)C(=O)c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 ZINC000014136066 527984177 /nfs/dbraw/zinc/98/41/77/527984177.db2.gz BBVXZYFJUWGRDJ-UHFFFAOYSA-N 0 0 398.890 4.425 40 0 GIABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1 ZINC000408562089 528047063 /nfs/dbraw/zinc/04/70/63/528047063.db2.gz MSKDWEKQHCTYHK-UHFFFAOYSA-N 0 0 395.912 4.323 40 0 GIABRN CC(C)COC(=O)c1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000408731707 528076693 /nfs/dbraw/zinc/07/66/93/528076693.db2.gz PHVRIHDQWVOIRN-WQRHYEAKSA-N 0 0 383.831 4.497 40 0 GIABRN CC(C)c1ccc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000113940166 528115731 /nfs/dbraw/zinc/11/57/31/528115731.db2.gz HAYYUIMCNDOPFW-AWEZNQCLSA-N 0 0 394.924 4.257 40 0 GIABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cccnc2Cl)cc1 ZINC000006630422 528225352 /nfs/dbraw/zinc/22/53/52/528225352.db2.gz SGAWXVSJYVUMHR-UHFFFAOYSA-N 0 0 395.846 4.154 40 0 GIABRN CCOc1cc(C)c(/C=c2\sc3nc4ccccc4n3c2=O)cc1C(C)C ZINC000408962911 528239488 /nfs/dbraw/zinc/23/94/88/528239488.db2.gz VZASQAOXLOAPMM-NDENLUEZSA-N 0 0 378.497 4.287 40 0 GIABRN CCOc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OCC)c1 ZINC000409237459 528368392 /nfs/dbraw/zinc/36/83/92/528368392.db2.gz WWESTKRAQWYHIZ-GZTJUZNOSA-N 0 0 386.835 4.235 40 0 GIABRN CCOc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(F)cc2)cc1 ZINC000408615898 528454462 /nfs/dbraw/zinc/45/44/62/528454462.db2.gz UKWJDOBCULGKAD-UHFFFAOYSA-N 0 0 392.430 4.407 40 0 GIABRN CCOc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccccc2F)cc1 ZINC000408840617 528482901 /nfs/dbraw/zinc/48/29/01/528482901.db2.gz DQUAIVCIQOSSQN-RCCKNPSSSA-N 0 0 387.414 4.454 40 0 GIABRN CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC1CCCC1 ZINC000408739117 528542290 /nfs/dbraw/zinc/54/22/90/528542290.db2.gz XQBFPZMNEDGIQN-JOCHJYFZSA-N 0 0 378.516 4.018 40 0 GIABRN CCOc1ccc(Nc2cc(-c3ccncc3)nc(N[C@H](CO)C(C)C)n2)cc1 ZINC000329063409 528556876 /nfs/dbraw/zinc/55/68/76/528556876.db2.gz XEBFCGPYYSWMDG-HXUWFJFHSA-N 0 0 393.491 4.110 40 0 GIABRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1ccccc1O)N2 ZINC000409362871 528595662 /nfs/dbraw/zinc/59/56/62/528595662.db2.gz HDHGHFIGWDRNCJ-SPKLELGKSA-N 0 0 398.425 4.307 40 0 GIABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cc(OC)c(OC)cc1Cl ZINC000409378396 528617284 /nfs/dbraw/zinc/61/72/84/528617284.db2.gz OTHAZJCVKIBKOX-MRXNPFEDSA-N 0 0 394.880 4.125 40 0 GIABRN CCCCOc1cccc(C(=O)Nc2ccc(I)cn2)c1 ZINC000408623910 528691800 /nfs/dbraw/zinc/69/18/00/528691800.db2.gz VCTNHRSBQLPXFQ-UHFFFAOYSA-N 0 0 396.228 4.117 40 0 GIABRN CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1 ZINC000409086204 528694488 /nfs/dbraw/zinc/69/44/88/528694488.db2.gz GKMMXNLIGAKVOP-UHFFFAOYSA-N 0 0 380.517 4.256 40 0 GIABRN CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)c(C)c1 ZINC000408988458 529102465 /nfs/dbraw/zinc/10/24/65/529102465.db2.gz IAHIGECWSVXNPA-LJQANCHMSA-N 0 0 399.878 4.426 40 0 GIABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C(C)C)cc2)ccc1OC ZINC000408586523 529107309 /nfs/dbraw/zinc/10/73/09/529107309.db2.gz OSQMRTLITRWGBI-UHFFFAOYSA-N 0 0 392.477 4.188 40 0 GIABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2cc(C)cc(C)c2)ccc1OCC ZINC000408586346 529107799 /nfs/dbraw/zinc/10/77/99/529107799.db2.gz NQPPGSYZETUQHT-UHFFFAOYSA-N 0 0 392.477 4.071 40 0 GIABRN CCc1cccc(C)c1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000408554502 529158923 /nfs/dbraw/zinc/15/89/23/529158923.db2.gz SLMSQJCMHMWVDI-MRXNPFEDSA-N 0 0 396.512 4.016 40 0 GIABRN CC[C@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N(CCOC)C2=O)cc1OC ZINC000409123377 529186560 /nfs/dbraw/zinc/18/65/60/529186560.db2.gz GQOCSAUHCPWZQU-KBVGCWLLSA-N 0 0 399.896 4.209 40 0 GIABRN COCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)Nc1ccccn1)CC2 ZINC000005396034 560201603 /nfs/dbraw/zinc/20/16/03/560201603.db2.gz CFPWUDQLRPKLQR-FUHWJXTLSA-N 0 0 382.504 4.103 40 0 biogenic,in-vitro GIABRN CCc1nc2ccccc2n1[C@H](C)C(=O)Nc1cnn(Cc2ccccc2F)c1 ZINC000019718458 570209966 /nfs/dbraw/zinc/20/99/66/570209966.db2.gz XVMFIFDUWQSYSR-OAHLLOKOSA-N 0 0 391.450 4.182 40 0 GIABRN Cc1cccc(CN(CCc2ccccc2)C(=O)c2cn3cccc(C)c3n2)n1 ZINC000019718848 570210235 /nfs/dbraw/zinc/21/02/35/570210235.db2.gz JQBUTCACXQZQIG-UHFFFAOYSA-N 0 0 384.483 4.231 40 0 GIABRN CCNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(C(F)(F)F)n1 ZINC000329051950 570215217 /nfs/dbraw/zinc/21/52/17/570215217.db2.gz VAKMIRMDWKEYAV-UHFFFAOYSA-N 0 0 384.711 4.187 40 0 GIABRN CC[C@@H](Oc1ccccc1F)C(=O)N(CC)Cc1nc(-c2cccs2)no1 ZINC000096234453 570221684 /nfs/dbraw/zinc/22/16/84/570221684.db2.gz DLSXDCACTRCDPC-CQSZACIVSA-N 0 0 389.452 4.143 40 0 GIABRN CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)CC(C)C)CC2)c2ccccc21 ZINC000096242351 570222779 /nfs/dbraw/zinc/22/27/79/570222779.db2.gz MENBAMGFRZTHFS-LJQANCHMSA-N 0 0 384.564 4.339 40 0 GIABRN COc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)cc1 ZINC000205615537 570226129 /nfs/dbraw/zinc/22/61/29/570226129.db2.gz ZRVYOIVDHLNDGS-ZHZULCJRSA-N 0 0 392.480 4.475 40 0 GIABRN Cn1cnc2c1cc(C1CCN(C(=O)c3cccnc3)CC1)nc2-c1ccccc1 ZINC000096267111 570227297 /nfs/dbraw/zinc/22/72/97/570227297.db2.gz RVAZTACZMSGBJE-UHFFFAOYSA-N 0 0 397.482 4.050 40 0 GIABRN CC1(C)C[C@]2(C[C@@H](c3ccccc3Cl)c3ccc(O)cc3O2)NC(=S)N1 ZINC000000885491 570228221 /nfs/dbraw/zinc/22/82/21/570228221.db2.gz UCGKZBPRBWAQLD-MGPUTAFESA-N 0 0 388.920 4.303 40 0 GIABRN CC(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)C[C@H]1c1ccccc1 ZINC000585261793 570228888 /nfs/dbraw/zinc/22/88/88/570228888.db2.gz LPWIFBURNGQIIB-DEOSSOPVSA-N 0 0 398.506 4.251 40 0 GIABRN CC(=O)N1CCN(C(=O)c2ccccc2Nc2ccccc2)[C@H](c2ccccc2)C1 ZINC000585261751 570228933 /nfs/dbraw/zinc/22/89/33/570228933.db2.gz GIZGTTXANMPENE-DEOSSOPVSA-N 0 0 399.494 4.476 40 0 GIABRN Clc1ccc(-c2nc3ccc(Cl)nn3c2I)cc1 ZINC000096536907 570230753 /nfs/dbraw/zinc/23/07/53/570230753.db2.gz OVNBMHRNHWNNOQ-UHFFFAOYSA-N 0 0 390.011 4.308 40 0 GIABRN Cc1cnc(Nc2cc([C@H]3CCCN(C(=O)C4CCCCC4)C3)ncn2)s1 ZINC000585262622 570230819 /nfs/dbraw/zinc/23/08/19/570230819.db2.gz JUUIBBMQDKYHTL-INIZCTEOSA-N 0 0 385.537 4.271 40 0 GIABRN COc1cccc(OC)c1/C=C/C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000020030273 570236356 /nfs/dbraw/zinc/23/63/56/570236356.db2.gz CDXDTGMDRDKLKZ-NHAQELONSA-N 0 0 390.277 4.357 40 0 GIABRN CC[C@H](Oc1ccccc1C)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000020038921 570236581 /nfs/dbraw/zinc/23/65/81/570236581.db2.gz BASQBJYDCCTWLR-FQEVSTJZSA-N 0 0 386.923 4.463 40 0 GIABRN CC[C@H](Oc1ccccc1Cl)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000020109002 570240466 /nfs/dbraw/zinc/24/04/66/570240466.db2.gz JTLOIFKXUOHDCY-INIZCTEOSA-N 0 0 377.868 4.173 40 0 GIABRN COc1cccc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2)c1 ZINC000020110216 570240737 /nfs/dbraw/zinc/24/07/37/570240737.db2.gz XOGVPKYRVAZGEF-AWEZNQCLSA-N 0 0 379.909 4.166 40 0 GIABRN COc1ccc(S[C@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000020111918 570241171 /nfs/dbraw/zinc/24/11/71/570241171.db2.gz XTPUEWKRNPEHKT-OAHLLOKOSA-N 0 0 390.936 4.178 40 0 GIABRN CCc1ccc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)cc1 ZINC000020143915 570243350 /nfs/dbraw/zinc/24/33/50/570243350.db2.gz IXXMWTVXHJWJPU-UHFFFAOYSA-N 0 0 381.428 4.027 40 0 GIABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1 ZINC000020151620 570244617 /nfs/dbraw/zinc/24/46/17/570244617.db2.gz PFVJMZGHEYBQFI-UHFFFAOYSA-N 0 0 394.496 4.437 40 0 GIABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1Cl ZINC000020453044 570257876 /nfs/dbraw/zinc/25/78/76/570257876.db2.gz BCQYRXJTCSAHNH-UHFFFAOYSA-N 0 0 385.894 4.039 40 0 GIABRN Cc1cccnc1Nc1cc([C@@H]2CCN(C(=O)/C=C/c3ccccc3)C2)nc(C)n1 ZINC000585291311 570259718 /nfs/dbraw/zinc/25/97/18/570259718.db2.gz AVBHDKIVQVOVKF-CTDFXDFQSA-N 0 0 399.498 4.261 40 0 GIABRN Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 ZINC000020487677 570262387 /nfs/dbraw/zinc/26/23/87/570262387.db2.gz WFKJSSCDBTWWAB-UHFFFAOYSA-N 0 0 394.496 4.285 40 0 GIABRN Cc1noc2nc(C(C)C)cc(C(=O)NCc3cc4ccc(C)cc4[nH]c3=O)c12 ZINC000585293963 570263462 /nfs/dbraw/zinc/26/34/62/570263462.db2.gz CDFMRPUGCASDHI-UHFFFAOYSA-N 0 0 390.443 4.147 40 0 GIABRN COc1ccc(SCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 ZINC000020494997 570263781 /nfs/dbraw/zinc/26/37/81/570263781.db2.gz IAADMKJVPXCSEJ-UHFFFAOYSA-N 0 0 384.501 4.052 40 0 GIABRN COP(=O)(CC(=O)NCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OC ZINC000001567841 570264834 /nfs/dbraw/zinc/26/48/34/570264834.db2.gz UVQIGMVGYNRRGV-UHFFFAOYSA-N 0 0 385.441 4.089 40 0 GIABRN COc1ccc(OC)c(C(=O)CCCCC(=O)c2cc(OC)ccc2OC)c1 ZINC000001564269 570265044 /nfs/dbraw/zinc/26/50/44/570265044.db2.gz NLTLAMMHZBRPCU-UHFFFAOYSA-N 0 0 386.444 4.347 40 0 GIABRN CCCc1nnc2sc(-c3ccc(NC(=O)c4ccccc4C)cc3)nn12 ZINC000020609708 570271878 /nfs/dbraw/zinc/27/18/78/570271878.db2.gz NVFZBAJAULNVQC-UHFFFAOYSA-N 0 0 377.473 4.366 40 0 GIABRN CCCc1nnc2sc(-c3ccc(NC(=O)c4ccccc4F)cc3)nn12 ZINC000020609724 570271882 /nfs/dbraw/zinc/27/18/82/570271882.db2.gz PYCBJZFRRULBHH-UHFFFAOYSA-N 0 0 381.436 4.197 40 0 GIABRN CC(C)c1ccc(-n2nc3ccc(NS(=O)(=O)c4ccccc4)cc3n2)cc1 ZINC000020610595 570271981 /nfs/dbraw/zinc/27/19/81/570271981.db2.gz WRIYIEFZQJAURA-UHFFFAOYSA-N 0 0 392.484 4.345 40 0 GIABRN CCc1nn2c(nnc(C(=O)Nc3cccc(C)c3)c2C)c1-c1ccc(F)cc1 ZINC000020672729 570274411 /nfs/dbraw/zinc/27/44/11/570274411.db2.gz VCDUZABSMUSUOZ-UHFFFAOYSA-N 0 0 389.434 4.362 40 0 GIABRN CCCCCc1c(C)nc(Nc2nc(C)c3cccc(OCC)c3n2)[nH]c1=O ZINC000020673177 570274420 /nfs/dbraw/zinc/27/44/20/570274420.db2.gz RXVFYYXYOOILHR-UHFFFAOYSA-N 0 0 381.480 4.205 40 0 GIABRN CN(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C(C)(C)C)CC2)n1 ZINC000100738942 570275681 /nfs/dbraw/zinc/27/56/81/570275681.db2.gz OADSIVLWQIEPNE-MAEOIBBWSA-N 0 0 395.551 4.041 40 0 GIABRN Cc1cc(-c2cnc(C3CC3)nc2[C@H]2CC[C@H](CNC(=O)C(C)C)CC2)on1 ZINC000100743915 570275951 /nfs/dbraw/zinc/27/59/51/570275951.db2.gz DBBYYVIUIBWGIR-IYBDPMFKSA-N 0 0 382.508 4.363 40 0 GIABRN CCCC(=O)NC[C@H]1CC[C@H](c2nc(NC3CC3)ncc2-c2cc(C)no2)CC1 ZINC000100744275 570276194 /nfs/dbraw/zinc/27/61/94/570276194.db2.gz YWZZPFSRIYVWMO-IYBDPMFKSA-N 0 0 397.523 4.204 40 0 GIABRN CCc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3ccn(C)n3)cs2)cc1 ZINC000585295408 570279801 /nfs/dbraw/zinc/27/98/01/570279801.db2.gz YLCQYQJOFWJKPC-LJQANCHMSA-N 0 0 395.532 4.028 40 0 GIABRN Cc1ccc2nc(Nc3nc(C)c(CCc4ccccc4)c(=O)[nH]3)nc(C)c2c1 ZINC000020798057 570280940 /nfs/dbraw/zinc/28/09/40/570280940.db2.gz VUXKLAPIMIHMGX-UHFFFAOYSA-N 0 0 385.471 4.167 40 0 GIABRN CCc1c(C)n(Cc2ccc(Br)cc2)c2nc3ccccc3n2c1=O ZINC000020798269 570280991 /nfs/dbraw/zinc/28/09/91/570280991.db2.gz PJCKFXNCRPZYMH-UHFFFAOYSA-N 0 0 396.288 4.331 40 0 GIABRN CCOc1ccc(N[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000101277065 570282263 /nfs/dbraw/zinc/28/22/63/570282263.db2.gz OZUYADWMRNNVNH-AWEZNQCLSA-N 0 0 379.243 4.136 40 0 GIABRN CC[C@@H](C(=O)Nc1ccccc1C)n1nc(C)n2c(cc3cc(C)ccc32)c1=O ZINC000006803377 570285220 /nfs/dbraw/zinc/28/52/20/570285220.db2.gz QVGVNRJEPYGUOV-IBGZPJMESA-N 0 0 388.471 4.164 40 0 GIABRN CCOc1ccc(C(=O)CN(c2ccc3c(c2)OCO3)C2=NCCCCC2)cc1 ZINC000006870320 570294715 /nfs/dbraw/zinc/29/47/15/570294715.db2.gz OFXMGOPYKVCYKX-UHFFFAOYSA-N 0 0 394.471 4.476 40 0 GIABRN CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000021305809 570295555 /nfs/dbraw/zinc/29/55/55/570295555.db2.gz ROOSQJTZXPVQBM-UHFFFAOYSA-N 0 0 389.260 4.363 40 0 GIABRN COc1ccc(CN(C)C(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC ZINC000216384743 570300697 /nfs/dbraw/zinc/30/06/97/570300697.db2.gz KOEWLAQTWCZXNR-HNNXBMFYSA-N 0 0 391.895 4.400 40 0 GIABRN CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CCO3)[C@H]21 ZINC000021985599 570301172 /nfs/dbraw/zinc/30/11/72/570301172.db2.gz PCRLJXQATRCBPW-SOWWUCBVSA-N 0 0 376.537 4.423 40 0 GIABRN Cc1ccc(-n2nc3cc(Br)c(N)c(Br)c3n2)c(C)c1 ZINC000575415064 570305255 /nfs/dbraw/zinc/30/52/55/570305255.db2.gz NJZQEXGLHRPBIN-UHFFFAOYSA-N 0 0 396.086 4.145 40 0 GIABRN Cc1ccc(C)c(-n2nc3cc(Br)c(N)c(Br)c3n2)c1 ZINC000575415140 570305789 /nfs/dbraw/zinc/30/57/89/570305789.db2.gz TZDIHEUKDSDHFO-UHFFFAOYSA-N 0 0 396.086 4.145 40 0 GIABRN O=S1(=O)C=C(CNc2ccccc2Cl)[C@H](Nc2ccccc2Cl)C1 ZINC000575419545 570306663 /nfs/dbraw/zinc/30/66/63/570306663.db2.gz GAUDMHCCMKQTSX-QGZVFWFLSA-N 0 0 383.300 4.198 40 0 GIABRN CCn1cc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)c2cc(Cl)ccc21 ZINC000022235033 570309193 /nfs/dbraw/zinc/30/91/93/570309193.db2.gz JSMVNYYLOULGTK-LJQANCHMSA-N 0 0 380.875 4.482 40 0 GIABRN CCOc1ccc2c(c1)c(=O)c(C(=O)N[C@H](C)c1ccc(SC)cc1)cn2C ZINC000022237446 570309509 /nfs/dbraw/zinc/30/95/09/570309509.db2.gz CYYFRHHUWGZFIR-CQSZACIVSA-N 0 0 396.512 4.150 40 0 GIABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(C)cc2)cc1 ZINC000107386182 570309684 /nfs/dbraw/zinc/30/96/84/570309684.db2.gz MGJLNCAVKNHLGN-ZHZULCJRSA-N 0 0 376.412 4.006 40 0 GIABRN CC(C)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000022394336 570316103 /nfs/dbraw/zinc/31/61/03/570316103.db2.gz KHFBBSIGNCZPKU-UHFFFAOYSA-N 0 0 396.512 4.222 40 0 GIABRN COc1ccc(CNC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1 ZINC000022411223 570316372 /nfs/dbraw/zinc/31/63/72/570316372.db2.gz XNEZYPVSLVMABE-UHFFFAOYSA-N 0 0 379.460 4.118 40 0 GIABRN CC(C)(C)OC(=O)NCCCCC(=O)c1cccnc1N1CCCCCC1 ZINC000072216742 570317828 /nfs/dbraw/zinc/31/78/28/570317828.db2.gz IACVOZWKWXGAIX-UHFFFAOYSA-N 0 0 375.513 4.340 40 0 GIABRN N[C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Br)cc1 ZINC000072227793 570319181 /nfs/dbraw/zinc/31/91/81/570319181.db2.gz PTOCXHUOOLZTDU-KGLIPLIRSA-N 0 0 386.076 4.171 40 0 GIABRN COc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1OC ZINC000022516991 570319502 /nfs/dbraw/zinc/31/95/02/570319502.db2.gz JZSAIZORCOOHFY-MRXNPFEDSA-N 0 0 379.456 4.283 40 0 GIABRN CCOc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 ZINC000022524284 570320212 /nfs/dbraw/zinc/32/02/12/570320212.db2.gz SGUJDXDPQISTQX-QFIPXVFZSA-N 0 0 381.497 4.462 40 0 GIABRN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000022534663 570321107 /nfs/dbraw/zinc/32/11/07/570321107.db2.gz WDGBJWCDEKZOQV-OAQYLSRUSA-N 0 0 394.496 4.369 40 0 GIABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 ZINC000022533766 570321191 /nfs/dbraw/zinc/32/11/91/570321191.db2.gz GQKJQGGJPKXISV-HNNXBMFYSA-N 0 0 386.517 4.200 40 0 GIABRN O=C(NCc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000048623368 570326986 /nfs/dbraw/zinc/32/69/86/570326986.db2.gz YEFYABHNFBNTQE-UHFFFAOYSA-N 0 0 391.176 4.267 40 0 GIABRN COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000003065914 570327725 /nfs/dbraw/zinc/32/77/25/570327725.db2.gz OSDWKMRZINESOL-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN Cc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000003093393 570328047 /nfs/dbraw/zinc/32/80/47/570328047.db2.gz MFMSHXVAXOEQAO-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN O[C@@H](CCCN1CCN2CCc3[nH]c4ccccc4c3[C@H]2C1)c1ccc(F)cc1 ZINC000022858945 570331446 /nfs/dbraw/zinc/33/14/46/570331446.db2.gz GGLXFWQANMJCNR-PKTZIBPZSA-N 0 0 393.506 4.036 40 0 GIABRN CCc1ccc(N(CCCC(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000113961800 570336842 /nfs/dbraw/zinc/33/68/42/570336842.db2.gz PAFXEKAKJDRXGL-UHFFFAOYSA-N 0 0 388.533 4.051 40 0 GIABRN S=C(NCc1ccc2c(c1)OCO2)c1cccc(OCc2ccccc2)c1 ZINC000408576342 570342757 /nfs/dbraw/zinc/34/27/57/570342757.db2.gz XIFSLDJUHZDHQC-UHFFFAOYSA-N 0 0 377.465 4.460 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)CCSCc1ccccc1 ZINC000219000887 570345667 /nfs/dbraw/zinc/34/56/67/570345667.db2.gz GTSZOYMURSLCAR-UHFFFAOYSA-N 0 0 387.530 4.470 40 0 GIABRN Cc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc4ccccc4c3)n2)cc1 ZINC000219033269 570346235 /nfs/dbraw/zinc/34/62/35/570346235.db2.gz YKNOMFCSCBCJCJ-INIZCTEOSA-N 0 0 387.439 4.282 40 0 GIABRN COc1ccc2nc3sc(C(=O)N4CCc5ccccc54)c(N)c3cc2c1 ZINC000004848774 570346756 /nfs/dbraw/zinc/34/67/56/570346756.db2.gz HQWOUCIQYGXTRF-UHFFFAOYSA-N 0 0 375.453 4.243 40 0 GIABRN Cc1cc(Cl)cc2c1NC(=O)[C@]2(O)[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000003589586 570348509 /nfs/dbraw/zinc/34/85/09/570348509.db2.gz JMXWDYGKEGMKQH-WMZHIEFXSA-N 0 0 391.854 4.455 40 0 GIABRN O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000219202447 570349242 /nfs/dbraw/zinc/34/92/42/570349242.db2.gz NGLQSAGJKDFGHS-UHFFFAOYSA-N 0 0 384.435 4.297 40 0 GIABRN COc1ccc([C@H](CC(C)C)NC(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000219213919 570349684 /nfs/dbraw/zinc/34/96/84/570349684.db2.gz RIVSXQRYXNNOLH-NRFANRHFSA-N 0 0 380.488 4.339 40 0 GIABRN COc1ccc(CCCNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1OC ZINC000219298359 570351863 /nfs/dbraw/zinc/35/18/63/570351863.db2.gz ALPYDQWWRBSQHR-KRWDZBQOSA-N 0 0 385.504 4.344 40 0 GIABRN COc1cc(CCNC(=O)Cc2ccccc2)ccc1OCc1ccccc1 ZINC000003847349 570351916 /nfs/dbraw/zinc/35/19/16/570351916.db2.gz VADZSMOGXJNCTO-UHFFFAOYSA-N 0 0 375.468 4.176 40 0 GIABRN COc1ccc(CCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1OC ZINC000219301954 570352138 /nfs/dbraw/zinc/35/21/38/570352138.db2.gz MVJZUQPUTBVUDT-GOSISDBHSA-N 0 0 385.504 4.145 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1cccc(C)c1C ZINC000219310551 570354025 /nfs/dbraw/zinc/35/40/25/570354025.db2.gz DAEKQYWVEMMLDP-VQIMIIECSA-N 0 0 383.488 4.498 40 0 GIABRN CC[C@H](Oc1cccc(C)c1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219319233 570354462 /nfs/dbraw/zinc/35/44/62/570354462.db2.gz CGOORISBNKNIPY-KRWDZBQOSA-N 0 0 385.851 4.172 40 0 GIABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000219323870 570354769 /nfs/dbraw/zinc/35/47/69/570354769.db2.gz PIGMHJJNMUUDJD-GOSISDBHSA-N 0 0 391.895 4.264 40 0 GIABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000219329131 570355137 /nfs/dbraw/zinc/35/51/37/570355137.db2.gz NPKHOPFFZVDUDG-GOSISDBHSA-N 0 0 383.423 4.000 40 0 GIABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 ZINC000219333163 570355423 /nfs/dbraw/zinc/35/54/23/570355423.db2.gz PLLWCOHOLKTEBA-LJQANCHMSA-N 0 0 379.460 4.136 40 0 GIABRN CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1cccc(OC)c1 ZINC000219357426 570356623 /nfs/dbraw/zinc/35/66/23/570356623.db2.gz CIQUUKGSCUWYMJ-OAQYLSRUSA-N 0 0 385.504 4.390 40 0 GIABRN O=C(c1ccc2c(c1)[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@H](c1ccccc1)N2)N1CCOCC1 ZINC000004150577 570360092 /nfs/dbraw/zinc/36/00/92/570360092.db2.gz QHAQFOIXFHDOMH-RSVOXEIVSA-N 0 0 388.511 4.456 40 0 GIABRN COc1cccc(C(=O)Nc2cc(C)c(I)c(C)c2)c1 ZINC000057315741 570360430 /nfs/dbraw/zinc/36/04/30/570360430.db2.gz GZAIRAXRQJKRHJ-UHFFFAOYSA-N 0 0 381.213 4.169 40 0 GIABRN COc1ccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1OC ZINC000023396150 570360677 /nfs/dbraw/zinc/36/06/77/570360677.db2.gz QXESDHIVRPDNNZ-UHFFFAOYSA-N 0 0 395.459 4.449 40 0 GIABRN CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1C1CCCCC1 ZINC000057577623 570362136 /nfs/dbraw/zinc/36/21/36/570362136.db2.gz PINQFMHGIFUENF-UHFFFAOYSA-N 0 0 386.521 4.279 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(C)c(C)c3)n2)c1 ZINC000219522295 570365660 /nfs/dbraw/zinc/36/56/60/570365660.db2.gz UEJDHMSJHOPNDQ-KRWDZBQOSA-N 0 0 379.460 4.088 40 0 GIABRN C[C@@H](c1nnnn1C(C)(C)C)N(Cc1cccnc1)Cc1ccccc1Cl ZINC000057614081 570365915 /nfs/dbraw/zinc/36/59/15/570365915.db2.gz AWPCEWWPJOKOCD-HNNXBMFYSA-N 0 0 384.915 4.240 40 0 GIABRN COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1)CC(C)(C)O2 ZINC000219550245 570366345 /nfs/dbraw/zinc/36/63/45/570366345.db2.gz DOMNMCNNCSZOKD-OXQOHEQNSA-N 0 0 383.488 4.498 40 0 GIABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)[C@@H]([C@H](O)C(F)(F)F)C[C@@]43C)[C@@H]1CC[C@H]2O ZINC000118917778 570367691 /nfs/dbraw/zinc/36/76/91/570367691.db2.gz HTYHKJJOVXZDHV-KLASQZKRSA-N 0 0 388.470 4.108 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccccc2F)cc1Cl ZINC000219578997 570369456 /nfs/dbraw/zinc/36/94/56/570369456.db2.gz BSZZQPNJPFCBBK-MRXNPFEDSA-N 0 0 379.815 4.452 40 0 GIABRN CCCCc1ccc(-n2nc3ccc(NC(=S)NC(=O)C(C)C)cc3n2)cc1 ZINC000408619887 570370414 /nfs/dbraw/zinc/37/04/14/570370414.db2.gz IERMDMQMXUQLBF-UHFFFAOYSA-N 0 0 395.532 4.232 40 0 GIABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCCc1ccc(F)cc1 ZINC000219681571 570372725 /nfs/dbraw/zinc/37/27/25/570372725.db2.gz IWYUTWCAPMZAKY-CYBMUJFWSA-N 0 0 380.257 4.105 40 0 GIABRN CCCC(=O)NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 ZINC000408625085 570375906 /nfs/dbraw/zinc/37/59/06/570375906.db2.gz WGBXEYBYNXHZGH-UHFFFAOYSA-N 0 0 381.457 4.298 40 0 GIABRN O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1cccs1 ZINC000408626434 570378694 /nfs/dbraw/zinc/37/86/94/570378694.db2.gz HIIPWUNWYRFKCK-UHFFFAOYSA-N 0 0 375.700 4.291 40 0 GIABRN O=C(CCc1ccccc1Cl)NCc1nc(-c2ccccc2Cl)no1 ZINC000220020685 570380287 /nfs/dbraw/zinc/38/02/87/570380287.db2.gz BQNDGIOQXIWLAM-UHFFFAOYSA-N 0 0 376.243 4.292 40 0 GIABRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2Cl)CC1 ZINC000408629170 570381861 /nfs/dbraw/zinc/38/18/61/570381861.db2.gz NMNAMENLQFJZGB-UHFFFAOYSA-N 0 0 399.922 4.349 40 0 GIABRN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O ZINC000220307612 570384900 /nfs/dbraw/zinc/38/49/00/570384900.db2.gz FNBKTTFBDNZLJG-HNNXBMFYSA-N 0 0 392.496 4.051 40 0 GIABRN CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220494505 570386948 /nfs/dbraw/zinc/38/69/48/570386948.db2.gz RHUOXZOPYVXBIL-FQEVSTJZSA-N 0 0 388.533 4.302 40 0 GIABRN CC[C@H](C(=O)Nc1cccc(Cl)c1C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220502904 570387430 /nfs/dbraw/zinc/38/74/30/570387430.db2.gz QCGJSHHMIWZUIW-GOSISDBHSA-N 0 0 394.924 4.140 40 0 GIABRN CC(=O)Oc1ccc(C2(OC(C)=O)c3ccccc3C(=O)c3ccccc32)cc1 ZINC000004683137 570393035 /nfs/dbraw/zinc/39/30/35/570393035.db2.gz PBEIRGFZERYQIM-UHFFFAOYSA-N 0 0 386.403 4.011 40 0 GIABRN CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000006349952 570395749 /nfs/dbraw/zinc/39/57/49/570395749.db2.gz CMQFPBHQKZVEJU-UHFFFAOYSA-N 0 0 389.260 4.363 40 0 GIABRN CCOc1cc(CO)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000006959418 570403891 /nfs/dbraw/zinc/40/38/91/570403891.db2.gz UJQAQGNCEPXVDJ-UHFFFAOYSA-N 0 0 384.259 4.210 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222390066 570409351 /nfs/dbraw/zinc/40/93/51/570409351.db2.gz AVNWNLURFACCCH-LJQANCHMSA-N 0 0 380.532 4.214 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 ZINC000222411998 570409884 /nfs/dbraw/zinc/40/98/84/570409884.db2.gz WWDRECLUBZNCQQ-QHCPKHFHSA-N 0 0 394.559 4.486 40 0 GIABRN CCc1cc2cc(OC)c(OC)cc2nc1SCC(=O)N1CCC[C@@H](C)C1 ZINC000004857768 570412947 /nfs/dbraw/zinc/41/29/47/570412947.db2.gz OEKVIEKVEVQNDV-CQSZACIVSA-N 0 0 388.533 4.165 40 0 GIABRN Cc1cc(C)cc(N(CCCC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)c1 ZINC000222565063 570414694 /nfs/dbraw/zinc/41/46/94/570414694.db2.gz PSTSRZGIJGQDPZ-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1O ZINC000222577106 570415183 /nfs/dbraw/zinc/41/51/83/570415183.db2.gz URJXNLZKVXVIKL-JECHBYEQSA-N 0 0 389.908 4.429 40 0 GIABRN COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222599717 570416129 /nfs/dbraw/zinc/41/61/29/570416129.db2.gz RBQBGYKQJXGKIV-ONGXBYRLSA-N 0 0 390.512 4.470 40 0 GIABRN COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 ZINC000222625776 570417520 /nfs/dbraw/zinc/41/75/20/570417520.db2.gz TWIDZZDPIISSGL-ONGXBYRLSA-N 0 0 390.512 4.470 40 0 GIABRN COc1ccc(-c2noc(CCC(=O)Nc3ccc(F)c(Cl)c3)n2)cc1 ZINC000004933055 570418619 /nfs/dbraw/zinc/41/86/19/570418619.db2.gz FGBPGFIEDIZWRA-UHFFFAOYSA-N 0 0 375.787 4.109 40 0 GIABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(OC)c(OC)cc3C)N21 ZINC000222648813 570418741 /nfs/dbraw/zinc/41/87/41/570418741.db2.gz JRSDBXNZBZJNKR-PNHOKKKMSA-N 0 0 383.517 4.387 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccccn3)N21 ZINC000222670674 570419918 /nfs/dbraw/zinc/41/99/18/570419918.db2.gz JKOOCAAOTJKZHR-CDHQVMDDSA-N 0 0 375.501 4.247 40 0 GIABRN O=C(NCCc1ccccc1F)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000004967893 570420493 /nfs/dbraw/zinc/42/04/93/570420493.db2.gz YKAJALSQYDFSQG-INIZCTEOSA-N 0 0 383.492 4.011 40 0 GIABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000222692860 570421009 /nfs/dbraw/zinc/42/10/09/570421009.db2.gz IBWYLIMAPMSDDE-HOTGVXAUSA-N 0 0 383.488 4.400 40 0 GIABRN C[C@@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccc2c(c1)OCCO2 ZINC000222738862 570423195 /nfs/dbraw/zinc/42/31/95/570423195.db2.gz SDYWCHNIAGKOQW-GFCCVEGCSA-N 0 0 395.883 4.361 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222747852 570423737 /nfs/dbraw/zinc/42/37/37/570423737.db2.gz LUJALPHKDXEDEC-LJQANCHMSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000007380367 570425368 /nfs/dbraw/zinc/42/53/68/570425368.db2.gz LOFWSLWLKMRXFP-LJQANCHMSA-N 0 0 393.314 4.500 40 0 GIABRN CC(C)(C)c1ccccc1OCC(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000222802752 570426832 /nfs/dbraw/zinc/42/68/32/570426832.db2.gz SFNNOKHNJPFXIZ-UHFFFAOYSA-N 0 0 399.878 4.383 40 0 GIABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 ZINC000222814344 570427353 /nfs/dbraw/zinc/42/73/53/570427353.db2.gz VCEGRQBPLDHFSP-KGLIPLIRSA-N 0 0 382.352 4.287 40 0 GIABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 ZINC000222814539 570427376 /nfs/dbraw/zinc/42/73/76/570427376.db2.gz ZOUZUSYYECQKTL-KBPBESRZSA-N 0 0 382.352 4.287 40 0 GIABRN Cc1ccc(-c2noc(CNC(=O)COc3cc(C)ccc3C(C)C)n2)cc1 ZINC000222820690 570427684 /nfs/dbraw/zinc/42/76/84/570427684.db2.gz FSJKTWZHDPWCAW-UHFFFAOYSA-N 0 0 379.460 4.172 40 0 GIABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 ZINC000222840885 570428507 /nfs/dbraw/zinc/42/85/07/570428507.db2.gz VTDNVYYKXONWTG-WOJBJXKFSA-N 0 0 380.492 4.392 40 0 GIABRN CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 ZINC000222881198 570429885 /nfs/dbraw/zinc/42/98/85/570429885.db2.gz PUHRPXIBBVKUDM-NRFANRHFSA-N 0 0 380.488 4.281 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222895310 570430495 /nfs/dbraw/zinc/43/04/95/570430495.db2.gz UDRGXKZUUXTRJS-KRWDZBQOSA-N 0 0 384.495 4.009 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1 ZINC000222948607 570432638 /nfs/dbraw/zinc/43/26/38/570432638.db2.gz LNHULNPJNFUZNU-LJQANCHMSA-N 0 0 398.572 4.253 40 0 GIABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 ZINC000222958444 570433123 /nfs/dbraw/zinc/43/31/23/570433123.db2.gz BIJZHWKTKRFMJG-UXHICEINSA-N 0 0 380.517 4.297 40 0 GIABRN COc1cccc(OC)c1C(=O)NCCCNc1ccnc2cc(Cl)ccc21 ZINC000222958041 570433233 /nfs/dbraw/zinc/43/32/33/570433233.db2.gz HUCQMMWIKXWMMS-UHFFFAOYSA-N 0 0 399.878 4.137 40 0 GIABRN COc1cccc(OC)c1C(=O)N1c2ccc(Br)cc2C[C@@H]1C ZINC000222956160 570433241 /nfs/dbraw/zinc/43/32/41/570433241.db2.gz QIQOVTXUAPRFIE-NSHDSACASA-N 0 0 376.250 4.058 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CSCc1ccc(C)cc1 ZINC000222967828 570433768 /nfs/dbraw/zinc/43/37/68/570433768.db2.gz QNBMFOGTNVUURO-NRFANRHFSA-N 0 0 398.572 4.090 40 0 GIABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 ZINC000222980189 570434912 /nfs/dbraw/zinc/43/49/12/570434912.db2.gz IFIPHFWHJIYYIH-LEWJYISDSA-N 0 0 391.544 4.099 40 0 GIABRN COc1ccc(CN(C(=O)C(C)C)[C@H](C)C(=O)NCCC2=CCCCC2)cc1 ZINC000222984040 570435028 /nfs/dbraw/zinc/43/50/28/570435028.db2.gz QZTPRDUCXVQFAR-GOSISDBHSA-N 0 0 386.536 4.075 40 0 GIABRN CC(=O)Oc1c(C)s/c(=N\c2ccc(Cl)c(C(F)(F)F)c2)n1C(C)=O ZINC000005375716 570436268 /nfs/dbraw/zinc/43/62/68/570436268.db2.gz JROIVZMEGLIRRG-ZHZULCJRSA-N 0 0 392.786 4.348 40 0 GIABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1nc(-c2cccc(C)c2)no1 ZINC000223002103 570436662 /nfs/dbraw/zinc/43/66/62/570436662.db2.gz IPGUMMWIYASIPX-IBGZPJMESA-N 0 0 379.460 4.136 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl ZINC000223006818 570437041 /nfs/dbraw/zinc/43/70/41/570437041.db2.gz HLIIJTLLEBOERE-HXUWFJFHSA-N 0 0 386.923 4.134 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(C)cc1 ZINC000223015091 570437225 /nfs/dbraw/zinc/43/72/25/570437225.db2.gz RMTOZLVRWMCXJT-NRFANRHFSA-N 0 0 398.572 4.090 40 0 GIABRN COc1cc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)ccc1OC(C)C ZINC000223059025 570440632 /nfs/dbraw/zinc/44/06/32/570440632.db2.gz AHYVILFRAKIEIW-QGZVFWFLSA-N 0 0 397.515 4.445 40 0 GIABRN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CC1c2ccccc2-c2ccccc21 ZINC000005460181 570440808 /nfs/dbraw/zinc/44/08/08/570440808.db2.gz IGLRIPCXKIJBFI-DEOSSOPVSA-N 0 0 399.490 4.480 40 0 GIABRN COc1cc(OC)cc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000005476659 570441312 /nfs/dbraw/zinc/44/13/12/570441312.db2.gz YIHLZUSJDMZWJR-UHFFFAOYSA-N 0 0 393.439 4.300 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 ZINC000223084479 570442072 /nfs/dbraw/zinc/44/20/72/570442072.db2.gz VFKSORHGDPLXRO-FQEVSTJZSA-N 0 0 380.532 4.180 40 0 GIABRN CSc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000223086826 570442436 /nfs/dbraw/zinc/44/24/36/570442436.db2.gz JKKCHGWVUAPCEH-JXAWBTAJSA-N 0 0 378.453 4.411 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(C)cc1 ZINC000223128551 570444993 /nfs/dbraw/zinc/44/49/93/570444993.db2.gz UQAWZTKRXWYTQW-QZTJIDSGSA-N 0 0 384.495 4.009 40 0 GIABRN O=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000039761029 570445629 /nfs/dbraw/zinc/44/56/29/570445629.db2.gz OQKQVRRHWKYWFO-UHFFFAOYSA-N 0 0 398.422 4.170 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223141732 570446338 /nfs/dbraw/zinc/44/63/38/570446338.db2.gz SHXMGCGFMJSAGF-SFHVURJKSA-N 0 0 384.495 4.010 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 ZINC000223177420 570448097 /nfs/dbraw/zinc/44/80/97/570448097.db2.gz HAEYIYZQZKOYSY-FQEVSTJZSA-N 0 0 384.495 4.090 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 ZINC000223177475 570448145 /nfs/dbraw/zinc/44/81/45/570448145.db2.gz HAEYIYZQZKOYSY-HXUWFJFHSA-N 0 0 384.495 4.090 40 0 GIABRN COc1ccc(CCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1C ZINC000223205243 570449900 /nfs/dbraw/zinc/44/99/00/570449900.db2.gz OQRBDRAJTWFVIU-UHFFFAOYSA-N 0 0 399.878 4.298 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223232208 570451530 /nfs/dbraw/zinc/45/15/30/570451530.db2.gz HMLCPHXIUVZPBI-QFIPXVFZSA-N 0 0 398.522 4.435 40 0 GIABRN COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2cccc3ccccc32)cc1 ZINC000035289395 570454046 /nfs/dbraw/zinc/45/40/46/570454046.db2.gz PQYSODCKLSHPOH-OAQYLSRUSA-N 0 0 389.455 4.483 40 0 GIABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000223280283 570455697 /nfs/dbraw/zinc/45/56/97/570455697.db2.gz KQTQYSAZCGOCQP-IBGZPJMESA-N 0 0 393.527 4.197 40 0 GIABRN COc1cc2cc3c(N)c(C(=O)Nc4ccccc4)sc3nc2cc1OC ZINC000035288876 570456493 /nfs/dbraw/zinc/45/64/93/570456493.db2.gz FNLBBOBBWUOBIA-UHFFFAOYSA-N 0 0 379.441 4.301 40 0 GIABRN CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCCOCC)c1ccccc1 ZINC000223345256 570460414 /nfs/dbraw/zinc/46/04/14/570460414.db2.gz FMMDCCSYRDZQQT-HSZRJFAPSA-N 0 0 396.531 4.099 40 0 GIABRN CCCCNc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000223413836 570464779 /nfs/dbraw/zinc/46/47/79/570464779.db2.gz ZUUBVQRZTAZZFA-UHFFFAOYSA-N 0 0 396.896 4.139 40 0 GIABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)[nH]c2C)cc1 ZINC000223410541 570465007 /nfs/dbraw/zinc/46/50/07/570465007.db2.gz RUGQFCYESKAUOI-LEWJYISDSA-N 0 0 392.528 4.208 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 ZINC000223440527 570466336 /nfs/dbraw/zinc/46/63/36/570466336.db2.gz BNMKMRAZBCBYQH-OAQYLSRUSA-N 0 0 398.522 4.399 40 0 GIABRN Cc1ccc2nc(-c3cc4cccc(C)c4[nH]c3=O)c(NC[C@H]3CCCO3)n2c1 ZINC000035312115 570467188 /nfs/dbraw/zinc/46/71/88/570467188.db2.gz UVVDFUKZZNNZBG-QGZVFWFLSA-N 0 0 388.471 4.051 40 0 GIABRN COc1cccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2cccc3c2CCCC3)c1 ZINC000035311988 570467201 /nfs/dbraw/zinc/46/72/01/570467201.db2.gz GHFLYTSZJMJGOT-OAQYLSRUSA-N 0 0 393.487 4.209 40 0 GIABRN CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C ZINC000223531902 570469908 /nfs/dbraw/zinc/46/99/08/570469908.db2.gz KHYKNTUAADAXCD-NHCUHLMSSA-N 0 0 391.544 4.088 40 0 GIABRN CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCC ZINC000223548760 570470628 /nfs/dbraw/zinc/47/06/28/570470628.db2.gz YUQSAQURXFDESN-JOCHJYFZSA-N 0 0 382.504 4.091 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C ZINC000223561434 570471643 /nfs/dbraw/zinc/47/16/43/570471643.db2.gz FQTSJABHZRMGJT-OAQYLSRUSA-N 0 0 396.531 4.098 40 0 GIABRN Cc1ccccc1-c1noc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000223592220 570473059 /nfs/dbraw/zinc/47/30/59/570473059.db2.gz FCBUBNHIAUAMKJ-UHFFFAOYSA-N 0 0 393.468 4.019 40 0 GIABRN Cc1cc2ccccc2n1CC(=O)Nc1ccc(I)cc1 ZINC000006255684 570474419 /nfs/dbraw/zinc/47/44/19/570474419.db2.gz HNHJCDAYJJYAAP-UHFFFAOYSA-N 0 0 390.224 4.193 40 0 GIABRN CCCCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000006264452 570474927 /nfs/dbraw/zinc/47/49/27/570474927.db2.gz LGGZNLJSJKUWJK-UHFFFAOYSA-N 0 0 384.295 4.429 40 0 GIABRN COc1ccc(NC(=S)NC(=O)c2ccc(C)c(C)c2)cc1Br ZINC000006276063 570475252 /nfs/dbraw/zinc/47/52/52/570475252.db2.gz RVRQBJFXVWPTCB-UHFFFAOYSA-N 0 0 393.306 4.201 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000223639369 570475841 /nfs/dbraw/zinc/47/58/41/570475841.db2.gz PSIYCGQTAZGRSN-LJQANCHMSA-N 0 0 398.572 4.090 40 0 GIABRN CC(=O)c1nn(-c2ccc(Cl)cc2Cl)/c(=N/Nc2ccccc2)s1 ZINC000006357118 570477790 /nfs/dbraw/zinc/47/77/90/570477790.db2.gz WDHFMMSQELOKFT-SILNSSARSA-N 0 0 379.272 4.371 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl ZINC000223676790 570478360 /nfs/dbraw/zinc/47/83/60/570478360.db2.gz ZKFVPGKDSQBSAD-QGZVFWFLSA-N 0 0 386.923 4.134 40 0 GIABRN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(F)c3)C(=O)[C@@H]12 ZINC000000777862 570478923 /nfs/dbraw/zinc/47/89/23/570478923.db2.gz YMZFIVUOLLUHHE-ZKKFKWFVSA-N 0 0 383.422 4.396 40 0 GIABRN COc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1Cl ZINC000000780468 570479921 /nfs/dbraw/zinc/47/99/21/570479921.db2.gz FNDBXMUVHOTYTI-UHFFFAOYSA-N 0 0 386.879 4.148 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000223726199 570481332 /nfs/dbraw/zinc/48/13/32/570481332.db2.gz RJRNSKUFDZHOCM-KRWDZBQOSA-N 0 0 386.923 4.053 40 0 GIABRN CCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccncc1 ZINC000000796391 570481893 /nfs/dbraw/zinc/48/18/93/570481893.db2.gz WTKOHFBEOZHFFO-UHFFFAOYSA-N 0 0 381.505 4.098 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1Cl ZINC000223733012 570481917 /nfs/dbraw/zinc/48/19/17/570481917.db2.gz SGMVFJHPBNKTDR-UHFFFAOYSA-N 0 0 381.925 4.467 40 0 GIABRN COc1ccc(Cl)cc1S(=O)(=O)NCCOc1ccccc1C(C)(C)C ZINC000223738532 570482297 /nfs/dbraw/zinc/48/22/97/570482297.db2.gz DDCUYCKFXOAXTB-UHFFFAOYSA-N 0 0 397.924 4.003 40 0 GIABRN O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1ccccc1Cl ZINC000006529831 570482781 /nfs/dbraw/zinc/48/27/81/570482781.db2.gz USKLXJNIAIVXHB-UHFFFAOYSA-N 0 0 376.799 4.393 40 0 GIABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C)c2C)cc1 ZINC000223755532 570483122 /nfs/dbraw/zinc/48/31/22/570483122.db2.gz YEXDAJDECYSEQZ-LEWJYISDSA-N 0 0 392.528 4.223 40 0 GIABRN CC(C)c1ccc(OCC(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1 ZINC000006569595 570483411 /nfs/dbraw/zinc/48/34/11/570483411.db2.gz NGATVHOYSANODD-UHFFFAOYSA-N 0 0 397.544 4.302 40 0 GIABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccccc1N1CCCC1 ZINC000006570948 570483540 /nfs/dbraw/zinc/48/35/40/570483540.db2.gz SSBVAOMGISXMSF-UHFFFAOYSA-N 0 0 389.908 4.076 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223757113 570483534 /nfs/dbraw/zinc/48/35/34/570483534.db2.gz XKWKVYBMJNSYEE-KRWDZBQOSA-N 0 0 386.923 4.053 40 0 GIABRN O=C(Nc1ccc(Br)cc1)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000000814840 570484648 /nfs/dbraw/zinc/48/46/48/570484648.db2.gz QQWXMZVXWZBPSI-AWEZNQCLSA-N 0 0 397.631 4.373 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223806118 570485263 /nfs/dbraw/zinc/48/52/63/570485263.db2.gz HLIHXAIUHZLSBV-FQEVSTJZSA-N 0 0 392.543 4.322 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000223809747 570485276 /nfs/dbraw/zinc/48/52/76/570485276.db2.gz CQHFAPHBBARDPS-JOCHJYFZSA-N 0 0 398.522 4.482 40 0 GIABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 ZINC000223814608 570485776 /nfs/dbraw/zinc/48/57/76/570485776.db2.gz NRQQMZPOMCOUEN-QGZVFWFLSA-N 0 0 398.934 4.359 40 0 GIABRN CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 ZINC000223915204 570490073 /nfs/dbraw/zinc/49/00/73/570490073.db2.gz MEGYHEPHLDJPMG-NHCUHLMSSA-N 0 0 391.544 4.146 40 0 GIABRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1 ZINC000223924879 570490626 /nfs/dbraw/zinc/49/06/26/570490626.db2.gz GVOLWKKNERTCIK-OAQYLSRUSA-N 0 0 394.496 4.369 40 0 GIABRN Cc1ccc(C(=O)NCC2CCCCC2)cc1S(=O)(=O)Nc1ccccc1 ZINC000223939903 570490942 /nfs/dbraw/zinc/49/09/42/570490942.db2.gz JHRKCWZAXCFQIK-UHFFFAOYSA-N 0 0 386.517 4.106 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)cc1OC ZINC000223976662 570492211 /nfs/dbraw/zinc/49/22/11/570492211.db2.gz GTJPEXODSQBVQH-UHFFFAOYSA-N 0 0 383.425 4.404 40 0 GIABRN CS(=O)(=O)Nc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1Cl ZINC000139453635 570493675 /nfs/dbraw/zinc/49/36/75/570493675.db2.gz HKXDWTWQQTUPKH-UHFFFAOYSA-N 0 0 393.679 4.271 40 0 GIABRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)s1 ZINC000223999920 570493706 /nfs/dbraw/zinc/49/37/06/570493706.db2.gz FTVPKQWRWAAANR-RTBURBONSA-N 0 0 395.509 4.357 40 0 GIABRN O=C(c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl)N1CCCC1 ZINC000224017478 570494941 /nfs/dbraw/zinc/49/49/41/570494941.db2.gz XSNUWEVKCLUFBQ-UHFFFAOYSA-N 0 0 399.299 4.030 40 0 GIABRN Cc1cc2sc(NC(=S)NC(=O)Cc3ccccc3)nc2cc1Cl ZINC000006826395 570496343 /nfs/dbraw/zinc/49/63/43/570496343.db2.gz YTLXNADPENOJCH-UHFFFAOYSA-N 0 0 375.906 4.314 40 0 GIABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000224052606 570496373 /nfs/dbraw/zinc/49/63/73/570496373.db2.gz RGXFWCPGHSVNFL-LJQANCHMSA-N 0 0 398.572 4.073 40 0 GIABRN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2C)o1 ZINC000000858836 570497506 /nfs/dbraw/zinc/49/75/06/570497506.db2.gz OQPNVZOGWYZEEF-UHFFFAOYSA-N 0 0 389.864 4.438 40 0 GIABRN Cc1cc(C)cc(OCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000224082231 570497619 /nfs/dbraw/zinc/49/76/19/570497619.db2.gz FDTRLBTULAURNW-UHFFFAOYSA-N 0 0 388.316 4.109 40 0 GIABRN O=C(Cc1ccc(Cl)cc1)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000006885817 570498362 /nfs/dbraw/zinc/49/83/62/570498362.db2.gz QOHYNHVXFCCCKX-UHFFFAOYSA-N 0 0 390.826 4.322 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224096055 570498447 /nfs/dbraw/zinc/49/84/47/570498447.db2.gz VZLRWYULSTUPNZ-FQEVSTJZSA-N 0 0 380.532 4.117 40 0 GIABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(NC(N)=S)cc1 ZINC000006911861 570498603 /nfs/dbraw/zinc/49/86/03/570498603.db2.gz DNFCHNPCKCWREO-SECBINFHSA-N 0 0 384.288 4.055 40 0 GIABRN CCc1ccc(OCC(=O)N(C)Cc2ccccc2OC)c(Br)c1 ZINC000030859964 570499300 /nfs/dbraw/zinc/49/93/00/570499300.db2.gz WEATUFWZJCMONE-UHFFFAOYSA-N 0 0 392.293 4.058 40 0 GIABRN Cc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1Cl ZINC000224147578 570500796 /nfs/dbraw/zinc/50/07/96/570500796.db2.gz IVRLFJPYSAMIHA-UHFFFAOYSA-N 0 0 386.923 4.443 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccccc3C)c2)c1 ZINC000007109189 570500800 /nfs/dbraw/zinc/50/08/00/570500800.db2.gz WFMYPHHBMJPRTP-UHFFFAOYSA-N 0 0 394.496 4.034 40 0 GIABRN Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 ZINC000224151169 570501100 /nfs/dbraw/zinc/50/11/00/570501100.db2.gz JEPKNGVUVJUPTH-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224161493 570501525 /nfs/dbraw/zinc/50/15/25/570501525.db2.gz AZLSFZGMPSOMRX-OAQYLSRUSA-N 0 0 394.559 4.426 40 0 GIABRN O=C(Cn1nc(C(F)(F)F)c2c1CCC2)Nc1ccc(Cl)cc1Cl ZINC000000869806 570501869 /nfs/dbraw/zinc/50/18/69/570501869.db2.gz WNCAGSVAFPZSPC-UHFFFAOYSA-N 0 0 378.181 4.336 40 0 GIABRN Cc1ccc(OCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000224180020 570502728 /nfs/dbraw/zinc/50/27/28/570502728.db2.gz GDVJQPCBGIMGBG-UHFFFAOYSA-N 0 0 388.316 4.109 40 0 GIABRN COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1cccc(C)c1 ZINC000224230599 570505003 /nfs/dbraw/zinc/50/50/03/570505003.db2.gz PBWBTKBUPXCHGH-SFTDATJTSA-N 0 0 392.528 4.015 40 0 GIABRN CCc1ccc(OCC(=O)Nc2cccc(COC)c2)c(Br)c1 ZINC000224248750 570505726 /nfs/dbraw/zinc/50/57/26/570505726.db2.gz CSKPSDXZPMBCRF-UHFFFAOYSA-N 0 0 378.266 4.175 40 0 GIABRN Cc1ccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1N1CCCC1=O ZINC000224248799 570505771 /nfs/dbraw/zinc/50/57/71/570505771.db2.gz BVZWRNMDDCGDFA-QGZVFWFLSA-N 0 0 392.499 4.407 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccccc1 ZINC000224253589 570505955 /nfs/dbraw/zinc/50/59/55/570505955.db2.gz NMVRXVJGLMCUSM-QFIPXVFZSA-N 0 0 396.531 4.098 40 0 GIABRN Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1 ZINC000000880341 570506149 /nfs/dbraw/zinc/50/61/49/570506149.db2.gz VFYIRIGOXMHAET-HXUWFJFHSA-N 0 0 391.471 4.050 40 0 GIABRN C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)c2cc3c(cc2O[C@@H]1N1CCCCC1)OCO3 ZINC000031860809 570506808 /nfs/dbraw/zinc/50/68/08/570506808.db2.gz BZKPASBEIZXLFA-ILFDSTAHSA-N 0 0 395.455 4.116 40 0 GIABRN Cc1cccc([C@@H]2C[C@]3(CC(C)(C)NC(=S)N3)Oc3cc(O)cc(C)c32)c1 ZINC000000881931 570508081 /nfs/dbraw/zinc/50/80/81/570508081.db2.gz AJDISCJAOFSJGQ-HTAPYJJXSA-N 0 0 382.529 4.266 40 0 GIABRN Cc1ccc(C)c(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224307303 570508138 /nfs/dbraw/zinc/50/81/38/570508138.db2.gz UATGNWYSKVKVDX-IBGZPJMESA-N 0 0 398.522 4.175 40 0 GIABRN COc1ccc(C(=O)Nc2sc(C)c(C)c2CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000019922290 570510472 /nfs/dbraw/zinc/51/04/72/570510472.db2.gz SDQQOTHGDARHHY-KBPBESRZSA-N 0 0 388.533 4.235 40 0 GIABRN CCCCc1nnc(NC(=O)/C=C/c2ccc(OCC)c(OCC)c2)s1 ZINC000027563436 570513533 /nfs/dbraw/zinc/51/35/33/570513533.db2.gz FYXLDXZPTCHUTE-ZRDIBKRKSA-N 0 0 375.494 4.330 40 0 GIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000224457066 570513743 /nfs/dbraw/zinc/51/37/43/570513743.db2.gz QXWSKVHLFWPATD-NRFANRHFSA-N 0 0 398.522 4.480 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc[nH]2)N1c1ccc(Br)cc1 ZINC000224484751 570515358 /nfs/dbraw/zinc/51/53/58/570515358.db2.gz GLYZPBRJFYXIBL-SJORKVTESA-N 0 0 399.317 4.349 40 0 GIABRN CCOc1ccc(C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1Cl ZINC000224486887 570515693 /nfs/dbraw/zinc/51/56/93/570515693.db2.gz VQVFUTNRAIRXCU-UHFFFAOYSA-N 0 0 385.851 4.369 40 0 GIABRN Cc1ccc(C)c(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224509317 570515898 /nfs/dbraw/zinc/51/58/98/570515898.db2.gz YZQBQRNTJKPGTJ-OAQYLSRUSA-N 0 0 394.559 4.078 40 0 GIABRN CC1CCN(C(=O)CSc2nnc(-c3cccnc3)n2C2CCCCC2)CC1 ZINC000000905231 570516017 /nfs/dbraw/zinc/51/60/17/570516017.db2.gz YLOQCVYLWNFJII-UHFFFAOYSA-N 0 0 399.564 4.196 40 0 GIABRN O=C(NCCc1ccc(F)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000224549171 570517715 /nfs/dbraw/zinc/51/77/15/570517715.db2.gz RXCCWWBQGWVAPV-UHFFFAOYSA-N 0 0 392.877 4.189 40 0 GIABRN CCOc1ccc(C(=O)NCc2ccco2)cc1COc1ccccc1OC ZINC000224574586 570519113 /nfs/dbraw/zinc/51/91/13/570519113.db2.gz AXOCVTKDACLSDV-UHFFFAOYSA-N 0 0 381.428 4.196 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 ZINC000224593790 570519896 /nfs/dbraw/zinc/51/98/96/570519896.db2.gz ZHZSZXFFGXZYMU-QFIPXVFZSA-N 0 0 380.532 4.117 40 0 GIABRN CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C ZINC000224599479 570520119 /nfs/dbraw/zinc/52/01/19/570520119.db2.gz WGCPWVZFXLPDAM-NHCUHLMSSA-N 0 0 392.528 4.403 40 0 GIABRN CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1O ZINC000224610394 570520333 /nfs/dbraw/zinc/52/03/33/570520333.db2.gz ARTLUASRLDTTKK-WOJBJXKFSA-N 0 0 378.501 4.347 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSc1ccccc1 ZINC000224633236 570521616 /nfs/dbraw/zinc/52/16/16/570521616.db2.gz SQYUXUPCFQNUBL-GOSISDBHSA-N 0 0 384.545 4.112 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 ZINC000224655177 570522735 /nfs/dbraw/zinc/52/27/35/570522735.db2.gz LVSLGSIMEDKEJE-FQEVSTJZSA-N 0 0 396.531 4.098 40 0 GIABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000224690993 570524772 /nfs/dbraw/zinc/52/47/72/570524772.db2.gz GILTVILCWANLOK-SRHFCSSBSA-N 0 0 380.513 4.132 40 0 GIABRN CCOc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)cc2)cc1 ZINC000033399141 570526320 /nfs/dbraw/zinc/52/63/20/570526320.db2.gz LJFLTUFCFQIPDE-QNGOZBTKSA-N 0 0 390.439 4.396 40 0 GIABRN CCOC(=O)c1ccc(C)c(N(CC)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224719857 570526558 /nfs/dbraw/zinc/52/65/58/570526558.db2.gz SQIICWXTQJRYQJ-UHFFFAOYSA-N 0 0 381.881 4.040 40 0 GIABRN CCCC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC1CCCC1 ZINC000224732281 570527366 /nfs/dbraw/zinc/52/73/66/570527366.db2.gz MWOOGBQLWFCFSD-AWEZNQCLSA-N 0 0 395.341 4.025 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000224765934 570529971 /nfs/dbraw/zinc/52/99/71/570529971.db2.gz QSMCEYTZDHUCNP-HXUWFJFHSA-N 0 0 380.532 4.098 40 0 GIABRN CCCSc1nnc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)s1 ZINC000224797141 570531369 /nfs/dbraw/zinc/53/13/69/570531369.db2.gz YDJRVFKHPQXLDQ-LBPRGKRZSA-N 0 0 377.535 4.325 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)COc3cc(C)cc(C)c3C)s2)cc1 ZINC000224835942 570533244 /nfs/dbraw/zinc/53/32/44/570533244.db2.gz IGSMNCUMTAXPHS-UHFFFAOYSA-N 0 0 383.473 4.156 40 0 GIABRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)n1C ZINC000224864728 570535118 /nfs/dbraw/zinc/53/51/18/570535118.db2.gz SEXVUBVAZMLDKD-MOPGFXCFSA-N 0 0 398.919 4.265 40 0 GIABRN CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1O ZINC000224884534 570536396 /nfs/dbraw/zinc/53/63/96/570536396.db2.gz PRFDKXBRTYUCEB-MOPGFXCFSA-N 0 0 398.919 4.439 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c(C)c1 ZINC000224898628 570537286 /nfs/dbraw/zinc/53/72/86/570537286.db2.gz XHBCHTHLXMDDIR-INIZCTEOSA-N 0 0 381.472 4.457 40 0 GIABRN COc1ccc(C(=O)CSc2nnc3c(C)cc4ccc(OC)cc4n23)cc1 ZINC000000928410 570539346 /nfs/dbraw/zinc/53/93/46/570539346.db2.gz OBBPHZVAEKYMBR-UHFFFAOYSA-N 0 0 393.468 4.183 40 0 GIABRN CCCc1nc2ccc(NC(=O)CC)cc2c(=O)n1Cc1ccccc1Cl ZINC000000930645 570540617 /nfs/dbraw/zinc/54/06/17/570540617.db2.gz YOLIGPIRZMVRLR-UHFFFAOYSA-N 0 0 383.879 4.399 40 0 GIABRN CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc(SC)cc2)c1C ZINC000224993521 570542275 /nfs/dbraw/zinc/54/22/75/570542275.db2.gz IZTZPADCSSFFGN-UHFFFAOYSA-N 0 0 393.530 4.109 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccn2)N1C1CCCC1 ZINC000225006270 570543081 /nfs/dbraw/zinc/54/30/81/570543081.db2.gz JXBHSEQEDBMVTN-NHCUHLMSSA-N 0 0 389.528 4.182 40 0 GIABRN Cc1cc(C)c(-c2cs/c(=N\c3ccccc3)n2N2CCOCC2)c(C)c1 ZINC000022762363 570543260 /nfs/dbraw/zinc/54/32/60/570543260.db2.gz HSHYTBONLYLIFB-FCQUAONHSA-N 0 0 379.529 4.342 40 0 GIABRN COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C ZINC000225013492 570543430 /nfs/dbraw/zinc/54/34/30/570543430.db2.gz OFAORFPIBRKHKI-LEWJYISDSA-N 0 0 398.576 4.061 40 0 GIABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000225015946 570543754 /nfs/dbraw/zinc/54/37/54/570543754.db2.gz ISAYUBFLPQUUSU-SFHVURJKSA-N 0 0 382.504 4.361 40 0 GIABRN COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000225016291 570543795 /nfs/dbraw/zinc/54/37/95/570543795.db2.gz XCZZMCFFYLDKPC-CYBMUJFWSA-N 0 0 398.322 4.114 40 0 GIABRN Cn1c(=O)sc2cc(NC(=O)CSCc3ccccc3Cl)ccc21 ZINC000225021367 570544114 /nfs/dbraw/zinc/54/41/14/570544114.db2.gz CRFIXWXAVBYBPA-UHFFFAOYSA-N 0 0 378.906 4.125 40 0 GIABRN CCOC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225044696 570544852 /nfs/dbraw/zinc/54/48/52/570544852.db2.gz ZZHGDUDYNIXRDM-UHFFFAOYSA-N 0 0 397.496 4.161 40 0 GIABRN Cc1cc(O[C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc(C)c1Cl ZINC000225043152 570544986 /nfs/dbraw/zinc/54/49/86/570544986.db2.gz DXIURMLTEAISIO-GFCCVEGCSA-N 0 0 390.892 4.276 40 0 GIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c(c1)sc(=O)n2C ZINC000225053057 570545678 /nfs/dbraw/zinc/54/56/78/570545678.db2.gz NPRWEVCKOHXPBZ-CQSZACIVSA-N 0 0 376.865 4.050 40 0 GIABRN CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(CC)cc1 ZINC000225066068 570546584 /nfs/dbraw/zinc/54/65/84/570546584.db2.gz KDKANWFSIRLHCE-FQEVSTJZSA-N 0 0 394.559 4.168 40 0 GIABRN CCn1c(=O)sc2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc21 ZINC000225074075 570547031 /nfs/dbraw/zinc/54/70/31/570547031.db2.gz QUIKDMRIACXVJL-UHFFFAOYSA-N 0 0 397.283 4.407 40 0 GIABRN CCn1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)ccc21 ZINC000225097684 570548808 /nfs/dbraw/zinc/54/88/08/570548808.db2.gz KYMQUAKGMRTJAA-LLVKDONJSA-N 0 0 376.865 4.142 40 0 GIABRN CCn1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)ccc21 ZINC000225121548 570550062 /nfs/dbraw/zinc/55/00/62/570550062.db2.gz BGEOOOWXHXBDFZ-GFCCVEGCSA-N 0 0 390.892 4.451 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 ZINC000225123488 570550719 /nfs/dbraw/zinc/55/07/19/570550719.db2.gz WZYKUJLBPZYYNR-UXHICEINSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 ZINC000225131158 570551014 /nfs/dbraw/zinc/55/10/14/570551014.db2.gz RQNUNQHXDLIQDD-MSOLQXFVSA-N 0 0 384.495 4.009 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 ZINC000225132363 570551395 /nfs/dbraw/zinc/55/13/95/570551395.db2.gz XXYYBVSCOSHECX-WOJBJXKFSA-N 0 0 380.532 4.178 40 0 GIABRN C[C@@H](CNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccccc1 ZINC000225139560 570551899 /nfs/dbraw/zinc/55/18/99/570551899.db2.gz PFKJLEUWGLPQEG-SZHLLGMXSA-N 0 0 390.508 4.439 40 0 GIABRN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC[C@@H](C)c2ccccc2)cc1 ZINC000225139273 570551918 /nfs/dbraw/zinc/55/19/18/570551918.db2.gz XYOMWLZSVWUURN-OSVNEOKWSA-N 0 0 388.467 4.279 40 0 GIABRN C[C@H]1CN(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C[C@H](C)O1 ZINC000035347555 570552106 /nfs/dbraw/zinc/55/21/06/570552106.db2.gz PRIUSAKWLFGHOY-GKZKBREXSA-N 0 0 399.575 4.003 40 0 GIABRN COC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)ccc1C ZINC000225151018 570552218 /nfs/dbraw/zinc/55/22/18/570552218.db2.gz BHUYQVLTJJTCGZ-UHFFFAOYSA-N 0 0 395.436 4.482 40 0 GIABRN CCc1ccc(OCCNS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000225165896 570553131 /nfs/dbraw/zinc/55/31/31/570553131.db2.gz VLUNMGYAZIUTGM-UHFFFAOYSA-N 0 0 391.533 4.047 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1 ZINC000225170232 570553699 /nfs/dbraw/zinc/55/36/99/570553699.db2.gz AIKVWLDPQPAMOK-GOSISDBHSA-N 0 0 384.495 4.092 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C ZINC000225193694 570554883 /nfs/dbraw/zinc/55/48/83/570554883.db2.gz CSNCUYSUYPWNCS-JOCHJYFZSA-N 0 0 380.532 4.180 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(C)cc1 ZINC000225193892 570555210 /nfs/dbraw/zinc/55/52/10/570555210.db2.gz XGWYKWGOAXQRDW-GOSISDBHSA-N 0 0 384.495 4.010 40 0 GIABRN CCCc1ccc(OCCNC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 ZINC000225194100 570555415 /nfs/dbraw/zinc/55/54/15/570555415.db2.gz ZFIMVJRPPYKLIC-SFHVURJKSA-N 0 0 381.516 4.480 40 0 GIABRN CCC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC1CCCCC1 ZINC000225200761 570555815 /nfs/dbraw/zinc/55/58/15/570555815.db2.gz KITJELAIYLMDBW-CQSZACIVSA-N 0 0 395.341 4.025 40 0 GIABRN CCCCNC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)CCCC2 ZINC000225256787 570559890 /nfs/dbraw/zinc/55/98/90/570559890.db2.gz JFBHBWAQGOUYHV-UHFFFAOYSA-N 0 0 380.488 4.113 40 0 GIABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000225268070 570560520 /nfs/dbraw/zinc/56/05/20/570560520.db2.gz KQMRATYCZKNGBG-KBXCAEBGSA-N 0 0 377.893 4.167 40 0 GIABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000225268027 570560528 /nfs/dbraw/zinc/56/05/28/570560528.db2.gz KQMRATYCZKNGBG-KDOFPFPSSA-N 0 0 377.893 4.167 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225273128 570561092 /nfs/dbraw/zinc/56/10/92/570561092.db2.gz KLZOQJYGZVKSGB-JOCHJYFZSA-N 0 0 398.522 4.319 40 0 GIABRN Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C2=O)c1 ZINC000100837907 570561279 /nfs/dbraw/zinc/56/12/79/570561279.db2.gz MIIQIGDVJVVLPG-BDTNDASRSA-N 0 0 384.435 4.046 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C ZINC000225280965 570561817 /nfs/dbraw/zinc/56/18/17/570561817.db2.gz OJVMCOKMIBNUDW-OAQYLSRUSA-N 0 0 384.495 4.010 40 0 GIABRN Cc1cc2cc(C)c(C)cc2n2c(SCC(=O)N3CCC[C@H](C)C3)nnc12 ZINC000001223248 570565163 /nfs/dbraw/zinc/56/51/63/570565163.db2.gz BMVBXLPFDBTTRO-ZDUSSCGKSA-N 0 0 382.533 4.158 40 0 GIABRN CC1(C)COc2ccc(C(=O)Nc3cccc(Br)c3)cc2OC1 ZINC000225359641 570567245 /nfs/dbraw/zinc/56/72/45/570567245.db2.gz NVEKWTAREXQPGX-UHFFFAOYSA-N 0 0 376.250 4.499 40 0 GIABRN COC(=O)c1ccc(OC)c(NC(=O)CCc2c(Cl)cccc2Cl)c1 ZINC000225362599 570567502 /nfs/dbraw/zinc/56/75/02/570567502.db2.gz FSHSHQPXOJOLCE-UHFFFAOYSA-N 0 0 382.243 4.360 40 0 GIABRN O=C(CSc1ccc(-c2nc3ccccc3[nH]2)cn1)Nc1cccc(F)c1 ZINC000001329705 570567985 /nfs/dbraw/zinc/56/79/85/570567985.db2.gz NCGFOJQAANFYGY-UHFFFAOYSA-N 0 0 378.432 4.495 40 0 GIABRN Cc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCC(C)CC2)cc1 ZINC000001330599 570568419 /nfs/dbraw/zinc/56/84/19/570568419.db2.gz DMYSGPNXOWSMGP-QFIPXVFZSA-N 0 0 375.520 4.046 40 0 GIABRN COc1cc(NC(=O)CSc2nc(C3CC3)nc3ccccc32)cc(OC)c1 ZINC000001332665 570569351 /nfs/dbraw/zinc/56/93/51/570569351.db2.gz AVIHHTKZRGTAPZ-UHFFFAOYSA-N 0 0 395.484 4.255 40 0 GIABRN COc1ccc(CCC(=O)N2CCc3nc(-c4ccccc4F)sc3C2)cc1 ZINC000036752095 570569798 /nfs/dbraw/zinc/56/97/98/570569798.db2.gz HQDISPURHFTRLG-UHFFFAOYSA-N 0 0 396.487 4.475 40 0 GIABRN CC[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(OC)c(C)c1 ZINC000225400078 570569812 /nfs/dbraw/zinc/56/98/12/570569812.db2.gz DBUKHYVRYTVXTO-HXUWFJFHSA-N 0 0 380.488 4.007 40 0 GIABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000225401359 570570259 /nfs/dbraw/zinc/57/02/59/570570259.db2.gz DKHVFFUFTJVAED-MRXNPFEDSA-N 0 0 387.436 4.149 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1nc(-c2ccccc2)no1 ZINC000225407015 570570667 /nfs/dbraw/zinc/57/06/67/570570667.db2.gz GHXPSNCBEWIGSM-HXUWFJFHSA-N 0 0 391.471 4.089 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000225430533 570573466 /nfs/dbraw/zinc/57/34/66/570573466.db2.gz NKJJIAOMPWGVLE-QGZVFWFLSA-N 0 0 398.522 4.219 40 0 GIABRN CC(C)C(=O)N1CCc2cc(-c3csc(NC(=O)C4CCCC4)n3)ccc21 ZINC000001353793 570573807 /nfs/dbraw/zinc/57/38/07/570573807.db2.gz SDNGZJZTRWMCEJ-UHFFFAOYSA-N 0 0 383.517 4.484 40 0 GIABRN CCOc1ccccc1CNC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 ZINC000225443733 570574580 /nfs/dbraw/zinc/57/45/80/570574580.db2.gz PSFWLKSIFOCGSS-UHFFFAOYSA-N 0 0 383.517 4.007 40 0 GIABRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSc1ccccc1 ZINC000225454614 570575776 /nfs/dbraw/zinc/57/57/76/570575776.db2.gz DDOWPYODCFEZBJ-SFHVURJKSA-N 0 0 384.545 4.111 40 0 GIABRN Cc1ccc(NC(=S)N[C@H]2CCCc3ccccc32)cc1N1CCCC1=O ZINC000225462250 570576721 /nfs/dbraw/zinc/57/67/21/570576721.db2.gz KVEXRVFFHWEIBN-IBGZPJMESA-N 0 0 379.529 4.486 40 0 GIABRN COc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)cc1 ZINC000001362856 570577241 /nfs/dbraw/zinc/57/72/41/570577241.db2.gz UFFMXXQHKBRPRL-MRXNPFEDSA-N 0 0 397.862 4.418 40 0 GIABRN COc1ccc(-c2noc([C@@H]3CCCN(C(=O)Nc4ccccc4F)C3)n2)cc1 ZINC000001362882 570577250 /nfs/dbraw/zinc/57/72/50/570577250.db2.gz MHQHDKCLANAEDX-OAHLLOKOSA-N 0 0 396.422 4.296 40 0 GIABRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000225470423 570577534 /nfs/dbraw/zinc/57/75/34/570577534.db2.gz WIDXURYVUXAUSQ-IBGZPJMESA-N 0 0 396.531 4.131 40 0 GIABRN CCCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccco1 ZINC000001364403 570578047 /nfs/dbraw/zinc/57/80/47/570578047.db2.gz YONGYSTZODVAHM-UHFFFAOYSA-N 0 0 399.501 4.289 40 0 GIABRN CCc1ccc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)cc1 ZINC000001364548 570578089 /nfs/dbraw/zinc/57/80/89/570578089.db2.gz RLMMKXJXNJVUJL-UHFFFAOYSA-N 0 0 392.528 4.497 40 0 GIABRN CC(C)c1ccc(NC(=S)NCc2ccccc2CN2CCOCC2)cc1 ZINC000038229608 570579184 /nfs/dbraw/zinc/57/91/84/570579184.db2.gz DBERTKKSGGZEJO-UHFFFAOYSA-N 0 0 383.561 4.129 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1F ZINC000225492620 570579853 /nfs/dbraw/zinc/57/98/53/570579853.db2.gz MQKCOHDVDBAQLW-UTKZUKDTSA-N 0 0 384.495 4.090 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225507479 570581436 /nfs/dbraw/zinc/58/14/36/570581436.db2.gz PTABCSKXUWOUSY-HXUWFJFHSA-N 0 0 380.532 4.178 40 0 GIABRN Cc1ccc(CN(Cc2cc3cccc(C)c3n3nnnc23)C(=O)C2CCC2)cc1 ZINC000001376838 570581769 /nfs/dbraw/zinc/58/17/69/570581769.db2.gz BAIWRGPPJPEAHW-UHFFFAOYSA-N 0 0 399.498 4.223 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCC3)ccc2C)cc1 ZINC000038754611 570581931 /nfs/dbraw/zinc/58/19/31/570581931.db2.gz NVXDWYGJBCXFJF-UHFFFAOYSA-N 0 0 386.517 4.119 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225534862 570585056 /nfs/dbraw/zinc/58/50/56/570585056.db2.gz CETQFKYPRDYHRV-FQEVSTJZSA-N 0 0 380.532 4.096 40 0 GIABRN O=C1CCCN1c1ccc(NC(=S)NCCCc2ccccc2Cl)cc1 ZINC000225541454 570586111 /nfs/dbraw/zinc/58/61/11/570586111.db2.gz RVYGFNCKQJNSNF-UHFFFAOYSA-N 0 0 387.936 4.386 40 0 GIABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000225556396 570587889 /nfs/dbraw/zinc/58/78/89/570587889.db2.gz SKGFGDLBTDUENT-QGZVFWFLSA-N 0 0 386.923 4.215 40 0 GIABRN COc1ccc(CCCNC(=S)Nc2cccc(Br)c2)cc1 ZINC000225555833 570588079 /nfs/dbraw/zinc/58/80/79/570588079.db2.gz LILOSEVBRUPYBY-UHFFFAOYSA-N 0 0 379.323 4.377 40 0 GIABRN COc1ccccc1CNC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225576610 570590414 /nfs/dbraw/zinc/59/04/14/570590414.db2.gz DJTPBUJRIOCYEF-UHFFFAOYSA-N 0 0 390.886 4.016 40 0 GIABRN O=C(CSCc1ccc(Cl)cc1F)NCc1nc(-c2ccccc2)no1 ZINC000225580932 570590850 /nfs/dbraw/zinc/59/08/50/570590850.db2.gz WGDUQWSSBKJZJV-UHFFFAOYSA-N 0 0 391.855 4.079 40 0 GIABRN O=C(NCCCOC1CCCC1)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225586316 570591449 /nfs/dbraw/zinc/59/14/49/570591449.db2.gz TVWPSMVJSAURPW-UHFFFAOYSA-N 0 0 396.934 4.157 40 0 GIABRN Cc1c(Cl)cccc1NC(=O)C[C@H]1C(=O)N(C2CC2)c2nc3ccccc3n21 ZINC000039964149 570594689 /nfs/dbraw/zinc/59/46/89/570594689.db2.gz CXRSWWRTEFRHTK-SFHVURJKSA-N 0 0 394.862 4.077 40 0 GIABRN COC(=O)c1cc(NC(=S)NCCCOC2CCCCC2)ccc1Cl ZINC000225617761 570594756 /nfs/dbraw/zinc/59/47/56/570594756.db2.gz YXVUIMBLMRXMEP-UHFFFAOYSA-N 0 0 384.929 4.152 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)NCCCc2ccc(OCC)cc2)c1 ZINC000225622752 570595736 /nfs/dbraw/zinc/59/57/36/570595736.db2.gz SOFHYPJBZBXEGL-UHFFFAOYSA-N 0 0 386.517 4.181 40 0 GIABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(F)cc2)c1 ZINC000225643933 570597797 /nfs/dbraw/zinc/59/77/97/570597797.db2.gz JBUOTEUFDNELOP-MOSHPQCFSA-N 0 0 394.471 4.283 40 0 GIABRN COc1ccc(C=Cc2ccnc3nc(N4CCc5ccccc54)[nH]c(=O)c23)cc1 ZINC000040388578 570599910 /nfs/dbraw/zinc/59/99/10/570599910.db2.gz LSECUVYAZBXIBU-RMKNXTFCSA-N 0 0 396.450 4.191 40 0 GIABRN CCOC(=O)c1cc(NC(=O)C2(c3ccccc3F)CCCC2)ccc1OC ZINC000225681488 570602325 /nfs/dbraw/zinc/60/23/25/570602325.db2.gz GTADCBAMCCNPCL-UHFFFAOYSA-N 0 0 385.435 4.462 40 0 GIABRN C[C@H](Oc1ccc(Br)cc1)C(=O)NC(C)(C)Cc1ccccc1 ZINC000225702604 570606085 /nfs/dbraw/zinc/60/60/85/570606085.db2.gz MYUURYNKRLLETR-AWEZNQCLSA-N 0 0 376.294 4.354 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1ccccc1C ZINC000225719787 570608311 /nfs/dbraw/zinc/60/83/11/570608311.db2.gz MYINQPQBTRLDRU-NRFANRHFSA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000225719168 570608466 /nfs/dbraw/zinc/60/84/66/570608466.db2.gz VLUVFDBSTSTIJU-FQEVSTJZSA-N 0 0 386.923 4.215 40 0 GIABRN Cc1ccc(-c2nnsc2C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000225776642 570616286 /nfs/dbraw/zinc/61/62/86/570616286.db2.gz TYTLZPMLMVCLRO-UHFFFAOYSA-N 0 0 392.528 4.093 40 0 GIABRN CCOC(=O)c1cc(NC(=O)C(Cl)(Cl)Cl)ccc1O[C@@H](C)CC ZINC000225783733 570617236 /nfs/dbraw/zinc/61/72/36/570617236.db2.gz BBXLERMUXUTVJD-VIFPVBQESA-N 0 0 382.671 4.349 40 0 GIABRN Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1cccc(Br)c1 ZINC000225793416 570618140 /nfs/dbraw/zinc/61/81/40/570618140.db2.gz CVRCIFQXEIWBFQ-UHFFFAOYSA-N 0 0 382.261 4.391 40 0 GIABRN Cc1nonc1NC(=O)CSc1nc2cc(Cl)ccc2c2c1CCCC2 ZINC000004093031 570618586 /nfs/dbraw/zinc/61/85/86/570618586.db2.gz KZJUVEPDMFXBJC-UHFFFAOYSA-N 0 0 388.880 4.189 40 0 aggregator GIABRN COc1ccc(SCCCNC(=S)Nc2ccc(OC)cc2OC)cc1 ZINC000225802644 570619050 /nfs/dbraw/zinc/61/90/50/570619050.db2.gz GMKNSIVOHIHMBN-UHFFFAOYSA-N 0 0 392.546 4.181 40 0 GIABRN COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(C)c2C)cc1 ZINC000225808865 570619680 /nfs/dbraw/zinc/61/96/80/570619680.db2.gz RAAKVFNTKAVUFI-LJQANCHMSA-N 0 0 391.533 4.386 40 0 GIABRN CCCCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NC(C)(C)C ZINC000004161357 570619709 /nfs/dbraw/zinc/61/97/09/570619709.db2.gz AWXPGKIWYRUDKY-UHFFFAOYSA-N 0 0 389.569 4.006 40 0 GIABRN COC(=O)c1cccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c1 ZINC000225810716 570620181 /nfs/dbraw/zinc/62/01/81/570620181.db2.gz YBILFUCMKRJHRT-UHFFFAOYSA-N 0 0 386.492 4.411 40 0 GIABRN CCOc1ccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000225820399 570621649 /nfs/dbraw/zinc/62/16/49/570621649.db2.gz VPCLDOAMALYHFT-UHFFFAOYSA-N 0 0 388.880 4.275 40 0 GIABRN S=C(NCc1nc(-c2cccs2)no1)Nc1ccc(Br)cc1 ZINC000225826698 570622139 /nfs/dbraw/zinc/62/21/39/570622139.db2.gz CCLCWPTZPYWHLH-UHFFFAOYSA-N 0 0 395.307 4.047 40 0 GIABRN CCOC(=O)c1ccccc1NC(=O)CSc1nc(CC)nc2ccccc21 ZINC000004217151 570623369 /nfs/dbraw/zinc/62/33/69/570623369.db2.gz MCDYHTLUCJWYLX-UHFFFAOYSA-N 0 0 395.484 4.100 40 0 GIABRN O=C(CSc1nc(C2CC2)nc2sc3c(c21)CCCC3)NCc1ccco1 ZINC000004217294 570623488 /nfs/dbraw/zinc/62/34/88/570623488.db2.gz NUKIUZWHVLPGCZ-UHFFFAOYSA-N 0 0 399.541 4.449 40 0 GIABRN COc1cc(NC(=O)COc2ccccc2C)ccc1NC(=O)c1cccs1 ZINC000004487805 570627888 /nfs/dbraw/zinc/62/78/88/570627888.db2.gz LQQCJGGWYCPGGT-UHFFFAOYSA-N 0 0 396.468 4.335 40 0 GIABRN COc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)cc1Cl ZINC000225919948 570633545 /nfs/dbraw/zinc/63/35/45/570633545.db2.gz SNEVHEZWGBOCCH-UHFFFAOYSA-N 0 0 379.815 4.178 40 0 GIABRN CN(C(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)C1CCCCC1 ZINC000044844837 570634803 /nfs/dbraw/zinc/63/48/03/570634803.db2.gz FYUDQVPMBSBVEA-QFIPXVFZSA-N 0 0 398.528 4.459 40 0 GIABRN C[C@@H]1C[C@H](C)CN(c2cc(Cl)nc(NC(=S)NC3CCCCC3)n2)C1 ZINC000226009509 570638513 /nfs/dbraw/zinc/63/85/13/570638513.db2.gz RXNXYJIYXCWVHG-BETUJISGSA-N 0 0 381.977 4.231 40 0 GIABRN FC(F)(F)c1cc(N2CCCC2)nc(NC(=S)NC2CCCCCC2)n1 ZINC000226011058 570638552 /nfs/dbraw/zinc/63/85/52/570638552.db2.gz KSGSZCCYJBWJQP-UHFFFAOYSA-N 0 0 387.475 4.105 40 0 GIABRN Cc1ccc2oc(=O)c(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2c1 ZINC000226037385 570639549 /nfs/dbraw/zinc/63/95/49/570639549.db2.gz CLHWFQXQIDQEMD-UHFFFAOYSA-N 0 0 396.874 4.026 40 0 GIABRN COc1ccccc1CN(C)C(=O)CSCc1ccc(Br)cc1 ZINC000044901088 570640393 /nfs/dbraw/zinc/64/03/93/570640393.db2.gz RSFAXGJTGFGFGY-UHFFFAOYSA-N 0 0 394.334 4.350 40 0 GIABRN Cc1ccc(C(=O)NC2CCN(C(=S)Nc3cccc(Cl)c3)CC2)cc1 ZINC000004888656 570643641 /nfs/dbraw/zinc/64/36/41/570643641.db2.gz LRZZXPDOOJUUPD-UHFFFAOYSA-N 0 0 387.936 4.240 40 0 GIABRN O=C(NCc1ccco1)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000004952973 570646436 /nfs/dbraw/zinc/64/64/36/570646436.db2.gz HHXUGBROHTWTSO-JSGCOSHPSA-N 0 0 396.394 4.128 40 0 GIABRN Cc1ccc(NC(=S)NCc2ccccc2CN2CCCC2=O)cc1Cl ZINC000045704340 570648175 /nfs/dbraw/zinc/64/81/75/570648175.db2.gz UOTDISSNAULAGZ-UHFFFAOYSA-N 0 0 387.936 4.257 40 0 GIABRN CCCN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@H]1c1ccc(OC)cc1OC ZINC000004909709 570648493 /nfs/dbraw/zinc/64/84/93/570648493.db2.gz IAHLPZRLJOZZCU-OAQYLSRUSA-N 0 0 395.434 4.188 40 0 GIABRN Cn1c(CNC(=O)Nc2ccccc2Cl)nnc1SCc1ccccc1 ZINC000005001675 570651824 /nfs/dbraw/zinc/65/18/24/570651824.db2.gz AERJPFUBOKHEMQ-UHFFFAOYSA-N 0 0 387.896 4.083 40 0 GIABRN O=C(Nc1ccc(F)cc1)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000004965444 570653744 /nfs/dbraw/zinc/65/37/44/570653744.db2.gz UEPKIFNEQOUMGP-UHFFFAOYSA-N 0 0 375.831 4.362 40 0 GIABRN Cc1cccc(NC(=O)N2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)c1 ZINC000004965540 570653766 /nfs/dbraw/zinc/65/37/66/570653766.db2.gz PUXGMSJQHXBFGM-QFIPXVFZSA-N 0 0 391.515 4.433 40 0 GIABRN CCOc1ccc2[nH]c3nc(SCC(=O)c4ccccc4F)nnc3c2c1 ZINC000005444679 570662884 /nfs/dbraw/zinc/66/28/84/570662884.db2.gz HCJKKRWOWCAVMA-UHFFFAOYSA-N 0 0 382.420 4.019 40 0 GIABRN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc3c(c1)OCO3)S[C@@H](C)C(=O)N2 ZINC000006678940 570673165 /nfs/dbraw/zinc/67/31/65/570673165.db2.gz KNRJRGUBWSQPDO-ORAYPTAESA-N 0 0 393.468 4.073 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@H]3c2ccsc2)cc1 ZINC000006679350 570673553 /nfs/dbraw/zinc/67/35/53/570673553.db2.gz JRMNTEYAGGNEOF-SJCJKPOMSA-N 0 0 385.514 4.414 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@@H]3c2ccc(F)cc2)cc1 ZINC000006679287 570673620 /nfs/dbraw/zinc/67/36/20/570673620.db2.gz ZJUBFXCTOUIGQR-ORAYPTAESA-N 0 0 397.475 4.492 40 0 GIABRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1 ZINC000096583570 570673986 /nfs/dbraw/zinc/67/39/86/570673986.db2.gz VGJLTXFFZNSFSL-LDADJPATSA-N 0 0 380.469 4.485 40 0 GIABRN COc1ccc(OC)c([C@@H](C)NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000008354959 570679593 /nfs/dbraw/zinc/67/95/93/570679593.db2.gz IIAZYFHMFKGXHE-LLVKDONJSA-N 0 0 384.259 4.267 40 0 GIABRN CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)ccc1OC ZINC000408772994 570682671 /nfs/dbraw/zinc/68/26/71/570682671.db2.gz ODYYPTPEBLSYFE-FNGUVFISSA-N 0 0 384.501 4.256 40 0 GIABRN COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c(OC)c1 ZINC000052411912 570684808 /nfs/dbraw/zinc/68/48/08/570684808.db2.gz NSMNOKCDJRIABO-UHFFFAOYSA-N 0 0 376.412 4.208 40 0 GIABRN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1-c1cn2c(n1)SCC2 ZINC000244909675 570698782 /nfs/dbraw/zinc/69/87/82/570698782.db2.gz AQURVLMWPXYFCY-UHFFFAOYSA-N 0 0 391.452 4.036 40 0 GIABRN COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(Cl)cc1O ZINC000260759347 570703009 /nfs/dbraw/zinc/70/30/09/570703009.db2.gz GFEYHABLQHPKEU-FDOKIQAASA-N 0 0 375.881 4.039 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3Cc3cccnc3)N21 ZINC000260772059 570704709 /nfs/dbraw/zinc/70/47/09/570704709.db2.gz MGGQBKSGUYMUQF-UIFIKXQLSA-N 0 0 389.528 4.306 40 0 GIABRN COc1cc(Cl)c([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1OC ZINC000260774917 570704749 /nfs/dbraw/zinc/70/47/49/570704749.db2.gz OEGBNFGSZGMKFW-CNOZUTPLSA-N 0 0 389.908 4.342 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3Cc3ccncc3)N21 ZINC000260783841 570705189 /nfs/dbraw/zinc/70/51/89/570705189.db2.gz UIXMXUABUPZMET-UIFIKXQLSA-N 0 0 389.528 4.306 40 0 GIABRN CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(Cl)cc1O ZINC000260775157 570705208 /nfs/dbraw/zinc/70/52/08/570705208.db2.gz POXDYZYAWZCDCW-CNOZUTPLSA-N 0 0 389.908 4.429 40 0 GIABRN CC[C@H](C)Oc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C(=O)OC ZINC000260814592 570707913 /nfs/dbraw/zinc/70/79/13/570707913.db2.gz KZWIPDTVVDPCMH-GXZWQRSESA-N 0 0 377.481 4.184 40 0 GIABRN Brc1cccc(Nc2nc3nonc3nc2NCc2ccccc2)c1 ZINC000001270862 570714149 /nfs/dbraw/zinc/71/41/49/570714149.db2.gz GSYIHMIQRGIOEJ-UHFFFAOYSA-N 0 0 397.236 4.131 40 0 GIABRN Cc1cc(I)ccc1NC(=O)CSc1ccccc1 ZINC000003604057 570725430 /nfs/dbraw/zinc/72/54/30/570725430.db2.gz LVLPPGPHILWICM-UHFFFAOYSA-N 0 0 383.254 4.330 40 0 GIABRN Cc1ccc(C(=O)Nc2ccccc2Cl)cc1S(=O)(=O)N1CCCCC1 ZINC000003483340 570725477 /nfs/dbraw/zinc/72/54/77/570725477.db2.gz WGZHAWNJBUSXGK-UHFFFAOYSA-N 0 0 392.908 4.075 40 0 GIABRN Cc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc1 ZINC000005698409 570734393 /nfs/dbraw/zinc/73/43/93/570734393.db2.gz WSLQRJJUQBRGAQ-UVTDQMKNSA-N 0 0 388.208 4.145 40 0 GIABRN CCCOc1ccc(N2C[C@H](C(=O)Nc3nc4ccccc4s3)CC2=O)cc1 ZINC000005708187 570734490 /nfs/dbraw/zinc/73/44/90/570734490.db2.gz ONUNSFUJQDFBJJ-CQSZACIVSA-N 0 0 395.484 4.077 40 0 GIABRN CC(=O)c1cccc(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)c1 ZINC000005944223 570736625 /nfs/dbraw/zinc/73/66/25/570736625.db2.gz PMWAEAHMHLREDC-UHFFFAOYSA-N 0 0 399.244 4.058 40 0 GIABRN COc1ccccc1N1CCN(C(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 ZINC000005930615 570736815 /nfs/dbraw/zinc/73/68/15/570736815.db2.gz RZCHIOOIJPLQKX-VQHVLOKHSA-N 0 0 391.298 4.364 40 0 GIABRN COc1ccc(-c2nc(SCC(=O)Nc3cccc(Cl)c3C)n[nH]2)cc1 ZINC000006141923 570738059 /nfs/dbraw/zinc/73/80/59/570738059.db2.gz ZLBKIKQNEKMCHU-UHFFFAOYSA-N 0 0 388.880 4.173 40 0 GIABRN COc1cc(NC(=O)c2ccc(Br)cc2)ccc1NC(=O)C(C)C ZINC000006357770 570741263 /nfs/dbraw/zinc/74/12/63/570741263.db2.gz VDMHYDCZQBAYPA-UHFFFAOYSA-N 0 0 391.265 4.305 40 0 GIABRN COc1ccc(OC)c(NC(=O)c2cc3c(cc2O)c2ccccc2n3C)c1 ZINC000255187872 570744679 /nfs/dbraw/zinc/74/46/79/570744679.db2.gz HHGWLNCBQONHKQ-UHFFFAOYSA-N 0 0 376.412 4.307 40 0 GIABRN CSC1=NN2[C@@H](c3ccc(Cl)cc3Cl)Nc3ccccc3[C@H]2C(=O)N1 ZINC000588229303 570746278 /nfs/dbraw/zinc/74/62/78/570746278.db2.gz UEVMHTGGDAVZAO-GJZGRUSLSA-N 0 0 393.299 4.225 40 0 GIABRN CCCN(CCC)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000006629484 570747863 /nfs/dbraw/zinc/74/78/63/570747863.db2.gz RBWLELZFFNQIHC-UHFFFAOYSA-N 0 0 395.532 4.070 40 0 GIABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cccc(F)c2)cc1 ZINC000006630463 570748509 /nfs/dbraw/zinc/74/85/09/570748509.db2.gz FKGCINMNAGNDIL-UHFFFAOYSA-N 0 0 378.403 4.244 40 0 GIABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)/C=C/c2ccco2)cc1 ZINC000006630433 570748520 /nfs/dbraw/zinc/74/85/20/570748520.db2.gz WBMJRWSPPODXKF-MDZDMXLPSA-N 0 0 376.412 4.098 40 0 GIABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccccc2OC)cc1 ZINC000006630473 570748593 /nfs/dbraw/zinc/74/85/93/570748593.db2.gz BDLVUZFREBZKIO-UHFFFAOYSA-N 0 0 390.439 4.114 40 0 GIABRN CCCOc1ccc(N2C[C@@H](C(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1 ZINC000006880973 570752733 /nfs/dbraw/zinc/75/27/33/570752733.db2.gz KROCJMRQWYTNFS-SFHVURJKSA-N 0 0 380.488 4.392 40 0 GIABRN CCCOc1ccc(N2C[C@H](C(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1 ZINC000006880924 570752765 /nfs/dbraw/zinc/75/27/65/570752765.db2.gz KROCJMRQWYTNFS-GOSISDBHSA-N 0 0 380.488 4.392 40 0 GIABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1 ZINC000006965957 570754121 /nfs/dbraw/zinc/75/41/21/570754121.db2.gz HGJJQDSPRPCQOU-UHFFFAOYSA-N 0 0 392.528 4.063 40 0 GIABRN O=C(c1cccs1)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000007129617 570756777 /nfs/dbraw/zinc/75/67/77/570756777.db2.gz RWAYJKLSYSDFKC-UHFFFAOYSA-N 0 0 396.556 4.082 40 0 GIABRN CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1C ZINC000007235929 570757202 /nfs/dbraw/zinc/75/72/02/570757202.db2.gz LUAJKDKEJWFVFO-UHFFFAOYSA-N 0 0 384.480 4.475 40 0 GIABRN CC(C)CC(=O)Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000007496783 570759503 /nfs/dbraw/zinc/75/95/03/570759503.db2.gz PBXSZEPENZWQEQ-MDWZMJQESA-N 0 0 391.515 4.033 40 0 GIABRN Cc1ccccc1CN1CCO[C@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 ZINC000257199599 570759767 /nfs/dbraw/zinc/75/97/67/570759767.db2.gz AABJAEJOKCUZDU-NRFANRHFSA-N 0 0 378.451 4.241 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2N(C(=O)c3coc(C)n3)[C@H](c3ccccc3)C[C@@]21C ZINC000257202989 570760247 /nfs/dbraw/zinc/76/02/47/570760247.db2.gz AOEBOTPOLSNUGY-FUDKSRODSA-N 0 0 395.503 4.120 40 0 GIABRN CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)C(C)C)CC1 ZINC000257201108 570760296 /nfs/dbraw/zinc/76/02/96/570760296.db2.gz AGIIEZYBQNGROI-UHFFFAOYSA-N 0 0 392.543 4.297 40 0 GIABRN COC(C)(C)C(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257200537 570760316 /nfs/dbraw/zinc/76/03/16/570760316.db2.gz ADSSPKGRSLMIHZ-HNNXBMFYSA-N 0 0 376.884 4.050 40 0 GIABRN CCCc1n[nH]c(=S)n1NCc1cccc(OC)c1OCc1ccccc1 ZINC000007601289 570760848 /nfs/dbraw/zinc/76/08/48/570760848.db2.gz BODDGXGZQVYCOI-UHFFFAOYSA-N 0 0 384.505 4.224 40 0 GIABRN CCCc1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)n(C)n1 ZINC000257208168 570760962 /nfs/dbraw/zinc/76/09/62/570760962.db2.gz BLAHEASFZBXCKU-HXUWFJFHSA-N 0 0 392.503 4.319 40 0 GIABRN Cc1cc(Nc2cccc(C3CCN(C(=O)CCc4ccccc4)CC3)n2)n[nH]1 ZINC000257207890 570761224 /nfs/dbraw/zinc/76/12/24/570761224.db2.gz BJUJNKIASQSCNF-UHFFFAOYSA-N 0 0 389.503 4.196 40 0 GIABRN C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3Cc1ccccc1C(=O)[O-] ZINC000257207524 570761232 /nfs/dbraw/zinc/76/12/32/570761232.db2.gz BIDIFTAYEYNGJA-ACUMWEPGSA-N 0 0 390.527 4.101 40 0 GIABRN COc1ccccc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257219513 570762692 /nfs/dbraw/zinc/76/26/92/570762692.db2.gz DHBDBWNMFUUBTH-LJQANCHMSA-N 0 0 380.419 4.390 40 0 GIABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000007928290 570763311 /nfs/dbraw/zinc/76/33/11/570763311.db2.gz GBSYLYUQSARWTM-NSHDSACASA-N 0 0 382.769 4.350 40 0 GIABRN Cc1ncoc1C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4)OCC[C@@]31C2 ZINC000257228834 570764441 /nfs/dbraw/zinc/76/44/41/570764441.db2.gz FVLMFPMYBXTCCQ-ZIVVNCDHSA-N 0 0 380.488 4.295 40 0 GIABRN COc1cccc(Cc2cnc([C@H]3CCCN3C(=O)c3cccc(F)c3)o2)c1 ZINC000257229400 570764471 /nfs/dbraw/zinc/76/44/71/570764471.db2.gz FXYNKJCSRBZNST-HXUWFJFHSA-N 0 0 380.419 4.390 40 0 GIABRN O=C(Nc1ccc(F)c(F)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000008033291 570765517 /nfs/dbraw/zinc/76/55/17/570765517.db2.gz VTGKHOWCAMASDO-UHFFFAOYSA-N 0 0 388.395 4.018 40 0 GIABRN Cc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1C ZINC000008207424 570765546 /nfs/dbraw/zinc/76/55/46/570765546.db2.gz XTMQNFBRZZPMGW-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN COc1cccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4ccccn4)C3)c2)c1 ZINC000257236832 570767024 /nfs/dbraw/zinc/76/70/24/570767024.db2.gz HDZMDAXBGYQNKY-LJQANCHMSA-N 0 0 387.483 4.480 40 0 GIABRN CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000257237633 570767503 /nfs/dbraw/zinc/76/75/03/570767503.db2.gz HHJWDAZOCXPCAW-CYBMUJFWSA-N 0 0 399.541 4.079 40 0 GIABRN CN(C)c1nc([C@@H]2CCCCN2C(=O)c2nccc3ccccc32)cn2cccc12 ZINC000257245461 570769609 /nfs/dbraw/zinc/76/96/09/570769609.db2.gz IPPXKGLGFSJHLC-FQEVSTJZSA-N 0 0 399.498 4.316 40 0 GIABRN Cc1noc(C)c1-c1cnc(C2CCN(C(=O)/C=C/c3ccccc3)CC2)cn1 ZINC000257252026 570770584 /nfs/dbraw/zinc/77/05/84/570770584.db2.gz JTGUTPYBGMMIDT-CMDGGOBGSA-N 0 0 388.471 4.168 40 0 GIABRN CC(C)(C)C(=O)N1CCC[C@H]1c1cccc(N2CC3(CCCCC3)OC2=O)n1 ZINC000257257449 570770976 /nfs/dbraw/zinc/77/09/76/570770976.db2.gz KPOZRFQNHQZKNB-KRWDZBQOSA-N 0 0 385.508 4.451 40 0 GIABRN CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C(C)C)CC1 ZINC000257256484 570771068 /nfs/dbraw/zinc/77/10/68/570771068.db2.gz KLRMNFWJQUUJLP-UHFFFAOYSA-N 0 0 392.543 4.297 40 0 GIABRN CCCCCNS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000008810292 570772560 /nfs/dbraw/zinc/77/25/60/570772560.db2.gz FRPFIRARVVVYFH-UHFFFAOYSA-N 0 0 398.887 4.200 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4)o3)C2)s1 ZINC000257269903 570773161 /nfs/dbraw/zinc/77/31/61/570773161.db2.gz MRXJNAVCEFHUEA-KRWDZBQOSA-N 0 0 381.501 4.359 40 0 GIABRN O=C(c1ccc(F)cc1)N1CCO[C@@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000257271628 570773455 /nfs/dbraw/zinc/77/34/55/570773455.db2.gz MZCIJFOAZJIDTR-JOCHJYFZSA-N 0 0 376.431 4.025 40 0 GIABRN CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCCN1Cc1cccs1 ZINC000257273278 570773837 /nfs/dbraw/zinc/77/38/37/570773837.db2.gz NFYDBZVRNGKMLL-FQEVSTJZSA-N 0 0 394.544 4.471 40 0 GIABRN COc1cccc(CC(=O)N2CCC[C@H](c3ncc(Cc4ccccc4)o3)C2)c1 ZINC000257288603 570776578 /nfs/dbraw/zinc/77/65/78/570776578.db2.gz PUWTWLXAKSEKNK-FQEVSTJZSA-N 0 0 390.483 4.223 40 0 GIABRN Cc1ccc(Cc2cc(C)nc([C@H]3CN(C(=O)C4CCCC4)CCO3)c2)cc1 ZINC000257289447 570776585 /nfs/dbraw/zinc/77/65/85/570776585.db2.gz PYQNMIVFFHZSOJ-HSZRJFAPSA-N 0 0 378.516 4.379 40 0 GIABRN COCCC(=O)N[C@]1(C)C[C@H](c2cccc(OC)c2F)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257294520 570777473 /nfs/dbraw/zinc/77/74/73/570777473.db2.gz QUNPWKSVPACYFP-XTSRKLGDSA-N 0 0 393.499 4.012 40 0 GIABRN COCCC(=O)N[C@@]1(C)C[C@H](c2cc(Cl)ccc2O)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257299525 570778012 /nfs/dbraw/zinc/77/80/12/570778012.db2.gz RQKQAOWTUFPVSJ-KVQDAUAASA-N 0 0 395.927 4.223 40 0 GIABRN Cc1c2ccc(C)cc2oc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257303583 570778615 /nfs/dbraw/zinc/77/86/15/570778615.db2.gz SHUZLYYPRHOGJD-REWPJTCUSA-N 0 0 379.456 4.094 40 0 GIABRN C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NCc2ccccc2Cl)c1 ZINC000257309267 570779333 /nfs/dbraw/zinc/77/93/33/570779333.db2.gz UAHHBSSBTHRDJH-UHFFFAOYSA-N 0 0 379.891 4.394 40 0 GIABRN Cc1ccc(OCC(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)cc1 ZINC000257311218 570779770 /nfs/dbraw/zinc/77/97/70/570779770.db2.gz UILHXIMAMHLJQK-OAQYLSRUSA-N 0 0 394.446 4.455 40 0 GIABRN O=C([O-])C[N@H+](Cc1ccc(F)c(Cl)c1)C1CCN(c2ccccc2F)CC1 ZINC000257312699 570779947 /nfs/dbraw/zinc/77/99/47/570779947.db2.gz UPFAMDMNCYUXFJ-UHFFFAOYSA-N 0 0 394.849 4.174 40 0 GIABRN CCOc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)ccc1OC ZINC000257312104 570780080 /nfs/dbraw/zinc/78/00/80/570780080.db2.gz UMOCKJJNUATKOI-ABZCRWFKSA-N 0 0 387.520 4.112 40 0 GIABRN COc1cc(C)ccc1CN1CCO[C@H](c2cncc(-c3cccc(F)c3)n2)C1 ZINC000257320508 570781313 /nfs/dbraw/zinc/78/13/13/570781313.db2.gz VXDFNCMSDSTXTB-QHCPKHFHSA-N 0 0 393.462 4.173 40 0 GIABRN COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)c3scnc3C)C2)o1 ZINC000257323470 570781372 /nfs/dbraw/zinc/78/13/72/570781372.db2.gz WKHRGBLMMGMPCD-INIZCTEOSA-N 0 0 397.500 4.059 40 0 GIABRN O=C([O-])C[N@H+](CCc1ccc(Cl)cc1)C1CCN(c2cccc(F)c2)CC1 ZINC000257321910 570781439 /nfs/dbraw/zinc/78/14/39/570781439.db2.gz WDUPIBCCOZINMH-UHFFFAOYSA-N 0 0 390.886 4.077 40 0 GIABRN C[C@H](CCc1ccccc1)Nc1cc(-c2cc(C(C)(C)C)nn2C)nc(N)n1 ZINC000257335614 570783474 /nfs/dbraw/zinc/78/34/74/570783474.db2.gz YLBNPZVZYYUYNW-OAHLLOKOSA-N 0 0 378.524 4.190 40 0 GIABRN Cc1noc(C)c1-c1ccc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)nc1 ZINC000257337691 570783938 /nfs/dbraw/zinc/78/39/38/570783938.db2.gz YTZJPJTTXQULSC-FQEVSTJZSA-N 0 0 379.435 4.399 40 0 GIABRN O=C(Nc1nccs1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 ZINC000257343960 570785104 /nfs/dbraw/zinc/78/51/04/570785104.db2.gz ZVCLHCRPCLXTDH-UHFFFAOYSA-N 0 0 379.485 4.183 40 0 GIABRN CC(=O)Nc1ccc(NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)cc1 ZINC000170569241 570787740 /nfs/dbraw/zinc/78/77/40/570787740.db2.gz LJUJNZUUBORAAA-UHFFFAOYSA-N 0 0 375.432 4.048 40 0 GIABRN Cc1ccc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c(C)c1 ZINC000010338762 570789289 /nfs/dbraw/zinc/78/92/89/570789289.db2.gz GDFJATNBOCGJEK-UHFFFAOYSA-N 0 0 388.533 4.006 40 0 GIABRN Cc1ccccc1CS(=O)(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000010543796 570792040 /nfs/dbraw/zinc/79/20/40/570792040.db2.gz CHBSNYBSVJTXLT-UHFFFAOYSA-N 0 0 399.487 4.333 40 0 GIABRN CCOc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1OCC ZINC000010544000 570792071 /nfs/dbraw/zinc/79/20/71/570792071.db2.gz QWKRYAMTDGLHKT-CQSZACIVSA-N 0 0 397.924 4.318 40 0 GIABRN COc1ccc([C@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccccc2F)cc1 ZINC000011116559 570794485 /nfs/dbraw/zinc/79/44/85/570794485.db2.gz RHLPGRBMYLZJCC-UXHICEINSA-N 0 0 397.475 4.342 40 0 GIABRN COc1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)c1 ZINC000012177843 570802854 /nfs/dbraw/zinc/80/28/54/570802854.db2.gz RDMOUTWAOWINGF-UHFFFAOYSA-N 0 0 375.837 4.129 40 0 GIABRN C[C@@H](OC(=O)/C=C/c1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000012982688 570817882 /nfs/dbraw/zinc/81/78/82/570817882.db2.gz SWPXVCDCIBEVTP-OFYKVWRASA-N 0 0 383.410 4.345 40 0 GIABRN COc1ccc(CN(C)C(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000014227707 570832851 /nfs/dbraw/zinc/83/28/51/570832851.db2.gz APHIGSXLKJYQGB-UHFFFAOYSA-N 0 0 398.684 4.149 40 0 GIABRN Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1C ZINC000013992448 570869030 /nfs/dbraw/zinc/86/90/30/570869030.db2.gz PGJJGMFTVJHQEL-UHFFFAOYSA-N 0 0 388.467 4.251 40 0 GIABRN CCCOc1ccc([C@@H]2C(C(=O)OCC)C(CCC)=Nc3nc(C)nn32)cc1 ZINC000014163412 570878667 /nfs/dbraw/zinc/87/86/67/570878667.db2.gz MBFPLGCSGIVJMY-LJQANCHMSA-N 0 0 384.480 4.008 40 0 GIABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000014291980 570881954 /nfs/dbraw/zinc/88/19/54/570881954.db2.gz QZVZULYWOJBQNZ-UHFFFAOYSA-N 0 0 384.215 4.050 40 0 GIABRN Cc1csc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccccn4)o3)CC2)c1 ZINC000257209505 570888539 /nfs/dbraw/zinc/88/85/39/570888539.db2.gz BQRLMIJEWXZIAA-SHTZXODSSA-N 0 0 382.489 4.205 40 0 GIABRN CC(C)CC(=O)N[C@H](c1nccs1)[C@H]1CC[C@H](CNC(=O)C(C)(C)C)CC1 ZINC000257212119 570888695 /nfs/dbraw/zinc/88/86/95/570888695.db2.gz CCAMIKQEOJMPQN-BQFCYCMXSA-N 0 0 393.597 4.315 40 0 GIABRN Cc1cc(-c2cnc(C3CC3)nc2[C@H]2CC[C@H](CNC(=O)C(C)C)CC2)on1 ZINC000257217911 570889147 /nfs/dbraw/zinc/88/91/47/570889147.db2.gz DBBYYVIUIBWGIR-WKILWMFISA-N 0 0 382.508 4.363 40 0 GIABRN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3C(=O)C[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257348718 570910383 /nfs/dbraw/zinc/91/03/83/570910383.db2.gz ICLVBZVECAGRBZ-ZCNZEQCVSA-N 0 0 390.520 4.072 40 0 GIABRN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3C(=O)C[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000257348715 570910453 /nfs/dbraw/zinc/91/04/53/570910453.db2.gz ICLVBZVECAGRBZ-FTMNETNQSA-N 0 0 390.520 4.072 40 0 GIABRN CC(=O)OCC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O ZINC000257349074 570911085 /nfs/dbraw/zinc/91/10/85/570911085.db2.gz LGXCVDCRXUSHST-SSPAMQFQSA-N 0 0 390.520 4.073 40 0 GIABRN Cc1cc(F)ccc1NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000042646227 570914681 /nfs/dbraw/zinc/91/46/81/570914681.db2.gz UBDZLQSPJDOHFL-UHFFFAOYSA-N 0 0 376.431 4.021 40 0 GIABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1 ZINC000017077249 570916526 /nfs/dbraw/zinc/91/65/26/570916526.db2.gz GOGHOLVMJFBTSC-UHFFFAOYSA-N 0 0 377.488 4.262 40 0 GIABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=O)COc2cccc(C)c2C)cc1 ZINC000017077248 570916532 /nfs/dbraw/zinc/91/65/32/570916532.db2.gz FWPKVBGIJAOMSP-UHFFFAOYSA-N 0 0 377.488 4.262 40 0 GIABRN CCN(Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)c1ccccn1 ZINC000019526642 570928264 /nfs/dbraw/zinc/92/82/64/570928264.db2.gz GTVQYKPXRIFCLS-OAQYLSRUSA-N 0 0 376.508 4.185 40 0 GIABRN CC(C)CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CCCC1)C2 ZINC000585107495 570935384 /nfs/dbraw/zinc/93/53/84/570935384.db2.gz XZUDWJXHJZPPNJ-DEOSSOPVSA-N 0 0 392.547 4.356 40 0 GIABRN CC[C@H](C)C(=O)N1CC2(CCOCC2)c2cc(-c3ccnc(OC)c3)ccc21 ZINC000585105874 570935405 /nfs/dbraw/zinc/93/54/05/570935405.db2.gz WALAHAWVNIKWGJ-INIZCTEOSA-N 0 0 380.488 4.198 40 0 GIABRN Cc1ccc(CN2C[C@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@H]3C2)s1 ZINC000306125551 570936706 /nfs/dbraw/zinc/93/67/06/570936706.db2.gz CTTNPNRUQVOXTO-ICSRJNTNSA-N 0 0 385.510 4.072 40 0 GIABRN CC(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1cccs1)C2 ZINC000585106544 570936770 /nfs/dbraw/zinc/93/67/70/570936770.db2.gz AJVLBPRJPSRYQF-QFIPXVFZSA-N 0 0 392.528 4.151 40 0 GIABRN O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccc2ccccc2c1 ZINC000585111394 570941595 /nfs/dbraw/zinc/94/15/95/570941595.db2.gz RWTJPGQIKCFLPH-QHCPKHFHSA-N 0 0 397.478 4.128 40 0 GIABRN COC(=O)/C=C/c1ccc(OCc2ccc(I)cc2)cc1 ZINC000020133955 570941985 /nfs/dbraw/zinc/94/19/85/570941985.db2.gz MDMWASZUXCHZMI-IZZDOVSWSA-N 0 0 394.208 4.056 40 0 GIABRN O=C(c1ccco1)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC3CC3)c12 ZINC000306136298 570942549 /nfs/dbraw/zinc/94/25/49/570942549.db2.gz PPDNJAJVTUXVGI-UHFFFAOYSA-N 0 0 389.455 4.077 40 0 GIABRN CN1CCN(Cc2ccsc2)C[C@@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306136742 570942557 /nfs/dbraw/zinc/94/25/57/570942557.db2.gz QBQTZZGSDQYXLZ-LJQANCHMSA-N 0 0 395.557 4.008 40 0 GIABRN Cc1ccc(-c2ccc3c([C@H]4CN(Cc5ccsc5)CCO4)nnn3c2)cc1 ZINC000306138385 570943754 /nfs/dbraw/zinc/94/37/54/570943754.db2.gz RWEYPYXRNMHEIT-OAQYLSRUSA-N 0 0 390.512 4.340 40 0 GIABRN Cc1ncsc1CN1CCC[C@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306144518 570947082 /nfs/dbraw/zinc/94/70/82/570947082.db2.gz ZHOKLVPVILVAAV-SFHVURJKSA-N 0 0 375.501 4.498 40 0 GIABRN Cc1ccc2cc3c(N)c(C(=O)Nc4ccc5c(c4)OCCO5)sc3nc2c1 ZINC000001342840 570959375 /nfs/dbraw/zinc/95/93/75/570959375.db2.gz IDPIMRRZXKSAAG-UHFFFAOYSA-N 0 0 391.452 4.364 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000197852726 570960672 /nfs/dbraw/zinc/96/06/72/570960672.db2.gz WFGDQUWSWREEBL-QGZVFWFLSA-N 0 0 383.473 4.318 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nnc(-c3ccsc3)o2)cc1 ZINC000019211514 570960890 /nfs/dbraw/zinc/96/08/90/570960890.db2.gz IJHVFSPKGQQESS-INIZCTEOSA-N 0 0 389.502 4.022 40 0 GIABRN CC(=O)N[C@H](CC(=O)N1CCC[C@@H]1c1ccc(C)c(C)c1)c1ccc(F)cc1 ZINC000019213695 570961351 /nfs/dbraw/zinc/96/13/51/570961351.db2.gz YPBIFXMXVJCQFW-FGZHOGPDSA-N 0 0 382.479 4.374 40 0 GIABRN Cc1cccc(-c2cc(CNCc3ccc(F)cc3Cl)c3nnnn3c2)c1 ZINC000019235304 570965558 /nfs/dbraw/zinc/96/55/58/570965558.db2.gz RMHYWGWFJJFIDM-UHFFFAOYSA-N 0 0 381.842 4.182 40 0 GIABRN Cc1nc2c(c(N3CCC(c4ccncc4)CC3)n1)CN(Cc1ccccc1)CC2 ZINC000019286194 570969527 /nfs/dbraw/zinc/96/95/27/570969527.db2.gz FMYSKCAPELUBNQ-UHFFFAOYSA-N 0 0 399.542 4.122 40 0 GIABRN COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3cnn(C)c3)no2)cc1OC ZINC000019290700 570971994 /nfs/dbraw/zinc/97/19/94/570971994.db2.gz HIGQEQFGXRCZKO-IBGZPJMESA-N 0 0 396.491 4.210 40 0 GIABRN Fc1ccccc1CNCc1c(Cl)nc2ccccc2c1N1CCOCC1 ZINC000019349546 570978451 /nfs/dbraw/zinc/97/84/51/570978451.db2.gz VHAUMLKKQAHFOS-UHFFFAOYSA-N 0 0 385.870 4.154 40 0 GIABRN O=C(N[C@@H](c1ccncc1)c1ccc(Cl)cc1)[C@@H]1OCOc2ccccc21 ZINC000019375072 570981857 /nfs/dbraw/zinc/98/18/57/570981857.db2.gz ZGLSAJXKYHFSKI-WOJBJXKFSA-N 0 0 380.831 4.048 40 0 GIABRN CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CC2)C1 ZINC000019449023 570985039 /nfs/dbraw/zinc/98/50/39/570985039.db2.gz LWMXGTXSJNAMEX-RUZDIDTESA-N 0 0 390.527 4.049 40 0 GIABRN CC(C)c1nc(N2CCC(NC(=O)CC(C)(C)C)CC2)ncc1-c1ccncc1 ZINC000019451597 570985755 /nfs/dbraw/zinc/98/57/55/570985755.db2.gz RUKAQANRFNAEPK-UHFFFAOYSA-N 0 0 395.551 4.183 40 0 GIABRN C[C@H](Cn1cnc2ccccc21)C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000019457705 570987645 /nfs/dbraw/zinc/98/76/45/570987645.db2.gz NGXDXKYEFKNTOA-MSOLQXFVSA-N 0 0 395.478 4.129 40 0 GIABRN Cc1ccc(OCCCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(C)c1 ZINC000001913992 570987910 /nfs/dbraw/zinc/98/79/10/570987910.db2.gz YQSUXOWOAQSRGR-UHFFFAOYSA-N 0 0 386.517 4.140 40 0 GIABRN C[C@@H]1C[C@H]1C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)CC1 ZINC000019462790 570988853 /nfs/dbraw/zinc/98/88/53/570988853.db2.gz DICOWUPBXIEKSO-DMRZNYOFSA-N 0 0 394.510 4.066 40 0 GIABRN CCC(=O)N1CC[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)NC(C)C)C1 ZINC000019498416 570990716 /nfs/dbraw/zinc/99/07/16/570990716.db2.gz JXVASKWABJASNP-QFIPXVFZSA-N 0 0 384.545 4.111 40 0 GIABRN COc1ccc([C@@H]2CCCN2C(=O)CCc2ccc3c(c2)C[C@@H](C)O3)cc1OC ZINC000019498119 570990966 /nfs/dbraw/zinc/99/09/66/570990966.db2.gz LTIKYALRQOYAEH-UZLBHIALSA-N 0 0 395.499 4.324 40 0 GIABRN CCC(CC)C(=O)N1CC[C@](Cc2ccccc2-c2cccs2)(C(=O)NC)C1 ZINC000019500064 570991980 /nfs/dbraw/zinc/99/19/80/570991980.db2.gz FZABDOBNGYBUKY-HSZRJFAPSA-N 0 0 398.572 4.359 40 0 GIABRN Cn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1 ZINC000118916027 570993795 /nfs/dbraw/zinc/99/37/95/570993795.db2.gz RIGYQZYGTOVKFZ-OUSBJKGISA-N 0 0 384.564 4.178 40 0 GIABRN CCc1sc(NC(=O)c2ccn(C(F)F)n2)nc1-c1ccc(OC)cc1 ZINC000019521619 570995018 /nfs/dbraw/zinc/99/50/18/570995018.db2.gz BHBIFIPKNZQGCG-UHFFFAOYSA-N 0 0 378.404 4.225 40 0 GIABRN CCn1nc2c(c1C(=O)N[C@@H](c1ccncc1)c1ccc(C)c(C)c1)CCCC2 ZINC000019524105 570996503 /nfs/dbraw/zinc/99/65/03/570996503.db2.gz ZWWPFGJLCIXUSR-QFIPXVFZSA-N 0 0 388.515 4.313 40 0 GIABRN CCCn1c(CN2CCC(n3c4ccccc4oc3=O)CC2)nc2ccccc21 ZINC000019526014 570997316 /nfs/dbraw/zinc/99/73/16/570997316.db2.gz NPMKMTSGGIJTRQ-UHFFFAOYSA-N 0 0 390.487 4.191 40 0 GIABRN CCN1CCN(C(=O)C2CCC2)C[C@@H](Cc2ccccc2-c2cccs2)C1=O ZINC000019527724 570998218 /nfs/dbraw/zinc/99/82/18/570998218.db2.gz CTZXVCGLUYVOQF-LJQANCHMSA-N 0 0 396.556 4.065 40 0 GIABRN CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)C(C)C)C1 ZINC000019528353 570998387 /nfs/dbraw/zinc/99/83/87/570998387.db2.gz NOHWZYWGYNUFCE-QHCPKHFHSA-N 0 0 398.572 4.359 40 0 GIABRN CCOc1cc2c(cc1CN[C@H](Cc1ccsc1)c1nccs1)OCO2 ZINC000019532543 570999331 /nfs/dbraw/zinc/99/93/31/570999331.db2.gz NNZGVOSMDNQDQA-OAHLLOKOSA-N 0 0 388.514 4.406 40 0 GIABRN Cc1c(Br)cc(Br)c(I)c1C ZINC000065356442 571000276 /nfs/dbraw/zinc/00/02/76/571000276.db2.gz PUUSOJQHQCFNDB-UHFFFAOYSA-N 0 0 389.856 4.433 40 0 GIABRN Fc1cc(Br)c(I)c(Br)c1F ZINC000065356400 571000288 /nfs/dbraw/zinc/00/02/88/571000288.db2.gz XWMAAPTWMPDZJY-UHFFFAOYSA-N 0 0 397.782 4.094 40 0 GIABRN COc1ccccc1-c1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1Cc1cccnc1 ZINC000019571571 571010258 /nfs/dbraw/zinc/01/02/58/571010258.db2.gz RYNGMXFDWNQYJK-UTKZUKDTSA-N 0 0 397.482 4.062 40 0 GIABRN Cc1nn([C@H](C)CC(=O)N[C@@H](c2cccs2)c2ccncc2)c(C)c1Cl ZINC000019577558 571012344 /nfs/dbraw/zinc/01/23/44/571012344.db2.gz HUJRZQUXFLGYSG-CWTRNNRKSA-N 0 0 388.924 4.467 40 0 GIABRN CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)C2CCC2)C1 ZINC000019579737 571012630 /nfs/dbraw/zinc/01/26/30/571012630.db2.gz JANDUMFUSAGJCT-QHCPKHFHSA-N 0 0 396.556 4.065 40 0 GIABRN COc1ccc2cnc([C@H]3CCCN(C(=O)c4cc(C5CC5)n[nH]4)C3)cc2c1C ZINC000019582657 571014250 /nfs/dbraw/zinc/01/42/50/571014250.db2.gz LHGVIAWGQXNAJI-KRWDZBQOSA-N 0 0 390.487 4.172 40 0 GIABRN Cc1nn([C@@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)c(=O)c2ccccc12 ZINC000019656635 571023835 /nfs/dbraw/zinc/02/38/35/571023835.db2.gz QDPXLXTZZNKZKD-INIZCTEOSA-N 0 0 391.471 4.226 40 0 GIABRN COc1ccc(-c2cc(C(=O)N3CCC(Oc4cccc(C)c4)CC3)on2)cc1 ZINC000019660518 571025348 /nfs/dbraw/zinc/02/53/48/571025348.db2.gz VYQLCSVSEKGPKG-UHFFFAOYSA-N 0 0 392.455 4.342 40 0 GIABRN Cc1cc(C)n(-c2ccc(C(=O)N(C)Cc3ccc4c(c3)C[C@H](C)O4)cc2)n1 ZINC000019659646 571025421 /nfs/dbraw/zinc/02/54/21/571025421.db2.gz XXUGMKSSKRLLHA-KRWDZBQOSA-N 0 0 375.472 4.085 40 0 GIABRN CC[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n(C)n1)c1c(C)nn(CC)c1C ZINC000019660508 571025428 /nfs/dbraw/zinc/02/54/28/571025428.db2.gz WMHIYRGATLCTEH-KRWDZBQOSA-N 0 0 399.926 4.455 40 0 GIABRN Cc1nn(-c2ccc(F)cc2)c(C)c1CN(Cc1ccccn1)C[C@H]1CCCO1 ZINC000019664442 571026986 /nfs/dbraw/zinc/02/69/86/571026986.db2.gz CFMVUUWVQFRTKZ-JOCHJYFZSA-N 0 0 394.494 4.204 40 0 GIABRN Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc4nc(C)c(C)nc4c3)c12 ZINC000019663573 571027065 /nfs/dbraw/zinc/02/70/65/571027065.db2.gz YMXXEVXUSVHJFO-UHFFFAOYSA-N 0 0 375.432 4.467 40 0 GIABRN Cc1cccn2cc(C(=O)N3CCC(COc4ccc(Cl)cc4)CC3)nc12 ZINC000019665455 571027446 /nfs/dbraw/zinc/02/74/46/571027446.db2.gz NWHPZCZVZQMMKS-UHFFFAOYSA-N 0 0 383.879 4.227 40 0 GIABRN COc1cccc(-c2cc(C(=O)Nc3nc(-c4ccccn4)cs3)on2)c1 ZINC000019666851 571027722 /nfs/dbraw/zinc/02/77/22/571027722.db2.gz FZIPEYGQQPLAAX-UHFFFAOYSA-N 0 0 378.413 4.121 40 0 GIABRN O=C(C[C@H]1CCCCO1)N1CCC(c2ccc(Cc3ccccc3F)cn2)CC1 ZINC000019690521 571029133 /nfs/dbraw/zinc/02/91/33/571029133.db2.gz PTVGEZGDSSLHAK-OAQYLSRUSA-N 0 0 396.506 4.477 40 0 GIABRN Cc1nn(C)cc1C(=O)N1CCC(c2cc(Cc3ccccc3)cc(C)n2)CC1 ZINC000019691578 571029718 /nfs/dbraw/zinc/02/97/18/571029718.db2.gz YYSJDTONTPDDEA-UHFFFAOYSA-N 0 0 388.515 4.043 40 0 GIABRN O=C(c1ccccc1)N1CCC[C@H]1c1cc(CCOc2cccc(F)c2)n[nH]1 ZINC000019703661 571031504 /nfs/dbraw/zinc/03/15/04/571031504.db2.gz HHPOSLVSTNLABE-NRFANRHFSA-N 0 0 379.435 4.148 40 0 GIABRN Cc1ccc(-c2cc(C(=O)NCC3(c4cccc(F)c4)CCOCC3)[nH]n2)cc1 ZINC000019718248 571041182 /nfs/dbraw/zinc/04/11/82/571041182.db2.gz LFHIXPKAZNTMJU-UHFFFAOYSA-N 0 0 393.462 4.002 40 0 GIABRN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4nc5ccccc5n4C)C3)[nH]n2)cc1 ZINC000019718249 571041240 /nfs/dbraw/zinc/04/12/40/571041240.db2.gz RGBDPYFBXODJRC-GOSISDBHSA-N 0 0 399.498 4.292 40 0 GIABRN Cc1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)cc1F ZINC000328964185 571047612 /nfs/dbraw/zinc/04/76/12/571047612.db2.gz BTUMRRDYSRJQSG-UHFFFAOYSA-N 0 0 377.467 4.318 40 0 GIABRN CC(=O)OCC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O ZINC000005226886 817563637 /nfs/dbraw/zinc/56/36/37/817563637.db2.gz LGXCVDCRXUSHST-VWNSJIEDSA-N 0 0 390.520 4.073 40 0 GIABRN O=C(Cc1ccccc1)NC(=S)Nc1cccc(Cl)c1N1CCCCC1 ZINC000006045517 817643624 /nfs/dbraw/zinc/64/36/24/817643624.db2.gz GWJZILJLOOYZTA-UHFFFAOYSA-N 0 0 387.936 4.386 40 0 GIABRN CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C1=O ZINC000006629520 817712747 /nfs/dbraw/zinc/71/27/47/817712747.db2.gz DYQZTFZYHCPHKO-LDADJPATSA-N 0 0 398.484 4.327 40 0 GIABRN CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)cc1 ZINC000006650965 817715719 /nfs/dbraw/zinc/71/57/19/817715719.db2.gz QCIOSXFVLUNPBV-MTOJCTJASA-N 0 0 391.489 4.244 40 0 GIABRN CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O ZINC000006650173 817715800 /nfs/dbraw/zinc/71/58/00/817715800.db2.gz UTSIOLUSPHMKBS-ATVHPVEESA-N 0 0 385.441 4.326 40 0 GIABRN CCCC(=O)c1cn(CC(=O)Nc2ccc(C(=O)OCC)cc2)c2ccccc12 ZINC000006709667 817716857 /nfs/dbraw/zinc/71/68/57/817716857.db2.gz UXCDFQDJHSDEQF-UHFFFAOYSA-N 0 0 392.455 4.440 40 0 GIABRN CC(C)CC(=O)NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000006708206 817716965 /nfs/dbraw/zinc/71/69/65/817716965.db2.gz RPFZVBDJCWFMEZ-UHFFFAOYSA-N 0 0 389.908 4.451 40 0 GIABRN CCOc1c(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cccc1OC ZINC000006958224 817729125 /nfs/dbraw/zinc/72/91/25/817729125.db2.gz BOMJAKNRJFWFTA-WOJGMQOQSA-N 0 0 394.452 4.202 40 0 GIABRN O=C1NC(=Cc2ccc(N3CCCCC3)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000006970402 817731965 /nfs/dbraw/zinc/73/19/65/817731965.db2.gz MFUFNKMSXPUVTP-XMHGGMMESA-N 0 0 381.863 4.428 40 0 GIABRN O=C1NC(=Cc2ccc(N3CCCC3)cc2F)C(=O)N1c1ccc(Cl)cc1 ZINC000006970579 817732033 /nfs/dbraw/zinc/73/20/33/817732033.db2.gz BWUCNBBMCLHONK-WOJGMQOQSA-N 0 0 385.826 4.177 40 0 GIABRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O ZINC000007070917 817752031 /nfs/dbraw/zinc/75/20/31/817752031.db2.gz ZRVBMLSPVFNGKF-GPLLRDDGSA-N 0 0 385.441 4.325 40 0 GIABRN COc1ccc(N(CC(=O)c2ccc(OC)c(OC)c2)C2=NCCCCC2)cc1 ZINC000007275492 817809349 /nfs/dbraw/zinc/80/93/49/817809349.db2.gz FTWJEXGJGSBZGP-UHFFFAOYSA-N 0 0 396.487 4.374 40 0 GIABRN O=C(COC(=O)CCC(=O)c1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000007396185 817830214 /nfs/dbraw/zinc/83/02/14/817830214.db2.gz NENAOPCJOYZWBM-UHFFFAOYSA-N 0 0 380.227 4.138 40 0 GIABRN Cc1cc(O[C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)cc(C)c1Cl ZINC000007504604 817856841 /nfs/dbraw/zinc/85/68/41/817856841.db2.gz CTTRMSRMQKDUHW-INIZCTEOSA-N 0 0 390.886 4.212 40 0 GIABRN Cc1cc(C)cc(N2C[C@H](C(=O)Oc3ccc(Br)cc3)CC2=O)c1 ZINC000007929131 817962273 /nfs/dbraw/zinc/96/22/73/817962273.db2.gz YADPIFYCJFONFJ-CQSZACIVSA-N 0 0 388.261 4.024 40 0 GIABRN COc1cc(CNc2ccc(F)cc2)cc(I)c1OC ZINC000008110061 818001879 /nfs/dbraw/zinc/00/18/79/818001879.db2.gz OPENPVRFZVNPBR-UHFFFAOYSA-N 0 0 387.192 4.060 40 0 GIABRN COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(OC)c1C ZINC000008276348 818028145 /nfs/dbraw/zinc/02/81/45/818028145.db2.gz PHYICGRHFJJNNQ-VCHYOVAHSA-N 0 0 394.452 4.120 40 0 GIABRN O=C(CSc1nc(=O)c2ccsc2[nH]1)Nc1ccc(Cl)c(Cl)c1 ZINC000016543401 818453304 /nfs/dbraw/zinc/45/33/04/818453304.db2.gz MPYNRJAZRXCDAL-UHFFFAOYSA-N 0 0 386.285 4.022 40 0 GIABRN Cc1cc(N2CCO[C@@H](c3ccc(Cc4ccccc4Cl)cn3)C2)nc(C)n1 ZINC000019692922 818599491 /nfs/dbraw/zinc/59/94/91/818599491.db2.gz KDYRSQRCCBSGLQ-OAQYLSRUSA-N 0 0 394.906 4.311 40 0 GIABRN Cc1ccc(Cc2ccc([C@@H]3CN(C(=O)C4CCCCC4)CCO3)nc2)cc1 ZINC000019692868 818599547 /nfs/dbraw/zinc/59/95/47/818599547.db2.gz AHQFBFNOSBFKFA-QHCPKHFHSA-N 0 0 378.516 4.461 40 0 GIABRN NC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)c2ccccc2)CC1 ZINC000019700422 818600818 /nfs/dbraw/zinc/60/08/18/818600818.db2.gz IDKCPTVLHQUZCQ-UHFFFAOYSA-N 0 0 398.506 4.304 40 0 GIABRN CC(C)(Br)C(=O)Nc1nc2c(cc(F)cc2Br)s1 ZINC000020133190 818615298 /nfs/dbraw/zinc/61/52/98/818615298.db2.gz IOWRJMRPHDAZBX-UHFFFAOYSA-N 0 0 396.079 4.310 40 0 GIABRN COc1ccc(C(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000025132109 819933897 /nfs/dbraw/zinc/93/38/97/819933897.db2.gz XQJHSYLBMMRJSP-UHFFFAOYSA-N 0 0 381.350 4.324 40 0 GIABRN Nc1c(C(=O)Nc2ccc(F)cc2)c2ccccc2n1C(=O)c1ccc(F)cc1 ZINC000028535281 820343896 /nfs/dbraw/zinc/34/38/96/820343896.db2.gz JEYGBQJKZPGVCV-UHFFFAOYSA-N 0 0 391.377 4.443 40 0 GIABRN C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Br)c2ccccc21 ZINC000031903865 820872715 /nfs/dbraw/zinc/87/27/15/820872715.db2.gz ZOWSVXDFVPHNMU-WBMJQRKESA-N 0 0 382.323 4.459 40 0 GIABRN O=Cc1cc([N+](=O)[O-])ccc1Sc1nc2c(c(C(F)(F)F)n1)CCCC2 ZINC000033768652 821060146 /nfs/dbraw/zinc/06/01/46/821060146.db2.gz PGSUSZHOLJCJJF-UHFFFAOYSA-N 0 0 383.351 4.246 40 0 GIABRN CCCc1ccc2c(N)c(C(=O)Nc3nnc(SCC)s3)sc2n1 ZINC000167580036 823893706 /nfs/dbraw/zinc/89/37/06/823893706.db2.gz FPGFGGQBTPNREG-UHFFFAOYSA-N 0 0 379.536 4.047 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccc(OC)c(OC)c1 ZINC000219282068 222593493 /nfs/dbraw/zinc/59/34/93/222593493.db2.gz DCJUMAFWDFNEPE-SFHVURJKSA-N 0 0 399.487 4.064 40 0 GIABRN CC[C@H](Oc1cccc(C)c1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000219319169 222595022 /nfs/dbraw/zinc/59/50/22/222595022.db2.gz YFIUTBIBVXUXQW-KRWDZBQOSA-N 0 0 385.851 4.172 40 0 GIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219360037 222595078 /nfs/dbraw/zinc/59/50/78/222595078.db2.gz YBKNTIADHQUHBX-WOJBJXKFSA-N 0 0 399.487 4.280 40 0 GIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219359789 222595323 /nfs/dbraw/zinc/59/53/23/222595323.db2.gz AIBMBKLWVWPNIG-UXHICEINSA-N 0 0 399.487 4.280 40 0 GIABRN COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1)CC(C)(C)O2 ZINC000219518918 222595658 /nfs/dbraw/zinc/59/56/58/222595658.db2.gz CCXDGKIEWWLQGF-OXQOHEQNSA-N 0 0 383.488 4.498 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1ccc(C)c(C)c1 ZINC000219523791 222596547 /nfs/dbraw/zinc/59/65/47/222596547.db2.gz IXKCUTIMUFOLAG-OAHLLOKOSA-N 0 0 385.489 4.231 40 0 GIABRN CC[C@@H](C(=O)Nc1cccc2ccccc21)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220495506 222601783 /nfs/dbraw/zinc/60/17/83/222601783.db2.gz IEPYVFLKUMMUNR-NRFANRHFSA-N 0 0 396.512 4.332 40 0 GIABRN CC[C@H](C(=O)Nc1ccccc1C(C)C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220508271 222602153 /nfs/dbraw/zinc/60/21/53/222602153.db2.gz ZBKZDJCOKWKKIE-HXUWFJFHSA-N 0 0 388.533 4.302 40 0 GIABRN CC[C@@H](C(=O)Nc1ccccc1Cl)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220558916 222602292 /nfs/dbraw/zinc/60/22/92/222602292.db2.gz FZLGLRUFLWDLKT-SFHVURJKSA-N 0 0 394.924 4.140 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl ZINC000222396971 222607793 /nfs/dbraw/zinc/60/77/93/222607793.db2.gz JWLJIOPKRYLDMT-CQSZACIVSA-N 0 0 393.314 4.008 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl ZINC000222397026 222608407 /nfs/dbraw/zinc/60/84/07/222608407.db2.gz JWLJIOPKRYLDMT-AWEZNQCLSA-N 0 0 393.314 4.008 40 0 GIABRN Cc1cc(C)c(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c(C)c1 ZINC000222555306 222609101 /nfs/dbraw/zinc/60/91/01/222609101.db2.gz LTJYOGQUGKYJNF-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccnc1 ZINC000222598335 222610082 /nfs/dbraw/zinc/61/00/82/222610082.db2.gz JOLBTLIYHUYHCJ-JHVJFLLYSA-N 0 0 389.528 4.473 40 0 GIABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(O)cc3Cl)N21 ZINC000222673795 222611745 /nfs/dbraw/zinc/61/17/45/222611745.db2.gz JWGPBXLWGXVPOW-HWOJHCLVSA-N 0 0 389.908 4.429 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1cccc2c1CCCC2 ZINC000222688609 222611843 /nfs/dbraw/zinc/61/18/43/222611843.db2.gz VLCFKIHWKKFEEV-UHFFFAOYSA-N 0 0 397.500 4.104 40 0 GIABRN Cc1ccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1C ZINC000008041666 230859181 /nfs/dbraw/zinc/85/91/81/230859181.db2.gz JIIHNUDARMIARI-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)nn12 ZINC000008071405 230860060 /nfs/dbraw/zinc/86/00/60/230860060.db2.gz QNZWDVKXSMGBPQ-UHFFFAOYSA-N 0 0 383.864 4.321 40 0 GIABRN COc1ccccc1[C@@H]1Cc2c(cnn2-c2nc3ccccc3s2)C(=O)C1 ZINC000014164299 230887820 /nfs/dbraw/zinc/88/78/20/230887820.db2.gz YJFWDRWMVYRBCV-CYBMUJFWSA-N 0 0 375.453 4.403 40 0 GIABRN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000014399619 230889168 /nfs/dbraw/zinc/88/91/68/230889168.db2.gz WRPBZPXNGKULBC-INIZCTEOSA-N 0 0 384.451 4.248 40 0 GIABRN Cc1cc(C)cc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222711963 222612681 /nfs/dbraw/zinc/61/26/81/222612681.db2.gz MNXFZUPWAGCNKG-FQEVSTJZSA-N 0 0 394.559 4.486 40 0 GIABRN CC[C@@H](C)Oc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1Cl ZINC000408903636 529383071 /nfs/dbraw/zinc/38/30/71/529383071.db2.gz VDJOIWLNVNDIJQ-OTWJJXBCSA-N 0 0 384.888 4.288 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000222719315 222613590 /nfs/dbraw/zinc/61/35/90/222613590.db2.gz DYUZAYLUXKPBRS-CXAGYDPISA-N 0 0 375.852 4.146 40 0 GIABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCCc1ccccc1 ZINC000222830353 222615606 /nfs/dbraw/zinc/61/56/06/222615606.db2.gz SFRKEVNBASHHNE-KRWDZBQOSA-N 0 0 386.923 4.216 40 0 GIABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccnc2)c1C ZINC000222864167 222617397 /nfs/dbraw/zinc/61/73/97/222617397.db2.gz DNDHOXDIPPNZAJ-RTWAWAEBSA-N 0 0 391.544 4.267 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C)cc1 ZINC000222918040 222617770 /nfs/dbraw/zinc/61/77/70/222617770.db2.gz HHLZOCIEZPRTMJ-KRWDZBQOSA-N 0 0 386.923 4.134 40 0 GIABRN CCc1ccc(O[C@H](CC)C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000222901597 222617930 /nfs/dbraw/zinc/61/79/30/222617930.db2.gz NJBQZYUKHAEINX-GOSISDBHSA-N 0 0 399.878 4.426 40 0 GIABRN Cc1cc(C)cc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222903870 222617995 /nfs/dbraw/zinc/61/79/95/222617995.db2.gz MMGJDJDWNNWBHP-SFHVURJKSA-N 0 0 398.522 4.317 40 0 GIABRN CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)cc1 ZINC000222886132 222618213 /nfs/dbraw/zinc/61/82/13/222618213.db2.gz PFFIGHQVHMUYMP-GOSISDBHSA-N 0 0 375.852 4.485 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)cc1C ZINC000408617452 231081704 /nfs/dbraw/zinc/08/17/04/231081704.db2.gz CXKURMHOVYHKOH-UHFFFAOYSA-N 0 0 386.517 4.039 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)c(C)c1 ZINC000408561947 231061821 /nfs/dbraw/zinc/06/18/21/231061821.db2.gz LXEUMBRAQGDFPB-UHFFFAOYSA-N 0 0 387.505 4.122 40 0 GIABRN COc1cccc2cc(C(=O)Nc3cccc(I)c3)oc21 ZINC000408566511 231063836 /nfs/dbraw/zinc/06/38/36/231063836.db2.gz AHCWDAQEOGTMCB-UHFFFAOYSA-N 0 0 393.180 4.298 40 0 GIABRN Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)c(C)c1 ZINC000408584117 231068012 /nfs/dbraw/zinc/06/80/12/231068012.db2.gz LSSYFGMVCNYWER-UHFFFAOYSA-N 0 0 389.521 4.190 40 0 GIABRN CCc1ccc([C@H](C)NS(=O)(=O)Cc2cccc(Br)c2)cc1 ZINC000222924326 222619298 /nfs/dbraw/zinc/61/92/98/222619298.db2.gz CVSNAGJAWJNGEV-ZDUSSCGKSA-N 0 0 382.323 4.192 40 0 GIABRN Cc1csc2[nH]c(SCC(=O)c3ccc(Br)cc3)nc(=O)c12 ZINC000408594111 231072110 /nfs/dbraw/zinc/07/21/10/231072110.db2.gz FQNPAUPMMBFGRF-UHFFFAOYSA-N 0 0 395.303 4.443 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1C(=O)N1CCCC1 ZINC000408593810 231072391 /nfs/dbraw/zinc/07/23/91/231072391.db2.gz NNRIORSARQVSSM-UHFFFAOYSA-N 0 0 394.496 4.185 40 0 GIABRN Cc1cc(S(=O)(=O)NCCC(C)C)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408609248 231078176 /nfs/dbraw/zinc/07/81/76/231078176.db2.gz QPRFXNNQMXDUFB-UHFFFAOYSA-N 0 0 394.924 4.225 40 0 GIABRN O=C(Nc1ccccc1)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 ZINC000408697198 231096126 /nfs/dbraw/zinc/09/61/26/231096126.db2.gz FXYNZLRQGRXYIX-UHFFFAOYSA-N 0 0 376.366 4.465 40 0 GIABRN Cc1ccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c(C)c1 ZINC000408705160 231099721 /nfs/dbraw/zinc/09/97/21/231099721.db2.gz ZEEILZABGHZAPM-UHFFFAOYSA-N 0 0 394.496 4.384 40 0 GIABRN O=C(NCc1cccc(Cl)c1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000408707165 231100903 /nfs/dbraw/zinc/10/09/03/231100903.db2.gz HLSOLXZHULDWIL-CYBMUJFWSA-N 0 0 396.796 4.028 40 0 GIABRN Cc1ccc(NC(=O)C(=O)NC2CCC(C(C)(C)C)CC2)c(Br)c1 ZINC000408709371 231102099 /nfs/dbraw/zinc/10/20/99/231102099.db2.gz RQQCWOUEMSEXQP-UHFFFAOYSA-N 0 0 395.341 4.417 40 0 GIABRN Cc1cc(Br)ccc1NC(=O)C(=O)NCc1ccc(C(C)C)cc1 ZINC000408708897 231102230 /nfs/dbraw/zinc/10/22/30/231102230.db2.gz MXGGYQUGMNLVFF-UHFFFAOYSA-N 0 0 389.293 4.136 40 0 GIABRN O=C(COc1ccccc1)Nc1ccc2sc(C(=O)N3CCCC3)cc2c1 ZINC000408713145 231103639 /nfs/dbraw/zinc/10/36/39/231103639.db2.gz LPVJGCBIWPWMSW-UHFFFAOYSA-N 0 0 380.469 4.155 40 0 GIABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)cc1Cl ZINC000408628760 231088584 /nfs/dbraw/zinc/08/85/84/231088584.db2.gz XESJDEQYKPJXKC-UHFFFAOYSA-N 0 0 389.908 4.370 40 0 GIABRN O=C(Cc1ccccc1)Oc1ccccc1/C=C1/N=C(c2ccccc2)OC1=O ZINC000408840986 231120566 /nfs/dbraw/zinc/12/05/66/231120566.db2.gz FAGGPRITJSCQAI-CAPFRKAQSA-N 0 0 383.403 4.179 40 0 GIABRN COc1ccc(CCCC(=O)N[C@H]2NC(c3ccccc3)=C(C)S2)cc1C ZINC000408915916 231131263 /nfs/dbraw/zinc/13/12/63/231131263.db2.gz RTZQRIDFONJEPS-QFIPXVFZSA-N 0 0 382.529 4.451 40 0 GIABRN COCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C1=O ZINC000409126874 231168492 /nfs/dbraw/zinc/16/84/92/231168492.db2.gz IAJFXJBSIHXHAA-CPNJWEJPSA-N 0 0 383.469 4.257 40 0 GIABRN Cc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2CC(C)C)c1 ZINC000409095036 231159240 /nfs/dbraw/zinc/15/92/40/231159240.db2.gz AZGKDMYDHHHZFP-UHFFFAOYSA-N 0 0 381.505 4.035 40 0 GIABRN Cc1cccc(OCc2nn(CC(=O)Nc3cccc(C)c3C)c(=S)o2)c1 ZINC000409168754 231174025 /nfs/dbraw/zinc/17/40/25/231174025.db2.gz NIZWVKIVKMBKPN-UHFFFAOYSA-N 0 0 383.473 4.349 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2cccc(C)c2)cc1 ZINC000409180316 231175095 /nfs/dbraw/zinc/17/50/95/231175095.db2.gz QRRKTRCWFQCHBO-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)N1CCCCCC1 ZINC000409185721 231176648 /nfs/dbraw/zinc/17/66/48/231176648.db2.gz PBBNWMLEFAARQY-QHCPKHFHSA-N 0 0 394.540 4.477 40 0 GIABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1nc(-c2cccc(C)c2)no1 ZINC000222973158 222620910 /nfs/dbraw/zinc/62/09/10/222620910.db2.gz XOUIJSUAFRUYPG-SFHVURJKSA-N 0 0 379.460 4.136 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 ZINC000223048167 222625093 /nfs/dbraw/zinc/62/50/93/222625093.db2.gz CXGZMPSSUXHOGP-FQEVSTJZSA-N 0 0 380.532 4.261 40 0 GIABRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3sccc3C)C2=O)cc1 ZINC000409181955 529674874 /nfs/dbraw/zinc/67/48/74/529674874.db2.gz HBIDZVIHXRQING-MHWRWJLKSA-N 0 0 386.498 4.294 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C ZINC000223134451 222626058 /nfs/dbraw/zinc/62/60/58/222626058.db2.gz JEZYVQPODWKDKX-NRFANRHFSA-N 0 0 394.559 4.488 40 0 GIABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)CCCC2 ZINC000223189515 222627844 /nfs/dbraw/zinc/62/78/44/222627844.db2.gz HBRMSOJSDJBREZ-UHFFFAOYSA-N 0 0 380.488 4.111 40 0 GIABRN CCc1ccc(NCc2cc(I)c(OC)c(OC)c2)cc1 ZINC000409119204 529688226 /nfs/dbraw/zinc/68/82/26/529688226.db2.gz RMQPJDAEFFIUKQ-UHFFFAOYSA-N 0 0 397.256 4.483 40 0 GIABRN O=C(CSCc1ccc(Br)cc1)NCCOc1ccc(F)cc1 ZINC000223454880 222632808 /nfs/dbraw/zinc/63/28/08/222632808.db2.gz PHJPEHLRWUIQLR-UHFFFAOYSA-N 0 0 398.297 4.017 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223640427 222638146 /nfs/dbraw/zinc/63/81/46/222638146.db2.gz CHUOJJFNNLMGQV-IBGZPJMESA-N 0 0 398.572 4.339 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 ZINC000223717683 222640642 /nfs/dbraw/zinc/64/06/42/222640642.db2.gz FHNFSGHNSBOACH-NRFANRHFSA-N 0 0 398.522 4.133 40 0 GIABRN CC[C@@H](NS(=O)(=O)c1cc2c(cc1OC)CCCC2)c1ccc(OC)cc1 ZINC000223700166 222640073 /nfs/dbraw/zinc/64/00/73/222640073.db2.gz NCQRLEOWSFBWNZ-LJQANCHMSA-N 0 0 389.517 4.012 40 0 GIABRN CC(C)(C)c1ccccc1OCCNS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000223701168 222640908 /nfs/dbraw/zinc/64/09/08/222640908.db2.gz XSGSYFMWHJISJH-UHFFFAOYSA-N 0 0 381.925 4.136 40 0 GIABRN COc1ccc(OCCCC(=O)NCCOc2ccccc2C(C)(C)C)cc1 ZINC000223699836 222641156 /nfs/dbraw/zinc/64/11/56/222641156.db2.gz TVYOHBYRVKFHOY-UHFFFAOYSA-N 0 0 385.504 4.347 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 ZINC000223710574 222641319 /nfs/dbraw/zinc/64/13/19/222641319.db2.gz LOXUZRUHWRFMNC-AWEZNQCLSA-N 0 0 393.314 4.089 40 0 GIABRN COc1ccc(CCCNC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1OC ZINC000223734605 222641773 /nfs/dbraw/zinc/64/17/73/222641773.db2.gz OSEPMCCXQGARQS-KRWDZBQOSA-N 0 0 397.515 4.099 40 0 GIABRN CCOc1cccc(CN(C)S(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1 ZINC000223741198 222642796 /nfs/dbraw/zinc/64/27/96/222642796.db2.gz QYJFKYNRKFMXGZ-UHFFFAOYSA-N 0 0 377.506 4.038 40 0 GIABRN Cc1ccc(C)c(OCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000224012693 222648348 /nfs/dbraw/zinc/64/83/48/222648348.db2.gz OZVJCNSRNQSYQF-UHFFFAOYSA-N 0 0 388.316 4.109 40 0 GIABRN Cc1cc(NC(=S)NCCCc2ccc(F)cc2)ncc1Br ZINC000223967229 222648529 /nfs/dbraw/zinc/64/85/29/222648529.db2.gz QBANRXBTJAVYTK-UHFFFAOYSA-N 0 0 382.302 4.211 40 0 GIABRN S=C(NCC1(c2cccc(Cl)c2)CCOCC1)Nc1cccnc1Cl ZINC000224021611 222649586 /nfs/dbraw/zinc/64/95/86/222649586.db2.gz HODJQLIXKGUKPR-UHFFFAOYSA-N 0 0 396.343 4.423 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2cc(C)ccc2C)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224200531 222652335 /nfs/dbraw/zinc/65/23/35/222652335.db2.gz HQVPJRJUQLRRTJ-OAQYLSRUSA-N 0 0 394.559 4.344 40 0 GIABRN CCC[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000224233687 222652375 /nfs/dbraw/zinc/65/23/75/222652375.db2.gz SZVKGDCLVLMDOW-AWEZNQCLSA-N 0 0 394.924 4.084 40 0 GIABRN Cc1cccc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccccc3)c2)c1 ZINC000224288111 222654057 /nfs/dbraw/zinc/65/40/57/222654057.db2.gz VTFGBXBTCWZAGY-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000224244276 222654109 /nfs/dbraw/zinc/65/41/09/222654109.db2.gz NTDFWCYAICSXHO-QGZVFWFLSA-N 0 0 386.923 4.072 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3cc(C)ccc3C)s2)cc1 ZINC000224613023 222658904 /nfs/dbraw/zinc/65/89/04/222658904.db2.gz GQJCOHAPZNGKFF-CQSZACIVSA-N 0 0 383.473 4.237 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000224658275 222659878 /nfs/dbraw/zinc/65/98/78/222659878.db2.gz KNMXNCQHXDELFG-IBGZPJMESA-N 0 0 396.531 4.132 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C ZINC000224665863 222660174 /nfs/dbraw/zinc/66/01/74/222660174.db2.gz UWOATQQIJUBFBE-HSZRJFAPSA-N 0 0 394.559 4.426 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c1 ZINC000224677193 222660236 /nfs/dbraw/zinc/66/02/36/222660236.db2.gz WXJNDVKBSGKKSQ-HXUWFJFHSA-N 0 0 392.543 4.404 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 ZINC000224741786 222662048 /nfs/dbraw/zinc/66/20/48/222662048.db2.gz WPOKAIJVTSQXGZ-GOSISDBHSA-N 0 0 384.545 4.031 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 ZINC000224767688 222662837 /nfs/dbraw/zinc/66/28/37/222662837.db2.gz WTLRMQRUDGMNCS-JOCHJYFZSA-N 0 0 398.522 4.256 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000224966865 222666829 /nfs/dbraw/zinc/66/68/29/222666829.db2.gz AKKMFKCUPXFBND-QHCPKHFHSA-N 0 0 394.559 4.160 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000224997400 222666834 /nfs/dbraw/zinc/66/68/34/222666834.db2.gz PCFUAFZWNLMIKH-WOJBJXKFSA-N 0 0 380.532 4.178 40 0 GIABRN CCOc1ccc(CCCNC(=O)c2cc(Cl)ccc2OC)cc1OC ZINC000225038565 222668175 /nfs/dbraw/zinc/66/81/75/222668175.db2.gz OTUYTXWXXAGIGJ-UHFFFAOYSA-N 0 0 377.868 4.119 40 0 GIABRN CCn1c(=O)sc2cc(NC(=O)CSc3ccc(Cl)cc3)ccc21 ZINC000225075598 222669324 /nfs/dbraw/zinc/66/93/24/222669324.db2.gz MEJGDQKZUHRURN-UHFFFAOYSA-N 0 0 378.906 4.467 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000225172247 222670674 /nfs/dbraw/zinc/67/06/74/222670674.db2.gz UDBJOLZHKIMAOQ-IRXDYDNUSA-N 0 0 386.923 4.215 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 ZINC000225238216 222672458 /nfs/dbraw/zinc/67/24/58/222672458.db2.gz MGXHHOOLAYBCIA-ROUUACIJSA-N 0 0 384.495 4.009 40 0 GIABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccc2)cc1 ZINC000225285190 222672527 /nfs/dbraw/zinc/67/25/27/222672527.db2.gz SAROMLANGSBPPR-RGEXLXHISA-N 0 0 378.453 4.166 40 0 GIABRN Cc1ccc(CN(C(=O)CSc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225516451 222681051 /nfs/dbraw/zinc/68/10/51/222681051.db2.gz QWKCKJSTOAGUET-SFHVURJKSA-N 0 0 384.545 4.029 40 0 GIABRN CN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)N(C)C1=S ZINC000409050783 530039705 /nfs/dbraw/zinc/03/97/05/530039705.db2.gz ZQUFEZBIFRXDOG-YBEGLDIGSA-N 0 0 390.867 4.088 40 0 GIABRN CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O ZINC000409189563 530045713 /nfs/dbraw/zinc/04/57/13/530045713.db2.gz QMONOUASCFZXJL-OVCLIPMQSA-N 0 0 395.217 4.234 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)N[C@H](C)COc2ccc(C)cc2)c(C)c1 ZINC000225642461 222687926 /nfs/dbraw/zinc/68/79/26/222687926.db2.gz LQOTXCFLOYZMSS-MRXNPFEDSA-N 0 0 386.517 4.234 40 0 GIABRN O=C(Cn1ccc(=O)c2cc(Br)ccc21)Nc1ccccc1Cl ZINC000225727797 222692576 /nfs/dbraw/zinc/69/25/76/222692576.db2.gz ADKOVSCRMIGDKX-UHFFFAOYSA-N 0 0 391.652 4.056 40 0 GIABRN COc1cccc(-c2nnsc2C(=O)NCc2ccc(Cl)cc2Cl)c1 ZINC000225764804 222694944 /nfs/dbraw/zinc/69/49/44/222694944.db2.gz ADXYCOHQQBYEDL-UHFFFAOYSA-N 0 0 394.283 4.451 40 0 GIABRN COc1ccccc1NC(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000225766418 222695590 /nfs/dbraw/zinc/69/55/90/222695590.db2.gz PDKKXBRZBJWOHH-UHFFFAOYSA-N 0 0 375.428 4.269 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@@](C)(OCC)C2CC2)ccc1OCC(C)C ZINC000225836145 222700235 /nfs/dbraw/zinc/70/02/35/222700235.db2.gz OVVBYSHKGMZQNP-NRFANRHFSA-N 0 0 377.481 4.042 40 0 GIABRN O=C(c1ccccc1)N1CCC2(CC1)CC(=O)c1cccc(C(F)(F)F)c1O2 ZINC000225827342 222698751 /nfs/dbraw/zinc/69/87/51/222698751.db2.gz IIWWKNGNXXCFLG-UHFFFAOYSA-N 0 0 389.373 4.346 40 0 GIABRN CCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1C(=O)OC ZINC000225831383 222699753 /nfs/dbraw/zinc/69/97/53/222699753.db2.gz ZSYLFUCGYIVEFI-YCRPNKLZSA-N 0 0 377.481 4.186 40 0 GIABRN CC1(C(=O)Nc2ccc(OC(F)(F)F)cc2)COC(c2ccc(F)cc2)OC1 ZINC000225919722 222702158 /nfs/dbraw/zinc/70/21/58/222702158.db2.gz HOKYPNGNCAKLDA-UHFFFAOYSA-N 0 0 399.340 4.415 40 0 GIABRN CC(C)c1nc(Cc2ccc(NC(=O)COc3ccccc3Cl)cc2)no1 ZINC000226092201 222704700 /nfs/dbraw/zinc/70/47/00/222704700.db2.gz XBNKOAXKTMOUOJ-UHFFFAOYSA-N 0 0 385.851 4.455 40 0 GIABRN COc1ccccc1C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 ZINC000257260390 222764726 /nfs/dbraw/zinc/76/47/26/222764726.db2.gz LCQSOJYQKUNUNT-YHBROIRLSA-N 0 0 393.483 4.227 40 0 GIABRN O=C(c1ccnnc1)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257266460 222767016 /nfs/dbraw/zinc/76/70/16/222767016.db2.gz MDDNYXKIMWDOLF-GOSISDBHSA-N 0 0 382.851 4.076 40 0 GIABRN COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2scnc2C)o1 ZINC000257287432 222770384 /nfs/dbraw/zinc/77/03/84/222770384.db2.gz PPZCSVMKCZYFLA-KRWDZBQOSA-N 0 0 397.500 4.406 40 0 GIABRN Cc1cnc(Nc2cc([C@@H]3CCN(C(=O)C4CCCCC4)C3)nc(C)n2)s1 ZINC000257308605 222772809 /nfs/dbraw/zinc/77/28/09/222772809.db2.gz TXIWGIZHHCKUOV-MRXNPFEDSA-N 0 0 385.537 4.190 40 0 GIABRN COc1cccc2c1OC1(CCN(Cc3cncs3)CC1)[C@H]1CCCO[C@H]21 ZINC000257326204 222776101 /nfs/dbraw/zinc/77/61/01/222776101.db2.gz WWGKNZYAXKSDBL-PKOBYXMFSA-N 0 0 386.517 4.047 40 0 GIABRN Cc1cnc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)cn1 ZINC000257331726 222778164 /nfs/dbraw/zinc/77/81/64/222778164.db2.gz XUACVBVIOVJULA-INIZCTEOSA-N 0 0 396.878 4.037 40 0 GIABRN COC(=O)c1cc2c(cc1C[C@@H](Cc1ccc3c(c1)CCC3)C(=O)OC)CCC2 ZINC000001646094 212251982 /nfs/dbraw/zinc/25/19/82/212251982.db2.gz LSAOYGIQVKPNRH-JOCHJYFZSA-N 0 0 392.495 4.025 40 0 GIABRN Cn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1C1CC1 ZINC000001364658 212238718 /nfs/dbraw/zinc/23/87/18/212238718.db2.gz JLBSHYIITJYNFQ-UHFFFAOYSA-N 0 0 376.570 4.279 40 0 GIABRN COc1ccc2cc(CN(C(=O)c3ccc(C)cc3)C3CCCC3)c(=O)[nH]c2c1 ZINC000001366618 212238596 /nfs/dbraw/zinc/23/85/96/212238596.db2.gz ALINTEVLJROSTH-UHFFFAOYSA-N 0 0 390.483 4.430 40 0 GIABRN COc1ccc(OC)c(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000001358626 212238376 /nfs/dbraw/zinc/23/83/76/212238376.db2.gz MFUPXRATHJECKD-UHFFFAOYSA-N 0 0 382.485 4.333 40 0 GIABRN CC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccc(C)cc4)n3)ccc21 ZINC000001365427 212238040 /nfs/dbraw/zinc/23/80/40/212238040.db2.gz YOUKLXRLVYHCLC-UHFFFAOYSA-N 0 0 377.469 4.280 40 0 GIABRN CCN1c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c3cccc(c23)C1=O ZINC000001263422 212232957 /nfs/dbraw/zinc/23/29/57/212232957.db2.gz DKLHCGKMWFTIIQ-UHFFFAOYSA-N 0 0 386.860 4.274 40 0 GIABRN COc1ccc(CCC(=O)N(CC(C)C)c2nnc(-c3cccnc3)s2)cc1 ZINC000001356926 212236448 /nfs/dbraw/zinc/23/64/48/212236448.db2.gz CLHBXPSHGODSNE-UHFFFAOYSA-N 0 0 396.516 4.231 40 0 GIABRN COc1ccc2cc(-c3nc4cccc(C)n4c3NC(C)(C)C)c(=O)[nH]c2c1 ZINC000001330301 212236036 /nfs/dbraw/zinc/23/60/36/212236036.db2.gz IBZCLXXLGNAHSQ-UHFFFAOYSA-N 0 0 376.460 4.370 40 0 GIABRN O=C(c1cccc(S(=O)(=O)Nc2ccccc2)c1)N1CCCc2ccccc21 ZINC000000990794 212202629 /nfs/dbraw/zinc/20/26/29/212202629.db2.gz PREGFDQQYHBIGQ-UHFFFAOYSA-N 0 0 392.480 4.080 40 0 GIABRN O=C(c1ccccc1)N1C[C@H](COc2ccccc2)O[C@@H](c2cccs2)O1 ZINC000000710008 212176222 /nfs/dbraw/zinc/17/62/22/212176222.db2.gz QKOUIVDGEKTHKD-WIYYLYMNSA-N 0 0 381.453 4.299 40 0 GIABRN CCOC(=O)[C@H]1CC(=O)N(c2ccc3oc(-c4ccccc4Cl)nc3c2)C1 ZINC000057326982 212132275 /nfs/dbraw/zinc/13/22/75/212132275.db2.gz LBNQYRZXNYZGON-LBPRGKRZSA-N 0 0 384.819 4.064 40 0 GIABRN CCc1nnc2sc(-c3cc(Cl)c(Br)c(Cl)c3)nn12 ZINC000045920147 212119164 /nfs/dbraw/zinc/11/91/64/212119164.db2.gz ACOLRWYSHQXVQH-UHFFFAOYSA-N 0 0 378.082 4.485 40 0 GIABRN COc1cc2nc(-c3ccc(C)c(-n4cnnc4)c3)oc2c(Br)c1 ZINC000045920554 212118748 /nfs/dbraw/zinc/11/87/48/212118748.db2.gz ARYUFECQKMZBGX-UHFFFAOYSA-N 0 0 385.221 4.155 40 0 GIABRN 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[C@@H]32)C1 ZINC000118915087 212118534 /nfs/dbraw/zinc/11/85/34/212118534.db2.gz TVQDBRRFOFGWDS-BCUDGRBNSA-N 0 0 376.537 4.281 40 0 GIABRN OCc1ccc(OCc2ccc(F)cc2Cl)c(I)c1 ZINC000216810568 212105580 /nfs/dbraw/zinc/10/55/80/212105580.db2.gz HNQKXJJBVPVSOW-UHFFFAOYSA-N 0 0 392.595 4.155 40 0 GIABRN COc1ccc(CCNC(=O)CCc2ccc(C(F)(F)F)cc2)cc1OC ZINC000016697771 212100447 /nfs/dbraw/zinc/10/04/47/212100447.db2.gz MXUYMTATQVRKBQ-UHFFFAOYSA-N 0 0 381.394 4.014 40 0 GIABRN COc1cc(Cl)cc([C@@H](C)Nc2cc(F)ccc2S(C)(=O)=O)c1OC ZINC000016697497 212100021 /nfs/dbraw/zinc/10/00/21/212100021.db2.gz QFERHMHAQLSNAW-SNVBAGLBSA-N 0 0 387.860 4.073 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(C2CC2)n1 ZINC000329066607 212094669 /nfs/dbraw/zinc/09/46/69/212094669.db2.gz YCEVFOZNWBWEOI-INIZCTEOSA-N 0 0 381.307 4.255 40 0 GIABRN CCNc1nc(-c2ccccn2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000329023924 212093842 /nfs/dbraw/zinc/09/38/42/212093842.db2.gz OWJMRTHAEOTENP-UHFFFAOYSA-N 0 0 375.263 4.138 40 0 GIABRN CC(C)c1cc(N2Cc3ccccc3C(C)(C)C2)nc(N[C@H](CO)C(C)C)n1 ZINC000329020872 212093047 /nfs/dbraw/zinc/09/30/47/212093047.db2.gz OEKSCQWTLRRUAA-HXUWFJFHSA-N 0 0 382.552 4.327 40 0 GIABRN Cc1ccc(Nc2cc(-c3ccncc3)nc(N[C@@H](CO)C(C)C)n2)c(Cl)c1 ZINC000329007621 212091965 /nfs/dbraw/zinc/09/19/65/212091965.db2.gz LLTDOGLENIOUPE-IBGZPJMESA-N 0 0 397.910 4.095 40 0 GIABRN C[C@@H](O)c1ccc2c(c1)CCN(c1ccnc(Nc3cccc(Cl)c3)n1)C2 ZINC000329056742 212095375 /nfs/dbraw/zinc/09/53/75/212095375.db2.gz VUJPURFBHQEURV-CQSZACIVSA-N 0 0 380.879 4.490 40 0 GIABRN CCNc1nc(Nc2ccc(Br)c(F)c2)cc(-c2ccccc2)n1 ZINC000329049079 212095347 /nfs/dbraw/zinc/09/53/47/212095347.db2.gz UOBKCMLOIBBAJG-UHFFFAOYSA-N 0 0 387.256 4.064 40 0 GIABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(C2CC2)nc(N[C@@H](CO)C(C)C)n1 ZINC000328998555 212091800 /nfs/dbraw/zinc/09/18/00/212091800.db2.gz JSSOFGZZJLLARX-KRWDZBQOSA-N 0 0 394.441 4.276 40 0 GIABRN CC(C)c1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(Nc2ccccc2)n1 ZINC000328957127 212091227 /nfs/dbraw/zinc/09/12/27/212091227.db2.gz AJFBWEZSOWDHBG-QGZVFWFLSA-N 0 0 388.515 4.382 40 0 GIABRN CC(C)[C@H](CO)Nc1nc(NCc2cccc(Cl)c2)cc(-c2ccccc2)n1 ZINC000328977647 212090138 /nfs/dbraw/zinc/09/01/38/212090138.db2.gz FUKPFDCWZPDHQV-FQEVSTJZSA-N 0 0 396.922 4.260 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C ZINC000096957113 533070358 /nfs/dbraw/zinc/07/03/58/533070358.db2.gz XNVRFUMUUJRZSF-UHFFFAOYSA-N 0 0 379.787 4.477 40 0 GIABRN CCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(OC)cc4)nc3c2)c1 ZINC000000828067 220461124 /nfs/dbraw/zinc/46/11/24/220461124.db2.gz QFTYHTNRSAIHCY-UHFFFAOYSA-N 0 0 388.427 4.080 40 0 GIABRN COc1cc(OC)cc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1 ZINC000000917733 220466357 /nfs/dbraw/zinc/46/63/57/220466357.db2.gz JYSORMDJPBAGAA-UHFFFAOYSA-N 0 0 382.441 4.270 40 0 GIABRN Cc1nc(NC(=O)CSc2ccc(-c3nc4ccccc4[nH]3)cn2)sc1C ZINC000001329744 220488289 /nfs/dbraw/zinc/48/82/89/220488289.db2.gz CXUJGRJMUVWDEJ-UHFFFAOYSA-N 0 0 395.513 4.429 40 0 GIABRN Cc1ccc2cc(CN(Cc3ccccc3)C(=O)C(F)(F)F)c(=O)[nH]c2c1C ZINC000001359463 220490170 /nfs/dbraw/zinc/49/01/70/220490170.db2.gz KVHDATFVGSPBDV-UHFFFAOYSA-N 0 0 388.389 4.236 40 0 GIABRN COc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(C)cc4)C3)n2)cc1 ZINC000001362875 220491344 /nfs/dbraw/zinc/49/13/44/220491344.db2.gz QEDZDSGUDSUOLP-SFHVURJKSA-N 0 0 377.444 4.073 40 0 GIABRN O=C(Oc1csc(=S)n1C(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000003115078 220605383 /nfs/dbraw/zinc/60/53/83/220605383.db2.gz KXPNJLIJCAFJGZ-UHFFFAOYSA-N 0 0 377.393 4.465 40 0 GIABRN Cc1ccc(C(=O)NC2CCCCCCC2)cc1S(=O)(=O)N1CCCCC1 ZINC000003566957 220658584 /nfs/dbraw/zinc/65/85/84/220658584.db2.gz UTSSWPNKEZBELP-UHFFFAOYSA-N 0 0 392.565 4.012 40 0 GIABRN COCCCn1c(SCC(=O)OC2CCCCC2)nnc1-c1cccs1 ZINC000004161508 220686823 /nfs/dbraw/zinc/68/68/23/220686823.db2.gz NDGVZFQMWIMEJP-UHFFFAOYSA-N 0 0 395.550 4.011 40 0 GIABRN CCCCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccncc1 ZINC000004161390 220687493 /nfs/dbraw/zinc/68/74/93/220687493.db2.gz IJQHCEXDWBWINC-UHFFFAOYSA-N 0 0 395.532 4.488 40 0 GIABRN COc1ccc(C(=O)CSc2nc3cc4c(cc3cc2C)OCCO4)cc1 ZINC000004170925 220690653 /nfs/dbraw/zinc/69/06/53/220690653.db2.gz UDZJSPSPPQTVPA-UHFFFAOYSA-N 0 0 381.453 4.298 40 0 GIABRN COc1cccc(NC(=O)N2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccccc2)C3)c1 ZINC000004888181 220784602 /nfs/dbraw/zinc/78/46/02/220784602.db2.gz DGKRVEUFONFCKQ-IHWFROFDSA-N 0 0 393.487 4.043 40 0 GIABRN COC(=O)c1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2ccc(C)c(Cl)c2)C(=O)N1 ZINC000004852878 220776037 /nfs/dbraw/zinc/77/60/37/220776037.db2.gz ZUKJCLYUUKGMCW-JXFKEZNVSA-N 0 0 386.835 4.205 40 0 GIABRN Cc1cccc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C ZINC000005200158 220842884 /nfs/dbraw/zinc/84/28/84/220842884.db2.gz MCJCUPANGSBEFZ-UHFFFAOYSA-N 0 0 392.421 4.050 40 0 GIABRN COc1ccc(-c2nnc(SC(=O)c3ccc(Br)cc3)o2)cc1 ZINC000408691992 533201886 /nfs/dbraw/zinc/20/18/86/533201886.db2.gz ASWBJXIZOUPSCD-UHFFFAOYSA-N 0 0 391.246 4.440 40 0 GIABRN O=C(c1ccc2c(c1)OCO2)[C@H](Nc1ccccc1)c1ccc2c(c1)OCO2 ZINC000005939090 220908607 /nfs/dbraw/zinc/90/86/07/220908607.db2.gz NBSCXFKEBBNISS-OAQYLSRUSA-N 0 0 375.380 4.180 40 0 GIABRN Cc1cc(Br)c(NC(=O)Cn2cc(C=O)c3ccccc32)cc1C ZINC000006043995 220914736 /nfs/dbraw/zinc/91/47/36/220914736.db2.gz NVTQMAPMQLCXKO-UHFFFAOYSA-N 0 0 385.261 4.472 40 0 GIABRN COc1cc2sc(NC(=S)NC(=O)c3cccc(F)c3)nc2cc1Cl ZINC000006229988 220925314 /nfs/dbraw/zinc/92/53/14/220925314.db2.gz QEKGISUCVIWWBR-UHFFFAOYSA-N 0 0 395.868 4.224 40 0 GIABRN CCOC(=O)C(Cc1cccc2ccccc21)(C[C@H]1CCCO1)C(=O)OCC ZINC000006463316 220935656 /nfs/dbraw/zinc/93/56/56/220935656.db2.gz XGSMOSALSJBVLR-LJQANCHMSA-N 0 0 384.472 4.064 40 0 GIABRN CCOc1ccc(C2=NNC(c3cccnc3)=Nc3ccccc32)cc1OCC ZINC000006601890 220944281 /nfs/dbraw/zinc/94/42/81/220944281.db2.gz YAVGTFNJCBKPPW-UHFFFAOYSA-N 0 0 386.455 4.313 40 0 GIABRN COc1cccc([C@@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)c1 ZINC000006678927 220949446 /nfs/dbraw/zinc/94/94/46/220949446.db2.gz DZMWITBXMIBFAR-LIRRHRJNSA-N 0 0 379.485 4.353 40 0 GIABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc(Cl)c1Cl ZINC000008168655 221029815 /nfs/dbraw/zinc/02/98/15/221029815.db2.gz UFARFLQAUQGOJP-UHFFFAOYSA-N 0 0 385.272 4.137 40 0 GIABRN Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000008879444 221062837 /nfs/dbraw/zinc/06/28/37/221062837.db2.gz IXFFTBVAEBITSL-WNSKOXEYSA-N 0 0 383.488 4.167 40 0 GIABRN Cc1ccc(C)c(N(CC(=O)c2ccc3c(c2)OCCO3)C2=NCCCC2)c1 ZINC000008410756 221041180 /nfs/dbraw/zinc/04/11/80/221041180.db2.gz MBHINLVAMNCPQX-UHFFFAOYSA-N 0 0 378.472 4.346 40 0 GIABRN COc1ccc(N(CC(=O)c2ccc(C)cc2)C2=NCCCS2)cc1OC ZINC000008411369 221041201 /nfs/dbraw/zinc/04/12/01/221041201.db2.gz MPLRLHYTYMELNL-UHFFFAOYSA-N 0 0 384.501 4.194 40 0 GIABRN C[C@H](C(=O)c1ccc(Br)cc1)n1nc(-c2cccnc2)oc1=S ZINC000008534829 221043576 /nfs/dbraw/zinc/04/35/76/221043576.db2.gz CIGTVNGFARQSEX-SNVBAGLBSA-N 0 0 390.262 4.474 40 0 GIABRN CCCCCCNC(=O)/C(=C\c1ccc(OC)cc1)NC(=O)c1ccccc1 ZINC000008665113 221048581 /nfs/dbraw/zinc/04/85/81/221048581.db2.gz OFMCEHSDCLAWAC-HEHNFIMWSA-N 0 0 380.488 4.163 40 0 GIABRN COc1cccc(C=O)c1OCCCSc1nnc(-c2ccc(C)cc2)n1C ZINC000008731741 221052269 /nfs/dbraw/zinc/05/22/69/221052269.db2.gz PCRQJNOGVFEUFG-UHFFFAOYSA-N 0 0 397.500 4.173 40 0 GIABRN Cc1cc(C(F)F)n2ncc(C(=O)NC3(c4ccc(F)cc4)CCCC3)c2n1 ZINC000012155415 221160672 /nfs/dbraw/zinc/16/06/72/221160672.db2.gz RLVCNEJYLSDZFQ-UHFFFAOYSA-N 0 0 388.393 4.314 40 0 GIABRN CCn1c2ccccc2nc1N1CCC(C(=O)N[C@@H](C)CCc2ccco2)CC1 ZINC000012116403 221151611 /nfs/dbraw/zinc/15/16/11/221151611.db2.gz JATYBCJQLDKUKP-KRWDZBQOSA-N 0 0 394.519 4.003 40 0 GIABRN COc1ccccc1CC(=O)N[C@H](CC(C)C)c1nc2cccnc2n1C(C)C ZINC000012114115 221152062 /nfs/dbraw/zinc/15/20/62/221152062.db2.gz AOMXCKWHZGGXPC-LJQANCHMSA-N 0 0 394.519 4.467 40 0 GIABRN COc1cc(OC)c(-c2nc3cnccn3c2NC2CCCCC2)cc1OC ZINC000012113837 221152068 /nfs/dbraw/zinc/15/20/68/221152068.db2.gz SCXYFFIDDRTTAC-UHFFFAOYSA-N 0 0 382.464 4.167 40 0 GIABRN CC[C@H](C)[C@H](NC(=O)CCn1nc(C)cc1C)c1nc2cccnc2n1C(C)C ZINC000012114129 221152170 /nfs/dbraw/zinc/15/21/70/221152170.db2.gz FNDVGPLGLLFKBA-YWZLYKJASA-N 0 0 396.539 4.119 40 0 GIABRN COc1ccc2c(c1)N[C@@]1(CCCN(C(=O)[C@@H]3CC=CCC3)C1)c1cccn1-2 ZINC000012117307 221152272 /nfs/dbraw/zinc/15/22/72/221152272.db2.gz OESVXDDTYGKPCM-UZUQRXQVSA-N 0 0 377.488 4.085 40 0 GIABRN COc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1C ZINC000012143809 221158937 /nfs/dbraw/zinc/15/89/37/221158937.db2.gz KBDDBMVTEKFELL-IBGZPJMESA-N 0 0 391.471 4.207 40 0 GIABRN COc1ccc(CN(C)Cc2[nH]nc3c2CCCC3)cc1Cc1c(C)noc1C ZINC000012143737 221159072 /nfs/dbraw/zinc/15/90/72/221159072.db2.gz WYYRVTVHZZJNAW-UHFFFAOYSA-N 0 0 394.519 4.125 40 0 GIABRN Cc1nccn1CCC1CCN(C(=O)CCCc2cn(C)c3ccccc23)CC1 ZINC000012147508 221160280 /nfs/dbraw/zinc/16/02/80/221160280.db2.gz ZNSKSFDLWFXCTH-UHFFFAOYSA-N 0 0 392.547 4.335 40 0 GIABRN Cc1noc(-c2cnc(NCc3ccccc3F)nc2-c2cnc(C)cn2)c1C ZINC000012156313 221160544 /nfs/dbraw/zinc/16/05/44/221160544.db2.gz DVCRZDGPTZEFGA-UHFFFAOYSA-N 0 0 390.422 4.265 40 0 GIABRN Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H](C)NC(=O)C1CCCCC1 ZINC000012337936 221184035 /nfs/dbraw/zinc/18/40/35/221184035.db2.gz XELLCKAWJOYVQQ-AWEZNQCLSA-N 0 0 394.437 4.414 40 0 GIABRN C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@@H]3CC=CCC3)cc2N1 ZINC000012337974 221184090 /nfs/dbraw/zinc/18/40/90/221184090.db2.gz NNLGDQHSYTXUSZ-LUYZLQTOSA-N 0 0 382.430 4.210 40 0 GIABRN COc1cccc(CCNc2ncc(-c3cc(C)no3)c(-c3ccco3)n2)c1 ZINC000012184362 221163604 /nfs/dbraw/zinc/16/36/04/221163604.db2.gz WZEUCVQOAJVMAH-UHFFFAOYSA-N 0 0 376.416 4.363 40 0 GIABRN CCOc1ccc2[nH]c(C(=O)N3CCC(OCc4ccccc4)CC3)cc2c1 ZINC000012206070 221167534 /nfs/dbraw/zinc/16/75/34/221167534.db2.gz HSOUECILKKPVPQ-UHFFFAOYSA-N 0 0 378.472 4.388 40 0 GIABRN COc1ccc(-c2nc(NCc3ccc(F)cc3)ncc2-c2ncc[nH]2)cc1 ZINC000012221399 221168745 /nfs/dbraw/zinc/16/87/45/221168745.db2.gz LKGTTZQKJKGWRE-UHFFFAOYSA-N 0 0 375.407 4.294 40 0 GIABRN CC(C)C(=O)N1CCC(c2cc(C(F)(F)F)n3nc(C(C)(C)C)cc3n2)CC1 ZINC000012220001 221169002 /nfs/dbraw/zinc/16/90/02/221169002.db2.gz QVBNZQRVZLYMDG-UHFFFAOYSA-N 0 0 396.457 4.408 40 0 GIABRN COc1ccc(-c2nc(NCc3ccccc3F)ncc2-c2ncc[nH]2)cc1 ZINC000012221400 221169550 /nfs/dbraw/zinc/16/95/50/221169550.db2.gz GJOQDDVIQMZXMI-UHFFFAOYSA-N 0 0 375.407 4.294 40 0 GIABRN C[C@H]1Oc2ccc(NCc3cccc(OCc4cccnc4)c3)cc2N(C)C1=O ZINC000012238299 221171871 /nfs/dbraw/zinc/17/18/71/221171871.db2.gz RZMFTCSFOFESBQ-MRXNPFEDSA-N 0 0 389.455 4.016 40 0 GIABRN Cc1cc(C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)sc1C ZINC000012254733 221172898 /nfs/dbraw/zinc/17/28/98/221172898.db2.gz ORBOIMUCTHHYCN-UHFFFAOYSA-N 0 0 393.512 4.032 40 0 GIABRN COc1ccc2c(C)c(CC(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c(=O)oc2c1 ZINC000012893832 221242578 /nfs/dbraw/zinc/24/25/78/221242578.db2.gz BMYAQJQMDBJSDK-IQMFZBJNSA-N 0 0 383.488 4.080 40 0 GIABRN CCOC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1C ZINC000013668747 221279989 /nfs/dbraw/zinc/27/99/89/221279989.db2.gz ICOABHNZLXPEJL-UHFFFAOYSA-N 0 0 382.243 4.496 40 0 GIABRN CCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000013685315 221281269 /nfs/dbraw/zinc/28/12/69/221281269.db2.gz SULQURRPLZKFCX-INIZCTEOSA-N 0 0 376.456 4.386 40 0 GIABRN CC[C@@H](C(=O)Nc1ccc2ccccc2c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713103 221282802 /nfs/dbraw/zinc/28/28/02/221282802.db2.gz CKBGMBYAXCZREJ-NRFANRHFSA-N 0 0 396.512 4.332 40 0 GIABRN CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715195 221283445 /nfs/dbraw/zinc/28/34/45/221283445.db2.gz WDLGBFQRIZFHOK-IBGZPJMESA-N 0 0 392.496 4.132 40 0 GIABRN Cc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1Cl ZINC000014001082 221295070 /nfs/dbraw/zinc/29/50/70/221295070.db2.gz ITTLYUBJOKIZOF-UHFFFAOYSA-N 0 0 386.879 4.292 40 0 GIABRN Clc1ccc(CN(CCCN2CCOCC2)Cc2ccncc2)c(Cl)c1 ZINC000013989992 221295123 /nfs/dbraw/zinc/29/51/23/221295123.db2.gz JHCYIMXLCGZNPJ-UHFFFAOYSA-N 0 0 394.346 4.113 40 0 GIABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000014003358 221295355 /nfs/dbraw/zinc/29/53/55/221295355.db2.gz VXGLMTIGHOIMBQ-FQEVSTJZSA-N 0 0 392.455 4.314 40 0 GIABRN CC(C)NC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000014009128 221295803 /nfs/dbraw/zinc/29/58/03/221295803.db2.gz OGZQCIWSFIAMFR-UHFFFAOYSA-N 0 0 381.259 4.149 40 0 GIABRN COc1ccc(-c2nnc(SCc3cccc(Cl)c3)n2C)cc1OC ZINC000014083273 221298318 /nfs/dbraw/zinc/29/83/18/221298318.db2.gz NPRZPYJLGQOTRQ-UHFFFAOYSA-N 0 0 375.881 4.445 40 0 GIABRN CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1O[C@H](C)CC ZINC000015008991 221326429 /nfs/dbraw/zinc/32/64/29/221326429.db2.gz PWMOCXABKJIPKX-KELUXRKGSA-N 0 0 394.496 4.033 40 0 GIABRN COc1ccc(C(=O)N[C@@H]2C=C[C@@H](c3c(C)nn(-c4ccccc4)c3C)C2)cc1 ZINC000015673902 221338555 /nfs/dbraw/zinc/33/85/55/221338555.db2.gz NWWNTPIIDXSZKI-WOJBJXKFSA-N 0 0 387.483 4.340 40 0 biogenic,in-vitro GIABRN O=C(Nc1ccc(I)cc1)c1cc(-c2ccccc2)on1 ZINC000016705685 221369130 /nfs/dbraw/zinc/36/91/30/221369130.db2.gz MHYZWZOGEZAMCU-UHFFFAOYSA-N 0 0 390.180 4.199 40 0 GIABRN O=C(COc1cccc2ccccc21)Nc1ccccc1C(=O)N1CCCCC1 ZINC000016014260 221355450 /nfs/dbraw/zinc/35/54/50/221355450.db2.gz RAAVTZQHWIBVFJ-UHFFFAOYSA-N 0 0 388.467 4.483 40 0 GIABRN CC(C)c1ccc(NC(=S)NC2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000016705172 221369304 /nfs/dbraw/zinc/36/93/04/221369304.db2.gz CWQYLIKYQANAMV-UHFFFAOYSA-N 0 0 381.545 4.401 40 0 GIABRN CCC(=O)n1c(CC)nc2c1SC(c1ccc(Cl)cc1)=NN2C(=O)CC ZINC000016777625 221370265 /nfs/dbraw/zinc/37/02/65/221370265.db2.gz SPUWAVBTKQYXJC-UHFFFAOYSA-N 0 0 390.896 4.360 40 0 GIABRN COc1ccccc1-c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N ZINC000016756056 221370627 /nfs/dbraw/zinc/37/06/27/221370627.db2.gz NRBXBAZJYQPXLB-UHFFFAOYSA-N 0 0 381.288 4.267 40 0 GIABRN CC(C)(C)c1ccc(OCC(=O)NCC2(c3ccccc3)CCOCC2)cc1 ZINC000016968925 221374551 /nfs/dbraw/zinc/37/45/51/221374551.db2.gz DDWLXHYRXCHBEP-UHFFFAOYSA-N 0 0 381.516 4.228 40 0 GIABRN CC(C)C[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000018089437 221386882 /nfs/dbraw/zinc/38/68/82/221386882.db2.gz BIBIMNXLUWFCTR-FHWLQOOXSA-N 0 0 384.863 4.065 40 0 GIABRN CC[C@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1ccc(OC)cc1 ZINC000018131621 221387215 /nfs/dbraw/zinc/38/72/15/221387215.db2.gz KOWYXVWSPCZZNY-UGSOOPFHSA-N 0 0 392.293 4.493 40 0 GIABRN CC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000019020585 221395423 /nfs/dbraw/zinc/39/54/23/221395423.db2.gz QREANQFYNSXUFT-HXUWFJFHSA-N 0 0 392.330 4.478 40 0 GIABRN CC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000019020491 221395433 /nfs/dbraw/zinc/39/54/33/221395433.db2.gz QTNJZGDTSIYJMT-HXUWFJFHSA-N 0 0 392.330 4.478 40 0 GIABRN CC(C)(C)C(=O)N1CCC[C@](Cc2ccc(-c3cccs3)cc2)(C(N)=O)C1 ZINC000019081140 221396678 /nfs/dbraw/zinc/39/66/78/221396678.db2.gz WNGPSJPIBSHBAG-JOCHJYFZSA-N 0 0 384.545 4.098 40 0 GIABRN COc1cccc(CN2CCCC[C@@H]2c2[nH]ncc2-c2cc(C)no2)c1OC ZINC000019120944 221397487 /nfs/dbraw/zinc/39/74/87/221397487.db2.gz AWGRCDWEAWQYLV-QGZVFWFLSA-N 0 0 382.464 4.118 40 0 GIABRN COCCn1c(C)cc2cc(NC(=O)c3ccccc3Cn3ccnc3)ccc21 ZINC000019126318 221397864 /nfs/dbraw/zinc/39/78/64/221397864.db2.gz RVDCUKQMFIMWOH-UHFFFAOYSA-N 0 0 388.471 4.093 40 0 GIABRN Cc1cc2nccc([C@@H]3CCCN3C(=O)C3(c4ccc(Cl)cc4)CCC3)n2n1 ZINC000019130684 221398239 /nfs/dbraw/zinc/39/82/39/221398239.db2.gz CVMAGAAOPVELHU-SFHVURJKSA-N 0 0 394.906 4.477 40 0 GIABRN CNc1nc(C)c(C(=O)NCCc2nc(-c3ccc(Cl)cc3)cs2)s1 ZINC000019560927 221426113 /nfs/dbraw/zinc/42/61/13/221426113.db2.gz XQDWOXDQOXNKFL-UHFFFAOYSA-N 0 0 392.937 4.243 40 0 GIABRN CCC[C@H](NC(=O)c1[nH]nc(-c2ccccc2)c1C)c1ccc2c(c1)OCCO2 ZINC000019501839 221417030 /nfs/dbraw/zinc/41/70/30/221417030.db2.gz VMQZTZCQNTUUKB-SFHVURJKSA-N 0 0 391.471 4.428 40 0 GIABRN CC[C@H](C(=O)N1CCC[C@H](c2noc(-c3ccccn3)n2)C1)c1ccccc1 ZINC000019500548 221417451 /nfs/dbraw/zinc/41/74/51/221417451.db2.gz KRRRJNGUOUMXQT-ROUUACIJSA-N 0 0 376.460 4.031 40 0 GIABRN CCC(=O)N1CC[C@](Cc2cccc(-c3ccc(F)cc3)c2)(C(=O)NC(C)C)C1 ZINC000019498437 221417792 /nfs/dbraw/zinc/41/77/92/221417792.db2.gz JPVHCZZHDWDPSL-XMMPIXPASA-N 0 0 396.506 4.189 40 0 GIABRN CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)CC)C1 ZINC000019498663 221417910 /nfs/dbraw/zinc/41/79/10/221417910.db2.gz PDYWQXTVWKSDRF-XMMPIXPASA-N 0 0 378.516 4.051 40 0 GIABRN COc1cccc(NC(=O)Nc2ccc(-c3cn4nc(C)c(C)nc4n3)cc2)c1 ZINC000019657240 221436432 /nfs/dbraw/zinc/43/64/32/221436432.db2.gz QUESZIUEBFSGEH-UHFFFAOYSA-N 0 0 388.431 4.061 40 0 GIABRN O=C(CCc1cccc(Cl)c1)N1CCC[C@@H]1c1ccc(-c2cncnc2)cn1 ZINC000019688973 221439490 /nfs/dbraw/zinc/43/94/90/221439490.db2.gz XQQFFBTVFSGRQB-OAQYLSRUSA-N 0 0 392.890 4.488 40 0 GIABRN CCCc1c(=O)[nH]c(Nc2nc(C)c(C(=O)OCC)s2)nc1-c1ccccc1 ZINC000019819594 221457503 /nfs/dbraw/zinc/45/75/03/221457503.db2.gz DAKADFNMVVDGGM-UHFFFAOYSA-N 0 0 398.488 4.075 40 0 GIABRN COc1ccccc1CNc1cc([C@@H](C)Cn2nc(C)c(C)c2C)nc(C)n1 ZINC000019717885 221446541 /nfs/dbraw/zinc/44/65/41/221446541.db2.gz NJXJPNKSVVHYAB-AWEZNQCLSA-N 0 0 379.508 4.331 40 0 GIABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)COc1ccc(OC)cc1 ZINC000020050487 221469995 /nfs/dbraw/zinc/46/99/95/221469995.db2.gz VVVLJGAOHNMIAM-AUUYWEPGSA-N 0 0 377.868 4.090 40 0 GIABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 ZINC000020050481 221470196 /nfs/dbraw/zinc/47/01/96/221470196.db2.gz VVVLJGAOHNMIAM-IFXJQAMLSA-N 0 0 377.868 4.090 40 0 GIABRN COc1cc(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)o2)cc(OC)c1OC ZINC000020495975 221495585 /nfs/dbraw/zinc/49/55/85/221495585.db2.gz JLFOVYCMPQUWQJ-UHFFFAOYSA-N 0 0 397.431 4.138 40 0 GIABRN COCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(F)cc2)C1=O ZINC000409130496 533340508 /nfs/dbraw/zinc/34/05/08/533340508.db2.gz HWARYXFVSNXLSL-LDADJPATSA-N 0 0 387.432 4.087 40 0 GIABRN COCCN1C(=O)S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000409125114 533340601 /nfs/dbraw/zinc/34/06/01/533340601.db2.gz CCMMWDNVVGXYQD-DEDYPNTBSA-N 0 0 392.480 4.372 40 0 GIABRN COc1ccc(CNC(=O)CCc2ccc(Cl)cc2Cl)c(OC)c1OC ZINC000121603762 533579722 /nfs/dbraw/zinc/57/97/22/533579722.db2.gz XMEBZJKFXNYDCN-UHFFFAOYSA-N 0 0 398.286 4.268 40 0 GIABRN Cc1nc([C@H]2CCCN2C(=O)C(C)C)nc2c1CCCN2CCc1ccccc1 ZINC000072373797 136169222 /nfs/dbraw/zinc/16/92/22/136169222.db2.gz NDWMCBYGNPQPEH-OAQYLSRUSA-N 0 0 392.547 4.100 40 0 GIABRN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3c(C)cccc3C(C)C)ccc21 ZINC000153351847 136195394 /nfs/dbraw/zinc/19/53/94/136195394.db2.gz RJMIAIYLSCKULX-UHFFFAOYSA-N 0 0 386.517 4.218 40 0 GIABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCCN2CCCc3ccccc32)c1 ZINC000219305110 136204134 /nfs/dbraw/zinc/20/41/34/136204134.db2.gz BVKBZTRGBLEYRS-HXUWFJFHSA-N 0 0 380.532 4.338 40 0 GIABRN Cc1cccc(N2CCN(C(=O)c3cnc(-c4ccccc4)nc3C)CC2)c1C ZINC000222559360 136204832 /nfs/dbraw/zinc/20/48/32/136204832.db2.gz ZIPDDMIYXBQEDC-UHFFFAOYSA-N 0 0 386.499 4.031 40 0 GIABRN Cc1cc(C)c([C@H](C)NC(=O)c2cnc3sc4c(n3c2=O)CCCC4)cc1C ZINC000022606238 221563952 /nfs/dbraw/zinc/56/39/52/221563952.db2.gz KUAVOMVNNGLXKR-HNNXBMFYSA-N 0 0 395.528 4.051 40 0 GIABRN CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OCc1ccccc1Cl ZINC000033396237 221791414 /nfs/dbraw/zinc/79/14/14/221791414.db2.gz YFFUHCRGEPIWDV-YVLHZVERSA-N 0 0 388.876 4.456 40 0 GIABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000059351866 222056343 /nfs/dbraw/zinc/05/63/43/222056343.db2.gz UPQMFWBKQGHONP-SUMWQHHRSA-N 0 0 377.868 4.392 40 0 GIABRN O=C(CN1CCCC[C@@H]1c1cccnc1)Nc1nc(-c2ccccc2)cs1 ZINC000066091666 222137977 /nfs/dbraw/zinc/13/79/77/222137977.db2.gz BGOVKFTUYRMSDD-LJQANCHMSA-N 0 0 378.501 4.371 40 0 GIABRN c1ccc(COc2ccc(-c3nnc4nc(-c5ccccc5)cnn43)cc2)cc1 ZINC000068562017 222170816 /nfs/dbraw/zinc/17/08/16/222170816.db2.gz JGOSVLXLFVDUIV-UHFFFAOYSA-N 0 0 379.423 4.432 40 0 GIABRN Ic1ccc2cc(I)ccc2c1 ZINC000071256644 222178383 /nfs/dbraw/zinc/17/83/83/222178383.db2.gz JEVDBSPYZIVTGM-UHFFFAOYSA-N 0 0 379.966 4.049 40 0 GIABRN C[C@@]12CC[C@@H](C[C@@H]1C(=O)NC1CCCCCC1)[C@@]1(C2)Nc2ccccc2C(=O)N1 ZINC000072326950 222229171 /nfs/dbraw/zinc/22/91/71/222229171.db2.gz FPXHHXMDWZMCJP-NNWNLIPWSA-N 0 0 395.547 4.204 40 0 GIABRN CCC(=O)N1CCC(Cc2cccc(-c3ccccc3)c2)(C(=O)N(C)C)CC1 ZINC000072345290 222233790 /nfs/dbraw/zinc/23/37/90/222233790.db2.gz YZHYGWONCHECNF-UHFFFAOYSA-N 0 0 378.516 4.003 40 0 GIABRN O=C(COc1ccccc1)N1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000072349064 222235019 /nfs/dbraw/zinc/23/50/19/222235019.db2.gz HIJNUIVPTYPECM-OAQYLSRUSA-N 0 0 386.495 4.457 40 0 GIABRN COc1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4ccncc4)C3)n2)c1 ZINC000072349429 222235956 /nfs/dbraw/zinc/23/59/56/222235956.db2.gz OOMSNKRWSJJCHS-FQEVSTJZSA-N 0 0 387.483 4.101 40 0 GIABRN Cc1n[nH]cc1C(=O)N1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072349769 222236046 /nfs/dbraw/zinc/23/60/46/222236046.db2.gz YXCHVFDHHRBGCD-QGZVFWFLSA-N 0 0 394.906 4.377 40 0 GIABRN COc1ccccc1Cc1cccc(C2CCN(C(=O)c3ccncc3)CC2)n1 ZINC000072349174 222236255 /nfs/dbraw/zinc/23/62/55/222236255.db2.gz DHMMVAXAQZVIOA-UHFFFAOYSA-N 0 0 387.483 4.096 40 0 GIABRN O=C(Cc1ccncc1)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072349421 222236264 /nfs/dbraw/zinc/23/62/64/222236264.db2.gz URUALURNSZSIFP-IBGZPJMESA-N 0 0 375.447 4.231 40 0 GIABRN COc1ccccc1Cc1cccc([C@H]2CCCN(C(=O)c3ccncc3)C2)n1 ZINC000072349176 222236845 /nfs/dbraw/zinc/23/68/45/222236845.db2.gz JANRJWPUPHUXFK-FQEVSTJZSA-N 0 0 387.483 4.096 40 0 GIABRN O=C(Cc1cccnc1)N1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072349373 222236874 /nfs/dbraw/zinc/23/68/74/222236874.db2.gz ABMKTBFIAIPRMW-GOSISDBHSA-N 0 0 375.447 4.231 40 0 GIABRN COc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)Cc3ccccc3)C2)c1 ZINC000072358634 222238706 /nfs/dbraw/zinc/23/87/06/222238706.db2.gz OIICGVUVVCKARK-FQEVSTJZSA-N 0 0 387.483 4.101 40 0 GIABRN Cc1ncsc1C(=O)N1CCC(c2cncc(-c3ccccc3C)n2)CC1 ZINC000072359705 222238852 /nfs/dbraw/zinc/23/88/52/222238852.db2.gz UFALQPYEPMZZLR-UHFFFAOYSA-N 0 0 378.501 4.237 40 0 GIABRN Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)c4nccn4C)C3)c2)c1 ZINC000072356225 222238938 /nfs/dbraw/zinc/23/89/38/222238938.db2.gz SEWVLFPJPKRCGS-OAQYLSRUSA-N 0 0 388.515 4.043 40 0 GIABRN O=C(COc1ccccc1)N1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 ZINC000072359474 222239287 /nfs/dbraw/zinc/23/92/87/222239287.db2.gz RMTKIPRXJNRGOI-UHFFFAOYSA-N 0 0 391.446 4.068 40 0 GIABRN O=C(Cc1ccccn1)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072357934 222239456 /nfs/dbraw/zinc/23/94/56/222239456.db2.gz LSSATDCCBLXTCM-QFIPXVFZSA-N 0 0 375.447 4.113 40 0 GIABRN O=C(c1cccnc1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359500 222239697 /nfs/dbraw/zinc/23/96/97/222239697.db2.gz AZWUGEXAXXAGPX-QGZVFWFLSA-N 0 0 378.863 4.212 40 0 GIABRN O=C(CN1CCC[C@H]1c1cccc(Cc2ccccc2F)n1)Nc1nccs1 ZINC000072357699 222239840 /nfs/dbraw/zinc/23/98/40/222239840.db2.gz CBWQDMGMOPQBSB-IBGZPJMESA-N 0 0 396.491 4.044 40 0 GIABRN COc1cccc(-c2cncc(C3CCN(C(=O)c4ccc(F)cc4)CC3)n2)c1 ZINC000072359343 222239947 /nfs/dbraw/zinc/23/99/47/222239947.db2.gz AIIDWPYQSBIKPT-UHFFFAOYSA-N 0 0 391.446 4.311 40 0 GIABRN Cc1cc(Oc2ccccc2C)nc(C2CCN(C(=O)C3CCOCC3)CC2)n1 ZINC000072362915 222241542 /nfs/dbraw/zinc/24/15/42/222241542.db2.gz GHVTZQHCOZZCCP-UHFFFAOYSA-N 0 0 395.503 4.018 40 0 GIABRN COc1cccc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)CCOc2ccccc2)c1 ZINC000072380401 222245275 /nfs/dbraw/zinc/24/52/75/222245275.db2.gz RGHCKYGSOJWSIT-NRFANRHFSA-N 0 0 391.471 4.218 40 0 GIABRN CCc1nnc([N-]c2cncc([C@@H]3CCC[N@@H+]3CCc3ccccc3)n2)s1 ZINC000072376243 222245455 /nfs/dbraw/zinc/24/54/55/222245455.db2.gz WPLLUMAMHCHCBU-KRWDZBQOSA-N 0 0 380.521 4.014 40 0 GIABRN Cc1nccn1-c1cccc([C@@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)n1 ZINC000072379247 222245474 /nfs/dbraw/zinc/24/54/74/222245474.db2.gz KWUXCQAINAGYHQ-LJQANCHMSA-N 0 0 392.478 4.054 40 0 GIABRN COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)c2ccccc2)c1 ZINC000072376796 222245611 /nfs/dbraw/zinc/24/56/11/222245611.db2.gz KRZTULHDQQTFOA-HXUWFJFHSA-N 0 0 388.471 4.102 40 0 GIABRN O=C(c1ccncc1)N1CCC[C@@H]1c1cncc(Oc2ccc(Cl)cc2)n1 ZINC000072383771 222246701 /nfs/dbraw/zinc/24/67/01/222246701.db2.gz PFRORRYPYZVNDP-GOSISDBHSA-N 0 0 380.835 4.295 40 0 GIABRN CC1(C)Cc2c(cnn2Cc2ccccc2)[C@H](NC(=O)c2cc(C3CC3)on2)C1 ZINC000072396230 222251238 /nfs/dbraw/zinc/25/12/38/222251238.db2.gz ZBXKDWFIITWOPN-LJQANCHMSA-N 0 0 390.487 4.240 40 0 GIABRN Cc1nn(-c2ccccc2)c2nc3c(cc12)CN(CCc1ccccc1)C(=O)O3 ZINC000072396592 222252551 /nfs/dbraw/zinc/25/25/51/222252551.db2.gz OZCUREGADMUMOC-UHFFFAOYSA-N 0 0 384.439 4.286 40 0 GIABRN CCCOc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1OCCC ZINC000072414202 222257662 /nfs/dbraw/zinc/25/76/62/222257662.db2.gz SAIIIFGLAGWZTG-INIZCTEOSA-N 0 0 389.517 4.404 40 0 GIABRN CCCCN(CC)C(=O)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn21 ZINC000096037998 222374245 /nfs/dbraw/zinc/37/42/45/222374245.db2.gz COBHQVMZVHPMLD-UHFFFAOYSA-N 0 0 387.487 4.449 40 0 GIABRN O=C(C[C@H]1CC2(CCN(C(=O)c3cccs3)CC2)c2ccccc21)NC1CC1 ZINC000096053012 222374648 /nfs/dbraw/zinc/37/46/48/222374648.db2.gz YRHUOYUARXGVAA-INIZCTEOSA-N 0 0 394.540 4.078 40 0 GIABRN Cc1ccc(NC(=O)c2cc(-c3cnc(N(C)C)nc3)cn2CC2CC2)c(F)c1 ZINC000096037645 222374679 /nfs/dbraw/zinc/37/46/79/222374679.db2.gz JKIIQKABPWHDDG-UHFFFAOYSA-N 0 0 393.466 4.121 40 0 GIABRN O=C(NCc1cccc(F)c1)c1cc2c(s1)CCN2C(=O)c1ccc(F)cc1 ZINC000096146802 222389767 /nfs/dbraw/zinc/38/97/67/222389767.db2.gz RZYIQPDGSKPEGJ-UHFFFAOYSA-N 0 0 398.434 4.159 40 0 GIABRN COCCN(C)C(=O)c1cnc(-c2noc3cc(-c4ccccc4)ccc32)s1 ZINC000096154512 222390778 /nfs/dbraw/zinc/39/07/78/222390778.db2.gz KISSBAGWLFQPNL-UHFFFAOYSA-N 0 0 393.468 4.337 40 0 GIABRN COc1cccc(-c2ccc3c([C@@H]4CCCN4C(=O)c4ccccc4)nnn3c2)c1 ZINC000096267912 222405788 /nfs/dbraw/zinc/40/57/88/222405788.db2.gz PGTNMVRRYONKPC-NRFANRHFSA-N 0 0 398.466 4.382 40 0 GIABRN COC(=O)C=C(C)Nc1ccc(Cc2ccc(NC(C)=CC(=O)OC)cc2)cc1 ZINC000104085734 222499816 /nfs/dbraw/zinc/49/98/16/222499816.db2.gz UDAXHNNGKMYRBK-DISAMGIASA-N 0 0 394.471 4.255 40 0 GIABRN CCCCCCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 ZINC000104847394 222503824 /nfs/dbraw/zinc/50/38/24/222503824.db2.gz PCOWLSVYNCFHMS-OAQYLSRUSA-N 0 0 399.487 4.353 40 0 GIABRN C[C@@H]1CCCC2=C1NN(C(=O)c1ccc(C(C)(C)C)cc1)[C@]2(O)C(F)(F)F ZINC000409178479 533794882 /nfs/dbraw/zinc/79/48/82/533794882.db2.gz KDCYZFYPHVPDRC-KPAZRMRSSA-N 0 0 382.426 4.483 40 0 GIABRN COc1cccc([C@H]2Nc3c(sc(=S)n3-c3ccccc3)C(=O)N2)c1OC ZINC000408977104 533805012 /nfs/dbraw/zinc/80/50/12/533805012.db2.gz VCZPGYGNIOSWLJ-INIZCTEOSA-N 0 0 399.497 4.140 40 0 GIABRN Cc1ccc(CSCc2nnc(SCC(=O)Nc3ccccc3)n2C)cc1 ZINC000409365163 534107441 /nfs/dbraw/zinc/10/74/41/534107441.db2.gz YZQHOADDSWIAGY-UHFFFAOYSA-N 0 0 398.557 4.288 40 0 GIABRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)COc1ccccc1Cl ZINC000020610972 534141453 /nfs/dbraw/zinc/14/14/53/534141453.db2.gz ZWBUEMNXNWCVHK-UHFFFAOYSA-N 0 0 392.846 4.400 40 0 GIABRN Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC=C(C)C[C@@H]4C3=O)cc2)c(C)c1 ZINC000408686068 534190674 /nfs/dbraw/zinc/19/06/74/534190674.db2.gz RXLMAFPMKDSTJZ-UXHICEINSA-N 0 0 388.467 4.401 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1C(=O)NCC(C)C ZINC000408584256 534212998 /nfs/dbraw/zinc/21/29/98/534212998.db2.gz NNLFOLCQLUOVAO-UHFFFAOYSA-N 0 0 388.533 4.305 40 0 GIABRN Cc1ccc(-c2nnc3n2c2ccccc2c(=O)n3Cc2ccc(F)cc2)cc1 ZINC000006781206 534227260 /nfs/dbraw/zinc/22/72/60/534227260.db2.gz PZYMGKXUTZCURU-UHFFFAOYSA-N 0 0 384.414 4.207 40 0 GIABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)c4cccnc4)c(C)c3s2)n1 ZINC000072228749 518186971 /nfs/dbraw/zinc/18/69/71/518186971.db2.gz KRXDBCNBCMLKHU-UHFFFAOYSA-N 0 0 377.473 4.363 40 0 GIABRN Cc1ccsc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O ZINC000409173769 534455709 /nfs/dbraw/zinc/45/57/09/534455709.db2.gz RSAXWDVDJRYYFN-RIYZIHGNSA-N 0 0 392.889 4.385 40 0 GIABRN Fc1cccc(CNc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)c1 ZINC000328965647 534517963 /nfs/dbraw/zinc/51/79/63/534517963.db2.gz CETPPSDFQYOXGA-UHFFFAOYSA-N 0 0 376.479 4.483 40 0 GIABRN Cc1cccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)n1 ZINC000409150452 534574752 /nfs/dbraw/zinc/57/47/52/534574752.db2.gz BXQVQPNZOKYPBX-OQLLNIDSSA-N 0 0 389.274 4.389 40 0 GIABRN O=C1NC(Nc2ccccc2F)S/C1=C\c1ccc(Br)cc1 ZINC000408799739 534802307 /nfs/dbraw/zinc/80/23/07/534802307.db2.gz IDZNPFRSOGRBQS-UHFFFAOYSA-N 0 0 378.246 4.351 40 0 GIABRN O=C1S[C@H](Cc2ccccc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000409162524 534824869 /nfs/dbraw/zinc/82/48/69/534824869.db2.gz WJVSRIUMTMJSHX-OAHLLOKOSA-N 0 0 376.275 4.256 40 0 GIABRN CC(C)(C)SCCNC(=O)CSCc1ccccc1Br ZINC000408920620 526603913 /nfs/dbraw/zinc/60/39/13/526603913.db2.gz KMXDRWXLQDCLDG-UHFFFAOYSA-N 0 0 376.385 4.330 40 0 GIABRN CC(C)C1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccc(-c3ccccc3)cc2)N1 ZINC000409061695 527625576 /nfs/dbraw/zinc/62/55/76/527625576.db2.gz ZZDHHPXVBSONPX-IBGZPJMESA-N 0 0 376.378 4.462 40 0 GIABRN CC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000408706876 527631832 /nfs/dbraw/zinc/63/18/32/527631832.db2.gz GSESVPVKUGINHR-UHFFFAOYSA-N 0 0 381.314 4.109 40 0 GIABRN CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3)o2)c1 ZINC000409333620 527868370 /nfs/dbraw/zinc/86/83/70/527868370.db2.gz UUZRPRSLMXQYAO-UHFFFAOYSA-N 0 0 397.456 4.033 40 0 GIABRN CC1=C(C(=O)O[C@H]2CC[C@H](C)[C@H](C)C2)[C@H](c2ccc(Cl)cc2)NC(=O)N1 ZINC000101112992 528083528 /nfs/dbraw/zinc/08/35/28/528083528.db2.gz SHEGXKQQQJYNOU-GWLLULGVSA-N 0 0 376.884 4.336 40 0 GIABRN CCCN1C(=O)N/C(=C/c2ccc(OCc3cccc(C)c3)c(OCC)c2)C1=O ZINC000409224684 528175140 /nfs/dbraw/zinc/17/51/40/528175140.db2.gz IQHSHBAMESDSCB-CPNJWEJPSA-N 0 0 394.471 4.275 40 0 GIABRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc(Cl)c1O ZINC000409043441 528195043 /nfs/dbraw/zinc/19/50/43/528195043.db2.gz FHLOSUDEVWMFGK-GDNBJRDFSA-N 0 0 388.876 4.049 40 0 GIABRN CCNC(=S)N(Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000884685 528276595 /nfs/dbraw/zinc/27/65/95/528276595.db2.gz UGDMBZCDGDGZGS-UHFFFAOYSA-N 0 0 385.558 4.103 40 0 GIABRN CCCN1c2ccccc2/C(=C/c2cc3c(cc2Br)OCO3)C1=O ZINC000409110591 528330486 /nfs/dbraw/zinc/33/04/86/528330486.db2.gz FGDMOSCVVFAMAB-ZSOIEALJSA-N 0 0 386.245 4.475 40 0 GIABRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(CC)cc2)c1 ZINC000408628756 528429806 /nfs/dbraw/zinc/42/98/06/528429806.db2.gz XDJZHQBZSRIZOI-UHFFFAOYSA-N 0 0 389.908 4.378 40 0 GIABRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(C)c(C)c2)c1 ZINC000408628021 528430580 /nfs/dbraw/zinc/43/05/80/528430580.db2.gz PNGRBMLLRBXGHD-UHFFFAOYSA-N 0 0 389.908 4.432 40 0 GIABRN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000103718367 528546100 /nfs/dbraw/zinc/54/61/00/528546100.db2.gz HMLUYBOFQIMEFJ-LBPRGKRZSA-N 0 0 393.270 4.384 40 0 GIABRN CCCCOC(=O)c1cc(NC(=O)CSc2nnc(C)s2)ccc1Cl ZINC000408599788 528564830 /nfs/dbraw/zinc/56/48/30/528564830.db2.gz KSPBBOPHDVUZNT-UHFFFAOYSA-N 0 0 399.925 4.188 40 0 GIABRN CCOc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1C ZINC000408586336 528578805 /nfs/dbraw/zinc/57/88/05/528578805.db2.gz NNZRMXQSEZWDCY-UHFFFAOYSA-N 0 0 381.497 4.462 40 0 GIABRN CCOc1ccc2nc(NC(=S)NC(=O)c3ccc(CC)cc3)sc2c1 ZINC000408628205 528626409 /nfs/dbraw/zinc/62/64/09/528626409.db2.gz QUILDJFYPVJNAY-UHFFFAOYSA-N 0 0 385.514 4.384 40 0 GIABRN CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000409107309 528694004 /nfs/dbraw/zinc/69/40/04/528694004.db2.gz OPTYNLDECFSUEQ-UHFFFAOYSA-N 0 0 398.507 4.395 40 0 GIABRN CCOc1ccccc1-c1nc(SCC(=O)Nc2ccccc2Cl)n[nH]1 ZINC000408526949 528700545 /nfs/dbraw/zinc/70/05/45/528700545.db2.gz IFPPJUJMZSVFIB-UHFFFAOYSA-N 0 0 388.880 4.255 40 0 GIABRN CCCc1sc(NC(=O)c2cccnc2)nc1-c1cc(OC)cc(OC)c1 ZINC000408822479 528807239 /nfs/dbraw/zinc/80/72/39/528807239.db2.gz BXBQYTVPHWNCDS-UHFFFAOYSA-N 0 0 383.473 4.427 40 0 GIABRN CCOC(=O)CN1C(=O)S/C(=C/c2cn([C@H](C)CC)c3ccccc23)C1=O ZINC000409047117 528807182 /nfs/dbraw/zinc/80/71/82/528807182.db2.gz MTHWCVVLGYZPQV-VGSSETLESA-N 0 0 386.473 4.212 40 0 GIABRN CCCc1sc(NC(=O)c2cccnc2)nc1-c1cc(OC)ccc1OC ZINC000408827792 528807378 /nfs/dbraw/zinc/80/73/78/528807378.db2.gz MRRYLZZNBXNCNW-UHFFFAOYSA-N 0 0 383.473 4.427 40 0 GIABRN CCC[C@@H](C)NC(=O)C(=O)c1c(-c2ccc(OCC)cc2)cc2ccccn21 ZINC000408676985 528894142 /nfs/dbraw/zinc/89/41/42/528894142.db2.gz PGFUFFUPIHARMP-MRXNPFEDSA-N 0 0 378.472 4.493 40 0 GIABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2cc(C)ccc2C)ccc1OCC ZINC000408585290 529107815 /nfs/dbraw/zinc/10/78/15/529107815.db2.gz CQTOQNRGEUCRGW-UHFFFAOYSA-N 0 0 392.477 4.071 40 0 GIABRN CCc1cccc(C)c1NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000408547432 529158971 /nfs/dbraw/zinc/15/89/71/529158971.db2.gz JLCYJFQTDMZLLK-AWEZNQCLSA-N 0 0 394.924 4.004 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(OC)cc1 ZINC000409145033 529373993 /nfs/dbraw/zinc/37/39/93/529373993.db2.gz PSSUZMVYZHXVHW-OAHLLOKOSA-N 0 0 386.517 4.095 40 0 GIABRN CN(C)c1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(Cl)cc3)n2)cn1 ZINC000035426224 560080415 /nfs/dbraw/zinc/08/04/15/560080415.db2.gz PKGJWXMSRBZKSM-KRWDZBQOSA-N 0 0 383.883 4.188 40 0 biogenic,in-vitro GIABRN CNc1ccc(-c2noc([C@@H]3CCCN3Cc3cnc4ccccc4c3)n2)cn1 ZINC000035426093 560080629 /nfs/dbraw/zinc/08/06/29/560080629.db2.gz LPOMQQGMOVSQNO-IBGZPJMESA-N 0 0 386.459 4.059 40 0 biogenic,in-vitro GIABRN CC1=C[C@@H](CNC(=O)c2ccco2)[C@H](C(C)C)C[C@H]1CC(=O)NC1CCCC1 ZINC000030880229 560089863 /nfs/dbraw/zinc/08/98/63/560089863.db2.gz OLQWYJJBUJQEHD-BJLQDIEVSA-N 0 0 386.536 4.313 40 0 biogenic,in-vitro GIABRN CC1=C[C@@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 ZINC000030881557 560089870 /nfs/dbraw/zinc/08/98/70/560089870.db2.gz PZFREAYIEWBBRP-FKBYEOEOSA-N 0 0 382.548 4.284 40 0 biogenic,in-vitro GIABRN O=C(c1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(C3CCCCC3)c12 ZINC000005434160 560202019 /nfs/dbraw/zinc/20/20/19/560202019.db2.gz FQXGGEGCBXLPNL-FXAWDEMLSA-N 0 0 376.500 4.156 40 0 biogenic,in-vitro GIABRN Cc1nccn1[C@H](C(=O)NCc1cccc(N2CCCCC2)c1)c1ccccc1 ZINC000019718831 570209901 /nfs/dbraw/zinc/20/99/01/570209901.db2.gz UWHBDEDFJARLCQ-QHCPKHFHSA-N 0 0 388.515 4.088 40 0 GIABRN CC(C)Nc1n[nH]c2nc([C@H]3CCCN(C(=O)C(C)C)C3)cc(C(F)(F)F)c12 ZINC000019742328 570212872 /nfs/dbraw/zinc/21/28/72/570212872.db2.gz PELVACKXEUICNS-LBPRGKRZSA-N 0 0 397.445 4.159 40 0 GIABRN Cc1nn(-c2ccccn2)c2nc(C3CCN(C(=O)c4ccccc4)CC3)ccc12 ZINC000019744690 570213122 /nfs/dbraw/zinc/21/31/22/570213122.db2.gz YIVRMPBUEDAOCL-UHFFFAOYSA-N 0 0 397.482 4.144 40 0 GIABRN CC(C)c1nnc(NC(=O)CC2CCN(C(=O)CC3CCCCC3)CC2)s1 ZINC000019748747 570214747 /nfs/dbraw/zinc/21/47/47/570214747.db2.gz ADHUOOJPXOXVPL-UHFFFAOYSA-N 0 0 392.569 4.199 40 0 GIABRN CC[C@H](Oc1ccc(C)cc1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 ZINC000096237524 570221638 /nfs/dbraw/zinc/22/16/38/570221638.db2.gz YXZTUAKWIUSOQV-INIZCTEOSA-N 0 0 385.489 4.313 40 0 GIABRN Cc1cnc(Nc2cc(C)nc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)s1 ZINC000585262722 570230216 /nfs/dbraw/zinc/23/02/16/570230216.db2.gz YHLQKSVEDIOURX-UHFFFAOYSA-N 0 0 389.525 4.408 40 0 GIABRN CCn1c(Cc2ccccc2)nnc1SCc1nnc(-c2ccc(F)cc2)o1 ZINC000019929055 570230393 /nfs/dbraw/zinc/23/03/93/570230393.db2.gz BPHDYXMVGZYVPY-UHFFFAOYSA-N 0 0 395.463 4.370 40 0 GIABRN CCc1cccc(CC)c1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl ZINC000019933573 570231128 /nfs/dbraw/zinc/23/11/28/570231128.db2.gz KOTRFJOYVSRLIW-UHFFFAOYSA-N 0 0 380.897 4.089 40 0 GIABRN COC(=O)c1c(C)nc2ccn(-c3ccc(F)cc3)c(=O)c2c1-c1ccccc1 ZINC000019962814 570233863 /nfs/dbraw/zinc/23/38/63/570233863.db2.gz TVESZJKTGJKSMP-UHFFFAOYSA-N 0 0 388.398 4.287 40 0 GIABRN CCOc1ccc(CNC(=O)[C@H](C)Sc2ccc(OC)cc2)cc1OCC ZINC000020107244 570239996 /nfs/dbraw/zinc/23/99/96/570239996.db2.gz URLMUXRZAXXJGH-HNNXBMFYSA-N 0 0 389.517 4.290 40 0 GIABRN O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cccs1 ZINC000020152366 570244724 /nfs/dbraw/zinc/24/47/24/570244724.db2.gz VWZFYNBAPBGNPE-UHFFFAOYSA-N 0 0 392.889 4.281 40 0 GIABRN O=C(NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cccs1 ZINC000020152358 570244933 /nfs/dbraw/zinc/24/49/33/570244933.db2.gz ZRJFRWNDHLHQRT-UHFFFAOYSA-N 0 0 392.889 4.281 40 0 GIABRN O=C(CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1)Nc1ccccc1 ZINC000005341842 570253237 /nfs/dbraw/zinc/25/32/37/570253237.db2.gz FHFBPLPSTLMVAQ-PUHATCMVSA-N 0 0 382.479 4.133 40 0 GIABRN CC[C@H](Oc1cccc(C)c1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000020450852 570256943 /nfs/dbraw/zinc/25/69/43/570256943.db2.gz OEZJTSIOSBPXQV-NRFANRHFSA-N 0 0 386.923 4.463 40 0 GIABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000020482905 570261705 /nfs/dbraw/zinc/26/17/05/570261705.db2.gz MSCJBFHJPLZKMQ-QGZVFWFLSA-N 0 0 394.496 4.287 40 0 GIABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(CN2CCOCC2)c1 ZINC000020483915 570262085 /nfs/dbraw/zinc/26/20/85/570262085.db2.gz YQVWBSFJTKGGMO-UHFFFAOYSA-N 0 0 398.812 4.443 40 0 GIABRN C[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)C1 ZINC000020487818 570262435 /nfs/dbraw/zinc/26/24/35/570262435.db2.gz RCGFYVQMAWBWKQ-CQSZACIVSA-N 0 0 392.908 4.013 40 0 GIABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020495245 570264265 /nfs/dbraw/zinc/26/42/65/570264265.db2.gz CHZOZBGHFMPZPF-NRFANRHFSA-N 0 0 386.923 4.463 40 0 GIABRN O=C(CSc1ccccc1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000020610373 570272199 /nfs/dbraw/zinc/27/21/99/570272199.db2.gz WYUAQYCQYYQTKR-UHFFFAOYSA-N 0 0 378.432 4.290 40 0 GIABRN CCCCN1c2nc3ccccc3n2[C@@H](c2cccs2)[C@H](C(=O)OCC)C1=O ZINC000020638260 570273852 /nfs/dbraw/zinc/27/38/52/570273852.db2.gz PHISWMAAZANMPA-ROUUACIJSA-N 0 0 397.500 4.013 40 0 GIABRN Cc1ccc(Cc2c(C)nc(Nc3nc(C)c4cc(C)ccc4n3)[nH]c2=O)cc1 ZINC000020673287 570274743 /nfs/dbraw/zinc/27/47/43/570274743.db2.gz HGNBXLHYHHIKFH-UHFFFAOYSA-N 0 0 385.471 4.281 40 0 GIABRN Cc1nc(C)n([C@H](C)Cc2cc(=O)n3nc(-c4ccc5ccccc5c4)cc3[nH]2)n1 ZINC000100776261 570277824 /nfs/dbraw/zinc/27/78/24/570277824.db2.gz FQLSYSBXFSFMMX-CQSZACIVSA-N 0 0 398.470 4.267 40 0 GIABRN CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(Br)cc2)CC1 ZINC000100809767 570278237 /nfs/dbraw/zinc/27/82/37/570278237.db2.gz JKEOAWXTACJOQV-GASCZTMLSA-N 0 0 397.313 4.015 40 0 GIABRN COc1ccc([C@H]2NC(=S)N(C)C(C)=C2C(=S)Nc2ccccc2)cc1 ZINC000100857974 570278632 /nfs/dbraw/zinc/27/86/32/570278632.db2.gz QDVIZXBWRULTFU-GOSISDBHSA-N 0 0 383.542 4.270 40 0 GIABRN Cc1cccc2cc(CN(Cc3ccccc3)C(=O)c3cccnc3)c(=O)[nH]c12 ZINC000021596533 570293107 /nfs/dbraw/zinc/29/31/07/570293107.db2.gz WLXDYRXOLMHWBW-UHFFFAOYSA-N 0 0 383.451 4.074 40 0 GIABRN COc1ccc(C(=O)CSc2nnc(COc3ccc(C)c(C)c3)o2)cc1 ZINC000216026832 570294684 /nfs/dbraw/zinc/29/46/84/570294684.db2.gz GSFHJECYTJJLSK-UHFFFAOYSA-N 0 0 384.457 4.249 40 0 GIABRN Cc1cccc(NC(=O)CSc2nnc(COc3ccc(C)c(C)c3)o2)c1 ZINC000216031894 570295043 /nfs/dbraw/zinc/29/50/43/570295043.db2.gz DFBFHTRWDWRDPK-UHFFFAOYSA-N 0 0 383.473 4.305 40 0 GIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)NCCSCc1ccccc1F ZINC000216290264 570298618 /nfs/dbraw/zinc/29/86/18/570298618.db2.gz FLFQCBDTBWEHBZ-IBGZPJMESA-N 0 0 377.481 4.041 40 0 GIABRN COc1cccc(C(=O)Nc2nnc(SCc3ccccc3)s2)c1OC ZINC000021954087 570299911 /nfs/dbraw/zinc/29/99/11/570299911.db2.gz KNHDSAURLCBNQT-UHFFFAOYSA-N 0 0 387.486 4.100 40 0 GIABRN COc1ccc(CN(C)C(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC ZINC000216384703 570300630 /nfs/dbraw/zinc/30/06/30/570300630.db2.gz KOEWLAQTWCZXNR-OAHLLOKOSA-N 0 0 391.895 4.400 40 0 GIABRN Cc1nc(-c2ccc(Br)cc2)n(O)c1C(=O)OCc1ccccc1 ZINC000575410882 570302372 /nfs/dbraw/zinc/30/23/72/570302372.db2.gz ISSWCPBYJGNYEC-UHFFFAOYSA-N 0 0 387.233 4.215 40 0 GIABRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(C)c2)CC1 ZINC000021577981 570304919 /nfs/dbraw/zinc/30/49/19/570304919.db2.gz WZUWPOSIOCJILP-UHFFFAOYSA-N 0 0 399.922 4.349 40 0 GIABRN Cc1c(C)c(-n2nc3ccc(N)c(Br)c3n2)ccc1Br ZINC000575415138 570305623 /nfs/dbraw/zinc/30/56/23/570305623.db2.gz TUBXORWKQNQVHL-UHFFFAOYSA-N 0 0 396.086 4.145 40 0 GIABRN CCOc1cc2nn(-c3ccc(C(C)(C)C)cc3)nc2c(Br)c1N ZINC000575415016 570305884 /nfs/dbraw/zinc/30/58/84/570305884.db2.gz INYRUOHRBFDECC-UHFFFAOYSA-N 0 0 389.297 4.461 40 0 GIABRN CCn1cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(=O)c2ccccc21 ZINC000022234589 570308818 /nfs/dbraw/zinc/30/88/18/570308818.db2.gz WQZIGVJUZIRACR-UHFFFAOYSA-N 0 0 378.325 4.432 40 0 GIABRN CCn1cc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)c2cc(Cl)ccc21 ZINC000022235036 570309182 /nfs/dbraw/zinc/30/91/82/570309182.db2.gz JSMVNYYLOULGTK-IBGZPJMESA-N 0 0 380.875 4.482 40 0 GIABRN Cc1nc(-c2cccnc2)sc1C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000022237587 570309621 /nfs/dbraw/zinc/30/96/21/570309621.db2.gz UQAGNONHTXPZTH-UHFFFAOYSA-N 0 0 392.528 4.093 40 0 GIABRN CC1(C)C[C@]1(NC(=O)Nc1cccc(N2C(=O)CCCC2=O)c1)c1ccccc1 ZINC000666964465 570311535 /nfs/dbraw/zinc/31/15/35/570311535.db2.gz FMGBCLVTOLJVIQ-QHCPKHFHSA-N 0 0 391.471 4.177 40 0 GIABRN C[C@H]1C=CC[C@@H]2C(=O)N(c3ccc(Cl)cc3C(=O)c3ccccc3)C(=O)[C@@H]21 ZINC000102074034 570312559 /nfs/dbraw/zinc/31/25/59/570312559.db2.gz MILHJPVJLGNWJU-IYJAJMOOSA-N 0 0 379.843 4.273 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(NC3CCCC3)nc2)cc1 ZINC000072213967 570314267 /nfs/dbraw/zinc/31/42/67/570314267.db2.gz ATJMIUGPNQFLHN-HXUWFJFHSA-N 0 0 385.533 4.270 40 0 GIABRN CC(C)(C)OC(=O)NCCCCC(=O)c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214358 570314623 /nfs/dbraw/zinc/31/46/23/570314623.db2.gz LRADAKDGZWGUIO-UHFFFAOYSA-N 0 0 393.484 4.306 40 0 GIABRN CCSc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000072217160 570317789 /nfs/dbraw/zinc/31/77/89/570317789.db2.gz PGSFVWHTCULXQF-GOSISDBHSA-N 0 0 376.547 4.418 40 0 GIABRN N[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000072227546 570318934 /nfs/dbraw/zinc/31/89/34/570318934.db2.gz BYNCZRIQJCBJOY-UONOGXRCSA-N 0 0 375.177 4.427 40 0 GIABRN CCOc1ccc2c(c1)c(=O)c(C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)cn2C ZINC000022606085 570322608 /nfs/dbraw/zinc/32/26/08/570322608.db2.gz QBRDDGDTCHQQEG-KRWDZBQOSA-N 0 0 392.499 4.353 40 0 GIABRN CCc1ccccc1NC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O ZINC000113962661 570337048 /nfs/dbraw/zinc/33/70/48/570337048.db2.gz XNWCYXKHIYQKJQ-UHFFFAOYSA-N 0 0 388.533 4.051 40 0 GIABRN S=C(NCc1ccc2c(c1)OCO2)c1ccccc1OCc1ccccc1 ZINC000408573215 570340489 /nfs/dbraw/zinc/34/04/89/570340489.db2.gz JDEQRRKFDWSTTM-UHFFFAOYSA-N 0 0 377.465 4.460 40 0 GIABRN Cc1cc(OCC(=O)NCCSCc2ccccc2)ccc1Br ZINC000218821327 570341425 /nfs/dbraw/zinc/34/14/25/570341425.db2.gz FPPZZRSNVDIAEJ-UHFFFAOYSA-N 0 0 394.334 4.186 40 0 GIABRN O=C(COc1ccc(Br)cc1)NCCCc1ccccc1Cl ZINC000218815683 570341469 /nfs/dbraw/zinc/34/14/69/570341469.db2.gz XGFNCFFBTMFWLK-UHFFFAOYSA-N 0 0 382.685 4.230 40 0 GIABRN CCc1ccc(OCC(=O)NCCSCc2ccco2)c(Br)c1 ZINC000218861500 570342477 /nfs/dbraw/zinc/34/24/77/570342477.db2.gz KLOUXRPFIGAWRW-UHFFFAOYSA-N 0 0 398.322 4.033 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 ZINC000218923423 570343956 /nfs/dbraw/zinc/34/39/56/570343956.db2.gz FHOAUSRCDFPKKG-UHFFFAOYSA-N 0 0 375.852 4.459 40 0 GIABRN COc1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)c(OC)c1 ZINC000022397933 570344265 /nfs/dbraw/zinc/34/42/65/570344265.db2.gz BKRUUDSYCZQIKY-UHFFFAOYSA-N 0 0 391.514 4.200 40 0 GIABRN O=C(COc1ccc(Br)cc1)Nc1cccc(Br)c1 ZINC000003514825 570347770 /nfs/dbraw/zinc/34/77/70/570347770.db2.gz RAOVSEYHAPCDEB-UHFFFAOYSA-N 0 0 385.055 4.229 40 0 GIABRN Cc1cc(NC(=O)COC(=O)c2ccccc2Cl)ccc1Br ZINC000003507311 570347875 /nfs/dbraw/zinc/34/78/75/570347875.db2.gz TZVTZCRYPBZOSW-UHFFFAOYSA-N 0 0 382.641 4.206 40 0 GIABRN Cc1cc(Cl)cc2c1NC(=O)[C@@]2(O)[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000003589589 570348568 /nfs/dbraw/zinc/34/85/68/570348568.db2.gz JMXWDYGKEGMKQH-XXBNENTESA-N 0 0 391.854 4.455 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000219319408 570354492 /nfs/dbraw/zinc/35/44/92/570354492.db2.gz IWIGMXYDMQHVIH-LJQANCHMSA-N 0 0 379.460 4.169 40 0 GIABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000219323894 570354860 /nfs/dbraw/zinc/35/48/60/570354860.db2.gz PIGMHJJNMUUDJD-SFHVURJKSA-N 0 0 391.895 4.264 40 0 GIABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1nc(-c2cccc(C)c2)no1 ZINC000219333052 570355368 /nfs/dbraw/zinc/35/53/68/570355368.db2.gz VWPJYUAVFXAARP-IBGZPJMESA-N 0 0 379.460 4.136 40 0 GIABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219333946 570355396 /nfs/dbraw/zinc/35/53/96/570355396.db2.gz VAJUFHRIKZPBMT-SFHVURJKSA-N 0 0 399.878 4.481 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219371869 570357295 /nfs/dbraw/zinc/35/72/95/570357295.db2.gz ANDWJEHNVVWTIA-QGZVFWFLSA-N 0 0 399.878 4.481 40 0 GIABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000219382910 570357525 /nfs/dbraw/zinc/35/75/25/570357525.db2.gz IXBXIGBLOYUAQP-OAHLLOKOSA-N 0 0 385.489 4.231 40 0 GIABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000219381867 570357764 /nfs/dbraw/zinc/35/77/64/570357764.db2.gz NWKIOELYZWYISF-LJQANCHMSA-N 0 0 393.487 4.478 40 0 GIABRN CCC(=O)NC(=S)Nc1cccc2c(Cl)c(C(=O)NC(C)(C)C)sc21 ZINC000057316190 570361100 /nfs/dbraw/zinc/36/11/00/570361100.db2.gz ZAVHUDZENUCRIV-UHFFFAOYSA-N 0 0 397.953 4.306 40 0 GIABRN CCC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCCCCC1 ZINC000004230702 570363429 /nfs/dbraw/zinc/36/34/29/570363429.db2.gz KJSMSTZOZKFJKA-HXUWFJFHSA-N 0 0 378.524 4.332 40 0 GIABRN Cc1ccc(O[C@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1C ZINC000219521938 570365606 /nfs/dbraw/zinc/36/56/06/570365606.db2.gz DFTUALALGQHEPS-CQSZACIVSA-N 0 0 385.851 4.091 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(C)cc3C)n2)cc1 ZINC000219538068 570366318 /nfs/dbraw/zinc/36/63/18/570366318.db2.gz VPIABPUSPHOCGG-KRWDZBQOSA-N 0 0 379.460 4.088 40 0 GIABRN CCC[C@@H](c1nnnn1C1CCCC1)N1CCN(c2cccc(C)c2C)CC1 ZINC000057669565 570366830 /nfs/dbraw/zinc/36/68/30/570366830.db2.gz BNXVVCICDZOYHA-NRFANRHFSA-N 0 0 382.556 4.068 40 0 GIABRN CC[C@@H](Oc1ccccc1OC)C(=O)NCCCc1cccc(OC(C)C)c1 ZINC000219560944 570368195 /nfs/dbraw/zinc/36/81/95/570368195.db2.gz CMSJFZDNQYZXNZ-HXUWFJFHSA-N 0 0 385.504 4.389 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccccc2OC)cc1Cl ZINC000219563484 570368546 /nfs/dbraw/zinc/36/85/46/570368546.db2.gz FVVRPWRFHDEYJD-INIZCTEOSA-N 0 0 391.851 4.321 40 0 GIABRN C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@]1(O)CC[C@H]2c1ccc(=O)oc1 ZINC000118932186 570369110 /nfs/dbraw/zinc/36/91/10/570369110.db2.gz OVUOVMIMOCJILI-LRVKYJEZSA-N 0 0 384.516 4.162 40 0 GIABRN CC[C@H](Oc1ccccc1F)C(=O)NCc1ccc(OC(C)C)c(OC)c1 ZINC000219572571 570369404 /nfs/dbraw/zinc/36/94/04/570369404.db2.gz OQPAXFMDHLHCEZ-KRWDZBQOSA-N 0 0 375.440 4.095 40 0 GIABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000219600000 570370125 /nfs/dbraw/zinc/37/01/25/570370125.db2.gz XNOXWLWXTFSSCR-LJQANCHMSA-N 0 0 379.460 4.169 40 0 GIABRN Cc1cccnc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000408619861 570370438 /nfs/dbraw/zinc/37/04/38/570370438.db2.gz IBELAPDPVILJTM-UHFFFAOYSA-N 0 0 377.469 4.096 40 0 GIABRN COc1ccc(CCN2CCOc3nc4c(C)ccc(C)c4cc3C2)cc1OC ZINC000057718866 570370963 /nfs/dbraw/zinc/37/09/63/570370963.db2.gz YBWJAHPZTAYEPI-UHFFFAOYSA-N 0 0 392.499 4.306 40 0 GIABRN CCc1cccc2cc3c(nc21)OCCN(CCc1ccc(OC)c(OC)c1)C3 ZINC000057718968 570371333 /nfs/dbraw/zinc/37/13/33/570371333.db2.gz RYYIRPUEEDTENW-UHFFFAOYSA-N 0 0 392.499 4.252 40 0 GIABRN Cc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 ZINC000219682802 570372889 /nfs/dbraw/zinc/37/28/89/570372889.db2.gz KXFZURNKTWFQLO-HNNXBMFYSA-N 0 0 376.294 4.274 40 0 GIABRN CCOC(=O)N1CCN(CCCCOc2ccc(C(C)(C)CC)cc2)CC1 ZINC000004429324 570375125 /nfs/dbraw/zinc/37/51/25/570375125.db2.gz PSAAJZQVMDDRNO-UHFFFAOYSA-N 0 0 376.541 4.307 40 0 GIABRN CCCC[C@@H](CC)C(=O)O[C@H](C)CNC(=O)[C@@H](C)OC(=O)[C@@H](CC)CCCC ZINC000004428350 570375159 /nfs/dbraw/zinc/37/51/59/570375159.db2.gz BUFBUWAALXANIF-MKXGPGLRSA-N 0 0 399.572 4.399 40 0 GIABRN COc1cc2sc(NC(=S)NC(=O)Cc3ccccc3)nc2cc1Cl ZINC000408625986 570377456 /nfs/dbraw/zinc/37/74/56/570377456.db2.gz GIHXIKYPSKBJBU-UHFFFAOYSA-N 0 0 391.905 4.014 40 0 GIABRN CCCCCC(=O)NC(=S)Nc1cc2nn(-c3ccc(F)cc3)nc2cc1C ZINC000408626795 570379023 /nfs/dbraw/zinc/37/90/23/570379023.db2.gz IIOWCNSGGSNVBL-UHFFFAOYSA-N 0 0 399.495 4.261 40 0 GIABRN CCc1ccc(N([C@H](C)C(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)cc1 ZINC000220269543 570384306 /nfs/dbraw/zinc/38/43/06/570384306.db2.gz ONRMTAJEXIWOIK-CQSZACIVSA-N 0 0 394.924 4.004 40 0 GIABRN CCc1ccccc1NC(=O)[C@H](C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000220352145 570385480 /nfs/dbraw/zinc/38/54/80/570385480.db2.gz PRRLTYGRUJCSQZ-AWEZNQCLSA-N 0 0 394.924 4.004 40 0 GIABRN CCc1ccc(NC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000220356102 570385638 /nfs/dbraw/zinc/38/56/38/570385638.db2.gz BIVOUSIKJJIJBQ-CQSZACIVSA-N 0 0 394.924 4.004 40 0 GIABRN CC[C@@H](C(=O)Nc1cc(Cl)ccc1C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220502682 570387318 /nfs/dbraw/zinc/38/73/18/570387318.db2.gz HXFOVANCJYJZBZ-SFHVURJKSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@@H](C(=O)Nc1ccc(C)cc1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220557818 570388447 /nfs/dbraw/zinc/38/84/47/570388447.db2.gz LIDPZNPHQAUOBT-FQEVSTJZSA-N 0 0 388.533 4.104 40 0 GIABRN COc1cccc(NC(=O)c2sc3nc(C(F)(F)F)cc(C)c3c2N)c1 ZINC000032117802 570389526 /nfs/dbraw/zinc/38/95/26/570389526.db2.gz VBYFEGOOWXXDBM-UHFFFAOYSA-N 0 0 381.379 4.467 40 0 GIABRN CCn1cc(-c2nnc(SCc3ccc(Br)cc3)n2CC)cn1 ZINC000032604034 570393105 /nfs/dbraw/zinc/39/31/05/570393105.db2.gz ULNMKRFBTZTNJN-UHFFFAOYSA-N 0 0 392.326 4.236 40 0 GIABRN CCSc1ccccc1NC(=O)c1ccc(N(CC)S(=O)(=O)CC)cc1 ZINC000222402230 570409894 /nfs/dbraw/zinc/40/98/94/570409894.db2.gz GVTDEVILPZNAKB-UHFFFAOYSA-N 0 0 392.546 4.227 40 0 GIABRN C[C@@H](NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1)c1ccccc1 ZINC000004839369 570410393 /nfs/dbraw/zinc/41/03/93/570410393.db2.gz RLAWECAZPMPNFS-MURKYSCBSA-N 0 0 376.481 4.396 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 ZINC000222456184 570411162 /nfs/dbraw/zinc/41/11/62/570411162.db2.gz IEGDXSJEDDXMHL-NRFANRHFSA-N 0 0 384.495 4.009 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222488534 570412409 /nfs/dbraw/zinc/41/24/09/570412409.db2.gz QOPGVBLBDMZPLT-AWEZNQCLSA-N 0 0 393.314 4.008 40 0 GIABRN CC(C)c1ccc(OCC(=O)Nc2nnc(-c3ccc4c(c3)OCO4)s2)cc1 ZINC000000897737 570412957 /nfs/dbraw/zinc/41/29/57/570412957.db2.gz IZDXGTBTYRSLJU-UHFFFAOYSA-N 0 0 397.456 4.075 40 0 GIABRN CCSc1ccccc1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl ZINC000222504446 570413005 /nfs/dbraw/zinc/41/30/05/570413005.db2.gz CHEKMXGOTCEFSF-UHFFFAOYSA-N 0 0 398.937 4.100 40 0 GIABRN CCn1c(Cl)nc2cc(C(=O)NCCC(=O)Nc3cc(C)ccc3C)ccc21 ZINC000222550395 570414291 /nfs/dbraw/zinc/41/42/91/570414291.db2.gz RVZNOTQLDYJKML-UHFFFAOYSA-N 0 0 398.894 4.085 40 0 GIABRN O=C1S/C(=C/c2cccnc2)C(=O)N1Cc1ccccc1Br ZINC000006971824 570415352 /nfs/dbraw/zinc/41/53/52/570415352.db2.gz FFWOXHAXEKGZFH-RIYZIHGNSA-N 0 0 375.247 4.081 40 0 GIABRN COC(=O)c1cn(S(=O)(=O)Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000222609162 570416705 /nfs/dbraw/zinc/41/67/05/570416705.db2.gz SXDKDHQRNJVWGJ-UHFFFAOYSA-N 0 0 398.267 4.113 40 0 GIABRN COc1ccc([C@H](CC(C)C)NC(=O)CCc2ccc3c(c2)OCCO3)cc1 ZINC000222643779 570418197 /nfs/dbraw/zinc/41/81/97/570418197.db2.gz HFTUOMIYIWWQLP-FQEVSTJZSA-N 0 0 383.488 4.303 40 0 GIABRN CCOc1cc2c(cc1[C@@H]1[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N31)OCO2 ZINC000222650658 570418663 /nfs/dbraw/zinc/41/86/63/570418663.db2.gz IURPESXPDIBJPM-SMHULIPUSA-N 0 0 397.500 4.188 40 0 GIABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(Cl)c(O)c(OC)c3)N21 ZINC000222656999 570418987 /nfs/dbraw/zinc/41/89/87/570418987.db2.gz YQLIDUXUGISXPR-AFAVFJNCSA-N 0 0 389.908 4.429 40 0 GIABRN CC[C@H](NC(=O)COc1ccc(Br)cc1)c1ccc(OC)c(C)c1 ZINC000222658547 570419230 /nfs/dbraw/zinc/41/92/30/570419230.db2.gz MIVAWTHWFHSZMS-KRWDZBQOSA-N 0 0 392.293 4.412 40 0 GIABRN CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)ccc1OC ZINC000222660746 570419275 /nfs/dbraw/zinc/41/92/75/570419275.db2.gz MLWLBRJNQJIOPL-YSGRDPCXSA-N 0 0 383.517 4.468 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(OC)c(O)cc3Cl)N21 ZINC000222673667 570419952 /nfs/dbraw/zinc/41/99/52/570419952.db2.gz JWGPBXLWGXVPOW-CNOZUTPLSA-N 0 0 389.908 4.429 40 0 GIABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000222692795 570421060 /nfs/dbraw/zinc/42/10/60/570421060.db2.gz IBWYLIMAPMSDDE-JKSUJKDBSA-N 0 0 383.488 4.400 40 0 GIABRN CCOc1ccccc1NC(=O)Nc1cc(C)cn(Cc2ccc(F)cc2)c1=O ZINC000005000864 570421626 /nfs/dbraw/zinc/42/16/26/570421626.db2.gz NWFSFVYCTKMPAR-UHFFFAOYSA-N 0 0 395.434 4.387 40 0 GIABRN CC(=O)c1ccc(NC(=O)CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000004966681 570421647 /nfs/dbraw/zinc/42/16/47/570421647.db2.gz MOMMEAGCYBMPGZ-UHFFFAOYSA-N 0 0 398.890 4.076 40 0 GIABRN C[C@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccc2c(c1)OCCO2 ZINC000222738921 570423208 /nfs/dbraw/zinc/42/32/08/570423208.db2.gz SDYWCHNIAGKOQW-LBPRGKRZSA-N 0 0 395.883 4.361 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222746598 570423701 /nfs/dbraw/zinc/42/37/01/570423701.db2.gz QMNJOHJJDLANTR-KRWDZBQOSA-N 0 0 384.495 4.009 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222748073 570423915 /nfs/dbraw/zinc/42/39/15/570423915.db2.gz XQXBPRHDUDXAIH-KRWDZBQOSA-N 0 0 384.495 4.009 40 0 GIABRN Cc1ccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)cc1 ZINC000222772334 570424917 /nfs/dbraw/zinc/42/49/17/570424917.db2.gz GCFAXPZBCZLTIG-STZFKDTASA-N 0 0 390.508 4.452 40 0 GIABRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccco2)c1C ZINC000222775117 570425247 /nfs/dbraw/zinc/42/52/47/570425247.db2.gz CCHGVDUGAHCZSM-UXHICEINSA-N 0 0 380.517 4.134 40 0 GIABRN Cc1ccc(CN(C(=O)COc2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222781172 570425591 /nfs/dbraw/zinc/42/55/91/570425591.db2.gz XIAHMPQELIEWSQ-LJQANCHMSA-N 0 0 396.531 4.014 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222784039 570425910 /nfs/dbraw/zinc/42/59/10/570425910.db2.gz VIDTZKATKXVFPA-KRWDZBQOSA-N 0 0 384.495 4.009 40 0 GIABRN CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC)cc1 ZINC000222798196 570426274 /nfs/dbraw/zinc/42/62/74/570426274.db2.gz WZPLLBSSORUPQZ-NHCUHLMSSA-N 0 0 392.528 4.263 40 0 GIABRN CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC)cc1 ZINC000222798263 570426399 /nfs/dbraw/zinc/42/63/99/570426399.db2.gz WZPLLBSSORUPQZ-RTWAWAEBSA-N 0 0 392.528 4.263 40 0 GIABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)c(C)c1 ZINC000222799664 570426555 /nfs/dbraw/zinc/42/65/55/570426555.db2.gz CMVNWZUOGGLYCH-LEWJYISDSA-N 0 0 376.529 4.482 40 0 GIABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Br)s1 ZINC000222814400 570427339 /nfs/dbraw/zinc/42/73/39/570427339.db2.gz VCEGRQBPLDHFSP-UONOGXRCSA-N 0 0 382.352 4.287 40 0 GIABRN CSc1nnc(NC(=O)CSCc2ccc(Cl)cc2Cl)s1 ZINC000222859462 570429383 /nfs/dbraw/zinc/42/93/83/570429383.db2.gz ZBOOQORQFUQZBP-UHFFFAOYSA-N 0 0 380.347 4.439 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000005184743 570430974 /nfs/dbraw/zinc/43/09/74/570430974.db2.gz JHGYFLLROASCPY-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000222929311 570431772 /nfs/dbraw/zinc/43/17/72/570431772.db2.gz JRRSCZXUNKLSDL-HSZRJFAPSA-N 0 0 394.559 4.302 40 0 GIABRN COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 ZINC000007928126 570432833 /nfs/dbraw/zinc/43/28/33/570432833.db2.gz VODCPMFGAIXGEG-LBPRGKRZSA-N 0 0 393.270 4.302 40 0 GIABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 ZINC000222950166 570432902 /nfs/dbraw/zinc/43/29/02/570432902.db2.gz AMTMWFDDZHIIOM-WOJBJXKFSA-N 0 0 377.517 4.040 40 0 GIABRN CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1C ZINC000222956971 570433223 /nfs/dbraw/zinc/43/32/23/570433223.db2.gz KFFNGRSDESGRSX-INIZCTEOSA-N 0 0 381.472 4.457 40 0 GIABRN CC(C)CNC(=O)c1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1 ZINC000027377500 570433790 /nfs/dbraw/zinc/43/37/90/570433790.db2.gz OLRXBYMFPGIWBO-UHFFFAOYSA-N 0 0 394.393 4.109 40 0 GIABRN CCOC(=O)c1nc2sc3c(c2c(Nc2ccc(OC)cc2)n1)CCCC3 ZINC000005332682 570434266 /nfs/dbraw/zinc/43/42/66/570434266.db2.gz BLAXLWLACVCTSG-UHFFFAOYSA-N 0 0 383.473 4.499 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1 ZINC000222979005 570434677 /nfs/dbraw/zinc/43/46/77/570434677.db2.gz TXDIVWIPUSXSJT-FQEVSTJZSA-N 0 0 396.531 4.016 40 0 GIABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 ZINC000222980068 570434963 /nfs/dbraw/zinc/43/49/63/570434963.db2.gz IFIPHFWHJIYYIH-SFTDATJTSA-N 0 0 391.544 4.099 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000005348135 570434960 /nfs/dbraw/zinc/43/49/60/570434960.db2.gz IGPKQJSRJGKBRV-UHFFFAOYSA-N 0 0 383.469 4.099 40 0 GIABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000223002544 570436650 /nfs/dbraw/zinc/43/66/50/570436650.db2.gz JNXCLDHVKJKNOH-SFHVURJKSA-N 0 0 399.878 4.481 40 0 GIABRN CCOc1ccc(Cl)cc1S(=O)(=O)NCc1cccc2ccccc21 ZINC000223003306 570436720 /nfs/dbraw/zinc/43/67/20/570436720.db2.gz JXJOQAPENXHFCA-UHFFFAOYSA-N 0 0 375.877 4.370 40 0 GIABRN CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](CC)C(=O)NC)cc1 ZINC000223004909 570437056 /nfs/dbraw/zinc/43/70/56/570437056.db2.gz HGJCAGNRSYSJDM-QFIPXVFZSA-N 0 0 380.532 4.043 40 0 GIABRN CCCCC[C@@H]1O[C@H]1C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO ZINC000027646631 570438051 /nfs/dbraw/zinc/43/80/51/570438051.db2.gz LPMVKZXODWQHGJ-YFLWJWRLSA-N 0 0 394.552 4.240 40 0 endogenous,in-man GIABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000223025978 570438304 /nfs/dbraw/zinc/43/83/04/570438304.db2.gz ZNVSHRBJUYNNOQ-UXHICEINSA-N 0 0 397.475 4.100 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 ZINC000223044006 570439380 /nfs/dbraw/zinc/43/93/80/570439380.db2.gz LXMIFELYZJWUPP-OAQYLSRUSA-N 0 0 394.559 4.488 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1C ZINC000223043801 570439567 /nfs/dbraw/zinc/43/95/67/570439567.db2.gz OWUMPQVYMVFHRJ-FQEVSTJZSA-N 0 0 380.532 4.180 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 ZINC000223062353 570441216 /nfs/dbraw/zinc/44/12/16/570441216.db2.gz FPZOXAFVHXYCSZ-FQEVSTJZSA-N 0 0 384.545 4.031 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C)cc1 ZINC000223116230 570444231 /nfs/dbraw/zinc/44/42/31/570444231.db2.gz LSZBRPKWDMTWML-RTBURBONSA-N 0 0 398.522 4.399 40 0 GIABRN CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)ccc21 ZINC000223110771 570444255 /nfs/dbraw/zinc/44/42/55/570444255.db2.gz VVHBJWIYUAQDEI-UHFFFAOYSA-N 0 0 399.299 4.093 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(C)c(C)c1 ZINC000223120443 570444637 /nfs/dbraw/zinc/44/46/37/570444637.db2.gz LFBNUYQLQXNIRX-RBUKOAKNSA-N 0 0 398.522 4.317 40 0 GIABRN CCc1cccc2c(/C=C3\NC(=S)N(CC)C3=O)cn(Cc3ccccc3)c21 ZINC000039556614 570445265 /nfs/dbraw/zinc/44/52/65/570445265.db2.gz IXOJCMNMSWMFEX-MOSHPQCFSA-N 0 0 389.524 4.330 40 0 GIABRN COc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)cc2)c1 ZINC000223129265 570445603 /nfs/dbraw/zinc/44/56/03/570445603.db2.gz FCJXXYQYGUNAQW-ZHZULCJRSA-N 0 0 376.412 4.006 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223136556 570446064 /nfs/dbraw/zinc/44/60/64/570446064.db2.gz VQKOPZWBXBUFAQ-NRFANRHFSA-N 0 0 380.532 4.341 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1C ZINC000223141282 570446311 /nfs/dbraw/zinc/44/63/11/570446311.db2.gz XPZCDMIMHCOWLP-ZWKOTPCHSA-N 0 0 384.495 4.009 40 0 GIABRN CCOC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 ZINC000039768200 570446468 /nfs/dbraw/zinc/44/64/68/570446468.db2.gz CREWUYBGIRYFSM-UHFFFAOYSA-N 0 0 398.444 4.034 40 0 GIABRN C[C@@H](NC(=O)c1ccccc1I)c1ccc2c(c1)CCC2 ZINC000223158290 570447349 /nfs/dbraw/zinc/44/73/49/570447349.db2.gz PAMJFCVHJOQTDY-GFCCVEGCSA-N 0 0 391.252 4.271 40 0 GIABRN COc1ccc(OC)c(NC(=O)COc2ccc(C3SCCS3)cc2)c1 ZINC000005584272 570447791 /nfs/dbraw/zinc/44/77/91/570447791.db2.gz UHNWIYWBMKNSQI-UHFFFAOYSA-N 0 0 391.514 4.200 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000223170238 570448173 /nfs/dbraw/zinc/44/81/73/570448173.db2.gz RFXCPFBDGMQHMH-OAQYLSRUSA-N 0 0 380.532 4.260 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 ZINC000223189470 570448604 /nfs/dbraw/zinc/44/86/04/570448604.db2.gz GPMWRCQAMQZKQE-CYBMUJFWSA-N 0 0 387.863 4.411 40 0 GIABRN COc1cc(CNC(=O)[C@H](C)Oc2cccc3c2CCCC3)ccc1OC(C)C ZINC000223192696 570449101 /nfs/dbraw/zinc/44/91/01/570449101.db2.gz NFUKXSXULYBOBB-KRWDZBQOSA-N 0 0 397.515 4.445 40 0 GIABRN CCN1CCN(c2ccc(NC(=O)c3cccc(C)c3OC)cc2Cl)CC1 ZINC000005644274 570449852 /nfs/dbraw/zinc/44/98/52/570449852.db2.gz PXPABQUQQQAOQQ-UHFFFAOYSA-N 0 0 387.911 4.051 40 0 GIABRN C[C@H]1S[C@@]2(C(=O)Nc3ccc(Cl)cc32)N(c2ccc(Cl)cc2)C1=O ZINC000005760076 570456076 /nfs/dbraw/zinc/45/60/76/570456076.db2.gz LFRJZJZRKNOYKS-XLFHBGCDSA-N 0 0 379.268 4.267 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000223304960 570456987 /nfs/dbraw/zinc/45/69/87/570456987.db2.gz WSWGXBBLHUTPQI-OAHLLOKOSA-N 0 0 377.506 4.175 40 0 GIABRN CC(C)COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)N(C)C)no2)cc1 ZINC000028296153 570457682 /nfs/dbraw/zinc/45/76/82/570457682.db2.gz GXAMKQUGPZILPI-IBGZPJMESA-N 0 0 397.475 4.002 40 0 GIABRN O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000223341863 570459955 /nfs/dbraw/zinc/45/99/55/570459955.db2.gz UBJKVHXQMIKIFQ-UHFFFAOYSA-N 0 0 392.499 4.209 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000223342455 570459977 /nfs/dbraw/zinc/45/99/77/570459977.db2.gz NLICXUHNQHONLA-HSZRJFAPSA-N 0 0 389.499 4.225 40 0 GIABRN CCCc1nc2ccccc2c(SCC(=O)Nc2ccc(OC)cc2OC)n1 ZINC000035291559 570460268 /nfs/dbraw/zinc/46/02/68/570460268.db2.gz FMFBZXGRTQPPHQ-UHFFFAOYSA-N 0 0 397.500 4.330 40 0 GIABRN CCOC(=O)N[C@@H](C(Cl)(Cl)Cl)P(=O)(OC(C)C)OC(C)C ZINC000005952854 570462918 /nfs/dbraw/zinc/46/29/18/570462918.db2.gz VRLPTANBHYYTBN-SECBINFHSA-N 0 0 384.624 4.472 40 0 GIABRN Cc1cc2ccccc2nc1SCC(=O)Nc1ccccc1N1CCOCC1 ZINC000035310697 570465237 /nfs/dbraw/zinc/46/52/37/570465237.db2.gz GQPCIENSCXZBRC-UHFFFAOYSA-N 0 0 393.512 4.111 40 0 GIABRN CCCNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000223420887 570465364 /nfs/dbraw/zinc/46/53/64/570465364.db2.gz BXONGYVKFDMTLW-UHFFFAOYSA-N 0 0 390.505 4.183 40 0 GIABRN O=C(Nc1ccccc1-c1ccccc1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000035311664 570467210 /nfs/dbraw/zinc/46/72/10/570467210.db2.gz ALZURDLNRXEGPN-MJGOQNOKSA-N 0 0 385.467 4.167 40 0 GIABRN CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1 ZINC000223524713 570469461 /nfs/dbraw/zinc/46/94/61/570469461.db2.gz PWZJIAHZGVNVJS-UXHICEINSA-N 0 0 377.517 4.032 40 0 GIABRN O=C(CN1CCC(c2ccccc2)CC1)Nc1nnc(C2CCCCC2)s1 ZINC000035316864 570470289 /nfs/dbraw/zinc/47/02/89/570470289.db2.gz PUWBHZBPLSLCBN-UHFFFAOYSA-N 0 0 384.549 4.404 40 0 GIABRN Cc1ccc(-c2nnc(NC(=O)C3(c4ccccc4)CCOCC3)s2)cc1 ZINC000223564235 570471587 /nfs/dbraw/zinc/47/15/87/570471587.db2.gz JLSVCQCJGWFZHA-UHFFFAOYSA-N 0 0 379.485 4.200 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)c3cc4cccc(OC)c4o3)s2)cc1 ZINC000136359648 570473024 /nfs/dbraw/zinc/47/30/24/570473024.db2.gz RCDQKANIYGAZRX-UHFFFAOYSA-N 0 0 381.413 4.221 40 0 GIABRN O=C(CN1c2cccc3cccc(c23)C1=O)NCCOc1ccc2ccccc2c1 ZINC000223597945 570473590 /nfs/dbraw/zinc/47/35/90/570473590.db2.gz MSDKHWYBXGQDPL-UHFFFAOYSA-N 0 0 396.446 4.148 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000223599011 570473752 /nfs/dbraw/zinc/47/37/52/570473752.db2.gz OETOPSZHNOGEQB-JOCHJYFZSA-N 0 0 380.532 4.261 40 0 GIABRN O=C(COc1cccc2c1CCCC2)NCCOc1ccc2ccccc2c1 ZINC000223641331 570476060 /nfs/dbraw/zinc/47/60/60/570476060.db2.gz VCDBXMWOMZPGGX-UHFFFAOYSA-N 0 0 375.468 4.293 40 0 GIABRN O[C@H](COc1cccc2ccccc21)CN1CCN(c2ccccc2Cl)CC1 ZINC000029589829 570476872 /nfs/dbraw/zinc/47/68/72/570476872.db2.gz DYMSKKWHGDKENB-IBGZPJMESA-N 0 0 396.918 4.055 40 0 GIABRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(C)cc2C)c1 ZINC000006348870 570477891 /nfs/dbraw/zinc/47/78/91/570477891.db2.gz DBWHMKDFOMDXRU-UHFFFAOYSA-N 0 0 389.908 4.432 40 0 GIABRN C[C@@H](CCCNC(=O)Nc1ccc(F)cc1)CNC(=O)Nc1ccc(F)cc1 ZINC000006408855 570479606 /nfs/dbraw/zinc/47/96/06/570479606.db2.gz JINHQKMLODGJFL-AWEZNQCLSA-N 0 0 390.434 4.324 40 0 GIABRN Cc1ccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1Cl ZINC000006421519 570479912 /nfs/dbraw/zinc/47/99/12/570479912.db2.gz FCFORIZVFGEQFL-UHFFFAOYSA-N 0 0 387.892 4.347 40 0 GIABRN CC[C@H](Oc1ccccc1OC)C(=O)NCCOc1ccccc1C(C)(C)C ZINC000223718567 570481166 /nfs/dbraw/zinc/48/11/66/570481166.db2.gz DZHBIOQJWHTXPA-SFHVURJKSA-N 0 0 385.504 4.345 40 0 GIABRN O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1 ZINC000006506001 570482156 /nfs/dbraw/zinc/48/21/56/570482156.db2.gz YJZFAZRFBSBGAR-UHFFFAOYSA-N 0 0 393.350 4.022 40 0 GIABRN COc1ccc(-c2csc3ncn(-c4cccc(C)c4)c(=O)c23)cc1OC ZINC000000798350 570482336 /nfs/dbraw/zinc/48/23/36/570482336.db2.gz VFJUUVRTFYISJB-UHFFFAOYSA-N 0 0 378.453 4.440 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223807686 570485181 /nfs/dbraw/zinc/48/51/81/570485181.db2.gz UPBJTNADOMDKTJ-LJQANCHMSA-N 0 0 378.516 4.014 40 0 GIABRN CCCCc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000006652994 570485853 /nfs/dbraw/zinc/48/58/53/570485853.db2.gz DPPHANJCNDGJIH-UHFFFAOYSA-N 0 0 394.924 4.087 40 0 GIABRN O=C(OCc1cnc(-c2cccc(F)c2)nc1)c1snnc1-c1ccccc1 ZINC000223834872 570486196 /nfs/dbraw/zinc/48/61/96/570486196.db2.gz UIGBWSUANIOFAS-UHFFFAOYSA-N 0 0 392.415 4.158 40 0 GIABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2CC)cc1 ZINC000223837459 570486675 /nfs/dbraw/zinc/48/66/75/570486675.db2.gz AQSNMYFYSQYCLX-SFTDATJTSA-N 0 0 392.528 4.479 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223894597 570489211 /nfs/dbraw/zinc/48/92/11/570489211.db2.gz HYJXGAZNADYTAN-SFHVURJKSA-N 0 0 396.506 4.153 40 0 GIABRN CSc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 ZINC000223919759 570490145 /nfs/dbraw/zinc/49/01/45/570490145.db2.gz KDSFGQUPYKBMDX-UHFFFAOYSA-N 0 0 398.509 4.462 40 0 GIABRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1 ZINC000223924943 570490483 /nfs/dbraw/zinc/49/04/83/570490483.db2.gz GVOLWKKNERTCIK-NRFANRHFSA-N 0 0 394.496 4.369 40 0 GIABRN CC(C)(C)c1ccc(OCCNS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000223986462 570492863 /nfs/dbraw/zinc/49/28/63/570492863.db2.gz DLYYKSQXTBAPJC-UHFFFAOYSA-N 0 0 383.513 4.495 40 0 GIABRN Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc2c(c1)OCO2 ZINC000223999745 570493631 /nfs/dbraw/zinc/49/36/31/570493631.db2.gz BKEJRYDMMORIEA-QZTJIDSGSA-N 0 0 395.509 4.357 40 0 GIABRN Cc1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1N1CCCC1=O ZINC000224005967 570494144 /nfs/dbraw/zinc/49/41/44/570494144.db2.gz UOCZDFUPKTVMBI-UHFFFAOYSA-N 0 0 378.472 4.018 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)c(Cl)c1Cl ZINC000030756465 570495170 /nfs/dbraw/zinc/49/51/70/570495170.db2.gz CTFBVFMCUZAWBQ-SECBINFHSA-N 0 0 378.252 4.181 40 0 GIABRN CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2Cl)c(Cl)c1 ZINC000030757275 570495234 /nfs/dbraw/zinc/49/52/34/570495234.db2.gz QMMXIISFBPGYIY-UHFFFAOYSA-N 0 0 388.272 4.112 40 0 GIABRN Cc1ccc(N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)cc1C ZINC000224053475 570496313 /nfs/dbraw/zinc/49/63/13/570496313.db2.gz OZJJXWNMFHMDEQ-UHFFFAOYSA-N 0 0 396.597 4.181 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC3=CCCCC3)c2)cc1 ZINC000224074903 570497217 /nfs/dbraw/zinc/49/72/17/570497217.db2.gz PMWRNRXTECOXNW-UHFFFAOYSA-N 0 0 384.501 4.026 40 0 GIABRN Cc1nccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1ccccc1C(C)C ZINC000030855455 570498807 /nfs/dbraw/zinc/49/88/07/570498807.db2.gz HCMDTWTUHMCOMT-QGZVFWFLSA-N 0 0 377.488 4.388 40 0 GIABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000224110128 570499133 /nfs/dbraw/zinc/49/91/33/570499133.db2.gz LUJABLMXJNSHGD-KRWDZBQOSA-N 0 0 386.923 4.072 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(CC)cc1 ZINC000224128494 570500113 /nfs/dbraw/zinc/50/01/13/570500113.db2.gz MJBZYXULRIFBDX-JOCHJYFZSA-N 0 0 380.532 4.125 40 0 GIABRN Cc1nccn1-c1ccc(CNC(=O)[C@@H](C)Oc2cccc3ccccc32)cc1 ZINC000030871140 570500226 /nfs/dbraw/zinc/50/02/26/570500226.db2.gz MNJGPGARTOQKGU-QGZVFWFLSA-N 0 0 385.467 4.418 40 0 GIABRN Cc1ccc(OCCNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl ZINC000224142276 570500404 /nfs/dbraw/zinc/50/04/04/570500404.db2.gz HWRQAWATVSQPHZ-UHFFFAOYSA-N 0 0 394.707 4.313 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224136150 570500479 /nfs/dbraw/zinc/50/04/79/570500479.db2.gz SVVZNNLKCFVINY-HXUWFJFHSA-N 0 0 380.532 4.035 40 0 GIABRN O=C(NCc1ccco1)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000000866495 570501019 /nfs/dbraw/zinc/50/10/19/570501019.db2.gz HHXUGBROHTWTSO-TZMCWYRMSA-N 0 0 396.394 4.128 40 0 GIABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1ccccc1 ZINC000224155760 570501231 /nfs/dbraw/zinc/50/12/31/570501231.db2.gz NMZHSWLTMTUVEF-QHCPKHFHSA-N 0 0 392.543 4.404 40 0 GIABRN Cc1cc(C)c2cc(C)c3nnc(SCC(=O)N4CCCC[C@H]4C)n3c2c1 ZINC000000877188 570503901 /nfs/dbraw/zinc/50/39/01/570503901.db2.gz NFUPOKPLFRGCAH-MRXNPFEDSA-N 0 0 382.533 4.301 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1 ZINC000224226040 570504384 /nfs/dbraw/zinc/50/43/84/570504384.db2.gz YTZLSRGEMPGFGL-NRFANRHFSA-N 0 0 398.572 4.172 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000224224587 570504495 /nfs/dbraw/zinc/50/44/95/570504495.db2.gz PWAUPYIJWOULRV-QFIPXVFZSA-N 0 0 380.532 4.098 40 0 GIABRN Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1 ZINC000000880343 570506187 /nfs/dbraw/zinc/50/61/87/570506187.db2.gz VFYIRIGOXMHAET-FQEVSTJZSA-N 0 0 391.471 4.050 40 0 GIABRN O=C(c1ccccc1)[C@H]([C@@H](Nc1ccccc1)c1ccccc1)N1CCOCC1 ZINC000031962138 570507743 /nfs/dbraw/zinc/50/77/43/570507743.db2.gz MCYZFIBTHIHJGW-ZEQRLZLVSA-N 0 0 386.495 4.424 40 0 GIABRN CCN(C(=O)COc1ccccc1)c1nc(-c2cc(OC)ccc2OC)cs1 ZINC000000881007 570508084 /nfs/dbraw/zinc/50/80/84/570508084.db2.gz LKUBETHSHIUTNK-UHFFFAOYSA-N 0 0 398.484 4.259 40 0 GIABRN CC[C@@H](C)NC(=O)c1cnn2c1N[C@@H](c1cccc(OC)c1)C[C@@H]2C(F)(F)F ZINC000000884290 570508547 /nfs/dbraw/zinc/50/85/47/570508547.db2.gz ZTKLSLAGFJQKJY-HFBAOOFYSA-N 0 0 396.413 4.080 40 0 GIABRN COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 ZINC000224320960 570508902 /nfs/dbraw/zinc/50/89/02/570508902.db2.gz PNLNQSZMQIGKQS-HZPDHXFCSA-N 0 0 383.488 4.227 40 0 GIABRN CCCCc1ccc2[nH]c(=NC(=S)NC(=O)c3ccccc3OC)sc2c1 ZINC000032118760 570509136 /nfs/dbraw/zinc/50/91/36/570509136.db2.gz JOUIARRPEUBNAP-UHFFFAOYSA-N 0 0 399.541 4.196 40 0 GIABRN CCNC(=S)N(Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000000884655 570509143 /nfs/dbraw/zinc/50/91/43/570509143.db2.gz USDSQVVIYPFNBS-UHFFFAOYSA-N 0 0 385.558 4.103 40 0 GIABRN CCC[C@@H](C)NC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224334655 570509679 /nfs/dbraw/zinc/50/96/79/570509679.db2.gz QZIODRUKUFAHJC-CQSZACIVSA-N 0 0 394.924 4.084 40 0 GIABRN COc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)c1 ZINC000224409657 570512494 /nfs/dbraw/zinc/51/24/94/570512494.db2.gz FMFOREQSFTYMEV-ZHZULCJRSA-N 0 0 392.480 4.475 40 0 GIABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C ZINC000224429492 570513182 /nfs/dbraw/zinc/51/31/82/570513182.db2.gz RRVMOGHZRXKNAJ-VQTJNVASSA-N 0 0 380.492 4.353 40 0 GIABRN COc1ccc(OCCCC(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 ZINC000224444962 570513637 /nfs/dbraw/zinc/51/36/37/570513637.db2.gz HQUITUJIDSVPPK-UHFFFAOYSA-N 0 0 399.472 4.020 40 0 GIABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccccc1OC ZINC000224460343 570514166 /nfs/dbraw/zinc/51/41/66/570514166.db2.gz TYCSEFSGULOAMS-FQEVSTJZSA-N 0 0 379.456 4.201 40 0 GIABRN Cc1cc2ccc(C)c(C)c2n2c(SCC(=O)N3CCC(C)CC3)nnc12 ZINC000000903228 570515220 /nfs/dbraw/zinc/51/52/20/570515220.db2.gz XDXLUIJHXSTPCX-UHFFFAOYSA-N 0 0 382.533 4.158 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC000224530204 570516825 /nfs/dbraw/zinc/51/68/25/570516825.db2.gz OLFNSJDENHVLHB-UHFFFAOYSA-N 0 0 381.457 4.440 40 0 GIABRN Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2)c1 ZINC000224538364 570517147 /nfs/dbraw/zinc/51/71/47/570517147.db2.gz MNIMYSGMTOGRLH-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN CCOc1ccc(C(=O)N2CCOCC2)cc1COc1ccc(Cl)c(C)c1 ZINC000224546808 570517883 /nfs/dbraw/zinc/51/78/83/570517883.db2.gz MRLZBEPUHPXTID-UHFFFAOYSA-N 0 0 389.879 4.099 40 0 GIABRN Cc1c2ccccc2oc1C(=O)N1CC2(C1)C[C@H](OCc1cccnc1)CS2 ZINC000575402744 570519156 /nfs/dbraw/zinc/51/91/56/570519156.db2.gz GKUUEGASAQGTMA-KRWDZBQOSA-N 0 0 394.496 4.053 40 0 GIABRN CCOc1ccc(S(=O)(=O)N(CC)c2ccccc2Br)cc1 ZINC000224588155 570519455 /nfs/dbraw/zinc/51/94/55/570519455.db2.gz NNTMIOHVUVKWGJ-UHFFFAOYSA-N 0 0 384.295 4.063 40 0 GIABRN CCOc1ccc(C(=O)N[C@@H](C)COC)cc1COc1cc(C)cc(C)c1C ZINC000224616268 570520781 /nfs/dbraw/zinc/52/07/81/570520781.db2.gz LMKCIJVRNRTHSX-KRWDZBQOSA-N 0 0 385.504 4.354 40 0 GIABRN CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224615523 570520869 /nfs/dbraw/zinc/52/08/69/570520869.db2.gz XZUJQCDLAZHILS-UHFFFAOYSA-N 0 0 390.288 4.226 40 0 GIABRN Cc1c2ccccc2oc1C(=O)N1CC2(C1)C[C@@H](OCc1ccncc1)CS2 ZINC000575404677 570521171 /nfs/dbraw/zinc/52/11/71/570521171.db2.gz UFDVRAXRNNPKEW-QGZVFWFLSA-N 0 0 394.496 4.053 40 0 GIABRN CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(CC)cc1 ZINC000224625536 570521211 /nfs/dbraw/zinc/52/12/11/570521211.db2.gz HCLUMDDNWOVIRH-QHCPKHFHSA-N 0 0 394.559 4.168 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F ZINC000224630425 570521501 /nfs/dbraw/zinc/52/15/01/570521501.db2.gz IDRBDUZLBLBYPB-QFIPXVFZSA-N 0 0 398.522 4.256 40 0 GIABRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000224642756 570522480 /nfs/dbraw/zinc/52/24/80/570522480.db2.gz XQLBLMIMLYWTHQ-LJQANCHMSA-N 0 0 378.516 4.095 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(CC)cc1 ZINC000224660953 570523109 /nfs/dbraw/zinc/52/31/09/570523109.db2.gz MSZDARIPSIYAOF-LJQANCHMSA-N 0 0 380.532 4.125 40 0 GIABRN COc1ccc2nc(C)cc(SCC(=O)Nc3ccc(C(C)=O)cc3)c2c1 ZINC000000915662 570523192 /nfs/dbraw/zinc/52/31/92/570523192.db2.gz CVCPOXDUBFUXBG-UHFFFAOYSA-N 0 0 380.469 4.485 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1 ZINC000224668511 570523517 /nfs/dbraw/zinc/52/35/17/570523517.db2.gz HOUFCAXNGNTXNQ-IBGZPJMESA-N 0 0 398.572 4.172 40 0 GIABRN CCOc1ccccc1N(CC)S(=O)(=O)c1ccc(Br)cc1 ZINC000224726441 570526855 /nfs/dbraw/zinc/52/68/55/570526855.db2.gz ZOLPETMUFMVZDO-UHFFFAOYSA-N 0 0 384.295 4.063 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000224763429 570529951 /nfs/dbraw/zinc/52/99/51/570529951.db2.gz YVRBNQOERFNRDG-QGZVFWFLSA-N 0 0 386.923 4.134 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 ZINC000224767648 570530035 /nfs/dbraw/zinc/53/00/35/570530035.db2.gz WTLRMQRUDGMNCS-QFIPXVFZSA-N 0 0 398.522 4.256 40 0 GIABRN CCOc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C ZINC000224768027 570530040 /nfs/dbraw/zinc/53/00/40/570530040.db2.gz FZCUBWSKVPFQLT-HKWRFOASSA-N 0 0 390.439 4.396 40 0 GIABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccs2)c(OC)c1 ZINC000224794407 570531241 /nfs/dbraw/zinc/53/12/41/570531241.db2.gz AGQXHOYTMRJDOV-RTBURBONSA-N 0 0 397.525 4.337 40 0 GIABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccs2)c(OC)c1 ZINC000224794366 570531343 /nfs/dbraw/zinc/53/13/43/570531343.db2.gz AGQXHOYTMRJDOV-RBUKOAKNSA-N 0 0 397.525 4.337 40 0 GIABRN Cc1ccc(NCc2nnc(S[C@H](C)C(=O)Nc3ccccc3C)n2C)cc1 ZINC000000917690 570533768 /nfs/dbraw/zinc/53/37/68/570533768.db2.gz FMSTXAGZSXBXDA-MRXNPFEDSA-N 0 0 395.532 4.163 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000224861142 570534658 /nfs/dbraw/zinc/53/46/58/570534658.db2.gz UUGALKZZKWYGQI-UHFFFAOYSA-N 0 0 379.787 4.193 40 0 GIABRN CCOc1ccccc1NC(=O)CCc1ncc(-c2ccc(OC)cc2OC)o1 ZINC000224868919 570535132 /nfs/dbraw/zinc/53/51/32/570535132.db2.gz DWMRDRHOGNGPDU-UHFFFAOYSA-N 0 0 396.443 4.329 40 0 GIABRN O=C(CCc1ncc(-c2cccc(Br)c2)o1)NCc1ccccc1 ZINC000224883452 570535936 /nfs/dbraw/zinc/53/59/36/570535936.db2.gz ZPLNBIMYKDXCRE-UHFFFAOYSA-N 0 0 385.261 4.353 40 0 GIABRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)[nH]1 ZINC000224885372 570536558 /nfs/dbraw/zinc/53/65/58/570536558.db2.gz CQOUUDJKBXWCJB-QZTJIDSGSA-N 0 0 384.892 4.254 40 0 GIABRN CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(-c2cccc(Cl)c2C)o1 ZINC000001085048 570537170 /nfs/dbraw/zinc/53/71/70/570537170.db2.gz OZQXSJGBHCCBBZ-SFHVURJKSA-N 0 0 388.851 4.442 40 0 GIABRN COc1ccc(Cl)cc1N(C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224934111 570538720 /nfs/dbraw/zinc/53/87/20/570538720.db2.gz DWPVBOJDVYPCOK-UHFFFAOYSA-N 0 0 380.680 4.481 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CCc1ccccc1 ZINC000224943743 570539161 /nfs/dbraw/zinc/53/91/61/570539161.db2.gz PSLNFODJHWLBIB-HSZRJFAPSA-N 0 0 394.559 4.241 40 0 GIABRN CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1C ZINC000224950273 570539458 /nfs/dbraw/zinc/53/94/58/570539458.db2.gz CXSMYNULVKJBGY-INIZCTEOSA-N 0 0 381.472 4.457 40 0 GIABRN COc1ccc(OC)c(C(=O)CSc2nc3cc4c(cc3cc2C)OCO4)c1 ZINC000000930000 570540190 /nfs/dbraw/zinc/54/01/90/570540190.db2.gz PVUXJCZPGKFYRX-UHFFFAOYSA-N 0 0 397.452 4.264 40 0 GIABRN Cc1cc2c(C)ccc(C)c2n2c(SCC(=O)N3CCCC[C@@H]3C)nnc12 ZINC000000929702 570540206 /nfs/dbraw/zinc/54/02/06/570540206.db2.gz RJICMSGNLLRVHM-INIZCTEOSA-N 0 0 382.533 4.301 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 ZINC000224974714 570540910 /nfs/dbraw/zinc/54/09/10/570540910.db2.gz BACUZBFKPVUFHW-RBUKOAKNSA-N 0 0 398.572 4.419 40 0 GIABRN CCCOc1ccccc1CCCNC(=O)COc1ccc2c(c1)CCCC2 ZINC000224991059 570541879 /nfs/dbraw/zinc/54/18/79/570541879.db2.gz OZZAJVNADRZJLY-UHFFFAOYSA-N 0 0 381.516 4.482 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000224994692 570542259 /nfs/dbraw/zinc/54/22/59/570542259.db2.gz BFXLOOLDHLCGQI-VQTJNVASSA-N 0 0 380.532 4.260 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000225015462 570543834 /nfs/dbraw/zinc/54/38/34/570543834.db2.gz FCCSYGIWUKABQG-HXUWFJFHSA-N 0 0 388.895 4.281 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 ZINC000225043753 570544819 /nfs/dbraw/zinc/54/48/19/570544819.db2.gz PLEDZMNNKFLCDK-PMACEKPBSA-N 0 0 380.532 4.178 40 0 GIABRN Cc1cc2c3nnc(SCC(=O)Nc4ccccc4C)nc3[nH]c2c(C)c1 ZINC000000976208 570545477 /nfs/dbraw/zinc/54/54/77/570545477.db2.gz ZUYNXJMNYJXPKS-UHFFFAOYSA-N 0 0 377.473 4.162 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C ZINC000225067066 570546533 /nfs/dbraw/zinc/54/65/33/570546533.db2.gz KUZPCCUTARPWMN-MRXNPFEDSA-N 0 0 390.892 4.358 40 0 GIABRN COc1ccc(CCCNC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000225072769 570547047 /nfs/dbraw/zinc/54/70/47/570547047.db2.gz OSXPFXAMIPUVMG-UHFFFAOYSA-N 0 0 382.685 4.474 40 0 GIABRN Cc1ccc(N(C)CCNC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000225075633 570547606 /nfs/dbraw/zinc/54/76/06/570547606.db2.gz TXPWWKTZYYJBGG-UHFFFAOYSA-N 0 0 381.701 4.277 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C ZINC000225093293 570548371 /nfs/dbraw/zinc/54/83/71/570548371.db2.gz YHZFVZBBJHGLRU-VQTJNVASSA-N 0 0 396.531 4.014 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCc2ccc(Cl)cc2)cc1C(C)C ZINC000225096197 570548476 /nfs/dbraw/zinc/54/84/76/570548476.db2.gz LRMMVZCXYQXKPS-UHFFFAOYSA-N 0 0 381.925 4.301 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225093301 570548484 /nfs/dbraw/zinc/54/84/84/570548484.db2.gz HUVYYAIETQMQEA-QFIPXVFZSA-N 0 0 380.532 4.180 40 0 GIABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000225108511 570549509 /nfs/dbraw/zinc/54/95/09/570549509.db2.gz CLQODZWDHDYORY-HNNXBMFYSA-N 0 0 395.908 4.238 40 0 GIABRN COc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1Cl ZINC000225130236 570551137 /nfs/dbraw/zinc/55/11/37/570551137.db2.gz NNRKCPDSZJBJEA-UHFFFAOYSA-N 0 0 398.812 4.330 40 0 GIABRN CC(C)c1ccc2[nH]c3nc(SCC(=O)Nc4cccc(O)c4)nnc3c2c1 ZINC000035289671 570551218 /nfs/dbraw/zinc/55/12/18/570551218.db2.gz HNJVZBXOWRJIDJ-UHFFFAOYSA-N 0 0 393.472 4.066 40 0 GIABRN O=C(Nc1ccc(F)cc1)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000035311837 570551601 /nfs/dbraw/zinc/55/16/01/570551601.db2.gz DJUFSDDGKGROCH-UHFFFAOYSA-N 0 0 399.510 4.155 40 0 GIABRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NC[C@H](C)c1ccccc1 ZINC000225139117 570551894 /nfs/dbraw/zinc/55/18/94/570551894.db2.gz BXZXGZJQOQXCRR-CEZZIEKDSA-N 0 0 388.467 4.279 40 0 GIABRN COc1ccc([C@H]2c3cc4c(cc3O[C@@](C)(N3CCCC3)[C@@H]2C)OCO4)cc1 ZINC000035361734 570552296 /nfs/dbraw/zinc/55/22/96/570552296.db2.gz HIXCOBNUFVJSMU-AIYSXCBHSA-N 0 0 381.472 4.396 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C ZINC000225163564 570552551 /nfs/dbraw/zinc/55/25/51/570552551.db2.gz RKIQJUCFWODPFI-OAQYLSRUSA-N 0 0 396.531 4.016 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225163271 570552590 /nfs/dbraw/zinc/55/25/90/570552590.db2.gz MZISMWPGKSZYPS-HSZRJFAPSA-N 0 0 394.559 4.488 40 0 GIABRN CCc1ccc(OCCNC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)cc1 ZINC000225163743 570552757 /nfs/dbraw/zinc/55/27/57/570552757.db2.gz LYFGMLCQVHOVCD-HSZRJFAPSA-N 0 0 381.516 4.480 40 0 GIABRN CCc1ccc(OCCNC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)cc1 ZINC000225163781 570552965 /nfs/dbraw/zinc/55/29/65/570552965.db2.gz LYFGMLCQVHOVCD-QHCPKHFHSA-N 0 0 381.516 4.480 40 0 GIABRN CC(C)[C@H](C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000225185305 570554374 /nfs/dbraw/zinc/55/43/74/570554374.db2.gz ZDTQGVVEOHHMMS-KSFYIVLOSA-N 0 0 382.529 4.235 40 0 GIABRN CC(C)(C)c1ccc(OCCNC(=O)c2ccc(Cn3ccnc3)cc2)cc1 ZINC000225183847 570554499 /nfs/dbraw/zinc/55/44/99/570554499.db2.gz OAIPSFHMGMWGJI-UHFFFAOYSA-N 0 0 377.488 4.038 40 0 GIABRN CCOc1ccc(Nc2cc(C)nc(NC(=S)NCc3ccccc3)n2)cc1 ZINC000225199779 570555242 /nfs/dbraw/zinc/55/52/42/570555242.db2.gz PBPSZPNVEQQOON-UHFFFAOYSA-N 0 0 393.516 4.414 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1C ZINC000225200016 570555247 /nfs/dbraw/zinc/55/52/47/570555247.db2.gz FDRCMTLPFHKAPA-SFHVURJKSA-N 0 0 384.495 4.010 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(C)cc1 ZINC000225193933 570555319 /nfs/dbraw/zinc/55/53/19/570555319.db2.gz XGWYKWGOAXQRDW-SFHVURJKSA-N 0 0 384.495 4.010 40 0 GIABRN CCC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC1CCCCC1 ZINC000225200716 570555595 /nfs/dbraw/zinc/55/55/95/570555595.db2.gz KITJELAIYLMDBW-AWEZNQCLSA-N 0 0 395.341 4.025 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000225213633 570556638 /nfs/dbraw/zinc/55/66/38/570556638.db2.gz UZVINFQYSTTZOF-QZTJIDSGSA-N 0 0 384.495 4.090 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)C(C)C)c(Cl)c2)cc1 ZINC000225215704 570556929 /nfs/dbraw/zinc/55/69/29/570556929.db2.gz XUVWGUAWEFCNOX-AWEZNQCLSA-N 0 0 394.924 4.224 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 ZINC000225230457 570558034 /nfs/dbraw/zinc/55/80/34/570558034.db2.gz KVABHFWXPMYNII-OALUTQOASA-N 0 0 398.522 4.399 40 0 GIABRN O=C(N1CCS/C1=C\c1csc(Nc2ccc(F)cc2)n1)C(F)(F)F ZINC000225254559 570559377 /nfs/dbraw/zinc/55/93/77/570559377.db2.gz MJCZJMWWRSJVTN-KPKJPENVSA-N 0 0 389.399 4.462 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 ZINC000225276194 570560954 /nfs/dbraw/zinc/56/09/54/570560954.db2.gz PQGLDHPFZKLTPX-NRFANRHFSA-N 0 0 384.495 4.010 40 0 GIABRN C[C@@]1(C(=O)NCC[C@@H](c2ccc(F)cc2)[C@@H]2CCOC(C)(C)C2)CCCO1 ZINC000036719419 570561786 /nfs/dbraw/zinc/56/17/86/570561786.db2.gz IDOIPAWMUBQQKH-LZNRXBQRSA-N 0 0 377.500 4.190 40 0 GIABRN O=C1CCCN1c1ccc(NC(=S)NCCSCc2ccccc2)cc1 ZINC000225290971 570562252 /nfs/dbraw/zinc/56/22/52/570562252.db2.gz BXPHSJPYLPRCBA-UHFFFAOYSA-N 0 0 385.558 4.033 40 0 GIABRN Cc1ccc(CSCCNC(=S)Nc2cccc(N3CCCC3=O)c2)cc1 ZINC000225294433 570562661 /nfs/dbraw/zinc/56/26/61/570562661.db2.gz LOEFFRCINVUOMX-UHFFFAOYSA-N 0 0 399.585 4.342 40 0 GIABRN COc1ccc(CCC(=O)NCCSCc2c(F)cccc2Cl)cc1 ZINC000225314338 570564380 /nfs/dbraw/zinc/56/43/80/570564380.db2.gz UVXQVOZTUANTIC-UHFFFAOYSA-N 0 0 381.900 4.470 40 0 GIABRN COc1cc(CNC(=O)CCc2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000225335527 570564994 /nfs/dbraw/zinc/56/49/94/570564994.db2.gz LDTOHOBEZOEMTN-UHFFFAOYSA-N 0 0 398.286 4.268 40 0 GIABRN Cc1[nH]c2ccc(-c3nnc(SCC(=O)N4CCCC[C@H]4C)o3)cc2c1C ZINC000001223289 570565063 /nfs/dbraw/zinc/56/50/63/570565063.db2.gz PNIIXPMSIFFCSI-GFCCVEGCSA-N 0 0 384.505 4.328 40 0 GIABRN CCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001224481 570565368 /nfs/dbraw/zinc/56/53/68/570565368.db2.gz DBJSMXOSGGMJQJ-UHFFFAOYSA-N 0 0 397.519 4.181 40 0 GIABRN O=C(COc1ccc(C2SCCS2)cc1)NCCc1c[nH]c2ccccc12 ZINC000010146687 570565951 /nfs/dbraw/zinc/56/59/51/570565951.db2.gz RRHMOWWDVLGALU-UHFFFAOYSA-N 0 0 398.553 4.384 40 0 GIABRN O=C(Nc1ccccc1-c1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000036626607 570566123 /nfs/dbraw/zinc/56/61/23/570566123.db2.gz NIAFPXXAOVBRSL-UHFFFAOYSA-N 0 0 375.815 4.496 40 0 GIABRN O=C(c1ccccc1Br)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000001326715 570566700 /nfs/dbraw/zinc/56/67/00/570566700.db2.gz DFHKWMIYVHDAJB-UHFFFAOYSA-N 0 0 384.277 4.345 40 0 GIABRN CCN(CC)C(=O)CSc1nnc2c3c(C)c(C)sc3nc(C(C)C)n12 ZINC000001336236 570569653 /nfs/dbraw/zinc/56/96/53/570569653.db2.gz VLFNBIRVCRMGQX-UHFFFAOYSA-N 0 0 391.566 4.040 40 0 GIABRN Cc1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c(C)c1 ZINC000010337348 570569773 /nfs/dbraw/zinc/56/97/73/570569773.db2.gz XCBAZLUZJAHLMU-OAHLLOKOSA-N 0 0 394.924 4.058 40 0 GIABRN O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2 ZINC000225399449 570569706 /nfs/dbraw/zinc/56/97/06/570569706.db2.gz AJTXXDDLMBDSKE-UHFFFAOYSA-N 0 0 398.311 4.428 40 0 GIABRN Cc1cccc(C(=O)N2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)c1 ZINC000001337243 570570383 /nfs/dbraw/zinc/57/03/83/570570383.db2.gz FMDIQHGHRASSIW-UHFFFAOYSA-N 0 0 381.476 4.220 40 0 GIABRN Cc1ccc(C(=O)N(CCc2ccccc2)CC(=O)NC2CCCCC2)s1 ZINC000001342243 570570865 /nfs/dbraw/zinc/57/08/65/570570865.db2.gz FKDXITDNXIVBNN-UHFFFAOYSA-N 0 0 384.545 4.190 40 0 GIABRN COC(=O)c1cc2c(ccn2C)n1CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000001353599 570573394 /nfs/dbraw/zinc/57/33/94/570573394.db2.gz KTZWZGLDUPVSPS-UHFFFAOYSA-N 0 0 399.535 4.260 40 0 GIABRN CCC(CC)C(=O)N(Cc1nc(=O)c2c(C)c(C)sc2[nH]1)C1CCCC1 ZINC000001358996 570575299 /nfs/dbraw/zinc/57/52/99/570575299.db2.gz OYBMIESPSBRAMQ-UHFFFAOYSA-N 0 0 375.538 4.309 40 0 GIABRN COc1ccc(NC(=S)NCc2ccc(-n3ccnc3C)cc2)cc1Cl ZINC000225457032 570576269 /nfs/dbraw/zinc/57/62/69/570576269.db2.gz TZOZXPHOHMSXBH-UHFFFAOYSA-N 0 0 386.908 4.329 40 0 GIABRN CCCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccccn1 ZINC000001362596 570576900 /nfs/dbraw/zinc/57/69/00/570576900.db2.gz JXAGQDBBFSEDPK-UHFFFAOYSA-N 0 0 381.505 4.098 40 0 GIABRN COc1ccc([C@H](C)NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000225466793 570577306 /nfs/dbraw/zinc/57/73/06/570577306.db2.gz ICLMAECXEFXKMZ-INIZCTEOSA-N 0 0 397.544 4.369 40 0 GIABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000225470530 570577600 /nfs/dbraw/zinc/57/76/00/570577600.db2.gz XAYDPPLUZRPKOS-MRXNPFEDSA-N 0 0 391.471 4.041 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 ZINC000225488867 570579456 /nfs/dbraw/zinc/57/94/56/570579456.db2.gz PBDJVIRAKFSZOB-DENIHFKCSA-N 0 0 396.531 4.096 40 0 GIABRN Cc1ccc(CN(Cc2cc3ccc(C)cc3n3nnnc23)C(=O)C2CCC2)cc1 ZINC000001367364 570580092 /nfs/dbraw/zinc/58/00/92/570580092.db2.gz JYCBGIUYXORAIK-UHFFFAOYSA-N 0 0 399.498 4.223 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(OC)c(Cl)c1 ZINC000225497978 570580701 /nfs/dbraw/zinc/58/07/01/570580701.db2.gz RLEROYUERKOEEC-INIZCTEOSA-N 0 0 375.852 4.389 40 0 GIABRN C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)N4CCCC4)c32)C1 ZINC000001377279 570581867 /nfs/dbraw/zinc/58/18/67/570581867.db2.gz CFRVEWLTOFDTTG-GFCCVEGCSA-N 0 0 387.574 4.408 40 0 GIABRN CC[C@@H](Oc1ccccc1C)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000038756311 570582823 /nfs/dbraw/zinc/58/28/23/570582823.db2.gz TVJYBGKVLCTYGD-SNMYMPMCSA-N 0 0 378.516 4.010 40 0 GIABRN Cc1ccc(NC(=S)NCc2cccc(OC(C)C)c2)cc1N1CCCC1=O ZINC000225524900 570583439 /nfs/dbraw/zinc/58/34/39/570583439.db2.gz JKGVKAYGJHVYHY-UHFFFAOYSA-N 0 0 397.544 4.396 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)NCc2cccc(OC(C)C)c2)c(C)c1 ZINC000225524385 570583483 /nfs/dbraw/zinc/58/34/83/570583483.db2.gz WDWAECXDSNNWJQ-UHFFFAOYSA-N 0 0 386.517 4.446 40 0 GIABRN Cc1ccc(CN(C(=O)CCCOc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225528127 570584372 /nfs/dbraw/zinc/58/43/72/570584372.db2.gz VPXSWBBQXKWEEH-FQEVSTJZSA-N 0 0 396.531 4.096 40 0 GIABRN COc1ccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)cn1 ZINC000225535717 570585393 /nfs/dbraw/zinc/58/53/93/570585393.db2.gz JEHZIQOWTPNELA-UHFFFAOYSA-N 0 0 397.475 4.295 40 0 GIABRN COc1ccccc1CCCNC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000225551492 570586916 /nfs/dbraw/zinc/58/69/16/570586916.db2.gz AQOGCOBOLSFWAC-UHFFFAOYSA-N 0 0 397.544 4.050 40 0 GIABRN O=C(c1ccc(NC(=S)NCCCc2ccc(F)cc2)cc1)N1CCCCC1 ZINC000225548654 570587134 /nfs/dbraw/zinc/58/71/34/570587134.db2.gz RHKDCXGLYVPZKK-UHFFFAOYSA-N 0 0 399.535 4.371 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 ZINC000225556856 570587886 /nfs/dbraw/zinc/58/78/86/570587886.db2.gz OKQORIYTASJWBG-UGKGYDQZSA-N 0 0 380.532 4.260 40 0 GIABRN COc1ccc(CCCNC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 ZINC000225557733 570588036 /nfs/dbraw/zinc/58/80/36/570588036.db2.gz POHRSAGCSAXQOK-UHFFFAOYSA-N 0 0 397.544 4.050 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 ZINC000225556205 570588086 /nfs/dbraw/zinc/58/80/86/570588086.db2.gz OOCCYUDVECCUFI-KNQAVFIVSA-N 0 0 396.531 4.096 40 0 GIABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2C)cc1 ZINC000038855646 570588626 /nfs/dbraw/zinc/58/86/26/570588626.db2.gz HTTKIBFQVAGCNN-INIZCTEOSA-N 0 0 390.487 4.020 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F ZINC000225585936 570591277 /nfs/dbraw/zinc/59/12/77/570591277.db2.gz FSOFJIKGWKQQIF-GCJKJVERSA-N 0 0 398.522 4.399 40 0 GIABRN COC(=O)c1c(NC(=O)c2ccc(OC)c(Cl)c2)sc2c1CCCC2 ZINC000040114297 570595900 /nfs/dbraw/zinc/59/59/00/570595900.db2.gz IALKQIUYMIMSCX-UHFFFAOYSA-N 0 0 379.865 4.328 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](C)COc2ccc(C)cc2)c1 ZINC000225642392 570597421 /nfs/dbraw/zinc/59/74/21/570597421.db2.gz WKNFYADBFCSYHU-MRXNPFEDSA-N 0 0 386.517 4.234 40 0 GIABRN Cc1nc2nc3ccn(C4CCCCC4)c(=O)c3c(-c3ccc(F)cc3)n2n1 ZINC000040398544 570602313 /nfs/dbraw/zinc/60/23/13/570602313.db2.gz MPSDYMYDKMVTJX-UHFFFAOYSA-N 0 0 377.423 4.059 40 0 GIABRN CCc1ccc(OCC(=O)Nc2cc(C)ccc2OC)c(Br)c1 ZINC000040943971 570614411 /nfs/dbraw/zinc/61/44/11/570614411.db2.gz HGBHFDJZVBWLQP-UHFFFAOYSA-N 0 0 378.266 4.346 40 0 GIABRN COc1cccc(-c2nnsc2C(=O)Nc2ccc(Br)cc2)c1 ZINC000225765937 570614646 /nfs/dbraw/zinc/61/46/46/570614646.db2.gz MNVQVDSHWVUGAT-UHFFFAOYSA-N 0 0 390.262 4.229 40 0 GIABRN COc1ccccc1OC[C@@H](C)NC(=S)Nc1cccc(Br)c1 ZINC000225785472 570617193 /nfs/dbraw/zinc/61/71/93/570617193.db2.gz PPMHLLITOXHZDV-GFCCVEGCSA-N 0 0 395.322 4.212 40 0 GIABRN COc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(OC)c2ncccc12 ZINC000225788535 570617819 /nfs/dbraw/zinc/61/78/19/570617819.db2.gz QNZBHVYVTJXOKE-CQSZACIVSA-N 0 0 397.500 4.006 40 0 GIABRN CCOC(=O)c1cc(NC(=O)C(CC(C)C)(CC(C)C)OC)ccc1OC ZINC000225798303 570618552 /nfs/dbraw/zinc/61/85/52/570618552.db2.gz UXWDTKVGNZJQPT-UHFFFAOYSA-N 0 0 379.497 4.288 40 0 GIABRN O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1cccc(Br)c1 ZINC000225799455 570618486 /nfs/dbraw/zinc/61/84/86/570618486.db2.gz RKQAIKOXIRUACW-UHFFFAOYSA-N 0 0 390.212 4.210 40 0 GIABRN COc1ccc(SCCCNC(=S)Nc2ccc(OC)c(OC)c2)cc1 ZINC000225802711 570618965 /nfs/dbraw/zinc/61/89/65/570618965.db2.gz XVZCPCIPRYKBLH-UHFFFAOYSA-N 0 0 392.546 4.181 40 0 GIABRN O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1ccccc1F ZINC000225803419 570619074 /nfs/dbraw/zinc/61/90/74/570619074.db2.gz YROHGBHZKVLWTB-UHFFFAOYSA-N 0 0 379.313 4.466 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)ccc1OCC(C)C ZINC000225808399 570619789 /nfs/dbraw/zinc/61/97/89/570619789.db2.gz AHAKQVSPKQIDGJ-KSFYIVLOSA-N 0 0 391.508 4.432 40 0 GIABRN CC(C)c1ccc(CCCNC(=S)Nc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000225807634 570619903 /nfs/dbraw/zinc/61/99/03/570619903.db2.gz ACAPMXIZDMRIRQ-UHFFFAOYSA-N 0 0 383.561 4.431 40 0 GIABRN CC[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(OC)c(OC)c1 ZINC000225814313 570620645 /nfs/dbraw/zinc/62/06/45/570620645.db2.gz AKZKUANUOSBRAZ-MRXNPFEDSA-N 0 0 397.393 4.369 40 0 GIABRN COc1cccc(-c2noc(CNC(=S)Nc3ccc(F)c(Cl)c3)n2)c1 ZINC000225822353 570621611 /nfs/dbraw/zinc/62/16/11/570621611.db2.gz RNPOABFNVJJXNF-UHFFFAOYSA-N 0 0 392.843 4.024 40 0 GIABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1nnc(SCC(C)C)s1 ZINC000225828878 570622671 /nfs/dbraw/zinc/62/26/71/570622671.db2.gz GUIMXMHQMBLCIA-CQSZACIVSA-N 0 0 381.523 4.091 40 0 GIABRN O=C(NC1CCCC1)[C@@H](c1ccccc1)N(Cc1ccco1)C(=O)c1ccco1 ZINC000004240760 570622688 /nfs/dbraw/zinc/62/26/88/570622688.db2.gz WELUGPFZBLZTGD-OAQYLSRUSA-N 0 0 392.455 4.315 40 0 GIABRN CCOc1ccc(-c2noc(CNC(=S)Nc3cccc(Cl)c3)n2)cc1 ZINC000225829814 570622998 /nfs/dbraw/zinc/62/29/98/570622998.db2.gz AQYIQKLQFIPWDN-UHFFFAOYSA-N 0 0 388.880 4.275 40 0 GIABRN CCCO[C@]1(C(=O)Nc2ccc(OCC)c(C(=O)OC)c2)CCC[C@@H](C)C1 ZINC000225853324 570626608 /nfs/dbraw/zinc/62/66/08/570626608.db2.gz MDQSKKBKEZNXDQ-QVKFZJNVSA-N 0 0 377.481 4.186 40 0 GIABRN CSc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1NC(=O)C(C)C ZINC000225854064 570626970 /nfs/dbraw/zinc/62/69/70/570626970.db2.gz JIJZWHAAPFZMIW-UHFFFAOYSA-N 0 0 392.546 4.421 40 0 GIABRN CC(C)NC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCCCC2)n1 ZINC000225889442 570630781 /nfs/dbraw/zinc/63/07/81/570630781.db2.gz LBRZGQXXHXUQOZ-UHFFFAOYSA-N 0 0 385.537 4.344 40 0 GIABRN CCCO[C@]1(C(=O)Nc2ccc(OCCOCC)nc2C)CCC[C@@H](C)C1 ZINC000225911299 570632759 /nfs/dbraw/zinc/63/27/59/570632759.db2.gz ZUMMCVKIZARTTB-IIBYNOLFSA-N 0 0 378.513 4.119 40 0 GIABRN COc1ccc(CN(C)C(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)cc1 ZINC000225912429 570632825 /nfs/dbraw/zinc/63/28/25/570632825.db2.gz QQXKQKUBDYOKAB-UHFFFAOYSA-N 0 0 376.460 4.118 40 0 GIABRN COc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)cc1Cl ZINC000225920386 570633359 /nfs/dbraw/zinc/63/33/59/570633359.db2.gz WSUQWGUUCKSRGI-UHFFFAOYSA-N 0 0 379.815 4.178 40 0 GIABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Cl ZINC000044838768 570634505 /nfs/dbraw/zinc/63/45/05/570634505.db2.gz VTLZYQATKXPVMB-UHFFFAOYSA-N 0 0 393.679 4.271 40 0 GIABRN C[C@H]1CCCCN1c1cc(Cl)nc(NC(=S)NCc2ccc(F)cc2)n1 ZINC000225950999 570635901 /nfs/dbraw/zinc/63/59/01/570635901.db2.gz LFNSHYCYAUACPT-LBPRGKRZSA-N 0 0 393.919 4.135 40 0 GIABRN CC(C)Oc1ccc(NC(=O)C2(C)COC(C(C)C)OC2)cc1C(F)(F)F ZINC000225953514 570635948 /nfs/dbraw/zinc/63/59/48/570635948.db2.gz LQZYFWMJZBCOLA-UHFFFAOYSA-N 0 0 389.414 4.466 40 0 GIABRN C[C@H]1CCCCN1c1cc(C(F)(F)F)nc(NC(=S)NC2CCCC2)n1 ZINC000226006992 570638589 /nfs/dbraw/zinc/63/85/89/570638589.db2.gz NJYTYKGNCFSYLD-NSHDSACASA-N 0 0 387.475 4.103 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)cc1Cl ZINC000044883545 570638582 /nfs/dbraw/zinc/63/85/82/570638582.db2.gz XIHFDXDLEIBSJD-KRWDZBQOSA-N 0 0 379.815 4.452 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)C3CCCC3)ccc2C)cc1 ZINC000044900955 570640341 /nfs/dbraw/zinc/64/03/41/570640341.db2.gz SZZPJAJBDVHIKI-UHFFFAOYSA-N 0 0 386.517 4.119 40 0 GIABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(-n2ccnc2C)cc1 ZINC000044949604 570645343 /nfs/dbraw/zinc/64/53/43/570645343.db2.gz QEHOARXMAKNOHZ-NRFANRHFSA-N 0 0 377.488 4.271 40 0 GIABRN Cc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000004953311 570646548 /nfs/dbraw/zinc/64/65/48/570646548.db2.gz WONCAOODBUDGSR-SFHVURJKSA-N 0 0 385.920 4.388 40 0 GIABRN CC(C)c1ccc(NC(=O)NC2(C(=O)NCc3cccnc3)CCCCC2)cc1 ZINC000004927417 570649291 /nfs/dbraw/zinc/64/92/91/570649291.db2.gz JJVQFYKVXUGSAU-UHFFFAOYSA-N 0 0 394.519 4.346 40 0 GIABRN CC(C)c1ccc(C(=O)NCc2nnc(SCc3ccccc3)n2C)cc1 ZINC000005001727 570651733 /nfs/dbraw/zinc/65/17/33/570651733.db2.gz VKUOMMWZGQLFDB-UHFFFAOYSA-N 0 0 380.517 4.161 40 0 GIABRN CCOc1ccccc1NC(=O)N[C@@H](C)c1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000005001891 570652128 /nfs/dbraw/zinc/65/21/28/570652128.db2.gz VXCMCBATYLROQK-LBPRGKRZSA-N 0 0 385.855 4.407 40 0 GIABRN CCOc1ccc(NC(=O)N[C@@H](C)c2nnc(-c3ccc(Cl)cc3)[nH]2)cc1 ZINC000005001887 570652326 /nfs/dbraw/zinc/65/23/26/570652326.db2.gz MOJSNADYLOREJK-LBPRGKRZSA-N 0 0 385.855 4.407 40 0 GIABRN O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1ccc2nsnc2c1 ZINC000059294140 570653092 /nfs/dbraw/zinc/65/30/92/570653092.db2.gz UNJRDSONLGAHKP-UHFFFAOYSA-N 0 0 383.285 4.125 40 0 GIABRN CCOc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000047156176 570653288 /nfs/dbraw/zinc/65/32/88/570653288.db2.gz UZXJXFAQZYHKFE-UHFFFAOYSA-N 0 0 396.468 4.138 40 0 GIABRN COc1cccc(NC(=O)CN2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000004966404 570653879 /nfs/dbraw/zinc/65/38/79/570653879.db2.gz NXVCFCCPJFPJEK-UHFFFAOYSA-N 0 0 381.501 4.123 40 0 GIABRN CCCCOc1ccc(-c2nnn(CC(=O)Nc3cc(Cl)ccc3C)n2)cc1 ZINC000004973938 570655484 /nfs/dbraw/zinc/65/54/84/570655484.db2.gz WAHNIYDLELZCTR-UHFFFAOYSA-N 0 0 399.882 4.120 40 0 GIABRN COc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1OC ZINC000059341885 570655518 /nfs/dbraw/zinc/65/55/18/570655518.db2.gz YZPIOBBUMLCFEK-UHFFFAOYSA-N 0 0 382.460 4.019 40 0 GIABRN CCCCc1ccc(N2C[C@@H](C(=O)Nc3ccc(OCC)cc3)CC2=O)cc1 ZINC000059488489 570658233 /nfs/dbraw/zinc/65/82/33/570658233.db2.gz IGUUCCBHRFJFDE-SFHVURJKSA-N 0 0 380.488 4.420 40 0 GIABRN CCC(=O)Nc1ccc2nc(S[C@@H](C)C(=O)Nc3nccs3)sc2c1 ZINC000059489608 570658754 /nfs/dbraw/zinc/65/87/54/570658754.db2.gz LALZDMGMMRRMQP-VIFPVBQESA-N 0 0 392.531 4.221 40 0 GIABRN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2F)cc1 ZINC000005186752 570660327 /nfs/dbraw/zinc/66/03/27/570660327.db2.gz PZJAICDTVUSXJY-NWSQWKLXSA-N 0 0 383.463 4.343 40 0 GIABRN C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1F ZINC000062162392 570661865 /nfs/dbraw/zinc/66/18/65/570661865.db2.gz DTCPODOHMSIVJW-INIZCTEOSA-N 0 0 376.431 4.101 40 0 GIABRN CCOCCCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)c1ccccc1 ZINC000005980103 570666086 /nfs/dbraw/zinc/66/60/86/570666086.db2.gz PMFKNNQZDYPDTN-UHFFFAOYSA-N 0 0 392.499 4.214 40 0 GIABRN Cc1cccc(NC(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000005988544 570666474 /nfs/dbraw/zinc/66/64/74/570666474.db2.gz KYKZTLIBFCLEHX-UHFFFAOYSA-N 0 0 398.466 4.466 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@H]3c2ccccc2F)cc1 ZINC000006679273 570673594 /nfs/dbraw/zinc/67/35/94/570673594.db2.gz RFGBPHYWYDVIDS-DJJJIMSYSA-N 0 0 397.475 4.492 40 0 GIABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Cl)c(O)c(OC)c3)S2)cc1 ZINC000408776452 570682258 /nfs/dbraw/zinc/68/22/58/570682258.db2.gz OWDIXJLSBBZXHV-LZOLKVDOSA-N 0 0 390.892 4.216 40 0 GIABRN Cc1cc(N2CCCC[C@H]2C)nc(NC(=S)NCc2ccccc2Cl)n1 ZINC000260707679 570699799 /nfs/dbraw/zinc/69/97/99/570699799.db2.gz AXOUXRFSEIZSII-CQSZACIVSA-N 0 0 389.956 4.304 40 0 GIABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)nc1 ZINC000260759296 570702997 /nfs/dbraw/zinc/70/29/97/570702997.db2.gz FYBOVJHZYROGGX-UIAACRFSSA-N 0 0 375.501 4.165 40 0 GIABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1cccnc1 ZINC000260766302 570704223 /nfs/dbraw/zinc/70/42/23/570704223.db2.gz JOLBTLIYHUYHCJ-IPHXSNPTSA-N 0 0 389.528 4.473 40 0 GIABRN COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c1 ZINC000260784065 570705170 /nfs/dbraw/zinc/70/51/70/570705170.db2.gz USKPCIBNNHDMKF-GQWLDOHISA-N 0 0 390.512 4.470 40 0 GIABRN COc1cccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c1OC(C)C ZINC000260775174 570705194 /nfs/dbraw/zinc/70/51/94/570705194.db2.gz PPWNVTGPKAKARE-NIKGAXFTSA-N 0 0 383.517 4.467 40 0 GIABRN COCC[C@@H]1CCOC12CCN(C(=O)c1cc3cc(Cl)ccc3o1)CC2 ZINC000247828370 570716724 /nfs/dbraw/zinc/71/67/24/570716724.db2.gz GSVMUVDWJYHZEB-OAHLLOKOSA-N 0 0 377.868 4.134 40 0 GIABRN Cc1ccccc1[C@H]1c2c(O)n(-c3ccccc3C)c(O)c2ON1c1ccccc1 ZINC000102748747 570720615 /nfs/dbraw/zinc/72/06/15/570720615.db2.gz QOYHOFGUUCNIKW-XPWALMASSA-N 0 0 398.462 4.355 40 0 GIABRN COC(=O)c1ccccc1NC(=O)CSCc1cccc(Br)c1 ZINC000003072678 570723021 /nfs/dbraw/zinc/72/30/21/570723021.db2.gz GLHAWXRHJFESOT-UHFFFAOYSA-N 0 0 394.290 4.108 40 0 GIABRN O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc2ccccc2c1 ZINC000005318419 570732166 /nfs/dbraw/zinc/73/21/66/570732166.db2.gz GURDYRRFLSBYRI-UHFFFAOYSA-N 0 0 389.480 4.129 40 0 GIABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1 ZINC000005598798 570733933 /nfs/dbraw/zinc/73/39/33/570733933.db2.gz YYMGLLHXRAMKJI-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN Cc1ccc(C2=NN[C@@](C)([C@]3(C)NN=C(c4ccc(C)cc4)S3)S2)cc1 ZINC000005745632 570734780 /nfs/dbraw/zinc/73/47/80/570734780.db2.gz PRRHQQFNORLYJL-WOJBJXKFSA-N 0 0 382.558 4.432 40 0 GIABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C(Cl)(Cl)Cl)c2C(N)=O)C1 ZINC000005901954 570736181 /nfs/dbraw/zinc/73/61/81/570736181.db2.gz XUHSZOMSHWBYLU-SSDOTTSWSA-N 0 0 397.755 4.307 40 0 GIABRN O=C(Nc1ccccc1F)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000006343749 570740745 /nfs/dbraw/zinc/74/07/45/570740745.db2.gz OUVPCMJTHBPJBI-NRFANRHFSA-N 0 0 396.443 4.445 40 0 GIABRN COC(=O)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3Cc4ccccc4[C@H]32)cc1 ZINC000016779119 570741442 /nfs/dbraw/zinc/74/14/42/570741442.db2.gz DBNZSTWAWLVZQS-IXDOHACOSA-N 0 0 395.505 4.169 40 0 GIABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N(CC)CC)cc2C)cc1 ZINC000006629947 570748218 /nfs/dbraw/zinc/74/82/18/570748218.db2.gz HFTNEPWLILHELO-UHFFFAOYSA-N 0 0 385.533 4.367 40 0 GIABRN Cc1ccc(C(=O)Nc2ccc(I)c(C)n2)cc1Cl ZINC000006966774 570754063 /nfs/dbraw/zinc/75/40/63/570754063.db2.gz NKTXAUDZLFOWKT-UHFFFAOYSA-N 0 0 386.620 4.209 40 0 GIABRN CCCCn1nnnc1NCc1ccc(OCc2cccs2)c(OCC)c1 ZINC000007262161 570757138 /nfs/dbraw/zinc/75/71/38/570757138.db2.gz RWOIOPYTCFOZDI-UHFFFAOYSA-N 0 0 387.509 4.125 40 0 GIABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2Cl)CC1 ZINC000007496812 570759457 /nfs/dbraw/zinc/75/94/57/570759457.db2.gz YNKXENGPUGPVOV-UHFFFAOYSA-N 0 0 399.922 4.287 40 0 GIABRN O=C([O-])c1cccc(CN2CCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)c1 ZINC000257203622 570759942 /nfs/dbraw/zinc/75/99/42/570759942.db2.gz AQXCCOOWTKDWIR-FQEVSTJZSA-N 0 0 380.419 4.440 40 0 GIABRN S=c1[nH]nc(-c2ccncc2)n1NCc1cccc(OCc2ccccc2)c1 ZINC000007601863 570760772 /nfs/dbraw/zinc/76/07/72/570760772.db2.gz MDMRXLWQEZOTJZ-UHFFFAOYSA-N 0 0 389.484 4.325 40 0 GIABRN CCCc1n[nH]c(=S)n1NCc1ccc(-c2ccc(C(=O)OCC)cc2)o1 ZINC000007601425 570760874 /nfs/dbraw/zinc/76/08/74/570760874.db2.gz FJDOIKIGHSNZKS-UHFFFAOYSA-N 0 0 386.477 4.074 40 0 GIABRN C[C@@]12C[C@H]3[C@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3Cc1ccccc1C(=O)[O-] ZINC000257207525 570761188 /nfs/dbraw/zinc/76/11/88/570761188.db2.gz BIDIFTAYEYNGJA-LYVDORBWSA-N 0 0 390.527 4.101 40 0 GIABRN COCCC(=O)N[C@]1(C)C[C@H](c2cccc3ncccc32)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257208851 570761217 /nfs/dbraw/zinc/76/12/17/570761217.db2.gz BNURBFPJILOMKH-DSQRQMGKSA-N 0 0 396.531 4.412 40 0 GIABRN Cc1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccccc1F ZINC000007602737 570761379 /nfs/dbraw/zinc/76/13/79/570761379.db2.gz VQEVPGWTNUXZSR-UHFFFAOYSA-N 0 0 378.860 4.364 40 0 GIABRN COc1ccccc1-c1ccc(C2(CNC(=O)CCCn3ccnc3)CC2)cc1 ZINC000257213863 570761550 /nfs/dbraw/zinc/76/15/50/570761550.db2.gz CJJJYAWTNFZXEO-UHFFFAOYSA-N 0 0 389.499 4.187 40 0 GIABRN CCN(Cc1ccncc1)C(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1cccc(Cl)c1 ZINC000257211621 570761688 /nfs/dbraw/zinc/76/16/88/570761688.db2.gz BZOPLUBHDDVKLZ-CTNGQTDRSA-N 0 0 399.922 4.083 40 0 GIABRN O=C([O-])c1ccccc1-c1ccc(C[NH+]2CCC(Cc3ncccn3)CC2)cc1 ZINC000257218163 570762091 /nfs/dbraw/zinc/76/20/91/570762091.db2.gz DCBXNJJUWRODAH-UHFFFAOYSA-N 0 0 387.483 4.297 40 0 GIABRN O=C(CC1CCCC1)N1CCO[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257220623 570762530 /nfs/dbraw/zinc/76/25/30/570762530.db2.gz DLMPBCXPHFSTEZ-IBGZPJMESA-N 0 0 388.895 4.399 40 0 GIABRN O=C(c1ncccn1)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257223089 570763250 /nfs/dbraw/zinc/76/32/50/570763250.db2.gz DVVFLLXVFRWZDL-QGZVFWFLSA-N 0 0 382.851 4.076 40 0 GIABRN CCc1nnc2sc(-c3cccc(NC(=O)c4ccccc4Cl)c3)nn12 ZINC000008071488 570764508 /nfs/dbraw/zinc/76/45/08/570764508.db2.gz XTZRARJPZDISNW-UHFFFAOYSA-N 0 0 383.864 4.321 40 0 GIABRN O=c1cc(C(F)(F)F)nc(Nc2nc3ccccc3c(-c3ccccc3)n2)[nH]1 ZINC000008020238 570764892 /nfs/dbraw/zinc/76/48/92/570764892.db2.gz GVXQYWSTAIWYFW-UHFFFAOYSA-N 0 0 383.333 4.143 40 0 GIABRN CC(C)(C)C(=O)N1CCC(Cc2cccc(-c3cccs3)c2)(C(N)=O)CC1 ZINC000257233409 570766005 /nfs/dbraw/zinc/76/60/05/570766005.db2.gz GPDUDQWIEMFXAQ-UHFFFAOYSA-N 0 0 384.545 4.098 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N(C)c3ccccc3)ccc2C)c1 ZINC000013647214 570766511 /nfs/dbraw/zinc/76/65/11/570766511.db2.gz PHKGDDPVCBIXTF-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN CC(C)Oc1ccc(CCCNS(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000013648158 570766779 /nfs/dbraw/zinc/76/67/79/570766779.db2.gz IHOWFQMDHNXSHF-UHFFFAOYSA-N 0 0 381.925 4.179 40 0 GIABRN CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)C3CCCCC3)CCO2)n1 ZINC000257238398 570767581 /nfs/dbraw/zinc/76/75/81/570767581.db2.gz HKUXPALOCBTLNT-FQEVSTJZSA-N 0 0 383.492 4.088 40 0 GIABRN CCOc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(C)=O)cc1OC ZINC000257240456 570767957 /nfs/dbraw/zinc/76/79/57/570767957.db2.gz HTOGRKQLBZPWCZ-KKLOIMHHSA-N 0 0 387.520 4.112 40 0 GIABRN CCn1nnnc1NCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000008340169 570768179 /nfs/dbraw/zinc/76/81/79/570768179.db2.gz IVFCTWXRFSPUHI-UHFFFAOYSA-N 0 0 378.263 4.191 40 0 GIABRN Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 ZINC000008371556 570768713 /nfs/dbraw/zinc/76/87/13/570768713.db2.gz PHNJGXOTLSWXAS-CXUHLZMHSA-N 0 0 386.860 4.323 40 0 GIABRN O=C(NCc1ccccc1)c1cccc(-c2ccc(C[C@H]3CCCNC3=O)cc2)c1 ZINC000257244667 570768763 /nfs/dbraw/zinc/76/87/63/570768763.db2.gz IMHXSUUMELVHEW-HSZRJFAPSA-N 0 0 398.506 4.352 40 0 GIABRN O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000008471848 570769240 /nfs/dbraw/zinc/76/92/40/570769240.db2.gz YGOIUFFXXOIHCB-HNNXBMFYSA-N 0 0 393.270 4.155 40 0 GIABRN Cc1cc(Cc2ccccc2C)cc([C@@H]2CN(C(=O)C3CCCC3)CCO2)n1 ZINC000257247563 570769691 /nfs/dbraw/zinc/76/96/91/570769691.db2.gz IZNBIYLMNGLTTN-QHCPKHFHSA-N 0 0 378.516 4.379 40 0 GIABRN Cc1noc(C)c1-c1cnc(CC[C@H]2CCCN2C(=O)c2ccc(F)cc2)cn1 ZINC000257255481 570770962 /nfs/dbraw/zinc/77/09/62/570770962.db2.gz KHQQPSHTESIQHG-LJQANCHMSA-N 0 0 394.450 4.125 40 0 GIABRN O=C(c1ccnnc1)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257266461 570772626 /nfs/dbraw/zinc/77/26/26/570772626.db2.gz MDDNYXKIMWDOLF-SFHVURJKSA-N 0 0 382.851 4.076 40 0 GIABRN C[C@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1Oc1cccc(Cl)c1 ZINC000257270188 570773387 /nfs/dbraw/zinc/77/33/87/570773387.db2.gz MTCMKPPWPOAGCO-HKUYNNGSSA-N 0 0 380.271 4.038 40 0 GIABRN COc1ccc(OCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1 ZINC000008904132 570773996 /nfs/dbraw/zinc/77/39/96/570773996.db2.gz LGHMWZFEWCFHHR-UHFFFAOYSA-N 0 0 383.444 4.202 40 0 GIABRN COCCC(=O)N[C@@]1(C)C[C@H](c2ccc(F)c(OC)c2)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257275083 570774009 /nfs/dbraw/zinc/77/40/09/570774009.db2.gz NNVPFWSXYTZKAA-RQIBPXKTSA-N 0 0 393.499 4.012 40 0 GIABRN CC(C)[C@@H]1C[C@@]2(CCCN(C(=O)c3cc[nH]n3)C2)CO[C@H]1c1ccc(F)cc1 ZINC000257284527 570775656 /nfs/dbraw/zinc/77/56/56/570775656.db2.gz PDAUIXAZATVRKF-RCZSKKKRSA-N 0 0 385.483 4.205 40 0 GIABRN O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009908668 570777063 /nfs/dbraw/zinc/77/70/63/570777063.db2.gz GTQNXDRWPYBZIZ-UHFFFAOYSA-N 0 0 380.831 4.387 40 0 GIABRN Cc1csc(Nc2cccc([C@H]3CN(Cc4cccc(C)c4)CCO3)n2)n1 ZINC000257308004 570779436 /nfs/dbraw/zinc/77/94/36/570779436.db2.gz TVBPBKBBRCOORI-LJQANCHMSA-N 0 0 380.517 4.472 40 0 GIABRN Cc1nnsc1C(=O)N1CCC[C@H](c2cc(-c3ccccc3)cc(C)n2)C1 ZINC000257309089 570779461 /nfs/dbraw/zinc/77/94/61/570779461.db2.gz TZMWRDWGEDHGCY-KRWDZBQOSA-N 0 0 378.501 4.237 40 0 GIABRN CCc1[nH]nc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)c1C ZINC000257310661 570779993 /nfs/dbraw/zinc/77/99/93/570779993.db2.gz UFZUTGGCNXQOMM-MRXNPFEDSA-N 0 0 396.466 4.018 40 0 GIABRN CC(C)n1nccc1C(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257312983 570780036 /nfs/dbraw/zinc/78/00/36/570780036.db2.gz UQMNTVZRAWCEDH-SFHVURJKSA-N 0 0 382.439 4.159 40 0 GIABRN CCCC(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)(C(=O)N(C)C)CC1 ZINC000257321980 570781382 /nfs/dbraw/zinc/78/13/82/570781382.db2.gz WEDOZEGFJVEYKC-UHFFFAOYSA-N 0 0 392.543 4.393 40 0 GIABRN CN(c1ccc(N2CCCC2)cc1)S(=O)(=O)Cc1c(F)cccc1Cl ZINC000010113776 570782800 /nfs/dbraw/zinc/78/28/00/570782800.db2.gz GWSVOFIVPBVOIM-UHFFFAOYSA-N 0 0 382.888 4.046 40 0 GIABRN CCn1cc(CN2CCO[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)cn1 ZINC000257331701 570782990 /nfs/dbraw/zinc/78/29/90/570782990.db2.gz XTXFDTXRPRHMFY-JOCHJYFZSA-N 0 0 396.922 4.116 40 0 GIABRN CC(C)C[C@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1Oc1ccccc1 ZINC000257334666 570783492 /nfs/dbraw/zinc/78/34/92/570783492.db2.gz YGWYKTAFQVERFJ-RBBKRZOGSA-N 0 0 387.907 4.411 40 0 GIABRN COc1cccc(C(=O)N2CCC[C@@H]2c2ccc(-c3c(C)noc3C)cn2)c1 ZINC000257343274 570784514 /nfs/dbraw/zinc/78/45/14/570784514.db2.gz ZSGHPPYTDOHFDV-HXUWFJFHSA-N 0 0 377.444 4.339 40 0 GIABRN COc1cccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c1 ZINC000010314797 570787848 /nfs/dbraw/zinc/78/78/48/570787848.db2.gz QYOBYYDUPGCCND-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cccc(O)c1 ZINC000261363044 570787921 /nfs/dbraw/zinc/78/79/21/570787921.db2.gz OYFKTLOFYQQYNY-IBGZPJMESA-O 0 0 395.508 4.097 40 0 GIABRN CCc1ccc2nc(Nc3nc(C)c(Cc4ccccc4)c(=O)[nH]3)nc(C)c2c1 ZINC000010325348 570789208 /nfs/dbraw/zinc/78/92/08/570789208.db2.gz CZAOOQFKGBTCDD-UHFFFAOYSA-N 0 0 385.471 4.227 40 0 GIABRN COc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)c1 ZINC000012178912 570802759 /nfs/dbraw/zinc/80/27/59/570802759.db2.gz MYJOXMFZJQNMTL-UHFFFAOYSA-N 0 0 375.837 4.129 40 0 GIABRN Cc1cnc(Nc2cc([C@H]3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)s1 ZINC000299856360 570831487 /nfs/dbraw/zinc/83/14/87/570831487.db2.gz BOWCRFQTJJGHST-KRWDZBQOSA-N 0 0 393.516 4.313 40 0 GIABRN Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N[C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 ZINC000195529260 570843023 /nfs/dbraw/zinc/84/30/23/570843023.db2.gz RMCAGPMISDBGBY-CUXUIYPMSA-N 0 0 381.495 4.112 40 0 GIABRN COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)sc2c1CCCC2 ZINC000014006974 570875073 /nfs/dbraw/zinc/87/50/73/570875073.db2.gz CDQRTLFZCMLGAM-NSHDSACASA-N 0 0 393.892 4.473 40 0 GIABRN C[C@@H]1CC2(CCCCC2)N2c3c(cccc31)[C@]1(Nc3ccccc3C(=O)N1)C2=O ZINC000014162458 570878465 /nfs/dbraw/zinc/87/84/65/570878465.db2.gz FZDQDTFUJITGAT-OYLFLEFRSA-N 0 0 387.483 4.252 40 0 GIABRN O=C(CSCC(=O)Nc1ccccc1F)Nc1ccc(Cl)c(Cl)c1 ZINC000015411460 570885642 /nfs/dbraw/zinc/88/56/42/570885642.db2.gz QNNOTCGUCQLIQF-UHFFFAOYSA-N 0 0 387.263 4.443 40 0 GIABRN Cc1cccc(C(C)C)c1NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000014413212 570891485 /nfs/dbraw/zinc/89/14/85/570891485.db2.gz NAPZYNKEIKYFKG-UHFFFAOYSA-N 0 0 394.924 4.177 40 0 GIABRN O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000208281188 570892301 /nfs/dbraw/zinc/89/23/01/570892301.db2.gz LOKKODGZGUPOQH-NTUHNPAUSA-N 0 0 396.852 4.216 40 0 GIABRN CCCc1cc(C(=O)NC[C@H]2CC[C@H](c3n[nH]cc3-c3ccncc3)CC2)no1 ZINC000257235231 570892779 /nfs/dbraw/zinc/89/27/79/570892779.db2.gz GWZHHQNHDMKECN-JCNLHEQBSA-N 0 0 393.491 4.116 40 0 GIABRN CCCC[C@H](CC)C(=O)OCCCNC(=O)[C@H](C)OC(=O)[C@@H](CC)CCCC ZINC000004429843 570896531 /nfs/dbraw/zinc/89/65/31/570896531.db2.gz PIVXTLFIOLOFOJ-FHWLQOOXSA-N 0 0 399.572 4.400 40 0 GIABRN CC(C)(C)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 ZINC000015052780 570901482 /nfs/dbraw/zinc/90/14/82/570901482.db2.gz MAPWFKMTLRBCGX-LGMDPLHJSA-N 0 0 386.517 4.033 40 0 GIABRN CC(C)(C)C(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)C2CCC2)c2nccs2)CC1 ZINC000257306409 570905268 /nfs/dbraw/zinc/90/52/68/570905268.db2.gz SUEPABAYXIJJMJ-ZOBUZTSGSA-N 0 0 391.581 4.069 40 0 GIABRN Cc1ccc(CC(=O)NC[C@H]2CC[C@H](c3n[nH]cc3-c3ccncc3)CC2)cc1 ZINC000257322905 570907736 /nfs/dbraw/zinc/90/77/36/570907736.db2.gz WHYGDJNWNLUUJO-XUTJKUGGSA-N 0 0 388.515 4.413 40 0 GIABRN CC(=O)OCC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]2(C)C1=O ZINC000257349073 570910315 /nfs/dbraw/zinc/91/03/15/570910315.db2.gz LGXCVDCRXUSHST-LVDYIGTLSA-N 0 0 390.520 4.073 40 0 GIABRN O=S(=O)(Nc1cc(C(F)(F)F)ccc1F)c1cccc(Br)c1 ZINC000107083144 570911972 /nfs/dbraw/zinc/91/19/72/570911972.db2.gz BQCVAXUVOGTYCK-UHFFFAOYSA-N 0 0 398.175 4.408 40 0 GIABRN Cc1ccc(N2C(=N)S[C@@H](Cc3ccc(Br)cc3)C2=O)cc1 ZINC000004539864 570913185 /nfs/dbraw/zinc/91/31/85/570913185.db2.gz YNUHLAVXVKSCMS-HNNXBMFYSA-N 0 0 375.291 4.383 40 0 GIABRN COc1ccc(/C=C/C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc1 ZINC000017077392 570916882 /nfs/dbraw/zinc/91/68/82/570916882.db2.gz CEZVEPDPMYDOCW-JLHYYAGUSA-N 0 0 378.453 4.080 40 0 GIABRN CC(=O)O[C@@H]1C[C@H]2[C@@H](CC[C@H]3C[C@@H](O)CC[C@@]32C)[C@@H]2CC[C@H](C(C)=O)[C@]21C ZINC000118925682 570921542 /nfs/dbraw/zinc/92/15/42/570921542.db2.gz KKWSHZSKHGWKNI-NXMKUDOLSA-N 0 0 376.537 4.137 40 0 GIABRN COc1ccc(C2(C(=O)Nc3ccc(OC)c(Cl)c3)CCOCC2)cc1 ZINC000016985479 570936548 /nfs/dbraw/zinc/93/65/48/570936548.db2.gz HCYQRORUKQTDGT-UHFFFAOYSA-N 0 0 375.852 4.044 40 0 GIABRN CC(C)n1ncc2c1-c1ccccc1OC21CCN(Cc2nccs2)CC1 ZINC000306126713 570937486 /nfs/dbraw/zinc/93/74/86/570937486.db2.gz FCYLRZNNCBZLIM-UHFFFAOYSA-N 0 0 380.517 4.471 40 0 GIABRN Cc1ccc(CN2C[C@H]3[C@H](C2)c2cc(-c4ccco4)ccc2S3(=O)=O)s1 ZINC000306129572 570938888 /nfs/dbraw/zinc/93/88/88/570938888.db2.gz IHCPDSURUBLFDO-XLIONFOSSA-N 0 0 385.510 4.072 40 0 GIABRN COc1cc(Cl)ccc1C(=O)N1CCc2[nH]nc(-c3ccccc3C)c2CC1 ZINC000585110345 570939583 /nfs/dbraw/zinc/93/95/83/570939583.db2.gz HXYPGJJZQJMORB-UHFFFAOYSA-N 0 0 395.890 4.288 40 0 GIABRN Cc1nn(C)cc1/C=C1\C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@@H]1O ZINC000036612946 570942976 /nfs/dbraw/zinc/94/29/76/570942976.db2.gz YTAQORRMQHRTNQ-MEDZEMRRSA-N 0 0 378.516 4.345 40 0 GIABRN CC(C)Cn1cnc2c1C1(CC[NH+](Cc3cccnc3)CC1)Oc1ccccc1-2 ZINC000306138664 570943766 /nfs/dbraw/zinc/94/37/66/570943766.db2.gz SDVMYQAERKWCJL-UHFFFAOYSA-N 0 0 388.515 4.485 40 0 GIABRN COc1cc(-c2nnc(-c3noc4c3C[C@@H](C)CC4)o2)ccc1OC(F)F ZINC000002803833 570950500 /nfs/dbraw/zinc/95/05/00/570950500.db2.gz HXXOXPHGOSTVEM-VIFPVBQESA-N 0 0 377.347 4.126 40 0 GIABRN CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(Br)c2)cc1 ZINC000223832452 570951914 /nfs/dbraw/zinc/95/19/14/570951914.db2.gz MBLVMMWORMPBAZ-LBPRGKRZSA-N 0 0 398.322 4.060 40 0 GIABRN Cc1noc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)Cc2ccc(C)cc2)c1C ZINC000019209653 570960188 /nfs/dbraw/zinc/96/01/88/570960188.db2.gz KPBYEPHWBFGMDE-FQEVSTJZSA-N 0 0 392.503 4.297 40 0 GIABRN Cc1scc(C(=O)N2CCC(c3nnc(-c4ccc(C)nc4)o3)CC2)c1C ZINC000019215262 570961882 /nfs/dbraw/zinc/96/18/82/570961882.db2.gz XBIXVJOSQLYRBH-UHFFFAOYSA-N 0 0 382.489 4.138 40 0 GIABRN COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)c2cc3cc(C)ccc3o2)cc1 ZINC000019221351 570963525 /nfs/dbraw/zinc/96/35/25/570963525.db2.gz UNRJPFXADKDFNZ-QFIPXVFZSA-N 0 0 387.439 4.261 40 0 GIABRN Cc1noc(-c2cn[nH]c2[C@@H]2CCCCN2C(=O)Cc2cccc(C)c2)c1C ZINC000019234726 570965154 /nfs/dbraw/zinc/96/51/54/570965154.db2.gz CGERCUZDESPZIZ-IBGZPJMESA-N 0 0 378.476 4.286 40 0 GIABRN Cc1noc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)Cc2cccc(C)c2)c1C ZINC000019234735 570965174 /nfs/dbraw/zinc/96/51/74/570965174.db2.gz FVQZFWFNULDWJB-FQEVSTJZSA-N 0 0 392.503 4.297 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@@H]2CCCCN2C(=O)Cc2cccc(C)c2)on1 ZINC000019234743 570965620 /nfs/dbraw/zinc/96/56/20/570965620.db2.gz BXJSZWDRDAQCMN-FQEVSTJZSA-N 0 0 390.487 4.353 40 0 GIABRN Cc1nc2ccccc2n1C[C@H](C)C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000019286724 570970041 /nfs/dbraw/zinc/97/00/41/570970041.db2.gz KUDGKZGCUXQTDI-KBPBESRZSA-N 0 0 378.501 4.468 40 0 GIABRN Cn1ccnc1-c1nc(NCCc2ccccn2)ncc1-c1cccc(Cl)c1 ZINC000019291687 570972100 /nfs/dbraw/zinc/97/21/00/570972100.db2.gz OKSLVURAXSGQNA-UHFFFAOYSA-N 0 0 390.878 4.247 40 0 GIABRN O=C(CCOc1cccc(F)c1)N1CCC[C@@H]1c1nnc(-c2ccsc2)o1 ZINC000019294249 570973772 /nfs/dbraw/zinc/97/37/72/570973772.db2.gz VIQGKWTWUANSSC-MRXNPFEDSA-N 0 0 387.436 4.070 40 0 GIABRN O=C(c1ccn(C(F)F)n1)N(Cc1ccc(Cl)cc1)Cc1cccnc1 ZINC000019338702 570976488 /nfs/dbraw/zinc/97/64/88/570976488.db2.gz BACKPVOYWIPHGU-UHFFFAOYSA-N 0 0 376.794 4.169 40 0 GIABRN O=C(NCCc1ccc(Cl)cc1)c1cc(-c2cccnc2)c2cnccc2n1 ZINC000019340435 570977025 /nfs/dbraw/zinc/97/70/25/570977025.db2.gz HLKFABJXABQWAS-UHFFFAOYSA-N 0 0 388.858 4.318 40 0 GIABRN O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 ZINC000004571972 570984424 /nfs/dbraw/zinc/98/44/24/570984424.db2.gz CEZHKGMCOSMLSG-KNLSSUFOSA-N 0 0 383.831 4.268 40 0 GIABRN COc1cccc(C(=O)N2CCC(C(=O)Nc3cccc(Cl)c3C)CC2)c1 ZINC000242827782 570985911 /nfs/dbraw/zinc/98/59/11/570985911.db2.gz FOPHVHRTJGVSOH-UHFFFAOYSA-N 0 0 386.879 4.148 40 0 GIABRN COc1ccccc1/C=C/C(=O)Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000000941543 570986153 /nfs/dbraw/zinc/98/61/53/570986153.db2.gz JJKNYLPKXNWFBU-XNTDXEJSSA-N 0 0 399.402 4.115 40 0 GIABRN CC(C)n1c(CN2CCC(n3c4ccccc4oc3=O)CC2)nc2ccccc21 ZINC000019454741 570986585 /nfs/dbraw/zinc/98/65/85/570986585.db2.gz BRLGTBAKKPTTQA-UHFFFAOYSA-N 0 0 390.487 4.362 40 0 GIABRN C[C@@H](CC(=O)N1CCC(c2onc3c2C[C@H](C(C)(C)C)CC3)CC1)n1ccnc1 ZINC000019455116 570986597 /nfs/dbraw/zinc/98/65/97/570986597.db2.gz CDHIAGYAFZYRON-FUHWJXTLSA-N 0 0 398.551 4.379 40 0 GIABRN C[C@H](CNC(=O)CCn1c(-c2ccncc2)cc2cccnc21)c1ccccc1 ZINC000019456451 570987285 /nfs/dbraw/zinc/98/72/85/570987285.db2.gz RVANGNUNNPHIKC-GOSISDBHSA-N 0 0 384.483 4.408 40 0 GIABRN CCOC(=O)c1ccc(Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1 ZINC000001443907 570987620 /nfs/dbraw/zinc/98/76/20/570987620.db2.gz HTJLDNZGRYAZPG-UHFFFAOYSA-N 0 0 384.435 4.289 40 0 GIABRN O=C(COC(=O)CSc1nc2ccccc2o1)Nc1ccc2ccccc2c1 ZINC000002785425 570989545 /nfs/dbraw/zinc/98/95/45/570989545.db2.gz GWSONLRKIIDSTE-UHFFFAOYSA-N 0 0 392.436 4.255 40 0 GIABRN Cc1cc(Br)c(-c2nc3ncccc3o2)c(Br)c1N ZINC000008702053 570990936 /nfs/dbraw/zinc/99/09/36/570990936.db2.gz VBDAUIFDAVAVOX-UHFFFAOYSA-N 0 0 383.043 4.305 40 0 GIABRN CCC(=O)N1CC[C@](Cc2ccccc2-c2cccc(C)c2)(C(=O)NC(C)C)C1 ZINC000019498455 570990969 /nfs/dbraw/zinc/99/09/69/570990969.db2.gz RVWGSGHBXCMTNY-RUZDIDTESA-N 0 0 392.543 4.358 40 0 GIABRN COc1ccc([C@@H]2CCCN2C(=O)CCc2ccc3c(c2)C[C@@H](C)O3)c(OC)c1 ZINC000019498123 570990997 /nfs/dbraw/zinc/99/09/97/570990997.db2.gz OTMGMGZQQUDIHG-IERDGZPVSA-N 0 0 395.499 4.324 40 0 GIABRN CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)CC)C1 ZINC000019498594 570991106 /nfs/dbraw/zinc/99/11/06/570991106.db2.gz XCHRWVNHZBARQW-DEOSSOPVSA-N 0 0 378.516 4.051 40 0 GIABRN COC(=O)C=C1Nc2ccccc2C(c2ccccc2)(c2ccccc2)N1C(C)=O ZINC000004629403 570992607 /nfs/dbraw/zinc/99/26/07/570992607.db2.gz NJXNFMQIYNJDFK-HAVVHWLPSA-N 0 0 398.462 4.267 40 0 GIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)CCc2cccnc2)cc1OC ZINC000019561370 571006095 /nfs/dbraw/zinc/00/60/95/571006095.db2.gz NXIMRGNMTGBKIG-VSQYNUGQSA-N 0 0 394.515 4.120 40 0 GIABRN Cc1cc2[nH]c(CCC(=O)NCCc3nc4cc(Cl)ccc4[nH]3)nc2c(C)c1 ZINC000019568406 571009316 /nfs/dbraw/zinc/00/93/16/571009316.db2.gz KWEBDXRDJLJOKD-UHFFFAOYSA-N 0 0 395.894 4.001 40 0 GIABRN COc1ncc(C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cn1 ZINC000019572068 571010180 /nfs/dbraw/zinc/01/01/80/571010180.db2.gz DTELNQKRLLLLEO-UHFFFAOYSA-N 0 0 395.271 4.092 40 0 GIABRN CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)C2CC2)C1 ZINC000019578771 571012785 /nfs/dbraw/zinc/01/27/85/571012785.db2.gz MJTYMDXPZGBJPT-HSZRJFAPSA-N 0 0 396.556 4.065 40 0 GIABRN CN(C)c1cc(C[C@H](NC(=O)C2CCCC2)c2ccccc2)nc(C2CC2)n1 ZINC000019584249 571014821 /nfs/dbraw/zinc/01/48/21/571014821.db2.gz DBFHREIWUGQGMN-FQEVSTJZSA-N 0 0 378.520 4.010 40 0 GIABRN CCOc1ccccc1-c1ccccc1NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000019659748 571025505 /nfs/dbraw/zinc/02/55/05/571025505.db2.gz JEKGCOPNOLCHCR-MRXNPFEDSA-N 0 0 380.488 4.338 40 0 GIABRN Cc1cccc(C2(C(=O)NCCc3nc(C(C)(C)C)cs3)CCOCC2)c1 ZINC000019662198 571026150 /nfs/dbraw/zinc/02/61/50/571026150.db2.gz MGTRIVIHZZTQBR-UHFFFAOYSA-N 0 0 386.561 4.156 40 0 GIABRN Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(-c2ccccn2)nc2ccc(C)cc21 ZINC000019665133 571027360 /nfs/dbraw/zinc/02/73/60/571027360.db2.gz JXWOASIDMNMJRD-HNNXBMFYSA-N 0 0 385.471 4.138 40 0 GIABRN O=C(CCc1cccc(Cl)c1)N1CCC[C@H]1c1ccc(-c2cncnc2)cn1 ZINC000019688975 571028508 /nfs/dbraw/zinc/02/85/08/571028508.db2.gz XQQFFBTVFSGRQB-NRFANRHFSA-N 0 0 392.890 4.488 40 0 GIABRN CN(C)c1nc2ccccc2cc1CNc1ccc([C@H]2CCc3nncn3C2)cc1 ZINC000019699132 571031074 /nfs/dbraw/zinc/03/10/74/571031074.db2.gz HCANTQDIDRAHJE-IBGZPJMESA-N 0 0 398.514 4.234 40 0 GIABRN Cc1nc([C@@H]2CCCCN2C(C)C)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019703714 571031541 /nfs/dbraw/zinc/03/15/41/571031541.db2.gz DCAOKELIFCMJJO-FQEVSTJZSA-N 0 0 378.520 4.200 40 0 GIABRN Cn1c(CCC(=O)NCc2ccccc2N2CCCC2)nc2cc(Cl)ccc21 ZINC000019714200 571035684 /nfs/dbraw/zinc/03/56/84/571035684.db2.gz MADNWFWPYFCUFN-UHFFFAOYSA-N 0 0 396.922 4.076 40 0 GIABRN C[C@@H]1Cc2cc(CN(C)C(=O)c3cc(-n4cccn4)ccc3Cl)ccc2O1 ZINC000019715140 571036755 /nfs/dbraw/zinc/03/67/55/571036755.db2.gz ACFBMEFVXBSZNZ-CQSZACIVSA-N 0 0 381.863 4.121 40 0 GIABRN O=C(Cc1csc(-c2ccccc2)n1)Nc1cnn(Cc2cccc(F)c2)c1 ZINC000019715095 571036909 /nfs/dbraw/zinc/03/69/09/571036909.db2.gz HFAGTMLKKRNJQO-UHFFFAOYSA-N 0 0 392.459 4.375 40 0 GIABRN Cc1ccc([C@@]2(O)CCN(C(=O)c3cc(-c4ccccc4Cl)no3)C2)cc1 ZINC000019716802 571038703 /nfs/dbraw/zinc/03/87/03/571038703.db2.gz VZFGSUQPQQGICY-OAQYLSRUSA-N 0 0 382.847 4.037 40 0 GIABRN CC(C)c1nc2ccccc2n1[C@H](C)C(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000019718191 571041229 /nfs/dbraw/zinc/04/12/29/571041229.db2.gz HRGINZFWHGYDHW-CYBMUJFWSA-N 0 0 394.504 4.216 40 0 GIABRN Cc1nccn1Cc1cccc(NC(=O)c2cc(-c3cccc(F)c3)no2)c1 ZINC000019718152 571041255 /nfs/dbraw/zinc/04/12/55/571041255.db2.gz SPJVEAULZVWUKA-UHFFFAOYSA-N 0 0 376.391 4.286 40 0 GIABRN Cc1cc(NC(=O)COC(=O)c2ccc(Cl)cc2)ccc1Br ZINC000003512301 817475013 /nfs/dbraw/zinc/47/50/13/817475013.db2.gz GBZDLLJMFZWPPT-UHFFFAOYSA-N 0 0 382.641 4.206 40 0 GIABRN COc1ccc(/C=C2\SC(=O)N(CNc3ccc(C)cc3)C2=O)c(OC)c1 ZINC000003658801 817494262 /nfs/dbraw/zinc/49/42/62/817494262.db2.gz DIOJGGPLMNYBQL-ZDLGFXPLSA-N 0 0 384.457 4.118 40 0 GIABRN CC[C@@H](C)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000004019089 817497399 /nfs/dbraw/zinc/49/73/99/817497399.db2.gz VUDPZINYFLDCFP-WDBKCZKBSA-N 0 0 384.377 4.211 40 0 GIABRN O=C(CN1c2ccccc2C(=O)C1=O)N1c2ccccc2Sc2ccccc21 ZINC000005948280 817631657 /nfs/dbraw/zinc/63/16/57/817631657.db2.gz ALTWJMBEIWJYLG-UHFFFAOYSA-N 0 0 386.432 4.045 40 0 GIABRN COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cccc(O)c1 ZINC000006307900 817674770 /nfs/dbraw/zinc/67/47/70/817674770.db2.gz PMNSXACWWICITG-DHDCSXOGSA-N 0 0 387.794 4.062 40 0 GIABRN CCCN1C(=O)S/C(=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)C1=O ZINC000006323952 817676230 /nfs/dbraw/zinc/67/62/30/817676230.db2.gz YIRNWALCAZAEQI-QGOAFFKASA-N 0 0 397.452 4.361 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1ccco1 ZINC000006362302 817682757 /nfs/dbraw/zinc/68/27/57/817682757.db2.gz GHYBITGSTUKKRK-UHFFFAOYSA-N 0 0 392.436 4.486 40 0 GIABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2C)c1 ZINC000006553283 817704618 /nfs/dbraw/zinc/70/46/18/817704618.db2.gz DZGBIASDMXTUOH-UHFFFAOYSA-N 0 0 386.517 4.039 40 0 GIABRN CCCCOc1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1OCC ZINC000006651759 817715763 /nfs/dbraw/zinc/71/57/63/817715763.db2.gz FMNJRPOSJNCOFO-RGEXLXHISA-N 0 0 394.471 4.357 40 0 GIABRN COc1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)o2)cc1 ZINC000006736584 817717623 /nfs/dbraw/zinc/71/76/23/817717623.db2.gz MUAVIROGCSEXDD-UHFFFAOYSA-N 0 0 389.864 4.053 40 0 GIABRN CC[C@H](OC(=O)c1cccc(I)c1)C(=O)c1ccccc1 ZINC000006933859 817727401 /nfs/dbraw/zinc/72/74/01/817727401.db2.gz NWRFWEAMTFHRPD-HNNXBMFYSA-N 0 0 394.208 4.110 40 0 GIABRN CCCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccc(Cl)cc1 ZINC000006948104 817728626 /nfs/dbraw/zinc/72/86/26/817728626.db2.gz HZMSPAFESOSALI-UHFFFAOYSA-N 0 0 390.896 4.010 40 0 GIABRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)ccc1OC ZINC000006960350 817728982 /nfs/dbraw/zinc/72/89/82/817728982.db2.gz LUHDFHCKHFZIRC-YBFXNURJSA-N 0 0 394.452 4.202 40 0 GIABRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(O[C@@H](C)CC)cc2)C1=O ZINC000007078268 817754676 /nfs/dbraw/zinc/75/46/76/817754676.db2.gz UAVQZERGUJBFEX-KWTCJJERSA-N 0 0 391.489 4.242 40 0 GIABRN O=[N+]([O-])c1ccc(-n2cccc2CN=Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000007911478 817956215 /nfs/dbraw/zinc/95/62/15/817956215.db2.gz UFYWNHGACIIIOQ-SSDVNMTOSA-N 0 0 375.310 4.245 40 0 GIABRN CCOc1ccccc1N1C[C@H](C(=O)Oc2ccc(C(C)(C)C)cc2)CC1=O ZINC000007929363 817962859 /nfs/dbraw/zinc/96/28/59/817962859.db2.gz HEJROHKBRFZRRI-MRXNPFEDSA-N 0 0 381.472 4.341 40 0 GIABRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(Br)cc3)CC2=O)cc1C ZINC000007929215 817962871 /nfs/dbraw/zinc/96/28/71/817962871.db2.gz RQJIAVJZQLTEHT-CQSZACIVSA-N 0 0 388.261 4.024 40 0 GIABRN CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cc(C)cc(C)c1 ZINC000007939853 817965291 /nfs/dbraw/zinc/96/52/91/817965291.db2.gz HGZYSEHWVRKECY-UHFFFAOYSA-N 0 0 396.487 4.157 40 0 GIABRN COC(=O)c1c2c(sc1NC(=O)[C@H](C)Oc1ccc(C)cc1C)CCCC2 ZINC000008041644 817988582 /nfs/dbraw/zinc/98/85/82/817988582.db2.gz RZAKOQUJDDJVME-AWEZNQCLSA-N 0 0 387.501 4.436 40 0 GIABRN CCc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)C(C(=O)OC)=C2C)cc1 ZINC000008085650 817996424 /nfs/dbraw/zinc/99/64/24/817996424.db2.gz KXVSZPLKHLGHCG-ZHZULCJRSA-N 0 0 377.440 4.135 40 0 GIABRN COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Cl)cccc2Cl)cc1 ZINC000008092318 817998993 /nfs/dbraw/zinc/99/89/93/817998993.db2.gz HWLJZGXBCBWLQR-FMIVXFBMSA-N 0 0 375.211 4.326 40 0 GIABRN COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccccc1F ZINC000008113906 818002067 /nfs/dbraw/zinc/00/20/67/818002067.db2.gz MOCNMFCOHPHXDR-PDGQHHTCSA-N 0 0 394.446 4.379 40 0 GIABRN Cc1c(Cl)cccc1NC(=O)COc1ccc(C(=S)N2CCCC2)cc1 ZINC000008278367 818028609 /nfs/dbraw/zinc/02/86/09/818028609.db2.gz NHMXIXBDWZWPKD-UHFFFAOYSA-N 0 0 388.920 4.437 40 0 GIABRN O=C1C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)NC(=S)N1C1CCCCC1 ZINC000015281194 818305641 /nfs/dbraw/zinc/30/56/41/818305641.db2.gz JKYKGZKQLOTYCX-VBKFSLOCSA-N 0 0 397.456 4.245 40 0 GIABRN N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)NC[C@H]1CCCO1 ZINC000016437546 818442217 /nfs/dbraw/zinc/44/22/17/818442217.db2.gz DUHAVQBZCVQWCG-BRADTZPFSA-N 0 0 391.254 4.456 40 0 GIABRN COc1cccc(-c2ccc([C@@H]3CN(Cc4ccccc4F)CCO3)nc2)c1 ZINC000019692365 818598873 /nfs/dbraw/zinc/59/88/73/818598873.db2.gz FBYBSEKBVAQNKU-QHCPKHFHSA-N 0 0 378.447 4.470 40 0 GIABRN CCc1cc(C(=O)N2CCO[C@@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)on1 ZINC000019693610 818600053 /nfs/dbraw/zinc/60/00/53/818600053.db2.gz GDUORFPWWHNKSH-HXUWFJFHSA-N 0 0 397.862 4.166 40 0 GIABRN CCn1cc(CN2CCO[C@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)cn1 ZINC000019693617 818600062 /nfs/dbraw/zinc/60/00/62/818600062.db2.gz NLOUMFHMGCLQFB-NRFANRHFSA-N 0 0 382.895 4.192 40 0 GIABRN CCN(C(=O)c1cc2cc(OC)ccc2o1)[C@H]1CN(C(C)=O)C2(C1)CCCCC2 ZINC000019704190 818600658 /nfs/dbraw/zinc/60/06/58/818600658.db2.gz ZWUUOADTYWQKEZ-GOSISDBHSA-N 0 0 398.503 4.227 40 0 GIABRN CC(C)(C)C(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)(C(N)=O)CC1 ZINC000019700414 818600907 /nfs/dbraw/zinc/60/09/07/818600907.db2.gz HZEPOFXJESCASJ-UHFFFAOYSA-N 0 0 378.516 4.036 40 0 GIABRN O=C(CCc1ccccc1)N1CC[C@H](c2cc(COc3ccc(F)cc3)n[nH]2)C1 ZINC000019704566 818601887 /nfs/dbraw/zinc/60/18/87/818601887.db2.gz QMXRZGYERLMNGS-SFHVURJKSA-N 0 0 393.462 4.077 40 0 GIABRN c1ccc(CCn2nnnc2[C@H](c2ccccc2)N2CCc3ccccc3C2)cc1 ZINC000020120933 818614658 /nfs/dbraw/zinc/61/46/58/818614658.db2.gz NUAXDAUIDXZWKJ-DEOSSOPVSA-N 0 0 395.510 4.064 40 0 GIABRN O=C(NCCc1ccccc1)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000020246635 818617504 /nfs/dbraw/zinc/61/75/04/818617504.db2.gz QSSOMPSFACNBFO-UHFFFAOYSA-N 0 0 387.483 4.023 40 0 GIABRN Cc1ccc(NC(=O)C[C@@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)nc1 ZINC000021530331 818700726 /nfs/dbraw/zinc/70/07/26/818700726.db2.gz JKVQLZJBJRUQME-FQEVSTJZSA-N 0 0 389.430 4.255 40 0 GIABRN Cc1ccc([C@H](CC(=O)Nc2ccc(C)cn2)N2Cc3ccccc3C2=O)cc1 ZINC000021530690 818700827 /nfs/dbraw/zinc/70/08/27/818700827.db2.gz IIDKNAFKHJJBQV-NRFANRHFSA-N 0 0 385.467 4.424 40 0 GIABRN COc1ccc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2)cc1 ZINC000032340888 820921161 /nfs/dbraw/zinc/92/11/61/820921161.db2.gz IGBKECKNXQLNJJ-AWEZNQCLSA-N 0 0 379.909 4.166 40 0 GIABRN Cc1ccc(N([C@@H](C)C(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)cc1C ZINC000033731425 821059563 /nfs/dbraw/zinc/05/95/63/821059563.db2.gz NARNUXMNQNYCHC-KRWDZBQOSA-N 0 0 396.512 4.250 40 0 GIABRN Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccccc3F)o2)c1 ZINC000216034300 222575162 /nfs/dbraw/zinc/57/51/62/222575162.db2.gz AIKDWSRKPASBCE-UHFFFAOYSA-N 0 0 387.436 4.135 40 0 GIABRN CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000216394852 222576418 /nfs/dbraw/zinc/57/64/18/222576418.db2.gz UXUHRGLBIVHJKX-GFCCVEGCSA-N 0 0 395.240 4.260 40 0 GIABRN COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc32)cc1 ZINC000219039261 222592334 /nfs/dbraw/zinc/59/23/34/222592334.db2.gz WCQJHBQOIPTJEF-IAGOWNOFSA-N 0 0 379.456 4.199 40 0 GIABRN CC[C@H](Oc1ccccc1Cl)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000219322634 222594628 /nfs/dbraw/zinc/59/46/28/222594628.db2.gz XDLXMQOGPHLGKW-INIZCTEOSA-N 0 0 385.851 4.206 40 0 GIABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1nc(-c2cccc(C)c2)no1 ZINC000219332975 222594700 /nfs/dbraw/zinc/59/47/00/222594700.db2.gz VWPJYUAVFXAARP-LJQANCHMSA-N 0 0 379.460 4.136 40 0 GIABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219327894 222594958 /nfs/dbraw/zinc/59/49/58/222594958.db2.gz KHHGJNMYTPGXJN-MOPGFXCFSA-N 0 0 387.451 4.410 40 0 GIABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)cc(C)c3)n2)c1 ZINC000219553618 222596358 /nfs/dbraw/zinc/59/63/58/222596358.db2.gz FXYKUYBJTJZTPK-KRWDZBQOSA-N 0 0 379.460 4.088 40 0 GIABRN CCOc1cccc(CNC(=O)CCCN2c3cccc4cccc(c34)C2=O)c1 ZINC000219469462 222596800 /nfs/dbraw/zinc/59/68/00/222596800.db2.gz NHDVNTNOFHEHGB-UHFFFAOYSA-N 0 0 388.467 4.295 40 0 GIABRN COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1OC(C)C ZINC000222572536 222608972 /nfs/dbraw/zinc/60/89/72/222608972.db2.gz BHGHHGMZLLCPLQ-VHKYSDTDSA-N 0 0 383.517 4.467 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3cc(C)cc(C)c3)s2)cc1 ZINC000222613322 222610048 /nfs/dbraw/zinc/61/00/48/222610048.db2.gz XWVGIGMDNHAGNL-AWEZNQCLSA-N 0 0 383.473 4.237 40 0 GIABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccccn3)N21 ZINC000222670745 222611779 /nfs/dbraw/zinc/61/17/79/222611779.db2.gz JKOOCAAOTJKZHR-CWFSZBLJSA-N 0 0 375.501 4.247 40 0 GIABRN O=C(CCc1nc(-c2cccs2)no1)NCc1ccc(Cl)cc1Cl ZINC000007955232 230858857 /nfs/dbraw/zinc/85/88/57/230858857.db2.gz STQBCFZFZCXYPD-UHFFFAOYSA-N 0 0 382.272 4.354 40 0 GIABRN Cc1ccc(OCc2nnc(SCc3nnc(-c4ccccc4)o3)o2)cc1 ZINC000010475588 230875420 /nfs/dbraw/zinc/87/54/20/230875420.db2.gz SHZBDAIDPXVAKE-UHFFFAOYSA-N 0 0 380.429 4.299 40 0 GIABRN Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cccs1 ZINC000021595659 230907900 /nfs/dbraw/zinc/90/79/00/230907900.db2.gz DKSZSQVDXYBCRZ-UHFFFAOYSA-N 0 0 385.470 4.029 40 0 GIABRN NC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)CC2CCCC2)C1 ZINC000019331631 230901186 /nfs/dbraw/zinc/90/11/86/230901186.db2.gz AFYKZYUCFBVGDY-HSZRJFAPSA-N 0 0 396.556 4.242 40 0 GIABRN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccccc2)CC1 ZINC000151760981 231026820 /nfs/dbraw/zinc/02/68/20/231026820.db2.gz WJXOQCRIGBZWAX-UHFFFAOYSA-N 0 0 391.298 4.162 40 0 GIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 ZINC000222886373 222618099 /nfs/dbraw/zinc/61/80/99/222618099.db2.gz WGQWCPHNKMHPLA-PMACEKPBSA-N 0 0 380.492 4.394 40 0 GIABRN Cc1cccc(CN2C(=O)S/C(=C\c3coc4ccccc4c3=O)C2=O)c1 ZINC000106705172 231018401 /nfs/dbraw/zinc/01/84/01/231018401.db2.gz GBKIMKCYNUELKX-ZDLGFXPLSA-N 0 0 377.421 4.338 40 0 GIABRN Cc1cc(C)nc(SCC(=O)Nc2c(C)cc(Br)cc2C)n1 ZINC000408545001 231056520 /nfs/dbraw/zinc/05/65/20/231056520.db2.gz WTRNPVMOQJAKNJ-UHFFFAOYSA-N 0 0 380.311 4.204 40 0 GIABRN Cc1ccccc1C1(NC(=S)Nc2ccc(C(=O)N(C)C)cc2)CCCC1 ZINC000225871302 231036128 /nfs/dbraw/zinc/03/61/28/231036128.db2.gz LKLJGAGXCMQVHO-UHFFFAOYSA-N 0 0 381.545 4.453 40 0 GIABRN CCn1c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2n(CC)c1=O ZINC000408528994 231051883 /nfs/dbraw/zinc/05/18/83/231051883.db2.gz GPXVLAOTXXURHP-UHFFFAOYSA-N 0 0 378.259 4.402 40 0 GIABRN CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)N1CCCCC1 ZINC000408560225 231060733 /nfs/dbraw/zinc/06/07/33/231060733.db2.gz FKUFQONCHDUBEJ-UHFFFAOYSA-N 0 0 394.544 4.147 40 0 GIABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCC(C)CC2)cc1 ZINC000408680545 231094686 /nfs/dbraw/zinc/09/46/86/231094686.db2.gz ZYUHNVJIVMMGSY-UHFFFAOYSA-N 0 0 376.456 4.056 40 0 GIABRN COc1c(Br)cc(Br)cc1C(=O)Nc1ccccc1 ZINC000408623281 231085295 /nfs/dbraw/zinc/08/52/95/231085295.db2.gz SGACKAZOWSNGKS-UHFFFAOYSA-N 0 0 385.055 4.473 40 0 GIABRN O=C(NC(=S)Nc1ccc(Br)cc1F)c1cccc(Cl)c1 ZINC000408624839 231086178 /nfs/dbraw/zinc/08/61/78/231086178.db2.gz CKYKNGPVUFHKQL-UHFFFAOYSA-N 0 0 387.661 4.368 40 0 GIABRN O=C(Nc1ccc(I)cc1F)c1cc2ccccc2o1 ZINC000408624055 231086614 /nfs/dbraw/zinc/08/66/14/231086614.db2.gz WZCKLAGMCRFGSO-UHFFFAOYSA-N 0 0 381.144 4.429 40 0 GIABRN O=C1/C(=C\c2ccncc2)N=C(c2ccccc2Cl)N1c1ccc(O)cc1 ZINC000408843816 231120875 /nfs/dbraw/zinc/12/08/75/231120875.db2.gz SMVFIOSHYFPGDN-CPNJWEJPSA-N 0 0 375.815 4.275 40 0 GIABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1NC(c2ccccc2)=CS1 ZINC000408909244 231129813 /nfs/dbraw/zinc/12/98/13/231129813.db2.gz GTDPAVQZHWGPMD-VOJFVSQTSA-N 0 0 395.311 4.496 40 0 GIABRN O=S(=O)(NCCSCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000408907814 231128546 /nfs/dbraw/zinc/12/85/46/231128546.db2.gz SNMYGBHSTZSWOK-UHFFFAOYSA-N 0 0 376.330 4.205 40 0 GIABRN COc1ccc(CCCC(=O)N[C@H]2NC(c3ccccc3)=C(C)S2)c(C)c1 ZINC000408914612 231130164 /nfs/dbraw/zinc/13/01/64/231130164.db2.gz OKDCWPRXTROVGA-QFIPXVFZSA-N 0 0 382.529 4.451 40 0 GIABRN O=S(=O)(NCCSCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000408923662 231132325 /nfs/dbraw/zinc/13/23/25/231132325.db2.gz ZPVARMYGMASGTG-UHFFFAOYSA-N 0 0 376.330 4.205 40 0 GIABRN CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1ccccc1Cl ZINC000409152105 231172119 /nfs/dbraw/zinc/17/21/19/231172119.db2.gz DJJHYEDWGKDWGN-BBRMVZONSA-N 0 0 392.956 4.405 40 0 GIABRN Cc1cccc(OCc2nn(CC(=O)Nc3cccc(F)c3C)c(=S)o2)c1 ZINC000409152859 231172272 /nfs/dbraw/zinc/17/22/72/231172272.db2.gz KGIXIQNTXYFRPH-UHFFFAOYSA-N 0 0 387.436 4.179 40 0 GIABRN Cc1cccc(OCc2nn(CC(=O)Nc3c(C)cccc3C)c(=S)o2)c1 ZINC000409154424 231172375 /nfs/dbraw/zinc/17/23/75/231172375.db2.gz AOTIRUJGUYKBRS-UHFFFAOYSA-N 0 0 383.473 4.349 40 0 GIABRN Cc1ccc(OCc2nn(CC(=O)Nc3cc(F)ccc3C)c(=S)o2)cc1 ZINC000409164027 231173654 /nfs/dbraw/zinc/17/36/54/231173654.db2.gz BHZQTPVXLSGFKB-UHFFFAOYSA-N 0 0 387.436 4.179 40 0 GIABRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O ZINC000409154840 231172815 /nfs/dbraw/zinc/17/28/15/231172815.db2.gz PEMBJMGCZVGEJL-MHWRWJLKSA-N 0 0 384.432 4.118 40 0 GIABRN Cc1cccc(OCc2nn(CC(=O)Nc3ccc(Cl)cc3)c(=S)o2)c1 ZINC000409161050 231172899 /nfs/dbraw/zinc/17/28/99/231172899.db2.gz SVRXXFQDSFXZEI-UHFFFAOYSA-N 0 0 389.864 4.385 40 0 GIABRN Cc1ccc(-n2cccc2/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 ZINC000409075482 231155157 /nfs/dbraw/zinc/15/51/57/231155157.db2.gz WDFJBCUYNOGGAO-DEDYPNTBSA-N 0 0 375.403 4.018 40 0 GIABRN COc1ccc2ccc(OC)c(/C=C3\NC(=O)N(C4CCCCC4)C3=O)c2c1 ZINC000409087510 231157363 /nfs/dbraw/zinc/15/73/63/231157363.db2.gz CUDXIWXYUHVRJG-UYRXBGFRSA-N 0 0 380.444 4.082 40 0 GIABRN Cc1cccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)c1 ZINC000409175635 231174856 /nfs/dbraw/zinc/17/48/56/231174856.db2.gz TZRCKRCFPNRIIQ-UHFFFAOYSA-N 0 0 383.473 4.305 40 0 GIABRN Cc1cccc(OCc2nn(CC(=O)Nc3ccc(C)c(C)c3)c(=S)o2)c1 ZINC000409171078 231174891 /nfs/dbraw/zinc/17/48/91/231174891.db2.gz XYPDHXUSDMZURY-UHFFFAOYSA-N 0 0 383.473 4.349 40 0 GIABRN Cc1s/c(=N\C(=O)c2ccco2)n(C)c1-c1ccc(Br)cc1 ZINC000409196988 231178429 /nfs/dbraw/zinc/17/84/29/231178429.db2.gz ZBNQHTLSZJMGOT-VLGSPTGOSA-N 0 0 377.263 4.159 40 0 GIABRN O=C(CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O)Nc1cccc(F)c1 ZINC000409228231 231182949 /nfs/dbraw/zinc/18/29/49/231182949.db2.gz WFEYEKLMZZDZGC-OVCLIPMQSA-N 0 0 390.823 4.154 40 0 GIABRN Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)o1 ZINC000409324561 231189848 /nfs/dbraw/zinc/18/98/48/231189848.db2.gz UUEXEDBZJZVCLH-OVCLIPMQSA-N 0 0 390.848 4.225 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 ZINC000223016070 222623268 /nfs/dbraw/zinc/62/32/68/222623268.db2.gz IZLJSHZKOKPABB-HXUWFJFHSA-N 0 0 384.545 4.031 40 0 GIABRN CCc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1 ZINC000409339332 529584642 /nfs/dbraw/zinc/58/46/42/529584642.db2.gz UFUJHDDKFKGITO-PDGQHHTCSA-N 0 0 380.469 4.232 40 0 GIABRN CCc1ccc(C(=O)NC(=S)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000408628395 529601116 /nfs/dbraw/zinc/60/11/16/529601116.db2.gz SHUSDSOJWUTGPL-UHFFFAOYSA-N 0 0 378.881 4.046 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1C ZINC000223141341 222625723 /nfs/dbraw/zinc/62/57/23/222625723.db2.gz XPZCDMIMHCOWLP-MSOLQXFVSA-N 0 0 384.495 4.009 40 0 GIABRN CCc1ccc(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)cc1 ZINC000408628318 529675714 /nfs/dbraw/zinc/67/57/14/529675714.db2.gz WRDQHWVIKMUYKO-UHFFFAOYSA-N 0 0 392.480 4.063 40 0 GIABRN CCc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2CC(C)C)cc1 ZINC000409100083 529676641 /nfs/dbraw/zinc/67/66/41/529676641.db2.gz PSTIXKRHOBWLDW-UHFFFAOYSA-N 0 0 395.532 4.289 40 0 GIABRN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 ZINC000223199435 222626916 /nfs/dbraw/zinc/62/69/16/222626916.db2.gz JQSOSAYKQJKEDC-KBPBESRZSA-N 0 0 377.868 4.310 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223283484 222628509 /nfs/dbraw/zinc/62/85/09/222628509.db2.gz KBQAJPHELFIRER-LJQANCHMSA-N 0 0 398.522 4.319 40 0 GIABRN C[C@@H](NS(=O)(=O)Cc1cccc(Br)c1)c1ccc2c(c1)CCC2 ZINC000223247464 222628822 /nfs/dbraw/zinc/62/88/22/222628822.db2.gz PKAKNDXSNKMFPO-CYBMUJFWSA-N 0 0 394.334 4.118 40 0 GIABRN CCc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3F)o2)cc1 ZINC000409352060 529694982 /nfs/dbraw/zinc/69/49/82/529694982.db2.gz VZNFDCLLESSTJL-UHFFFAOYSA-N 0 0 387.436 4.081 40 0 GIABRN CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CC ZINC000223544550 222635398 /nfs/dbraw/zinc/63/53/98/222635398.db2.gz WOXSMWGBUCNZRF-QFIPXVFZSA-N 0 0 382.504 4.091 40 0 GIABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)[nH]c2C)cc1 ZINC000223748189 222642230 /nfs/dbraw/zinc/64/22/30/222642230.db2.gz VMXLOZHXJITYKR-PMACEKPBSA-N 0 0 378.501 4.212 40 0 GIABRN Cc1ccccc1CN(C(=O)CCc1ccccc1)[C@@H](C)C(=O)NC1CCCC1 ZINC000223759954 222643383 /nfs/dbraw/zinc/64/33/83/222643383.db2.gz ZISSLCABDNUEBR-FQEVSTJZSA-N 0 0 392.543 4.404 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN(C)c1ccccc1 ZINC000223996452 222648281 /nfs/dbraw/zinc/64/82/81/222648281.db2.gz QBDXAKXOCAYDBT-QHCPKHFHSA-N 0 0 380.532 4.366 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000224074975 222650468 /nfs/dbraw/zinc/65/04/68/222650468.db2.gz ASNRCVBMHUKDGR-HSZRJFAPSA-N 0 0 394.559 4.304 40 0 GIABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000224158555 222651767 /nfs/dbraw/zinc/65/17/67/222651767.db2.gz WJZOQSIPXSFFFH-JOCHJYFZSA-N 0 0 376.456 4.477 40 0 GIABRN CCCSc1nnc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)s1 ZINC000224217452 222652900 /nfs/dbraw/zinc/65/29/00/222652900.db2.gz VHZNJXSVRVTHMP-GFCCVEGCSA-N 0 0 377.535 4.325 40 0 GIABRN COC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccc3ccccc3c2)c1 ZINC000224319786 222654635 /nfs/dbraw/zinc/65/46/35/222654635.db2.gz TVIBQHYWHRZOSU-MRXNPFEDSA-N 0 0 379.456 4.192 40 0 GIABRN CCCCCNC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224334409 222654818 /nfs/dbraw/zinc/65/48/18/222654818.db2.gz DXJFGASJPLCAOQ-UHFFFAOYSA-N 0 0 394.924 4.085 40 0 GIABRN CCOc1ccc(-c2noc(CN(C)C(=O)c3ccc(OCC)c(C)c3)n2)cc1 ZINC000224415533 222655957 /nfs/dbraw/zinc/65/59/57/222655957.db2.gz GFURHZWAXXBWOX-UHFFFAOYSA-N 0 0 395.459 4.115 40 0 GIABRN COCc1cc(C(=O)Nc2ccc3sc(C(=O)OC)cc3c2)ccc1OC ZINC000224403881 222656257 /nfs/dbraw/zinc/65/62/57/222656257.db2.gz KPBZCBBNXSJKNM-UHFFFAOYSA-N 0 0 385.441 4.095 40 0 GIABRN CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1cc(C)cc(C)c1 ZINC000224530360 222657454 /nfs/dbraw/zinc/65/74/54/222657454.db2.gz CAGRYXRLWHGJLS-FQEVSTJZSA-N 0 0 383.488 4.190 40 0 GIABRN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccccc2Cl)cc1 ZINC000224546220 222657869 /nfs/dbraw/zinc/65/78/69/222657869.db2.gz QOFHKYPCYHFHFE-MOSHPQCFSA-N 0 0 394.858 4.329 40 0 GIABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CCc1ccccc1 ZINC000224674893 222660581 /nfs/dbraw/zinc/66/05/81/222660581.db2.gz NARSCYQSJLSXBJ-SFHVURJKSA-N 0 0 396.506 4.234 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000224696194 222661502 /nfs/dbraw/zinc/66/15/02/222661502.db2.gz PGSBOAGXIVISCD-SFHVURJKSA-N 0 0 396.506 4.153 40 0 GIABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000224753116 222662802 /nfs/dbraw/zinc/66/28/02/222662802.db2.gz NWNQCUMQPPLRCB-SCLBCKFNSA-N 0 0 377.868 4.392 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C ZINC000224734222 222662809 /nfs/dbraw/zinc/66/28/09/222662809.db2.gz DYTUGCMZYCQAJD-HXUWFJFHSA-N 0 0 380.532 4.098 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 ZINC000224740052 222662892 /nfs/dbraw/zinc/66/28/92/222662892.db2.gz QTHLSEDXEOCVMG-QGZVFWFLSA-N 0 0 386.923 4.134 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000224864351 222663299 /nfs/dbraw/zinc/66/32/99/222663299.db2.gz VSRCUXKFZKSDCD-UHFFFAOYSA-N 0 0 379.787 4.193 40 0 GIABRN CCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000224919455 222665099 /nfs/dbraw/zinc/66/50/99/222665099.db2.gz ABZMOBVIRDCIJO-UHFFFAOYSA-N 0 0 392.677 4.457 40 0 GIABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCN1CCCc2ccccc21 ZINC000224992080 222666232 /nfs/dbraw/zinc/66/62/32/222666232.db2.gz QQCHAVPHOIZFMY-UHFFFAOYSA-N 0 0 386.923 4.457 40 0 GIABRN CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(SC)cc1 ZINC000224975174 222666635 /nfs/dbraw/zinc/66/66/35/222666635.db2.gz WDQAJQZXHJEVRW-UHFFFAOYSA-N 0 0 386.336 4.386 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C ZINC000225043913 222667872 /nfs/dbraw/zinc/66/78/72/222667872.db2.gz YUCYSAIZCJQLJX-SFTDATJTSA-N 0 0 394.559 4.486 40 0 GIABRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)[nH]1 ZINC000225059449 222668090 /nfs/dbraw/zinc/66/80/90/222668090.db2.gz CLEZBQYZHCNUAG-LEWJYISDSA-N 0 0 391.544 4.193 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1 ZINC000225192141 222671154 /nfs/dbraw/zinc/67/11/54/222671154.db2.gz HCZJRBNDIOJWIO-QFIPXVFZSA-N 0 0 396.531 4.016 40 0 GIABRN COc1ccc(NC(=S)NCCSCc2ccc(C)cc2)c(OC)c1 ZINC000225292433 222674301 /nfs/dbraw/zinc/67/43/01/222674301.db2.gz ZFDJZDHSFRCZDA-UHFFFAOYSA-N 0 0 376.547 4.232 40 0 GIABRN CCOC(=O)c1c(NC(=O)c2ccc(OC)c(F)c2)sc2c1CCCC2 ZINC000225389352 222675966 /nfs/dbraw/zinc/67/59/66/222675966.db2.gz XJCSXSYLTYIUND-UHFFFAOYSA-N 0 0 377.437 4.204 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000225449592 222678716 /nfs/dbraw/zinc/67/87/16/222678716.db2.gz BRSNSUGVINLELR-LEWJYISDSA-N 0 0 394.559 4.220 40 0 GIABRN CC(C)Oc1ccc(CNC(=S)Nc2cccc(N3CCCC3=O)c2)cc1 ZINC000225447879 222677999 /nfs/dbraw/zinc/67/79/99/222677999.db2.gz HTTSOLQIGGACFZ-UHFFFAOYSA-N 0 0 383.517 4.087 40 0 GIABRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCC ZINC000225488190 222680033 /nfs/dbraw/zinc/68/00/33/222680033.db2.gz FROQGLXKMSWZSW-JOCHJYFZSA-N 0 0 398.522 4.482 40 0 GIABRN CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc(F)cc2C)c2ccccc2O1 ZINC000225591562 222685479 /nfs/dbraw/zinc/68/54/79/222685479.db2.gz UMGFUQWVZCEUOH-QGZVFWFLSA-N 0 0 377.481 4.495 40 0 GIABRN Cc1ccccc1-c1noc(CNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)n1 ZINC000225638036 222687930 /nfs/dbraw/zinc/68/79/30/222687930.db2.gz AYKHDAKPDYJXFW-INIZCTEOSA-N 0 0 391.471 4.008 40 0 GIABRN CCOc1cc(CNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)ccc1OC ZINC000225660871 222689100 /nfs/dbraw/zinc/68/91/00/222689100.db2.gz HYCXSHLXZIHNIL-MRXNPFEDSA-N 0 0 383.488 4.056 40 0 GIABRN COc1cccc(-c2nnsc2C(=O)Nc2cccc(Br)c2)c1 ZINC000225765905 222695067 /nfs/dbraw/zinc/69/50/67/222695067.db2.gz ZANYYLBRAJPQFV-UHFFFAOYSA-N 0 0 390.262 4.229 40 0 GIABRN CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1C(=O)OCC ZINC000225792980 222697760 /nfs/dbraw/zinc/69/77/60/222697760.db2.gz XECPZYGFHALVOA-NRFANRHFSA-N 0 0 379.497 4.432 40 0 GIABRN CCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1C(=O)OCC ZINC000225810664 222698680 /nfs/dbraw/zinc/69/86/80/222698680.db2.gz HPNGMLBJYUOLFJ-UHFFFAOYSA-N 0 0 377.481 4.186 40 0 GIABRN CN(C)C(=O)c1ccc(NC(=S)NCCCc2cccc3ccccc32)cc1 ZINC000225809420 222698755 /nfs/dbraw/zinc/69/87/55/222698755.db2.gz IBZFZOQARJYVQQ-UHFFFAOYSA-N 0 0 391.540 4.461 40 0 GIABRN CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000225967610 222704488 /nfs/dbraw/zinc/70/44/88/222704488.db2.gz RXAAUIREMPJXRM-UHFFFAOYSA-N 0 0 387.288 4.032 40 0 GIABRN O=C(c1cccc(=O)[nH]1)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257254783 222764974 /nfs/dbraw/zinc/76/49/74/222764974.db2.gz KEQPAAXNSDZXLH-GOSISDBHSA-N 0 0 397.862 4.387 40 0 GIABRN Cc1noc(C)c1-c1cc([C@H]2CCCN2C(=O)c2c(F)cccc2F)nc(C)n1 ZINC000257289863 222769715 /nfs/dbraw/zinc/76/97/15/222769715.db2.gz QANAWIVFLVOCNP-GOSISDBHSA-N 0 0 398.413 4.312 40 0 GIABRN Cc1cccc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4F)o3)C2)n1 ZINC000257297307 222771226 /nfs/dbraw/zinc/77/12/26/222771226.db2.gz RGSMLMQMKDQHMX-QGZVFWFLSA-N 0 0 379.435 4.128 40 0 GIABRN C[C@@H]1CC[C@@H]2[C@@H](O1)c1cccc(O)c1OC21CCN(C(=O)OC(C)(C)C)CC1 ZINC000257313391 222775447 /nfs/dbraw/zinc/77/54/47/222775447.db2.gz USEMFDYEMBRVBG-KYJSFNMBSA-N 0 0 389.492 4.411 40 0 GIABRN O=C(c1cccc(=O)[nH]1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257321379 222776166 /nfs/dbraw/zinc/77/61/66/222776166.db2.gz WBKRPPZSDHNWLZ-OAHLLOKOSA-N 0 0 397.862 4.039 40 0 GIABRN CC(C)[C@@H]1C[C@@]2(CCCN2C(=O)c2ccc[nH]c2=O)CO[C@H]1c1ccc(F)cc1 ZINC000257332076 222777708 /nfs/dbraw/zinc/77/77/08/222777708.db2.gz XVQQRBLIOHECJX-JTAQYXEDSA-N 0 0 398.478 4.335 40 0 GIABRN O=C(N1CCC[C@@H](Cc2cccnc2)C1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000257333678 222778306 /nfs/dbraw/zinc/77/83/06/222778306.db2.gz YCPLTLYDVOHEQG-IBGZPJMESA-N 0 0 398.934 4.265 40 0 GIABRN Cc1ccccc1C(=O)N1CCC[C@@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 ZINC000306131533 222796213 /nfs/dbraw/zinc/79/62/13/222796213.db2.gz KIALBWFRMFDQFR-HXUWFJFHSA-N 0 0 397.482 4.120 40 0 GIABRN Nc1nc(-c2ccccc2)c(-c2ccccc2)nc1C(=O)NCc1ccccc1 ZINC000001600322 212251158 /nfs/dbraw/zinc/25/11/58/212251158.db2.gz HOFTVZFBFUBGST-UHFFFAOYSA-N 0 0 380.451 4.323 40 0 GIABRN Cc1ccccc1-n1ncc2c1ncnc2SCC(=O)OC1CCCCC1 ZINC000001346281 212237668 /nfs/dbraw/zinc/23/76/68/212237668.db2.gz USQHASBTLIQLRO-UHFFFAOYSA-N 0 0 382.489 4.092 40 0 GIABRN COc1cccc(C(=O)N(C)c2nnc(-c3ccc(Cl)cc3)s2)c1OC ZINC000001356437 212236743 /nfs/dbraw/zinc/23/67/43/212236743.db2.gz SLXMNWMWRYZPDC-UHFFFAOYSA-N 0 0 389.864 4.152 40 0 GIABRN O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)NC1CCCCC1 ZINC000000924495 212195571 /nfs/dbraw/zinc/19/55/71/212195571.db2.gz QSZUTWWWRCDOFG-UHFFFAOYSA-N 0 0 399.564 4.386 40 0 GIABRN O=C(Nc1ccc(Cl)cc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000000832260 212186452 /nfs/dbraw/zinc/18/64/52/212186452.db2.gz VIZMRIKYAGBEPP-UHFFFAOYSA-N 0 0 386.860 4.393 40 0 GIABRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)N(Cc1ccccc1)Cc1ccccc1)OC2=O ZINC000000630646 212167451 /nfs/dbraw/zinc/16/74/51/212167451.db2.gz SWKMHOXMQSEHBX-BJKOFHAPSA-N 0 0 377.484 4.337 40 0 GIABRN Cc1cc2nc(-c3cc(-n4cnnc4)ccc3O)oc2c(Br)c1C ZINC000045920595 212118418 /nfs/dbraw/zinc/11/84/18/212118418.db2.gz VNGITDUSUQTUQD-UHFFFAOYSA-N 0 0 385.221 4.160 40 0 GIABRN Cc1cc(N)cc(C)c1NC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000045890449 212119120 /nfs/dbraw/zinc/11/91/20/212119120.db2.gz AATSHHRXNUUDHV-UHFFFAOYSA-N 0 0 377.282 4.444 40 0 GIABRN Nc1nnc(-c2ccc(OCc3ccc(F)cc3Cl)c(Br)c2)o1 ZINC000216816916 212105558 /nfs/dbraw/zinc/10/55/58/212105558.db2.gz NHXNUALHFGPLBF-UHFFFAOYSA-N 0 0 398.619 4.453 40 0 GIABRN COc1cccc(CNc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)c1 ZINC000328982525 212092475 /nfs/dbraw/zinc/09/24/75/212092475.db2.gz HBEJLKBPKQWIBM-UHFFFAOYSA-N 0 0 388.515 4.353 40 0 GIABRN Oc1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)c(Cl)c1 ZINC000329066976 212095372 /nfs/dbraw/zinc/09/53/72/212095372.db2.gz YFJZHPCKTCFXQN-UHFFFAOYSA-N 0 0 395.894 4.230 40 0 GIABRN Cc1ccc(Nc2cc(-c3ccncc3)nc(NC3CC3)n2)cc1C(F)(F)F ZINC000329056738 212095210 /nfs/dbraw/zinc/09/52/10/212095210.db2.gz VUJOQILYKOVBEU-UHFFFAOYSA-N 0 0 385.393 4.028 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2cccc(Br)c2)cc(-c2cccnc2)n1 ZINC000329058964 212094967 /nfs/dbraw/zinc/09/49/67/212094967.db2.gz WECOXFOFPATVFC-ZDUSSCGKSA-N 0 0 398.308 4.099 40 0 GIABRN C[C@H](O)c1ccc2c(c1)CCN(c1cc(C3CC3)nc(NC3CCCCC3)n1)C2 ZINC000328994477 212091676 /nfs/dbraw/zinc/09/16/76/212091676.db2.gz JEHCXGAXTBQJHM-INIZCTEOSA-N 0 0 392.547 4.137 40 0 GIABRN FC(F)(F)c1ccccc1Nc1cc(-c2cccnc2)nc(NC2CCCC2)n1 ZINC000329005380 212091750 /nfs/dbraw/zinc/09/17/50/212091750.db2.gz KYHUMSGHGRVEGS-UHFFFAOYSA-N 0 0 399.420 4.499 40 0 GIABRN Cc1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)cc1F ZINC000328983289 212091772 /nfs/dbraw/zinc/09/17/72/212091772.db2.gz HFZNSTSIIPGGIY-UHFFFAOYSA-N 0 0 377.467 4.318 40 0 GIABRN FC(F)(F)c1ccccc1Nc1cc(-c2ccccn2)nc(NC2CCCC2)n1 ZINC000328983741 212091609 /nfs/dbraw/zinc/09/16/09/212091609.db2.gz HJWLQDITAXKJOQ-UHFFFAOYSA-N 0 0 399.420 4.499 40 0 GIABRN Fc1ccc(CNc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)cc1F ZINC000328956974 212091027 /nfs/dbraw/zinc/09/10/27/212091027.db2.gz AHTFXKSZUAMMHN-UHFFFAOYSA-N 0 0 395.457 4.017 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc(C2CC2)cc(N2Cc3ccccc3C(C)(C)C2)n1 ZINC000328970329 212090771 /nfs/dbraw/zinc/09/07/71/212090771.db2.gz DIWRCCJBQGRHPK-HXUWFJFHSA-N 0 0 380.536 4.081 40 0 GIABRN CC(C)c1nc(N[C@@H](CO)C(C)C)cc(N2Cc3ccccc3CC2(C)C)n1 ZINC000328971247 212090608 /nfs/dbraw/zinc/09/06/08/212090608.db2.gz DOTDMSWUBMIKBM-IBGZPJMESA-N 0 0 382.552 4.370 40 0 GIABRN CC(C)(C)Nc1nc(NC(C)(C)C)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000000847752 220462044 /nfs/dbraw/zinc/46/20/44/220462044.db2.gz AKHQZYMIJHRZMV-UHFFFAOYSA-N 0 0 389.344 4.164 40 0 GIABRN COc1ccccc1NC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1 ZINC000000892474 220464669 /nfs/dbraw/zinc/46/46/69/220464669.db2.gz PKEZCKRVGHYFHH-UHFFFAOYSA-N 0 0 384.439 4.259 40 0 GIABRN COC(=O)c1cccc(NC(=O)c2sc3nc4ccc(C)cc4cc3c2N)c1 ZINC000000933869 220468437 /nfs/dbraw/zinc/46/84/37/220468437.db2.gz YTRBDOXDZCNKBZ-UHFFFAOYSA-N 0 0 391.452 4.379 40 0 GIABRN COC(=O)c1ccc(NC(=O)CSc2nc(C(C)C)nc3ccccc32)cc1 ZINC000001342936 220486998 /nfs/dbraw/zinc/48/69/98/220486998.db2.gz PCRYONFOGGMPKO-UHFFFAOYSA-N 0 0 395.484 4.271 40 0 GIABRN Cc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)C(F)(F)F)cc1 ZINC000001346768 220490591 /nfs/dbraw/zinc/49/05/91/220490591.db2.gz WITUBSKVTXPIFZ-UHFFFAOYSA-N 0 0 388.389 4.236 40 0 GIABRN Cc1ccccc1-c1nnc(SCC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)n1C ZINC000003304353 220624666 /nfs/dbraw/zinc/62/46/66/220624666.db2.gz LGOXZMRVGXRHRS-OPAMFIHVSA-N 0 0 398.576 4.310 40 0 GIABRN O=C(Nc1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3cccs3)ccc12 ZINC000004237156 220694158 /nfs/dbraw/zinc/69/41/58/220694158.db2.gz BLASGQXRWVCFAB-JKSUJKDBSA-N 0 0 391.496 4.228 40 0 biogenic,in-vitro GIABRN CC(C)(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)Nc1ccc(Cl)cc1 ZINC000004888269 220784141 /nfs/dbraw/zinc/78/41/41/220784141.db2.gz REVQXAUCVNNTAJ-ALOPSCKCSA-N 0 0 377.916 4.420 40 0 GIABRN CC(=O)[C@]1(C)C(=O)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000005004548 220810240 /nfs/dbraw/zinc/81/02/40/220810240.db2.gz RUIBPUSBMMMVCP-GOSISDBHSA-N 0 0 377.227 4.314 40 0 GIABRN CCCCn1c(SCC(=O)Nc2ccccc2C)nc2ccccc2c1=O ZINC000005014218 220811481 /nfs/dbraw/zinc/81/14/81/220811481.db2.gz BOGWZNNOFSIJRI-UHFFFAOYSA-N 0 0 381.501 4.236 40 0 GIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NC(=O)[C@@H](C)Cn2nc(C)cc2C)cc1 ZINC000019573608 533210763 /nfs/dbraw/zinc/21/07/63/533210763.db2.gz UBRIEDXZEDMPKT-SNBNJOFPSA-N 0 0 395.547 4.233 40 0 GIABRN C[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccc(F)cc1)c1ccccc1 ZINC000006128533 220921850 /nfs/dbraw/zinc/92/18/50/220921850.db2.gz BEORCUPXPJCLGU-MRXNPFEDSA-N 0 0 392.430 4.334 40 0 GIABRN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000006515723 220938777 /nfs/dbraw/zinc/93/87/77/220938777.db2.gz NHQJBWFMCWHESV-UHFFFAOYSA-N 0 0 383.517 4.058 40 0 GIABRN O=C(Cc1ccccc1)N1CCC(C(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000006344144 220930875 /nfs/dbraw/zinc/93/08/75/220930875.db2.gz ROOGOHMWIWMXCW-UHFFFAOYSA-N 0 0 391.298 4.413 40 0 GIABRN O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(Cl)cc1 ZINC000006548161 220940388 /nfs/dbraw/zinc/94/03/88/220940388.db2.gz CUFYNJJSLLLUAT-UHFFFAOYSA-N 0 0 386.860 4.219 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@H]3c2ccc(F)cc2)cc1 ZINC000006679294 220951010 /nfs/dbraw/zinc/95/10/10/220951010.db2.gz ZJUBFXCTOUIGQR-YJYMSZOUSA-N 0 0 397.475 4.492 40 0 GIABRN O=C(COc1ccc(Br)cc1)NCc1cccc(C(F)(F)F)c1 ZINC000007755984 221009124 /nfs/dbraw/zinc/00/91/24/221009124.db2.gz CQNRIMATAKBIPV-UHFFFAOYSA-N 0 0 388.183 4.163 40 0 GIABRN Cc1ccc(Cn2ccs/c2=N\C(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC000007814493 221013310 /nfs/dbraw/zinc/01/33/10/221013310.db2.gz SFHBHRRSGZOTBA-BQHWHHKNSA-N 0 0 386.904 4.455 40 0 GIABRN Cc1c(C)c(NC(=O)COC(=O)c2ccccc2F)ccc1Br ZINC000008272730 221033845 /nfs/dbraw/zinc/03/38/45/221033845.db2.gz JZXAMQKCQFLGEI-UHFFFAOYSA-N 0 0 380.213 4.001 40 0 GIABRN Cc1cc(Br)c(NC(=O)COC(=O)c2ccccc2F)cc1C ZINC000008333832 221037821 /nfs/dbraw/zinc/03/78/21/221037821.db2.gz VEGMMGXOLPEKBP-UHFFFAOYSA-N 0 0 380.213 4.001 40 0 GIABRN O=C(CN(c1ccc2c(c1)OCCO2)C1=NCCCCC1)c1ccc(F)cc1 ZINC000008418634 221040418 /nfs/dbraw/zinc/04/04/18/221040418.db2.gz IXHGMHPLFIUSND-UHFFFAOYSA-N 0 0 382.435 4.259 40 0 GIABRN COc1ccc(CN(C(=O)Nc2ccccc2)c2nnc3n2CCCCC3)cc1 ZINC000008474592 221041784 /nfs/dbraw/zinc/04/17/84/221041784.db2.gz DWIRLLYXOUQXQH-UHFFFAOYSA-N 0 0 391.475 4.252 40 0 GIABRN [NH2+]=C1N=C(c2cc(Cl)cc(Br)c2[O-])C[C@H](c2ccccc2)N1 ZINC000008655587 221049005 /nfs/dbraw/zinc/04/90/05/221049005.db2.gz LHDPNKPECLCVAY-CYBMUJFWSA-N 0 0 378.657 4.057 40 0 GIABRN COc1cc(OC)c(C(=S)N2CCC(Cc3ccccc3)CC2)cc1OC ZINC000009189181 221073608 /nfs/dbraw/zinc/07/36/08/221073608.db2.gz LTYSCEQVVBXFIZ-UHFFFAOYSA-N 0 0 385.529 4.343 40 0 GIABRN C[C@H]1C[C@@]2(C[C@@](C)(c3csc(Nc4ccccc4Cl)n3)OC2=O)C(=O)O1 ZINC000009350430 221077921 /nfs/dbraw/zinc/07/79/21/221077921.db2.gz ULQYHZMLWOHSDY-WQRJOSILSA-N 0 0 392.864 4.024 40 0 GIABRN CSc1ccc(S(=O)(=O)NCCCc2ccc(OC(C)C)cc2)cc1 ZINC000010543366 221104985 /nfs/dbraw/zinc/10/49/85/221104985.db2.gz VZDNPDWAOYDKDE-UHFFFAOYSA-N 0 0 379.547 4.107 40 0 GIABRN O=C(CSCc1c(F)cccc1Cl)Nc1ccc(N2CCCC2=O)cc1 ZINC000010948278 221109272 /nfs/dbraw/zinc/10/92/72/221109272.db2.gz UPUBPFQSBDRAJO-UHFFFAOYSA-N 0 0 392.883 4.478 40 0 GIABRN CCN(c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1)S(C)(=O)=O ZINC000010008554 221095378 /nfs/dbraw/zinc/09/53/78/221095378.db2.gz PXHVBNTZLTYVKI-UHFFFAOYSA-N 0 0 387.288 4.032 40 0 GIABRN Cc1nn2c(nnc3c2C[C@@H](c2ccco2)CC3=O)c1-c1cccc(Cl)c1 ZINC000010156917 221098636 /nfs/dbraw/zinc/09/86/36/221098636.db2.gz WNCPXNSJQACFTR-CYBMUJFWSA-N 0 0 378.819 4.259 40 0 GIABRN CCc1cccc(CC)c1NC(=O)CCc1nc(-c2ccc(OC)cc2)no1 ZINC000011470197 221116554 /nfs/dbraw/zinc/11/65/54/221116554.db2.gz XCKIGIIXLBEDTG-UHFFFAOYSA-N 0 0 379.460 4.441 40 0 GIABRN CC(=O)C1(c2ccccc2)CCN(C(=O)c2ncoc2-c2ccc(F)cc2)CC1 ZINC000012145535 221158551 /nfs/dbraw/zinc/15/85/51/221158551.db2.gz PJWRKWJTQPYKMZ-UHFFFAOYSA-N 0 0 392.430 4.244 40 0 GIABRN O=c1[nH]cc(-c2ccccc2)cc1CNc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000012144092 221159215 /nfs/dbraw/zinc/15/92/15/221159215.db2.gz VVORRWDQTKDVGO-QFIPXVFZSA-N 0 0 376.456 4.212 40 0 GIABRN CC[C@H](C(=O)Nc1nnc(Cc2cccc(F)c2)s1)n1cnc2ccccc21 ZINC000012148323 221160261 /nfs/dbraw/zinc/16/02/61/221160261.db2.gz NWMWGNINFDXINH-MRXNPFEDSA-N 0 0 395.463 4.208 40 0 GIABRN CCc1c2cc(F)ccc2[nH]c1C(=O)N1CCC(COc2ccccn2)CC1 ZINC000012290650 221174972 /nfs/dbraw/zinc/17/49/72/221174972.db2.gz YWJBUEGWIQWKLA-UHFFFAOYSA-N 0 0 381.451 4.196 40 0 GIABRN COc1ccccc1OCCN(C)C(=O)c1cc(C)nc2c(Cl)cccc12 ZINC000012325786 221182507 /nfs/dbraw/zinc/18/25/07/221182507.db2.gz TXJJAOMGRFSBRU-UHFFFAOYSA-N 0 0 384.863 4.356 40 0 GIABRN Cc1ccc(CCC(=O)N2CCC(C(=O)c3nc4ccccc4s3)CC2)o1 ZINC000012336899 221183025 /nfs/dbraw/zinc/18/30/25/221183025.db2.gz WUXKLSQJGMPGTQ-UHFFFAOYSA-N 0 0 382.485 4.252 40 0 GIABRN O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ncoc1-c1cccs1 ZINC000012338288 221183381 /nfs/dbraw/zinc/18/33/81/221183381.db2.gz ARXLEXVXQZZVHK-UHFFFAOYSA-N 0 0 389.864 4.145 40 0 GIABRN COc1ccc(CCC(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000012183168 221162850 /nfs/dbraw/zinc/16/28/50/221162850.db2.gz DHCDELWCKAGGOC-OAQYLSRUSA-N 0 0 393.462 4.146 40 0 GIABRN Cc1nn(CCC(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)cc2)c(C)c1C ZINC000012193122 221164774 /nfs/dbraw/zinc/16/47/74/221164774.db2.gz QBFIFSUKCJBOGR-UHFFFAOYSA-N 0 0 393.443 4.358 40 0 GIABRN Cc1oc(-c2ccc(F)cc2)nc1C(=O)Nc1cnn(Cc2ccc(F)cc2)c1 ZINC000012193102 221164967 /nfs/dbraw/zinc/16/49/67/221164967.db2.gz ONSUYCCONABIDB-UHFFFAOYSA-N 0 0 394.381 4.425 40 0 GIABRN COc1ccccc1C1(NC(=O)c2c(C)onc2-c2ccncc2)CCCC1 ZINC000012197452 221166868 /nfs/dbraw/zinc/16/68/68/221166868.db2.gz OXNHRWHFIPTDPI-UHFFFAOYSA-N 0 0 377.444 4.253 40 0 GIABRN CC(C)c1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)no1 ZINC000012220461 221169605 /nfs/dbraw/zinc/16/96/05/221169605.db2.gz VEXUCXBZEHRVOJ-SFHVURJKSA-N 0 0 391.475 4.094 40 0 GIABRN Cc1ccc(C)c2nc3c(cc12)CN(CCc1ccc2c(c1)OCO2)C(=O)O3 ZINC000012236769 221172281 /nfs/dbraw/zinc/17/22/81/221172281.db2.gz FAVUMJGWIXBKQT-UHFFFAOYSA-N 0 0 376.412 4.137 40 0 GIABRN Cc1nn([C@@H](C)CC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3C2)c(C)c1C ZINC000012290174 221174180 /nfs/dbraw/zinc/17/41/80/221174180.db2.gz PHUXYHVDBOOLSV-LBPRGKRZSA-N 0 0 384.911 4.479 40 0 GIABRN Cc1cccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccco2)C4)c1 ZINC000013634300 221278382 /nfs/dbraw/zinc/27/83/82/221278382.db2.gz AMEKNEKFGJPFNX-OAHLLOKOSA-N 0 0 390.468 4.231 40 0 GIABRN CC(=O)NCCc1nc2ccccc2n1CCCOc1ccc2ccccc2c1 ZINC000013566041 221274869 /nfs/dbraw/zinc/27/48/69/221274869.db2.gz XZTDAOBZFXOSGG-UHFFFAOYSA-N 0 0 387.483 4.337 40 0 GIABRN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2cccc(F)c2)cc1 ZINC000013769389 221287947 /nfs/dbraw/zinc/28/79/47/221287947.db2.gz OBNIBOKYQKRMPN-FUPPJEDESA-N 0 0 383.463 4.343 40 0 GIABRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000013787313 221289272 /nfs/dbraw/zinc/28/92/72/221289272.db2.gz HCYCUAOHHQFOOQ-FKBYEOEOSA-N 0 0 384.435 4.046 40 0 GIABRN CC(C)CNC(=O)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000013684265 221280907 /nfs/dbraw/zinc/28/09/07/221280907.db2.gz BJJVMIJZNHGDGW-UHFFFAOYSA-N 0 0 382.504 4.387 40 0 GIABRN O=C(CCSCc1ccccc1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000013684882 221281223 /nfs/dbraw/zinc/28/12/23/221281223.db2.gz ITCFXBNCTRXYCS-UHFFFAOYSA-N 0 0 394.496 4.472 40 0 GIABRN CCc1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000013684429 221281243 /nfs/dbraw/zinc/28/12/43/221281243.db2.gz GUTRRKSLQLPUGH-UHFFFAOYSA-N 0 0 388.467 4.197 40 0 GIABRN CC[C@H](C(=O)Nc1cc(C)cc(C)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714126 221283395 /nfs/dbraw/zinc/28/33/95/221283395.db2.gz BRGRKVKNUOXSLK-GOSISDBHSA-N 0 0 394.924 4.140 40 0 GIABRN CCc1ccc(NC(=O)[C@H](CC)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000013712093 221283553 /nfs/dbraw/zinc/28/35/53/221283553.db2.gz OOJURQZANVNJMD-SFHVURJKSA-N 0 0 394.924 4.086 40 0 GIABRN CCc1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccccc3)n2C)cc1 ZINC000013849618 221291747 /nfs/dbraw/zinc/29/17/47/221291747.db2.gz WKYMPHRHRWSUKE-OAHLLOKOSA-N 0 0 396.516 4.248 40 0 GIABRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000014022865 221296829 /nfs/dbraw/zinc/29/68/29/221296829.db2.gz IRBALOQNDATZSE-NRFANRHFSA-N 0 0 392.455 4.314 40 0 GIABRN CC[C@@H](NC(=O)c1ccccc1I)c1ccc(C)cc1 ZINC000014602594 221312100 /nfs/dbraw/zinc/31/21/00/221312100.db2.gz RIIGVVWBGJEHHO-MRXNPFEDSA-N 0 0 379.241 4.481 40 0 GIABRN Cc1ccc(O)c(N(C)S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1 ZINC000015109682 221333211 /nfs/dbraw/zinc/33/32/11/221333211.db2.gz JAOHIISQPKRREU-UHFFFAOYSA-N 0 0 380.680 4.486 40 0 GIABRN COc1ccc(OC)c([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2)c1 ZINC000015378287 221334904 /nfs/dbraw/zinc/33/49/04/221334904.db2.gz NCFQYXIXZYBZER-CYBMUJFWSA-N 0 0 379.909 4.468 40 0 GIABRN Clc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3Cc3ccccc3)n2)cc1 ZINC000015675596 221338364 /nfs/dbraw/zinc/33/83/64/221338364.db2.gz WOTHYQNPWIZWCD-IBGZPJMESA-N 0 0 391.862 4.413 40 0 biogenic,in-vitro GIABRN O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(Cc2ccc(-c3ccccn3)cc2)C1 ZINC000015674128 221338456 /nfs/dbraw/zinc/33/84/56/221338456.db2.gz TWWCXDDCVKJYNH-IRLDBZIGSA-N 0 0 398.466 4.107 40 0 biogenic,in-vitro GIABRN Cc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3CC3CCCCC3)n2)cc1 ZINC000015675552 221339163 /nfs/dbraw/zinc/33/91/63/221339163.db2.gz XIUATWQWTULLRV-FQEVSTJZSA-N 0 0 377.492 4.448 40 0 biogenic,in-vitro GIABRN CCc1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000016161754 221358556 /nfs/dbraw/zinc/35/85/56/221358556.db2.gz JATLYCZOVNDIBH-UHFFFAOYSA-N 0 0 396.512 4.052 40 0 GIABRN Cc1c(S(=O)(=O)c2ccccc2)c(-c2ccccc2)c2ccccc2[n+]1[O-] ZINC000016249293 221359613 /nfs/dbraw/zinc/35/96/13/221359613.db2.gz IVRBMVFVECUXHD-UHFFFAOYSA-N 0 0 375.449 4.281 40 0 GIABRN CCN(C1CCCCC1)S(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000016780186 221370639 /nfs/dbraw/zinc/37/06/39/221370639.db2.gz KZKBVXWVZGZCHU-UHFFFAOYSA-N 0 0 390.343 4.109 40 0 GIABRN Cc1ccc(C2(SC[C@@H]([NH3+])C(=O)[O-])c3ccccc3-c3ccccc32)cc1 ZINC000016924760 221373348 /nfs/dbraw/zinc/37/33/48/221373348.db2.gz YWCIZQDYPYCAPN-OAQYLSRUSA-N 0 0 375.493 4.412 40 0 GIABRN CCOc1ccc(C(=O)NCC2(c3ccc(C)cc3)CCOCC2)cc1OCC ZINC000016970641 221374780 /nfs/dbraw/zinc/37/47/80/221374780.db2.gz VBVSZNYEGHHTKF-UHFFFAOYSA-N 0 0 397.515 4.271 40 0 GIABRN Cc1ccc([C@@H](C)C(=O)N2CCC[C@@H]2c2nc(-c3cccnc3)cc(=O)[nH]2)cc1 ZINC000019136005 221399773 /nfs/dbraw/zinc/39/97/73/221399773.db2.gz RYNIJKALDBMPJA-OXQOHEQNSA-N 0 0 388.471 4.020 40 0 GIABRN COc1ccc(CCC(=O)NCCSc2ccc(Cl)cc2)cc1OC ZINC000018205211 221390154 /nfs/dbraw/zinc/39/01/54/221390154.db2.gz KSOXDVDPIHAWQN-UHFFFAOYSA-N 0 0 379.909 4.198 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)[C@H]1CC=CCC1 ZINC000019017456 221393514 /nfs/dbraw/zinc/39/35/14/221393514.db2.gz DNHAQGWCZMXWLS-GPJHCHHRSA-N 0 0 380.532 4.128 40 0 GIABRN C[C@@H]1CCC[C@H](C)N1C(=O)NCCCCCCNC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000019075016 221394923 /nfs/dbraw/zinc/39/49/23/221394923.db2.gz HZMQHKCUGXITEE-LWYYNNOASA-N 0 0 394.604 4.492 40 0 GIABRN Cc1cc(C)c2c(C3CCN(C(=O)c4cccnc4)CC3)nn(CC(C)C)c2n1 ZINC000019118900 221397860 /nfs/dbraw/zinc/39/78/60/221397860.db2.gz TUDQCDHKCIQTBZ-UHFFFAOYSA-N 0 0 391.519 4.119 40 0 GIABRN Cc1cc(-c2cc(=O)n(CC(=O)c3ccc(Cl)cc3)nc2-c2ccco2)on1 ZINC000019121137 221398209 /nfs/dbraw/zinc/39/82/09/221398209.db2.gz ULKYZFLVUNWZEI-UHFFFAOYSA-N 0 0 395.802 4.003 40 0 GIABRN Nc1cc2ccccc2nc1[C@@H]1CCCN(C(=O)CCc2nc3ccccc3[nH]2)C1 ZINC000019376208 221411440 /nfs/dbraw/zinc/41/14/40/221411440.db2.gz NQRBVMRLLFRXAI-QGZVFWFLSA-N 0 0 399.498 4.032 40 0 GIABRN Cn1nc(C(=O)N(Cc2ccccn2)C2CCCC2)cc1-c1ccc(F)cc1 ZINC000019288726 221405040 /nfs/dbraw/zinc/40/50/40/221405040.db2.gz SLDZLOGKONDBLV-UHFFFAOYSA-N 0 0 378.451 4.206 40 0 GIABRN Cc1noc(-c2cnc(C)nc2[C@H]2CCCN2C(=O)Cc2cccc(F)c2)c1C ZINC000019558459 221425712 /nfs/dbraw/zinc/42/57/12/221425712.db2.gz UICKLCACKOCFPD-LJQANCHMSA-N 0 0 394.450 4.102 40 0 GIABRN COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NC(=O)CCCn2nc(C)cc2C)cc1 ZINC000019574210 221429381 /nfs/dbraw/zinc/42/93/81/221429381.db2.gz CGECFXGJBPSPQG-DVKRWUGUSA-N 0 0 395.547 4.377 40 0 GIABRN CCCC(=O)N1CCC[C@@](Cc2ccccc2-c2ccc(C)cc2)(C(=O)NC)C1 ZINC000019501236 221416994 /nfs/dbraw/zinc/41/69/94/221416994.db2.gz MABTUXPAGNCBFY-VWLOTQADSA-N 0 0 392.543 4.359 40 0 GIABRN CCCN1CCN(C(=O)CC)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000019503167 221417071 /nfs/dbraw/zinc/41/70/71/221417071.db2.gz YYQBLONOXZZLBV-OAQYLSRUSA-N 0 0 378.516 4.003 40 0 GIABRN COc1ccc(-n2nc(C)cc2NC(=O)c2cc(-c3cccc(F)c3)no2)cc1 ZINC000019666774 221440629 /nfs/dbraw/zinc/44/06/29/221440629.db2.gz KREPGSWZNRCLSH-UHFFFAOYSA-N 0 0 392.390 4.236 40 0 GIABRN CN(C)C(=O)c1cc([C@@H]2CCN(C(=O)CC3CCCCC3)C2)nc2ccccc21 ZINC000019761626 221451580 /nfs/dbraw/zinc/45/15/80/221451580.db2.gz MJLFLZBKHAHINT-GOSISDBHSA-N 0 0 393.531 4.223 40 0 GIABRN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1nnc(-c2ccccc2)o1 ZINC000019718275 221446731 /nfs/dbraw/zinc/44/67/31/221446731.db2.gz VJEKLDQUZSXUPB-UHFFFAOYSA-N 0 0 394.818 4.283 40 0 GIABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(Br)c2)cc1C ZINC000020029930 221468533 /nfs/dbraw/zinc/46/85/33/221468533.db2.gz VAXSBISLZHDVQC-ZDUSSCGKSA-N 0 0 398.322 4.196 40 0 GIABRN COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000020042247 221469659 /nfs/dbraw/zinc/46/96/59/221469659.db2.gz KEOSSQJCUJHKHF-UHFFFAOYSA-N 0 0 397.452 4.207 40 0 GIABRN CCn1c(SCC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)nnc1-c1ccccc1Cl ZINC000019928261 221462865 /nfs/dbraw/zinc/46/28/65/221462865.db2.gz KRHPBQUWQLJKPX-ZENOOKHLSA-N 0 0 390.940 4.015 40 0 GIABRN COc1ccc(C(C)(C)C)cc1S(=O)(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000019943685 221466080 /nfs/dbraw/zinc/46/60/80/221466080.db2.gz KABPCOQUPARZFX-UHFFFAOYSA-N 0 0 377.550 4.240 40 0 GIABRN O=C(COc1ccccc1F)Nc1cc(-c2ccc(CO)o2)ccc1Cl ZINC000020144613 221474780 /nfs/dbraw/zinc/47/47/80/221474780.db2.gz BNESWGRFVSIHNH-UHFFFAOYSA-N 0 0 375.783 4.249 40 0 GIABRN COc1cc(CNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)ccc1OC(C)C ZINC000020112242 221473155 /nfs/dbraw/zinc/47/31/55/221473155.db2.gz JDUYRGZUQGHOSX-GOSISDBHSA-N 0 0 385.504 4.491 40 0 GIABRN COc1ccc(CNC(=O)c2ccccc2CCc2ccccc2)cc1OC ZINC000020110955 221473469 /nfs/dbraw/zinc/47/34/69/221473469.db2.gz BZRSRMDHZYODOI-UHFFFAOYSA-N 0 0 375.468 4.419 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)CCc2ccc(OC)c(OC)c2)c(Cl)c1 ZINC000020492415 221493615 /nfs/dbraw/zinc/49/36/15/221493615.db2.gz IALLBUWNQCANPA-UHFFFAOYSA-N 0 0 391.851 4.105 40 0 GIABRN CCOc1ccc(CNC(=O)CSCc2ccc(F)cc2)cc1OCC ZINC000020491038 221493930 /nfs/dbraw/zinc/49/39/30/221493930.db2.gz OPKYMHDYZUDTJR-UHFFFAOYSA-N 0 0 377.481 4.173 40 0 GIABRN Cc1ccc(-n2nc3ccc(NC(=O)COc4ccc(Cl)cc4)cc3n2)cc1 ZINC000020609991 221504763 /nfs/dbraw/zinc/50/47/63/221504763.db2.gz ITVMDHWTWILCOF-UHFFFAOYSA-N 0 0 392.846 4.400 40 0 GIABRN COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)c1 ZINC000408926412 533421017 /nfs/dbraw/zinc/42/10/17/533421017.db2.gz SWNMZLFEKLRGLG-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN COc1cccc(NC(=O)c2cccc(OC(=S)N3CCC(C)CC3)c2)c1 ZINC000408721772 533613795 /nfs/dbraw/zinc/61/37/95/533613795.db2.gz LTDJWPAQXUEZPB-UHFFFAOYSA-N 0 0 384.501 4.343 40 0 GIABRN COc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)c1 ZINC000408623871 533619779 /nfs/dbraw/zinc/61/97/79/533619779.db2.gz QFBWSHNOSZFCBT-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN Cc1ccc(C)c(N(CCCC(=O)NC2CCCCCCC2)S(C)(=O)=O)c1 ZINC000408706214 533672174 /nfs/dbraw/zinc/67/21/74/533672174.db2.gz XMCXMSHEGNIKSC-UHFFFAOYSA-N 0 0 394.581 4.079 40 0 GIABRN COc1cc(OC)cc(-c2cc3nc(C)cc(N4C[C@@H](C)C[C@H](C)C4)n3n2)c1 ZINC000001340790 136193160 /nfs/dbraw/zinc/19/31/60/136193160.db2.gz KEFOUDLZSOLTGP-GJZGRUSLSA-N 0 0 380.492 4.204 40 0 GIABRN CC(C)c1ccc2[nH]c(=O)c(CNc3ccc(N4CCC[C@H](O)C4)cc3)cc2c1 ZINC000013563056 136201215 /nfs/dbraw/zinc/20/12/15/136201215.db2.gz QYVUXAQGFPACHF-QFIPXVFZSA-N 0 0 391.515 4.225 40 0 GIABRN C[C@H]1CCCN(c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCO5)cc2)C1 ZINC000013563016 136201338 /nfs/dbraw/zinc/20/13/38/136201338.db2.gz RTGJEUCBKKRFRC-HNNXBMFYSA-N 0 0 391.471 4.105 40 0 GIABRN Cc1c(C)n(C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc12 ZINC000014608341 136201685 /nfs/dbraw/zinc/20/16/85/136201685.db2.gz SQMVFZYGHPCKDW-UHFFFAOYSA-N 0 0 381.907 4.374 40 0 GIABRN COc1cc(OC)cc(-c2cc3nc(C)cc(N4C[C@H](C)C[C@H](C)C4)n3n2)c1 ZINC000018210843 136202336 /nfs/dbraw/zinc/20/23/36/136202336.db2.gz KEFOUDLZSOLTGP-GASCZTMLSA-N 0 0 380.492 4.204 40 0 GIABRN C[C@@H](Sc1nnc(N)s1)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000022737547 136202820 /nfs/dbraw/zinc/20/28/20/136202820.db2.gz WSTFRVHNXQZFHH-SNVBAGLBSA-N 0 0 386.527 4.430 40 0 GIABRN O=C(c1cn2c3c(cccc3c1=O)CCC2)N1CCC(Cc2ccccc2)CC1 ZINC000022235392 221555307 /nfs/dbraw/zinc/55/53/07/221555307.db2.gz DWWJJERZKPWOFW-UHFFFAOYSA-N 0 0 386.495 4.043 40 0 GIABRN Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1C ZINC000022529695 221562113 /nfs/dbraw/zinc/56/21/13/221562113.db2.gz GCYUFEJXODTENK-SFHVURJKSA-N 0 0 386.923 4.381 40 0 GIABRN CCCCCOc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c2ccccc12 ZINC000028251903 221673093 /nfs/dbraw/zinc/67/30/93/221673093.db2.gz KCOPOXIUENAZHR-CALCHBBNSA-N 0 0 391.533 4.207 40 0 GIABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000030869007 221706520 /nfs/dbraw/zinc/70/65/20/221706520.db2.gz UXWOZSFMRXLLTR-FQEVSTJZSA-N 0 0 380.488 4.336 40 0 GIABRN C[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccccc1 ZINC000033924386 221796853 /nfs/dbraw/zinc/79/68/53/221796853.db2.gz RLAWECAZPMPNFS-RUAUKMDKSA-N 0 0 376.481 4.396 40 0 GIABRN O=C(CSc1nc2cccnc2n1-c1ccc(F)cc1)Nc1ccccc1F ZINC000035289338 221814416 /nfs/dbraw/zinc/81/44/16/221814416.db2.gz RGWCOIMSDRWPLY-UHFFFAOYSA-N 0 0 396.422 4.430 40 0 GIABRN CC(C)c1ccc2[nH]c3nc(SCC(=O)Nc4ccccc4F)nnc3c2c1 ZINC000035290942 221815490 /nfs/dbraw/zinc/81/54/90/221815490.db2.gz OAJRJEYUZLVBIT-UHFFFAOYSA-N 0 0 395.463 4.499 40 0 GIABRN Nc1c2cc3cc4c(cc3nc2sc1C(=O)Nc1cccc(F)c1)OCO4 ZINC000035313281 221817570 /nfs/dbraw/zinc/81/75/70/221817570.db2.gz XBROFRWEOLGGHJ-UHFFFAOYSA-N 0 0 381.388 4.152 40 0 GIABRN Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)COc3ccc(Cl)cc3)cc2)n1 ZINC000035317118 221817738 /nfs/dbraw/zinc/81/77/38/221817738.db2.gz RXONUFFDEKDGFM-OAHLLOKOSA-N 0 0 383.879 4.340 40 0 GIABRN Cc1nc2sc([C@@H](c3ccc(F)c(F)c3)[NH+]3C[C@@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000036066090 221840782 /nfs/dbraw/zinc/84/07/82/221840782.db2.gz NVFLBRRDKKIXGB-XMZIXOGTSA-N 0 0 392.475 4.150 40 0 GIABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000044899892 221957206 /nfs/dbraw/zinc/95/72/06/221957206.db2.gz PFIUKXSEUGFIQY-FQEVSTJZSA-N 0 0 382.504 4.485 40 0 GIABRN COc1cccc(-c2c3c(ccn(C4CCCCCC4)c3=O)nc3ncnn32)c1 ZINC000040398242 221921978 /nfs/dbraw/zinc/92/19/78/221921978.db2.gz NXBWWDDDFIYEJY-UHFFFAOYSA-N 0 0 389.459 4.010 40 0 GIABRN CCCCCCn1ccc2nc3nc(C)nn3c(-c3ccccc3OC)c2c1=O ZINC000040398442 221921998 /nfs/dbraw/zinc/92/19/98/221921998.db2.gz AVBWAMMEDFLIPN-UHFFFAOYSA-N 0 0 391.475 4.004 40 0 GIABRN CCCOc1cc2c(cc1CN(C)Cc1nc3cc(Cl)ccc3[nH]1)OCO2 ZINC000053536566 222010770 /nfs/dbraw/zinc/01/07/70/222010770.db2.gz ABXOTVFIWKVJPF-UHFFFAOYSA-N 0 0 387.867 4.366 40 0 GIABRN COc1ccc(CCCNC(=O)COc2ccccc2C(C)(C)C)cc1OC ZINC000065090705 222100649 /nfs/dbraw/zinc/10/06/49/222100649.db2.gz DWAJIYWDAHSZTN-UHFFFAOYSA-N 0 0 385.504 4.129 40 0 GIABRN COc1c(Br)cc(Br)cc1C(=O)N1CCCC[C@@H]1C ZINC000059843525 222058425 /nfs/dbraw/zinc/05/84/25/222058425.db2.gz MNDKIRWNAZEESE-VIFPVBQESA-N 0 0 391.103 4.235 40 0 GIABRN Cc1c(F)cc(Br)c(I)c1Br ZINC000063339593 222068193 /nfs/dbraw/zinc/06/81/93/222068193.db2.gz WOYBRSFNAJHZGI-UHFFFAOYSA-N 0 0 393.819 4.264 40 0 GIABRN COc1ccc(CCCNC(=S)Nc2ccc(F)c(Cl)c2)cc1OC ZINC000064936527 222088252 /nfs/dbraw/zinc/08/82/52/222088252.db2.gz GOELZQKIYMJTPR-UHFFFAOYSA-N 0 0 382.888 4.416 40 0 GIABRN Ic1cc(I)c2ccccc2c1 ZINC000071256823 222179178 /nfs/dbraw/zinc/17/91/78/222179178.db2.gz NMNWQMBXWXLEIM-UHFFFAOYSA-N 0 0 379.966 4.049 40 0 GIABRN COc1ccc(OC)c(-c2cc(-c3cccc(Br)c3)nc(N)n2)c1 ZINC000071977660 222201646 /nfs/dbraw/zinc/20/16/46/222201646.db2.gz MREWGQRYRHNNCT-UHFFFAOYSA-N 0 0 386.249 4.173 40 0 GIABRN COc1ccc2[nH]c3c(c2c1)CCN(C[C@@H]1CCC=CO1)[C@@H]3c1cccnc1 ZINC000072341983 222231737 /nfs/dbraw/zinc/23/17/37/222231737.db2.gz IQNCEWVYHGYEEK-FDDCHVKYSA-N 0 0 375.472 4.212 40 0 GIABRN CCCC(=O)N1CCC(Cc2ccccc2-c2ccccc2C)(C(=O)NC)CC1 ZINC000072345125 222233334 /nfs/dbraw/zinc/23/33/34/222233334.db2.gz PPLWRPUEOYIDTP-UHFFFAOYSA-N 0 0 392.543 4.359 40 0 GIABRN CCCC(=O)N1CCC(Cc2cccc(-c3ccccc3)c2)(C(=O)N(C)C)CC1 ZINC000072345288 222233754 /nfs/dbraw/zinc/23/37/54/222233754.db2.gz QPGODSNIHZRIKN-UHFFFAOYSA-N 0 0 392.543 4.393 40 0 GIABRN O=C(c1cccnc1)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072349116 222235139 /nfs/dbraw/zinc/23/51/39/222235139.db2.gz LVPNFIYRJWGAGG-LJQANCHMSA-N 0 0 375.447 4.226 40 0 GIABRN Cn1ccnc1C(=O)N1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072350239 222236405 /nfs/dbraw/zinc/23/64/05/222236405.db2.gz AAOZSGQSKSBWAM-QGZVFWFLSA-N 0 0 394.906 4.079 40 0 GIABRN O=C(Cc1ccncc1)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072349441 222236432 /nfs/dbraw/zinc/23/64/32/222236432.db2.gz YOZRFFOAQPEAOS-HXUWFJFHSA-N 0 0 389.474 4.155 40 0 GIABRN Cc1n[nH]cc1C(=O)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072349752 222236869 /nfs/dbraw/zinc/23/68/69/222236869.db2.gz UIFLOACTPGYONE-INIZCTEOSA-N 0 0 380.879 4.453 40 0 GIABRN Cc1cc(N2CC[C@@H](c3c4ccccc4sc3C(=O)N(C)C)C2)nc(C)n1 ZINC000072352433 222237421 /nfs/dbraw/zinc/23/74/21/222237421.db2.gz WDBKIOHCIMCXKU-OAHLLOKOSA-N 0 0 380.517 4.004 40 0 GIABRN O=C(Cc1cccnc1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359579 222238884 /nfs/dbraw/zinc/23/88/84/222238884.db2.gz SPSUCFQTJZBTSN-SFHVURJKSA-N 0 0 392.890 4.141 40 0 GIABRN O=C(Cc1ccccc1)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072358628 222239975 /nfs/dbraw/zinc/23/99/75/222239975.db2.gz AWVCXBODQWWVMV-LJQANCHMSA-N 0 0 375.447 4.231 40 0 GIABRN COc1cccc(-c2cncc([C@H]3CCCN(C(=O)Cc4ccccc4)C3)n2)c1 ZINC000072359447 222240131 /nfs/dbraw/zinc/24/01/31/222240131.db2.gz YBPGRNRZTHAFLI-FQEVSTJZSA-N 0 0 387.483 4.101 40 0 GIABRN O=C(CN1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1)N1CCCC1 ZINC000072357653 222240140 /nfs/dbraw/zinc/24/01/40/222240140.db2.gz XFRWSXZMDFTCLD-NRFANRHFSA-N 0 0 383.923 4.085 40 0 GIABRN Cc1cc(Oc2ccccc2)nc(C2CCN(C(=O)c3cscn3)CC2)n1 ZINC000072362655 222241556 /nfs/dbraw/zinc/24/15/56/222241556.db2.gz MITPVSOLXDCAKV-UHFFFAOYSA-N 0 0 380.473 4.054 40 0 GIABRN Cc1cc(C)nc(N2CC[C@@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)n1 ZINC000072371398 222242245 /nfs/dbraw/zinc/24/22/45/222242245.db2.gz UCZLEBQJYHDJEZ-MRXNPFEDSA-N 0 0 397.910 4.085 40 0 GIABRN O=C(NC1CCCC1)c1cc([C@H]2CCCCN2CCCc2ccccc2)n[nH]1 ZINC000072380624 222243829 /nfs/dbraw/zinc/24/38/29/222243829.db2.gz UCXRTMZOGVNORI-JOCHJYFZSA-N 0 0 380.536 4.242 40 0 GIABRN Cc1nccn1-c1cccc([C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)n1 ZINC000072378989 222244164 /nfs/dbraw/zinc/24/41/64/222244164.db2.gz OROLQUONECKOOI-OAQYLSRUSA-N 0 0 388.515 4.305 40 0 GIABRN Cc1ccc(Nc2nccc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)nc1 ZINC000072377520 222244360 /nfs/dbraw/zinc/24/43/60/222244360.db2.gz NJLDPXNHXBYZJM-KRWDZBQOSA-N 0 0 391.450 4.083 40 0 GIABRN CC(C)c1nccn1-c1cccc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 ZINC000072378891 222244780 /nfs/dbraw/zinc/24/47/80/222244780.db2.gz BCXOVXGQIUOICC-FQEVSTJZSA-N 0 0 388.515 4.339 40 0 GIABRN Cc1cc(C)nc(Nc2cncc([C@H]3CCCN3Cc3ccc(F)cc3)n2)n1 ZINC000072376214 222244828 /nfs/dbraw/zinc/24/48/28/222244828.db2.gz RGKJLEOFXQDFHG-LJQANCHMSA-N 0 0 378.455 4.103 40 0 GIABRN Cc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccc(Cl)cc2)cn1 ZINC000072396981 222253429 /nfs/dbraw/zinc/25/34/29/222253429.db2.gz IQXHHTUFLPXOGF-LJQANCHMSA-N 0 0 380.879 4.096 40 0 GIABRN CCOc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Br ZINC000072414361 222256464 /nfs/dbraw/zinc/25/64/64/222256464.db2.gz LCTXHQHPMHRNPZ-UHFFFAOYSA-N 0 0 384.295 4.063 40 0 GIABRN Cc1ccc(NC(=O)c2cc(-c3cnc(N(C)C)nc3)cn2CC2CC2)cc1C ZINC000096037641 222374068 /nfs/dbraw/zinc/37/40/68/222374068.db2.gz XVAWYIOMSZQKAM-UHFFFAOYSA-N 0 0 389.503 4.290 40 0 GIABRN Cn1cnc2c1cc(C1CCN(Cc3nccs3)CC1)nc2-c1ccccc1 ZINC000096099927 222379711 /nfs/dbraw/zinc/37/97/11/222379711.db2.gz BEFQNELEUFGRHM-UHFFFAOYSA-N 0 0 389.528 4.471 40 0 GIABRN Cn1cnc2c1cc(C1CCN(C(=O)c3ccccn3)CC1)nc2-c1ccccc1 ZINC000096100450 222380130 /nfs/dbraw/zinc/38/01/30/222380130.db2.gz LQDRESXFIXRAEP-UHFFFAOYSA-N 0 0 397.482 4.050 40 0 GIABRN COCCN(C)C(=O)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1 ZINC000096154330 222391866 /nfs/dbraw/zinc/39/18/66/222391866.db2.gz REIVYKNFDZEKJQ-UHFFFAOYSA-N 0 0 395.390 4.007 40 0 GIABRN O=C(NCc1ccncc1)c1cc(-c2ccnn2C2CCCC2)n2ccccc12 ZINC000096154782 222391885 /nfs/dbraw/zinc/39/18/85/222391885.db2.gz KTTXXGFEQLCQBJ-UHFFFAOYSA-N 0 0 385.471 4.243 40 0 GIABRN O=C(NCCc1ccncc1)c1cc(-c2ccnn2C2CCCC2)n2ccccc12 ZINC000096154785 222391891 /nfs/dbraw/zinc/39/18/91/222391891.db2.gz GXGWKKDQYDOVRF-UHFFFAOYSA-N 0 0 399.498 4.285 40 0 GIABRN COc1ccc(CN2CCOC[C@H]2c2nc(-c3cccc(Cl)c3)c[nH]2)cc1 ZINC000096296205 222410751 /nfs/dbraw/zinc/41/07/51/222410751.db2.gz PBBSKKCHXCQLDB-FQEVSTJZSA-N 0 0 383.879 4.312 40 0 biogenic,in-vitro GIABRN Clc1ccccc1NC=Cc1nnnn1-c1ccc(Br)cc1 ZINC000100928545 222465249 /nfs/dbraw/zinc/46/52/49/222465249.db2.gz OBGDPJBAZYXLAI-MDZDMXLPSA-N 0 0 376.645 4.161 40 0 GIABRN CC(=O)O[C@@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC[C@@]32C)[C@@H]2CC[C@H](C(C)=O)[C@]21C ZINC000118925687 222522953 /nfs/dbraw/zinc/52/29/53/222522953.db2.gz KKWSHZSKHGWKNI-KBDIQPCYSA-N 0 0 376.537 4.137 40 0 GIABRN C[C@H](NC(=O)Oc1ccccc1)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000409004952 533704465 /nfs/dbraw/zinc/70/44/65/533704465.db2.gz YLWUFIAVRMRSES-JTQLQIEISA-N 0 0 397.656 4.218 40 0 GIABRN COc1ccc(Cl)cc1/C=C1\SC(Nc2cc(C)ccc2OC)NC1=O ZINC000408809242 533833611 /nfs/dbraw/zinc/83/36/11/533833611.db2.gz KUIKXYPQJYWUQV-UHFFFAOYSA-N 0 0 389.884 4.429 40 0 GIABRN COc1cc(CNc2cccc(C)c2C)cc(I)c1O ZINC000409117693 533913037 /nfs/dbraw/zinc/91/30/37/533913037.db2.gz LZNONTUBKWSTGZ-UHFFFAOYSA-N 0 0 383.229 4.234 40 0 GIABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1cccc(Br)c1 ZINC000008496621 533917502 /nfs/dbraw/zinc/91/75/02/533917502.db2.gz RSBRBWMRWYNDOC-UHFFFAOYSA-N 0 0 391.294 4.122 40 0 GIABRN Cc1cc(NC(=O)COC(=O)c2ccccc2F)cc(C)c1Br ZINC000408645284 533944510 /nfs/dbraw/zinc/94/45/10/533944510.db2.gz JSCAPCQQAYCYMG-UHFFFAOYSA-N 0 0 380.213 4.001 40 0 GIABRN Cc1cc2nc3s/c(=C\c4ccc(OCC(C)C)cc4)c(=O)n3c2cc1C ZINC000409394285 534133955 /nfs/dbraw/zinc/13/39/55/534133955.db2.gz YCSZLEJXKSQWSZ-JAIQZWGSSA-N 0 0 378.497 4.109 40 0 GIABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(C(=S)N2CCCC2)cc1 ZINC000409234783 534149319 /nfs/dbraw/zinc/14/93/19/534149319.db2.gz MLESBFDUVMNUBD-UHFFFAOYSA-N 0 0 388.920 4.437 40 0 GIABRN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1F ZINC000408707218 534188653 /nfs/dbraw/zinc/18/86/53/534188653.db2.gz HYCZDKTVFBQWTG-LBPRGKRZSA-N 0 0 380.341 4.145 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C(C)C)C(C)C)cc2)cc1 ZINC000113936258 534212735 /nfs/dbraw/zinc/21/27/35/534212735.db2.gz QRYCKBMZBAJADN-UHFFFAOYSA-N 0 0 388.533 4.206 40 0 GIABRN O=C(Oc1ccc(Br)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000408659270 534567273 /nfs/dbraw/zinc/56/72/73/534567273.db2.gz KLFMIIMHEHKULK-LLVKDONJSA-N 0 0 394.652 4.061 40 0 GIABRN O=C(Oc1ccccc1/C=C1/N=C(Cc2ccccc2)OC1=O)c1ccccc1 ZINC000408838844 534570135 /nfs/dbraw/zinc/57/01/35/534570135.db2.gz JDXSLRAJGBVJBL-CAPFRKAQSA-N 0 0 383.403 4.445 40 0 GIABRN Cc1ccc(CC(=O)NC[C@H]2CC[C@H](c3n[nH]cc3-c3ccncc3)CC2)cc1 ZINC000100744797 524266061 /nfs/dbraw/zinc/26/60/61/524266061.db2.gz WHYGDJNWNLUUJO-TYKWCNGQSA-N 0 0 388.515 4.413 40 0 GIABRN O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1CNc1cccc(Cl)c1 ZINC000408972878 534823377 /nfs/dbraw/zinc/82/33/77/534823377.db2.gz HFMWXSQWTCXXRQ-FRKPEAEDSA-N 0 0 388.832 4.175 40 0 GIABRN O=C1S/C(=C\c2cc(Cl)ccc2O)C(=O)N1CCOc1ccc(F)cc1 ZINC000409050864 534823553 /nfs/dbraw/zinc/82/35/53/534823553.db2.gz BOGFGLZVQDMCKU-YBEGLDIGSA-N 0 0 393.823 4.300 40 0 GIABRN O=C1S/C(=C/c2ccc(N3CCOCC3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409215450 534823588 /nfs/dbraw/zinc/82/35/88/534823588.db2.gz YZXHSXMSCHJRRD-RVDMUPIBSA-N 0 0 390.848 4.011 40 0 GIABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)ccc1C ZINC000409382863 534825233 /nfs/dbraw/zinc/82/52/33/534825233.db2.gz WRSWWBBSKWXDEI-UHFFFAOYSA-N 0 0 394.496 4.034 40 0 GIABRN Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000408627110 534826021 /nfs/dbraw/zinc/82/60/21/534826021.db2.gz KGLLMWRXEMCLPU-UHFFFAOYSA-N 0 0 397.544 4.123 40 0 GIABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)c2ccccc2)ccc1C ZINC000013670499 525272336 /nfs/dbraw/zinc/27/23/36/525272336.db2.gz KXHPJUHREFREGL-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN CC(=O)Nc1cccc(N2C(=O)c3cccc4c(N5CCCC5)ccc(c43)C2=O)c1 ZINC000408529225 527061271 /nfs/dbraw/zinc/06/12/71/527061271.db2.gz ISFHAXFKYHWOTH-UHFFFAOYSA-N 0 0 399.450 4.199 40 0 GIABRN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(C(=O)Nc3ccccc3)c1)C2=O ZINC000408721030 527896082 /nfs/dbraw/zinc/89/60/82/527896082.db2.gz CPPWTYJOQZEMGV-FDDCHVKYSA-N 0 0 376.456 4.255 40 0 GIABRN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(C(=O)Oc3ccccc3)cc1)C2=O ZINC000408722451 527896468 /nfs/dbraw/zinc/89/64/68/527896468.db2.gz UJVCCNBKROXVKT-FDDCHVKYSA-N 0 0 377.440 4.222 40 0 GIABRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc3c(c2)OCCO3)cc1 ZINC000408628933 528055072 /nfs/dbraw/zinc/05/50/72/528055072.db2.gz YIPIDDSNBUENMJ-BJMVGYQFSA-N 0 0 382.485 4.108 40 0 GIABRN CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1 ZINC000408736572 528075273 /nfs/dbraw/zinc/07/52/73/528075273.db2.gz CVFKWSOKPWCYEX-HXUWFJFHSA-N 0 0 379.460 4.100 40 0 GIABRN CCCN1C(=O)S/C(=C\c2cc(Br)c(Br)o2)C1=O ZINC000408955048 528176394 /nfs/dbraw/zinc/17/63/94/528176394.db2.gz VOBOIERXERRUEA-YVMONPNESA-N 0 0 395.072 4.251 40 0 GIABRN CCOc1cc(C(=O)Nc2ccc(OC)cc2OC)cc(Cl)c1OCC ZINC000408554330 528238467 /nfs/dbraw/zinc/23/84/67/528238467.db2.gz DEZRZYQRNJVLSO-UHFFFAOYSA-N 0 0 379.840 4.407 40 0 GIABRN CCOC(=O)c1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1cccc(OC)c1OC)N2 ZINC000409189417 528245629 /nfs/dbraw/zinc/24/56/29/528245629.db2.gz KUXCDOGXACVEKK-UIAACRFSSA-N 0 0 383.444 4.125 40 0 GIABRN CCN(CC)c1ccc(NC(=S)NC(=O)C=Cc2ccc(OC)cc2)c(C)c1 ZINC000408627939 528313877 /nfs/dbraw/zinc/31/38/77/528313877.db2.gz ONKXCIWIBPFSJH-NTEUORMPSA-N 0 0 397.544 4.376 40 0 GIABRN CCOc1ccc(CNC(=O)CSCc2ccccc2Br)cc1 ZINC000010448481 528438982 /nfs/dbraw/zinc/43/89/82/528438982.db2.gz RPVOXQYOOSCRRI-UHFFFAOYSA-N 0 0 394.334 4.397 40 0 GIABRN CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000408707850 528489079 /nfs/dbraw/zinc/48/90/79/528489079.db2.gz RMDWCXVZQMAHFV-UHFFFAOYSA-N 0 0 395.341 4.499 40 0 GIABRN CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)c(C)c2)cc1 ZINC000408585070 528565995 /nfs/dbraw/zinc/56/59/95/528565995.db2.gz BVBPDHHDJXXFEW-UHFFFAOYSA-N 0 0 391.489 4.151 40 0 GIABRN CC(C)Cn1c(SCC(=O)N2[C@H](C)CCC[C@@H]2C)nnc1-c1ccccc1 ZINC000409118298 528695822 /nfs/dbraw/zinc/69/58/22/528695822.db2.gz PPRPOPUWNRHTHX-CALCHBBNSA-N 0 0 386.565 4.483 40 0 GIABRN CCCOc1cccc(C(=O)Nc2ccc(I)c(C)n2)c1 ZINC000408620519 528734855 /nfs/dbraw/zinc/73/48/55/528734855.db2.gz GYHUMCOKFUIEOH-UHFFFAOYSA-N 0 0 396.228 4.036 40 0 GIABRN CCCOc1ccccc1C(=O)OCC(=O)c1ccc(Br)cc1 ZINC000408589001 528767766 /nfs/dbraw/zinc/76/77/66/528767766.db2.gz XSXKXAZVBYXTCT-UHFFFAOYSA-N 0 0 377.234 4.278 40 0 GIABRN CCOC(=O)COc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1 ZINC000409097665 528841460 /nfs/dbraw/zinc/84/14/60/528841460.db2.gz NSLQDWRQTCNMNO-SXGWCWSVSA-N 0 0 391.345 4.140 40 0 GIABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2cccc(C)c2C)ccc1OCC ZINC000408586344 529107317 /nfs/dbraw/zinc/10/73/17/529107317.db2.gz NPFAJRWKFRUIDE-UHFFFAOYSA-N 0 0 392.477 4.071 40 0 GIABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C ZINC000225057051 529159730 /nfs/dbraw/zinc/15/97/30/529159730.db2.gz XMGLBDGUZJDJCL-HNNXBMFYSA-N 0 0 376.865 4.050 40 0 GIABRN CC[C@H](C)Oc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1Cl ZINC000408903637 529191850 /nfs/dbraw/zinc/19/18/50/529191850.db2.gz VDJOIWLNVNDIJQ-SJWFJVLYSA-N 0 0 384.888 4.288 40 0 GIABRN CCC(C)(C)NC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)C(C)(C)O2 ZINC000004965843 535359567 /nfs/dbraw/zinc/35/95/67/535359567.db2.gz XPLSQMDFUCJDMS-UHFFFAOYSA-N 0 0 398.478 4.448 40 0 GIABRN CCCc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC[C@H](O)C4)cc3)cc2c1 ZINC000013563079 535427488 /nfs/dbraw/zinc/42/74/88/535427488.db2.gz WGUVLYWBKUMLNP-QFIPXVFZSA-N 0 0 391.515 4.054 40 0 GIABRN CC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000253505537 560037453 /nfs/dbraw/zinc/03/74/53/560037453.db2.gz XEFQRGKUCOMYSC-PFZOMXFUSA-N 0 0 388.548 4.399 40 0 biogenic,in-vitro GIABRN CC1=C[C@@H](CNC(=O)c2ccco2)[C@H](C(C)C)C[C@H]1CC(=O)Nc1ccccn1 ZINC000030882136 560089860 /nfs/dbraw/zinc/08/98/60/560089860.db2.gz CMDKPQRGARFWCS-FHWLQOOXSA-N 0 0 395.503 4.288 40 0 biogenic,in-vitro GIABRN CC1=C[C@@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1ccccc1 ZINC000030880125 560089919 /nfs/dbraw/zinc/08/99/19/560089919.db2.gz PWOLVDNLKDSJTA-VABKMULXSA-N 0 0 396.575 4.416 40 0 biogenic,in-vitro GIABRN Cc1ccc([C@@]2(O)CCN(C(=O)c3cc4cc(Cl)ccc4nc3C)C2)cc1 ZINC000019718660 570209917 /nfs/dbraw/zinc/20/99/17/570209917.db2.gz WELDGTPVOXVBRA-JOCHJYFZSA-N 0 0 380.875 4.239 40 0 GIABRN COc1ccc(-c2cc(C(=O)Nc3cccc(Cn4ccnc4C)c3)on2)cc1 ZINC000019718907 570210253 /nfs/dbraw/zinc/21/02/53/570210253.db2.gz HEDIYLRBKUPNOJ-UHFFFAOYSA-N 0 0 388.427 4.156 40 0 GIABRN Cc1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCC3)n2)cc1Cl ZINC000329019906 570213074 /nfs/dbraw/zinc/21/30/74/570213074.db2.gz NZGUNDDPZDMFTK-UHFFFAOYSA-N 0 0 379.895 4.442 40 0 GIABRN O=C(C1CCCC1)N1CCC([C@@H]2CCCCN(CCc3ccccc3)C2=O)CC1 ZINC000019744888 570213129 /nfs/dbraw/zinc/21/31/29/570213129.db2.gz DJUDCSMSDDWMSI-QHCPKHFHSA-N 0 0 396.575 4.287 40 0 GIABRN Cc1ccc(Nc2cc(-c3cccnc3)nc(N[C@H](CO)C(C)C)n2)c(Cl)c1 ZINC000329069389 570216729 /nfs/dbraw/zinc/21/67/29/570216729.db2.gz YWNUIJIHQSXLND-LJQANCHMSA-N 0 0 397.910 4.095 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccncc2)n1 ZINC000329070021 570216853 /nfs/dbraw/zinc/21/68/53/570216853.db2.gz ZCWSLWNVHULKOM-ZDUSSCGKSA-N 0 0 387.409 4.355 40 0 GIABRN CCc1cccc(NC(=O)N2CC[C@@]3(C[C@H]3C(=O)Nc3cccc(F)c3)C2)c1 ZINC000096227281 570220852 /nfs/dbraw/zinc/22/08/52/570220852.db2.gz PGDJIFZZRJJXMP-SIKLNZKXSA-N 0 0 381.451 4.271 40 0 GIABRN CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21 ZINC000096242325 570222894 /nfs/dbraw/zinc/22/28/94/570222894.db2.gz LTXYAFCMTMVIFA-LJQANCHMSA-N 0 0 394.515 4.199 40 0 GIABRN CC(C)N1c2sc(-c3ccsc3)nc2C[C@@H]1C(=O)N(C)Cc1ccccn1 ZINC000096264476 570226908 /nfs/dbraw/zinc/22/69/08/570226908.db2.gz WCPGGBYTTICXKN-QGZVFWFLSA-N 0 0 398.557 4.065 40 0 GIABRN CC(=O)N1C[C@H]2c3ccccc3CN(C(=O)c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000096268309 570228128 /nfs/dbraw/zinc/22/81/28/570228128.db2.gz XOVNXQGSYLSZSR-DQEYMECFSA-N 0 0 396.490 4.324 40 0 GIABRN Cc1cccc(-c2nnc(CSc3nnc(COc4ccccc4)o3)o2)c1 ZINC000019929081 570230559 /nfs/dbraw/zinc/23/05/59/570230559.db2.gz OWZOORGIINNKEL-UHFFFAOYSA-N 0 0 380.429 4.299 40 0 GIABRN CC(C)C(=O)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn43)n2)C1 ZINC000585262824 570231163 /nfs/dbraw/zinc/23/11/63/570231163.db2.gz JSAVZOKVIJVFMJ-HNNXBMFYSA-N 0 0 382.895 4.412 40 0 GIABRN CCc1cccc(CC)c1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000019937699 570231840 /nfs/dbraw/zinc/23/18/40/570231840.db2.gz JGTFBWXQOPOCRG-UHFFFAOYSA-N 0 0 395.890 4.396 40 0 GIABRN CC(C)c1ccc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cc1 ZINC000019937604 570231939 /nfs/dbraw/zinc/23/19/39/570231939.db2.gz PKHQDXMPNFGJJL-UHFFFAOYSA-N 0 0 381.863 4.395 40 0 GIABRN O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1cccc2ccccc21 ZINC000019937605 570232134 /nfs/dbraw/zinc/23/21/34/570232134.db2.gz PFFHKWOLXCEYHQ-UHFFFAOYSA-N 0 0 389.842 4.425 40 0 GIABRN CC(C)(C)OC(=O)N1CCC[C@@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585266090 570233119 /nfs/dbraw/zinc/23/31/19/570233119.db2.gz IHQMREZMYGHPHH-GFCCVEGCSA-N 0 0 398.385 4.265 40 0 GIABRN CC(C)(C)OC(=O)N1CCC[C@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585266091 570233200 /nfs/dbraw/zinc/23/32/00/570233200.db2.gz IHQMREZMYGHPHH-LBPRGKRZSA-N 0 0 398.385 4.265 40 0 GIABRN COC(=O)c1cc2cc(NS(=O)(=O)c3c(C)cc(C)cc3C)ccc2s1 ZINC000020029796 570235888 /nfs/dbraw/zinc/23/58/88/570235888.db2.gz AFMKVJWHIHSOBG-UHFFFAOYSA-N 0 0 389.498 4.414 40 0 GIABRN Cc1ccc(C)c(CC(=O)Nc2ccc(I)cc2C)c1 ZINC000020038902 570236678 /nfs/dbraw/zinc/23/66/78/570236678.db2.gz VJMWBTVUFILJON-UHFFFAOYSA-N 0 0 379.241 4.398 40 0 GIABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000020042965 570236999 /nfs/dbraw/zinc/23/69/99/570236999.db2.gz HSXAYZHHAWDFSO-YVWYTEFXSA-N 0 0 392.543 4.237 40 0 GIABRN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000020050713 570238001 /nfs/dbraw/zinc/23/80/01/570238001.db2.gz CYGGKBBSDJIDIE-UHFFFAOYSA-N 0 0 382.441 4.238 40 0 GIABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 ZINC000020049881 570238041 /nfs/dbraw/zinc/23/80/41/570238041.db2.gz XAGBRFZIJRUOGE-QHCPKHFHSA-N 0 0 396.531 4.045 40 0 GIABRN COc1cc(NC(=O)c2ccc(Br)o2)ccc1-c1ccc(CO)o1 ZINC000020139800 570242263 /nfs/dbraw/zinc/24/22/63/570242263.db2.gz RMGPIQXRPXXAON-UHFFFAOYSA-N 0 0 392.205 4.055 40 0 GIABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc(Cl)cc1 ZINC000020144162 570243344 /nfs/dbraw/zinc/24/33/44/570243344.db2.gz FLOJWMHLUMOCFX-UHFFFAOYSA-N 0 0 387.819 4.118 40 0 GIABRN CC(C)CCC(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 ZINC000020151365 570244387 /nfs/dbraw/zinc/24/43/87/570244387.db2.gz KOSQWMOKJITMAW-UHFFFAOYSA-N 0 0 380.897 4.342 40 0 GIABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 ZINC000020192143 570246701 /nfs/dbraw/zinc/24/67/01/570246701.db2.gz QZXGUDNQFIAABV-UHFFFAOYSA-N 0 0 380.469 4.128 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)c(C)c2)c(Cl)c1 ZINC000020458738 570259862 /nfs/dbraw/zinc/25/98/62/570259862.db2.gz USVJMTGJYCMNTN-UHFFFAOYSA-N 0 0 382.243 4.496 40 0 GIABRN COc1ccc(SCC(=O)Nc2ccc(Br)cc2)cc1OC ZINC000020458801 570259915 /nfs/dbraw/zinc/25/99/15/570259915.db2.gz DEGTVTMWPAALJR-UHFFFAOYSA-N 0 0 382.279 4.197 40 0 GIABRN Cc1cccnc1Nc1cc([C@H]2CCCN(C(=O)/C=C/c3cccnc3)C2)ccn1 ZINC000585291794 570260394 /nfs/dbraw/zinc/26/03/94/570260394.db2.gz CWDKCIZBWNQPBT-SHBDEGQCSA-N 0 0 399.498 4.343 40 0 GIABRN Cc1cccc(Nc2cc([C@@H]3CCCN(C(=O)/C=C/c4cccnc4)C3)ccn2)n1 ZINC000585292360 570261604 /nfs/dbraw/zinc/26/16/04/570261604.db2.gz HYYWQRHFEJYUOH-LCCNJJIFSA-N 0 0 399.498 4.343 40 0 GIABRN Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000020482907 570261693 /nfs/dbraw/zinc/26/16/93/570261693.db2.gz MSCJBFHJPLZKMQ-KRWDZBQOSA-N 0 0 394.496 4.287 40 0 GIABRN Cc1ccc(C(=O)N(C)C2CCCCC2)cc1NS(=O)(=O)c1ccccc1 ZINC000020482381 570261903 /nfs/dbraw/zinc/26/19/03/570261903.db2.gz YESRCLNOKUWOCW-UHFFFAOYSA-N 0 0 386.517 4.201 40 0 GIABRN O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)N1CCCCCC1 ZINC000020492740 570263388 /nfs/dbraw/zinc/26/33/88/570263388.db2.gz BKPSHGXQLNQNIX-UHFFFAOYSA-N 0 0 392.908 4.157 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc(OC)c2)c(Cl)c1 ZINC000020492597 570263417 /nfs/dbraw/zinc/26/34/17/570263417.db2.gz CNPNAHZDJQRTRJ-SFHVURJKSA-N 0 0 391.851 4.321 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)CSc2ccc(OC)cc2)cc1Cl ZINC000020494226 570263753 /nfs/dbraw/zinc/26/37/53/570263753.db2.gz JIWIMXUNRRVZTG-UHFFFAOYSA-N 0 0 379.865 4.256 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2ccc(OC)cc2)ccc1Cl ZINC000020495721 570264124 /nfs/dbraw/zinc/26/41/24/570264124.db2.gz SVNGGORYSQBHHF-GOSISDBHSA-N 0 0 391.851 4.321 40 0 GIABRN CCc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1 ZINC000020609984 570271856 /nfs/dbraw/zinc/27/18/56/570271856.db2.gz IZNXNFNEGZJEBU-UHFFFAOYSA-N 0 0 386.455 4.309 40 0 GIABRN Cc1ccc([C@@H]2CC(=O)c3cn4nc(SCCC(C)C)nc4nc3C2)cc1 ZINC000020632504 570273113 /nfs/dbraw/zinc/27/31/13/570273113.db2.gz NGVWDEXHLJFUAA-INIZCTEOSA-N 0 0 380.517 4.484 40 0 GIABRN O=C1C[C@@H](c2ccc(F)cc2)Cc2nc3nc(-c4ccc(Cl)cc4)nn3cc21 ZINC000020671438 570274479 /nfs/dbraw/zinc/27/44/79/570274479.db2.gz ZKRFGEXFYBGUOD-AWEZNQCLSA-N 0 0 392.821 4.497 40 0 GIABRN COc1ccc(-n2nc(Nc3ccccc3OC)c3c2C[C@@H](C)CC3=O)cc1 ZINC000020796902 570280634 /nfs/dbraw/zinc/28/06/34/570280634.db2.gz GOPDMXMLKJVFPT-CQSZACIVSA-N 0 0 377.444 4.398 40 0 GIABRN COc1ccccc1NC(=O)CSc1nc2cc(Br)ccc2[nH]1 ZINC000020765298 570282886 /nfs/dbraw/zinc/28/28/86/570282886.db2.gz MZUAIKHJEPMHGR-UHFFFAOYSA-N 0 0 392.278 4.065 40 0 GIABRN Cc1ccccc1NC(=O)CSc1nc2cc(Br)ccc2[nH]1 ZINC000020765238 570282972 /nfs/dbraw/zinc/28/29/72/570282972.db2.gz KKICTYUYJGAONV-UHFFFAOYSA-N 0 0 376.279 4.365 40 0 GIABRN O=C(CSc1nc2cc(Br)ccc2[nH]1)Nc1ccc(F)cc1 ZINC000020765250 570282988 /nfs/dbraw/zinc/28/29/88/570282988.db2.gz XUUYMCRXZUAOSX-UHFFFAOYSA-N 0 0 380.242 4.195 40 0 GIABRN CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)NC[C@H]2CCCO2)C12CCCCC2 ZINC000101716121 570284826 /nfs/dbraw/zinc/28/48/26/570284826.db2.gz UJTRLZADDMBHFV-OPYAIIAOSA-N 0 0 398.547 4.023 40 0 GIABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(F)cc3)o2)cc1C ZINC000216031400 570295048 /nfs/dbraw/zinc/29/50/48/570295048.db2.gz LVJJQAUCHDNABO-UHFFFAOYSA-N 0 0 387.436 4.135 40 0 GIABRN CN(Cc1ccc(-n2cccn2)cc1)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000002735366 570297042 /nfs/dbraw/zinc/29/70/42/570297042.db2.gz CKIOSXSKFWGDPO-UHFFFAOYSA-N 0 0 390.270 4.217 40 0 GIABRN CC[C@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccc(C)cc1 ZINC000216256874 570297819 /nfs/dbraw/zinc/29/78/19/570297819.db2.gz SFPSWFVFQXSXLM-KRWDZBQOSA-N 0 0 382.323 4.328 40 0 GIABRN O=C(CSCc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000021900623 570298846 /nfs/dbraw/zinc/29/88/46/570298846.db2.gz DMAIADWGNRPLSV-UHFFFAOYSA-N 0 0 376.909 4.049 40 0 GIABRN CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000216386802 570300701 /nfs/dbraw/zinc/30/07/01/570300701.db2.gz LOTJYGGRCSIKEF-QGZVFWFLSA-N 0 0 380.488 4.281 40 0 GIABRN COc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)c(OC)c1 ZINC000021595937 570307222 /nfs/dbraw/zinc/30/72/22/570307222.db2.gz MWMIBLRIFDDQQV-UHFFFAOYSA-N 0 0 385.272 4.137 40 0 GIABRN Cc1cccc(OCC(=O)Nc2cc(C)c(I)c(C)c2)c1 ZINC000021596051 570307383 /nfs/dbraw/zinc/30/73/83/570307383.db2.gz COQTZFBTADYOTP-UHFFFAOYSA-N 0 0 395.240 4.234 40 0 GIABRN CCn1cc(C(=O)N[C@H](C)c2cccc(Br)c2)c(=O)c2ccccc21 ZINC000022234562 570308830 /nfs/dbraw/zinc/30/88/30/570308830.db2.gz DGTNSRUYSLFFPP-CYBMUJFWSA-N 0 0 399.288 4.275 40 0 GIABRN CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Cl)c(Cl)c1)cn2C ZINC000022237213 570309560 /nfs/dbraw/zinc/30/95/60/570309560.db2.gz ZFUJOOYIGUJBJG-UHFFFAOYSA-N 0 0 391.254 4.496 40 0 GIABRN CC(C)c1ccccc1N(CC(=O)Nc1cccc2ccccc21)S(C)(=O)=O ZINC000022380627 570314945 /nfs/dbraw/zinc/31/49/45/570314945.db2.gz JETNXSWQMQAHCQ-UHFFFAOYSA-N 0 0 396.512 4.368 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2N2CCCCCC2)cc1 ZINC000072216711 570317846 /nfs/dbraw/zinc/31/78/46/570317846.db2.gz CMWMYOSKVDFQRL-OAQYLSRUSA-N 0 0 399.560 4.296 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cnc(N3CCCC3)cc2C)cc1 ZINC000072218899 570318023 /nfs/dbraw/zinc/31/80/23/570318023.db2.gz XIWCRGNPYVODRT-NRFANRHFSA-N 0 0 399.560 4.215 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cnc(N3CCCCC3)c(C)c2)cc1 ZINC000072219170 570318326 /nfs/dbraw/zinc/31/83/26/570318326.db2.gz BZBOGKWLDRUPAI-NRFANRHFSA-N 0 0 399.560 4.215 40 0 GIABRN N[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Cl)cc1Cl ZINC000072227547 570319000 /nfs/dbraw/zinc/31/90/00/570319000.db2.gz BYNCZRIQJCBJOY-KBPBESRZSA-N 0 0 375.177 4.427 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(OC)cc1 ZINC000022518245 570319698 /nfs/dbraw/zinc/31/96/98/570319698.db2.gz FSISBXCLCBLGTD-CABCVRRESA-N 0 0 386.517 4.343 40 0 GIABRN COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 ZINC000022533770 570321299 /nfs/dbraw/zinc/32/12/99/570321299.db2.gz GQKJQGGJPKXISV-OAHLLOKOSA-N 0 0 386.517 4.200 40 0 GIABRN Cc1ccccc1NC(=O)c1sc2nc3cc4c(cc3cc2c1N)OCO4 ZINC000035311082 570323754 /nfs/dbraw/zinc/32/37/54/570323754.db2.gz NYWACGGFTYOBAZ-UHFFFAOYSA-N 0 0 377.425 4.321 40 0 GIABRN Nc1c2cc3cc4c(cc3nc2sc1C(=O)Nc1ccc(F)cc1)OCO4 ZINC000035310929 570323776 /nfs/dbraw/zinc/32/37/76/570323776.db2.gz AIWAIAKAAGCHSG-UHFFFAOYSA-N 0 0 381.388 4.152 40 0 GIABRN O=C(CN(C1=NCCS1)c1ccc(Br)cc1)c1cccs1 ZINC000026442151 570327593 /nfs/dbraw/zinc/32/75/93/570327593.db2.gz JFYGREUEBUYWPE-UHFFFAOYSA-N 0 0 381.320 4.303 40 0 GIABRN Cc1cc(C)cc(NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 ZINC000113967387 570337950 /nfs/dbraw/zinc/33/79/50/570337950.db2.gz BTRMEXFVDWPUDK-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN Cc1cc(OCC(=O)NCCCc2ccc(F)cc2)ccc1Br ZINC000218825413 570341691 /nfs/dbraw/zinc/34/16/91/570341691.db2.gz IGKLHCCXRYFMAJ-UHFFFAOYSA-N 0 0 380.257 4.024 40 0 GIABRN CN1CCN(C(=S)c2ccc(OCc3ccccc3Cl)c(Cl)c2)CC1 ZINC000408575938 570342570 /nfs/dbraw/zinc/34/25/70/570342570.db2.gz OWYMUFNMUJXOTQ-UHFFFAOYSA-N 0 0 395.355 4.495 40 0 GIABRN CCOc1ccc(CNC(=O)COc2cccc3ccccc32)cc1OCC ZINC000218911015 570343582 /nfs/dbraw/zinc/34/35/82/570343582.db2.gz AYVSSOJGHWNBLK-UHFFFAOYSA-N 0 0 379.456 4.332 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2C)cc1C ZINC000006024026 570345558 /nfs/dbraw/zinc/34/55/58/570345558.db2.gz VZHUJFKMIOACBB-UHFFFAOYSA-N 0 0 386.517 4.039 40 0 GIABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(-c2cccs2)no1 ZINC000219034336 570346254 /nfs/dbraw/zinc/34/62/54/570346254.db2.gz YFVMRSKVYJNYMR-ZDUSSCGKSA-N 0 0 379.441 4.035 40 0 GIABRN COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc32)cc1 ZINC000219039341 570346476 /nfs/dbraw/zinc/34/64/76/570346476.db2.gz WCQJHBQOIPTJEF-DLBZAZTESA-N 0 0 379.456 4.199 40 0 GIABRN C[C@H](Oc1cccc2ccccc21)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000219051170 570346973 /nfs/dbraw/zinc/34/69/73/570346973.db2.gz XULFKCBTPVPTGT-AWEZNQCLSA-N 0 0 393.468 4.377 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1cc(C)ccc1C ZINC000219073168 570347190 /nfs/dbraw/zinc/34/71/90/570347190.db2.gz UECWTGIRYVPSPW-LPHOPBHVSA-N 0 0 383.488 4.498 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1cc(C)ccc1C ZINC000219078434 570347596 /nfs/dbraw/zinc/34/75/96/570347596.db2.gz SNCIUQWDIDTXTE-HNNXBMFYSA-N 0 0 385.489 4.231 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1Cl ZINC000003549009 570348270 /nfs/dbraw/zinc/34/82/70/570348270.db2.gz YDLYUWMDHPENFL-UHFFFAOYSA-N 0 0 392.908 4.075 40 0 GIABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)c1 ZINC000219305155 570353517 /nfs/dbraw/zinc/35/35/17/570353517.db2.gz LDUOPGXAKROEGD-INIZCTEOSA-N 0 0 375.424 4.332 40 0 GIABRN COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1C)CC(C)(C)O2 ZINC000219310476 570353960 /nfs/dbraw/zinc/35/39/60/570353960.db2.gz GQDPBTPAQZLZBN-QFBILLFUSA-N 0 0 383.488 4.498 40 0 GIABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219328064 570355060 /nfs/dbraw/zinc/35/50/60/570355060.db2.gz MBNIIVCNQULZRR-OALUTQOASA-N 0 0 387.451 4.410 40 0 GIABRN COc1cc2ccccc2cc1C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000219396309 570358914 /nfs/dbraw/zinc/35/89/14/570358914.db2.gz VMULNGFNTQAOMH-UHFFFAOYSA-N 0 0 387.439 4.479 40 0 GIABRN CCOC(=O)n1c2ccccc2nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000004243580 570363625 /nfs/dbraw/zinc/36/36/25/570363625.db2.gz VBXBQTCRLGGIRW-UHFFFAOYSA-N 0 0 389.864 4.425 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccc(C)cc1C ZINC000219534701 570365966 /nfs/dbraw/zinc/36/59/66/570365966.db2.gz HHYNLUSCCVYFGQ-VQIMIIECSA-N 0 0 383.488 4.498 40 0 GIABRN COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccc(C)cc1C)CC(C)(C)O2 ZINC000219534549 570366063 /nfs/dbraw/zinc/36/60/63/570366063.db2.gz CJSYLOFEXNJXAA-QFBILLFUSA-N 0 0 383.488 4.498 40 0 GIABRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1F ZINC000006305104 570367015 /nfs/dbraw/zinc/36/70/15/570367015.db2.gz WGBPISOJWQKTSC-IBGZPJMESA-N 0 0 397.450 4.382 40 0 GIABRN CCCC[C@H](c1nnnn1C(C)(C)CC)N1CCN(c2ccccc2F)CC1 ZINC000057669927 570367357 /nfs/dbraw/zinc/36/73/57/570367357.db2.gz CKRACWACEKFQES-LJQANCHMSA-N 0 0 388.535 4.011 40 0 GIABRN Cc1ccc(Cl)cc1N1CCN([C@H](CC(C)C)c2nnnn2C(C)C)CC1 ZINC000057670215 570367976 /nfs/dbraw/zinc/36/79/76/570367976.db2.gz YAWXAANGTKDJAO-LJQANCHMSA-N 0 0 390.963 4.125 40 0 GIABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 ZINC000219614882 570371287 /nfs/dbraw/zinc/37/12/87/570371287.db2.gz PSXHAHYAUFUQGC-KRWDZBQOSA-N 0 0 385.851 4.172 40 0 GIABRN COc1ccc(-c2noc(CNC(=O)c3ccccc3SC(C)C)n2)cc1 ZINC000219658805 570372072 /nfs/dbraw/zinc/37/20/72/570372072.db2.gz DCTOXHYDWHAWRW-UHFFFAOYSA-N 0 0 383.473 4.176 40 0 GIABRN CC(C)Oc1cccc(CNC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 ZINC000219680378 570372829 /nfs/dbraw/zinc/37/28/29/570372829.db2.gz BKEXAOUZKKDQMH-CQSZACIVSA-N 0 0 392.293 4.320 40 0 GIABRN Cc1cccc(C(C)C)c1NC(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000219716899 570373912 /nfs/dbraw/zinc/37/39/12/570373912.db2.gz ZATKRVAUUPSJRI-UHFFFAOYSA-N 0 0 388.533 4.158 40 0 GIABRN CCCC[C@@H](CC)C(=O)OCCNC(=O)[C@@H](C)OC(=O)[C@@H](CC)CCCC ZINC000004428344 570374966 /nfs/dbraw/zinc/37/49/66/570374966.db2.gz XPCZYYMXPSFVJU-KURKYZTESA-N 0 0 385.545 4.010 40 0 GIABRN Cc1ccc2[nH]c(SC(=O)c3ccc(I)cc3)nc2c1 ZINC000408625461 570377086 /nfs/dbraw/zinc/37/70/86/570377086.db2.gz YHHPTRDHEVDSKT-UHFFFAOYSA-N 0 0 394.237 4.408 40 0 GIABRN CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3Cl)c2)CC1 ZINC000219993344 570380304 /nfs/dbraw/zinc/38/03/04/570380304.db2.gz KHZDSVDTNWZELL-UHFFFAOYSA-N 0 0 392.908 4.013 40 0 GIABRN Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1Cl ZINC000408629048 570381085 /nfs/dbraw/zinc/38/10/85/570381085.db2.gz JRHKCAPMZLCXOW-UHFFFAOYSA-N 0 0 378.303 4.306 40 0 GIABRN CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1Cl ZINC000408629007 570381151 /nfs/dbraw/zinc/38/11/51/570381151.db2.gz HPDZVGJFRQSFBX-SNVBAGLBSA-N 0 0 392.908 4.276 40 0 GIABRN Cc1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)c(C)c1 ZINC000101223527 570381358 /nfs/dbraw/zinc/38/13/58/570381358.db2.gz DUBQVPVRLLLWOE-VJBWXMMDSA-N 0 0 398.462 4.355 40 0 GIABRN CC[C@@H](C(=O)Nc1cc(C)ccc1C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220529204 570387754 /nfs/dbraw/zinc/38/77/54/570387754.db2.gz VTSQGNSGIPIVLS-IBGZPJMESA-N 0 0 388.533 4.104 40 0 GIABRN CC[C@H](C(=O)Nc1cccc(C)c1C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220533403 570388117 /nfs/dbraw/zinc/38/81/17/570388117.db2.gz YOWHYZDYEGAMRT-LJQANCHMSA-N 0 0 388.533 4.104 40 0 GIABRN CC[C@H](C(=O)Nc1cccc(C)c1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220562369 570388463 /nfs/dbraw/zinc/38/84/63/570388463.db2.gz YZWXHAFEVAZTCL-HXUWFJFHSA-N 0 0 388.533 4.104 40 0 GIABRN C[C@H](CC[C@@H]1CCCO1)OC(=O)CCCCC(=O)O[C@@H](C)CC[C@@H]1CCCO1 ZINC000004684156 570393009 /nfs/dbraw/zinc/39/30/09/570393009.db2.gz WTKXGQXWHJXYJA-YRPNKDGESA-N 0 0 398.540 4.329 40 0 GIABRN C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCCNc2ccc(C(F)(F)F)cn2)o1 ZINC000040080767 570409859 /nfs/dbraw/zinc/40/98/59/570409859.db2.gz SAFANHMHZUUXOU-RLTYXVBISA-N 0 0 379.382 4.058 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C ZINC000222412438 570409920 /nfs/dbraw/zinc/40/99/20/570409920.db2.gz GZZVNNLEEKJRMQ-NRFANRHFSA-N 0 0 396.531 4.014 40 0 GIABRN CCCCc1ccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 ZINC000222497293 570412749 /nfs/dbraw/zinc/41/27/49/570412749.db2.gz FJZINNDOGCBYHV-UHFFFAOYSA-N 0 0 394.924 4.331 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 ZINC000222506612 570412992 /nfs/dbraw/zinc/41/29/92/570412992.db2.gz HEGVUNLLXGRQML-HXUWFJFHSA-N 0 0 386.923 4.215 40 0 GIABRN Cc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000222526380 570413515 /nfs/dbraw/zinc/41/35/15/570413515.db2.gz BXRGJSKOOWTINK-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN COc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OC ZINC000222573327 570415047 /nfs/dbraw/zinc/41/50/47/570415047.db2.gz CRWYQJVFDJPHPJ-GOPGUHFVSA-N 0 0 389.908 4.342 40 0 GIABRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)n1-c1cccnc1 ZINC000222601385 570416446 /nfs/dbraw/zinc/41/64/46/570416446.db2.gz HFRFIJNDMMCRIB-CWFSZBLJSA-N 0 0 375.501 4.165 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)s2)cc1 ZINC000222613258 570416956 /nfs/dbraw/zinc/41/69/56/570416956.db2.gz XWVGIGMDNHAGNL-CQSZACIVSA-N 0 0 383.473 4.237 40 0 GIABRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2O[C@@H](C)CC)C1=O ZINC000007078455 570417379 /nfs/dbraw/zinc/41/73/79/570417379.db2.gz OIHOKDXHPGJETQ-GRSAQOKDSA-N 0 0 391.489 4.242 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc21 ZINC000222629972 570417609 /nfs/dbraw/zinc/41/76/09/570417609.db2.gz DXWKHTWEFGXONY-QGZVFWFLSA-N 0 0 392.474 4.075 40 0 GIABRN COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1 ZINC000222625549 570417640 /nfs/dbraw/zinc/41/76/40/570417640.db2.gz USKPCIBNNHDMKF-JHVJFLLYSA-N 0 0 390.512 4.470 40 0 GIABRN COc1ccc(CCC(=O)Nc2ccc(I)cc2)cc1C ZINC000222631960 570418010 /nfs/dbraw/zinc/41/80/10/570418010.db2.gz SPHJXFYPAWXQMW-UHFFFAOYSA-N 0 0 395.240 4.180 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3cccnc3)N21 ZINC000222670829 570419801 /nfs/dbraw/zinc/41/98/01/570419801.db2.gz FVAZVMPPMJHMDD-UIAACRFSSA-N 0 0 375.501 4.247 40 0 GIABRN Nc1nc(-c2ccc(-n3nncc3C34CC5CC(CC(C5)C3)C4)cc2)cs1 ZINC000004959760 570420113 /nfs/dbraw/zinc/42/01/13/570420113.db2.gz PBATZAMNBAYPMV-UHFFFAOYSA-N 0 0 377.517 4.441 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 ZINC000222687015 570420745 /nfs/dbraw/zinc/42/07/45/570420745.db2.gz HVZMUODAKVKQOK-CQSZACIVSA-N 0 0 393.314 4.089 40 0 GIABRN CC(C)Sc1nnc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)s1 ZINC000222697930 570421272 /nfs/dbraw/zinc/42/12/72/570421272.db2.gz SPEDEVGAGBULET-GFCCVEGCSA-N 0 0 377.535 4.323 40 0 GIABRN COc1ccc(/C=C/C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1 ZINC000026124193 570422608 /nfs/dbraw/zinc/42/26/08/570422608.db2.gz ZMBSQGTXLRNYCW-JLHYYAGUSA-N 0 0 384.439 4.389 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2cc(C)ccc2C)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222740230 570423252 /nfs/dbraw/zinc/42/32/52/570423252.db2.gz RSRTZBDZGRTQRA-FQEVSTJZSA-N 0 0 394.559 4.486 40 0 GIABRN Cn1c2ccccc2nc1SC(=O)c1ccc(I)cc1 ZINC000007343482 570423223 /nfs/dbraw/zinc/42/32/23/570423223.db2.gz RAIYJQWPWRDAHT-UHFFFAOYSA-N 0 0 394.237 4.110 40 0 GIABRN Cc1cccc(CSCC(=O)NCc2nc(-c3ccccc3Cl)no2)c1 ZINC000222747074 570423726 /nfs/dbraw/zinc/42/37/26/570423726.db2.gz IAADFIFGAYSPBL-UHFFFAOYSA-N 0 0 387.892 4.248 40 0 GIABRN Cc1ccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222751640 570424167 /nfs/dbraw/zinc/42/41/67/570424167.db2.gz GWLLXAKKCUHNIS-LJQANCHMSA-N 0 0 380.532 4.260 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1cccc(Cl)c1 ZINC000222771271 570425009 /nfs/dbraw/zinc/42/50/09/570425009.db2.gz QGJLBKPGOPNPBV-QGZVFWFLSA-N 0 0 375.852 4.146 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2cc(C)ccc2C)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222775947 570425330 /nfs/dbraw/zinc/42/53/30/570425330.db2.gz ZIASLWPHXCLYLS-HXUWFJFHSA-N 0 0 394.559 4.486 40 0 GIABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000222825806 570427992 /nfs/dbraw/zinc/42/79/92/570427992.db2.gz JRRYJYVMPKBOCE-CQSZACIVSA-N 0 0 393.314 4.437 40 0 GIABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCCc1ccccc1 ZINC000222830414 570428230 /nfs/dbraw/zinc/42/82/30/570428230.db2.gz SFRKEVNBASHHNE-QGZVFWFLSA-N 0 0 386.923 4.216 40 0 GIABRN CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC ZINC000222835520 570428244 /nfs/dbraw/zinc/42/82/44/570428244.db2.gz KEYAHACPMHOYDT-GOSISDBHSA-N 0 0 393.314 4.089 40 0 GIABRN CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000222898976 570430519 /nfs/dbraw/zinc/43/05/19/570430519.db2.gz BMYPNNDIHKJAKI-GFCCVEGCSA-N 0 0 397.277 4.186 40 0 GIABRN CCc1ccc(O[C@@H](CC)C(=O)NCc2nc(-c3cccc(C)c3)no2)cc1 ZINC000222900811 570430789 /nfs/dbraw/zinc/43/07/89/570430789.db2.gz WTNHLRBLJCTWFL-IBGZPJMESA-N 0 0 379.460 4.081 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 ZINC000222948305 570432622 /nfs/dbraw/zinc/43/26/22/570432622.db2.gz VWKBYSUYVMBKEC-LJQANCHMSA-N 0 0 398.572 4.421 40 0 GIABRN Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(Br)cc2)CC1=O ZINC000007928330 570432865 /nfs/dbraw/zinc/43/28/65/570432865.db2.gz NWTYCUNAKSTKRJ-AWEZNQCLSA-N 0 0 387.277 4.058 40 0 GIABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 ZINC000222950362 570432928 /nfs/dbraw/zinc/43/29/28/570432928.db2.gz YQCXSCICXNAUNM-VQTJNVASSA-N 0 0 377.517 4.040 40 0 GIABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 ZINC000222957050 570433100 /nfs/dbraw/zinc/43/31/00/570433100.db2.gz WRAZWVHLHBONDO-SFTDATJTSA-N 0 0 391.544 4.099 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222976743 570434598 /nfs/dbraw/zinc/43/45/98/570434598.db2.gz WEZRFMAZHSBAFC-SFHVURJKSA-N 0 0 398.522 4.435 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000222977587 570434629 /nfs/dbraw/zinc/43/46/29/570434629.db2.gz LOOGRFMRBWBEEX-HXUWFJFHSA-N 0 0 380.532 4.261 40 0 GIABRN Cc1ccc(NCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1C ZINC000005337667 570434697 /nfs/dbraw/zinc/43/46/97/570434697.db2.gz BKAUIPUMNPAYSZ-GIJQJNRQSA-N 0 0 382.441 4.138 40 0 GIABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 ZINC000222980135 570434800 /nfs/dbraw/zinc/43/48/00/570434800.db2.gz IFIPHFWHJIYYIH-RTWAWAEBSA-N 0 0 391.544 4.099 40 0 GIABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000223003136 570436696 /nfs/dbraw/zinc/43/66/96/570436696.db2.gz YOYADFGVBRGIKY-HXUWFJFHSA-N 0 0 393.487 4.478 40 0 GIABRN CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)NC)cc1 ZINC000223004971 570436983 /nfs/dbraw/zinc/43/69/83/570436983.db2.gz HGJCAGNRSYSJDM-JOCHJYFZSA-N 0 0 380.532 4.043 40 0 GIABRN CCCCC[C@H]1O[C@@H]1C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO ZINC000027646625 570437921 /nfs/dbraw/zinc/43/79/21/570437921.db2.gz LPMVKZXODWQHGJ-CTLYJJNHSA-N 0 0 394.552 4.240 40 0 endogenous,in-man GIABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 ZINC000223026109 570438383 /nfs/dbraw/zinc/43/83/83/570438383.db2.gz GHJZNFZSJPTLIQ-YWZLYKJASA-N 0 0 391.895 4.398 40 0 GIABRN O=C(Nc1cccc(Cl)c1Cl)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005438548 570439235 /nfs/dbraw/zinc/43/92/35/570439235.db2.gz MGFMAKYFTNAXEY-UHFFFAOYSA-N 0 0 399.299 4.176 40 0 GIABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000223083942 570442032 /nfs/dbraw/zinc/44/20/32/570442032.db2.gz POVLHBAWNRSZFJ-MRXNPFEDSA-N 0 0 394.515 4.500 40 0 GIABRN CSc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1NC(=O)C(C)C ZINC000223097571 570443353 /nfs/dbraw/zinc/44/33/53/570443353.db2.gz SVLBXARTZRDOEV-UHFFFAOYSA-N 0 0 392.546 4.421 40 0 GIABRN CC[C@@H](Oc1ccccc1C)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000223103505 570443701 /nfs/dbraw/zinc/44/37/01/570443701.db2.gz DLYCMRHCDHCQMR-MRXNPFEDSA-N 0 0 383.473 4.318 40 0 GIABRN Cc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223117184 570444043 /nfs/dbraw/zinc/44/40/43/570444043.db2.gz DMCZXHBQCRUCSU-FQEVSTJZSA-N 0 0 394.559 4.302 40 0 GIABRN COc1ccc(C(=O)N2CCC(C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 ZINC000223123194 570444825 /nfs/dbraw/zinc/44/48/25/570444825.db2.gz ISGSLUYMHZXDIZ-UHFFFAOYSA-N 0 0 380.488 4.111 40 0 GIABRN COc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000035289394 570454127 /nfs/dbraw/zinc/45/41/27/570454127.db2.gz JNDGHEFHTZZUEX-KRWDZBQOSA-N 0 0 391.830 4.123 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C ZINC000223275311 570455222 /nfs/dbraw/zinc/45/52/22/570455222.db2.gz IUOJIKAUUVNFOW-IBGZPJMESA-N 0 0 398.522 4.319 40 0 GIABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000223280227 570455773 /nfs/dbraw/zinc/45/57/73/570455773.db2.gz KQTQYSAZCGOCQP-LJQANCHMSA-N 0 0 393.527 4.197 40 0 GIABRN Nc1c2cc3cc4c(cc3nc2sc1C(=O)Nc1ccccc1F)OCO4 ZINC000035288927 570456467 /nfs/dbraw/zinc/45/64/67/570456467.db2.gz XQFQMEUEHXJFFA-UHFFFAOYSA-N 0 0 381.388 4.152 40 0 GIABRN CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000223344314 570460480 /nfs/dbraw/zinc/46/04/80/570460480.db2.gz FVXUJIWPMNSVGQ-HSZRJFAPSA-N 0 0 390.483 4.466 40 0 GIABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000223405693 570463871 /nfs/dbraw/zinc/46/38/71/570463871.db2.gz CABNQEUDPAFNIW-NRFANRHFSA-N 0 0 396.874 4.339 40 0 GIABRN O=C(CSCc1ccc(Br)cc1)NCCOCc1ccccc1 ZINC000223454120 570467122 /nfs/dbraw/zinc/46/71/22/570467122.db2.gz WRMNVAKGNIZPBL-UHFFFAOYSA-N 0 0 394.334 4.015 40 0 GIABRN Cc1cc(C)c([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1C ZINC000223462598 570467421 /nfs/dbraw/zinc/46/74/21/570467421.db2.gz WLQOFVOSDQMMRW-AWEZNQCLSA-N 0 0 394.924 4.128 40 0 GIABRN Cc1ccc2[nH]c3nc(SCC(=O)Nc4ccccc4Cl)nnc3c2c1 ZINC000035312202 570467540 /nfs/dbraw/zinc/46/75/40/570467540.db2.gz PXZXVCGZHJHXDY-UHFFFAOYSA-N 0 0 383.864 4.199 40 0 GIABRN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cccc(N2CCCC2=O)c1 ZINC000134253574 570469574 /nfs/dbraw/zinc/46/95/74/570469574.db2.gz UIJXHWUJRISYAF-UHFFFAOYSA-N 0 0 398.875 4.238 40 0 GIABRN CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1 ZINC000223524813 570469556 /nfs/dbraw/zinc/46/95/56/570469556.db2.gz PWZJIAHZGVNVJS-PMACEKPBSA-N 0 0 377.517 4.032 40 0 GIABRN CSc1nnc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)s1 ZINC000223536523 570469890 /nfs/dbraw/zinc/46/98/90/570469890.db2.gz XRCZLUROCJCWHY-UHFFFAOYSA-N 0 0 380.347 4.439 40 0 GIABRN CC(C)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)cc1 ZINC000008267998 570470265 /nfs/dbraw/zinc/47/02/65/570470265.db2.gz HPXZKLAWGPWPHV-BRYHAGSVSA-N 0 0 386.517 4.247 40 0 GIABRN Cc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C(=O)Nc2ccccc2F)c1 ZINC000035311118 570471133 /nfs/dbraw/zinc/47/11/33/570471133.db2.gz RHCXHHGPZSAVTB-YQQQUEKLSA-N 0 0 395.478 4.482 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 ZINC000223626880 570475470 /nfs/dbraw/zinc/47/54/70/570475470.db2.gz LKHVJAJHYXOJHX-IBGZPJMESA-N 0 0 398.572 4.172 40 0 GIABRN CC(C)COc1ccc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)cc1 ZINC000006357986 570477845 /nfs/dbraw/zinc/47/78/45/570477845.db2.gz CYLRGXUIYNOKDA-UHFFFAOYSA-N 0 0 386.561 4.150 40 0 GIABRN CCCC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223706729 570480256 /nfs/dbraw/zinc/48/02/56/570480256.db2.gz KIZVARQNBDRTEY-PGRDOPGGSA-N 0 0 398.522 4.480 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C ZINC000223718295 570481156 /nfs/dbraw/zinc/48/11/56/570481156.db2.gz DFNMQRXDVACECE-QGZVFWFLSA-N 0 0 386.923 4.053 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000223726150 570481441 /nfs/dbraw/zinc/48/14/41/570481441.db2.gz RJRNSKUFDZHOCM-QGZVFWFLSA-N 0 0 386.923 4.053 40 0 GIABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSc1ccccc1 ZINC000223719959 570481524 /nfs/dbraw/zinc/48/15/24/570481524.db2.gz SBDTUEKPQSZVAA-SFHVURJKSA-N 0 0 396.556 4.255 40 0 GIABRN Cc1nccn1Cc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1 ZINC000223739433 570482340 /nfs/dbraw/zinc/48/23/40/570482340.db2.gz RGUJJJYPABEHKU-UHFFFAOYSA-N 0 0 391.515 4.346 40 0 GIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223761421 570483376 /nfs/dbraw/zinc/48/33/76/570483376.db2.gz XMCWRFNIQFDZJI-XMSQKQJNSA-N 0 0 398.522 4.480 40 0 GIABRN Cc1cc(C)cc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223756359 570483439 /nfs/dbraw/zinc/48/34/39/570483439.db2.gz MYPYMIZNTXLJOH-HXUWFJFHSA-N 0 0 392.543 4.322 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223756224 570483546 /nfs/dbraw/zinc/48/35/46/570483546.db2.gz SWUOHWGQDQXDJC-LJQANCHMSA-N 0 0 378.516 4.014 40 0 GIABRN COc1ccc(-c2ccccc2)cc1NCN1C(=O)c2ccc(F)cc2C1=O ZINC000000828447 570485605 /nfs/dbraw/zinc/48/56/05/570485605.db2.gz OMUFUCOGEYBHPN-UHFFFAOYSA-N 0 0 376.387 4.167 40 0 GIABRN CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 ZINC000223846392 570487198 /nfs/dbraw/zinc/48/71/98/570487198.db2.gz LCSQXRLRISNQIS-VQTJNVASSA-N 0 0 378.501 4.347 40 0 GIABRN Cc1ccccc1CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC1CCCC1 ZINC000223901793 570489580 /nfs/dbraw/zinc/48/95/80/570489580.db2.gz SIGYTMWZKXNVFD-GOSISDBHSA-N 0 0 396.506 4.153 40 0 GIABRN Cc1ccccc1[C@@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223929405 570490501 /nfs/dbraw/zinc/49/05/01/570490501.db2.gz HMOTWYMXUFZNKY-QGZVFWFLSA-N 0 0 394.496 4.287 40 0 GIABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)o2)cc1 ZINC000223958773 570491853 /nfs/dbraw/zinc/49/18/53/570491853.db2.gz VXJVVEDJMWRPFR-VQTJNVASSA-N 0 0 392.484 4.119 40 0 GIABRN CCC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223976088 570492220 /nfs/dbraw/zinc/49/22/20/570492220.db2.gz CXVNUJPHFKWQHW-CYBMUJFWSA-N 0 0 380.897 4.059 40 0 GIABRN Cn1c2ccccc2nc1C[C@H]1C[N@H+](CC2CCCCC2)CC[C@H]1CC(=O)[O-] ZINC000514289814 570492625 /nfs/dbraw/zinc/49/26/25/570492625.db2.gz OXEVZARZXSZNSG-OALUTQOASA-N 0 0 383.536 4.109 40 0 biogenic,in-vitro GIABRN O=S(=O)(NCCOc1ccccc1Cl)c1cc(Cl)ccc1Cl ZINC000223979992 570492704 /nfs/dbraw/zinc/49/27/04/570492704.db2.gz BIXMSGRTMPSVJG-UHFFFAOYSA-N 0 0 380.680 4.004 40 0 GIABRN Cc1cccc(-c2nnc(SCc3cccc(Br)c3)n2N)c1 ZINC000006789285 570493423 /nfs/dbraw/zinc/49/34/23/570493423.db2.gz WCFXKJXZSWSNMI-UHFFFAOYSA-N 0 0 375.295 4.022 40 0 GIABRN S=C(NCC1(c2ccc(Cl)cc2)CCOCC1)Nc1cccnc1Cl ZINC000224016884 570495043 /nfs/dbraw/zinc/49/50/43/570495043.db2.gz MJBWNZHHDJELMO-UHFFFAOYSA-N 0 0 396.343 4.423 40 0 GIABRN CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 ZINC000224073928 570497194 /nfs/dbraw/zinc/49/71/94/570497194.db2.gz NKVATGUMVSIJKK-JOCHJYFZSA-N 0 0 398.522 4.134 40 0 GIABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000224086005 570497625 /nfs/dbraw/zinc/49/76/25/570497625.db2.gz GOBQOSABHBHYAA-FQEVSTJZSA-N 0 0 394.559 4.339 40 0 GIABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000224095935 570498449 /nfs/dbraw/zinc/49/84/49/570498449.db2.gz PKQJBUPOKATZPY-QGZVFWFLSA-N 0 0 386.923 4.072 40 0 GIABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1ccccc1 ZINC000224155815 570501140 /nfs/dbraw/zinc/50/11/40/570501140.db2.gz NMZHSWLTMTUVEF-HSZRJFAPSA-N 0 0 392.543 4.404 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 ZINC000224164311 570501468 /nfs/dbraw/zinc/50/14/68/570501468.db2.gz HQSOSLBVTMDDKP-FQEVSTJZSA-N 0 0 386.923 4.134 40 0 GIABRN CCC(=O)Nc1sc(C(=O)Nc2ccc(Cl)cc2)c(C)c1C(=O)OC ZINC000000871581 570502588 /nfs/dbraw/zinc/50/25/88/570502588.db2.gz SYALWTHASZRJTP-UHFFFAOYSA-N 0 0 380.853 4.097 40 0 GIABRN CC(=O)c1ccc(NC(=O)CSc2nnc3c(C)cc4ccccc4n23)cc1 ZINC000000877045 570503837 /nfs/dbraw/zinc/50/38/37/570503837.db2.gz VQUUPWMUEUKRJA-UHFFFAOYSA-N 0 0 390.468 4.124 40 0 GIABRN Cc1cc(C)c2cc(C)c3nnc(SCC(=O)N4CCC(C)CC4)n3c2c1 ZINC000000877195 570503886 /nfs/dbraw/zinc/50/38/86/570503886.db2.gz FRPFYYSIHUUWCF-UHFFFAOYSA-N 0 0 382.533 4.158 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 ZINC000224225769 570504593 /nfs/dbraw/zinc/50/45/93/570504593.db2.gz ZZKFUJSUFNYVDE-OAQYLSRUSA-N 0 0 398.572 4.339 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 ZINC000224227061 570504624 /nfs/dbraw/zinc/50/46/24/570504624.db2.gz WOGJHNIGKAFAOD-NRFANRHFSA-N 0 0 398.572 4.421 40 0 GIABRN COc1ccc([C@H]2C[C@@](C)(N3CCCC3)Oc3cc4c(cc32)OCO4)c(OC)c1 ZINC000031430375 570504669 /nfs/dbraw/zinc/50/46/69/570504669.db2.gz CBYNWEMJTGYPFZ-JPYJTQIMSA-N 0 0 397.471 4.159 40 0 GIABRN Cc1cccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c1 ZINC000224252264 570505775 /nfs/dbraw/zinc/50/57/75/570505775.db2.gz JWXDPHYSPNMHNI-UHFFFAOYSA-N 0 0 380.469 4.072 40 0 GIABRN COc1ccc(OCCNC(=O)c2ccccc2CCc2ccccc2)cc1 ZINC000224280131 570507117 /nfs/dbraw/zinc/50/71/17/570507117.db2.gz WKUJZVDKHAAZSA-UHFFFAOYSA-N 0 0 375.468 4.289 40 0 GIABRN Cc1ccc(C(=O)Nc2cccc(F)c2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000224293025 570508010 /nfs/dbraw/zinc/50/80/10/570508010.db2.gz RMWFZIAENFSCMH-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN Cc1ccc(C)c(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224307353 570508248 /nfs/dbraw/zinc/50/82/48/570508248.db2.gz UATGNWYSKVKVDX-LJQANCHMSA-N 0 0 398.522 4.175 40 0 GIABRN COc1cccc(OCCNC(=O)CC(c2ccccc2)c2ccccc2)c1 ZINC000224315555 570508508 /nfs/dbraw/zinc/50/85/08/570508508.db2.gz FIUBVMXGBSBOSF-UHFFFAOYSA-N 0 0 375.468 4.412 40 0 GIABRN CC[C@H](C)NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224313676 570508649 /nfs/dbraw/zinc/50/86/49/570508649.db2.gz AJMIJFYCYAYQIJ-AWEZNQCLSA-N 0 0 394.924 4.002 40 0 GIABRN CCCCC(=O)Nc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1OC ZINC000032115593 570509101 /nfs/dbraw/zinc/50/91/01/570509101.db2.gz GYLRFVVIRJLIPT-UHFFFAOYSA-N 0 0 384.476 4.458 40 0 GIABRN CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(C(C)C)cc3)oc2c1 ZINC000032126973 570509493 /nfs/dbraw/zinc/50/94/93/570509493.db2.gz NYEUNBWMLJCVIQ-UHFFFAOYSA-N 0 0 396.472 4.036 40 0 GIABRN CCOC(=O)CSc1nnc(CNc2ccc(C)cc2)n1-c1ccc(C)cc1 ZINC000000886750 570510836 /nfs/dbraw/zinc/51/08/36/570510836.db2.gz KLBSODYIFGVESJ-UHFFFAOYSA-N 0 0 396.516 4.151 40 0 GIABRN CCN(c1ccc(C(=O)N(C)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000224362443 570510849 /nfs/dbraw/zinc/51/08/49/570510849.db2.gz TYEVLDQWMWDEHC-UHFFFAOYSA-N 0 0 394.496 4.178 40 0 GIABRN CCN(Cc1ccc(C(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000224443072 570513334 /nfs/dbraw/zinc/51/33/34/570513334.db2.gz YWXYPBKPQPOGTD-UHFFFAOYSA-N 0 0 394.496 4.150 40 0 GIABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(OC)cc1 ZINC000224460780 570514082 /nfs/dbraw/zinc/51/40/82/570514082.db2.gz AIZLIZDUJAGPLE-JOCHJYFZSA-N 0 0 379.456 4.201 40 0 GIABRN COc1cc(C)c(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cc1C ZINC000224464088 570514497 /nfs/dbraw/zinc/51/44/97/570514497.db2.gz QVLSSULNUYHJMU-UHFFFAOYSA-N 0 0 375.490 4.434 40 0 GIABRN CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2cc1C ZINC000000902885 570514790 /nfs/dbraw/zinc/51/47/90/570514790.db2.gz RPYBSBYHVWZBGH-UHFFFAOYSA-N 0 0 380.469 4.451 40 0 GIABRN CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccc(O)cc1 ZINC000000907369 570517271 /nfs/dbraw/zinc/51/72/71/570517271.db2.gz DRVVZOCTMSFHHZ-HNNXBMFYSA-N 0 0 396.516 4.407 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 ZINC000224633549 570521559 /nfs/dbraw/zinc/52/15/59/570521559.db2.gz JXKXLGQYNYUFAA-LJQANCHMSA-N 0 0 398.572 4.421 40 0 GIABRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCc1ccccc1Cl ZINC000224636401 570521850 /nfs/dbraw/zinc/52/18/50/570521850.db2.gz LODYPFIMWDIBBL-MOSHPQCFSA-N 0 0 394.858 4.329 40 0 GIABRN CCCC[C@@H](CC)CNC(=O)CCCN(c1ccccc1CC)S(C)(=O)=O ZINC000224660437 570523120 /nfs/dbraw/zinc/52/31/20/570523120.db2.gz FCGRIHMUKPQXGG-GOSISDBHSA-N 0 0 396.597 4.128 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)COc3ccc4c(c3)CCCC4)s2)cc1 ZINC000224658232 570523273 /nfs/dbraw/zinc/52/32/73/570523273.db2.gz GUGPTMWGPDIMRD-UHFFFAOYSA-N 0 0 395.484 4.110 40 0 GIABRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 ZINC000224676269 570523990 /nfs/dbraw/zinc/52/39/90/570523990.db2.gz GITMLCNDARBEQB-GOSISDBHSA-N 0 0 396.506 4.234 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1 ZINC000224705471 570526065 /nfs/dbraw/zinc/52/60/65/570526065.db2.gz GADUBDVVFBJRKK-LJQANCHMSA-N 0 0 398.572 4.172 40 0 GIABRN O=S(=O)(NCc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1Cl ZINC000033586303 570528130 /nfs/dbraw/zinc/52/81/30/570528130.db2.gz STUDGXDLOWXFFX-UHFFFAOYSA-N 0 0 384.206 4.491 40 0 GIABRN CC(C)Oc1ccc(N(C)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000224740556 570528273 /nfs/dbraw/zinc/52/82/73/570528273.db2.gz WYUNJGFIRWDBHN-UHFFFAOYSA-N 0 0 384.295 4.061 40 0 GIABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCSc1ccccc1 ZINC000008361156 570529242 /nfs/dbraw/zinc/52/92/42/570529242.db2.gz RDLBSMDHVHGXRP-CYBMUJFWSA-N 0 0 380.307 4.125 40 0 GIABRN O=C(NCc1cccnc1)c1ccccc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000224773622 570529824 /nfs/dbraw/zinc/52/98/24/570529824.db2.gz BHBWYKOAGFVGOQ-UHFFFAOYSA-N 0 0 399.494 4.462 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl ZINC000224775711 570530460 /nfs/dbraw/zinc/53/04/60/570530460.db2.gz RTBRZKJUGXUZAH-KRWDZBQOSA-N 0 0 386.923 4.134 40 0 GIABRN CCCC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224819492 570532345 /nfs/dbraw/zinc/53/23/45/570532345.db2.gz UQZPBYMJQPSCGH-QFIPXVFZSA-N 0 0 380.532 4.260 40 0 GIABRN CCCC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224845918 570533784 /nfs/dbraw/zinc/53/37/84/570533784.db2.gz RNFUKTCMZMJUCQ-QFIPXVFZSA-N 0 0 380.532 4.260 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 ZINC000224846970 570533848 /nfs/dbraw/zinc/53/38/48/570533848.db2.gz CSMBCXKGUGUPQO-QGZVFWFLSA-N 0 0 386.923 4.134 40 0 GIABRN COc1ccc(-c2cnc(CCC(=O)Nc3cc(C)ccc3OC)o2)c(OC)c1 ZINC000224869431 570535066 /nfs/dbraw/zinc/53/50/66/570535066.db2.gz GIVLKGMZVHFJAX-UHFFFAOYSA-N 0 0 396.443 4.247 40 0 GIABRN Cc1ccc(-n2c(SCC(=O)N3CCC[C@@H](C)C3)nnc2-c2ccco2)cc1 ZINC000000919744 570535159 /nfs/dbraw/zinc/53/51/59/570535159.db2.gz HYQQNQDOFBBJNK-MRXNPFEDSA-N 0 0 396.516 4.186 40 0 GIABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(C)cc2)cc1 ZINC000224876282 570535926 /nfs/dbraw/zinc/53/59/26/570535926.db2.gz QVGLZDMJFFVRIV-ZHZULCJRSA-N 0 0 392.480 4.475 40 0 GIABRN Cc1nccn1Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000224896375 570536784 /nfs/dbraw/zinc/53/67/84/570536784.db2.gz LPIAATKGYWEHHR-UHFFFAOYSA-N 0 0 375.350 4.391 40 0 GIABRN COc1ccc(CN(C)C(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1OC ZINC000224897516 570536908 /nfs/dbraw/zinc/53/69/08/570536908.db2.gz XRTSLVFGZFNMJB-MRXNPFEDSA-N 0 0 383.488 4.009 40 0 GIABRN CCOc1ccc(-c2cnc(-c3ccccc3C(=O)NC[C@H]3CCCO3)o2)cc1 ZINC000224916687 570537711 /nfs/dbraw/zinc/53/77/11/570537711.db2.gz UVPYBQKWLIMRNR-GOSISDBHSA-N 0 0 392.455 4.316 40 0 GIABRN COc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCCC3)o2)c(OC)c1 ZINC000224935818 570538685 /nfs/dbraw/zinc/53/86/85/570538685.db2.gz KLYZPQAWSWNPHT-UHFFFAOYSA-N 0 0 378.428 4.262 40 0 GIABRN CCOc1cc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)ccc1OC ZINC000224935403 570538782 /nfs/dbraw/zinc/53/87/82/570538782.db2.gz GHHOFITZFWUCEH-MRXNPFEDSA-N 0 0 383.488 4.056 40 0 GIABRN O=C(CCCc1ccc2c(c1)OCCO2)Nc1ccc(Cc2ccncc2)cc1 ZINC000224945868 570539044 /nfs/dbraw/zinc/53/90/44/570539044.db2.gz SQDHVNCXOIDRQX-UHFFFAOYSA-N 0 0 388.467 4.405 40 0 GIABRN Cc1sc2ncnc(SCC(=O)Nc3nc4c(s3)CCCC4)c2c1C ZINC000000928935 570539370 /nfs/dbraw/zinc/53/93/70/570539370.db2.gz HBJGPOCVTSEQTD-UHFFFAOYSA-N 0 0 390.559 4.374 40 0 GIABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1Cl ZINC000224948785 570539519 /nfs/dbraw/zinc/53/95/19/570539519.db2.gz JRKNXNITWHJEIO-QZTJIDSGSA-N 0 0 384.892 4.249 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)c(C)c1 ZINC000224956186 570539651 /nfs/dbraw/zinc/53/96/51/570539651.db2.gz RCVQZEPTZGHLOA-UHFFFAOYSA-N 0 0 398.459 4.496 40 0 GIABRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000224956492 570539880 /nfs/dbraw/zinc/53/98/80/570539880.db2.gz AQNNDZLZAYKDPC-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(SC)cc2)c(C)c1 ZINC000224994002 570542124 /nfs/dbraw/zinc/54/21/24/570542124.db2.gz QDCPDJCYNQEVKW-UHFFFAOYSA-N 0 0 393.530 4.109 40 0 GIABRN COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C ZINC000225013420 570543337 /nfs/dbraw/zinc/54/33/37/570543337.db2.gz OFAORFPIBRKHKI-NHCUHLMSSA-N 0 0 398.576 4.061 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000225011050 570543482 /nfs/dbraw/zinc/54/34/82/570543482.db2.gz PPQDMRKUEHBJDG-IRXDYDNUSA-N 0 0 386.923 4.215 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1C ZINC000225010120 570543504 /nfs/dbraw/zinc/54/35/04/570543504.db2.gz YTFLHKQLQQBMFF-UXHICEINSA-N 0 0 396.531 4.014 40 0 GIABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc(C)c1Cl ZINC000225043111 570544914 /nfs/dbraw/zinc/54/49/14/570544914.db2.gz DXIURMLTEAISIO-LBPRGKRZSA-N 0 0 390.892 4.276 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 ZINC000225050978 570545394 /nfs/dbraw/zinc/54/53/94/570545394.db2.gz VOCVJPBTKRGROA-MSOLQXFVSA-N 0 0 384.495 4.009 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000225059100 570545649 /nfs/dbraw/zinc/54/56/49/570545649.db2.gz AXDAFTBKABMVMB-DEOSSOPVSA-N 0 0 392.543 4.067 40 0 GIABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c(c1)sc(=O)n2C ZINC000225053090 570545788 /nfs/dbraw/zinc/54/57/88/570545788.db2.gz NPRWEVCKOHXPBZ-AWEZNQCLSA-N 0 0 376.865 4.050 40 0 GIABRN Cn1c(=O)sc2cc(NC(=O)CSCc3ccc(Cl)cc3F)ccc21 ZINC000225069259 570546630 /nfs/dbraw/zinc/54/66/30/570546630.db2.gz WKLMXLWGASLCIN-UHFFFAOYSA-N 0 0 396.896 4.264 40 0 GIABRN COc1ccc(OC[C@@H](C)NC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000225073122 570547023 /nfs/dbraw/zinc/54/70/23/570547023.db2.gz XIEHMCVSXCDAGV-LLVKDONJSA-N 0 0 398.684 4.308 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C ZINC000225092351 570547912 /nfs/dbraw/zinc/54/79/12/570547912.db2.gz JXWOAPPWYJMMGY-WOJBJXKFSA-N 0 0 380.532 4.178 40 0 GIABRN CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 ZINC000008476835 570548741 /nfs/dbraw/zinc/54/87/41/570548741.db2.gz AYZGGKFXIXBROQ-UHFFFAOYSA-N 0 0 375.259 4.381 40 0 GIABRN CCn1c2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)cc2sc1=O ZINC000225101910 570548893 /nfs/dbraw/zinc/54/88/93/570548893.db2.gz FKMHNXZWXGBGMS-UHFFFAOYSA-N 0 0 384.501 4.398 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2cc(C(F)(F)F)ccc2Cl)cc1F ZINC000225112153 570549714 /nfs/dbraw/zinc/54/97/14/570549714.db2.gz IVYRLFXJNHSOOK-UHFFFAOYSA-N 0 0 397.777 4.332 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 ZINC000225124032 570550725 /nfs/dbraw/zinc/55/07/25/570550725.db2.gz MKTGUJIHLUPXOA-QHCPKHFHSA-N 0 0 394.559 4.488 40 0 GIABRN COc1ccccc1NC(=O)CN1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000035291770 570551255 /nfs/dbraw/zinc/55/12/55/570551255.db2.gz ZGGMLIYXJDISFJ-UHFFFAOYSA-N 0 0 398.894 4.043 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F ZINC000225132696 570551479 /nfs/dbraw/zinc/55/14/79/570551479.db2.gz KHDJDDRZGNSYMR-QZTJIDSGSA-N 0 0 384.495 4.009 40 0 GIABRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)Cc1ccccc1 ZINC000225151322 570552018 /nfs/dbraw/zinc/55/20/18/570552018.db2.gz LBDRAPNWJLYZCJ-GOSISDBHSA-N 0 0 396.506 4.234 40 0 GIABRN S=C(NC[C@@H]1CCCO1)Nc1cccnc1Sc1ccc(Cl)cc1 ZINC000225191178 570554733 /nfs/dbraw/zinc/55/47/33/570554733.db2.gz PGRZADNMRUQNNV-ZDUSSCGKSA-N 0 0 379.938 4.352 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 ZINC000225188057 570554831 /nfs/dbraw/zinc/55/48/31/570554831.db2.gz VWIDGGHWOJIKCI-QFIPXVFZSA-N 0 0 380.532 4.180 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 ZINC000225193829 570555337 /nfs/dbraw/zinc/55/53/37/570555337.db2.gz AABMIGNDZWURFC-QFIPXVFZSA-N 0 0 380.532 4.180 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCSCc2ccccc2Cl)cc1C ZINC000225205606 570556110 /nfs/dbraw/zinc/55/61/10/570556110.db2.gz SPPHCYXSESYUDP-UHFFFAOYSA-N 0 0 399.965 4.177 40 0 GIABRN CCC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC1CCCCC1 ZINC000225225962 570557667 /nfs/dbraw/zinc/55/76/67/570557667.db2.gz BCGQRULWEQFXCD-AWEZNQCLSA-N 0 0 395.341 4.025 40 0 GIABRN COc1ccc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1 ZINC000028380663 570561478 /nfs/dbraw/zinc/56/14/78/570561478.db2.gz ZPMKNXUQNBNEKE-UHFFFAOYSA-N 0 0 395.440 4.163 40 0 GIABRN C[C@@]1(C(=O)NCC[C@H](c2ccc(F)cc2)[C@@H]2CCOC(C)(C)C2)CCCO1 ZINC000036719423 570561870 /nfs/dbraw/zinc/56/18/70/570561870.db2.gz IDOIPAWMUBQQKH-JUXOCIIHSA-N 0 0 377.500 4.190 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c(C)c1 ZINC000225288856 570562113 /nfs/dbraw/zinc/56/21/13/570562113.db2.gz DMZUZWFMBJPVNW-UHFFFAOYSA-N 0 0 391.471 4.286 40 0 GIABRN Cc1ccc(-c2nc(N3CCOCC3)sc2C(=O)Nc2ccccc2)cc1 ZINC000036293441 570563063 /nfs/dbraw/zinc/56/30/63/570563063.db2.gz PJHWKPOAELYCSF-UHFFFAOYSA-N 0 0 379.485 4.207 40 0 GIABRN O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccccc1Cl ZINC000001221536 570564134 /nfs/dbraw/zinc/56/41/34/570564134.db2.gz BDRNCXWBBHUMHV-UHFFFAOYSA-N 0 0 395.875 4.200 40 0 GIABRN COC(=O)c1cccc(NC(=S)NCCSCc2cccc(C)c2)c1C ZINC000225337870 570565441 /nfs/dbraw/zinc/56/54/41/570565441.db2.gz XNWBJTSBZLPDNI-UHFFFAOYSA-N 0 0 388.558 4.310 40 0 GIABRN COC(=O)c1ccc(C)c(NC(=S)NCCSCc2cccc(C)c2)c1 ZINC000225337605 570565466 /nfs/dbraw/zinc/56/54/66/570565466.db2.gz UKMRTPSVHRJXIV-UHFFFAOYSA-N 0 0 388.558 4.310 40 0 GIABRN COc1ccc(CCNC(=O)CCc2c(Cl)cccc2Cl)cc1OC ZINC000225346707 570566020 /nfs/dbraw/zinc/56/60/20/570566020.db2.gz WEBDKDYQJFNALN-UHFFFAOYSA-N 0 0 382.287 4.302 40 0 GIABRN CCOc1ccc(N2C(=O)C[C@H](Nc3cccc(Cl)c3Cl)C2=O)cc1 ZINC000036635697 570566535 /nfs/dbraw/zinc/56/65/35/570566535.db2.gz DVCRRTXDLUMCME-HNNXBMFYSA-N 0 0 379.243 4.136 40 0 GIABRN O=C1CCCN1c1cccc(NC(=S)NCCSC2CCCCC2)c1 ZINC000225359131 570567048 /nfs/dbraw/zinc/56/70/48/570567048.db2.gz MZCGUUKANODXTK-UHFFFAOYSA-N 0 0 377.579 4.166 40 0 GIABRN C[C@H]1Cc2ccccc2N1c1nc(C2CC2)nc2c1nnn2Cc1ccccc1 ZINC000001331254 570568226 /nfs/dbraw/zinc/56/82/26/570568226.db2.gz IOSRIYILYIAYOF-HNNXBMFYSA-N 0 0 382.471 4.230 40 0 GIABRN CC(C)(C)c1ccc(N(CC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000010326192 570569047 /nfs/dbraw/zinc/56/90/47/570569047.db2.gz HZZZABYZRDUVHQ-UHFFFAOYSA-N 0 0 394.924 4.042 40 0 GIABRN O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000225399204 570569740 /nfs/dbraw/zinc/56/97/40/570569740.db2.gz MGCFJSXIIWWIRK-UHFFFAOYSA-N 0 0 398.311 4.428 40 0 GIABRN COc1ccc(CSCC(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 ZINC000225402205 570570350 /nfs/dbraw/zinc/57/03/50/570570350.db2.gz ONDLXQPGSUEWHQ-UHFFFAOYSA-N 0 0 385.514 4.394 40 0 GIABRN CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)ccc2C)c1 ZINC000001343594 570571832 /nfs/dbraw/zinc/57/18/32/570571832.db2.gz VPDQSALGNOQZTH-HXUWFJFHSA-N 0 0 379.460 4.141 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSc1ccccc1 ZINC000225421407 570572570 /nfs/dbraw/zinc/57/25/70/570572570.db2.gz SWAOMPRINYKXOJ-OALUTQOASA-N 0 0 398.572 4.153 40 0 GIABRN Fc1ccc(-c2csc(N3CCN(C(=S)Nc4ccccc4)CC3)n2)cc1 ZINC000001349290 570573033 /nfs/dbraw/zinc/57/30/33/570573033.db2.gz SMXXORAASHFFPD-UHFFFAOYSA-N 0 0 398.532 4.468 40 0 GIABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Cc1ccccc1Cl ZINC000225442871 570574570 /nfs/dbraw/zinc/57/45/70/570574570.db2.gz QSZOHRUKSRXXCJ-UHFFFAOYSA-N 0 0 376.243 4.245 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)NCc2ccc(OC(C)C)cc2)c1 ZINC000225446997 570574887 /nfs/dbraw/zinc/57/48/87/570574887.db2.gz IIBFSOLBEMLBDO-UHFFFAOYSA-N 0 0 392.908 4.400 40 0 GIABRN Cc1ccc(NC(=S)Nc2ccccc2C(=O)NCc2cccnc2)cc1 ZINC000225454984 570575866 /nfs/dbraw/zinc/57/58/66/570575866.db2.gz NQPWJCYBOSHHTC-UHFFFAOYSA-N 0 0 376.485 4.129 40 0 GIABRN COc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(F)cc4F)C3)n2)c1 ZINC000001360250 570576121 /nfs/dbraw/zinc/57/61/21/570576121.db2.gz KQBHBIDMCKXBNT-AWEZNQCLSA-N 0 0 399.397 4.043 40 0 GIABRN COc1ccc(-c2noc([C@H]3CCCN(C(=O)CCC4CCCC4)C3)n2)cc1 ZINC000001362563 570576756 /nfs/dbraw/zinc/57/67/56/570576756.db2.gz VKBPDDWNXMZFGV-SFHVURJKSA-N 0 0 383.492 4.422 40 0 GIABRN Cc1ccc(-c2noc([C@H]3CCCN(C(=O)c4c(F)cccc4F)C3)n2)cc1 ZINC000001363165 570577324 /nfs/dbraw/zinc/57/73/24/570577324.db2.gz YGJHPNPALYHQTP-HNNXBMFYSA-N 0 0 383.398 4.343 40 0 GIABRN O=C(Cc1cccs1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000001363651 570577609 /nfs/dbraw/zinc/57/76/09/570577609.db2.gz GCSZXCMDXWSXEK-CQSZACIVSA-N 0 0 387.892 4.400 40 0 GIABRN Cc1cccc(CSCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225474723 570578153 /nfs/dbraw/zinc/57/81/53/570578153.db2.gz BWOIQFGMBVUSFQ-IBGZPJMESA-N 0 0 398.572 4.170 40 0 GIABRN Cc1ccccc1CN(C(=O)Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)C ZINC000225488150 570579365 /nfs/dbraw/zinc/57/93/65/570579365.db2.gz QRDWVSDNWRJRLZ-QGZVFWFLSA-N 0 0 386.923 4.133 40 0 GIABRN Cc1cc(C)n(-c2nnc(SCC(=O)Nc3ccccc3)c3ccccc32)n1 ZINC000001366864 570579723 /nfs/dbraw/zinc/57/97/23/570579723.db2.gz PSHHDWCGOVWLBO-UHFFFAOYSA-N 0 0 389.484 4.163 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1C ZINC000225492186 570579902 /nfs/dbraw/zinc/57/99/02/570579902.db2.gz JWDWJISAOGMBCE-KNQAVFIVSA-N 0 0 380.532 4.260 40 0 GIABRN Cc1nccn1-c1ccc(CNC(=O)CSCc2ccc(Cl)cc2)cc1 ZINC000038753732 570581860 /nfs/dbraw/zinc/58/18/60/570581860.db2.gz ZCTDCHZOSHFNDG-UHFFFAOYSA-N 0 0 385.920 4.384 40 0 GIABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000038755250 570582210 /nfs/dbraw/zinc/58/22/10/570582210.db2.gz USXGTHOEHFSLNC-QFIPXVFZSA-N 0 0 392.474 4.485 40 0 GIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)COc1ccc(OC)cc1 ZINC000038755439 570582277 /nfs/dbraw/zinc/58/22/77/570582277.db2.gz UIHQJXLEJZPADE-KBXCAEBGSA-N 0 0 377.868 4.090 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(-n2ccnc2C)cc1 ZINC000038771895 570583034 /nfs/dbraw/zinc/58/30/34/570583034.db2.gz JISJNWQUWPZCHL-OAQYLSRUSA-N 0 0 377.488 4.271 40 0 GIABRN CSc1ccc(NC(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)cc1 ZINC000001380775 570583697 /nfs/dbraw/zinc/58/36/97/570583697.db2.gz QCUMDPQJKHSVHP-UHFFFAOYSA-N 0 0 385.468 4.161 40 0 GIABRN CC(C)C[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC1CCCCC1 ZINC000001381317 570584013 /nfs/dbraw/zinc/58/40/13/570584013.db2.gz IQHVCHXRXFYVSX-LLVKDONJSA-N 0 0 393.336 4.470 40 0 GIABRN COc1ccc2c(c1)[C@H](NC(=O)COc1cccc3c1CCCC3)CC(C)(C)O2 ZINC000225547748 570586644 /nfs/dbraw/zinc/58/66/44/570586644.db2.gz HJDLXWYYASZGRY-HXUWFJFHSA-N 0 0 395.499 4.371 40 0 GIABRN COc1ccc2c(c1)[C@@H](NC(=O)COc1cccc3c1CCCC3)CC(C)(C)O2 ZINC000225547717 570586690 /nfs/dbraw/zinc/58/66/90/570586690.db2.gz HJDLXWYYASZGRY-FQEVSTJZSA-N 0 0 395.499 4.371 40 0 GIABRN COc1ccc(CCCNC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000225557691 570588088 /nfs/dbraw/zinc/58/80/88/570588088.db2.gz ARQUSPWNESSWGY-UHFFFAOYSA-N 0 0 397.544 4.050 40 0 GIABRN CC(C)OCCCNC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038858612 570588223 /nfs/dbraw/zinc/58/82/23/570588223.db2.gz PEAMTKRYZYRZME-OAHLLOKOSA-N 0 0 387.351 4.137 40 0 GIABRN O=C(NCCSC1CCCC1)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225591258 570591825 /nfs/dbraw/zinc/59/18/25/570591825.db2.gz NBNLTNLHNRCLTR-UHFFFAOYSA-N 0 0 398.975 4.483 40 0 GIABRN CCOc1ccc(CCCNC(=O)Cc2cccc(Br)c2)cc1 ZINC000225620923 570595104 /nfs/dbraw/zinc/59/51/04/570595104.db2.gz NYGWBDDEYGJFQY-UHFFFAOYSA-N 0 0 376.294 4.139 40 0 GIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000225634871 570596445 /nfs/dbraw/zinc/59/64/45/570596445.db2.gz RTBZDECRLVGOJR-QGZVFWFLSA-N 0 0 399.472 4.018 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)COc2ccccc2C)c1 ZINC000225636659 570596890 /nfs/dbraw/zinc/59/68/90/570596890.db2.gz RAMXKNTUCDXREL-INIZCTEOSA-N 0 0 386.517 4.234 40 0 GIABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(C(=O)N(C)C)cc1 ZINC000225680146 570602329 /nfs/dbraw/zinc/60/23/29/570602329.db2.gz JWUXVUXABISPGQ-GOSISDBHSA-N 0 0 397.544 4.286 40 0 GIABRN CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCSc1ccccc1 ZINC000225682864 570602704 /nfs/dbraw/zinc/60/27/04/570602704.db2.gz HXUWPDHXORYLAH-LJQANCHMSA-N 0 0 398.572 4.153 40 0 GIABRN CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225696038 570604421 /nfs/dbraw/zinc/60/44/21/570604421.db2.gz AWMVTVRYBMAXNT-HXUWFJFHSA-N 0 0 394.559 4.166 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CSCc1ccccc1 ZINC000225699910 570605626 /nfs/dbraw/zinc/60/56/26/570605626.db2.gz FJRPHHHHZJHYCO-NRFANRHFSA-N 0 0 398.572 4.252 40 0 GIABRN CC(C)Oc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000225700864 570605707 /nfs/dbraw/zinc/60/57/07/570605707.db2.gz JBWYDJJMVNNJMS-HKWRFOASSA-N 0 0 390.439 4.476 40 0 GIABRN COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1cccc(N2CCCC2=O)c1 ZINC000225705293 570606577 /nfs/dbraw/zinc/60/65/77/570606577.db2.gz HXMPVDCFSMYRCT-FQEVSTJZSA-N 0 0 395.528 4.186 40 0 GIABRN Cc1ccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)cc1C ZINC000225727445 570609714 /nfs/dbraw/zinc/60/97/14/570609714.db2.gz FVFQFFDVQVPZRA-UHFFFAOYSA-N 0 0 385.261 4.020 40 0 GIABRN Cc1ccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)c(C)c1 ZINC000225727290 570609815 /nfs/dbraw/zinc/60/98/15/570609815.db2.gz VCHDCIJIVLWYPU-UHFFFAOYSA-N 0 0 385.261 4.020 40 0 GIABRN CCC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000225760225 570614231 /nfs/dbraw/zinc/61/42/31/570614231.db2.gz KUTYKWPAGHPLII-QFIPXVFZSA-N 0 0 380.532 4.117 40 0 GIABRN O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1ccc(C(F)(F)F)cc1 ZINC000225799871 570618480 /nfs/dbraw/zinc/61/84/80/570618480.db2.gz TURCVUYHJJCYFI-UHFFFAOYSA-N 0 0 379.313 4.466 40 0 GIABRN CC[C@H](C)Oc1ccc(NC(=O)C2(OC)CCCCCC2)cc1C(=O)OC ZINC000225806210 570619365 /nfs/dbraw/zinc/61/93/65/570619365.db2.gz TZIAFMOLXIDOTE-HNNXBMFYSA-N 0 0 377.481 4.328 40 0 GIABRN CN(Cc1ccccc1)C(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000225804743 570619370 /nfs/dbraw/zinc/61/93/70/570619370.db2.gz KTYRIAVMCLPRIL-UHFFFAOYSA-N 0 0 389.377 4.347 40 0 GIABRN CCOC(=O)c1cc(NC(=O)C2(OC)CCCCCC2)ccc1OC(C)C ZINC000225806326 570619457 /nfs/dbraw/zinc/61/94/57/570619457.db2.gz QAMKIDGWFBMEOA-UHFFFAOYSA-N 0 0 377.481 4.328 40 0 GIABRN CCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C(=O)OCC ZINC000225808047 570619916 /nfs/dbraw/zinc/61/99/16/570619916.db2.gz WLSKODHMQZUMEE-BTYIYWSLSA-N 0 0 377.481 4.186 40 0 GIABRN COCCCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccccc1 ZINC000004161266 570619888 /nfs/dbraw/zinc/61/98/88/570619888.db2.gz NYTNWBYYBCHNPM-UHFFFAOYSA-N 0 0 396.516 4.021 40 0 GIABRN Cc1cccc(CSCCNC(=O)COc2cccc(C(F)(F)F)c2)c1 ZINC000225810470 570620142 /nfs/dbraw/zinc/62/01/42/570620142.db2.gz PBMHETBGJWCMPJ-UHFFFAOYSA-N 0 0 383.435 4.442 40 0 GIABRN Cc1cc2cc3c(cc2nc1SCC(=O)N1[C@H](C)CCC[C@H]1C)OCCO3 ZINC000004170933 570621535 /nfs/dbraw/zinc/62/15/35/570621535.db2.gz GUXXHKDTEQIVJF-HUUCEWRRSA-N 0 0 386.517 4.196 40 0 GIABRN CCOC(=O)c1cc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)ccc1OCC ZINC000225831757 570623331 /nfs/dbraw/zinc/62/33/31/570623331.db2.gz OURVWLJIQVOXNN-VFNWGFHPSA-N 0 0 377.481 4.186 40 0 GIABRN Cc1nnc(NC(=O)CSc2nc(C(C)C)nc3sc(C)c(C)c32)s1 ZINC000004217506 570623415 /nfs/dbraw/zinc/62/34/15/570623415.db2.gz NFNWPBGVSXOZGV-UHFFFAOYSA-N 0 0 393.563 4.322 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)NCc2cccc(OC)c2)cc1Cl ZINC000225834795 570623834 /nfs/dbraw/zinc/62/38/34/570623834.db2.gz HGSUPYCETAUHFE-UHFFFAOYSA-N 0 0 378.881 4.012 40 0 GIABRN CCCCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)cc1C(=O)OCC ZINC000225836008 570623861 /nfs/dbraw/zinc/62/38/61/570623861.db2.gz MCUSJJCEOGVXBC-NRFANRHFSA-N 0 0 377.481 4.186 40 0 GIABRN COc1ccccc1CN(CCCn1ccnc1)Cc1c(C)nc2sccn12 ZINC000043277816 570626953 /nfs/dbraw/zinc/62/69/53/570626953.db2.gz CSEAFLOUMSFKJB-UHFFFAOYSA-N 0 0 395.532 4.002 40 0 GIABRN COc1ccc(C2(NC(=S)Nc3ccc4c(c3)OCCO4)CCCC2)cc1 ZINC000225857757 570627403 /nfs/dbraw/zinc/62/74/03/570627403.db2.gz SBXPFOHOWKPRNI-UHFFFAOYSA-N 0 0 384.501 4.222 40 0 GIABRN Cc1cc(NC(=S)NC2(c3ccccn3)CCCC2)ccc1N1CCCC1=O ZINC000225869602 570628978 /nfs/dbraw/zinc/62/89/78/570628978.db2.gz ILOJLKUQKQXDHH-UHFFFAOYSA-N 0 0 394.544 4.273 40 0 GIABRN COc1ccc(NC(=S)NC2(c3cccnc3)CCCC2)c2cccnc12 ZINC000225877373 570629613 /nfs/dbraw/zinc/62/96/13/570629613.db2.gz TUCKBUKFKIOUIG-UHFFFAOYSA-N 0 0 378.501 4.394 40 0 GIABRN CC(=O)Nc1cccc(NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)c1 ZINC000225918585 570633311 /nfs/dbraw/zinc/63/33/11/570633311.db2.gz YLBYGVQTSPLIND-UHFFFAOYSA-N 0 0 375.432 4.048 40 0 GIABRN COc1ccc(NC(=O)C2(C)COC(c3ccc(Cl)cc3)OC2)c(OC)c1 ZINC000225919211 570633600 /nfs/dbraw/zinc/63/36/00/570633600.db2.gz SYAMHWRJHWMIGH-UHFFFAOYSA-N 0 0 391.851 4.048 40 0 GIABRN O=C(COc1ccc(Br)cc1)NCc1ccc(Cl)cc1Cl ZINC000044836798 570634557 /nfs/dbraw/zinc/63/45/57/570634557.db2.gz URQGUTBSBHKMSQ-UHFFFAOYSA-N 0 0 389.076 4.451 40 0 GIABRN Cc1ccc(CNC(=S)Nc2nc(Cl)cc(N3CCCCCC3)n2)cc1 ZINC000225946692 570635431 /nfs/dbraw/zinc/63/54/31/570635431.db2.gz DEYAULVGQVPKCC-UHFFFAOYSA-N 0 0 389.956 4.305 40 0 GIABRN COc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)Cc3ccccc3C2)cc1 ZINC000225945305 570635457 /nfs/dbraw/zinc/63/54/57/570635457.db2.gz XZHXUBHJKSMLGI-UHFFFAOYSA-N 0 0 387.435 4.099 40 0 GIABRN C[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)C1 ZINC000044880394 570638102 /nfs/dbraw/zinc/63/81/02/570638102.db2.gz JONJOYUCLGNNDL-CQSZACIVSA-N 0 0 392.908 4.013 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)c2cc3cccc(C)c3oc2=O)cc1 ZINC000226035722 570639070 /nfs/dbraw/zinc/63/90/70/570639070.db2.gz LZWJKPNPKQHNHB-UHFFFAOYSA-N 0 0 379.412 4.311 40 0 GIABRN Cc1cccc(N2CCN(C(=O)c3cc4cc(Cl)ccc4oc3=O)CC2)c1C ZINC000226042339 570639498 /nfs/dbraw/zinc/63/94/98/570639498.db2.gz PERPRIUFCFCPIP-UHFFFAOYSA-N 0 0 396.874 4.026 40 0 GIABRN CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccoc1C ZINC000004860661 570640561 /nfs/dbraw/zinc/64/05/61/570640561.db2.gz DDOOOZOQQUMPJT-UHFFFAOYSA-N 0 0 376.869 4.251 40 0 GIABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cn3ccnc3)cc2)cc1OCC ZINC000044905664 570641981 /nfs/dbraw/zinc/64/19/81/570641981.db2.gz SGXZDNLRONUBDB-QGZVFWFLSA-N 0 0 393.487 4.220 40 0 GIABRN CCOc1ccccc1CCCNC(=O)c1ccc(Cn2ccnc2C)cc1 ZINC000044909997 570642258 /nfs/dbraw/zinc/64/22/58/570642258.db2.gz OJEUDOWSUIXFIY-UHFFFAOYSA-N 0 0 377.488 4.001 40 0 GIABRN Cc1ccccc1C(=O)NC1CCN(C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000004888644 570643510 /nfs/dbraw/zinc/64/35/10/570643510.db2.gz VCIRILXMMGOVFZ-UHFFFAOYSA-N 0 0 387.936 4.240 40 0 GIABRN COc1ccc(SCC(=O)N2CCC(Cc3ccccc3)CC2)cc1OC ZINC000044945580 570644752 /nfs/dbraw/zinc/64/47/52/570644752.db2.gz PHURBBAQZCINQP-UHFFFAOYSA-N 0 0 385.529 4.277 40 0 GIABRN O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccc(-n2cnnc2)cc1Cl ZINC000012361846 570645981 /nfs/dbraw/zinc/64/59/81/570645981.db2.gz SGBWQPNXRJOJRV-UHFFFAOYSA-N 0 0 387.270 4.383 40 0 GIABRN O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000033763108 570647239 /nfs/dbraw/zinc/64/72/39/570647239.db2.gz QKNNJOZSNRWRGG-UHFFFAOYSA-N 0 0 379.272 4.305 40 0 GIABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3F)o2)c1C ZINC000059176174 570651194 /nfs/dbraw/zinc/65/11/94/570651194.db2.gz KWOURQKZPVSMJU-UHFFFAOYSA-N 0 0 387.436 4.135 40 0 GIABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(F)cc3)o2)c1C ZINC000059176153 570651292 /nfs/dbraw/zinc/65/12/92/570651292.db2.gz WAOXRHLWYPVPRF-UHFFFAOYSA-N 0 0 387.436 4.135 40 0 GIABRN O=C(Cc1ccccc1)Nc1cccn(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000005000923 570651461 /nfs/dbraw/zinc/65/14/61/570651461.db2.gz YMTFQQFVHDBMPB-UHFFFAOYSA-N 0 0 386.373 4.097 40 0 GIABRN COc1c(C)cccc1C(=O)Nc1cc(C)c(I)c(C)c1 ZINC000059294528 570653425 /nfs/dbraw/zinc/65/34/25/570653425.db2.gz XRWUXLGUGFLZIY-UHFFFAOYSA-N 0 0 395.240 4.477 40 0 GIABRN Cc1ccc(C(=O)NC(=S)Nc2c3nsnc3ccc2C)c(Cl)c1 ZINC000059294607 570653504 /nfs/dbraw/zinc/65/35/04/570653504.db2.gz GZYXZVKXIZWZOT-UHFFFAOYSA-N 0 0 376.894 4.088 40 0 GIABRN O=C(Nc1cccc2ccccc21)C1CCN(C(=O)NCc2ccccc2)CC1 ZINC000004965507 570653892 /nfs/dbraw/zinc/65/38/92/570653892.db2.gz XJAHUNZMUTVNQS-UHFFFAOYSA-N 0 0 387.483 4.400 40 0 GIABRN CCCCn1c(SCC(=O)Nc2ccc(F)cc2)nc2ccccc2c1=O ZINC000005014286 570657429 /nfs/dbraw/zinc/65/74/29/570657429.db2.gz OBKMWVSAKMGJNG-UHFFFAOYSA-N 0 0 385.464 4.067 40 0 GIABRN O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)c1ccccc1 ZINC000005630507 570665996 /nfs/dbraw/zinc/66/59/96/570665996.db2.gz JHRPBYHEVWRQAB-GOSISDBHSA-N 0 0 397.475 4.238 40 0 GIABRN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)cs2)c(C)c1 ZINC000006680667 570674421 /nfs/dbraw/zinc/67/44/21/570674421.db2.gz GHWOHDHGANFEFE-UHFFFAOYSA-N 0 0 392.546 4.038 40 0 GIABRN C[C@@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccccc3Cl)c2)C1 ZINC000006680924 570674797 /nfs/dbraw/zinc/67/47/97/570674797.db2.gz YVQPMBBULKEKPN-GFCCVEGCSA-N 0 0 398.937 4.074 40 0 GIABRN CCOc1cc2c(cc1[C@@H]1[C@H](c3ccccn3)N=C3SC[C@H](CC)N31)OCO2 ZINC000260766052 570704371 /nfs/dbraw/zinc/70/43/71/570704371.db2.gz IURPESXPDIBJPM-QTJFZDIUSA-N 0 0 397.500 4.188 40 0 GIABRN Brc1ccc(-c2cs/c(=N\c3ccccc3)n2-n2cnnc2)cc1 ZINC000100052959 570707062 /nfs/dbraw/zinc/70/70/62/570707062.db2.gz VMHQFEDQYTXWMR-FXBPSFAMSA-N 0 0 398.289 4.114 40 0 GIABRN C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000000829470 570709854 /nfs/dbraw/zinc/70/98/54/570709854.db2.gz KBPNBGORDWFPDF-CQSZACIVSA-N 0 0 381.457 4.064 40 0 GIABRN COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@]12C[C@H]3C[C@H](CC(Cl)(C3)C1)C2 ZINC000100823429 570711204 /nfs/dbraw/zinc/71/12/04/570711204.db2.gz FYOQZXZMHZKLLH-XYQNOUPUSA-N 0 0 386.879 4.471 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1C[C@H]1CCCO1 ZINC000260910175 570714056 /nfs/dbraw/zinc/71/40/56/570714056.db2.gz CENZMXQLBFTGEW-UIFIKXQLSA-N 0 0 396.560 4.150 40 0 GIABRN Cc1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102731135 570720599 /nfs/dbraw/zinc/72/05/99/570720599.db2.gz HMGLOWXPANVKNZ-XPWALMASSA-N 0 0 398.462 4.042 40 0 GIABRN Cc1ccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccccc2)cc1C ZINC000004835587 570730644 /nfs/dbraw/zinc/73/06/44/570730644.db2.gz OAGGWBQTJIIQNN-UHFFFAOYSA-N 0 0 394.544 4.415 40 0 GIABRN Cc1cc(C)cc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000005688010 570734340 /nfs/dbraw/zinc/73/43/40/570734340.db2.gz WNNDJWLHZXAZAF-UHFFFAOYSA-N 0 0 386.517 4.039 40 0 GIABRN C[C@@]12C(=O)N(c3ccccc3O)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 ZINC000005677112 570735188 /nfs/dbraw/zinc/73/51/88/570735188.db2.gz XTKSKFBQGXFLTL-SGDKSWKTSA-N 0 0 381.431 4.179 40 0 GIABRN Cc1ccc(F)c(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)c1 ZINC000005986772 570737150 /nfs/dbraw/zinc/73/71/50/570737150.db2.gz IGVOLSZMXOTEDR-UHFFFAOYSA-N 0 0 389.224 4.303 40 0 GIABRN O=C(Nc1ccccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000005985643 570737269 /nfs/dbraw/zinc/73/72/69/570737269.db2.gz OMJKHCMOLBCRAY-UHFFFAOYSA-N 0 0 386.860 4.393 40 0 GIABRN CC1CCN(C(=O)Cn2cc(C(=O)COc3ccccc3)c3ccccc32)CC1 ZINC000006349524 570741224 /nfs/dbraw/zinc/74/12/24/570741224.db2.gz HIUCRCRXYGLECN-UHFFFAOYSA-N 0 0 390.483 4.162 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(C)c1 ZINC000006368704 570741702 /nfs/dbraw/zinc/74/17/02/570741702.db2.gz ZUOHNRUBLYOBDK-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)/C=C/c2ccco2)cc1 ZINC000006630380 570748182 /nfs/dbraw/zinc/74/81/82/570748182.db2.gz IWUVNESUWNDAKH-VAWYXSNFSA-N 0 0 376.412 4.098 40 0 GIABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccccc2OC)cc1 ZINC000006630420 570748376 /nfs/dbraw/zinc/74/83/76/570748376.db2.gz NLTLORBUIPKFSO-UHFFFAOYSA-N 0 0 390.439 4.114 40 0 GIABRN Cc1cc(C)c(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1 ZINC000006825434 570751797 /nfs/dbraw/zinc/75/17/97/570751797.db2.gz FPAJPGGCNYCMTJ-OAHLLOKOSA-N 0 0 394.924 4.058 40 0 GIABRN CCCOc1ccc(N2C[C@@H](C(=O)Nc3cccc(OC(C)C)c3)CC2=O)cc1 ZINC000006880996 570752744 /nfs/dbraw/zinc/75/27/44/570752744.db2.gz BWNZIEFGPJZXJM-KRWDZBQOSA-N 0 0 396.487 4.254 40 0 GIABRN O=C1S/C(=C\c2ccccn2)C(=O)N1Cc1ccccc1Br ZINC000006971806 570754461 /nfs/dbraw/zinc/75/44/61/570754461.db2.gz UCIDDIKXFLRHFX-ZROIWOOFSA-N 0 0 375.247 4.081 40 0 GIABRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1OCC ZINC000007361208 570758379 /nfs/dbraw/zinc/75/83/79/570758379.db2.gz XAXRVHRZVAPLAW-UHFFFAOYSA-N 0 0 389.395 4.304 40 0 GIABRN CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(OC)ccc4O)OCC[C@@]31C2 ZINC000257204331 570760686 /nfs/dbraw/zinc/76/06/86/570760686.db2.gz AUAXLFHDQGUANC-OJEZNDAVSA-N 0 0 387.520 4.200 40 0 GIABRN COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cccnc2)o1 ZINC000257206833 570760722 /nfs/dbraw/zinc/76/07/22/570760722.db2.gz BFBSJWRNOSMFNO-IBGZPJMESA-N 0 0 377.444 4.036 40 0 GIABRN CC(C)C[C@]1(O)CCN(C(=O)c2ccccc2Cl)C[C@@H]1Oc1ccccc1 ZINC000257208441 570761226 /nfs/dbraw/zinc/76/12/26/570761226.db2.gz BMDZGNVOWNCXRI-RBBKRZOGSA-N 0 0 387.907 4.411 40 0 GIABRN Cc1cccnc1C(=O)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257214066 570761664 /nfs/dbraw/zinc/76/16/64/570761664.db2.gz CKJMHYWQVMHKNU-KRWDZBQOSA-N 0 0 379.435 4.128 40 0 GIABRN CCc1c2cc(C)ccc2[nH]c1C(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257211877 570761753 /nfs/dbraw/zinc/76/17/53/570761753.db2.gz CAXAZGQHIUFTPW-URXFXBBRSA-N 0 0 392.499 4.083 40 0 GIABRN O=C(COc1cccnc1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257221174 570763066 /nfs/dbraw/zinc/76/30/66/570763066.db2.gz DNUSTLFLRRDDBB-LJQANCHMSA-N 0 0 397.862 4.056 40 0 GIABRN CCc1ccccc1NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000008041761 570763623 /nfs/dbraw/zinc/76/36/23/570763623.db2.gz NSJGVQCZWUBSII-UHFFFAOYSA-N 0 0 394.924 4.087 40 0 GIABRN Cc1noc(C)c1-c1cc(C2CCN(C(=O)c3ncccc3C)CC2)ccn1 ZINC000257232426 570765502 /nfs/dbraw/zinc/76/55/02/570765502.db2.gz GKUJDDQVJOVKSU-UHFFFAOYSA-N 0 0 376.460 4.077 40 0 GIABRN CCOc1cc(CNn2cn[nH]c2=S)cc(Cl)c1OCc1ccccc1 ZINC000008254092 570765838 /nfs/dbraw/zinc/76/58/38/570765838.db2.gz NXWVAFQVSDPCSP-UHFFFAOYSA-N 0 0 390.896 4.315 40 0 GIABRN CC(C)Oc1cccc(CCCNS(=O)(=O)Cc2ccc(Cl)cc2)c1 ZINC000013648126 570766983 /nfs/dbraw/zinc/76/69/83/570766983.db2.gz QPCGZNATFTUYBP-UHFFFAOYSA-N 0 0 381.925 4.179 40 0 GIABRN CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000008196094 570767721 /nfs/dbraw/zinc/76/77/21/570767721.db2.gz SGAPDJGNHJUDPL-XSXQVXRUSA-N 0 0 386.561 4.437 40 0 GIABRN CC(C)(C)OC(=O)N1CC[C@H]2O[C@H]3c4ccc(O)cc4OC(C)(C)[C@@H]3C[C@@H]2C1 ZINC000257251296 570770146 /nfs/dbraw/zinc/77/01/46/570770146.db2.gz JQDFLDIGEQHELA-QUIPCFFLSA-N 0 0 389.492 4.266 40 0 GIABRN Cc1cnn(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)c1 ZINC000257255123 570770927 /nfs/dbraw/zinc/77/09/27/570770927.db2.gz KGELGDSSAXLCJJ-IBGZPJMESA-N 0 0 398.894 4.178 40 0 GIABRN CCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)CC)CC1 ZINC000257257486 570771002 /nfs/dbraw/zinc/77/10/02/570771002.db2.gz KPVDVKHIOSEQCT-UHFFFAOYSA-N 0 0 392.543 4.441 40 0 GIABRN CCC(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)(C(=O)NC(C)C)CC1 ZINC000257258475 570771485 /nfs/dbraw/zinc/77/14/85/570771485.db2.gz KUCXRVCGVAPLBV-UHFFFAOYSA-N 0 0 392.543 4.440 40 0 GIABRN CC(C)(C)c1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)[nH]n1 ZINC000257259322 570771603 /nfs/dbraw/zinc/77/16/03/570771603.db2.gz KXUKHSKMVVGHHZ-QGZVFWFLSA-N 0 0 392.503 4.306 40 0 GIABRN CCN(C(=O)c1c[nH]nc1C1CCN(C(=O)CC(C)(C)C)CC1)c1ccccc1 ZINC000257265539 570772434 /nfs/dbraw/zinc/77/24/34/570772434.db2.gz LZBPQGJWYKOGOP-UHFFFAOYSA-N 0 0 396.535 4.219 40 0 GIABRN CCC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000008810294 570772451 /nfs/dbraw/zinc/77/24/51/570772451.db2.gz GLCGLKZMHZXHTP-GFCCVEGCSA-N 0 0 398.887 4.198 40 0 GIABRN CN(C)C(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)C2CC2)CC1 ZINC000257269684 570773114 /nfs/dbraw/zinc/77/31/14/570773114.db2.gz MQYDBPJTPUFKHW-UHFFFAOYSA-N 0 0 396.556 4.065 40 0 GIABRN Cc1nccc(C[NH+]2CCC3(CC2)CO[C@@H]2c4ccccc4OC(C)(C)[C@H]2C3)n1 ZINC000257271883 570773334 /nfs/dbraw/zinc/77/33/34/570773334.db2.gz NAEFWLOYXWUOFP-RBBKRZOGSA-N 0 0 393.531 4.316 40 0 GIABRN CCOc1ccc(C(=O)Nc2nc3ccc(C(=O)OC)cc3s2)cc1Cl ZINC000008904227 570773810 /nfs/dbraw/zinc/77/38/10/570773810.db2.gz JQFAIULFQMTEPV-UHFFFAOYSA-N 0 0 390.848 4.387 40 0 GIABRN O=C(c1cnccn1)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257278184 570774247 /nfs/dbraw/zinc/77/42/47/570774247.db2.gz OBERTFBGKOBLOC-SFHVURJKSA-N 0 0 382.851 4.076 40 0 GIABRN Cc1nccc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)n1 ZINC000257276221 570774284 /nfs/dbraw/zinc/77/42/84/570774284.db2.gz NSWBGZVRWDIOBN-MRXNPFEDSA-N 0 0 396.878 4.037 40 0 GIABRN CCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc5c(c4)OCCO5)OCC[C@]13C2 ZINC000257281511 570775553 /nfs/dbraw/zinc/77/55/53/570775553.db2.gz OPOFVAXNQAKOIT-VISFHTIBSA-N 0 0 399.531 4.257 40 0 GIABRN Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCCN2C(=O)c2ccc(C)nc2)n1 ZINC000257285824 570776102 /nfs/dbraw/zinc/77/61/02/570776102.db2.gz PJAKICIKWUXMQM-LJQANCHMSA-N 0 0 391.475 4.128 40 0 GIABRN O=C(COc1cccnc1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257290282 570776577 /nfs/dbraw/zinc/77/65/77/570776577.db2.gz QCGWQHUPKFLASB-IBGZPJMESA-N 0 0 397.862 4.056 40 0 GIABRN COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)C(C)C)cc1O ZINC000257296474 570777320 /nfs/dbraw/zinc/77/73/20/570777320.db2.gz RCZKTEVSDUUDGS-DXANDOGBSA-N 0 0 387.520 4.055 40 0 GIABRN Cc1noc(C)c1-c1cc(C)nc([C@@H]2CCCCN2Cc2ccncc2C)n1 ZINC000257299842 570778114 /nfs/dbraw/zinc/77/81/14/570778114.db2.gz RRVGHAAVNDRCQY-FQEVSTJZSA-N 0 0 377.492 4.487 40 0 GIABRN O=C(C1CCCC1)N1CCO[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000257305854 570778898 /nfs/dbraw/zinc/77/88/98/570778898.db2.gz SRVUQYGDCSOPTL-NRFANRHFSA-N 0 0 384.907 4.416 40 0 GIABRN CCC[C@H]1CCN(C(=O)Cc2ccc(O)c(OC)c2)C[C@H]1Nc1ccccc1 ZINC000257319208 570780955 /nfs/dbraw/zinc/78/09/55/570780955.db2.gz VRHHZEUZTFKOJI-AZUAARDMSA-N 0 0 382.504 4.073 40 0 GIABRN C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(C(=O)NCCc3ccc(O)cc3)ccc1OC2(C)C ZINC000257326834 570781800 /nfs/dbraw/zinc/78/18/00/570781800.db2.gz WYUGAKRDDMMHQA-QPJICYPMSA-N 0 0 395.499 4.392 40 0 GIABRN Cc1ccccc1OCC(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257328211 570782605 /nfs/dbraw/zinc/78/26/05/570782605.db2.gz XEQYQUYPNABPBP-HXUWFJFHSA-N 0 0 394.446 4.455 40 0 GIABRN Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)c3cccc(F)c3)C2)n1 ZINC000257334422 570783446 /nfs/dbraw/zinc/78/34/46/570783446.db2.gz YFUKILZYFOWAPB-INIZCTEOSA-N 0 0 379.435 4.197 40 0 GIABRN COc1ccc(-c2ccccc2)cc1[C@H]1C[C@@H](NC(C)=O)CC2(CCOCC2)O1 ZINC000257335440 570783466 /nfs/dbraw/zinc/78/34/66/570783466.db2.gz YKDXUZXJZQHANO-NFBKMPQASA-N 0 0 395.499 4.268 40 0 GIABRN Cc1noc(C)c1-c1ccc2ccn(CC(=O)NCc3cccc(Cl)c3)c2n1 ZINC000257336277 570783467 /nfs/dbraw/zinc/78/34/67/570783467.db2.gz YNSWHZGUYOHMDJ-UHFFFAOYSA-N 0 0 394.862 4.278 40 0 GIABRN Cc1nccc(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)n1 ZINC000257335980 570783494 /nfs/dbraw/zinc/78/34/94/570783494.db2.gz YMQJHCIXYUKYPW-INIZCTEOSA-N 0 0 396.878 4.037 40 0 GIABRN O=C(Nc1nccs1)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 ZINC000257339277 570783889 /nfs/dbraw/zinc/78/38/89/570783889.db2.gz ZBACZNGMFPENPY-UHFFFAOYSA-N 0 0 379.485 4.183 40 0 GIABRN CC(C)c1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)on1 ZINC000257340299 570784668 /nfs/dbraw/zinc/78/46/68/570784668.db2.gz ZFKGJWDROLHGJL-QGZVFWFLSA-N 0 0 379.460 4.397 40 0 GIABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000010324901 570789231 /nfs/dbraw/zinc/78/92/31/570789231.db2.gz JUGPWPIYJJPLQX-UHFFFAOYSA-N 0 0 399.487 4.359 40 0 GIABRN COc1cccc(OC)c1C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000010542705 570791542 /nfs/dbraw/zinc/79/15/42/570791542.db2.gz XXEKXVIZGMPLKM-UHFFFAOYSA-N 0 0 395.430 4.352 40 0 GIABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(I)cc2)cc1 ZINC000010977877 570793347 /nfs/dbraw/zinc/79/33/47/570793347.db2.gz ONYGXJFNYJHYTG-GFCCVEGCSA-N 0 0 395.240 4.181 40 0 GIABRN Cc1ccc2cc(CNc3cccc(I)c3)c(=O)[nH]c2c1 ZINC000012492433 570807605 /nfs/dbraw/zinc/80/76/05/570807605.db2.gz LZQMGWGHJHGYCH-UHFFFAOYSA-N 0 0 390.224 4.053 40 0 GIABRN Fc1ccc(Nc2cc(Cl)nc(-c3cccnc3)n2)c(Br)c1 ZINC000329013593 570864713 /nfs/dbraw/zinc/86/47/13/570864713.db2.gz MQXSFSWGCRZFGS-UHFFFAOYSA-N 0 0 379.620 4.259 40 0 GIABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C)n2C)c(C)c1 ZINC000013879463 570864938 /nfs/dbraw/zinc/86/49/38/570864938.db2.gz DGOWNSONEIWUHE-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN O=C(COc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000014002796 570874693 /nfs/dbraw/zinc/87/46/93/570874693.db2.gz HCGWGCGYDMNLCK-UHFFFAOYSA-N 0 0 386.879 4.374 40 0 GIABRN O=c1c2c3c(c[nH]c-2nn1-c1ccccc1)C(=O)C[C@@H](/C=C/c1ccccc1)C3 ZINC000014163924 570878942 /nfs/dbraw/zinc/87/89/42/570878942.db2.gz MHLPHZDOJLUVPD-FLVLSHQESA-N 0 0 381.435 4.172 40 0 GIABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Br)cc1F ZINC000014399684 570884514 /nfs/dbraw/zinc/88/45/14/570884514.db2.gz KMOWJZSCXNNIJR-INIZCTEOSA-N 0 0 382.229 4.393 40 0 GIABRN CCc1ccc(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000014400163 570891447 /nfs/dbraw/zinc/89/14/47/570891447.db2.gz OSVLARPPHUVAOB-UHFFFAOYSA-N 0 0 388.533 4.051 40 0 GIABRN O=C(Cc1ccccc1)NC[C@H]1CC[C@H](c2nnc(-c3cccs3)o2)CC1 ZINC000257283266 570902571 /nfs/dbraw/zinc/90/25/71/570902571.db2.gz OXODCIXVGUVTPY-QAQDUYKDSA-N 0 0 381.501 4.431 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)c1 ZINC000015344750 570904702 /nfs/dbraw/zinc/90/47/02/570904702.db2.gz SRKOJUVAEVDNJD-UHFFFAOYSA-N 0 0 386.517 4.167 40 0 GIABRN CCOC(=O)C1=C(C)NC(SCC(C)C)=N[C@@H]1c1ccccc1OCC ZINC000033698929 570910568 /nfs/dbraw/zinc/91/05/68/570910568.db2.gz ZOGLCKPMGUHFIM-GOSISDBHSA-N 0 0 376.522 4.312 40 0 GIABRN Cc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCCC2)c(C)c1 ZINC000016438683 570913829 /nfs/dbraw/zinc/91/38/29/570913829.db2.gz UZQLXYXEJAGYKB-LDADJPATSA-N 0 0 390.443 4.358 40 0 GIABRN C[C@@H](CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000042646682 570914780 /nfs/dbraw/zinc/91/47/80/570914780.db2.gz FFNKHHONVUKGBR-NSHDSACASA-N 0 0 384.785 4.217 40 0 GIABRN CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC000019521939 570928295 /nfs/dbraw/zinc/92/82/95/570928295.db2.gz WEHINQOISBBJEH-LOWVWBTDSA-N 0 0 381.398 4.166 40 0 GIABRN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1cc(Cl)ccc1Cl ZINC000019982923 570933678 /nfs/dbraw/zinc/93/36/78/570933678.db2.gz DEQHKTUEISICPG-UHFFFAOYSA-N 0 0 385.634 4.011 40 0 GIABRN Cc1ccc(CN2C[C@@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@@H]3C2)s1 ZINC000306125553 570936846 /nfs/dbraw/zinc/93/68/46/570936846.db2.gz CTTNPNRUQVOXTO-UYAOXDASSA-N 0 0 385.510 4.072 40 0 GIABRN O=C(c1ccoc1)N1CCC[C@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 ZINC000306126676 570937422 /nfs/dbraw/zinc/93/74/22/570937422.db2.gz FBTCYLCNTZBDIT-KRWDZBQOSA-N 0 0 390.418 4.148 40 0 GIABRN Cc1occc1C(=O)N1CCC[C@H](c2nc3ccc(-c4cccs4)cn3n2)C1 ZINC000306128193 570938094 /nfs/dbraw/zinc/93/80/94/570938094.db2.gz GTRFDKVEBPGRMV-INIZCTEOSA-N 0 0 392.484 4.379 40 0 GIABRN O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccc2ccccc2c1 ZINC000585111393 570941514 /nfs/dbraw/zinc/94/15/14/570941514.db2.gz RWTJPGQIKCFLPH-HSZRJFAPSA-N 0 0 397.478 4.128 40 0 GIABRN Cc1ccccc1-c1n[nH]c2c1CCN(C(=O)Cc1ccccc1Cl)CC2 ZINC000585110459 570944087 /nfs/dbraw/zinc/94/40/87/570944087.db2.gz YMVFKVFQODQJJG-UHFFFAOYSA-N 0 0 379.891 4.208 40 0 GIABRN O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000306143938 570946423 /nfs/dbraw/zinc/94/64/23/570946423.db2.gz YRGKKANZQLVBBM-QFBILLFUSA-N 0 0 387.551 4.232 40 0 GIABRN Clc1ncn(C23C[C@@H]4C[C@@H](CC(c5nnc(-c6cccs6)o5)(C4)C2)C3)n1 ZINC000002803326 570949888 /nfs/dbraw/zinc/94/98/88/570949888.db2.gz MLYQBYCPTXLHSO-CCHVVGMOSA-N 0 0 387.896 4.290 40 0 GIABRN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc2c(c1)CCCC2 ZINC000222935552 570951017 /nfs/dbraw/zinc/95/10/17/570951017.db2.gz QNMYUHVLPBXBGW-CYBMUJFWSA-N 0 0 394.334 4.367 40 0 GIABRN O=C(CCc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000199734219 570951649 /nfs/dbraw/zinc/95/16/49/570951649.db2.gz RMNVOHFJCZKQNE-UHFFFAOYSA-N 0 0 379.378 4.237 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@@H]2CCCCN2C(=O)Cc2ccc(C)cc2)on1 ZINC000019209679 570959908 /nfs/dbraw/zinc/95/99/08/570959908.db2.gz AOGQXVWXDSBOCP-FQEVSTJZSA-N 0 0 390.487 4.353 40 0 GIABRN Cc1ccc(-c2nnc(CNC(=O)Cc3ccc(Cl)c(Cl)c3)o2)s1 ZINC000019217897 570962353 /nfs/dbraw/zinc/96/23/53/570962353.db2.gz HOCLNSHVSPMDLU-UHFFFAOYSA-N 0 0 382.272 4.272 40 0 GIABRN Cc1ccc2[nH]c([C@H]3CCCCN3C(=O)c3ccc(Cn4cccn4)o3)nc2c1 ZINC000019221495 570963299 /nfs/dbraw/zinc/96/32/99/570963299.db2.gz YPFKRLXMXQUVCU-LJQANCHMSA-N 0 0 389.459 4.077 40 0 GIABRN COc1nc2cc(C)ccc2cc1CN(Cc1ccccn1)C[C@H]1CCCO1 ZINC000019234262 570965087 /nfs/dbraw/zinc/96/50/87/570965087.db2.gz ZOVWSZGHYUTRPT-OAQYLSRUSA-N 0 0 377.488 4.128 40 0 GIABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)CC(C)C)C1 ZINC000019235467 570965861 /nfs/dbraw/zinc/96/58/61/570965861.db2.gz FTLOOMASYMPCHI-VWLOTQADSA-N 0 0 392.543 4.215 40 0 GIABRN Cc1cccc2[nH]c(C(=O)NCCn3cc(-c4ccncc4)c(C4CC4)n3)cc21 ZINC000019236684 570966318 /nfs/dbraw/zinc/96/63/18/570966318.db2.gz IRWCTBKKNOLJLL-UHFFFAOYSA-N 0 0 385.471 4.042 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@@H]2CCCCN2C(=O)Cc2ccccc2C)on1 ZINC000019237082 570966939 /nfs/dbraw/zinc/96/69/39/570966939.db2.gz NUFXPORULAQHSX-FQEVSTJZSA-N 0 0 390.487 4.353 40 0 GIABRN COCCCN(Cc1c(C)nn(-c2ccccc2C)c1C)Cc1ccccn1 ZINC000019237579 570967441 /nfs/dbraw/zinc/96/74/41/570967441.db2.gz BHZSHSSUIICSGN-UHFFFAOYSA-N 0 0 378.520 4.231 40 0 GIABRN COc1ccc(CNc2ncc(-c3ccccc3F)c(-c3nccn3C)n2)cc1 ZINC000019291704 570972232 /nfs/dbraw/zinc/97/22/32/570972232.db2.gz QOAYSAXNGDRRNC-UHFFFAOYSA-N 0 0 389.434 4.304 40 0 GIABRN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)C12C[C@H]3C[C@H](CC(O)(C3)C1)C2 ZINC000019334806 570976057 /nfs/dbraw/zinc/97/60/57/570976057.db2.gz OMHQTUSFLJAIBQ-XFKLWTPLSA-N 0 0 386.492 4.143 40 0 GIABRN O=C(CCOc1ccc(Cl)cc1)N1CCC(c2cc3ncccc3[nH]2)CC1 ZINC000019345313 570977546 /nfs/dbraw/zinc/97/75/46/570977546.db2.gz PVZMRJYUPDUSHK-UHFFFAOYSA-N 0 0 383.879 4.391 40 0 GIABRN c1ccc(COc2ccccc2CN(Cc2ccccn2)C[C@H]2CCCO2)nc1 ZINC000019348714 570978591 /nfs/dbraw/zinc/97/85/91/570978591.db2.gz BXEPGMRIABJDJJ-HSZRJFAPSA-N 0 0 389.499 4.237 40 0 GIABRN O=C(C1CC1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000019373161 570980920 /nfs/dbraw/zinc/98/09/20/570980920.db2.gz ZZVIFZJXXSRIDF-HXUWFJFHSA-N 0 0 385.471 4.356 40 0 GIABRN CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000019451998 570985599 /nfs/dbraw/zinc/98/55/99/570985599.db2.gz IKYONLRPLXBMDN-LBPRGKRZSA-N 0 0 381.398 4.481 40 0 GIABRN Cc1ccc(O)c(NC(=O)c2cc3nc(-c4ccc(F)cc4)cc(C)n3n2)c1 ZINC000001001189 570987534 /nfs/dbraw/zinc/98/75/34/570987534.db2.gz BFNDYWWVJOEIMU-UHFFFAOYSA-N 0 0 376.391 4.110 40 0 GIABRN COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccncc3)c3cnccc3n2)cc1 ZINC000019458728 570988180 /nfs/dbraw/zinc/98/81/80/570988180.db2.gz YTOZQPONCUXOBX-OAHLLOKOSA-N 0 0 384.439 4.191 40 0 GIABRN COc1ccc(N(Cc2cccnc2)C(=O)Cc2ccc3c(c2)C[C@H](C)O3)cc1 ZINC000019498065 570990513 /nfs/dbraw/zinc/99/05/13/570990513.db2.gz GDDZKUFAZVFTIV-KRWDZBQOSA-N 0 0 388.467 4.190 40 0 GIABRN CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2c(CC)cccc2CC)C1 ZINC000244539324 570990606 /nfs/dbraw/zinc/99/06/06/570990606.db2.gz ZXRNYLNAYOFRJZ-SFHVURJKSA-N 0 0 380.488 4.202 40 0 GIABRN CCC(=O)N1CCC[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 ZINC000019498616 570991118 /nfs/dbraw/zinc/99/11/18/570991118.db2.gz FDDOHOTZUGQCPA-JOCHJYFZSA-N 0 0 384.545 4.065 40 0 GIABRN CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)CC)C1 ZINC000019498605 570991290 /nfs/dbraw/zinc/99/12/90/570991290.db2.gz QSAIWIIRRZHSEM-XMMPIXPASA-N 0 0 396.506 4.190 40 0 GIABRN CCC(CC)C(=O)N1CCC[C@@](Cc2ccccc2-c2cccs2)(C(N)=O)C1 ZINC000019500136 570991949 /nfs/dbraw/zinc/99/19/49/570991949.db2.gz BEXQFVVWJTWTKB-QHCPKHFHSA-N 0 0 398.572 4.488 40 0 GIABRN CCC(CC)C(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2F)(C(N)=O)C1 ZINC000019500061 570991977 /nfs/dbraw/zinc/99/19/77/570991977.db2.gz CPMOSAKEPHLDHI-DEOSSOPVSA-N 0 0 396.506 4.175 40 0 GIABRN CCCC(=O)N1CCC[C@@](Cc2ccccc2-c2ccc(C)cc2)(C(N)=O)C1 ZINC000019501234 570992889 /nfs/dbraw/zinc/99/28/89/570992889.db2.gz RZFOHTYNVVHVHW-DEOSSOPVSA-N 0 0 378.516 4.099 40 0 GIABRN CCc1nn(C)c(C(=O)N[C@H](Cc2ccsc2)c2nc(C)c(C)s2)c1C ZINC000019521050 570994377 /nfs/dbraw/zinc/99/43/77/570994377.db2.gz PZECVRYEFSCJRO-MRXNPFEDSA-N 0 0 388.562 4.140 40 0 GIABRN CCn1cc(C[C@@H](C)NC(=O)c2ccccc2Cn2ccnc2)c2ccccc21 ZINC000019524800 570996846 /nfs/dbraw/zinc/99/68/46/570996846.db2.gz NDTOXOILYCKLEQ-GOSISDBHSA-N 0 0 386.499 4.267 40 0 GIABRN Cc1nc(C2(C)CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c2sccn12 ZINC000585182414 570999542 /nfs/dbraw/zinc/99/95/42/570999542.db2.gz NSUSOFYUCZIZEI-UHFFFAOYSA-N 0 0 392.528 4.308 40 0 GIABRN CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2N(C(=O)OC(C)(C)C)C3)cc1 ZINC000091297399 571002221 /nfs/dbraw/zinc/00/22/21/571002221.db2.gz WGOGDSHYCAZMMX-LZQZEXGQSA-N 0 0 388.508 4.448 40 0 GIABRN Cc1noc(-c2cn[nH]c2[C@H]2CCCN2C(=O)Cc2cccc(Cl)c2)c1C ZINC000019558041 571003942 /nfs/dbraw/zinc/00/39/42/571003942.db2.gz ZOWHIDLPINYHKX-QGZVFWFLSA-N 0 0 384.867 4.241 40 0 GIABRN CC(C)(C)OC(=O)N1CC[C@@H](COc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000091364393 571004505 /nfs/dbraw/zinc/00/45/05/571004505.db2.gz AXPZLRVDNSNKSR-SNVBAGLBSA-N 0 0 380.794 4.390 40 0 GIABRN Cc1nc(-c2cccnc2)sc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000019561071 571005520 /nfs/dbraw/zinc/00/55/20/571005520.db2.gz IENJTVZHOOAAQZ-UHFFFAOYSA-N 0 0 397.475 4.336 40 0 GIABRN COc1ccc(-c2cnc3c(c2)CN(C(=O)c2cccs2)CC3)cc1OC ZINC000019561543 571005883 /nfs/dbraw/zinc/00/58/83/571005883.db2.gz MGPBGTRXGIQJRD-UHFFFAOYSA-N 0 0 380.469 4.026 40 0 GIABRN COc1cc(C)c(NC(=O)CCc2nc(-c3cccnc3)no2)cc1C(C)C ZINC000019567168 571008819 /nfs/dbraw/zinc/00/88/19/571008819.db2.gz OFUVCGDARLUKBF-UHFFFAOYSA-N 0 0 380.448 4.143 40 0 GIABRN Cc1cc(C)c2nc3c(cc2c1)CN(CCc1ccc2c(c1)OCO2)C(=O)O3 ZINC000019568336 571009110 /nfs/dbraw/zinc/00/91/10/571009110.db2.gz BEKFXNCTSAYWMO-UHFFFAOYSA-N 0 0 376.412 4.137 40 0 GIABRN Cc1noc(C)c1Cc1c(C)onc1C(=O)NCCCc1ccc(Cl)cc1 ZINC000019580973 571012911 /nfs/dbraw/zinc/01/29/11/571012911.db2.gz OUSHCMLFFGHNOT-UHFFFAOYSA-N 0 0 387.867 4.195 40 0 GIABRN Cc1nn(C)cc1-c1cc(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)on1 ZINC000019584118 571014631 /nfs/dbraw/zinc/01/46/31/571014631.db2.gz MMFHOMVDQZCSLP-UHFFFAOYSA-N 0 0 397.435 4.207 40 0 GIABRN Cc1cccc(-c2noc([C@H](C)NC(=O)c3cc(-c4ccc(F)cc4)no3)n2)c1 ZINC000019655948 571023372 /nfs/dbraw/zinc/02/33/72/571023372.db2.gz JYKZNSKKYCYICE-ZDUSSCGKSA-N 0 0 392.390 4.330 40 0 GIABRN CCn1nc(C)c(-c2cc(C(=O)NCC3(c4ccccc4Cl)CC3)[nH]n2)c1C ZINC000019660949 571025893 /nfs/dbraw/zinc/02/58/93/571025893.db2.gz RJIKMTQHWJLMCA-UHFFFAOYSA-N 0 0 397.910 4.025 40 0 GIABRN Cc1[nH]c2c(c1CC(=O)N(Cc1ccccn1)C[C@@H]1CCCO1)c(C)ccc2C ZINC000019660788 571025903 /nfs/dbraw/zinc/02/59/03/571025903.db2.gz VNJLRXCXZLHZQM-FQEVSTJZSA-N 0 0 391.515 4.238 40 0 GIABRN Clc1ccc(-n2cc(CN(Cc3ccccn3)C[C@@H]3CCCO3)cn2)cc1 ZINC000019662910 571026663 /nfs/dbraw/zinc/02/66/63/571026663.db2.gz IQPGAMMPEVVWBA-NRFANRHFSA-N 0 0 382.895 4.102 40 0 GIABRN Cc1ccc(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)cc1N1CCCCC1 ZINC000019663951 571026872 /nfs/dbraw/zinc/02/68/72/571026872.db2.gz OWIUYVZMIBZDOU-QFIPXVFZSA-N 0 0 393.531 4.202 40 0 GIABRN CCn1ncc(-c2cc(C(=O)Nc3nc4cc(Cl)ccc4s3)on2)c1C ZINC000019665090 571027354 /nfs/dbraw/zinc/02/73/54/571027354.db2.gz KMBMIGKFFZVUTC-UHFFFAOYSA-N 0 0 387.852 4.382 40 0 GIABRN Nc1ccc(-c2ccc([C@H]3CCCN3C(=O)Cc3c[nH]c4ccccc34)nc2)cn1 ZINC000019691765 571029628 /nfs/dbraw/zinc/02/96/28/571029628.db2.gz DOHSHJARQULHDZ-JOCHJYFZSA-N 0 0 397.482 4.113 40 0 GIABRN CN(C)c1nc2ccccc2cc1CNc1ccc([C@@H]2CCc3nncn3C2)cc1 ZINC000019699131 571031073 /nfs/dbraw/zinc/03/10/73/571031073.db2.gz HCANTQDIDRAHJE-LJQANCHMSA-N 0 0 398.514 4.234 40 0 GIABRN Cc1nc([C@@H]2CCCN(C(=O)C(C)C)C2)nc2c1CCCN2Cc1ccccc1 ZINC000019706564 571032396 /nfs/dbraw/zinc/03/23/96/571032396.db2.gz MCVRWZNDJKGRAL-HXUWFJFHSA-N 0 0 392.547 4.100 40 0 GIABRN Cc1cc(C(F)F)n2ncc(C(=O)N[C@@H](C)CCc3ccc(Cl)cc3)c2n1 ZINC000019714880 571036503 /nfs/dbraw/zinc/03/65/03/571036503.db2.gz JOOMUEVEDZZQSK-NSHDSACASA-N 0 0 392.837 4.380 40 0 GIABRN CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)c2C1 ZINC000019715631 571037355 /nfs/dbraw/zinc/03/73/55/571037355.db2.gz WPIIBHSHRYMOHR-HNNXBMFYSA-N 0 0 396.466 4.462 40 0 GIABRN Cc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4n3C)C2)nc2ccccc12 ZINC000019716848 571039027 /nfs/dbraw/zinc/03/90/27/571039027.db2.gz RENNBZDYWKPOBX-QGZVFWFLSA-N 0 0 384.483 4.450 40 0 GIABRN Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000019717694 571040607 /nfs/dbraw/zinc/04/06/07/571040607.db2.gz FNUGEJVMHJOOEI-HNNXBMFYSA-N 0 0 378.472 4.284 40 0 GIABRN FC(F)(F)c1nc(Cl)cc(Nc2ccccc2I)n1 ZINC000236115281 571046011 /nfs/dbraw/zinc/04/60/11/571046011.db2.gz CTZLVPOSPKRUQK-UHFFFAOYSA-N 0 0 399.541 4.497 40 0 GIABRN Cc1ccc(N2C[C@@H](C(=O)OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1 ZINC000016292899 571049365 /nfs/dbraw/zinc/04/93/65/571049365.db2.gz RDCUPISVWAKYJK-AWEZNQCLSA-N 0 0 378.255 4.398 40 0 GIABRN COc1ccccc1/C=C/C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000003671839 817494032 /nfs/dbraw/zinc/49/40/32/817494032.db2.gz XHPNNCKIGFUXCD-MDZDMXLPSA-N 0 0 390.405 4.076 40 0 GIABRN O=C(CSc1ccc([N+](=O)[O-])cn1)N1c2ccccc2S[C@@H]2C=CC=C[C@H]21 ZINC000006045723 817643572 /nfs/dbraw/zinc/64/35/72/817643572.db2.gz KWBTVALNOJZJRZ-GDBMZVCRSA-N 0 0 397.481 4.084 40 0 GIABRN O=C(COC(=O)c1cccc(Cl)c1)Nc1ccccc1C(=O)c1ccccc1 ZINC000006052733 817644862 /nfs/dbraw/zinc/64/48/62/817644862.db2.gz ZMGSGAKOHGERGF-UHFFFAOYSA-N 0 0 393.826 4.367 40 0 GIABRN CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1ccccc1F ZINC000006359434 817682863 /nfs/dbraw/zinc/68/28/63/817682863.db2.gz YGOGHLVHVXPQFI-UHFFFAOYSA-N 0 0 388.443 4.282 40 0 GIABRN Cc1ccc(NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1C ZINC000006438993 817692739 /nfs/dbraw/zinc/69/27/39/817692739.db2.gz YVQNAHIMTXVLGX-FQEVSTJZSA-N 0 0 398.503 4.352 40 0 GIABRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(F)c3)C2=O)c1C ZINC000006479086 817697126 /nfs/dbraw/zinc/69/71/26/817697126.db2.gz ZMUUUWRNFRCLPJ-LICLKQGHSA-N 0 0 384.432 4.118 40 0 GIABRN O=C(/C=C/c1ccco1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl ZINC000006535840 817702458 /nfs/dbraw/zinc/70/24/58/817702458.db2.gz NLKZBGPGXGBMNH-CSKARUKUSA-N 0 0 392.798 4.386 40 0 GIABRN CCN1c2ccccc2/C(=C\c2cn(CC(=O)N3CCCC3)c3ccccc23)C1=O ZINC000006630236 817712691 /nfs/dbraw/zinc/71/26/91/817712691.db2.gz HHAAXSMBUWAOAE-RCCKNPSSSA-N 0 0 399.494 4.171 40 0 GIABRN CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O ZINC000006650707 817715704 /nfs/dbraw/zinc/71/57/04/817715704.db2.gz NVLCDLZPVFUHAX-LBPRGKRZSA-N 0 0 393.270 4.384 40 0 GIABRN CCc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)C(C(=O)OC)=C2C)cc1 ZINC000006941123 817727868 /nfs/dbraw/zinc/72/78/68/817727868.db2.gz NNQHTQBWCCOLAW-QNGOZBTKSA-N 0 0 390.483 4.192 40 0 GIABRN CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3OC)n2C)cc1 ZINC000006963735 817729554 /nfs/dbraw/zinc/72/95/54/817729554.db2.gz PIDBFGRPSUNFEP-DQRAZIAOSA-N 0 0 382.485 4.210 40 0 GIABRN O=C1NC(=Cc2cccn2-c2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000006971177 817732005 /nfs/dbraw/zinc/73/20/05/817732005.db2.gz BFEWIYKNSZSVCN-LDADJPATSA-N 0 0 381.794 4.367 40 0 GIABRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c3ccccc23)C1=O ZINC000007071044 817752240 /nfs/dbraw/zinc/75/22/40/817752240.db2.gz POTVGHXHLBZFML-VBEHJTROSA-N 0 0 399.468 4.226 40 0 GIABRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(O[C@@H](C)CC)cc2)C1=O ZINC000007078273 817754737 /nfs/dbraw/zinc/75/47/37/817754737.db2.gz UAVQZERGUJBFEX-ILWXYBAZSA-N 0 0 391.489 4.242 40 0 GIABRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2O[C@@H](C)CC)C1=O ZINC000007078452 817754839 /nfs/dbraw/zinc/75/48/39/817754839.db2.gz OIHOKDXHPGJETQ-MSUZTGCTSA-N 0 0 391.489 4.242 40 0 GIABRN COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccccc2)o1 ZINC000007605304 817878278 /nfs/dbraw/zinc/87/82/78/817878278.db2.gz UOYLUCNAOSBKPE-UHFFFAOYSA-N 0 0 375.837 4.129 40 0 GIABRN CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCc1ccc(F)cc1 ZINC000007605268 817878463 /nfs/dbraw/zinc/87/84/63/817878463.db2.gz VOQWWZRXOPMCID-UHFFFAOYSA-N 0 0 387.480 4.337 40 0 GIABRN Cc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)c(C)c1 ZINC000007881440 817948837 /nfs/dbraw/zinc/94/88/37/817948837.db2.gz VCKRAEVJKYLWEP-RDJZCZTQSA-N 0 0 399.874 4.124 40 0 GIABRN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 ZINC000007881989 817949442 /nfs/dbraw/zinc/94/94/42/817949442.db2.gz BQBTYLWKYQBVIO-GFCCVEGCSA-N 0 0 393.270 4.384 40 0 GIABRN Cc1cccc(C)c1N1C[C@H](C(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)CC1=O ZINC000007881629 817949612 /nfs/dbraw/zinc/94/96/12/817949612.db2.gz QVHHPVKKUPYRMZ-DOTOQJQBSA-N 0 0 399.874 4.124 40 0 GIABRN CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)cc1 ZINC000007929022 817962378 /nfs/dbraw/zinc/96/23/78/817962378.db2.gz QDKBGZSXTFVHHE-INIZCTEOSA-N 0 0 381.472 4.341 40 0 GIABRN C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccccc1 ZINC000007928378 817962411 /nfs/dbraw/zinc/96/24/11/817962411.db2.gz MPIHPPPFUSMKDF-TZMCWYRMSA-N 0 0 377.271 4.224 40 0 GIABRN CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(C)c(C)c1 ZINC000007939854 817965381 /nfs/dbraw/zinc/96/53/81/817965381.db2.gz AMTJPMTYPDVBGK-UHFFFAOYSA-N 0 0 396.487 4.157 40 0 GIABRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccco1 ZINC000008023061 817984834 /nfs/dbraw/zinc/98/48/34/817984834.db2.gz BHXRCMSBJJBYLB-RJRNSMGGSA-N 0 0 395.455 4.073 40 0 GIABRN CCn1cc(CN2CCO[C@H](c3ccc(Cc4ccc(C)cc4)cn3)C2)c(C)n1 ZINC000019692376 818598736 /nfs/dbraw/zinc/59/87/36/818598736.db2.gz AGOGRYZSLAYHJJ-DEOSSOPVSA-N 0 0 390.531 4.079 40 0 GIABRN Cc1nnsc1C(=O)N1CCC(c2cc(-c3ccccc3)cc(C)n2)CC1 ZINC000019691439 818598846 /nfs/dbraw/zinc/59/88/46/818598846.db2.gz TZQQOTQSNBUCDE-UHFFFAOYSA-N 0 0 378.501 4.237 40 0 GIABRN Cc1cc(N2CCO[C@H](c3ccc(Cc4ccccc4Cl)cn3)C2)nc(C)n1 ZINC000019692923 818599446 /nfs/dbraw/zinc/59/94/46/818599446.db2.gz KDYRSQRCCBSGLQ-NRFANRHFSA-N 0 0 394.906 4.311 40 0 GIABRN Cc1cc2sc(NC(=O)C(C)(C)Br)nc2c(Br)c1 ZINC000020133145 818614648 /nfs/dbraw/zinc/61/46/48/818614648.db2.gz KTFNGNRBPDWZQQ-UHFFFAOYSA-N 0 0 392.116 4.479 40 0 GIABRN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cccs1 ZINC000023583731 818960312 /nfs/dbraw/zinc/96/03/12/818960312.db2.gz DEGGCYUTKZPGBV-UHFFFAOYSA-N 0 0 397.412 4.330 40 0 GIABRN O=C(CSc1nnc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccncc1 ZINC000027752527 820282536 /nfs/dbraw/zinc/28/25/36/820282536.db2.gz VKNGBVVENLATJE-UHFFFAOYSA-N 0 0 381.244 4.169 40 0 GIABRN Cc1ccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 ZINC000218975180 222590240 /nfs/dbraw/zinc/59/02/40/222590240.db2.gz RPYMQBSZHASGOB-AWEZNQCLSA-N 0 0 385.851 4.124 40 0 GIABRN Cc1cc(OCC(=O)NCCSc2ccccc2)cc(C)c1Br ZINC000218833281 222591053 /nfs/dbraw/zinc/59/10/53/222591053.db2.gz MEMYCMJAJDLTNC-UHFFFAOYSA-N 0 0 394.334 4.353 40 0 GIABRN COc1ccc(CCCNC(=O)[C@H](C)Oc2cccc3ccccc32)cc1OC ZINC000219044088 222592215 /nfs/dbraw/zinc/59/22/15/222592215.db2.gz FCHVIEMGKQQRRV-KRWDZBQOSA-N 0 0 393.483 4.373 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cccc(C)c3C)n2)cc1 ZINC000219311793 222594947 /nfs/dbraw/zinc/59/49/47/222594947.db2.gz UGCPLGUIGODFAI-QGZVFWFLSA-N 0 0 379.460 4.088 40 0 GIABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1nc(-c2cccs2)no1 ZINC000219342888 222595291 /nfs/dbraw/zinc/59/52/91/222595291.db2.gz TWGLHUQYYWPKRL-MRXNPFEDSA-N 0 0 393.468 4.425 40 0 GIABRN CC[C@H](Oc1ccccc1F)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219581434 222595733 /nfs/dbraw/zinc/59/57/33/222595733.db2.gz ZZPPPSUHHGJIBB-MSOLQXFVSA-N 0 0 387.451 4.410 40 0 GIABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000219600174 222596466 /nfs/dbraw/zinc/59/64/66/222596466.db2.gz CHUUROXMFOJNPY-LJQANCHMSA-N 0 0 379.460 4.169 40 0 GIABRN CCc1ccc(N([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000220269642 222600458 /nfs/dbraw/zinc/60/04/58/222600458.db2.gz MGEAJEPANVJTAB-AWEZNQCLSA-N 0 0 394.924 4.004 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222426140 222608214 /nfs/dbraw/zinc/60/82/14/222608214.db2.gz VSSRBNYZMZSEIO-LJQANCHMSA-N 0 0 394.559 4.388 40 0 GIABRN COc1ccc(OC)c([C@H](C)NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000008354956 230862752 /nfs/dbraw/zinc/86/27/52/230862752.db2.gz IIAZYFHMFKGXHE-NSHDSACASA-N 0 0 384.259 4.267 40 0 GIABRN O=S(=O)(NCCSCc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000006220621 230843930 /nfs/dbraw/zinc/84/39/30/230843930.db2.gz SJOJUCRWPVZQTQ-UHFFFAOYSA-N 0 0 376.330 4.205 40 0 GIABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000014398174 230888797 /nfs/dbraw/zinc/88/87/97/230888797.db2.gz GQZYBIYHFPBHEQ-UHFFFAOYSA-N 0 0 384.785 4.448 40 0 GIABRN Cc1cccc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222708987 222612662 /nfs/dbraw/zinc/61/26/62/222612662.db2.gz HEWUHMUVDMLMMA-IBGZPJMESA-N 0 0 396.531 4.014 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)cc1C ZINC000222699152 222612676 /nfs/dbraw/zinc/61/26/76/222612676.db2.gz UZTSNEPITFEDOK-HXUWFJFHSA-N 0 0 394.559 4.486 40 0 GIABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1Cc1ccccc1 ZINC000222736447 222612850 /nfs/dbraw/zinc/61/28/50/222612850.db2.gz HYWCCZGDPOFQJR-NHCUHLMSSA-N 0 0 376.529 4.151 40 0 GIABRN Cc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)c(O)c1 ZINC000057312880 230937373 /nfs/dbraw/zinc/93/73/73/230937373.db2.gz UQIRJVKCEIBKHJ-FMIVXFBMSA-N 0 0 378.453 4.487 40 0 GIABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 ZINC000222840707 222615601 /nfs/dbraw/zinc/61/56/01/222615601.db2.gz VTDNVYYKXONWTG-PMACEKPBSA-N 0 0 380.492 4.392 40 0 GIABRN CCc1ccc(O[C@@H](CC)C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1 ZINC000222901990 222618462 /nfs/dbraw/zinc/61/84/62/222618462.db2.gz GHANTKHPHWNKHO-IBGZPJMESA-N 0 0 379.460 4.115 40 0 GIABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1ccccc1 ZINC000222628208 231031845 /nfs/dbraw/zinc/03/18/45/231031845.db2.gz HCRKUPDYFHNRHV-GOSISDBHSA-N 0 0 398.572 4.252 40 0 GIABRN Cc1cccc(C2(NC(=S)Nc3ccc(C(=O)N(C)C)cc3)CCCC2)c1 ZINC000225871325 231036007 /nfs/dbraw/zinc/03/60/07/231036007.db2.gz QKCKNEIZHLEETK-UHFFFAOYSA-N 0 0 381.545 4.453 40 0 GIABRN COc1cc2sc(NC(=O)/C=C/c3cnc(SC)nc3)nc2cc1Cl ZINC000408534227 231052371 /nfs/dbraw/zinc/05/23/71/231052371.db2.gz UHYVGYOCOZRHBZ-ONEGZZNKSA-N 0 0 392.893 4.122 40 0 GIABRN CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)NC(C)(C)C ZINC000408560798 231061667 /nfs/dbraw/zinc/06/16/67/231061667.db2.gz PFNHITWLDMKXKK-UHFFFAOYSA-N 0 0 382.533 4.049 40 0 GIABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1cccnc1 ZINC000222957604 222619153 /nfs/dbraw/zinc/61/91/53/222619153.db2.gz XCLRTNOWMQMTID-SFTDATJTSA-N 0 0 391.544 4.348 40 0 GIABRN Cc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)cc1C ZINC000408665999 231092872 /nfs/dbraw/zinc/09/28/72/231092872.db2.gz ZUVXKZYCGCQUMZ-DOTOQJQBSA-N 0 0 399.874 4.124 40 0 GIABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCCCCC2)cc1 ZINC000408677066 231093962 /nfs/dbraw/zinc/09/39/62/231093962.db2.gz PSLKKKRACXWSPS-UHFFFAOYSA-N 0 0 376.456 4.200 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000222921469 222619755 /nfs/dbraw/zinc/61/97/55/222619755.db2.gz BBCXZAGIHKNSOB-OAQYLSRUSA-N 0 0 398.572 4.090 40 0 GIABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000222974331 222620352 /nfs/dbraw/zinc/62/03/52/222620352.db2.gz ATXJUNAOOYKIRZ-IBGZPJMESA-N 0 0 393.487 4.478 40 0 GIABRN O=S(=O)(NCCSCc1c(F)cccc1Cl)c1ccc(Cl)cc1 ZINC000409029065 231149779 /nfs/dbraw/zinc/14/97/79/231149779.db2.gz VFGWCJVLJOPRDN-UHFFFAOYSA-N 0 0 394.320 4.344 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1 ZINC000408922416 231131670 /nfs/dbraw/zinc/13/16/70/231131670.db2.gz APYHHFJQZJQVFY-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN COCCn1c(C)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c1C ZINC000409124535 231167027 /nfs/dbraw/zinc/16/70/27/231167027.db2.gz AVODCBOMGPBXFN-LDADJPATSA-N 0 0 376.522 4.368 40 0 GIABRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O ZINC000409153878 231171715 /nfs/dbraw/zinc/17/17/15/231171715.db2.gz ITMBVEFHRDOPDY-MHWRWJLKSA-N 0 0 386.860 4.323 40 0 GIABRN Cc1ccc(NC(=O)Cn2nc(COc3ccccc3)oc2=S)cc1Cl ZINC000409158759 231172557 /nfs/dbraw/zinc/17/25/57/231172557.db2.gz YVWOMFIFUWKXMF-UHFFFAOYSA-N 0 0 389.864 4.385 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222977439 222620592 /nfs/dbraw/zinc/62/05/92/222620592.db2.gz JNWRZZBDVCPBPG-QGZVFWFLSA-N 0 0 386.923 4.216 40 0 GIABRN Cc1cccc(C)c1NC(=O)COc1ccc(C(=S)N2CCCCC2)cc1 ZINC000409237136 231185117 /nfs/dbraw/zinc/18/51/17/231185117.db2.gz JJVCCPSKYSAHHP-UHFFFAOYSA-N 0 0 382.529 4.482 40 0 GIABRN Cc1cccc(NC(=O)COc2ccc(C(=S)N3CCC(C)CC3)cc2)c1 ZINC000409238956 231185216 /nfs/dbraw/zinc/18/52/16/231185216.db2.gz XMYYPKBUZJYTNM-UHFFFAOYSA-N 0 0 382.529 4.420 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000222977653 222621126 /nfs/dbraw/zinc/62/11/26/222621126.db2.gz LOOGRFMRBWBEEX-FQEVSTJZSA-N 0 0 380.532 4.261 40 0 GIABRN COc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000409385923 231199775 /nfs/dbraw/zinc/19/97/75/231199775.db2.gz ONOTWDRACDNNFW-UHFFFAOYSA-N 0 0 379.485 4.500 40 0 GIABRN Cc1ccc(C(=O)NCCC2=CCCCC2)cc1S(=O)(=O)Nc1ccccc1 ZINC000409411964 231202424 /nfs/dbraw/zinc/20/24/24/231202424.db2.gz ONJZNTMNFVJVGS-UHFFFAOYSA-N 0 0 398.528 4.416 40 0 GIABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 ZINC000223018488 222623569 /nfs/dbraw/zinc/62/35/69/222623569.db2.gz XVAJGZIQFJTQQG-WOJBJXKFSA-N 0 0 384.549 4.007 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CSCc1cccc(C)c1 ZINC000223009831 222624055 /nfs/dbraw/zinc/62/40/55/222624055.db2.gz KJRSDSRHSQQGMW-NRFANRHFSA-N 0 0 398.572 4.090 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1 ZINC000223090801 222624810 /nfs/dbraw/zinc/62/48/10/222624810.db2.gz FWRGFHQXWHEYGU-MSOLQXFVSA-N 0 0 384.495 4.090 40 0 GIABRN CCc1ccccc1NC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000408703655 529591343 /nfs/dbraw/zinc/59/13/43/529591343.db2.gz VVYJDFQFNCOUOB-UHFFFAOYSA-N 0 0 388.533 4.051 40 0 GIABRN CCc1ccccc1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC=C[C@@H](C)[C@H]2C1=O ZINC000408668704 529600163 /nfs/dbraw/zinc/60/01/63/529600163.db2.gz DVLLDIZOMGJSFG-FQELHTAISA-N 0 0 388.467 4.203 40 0 GIABRN CCc1ccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000113956094 529674745 /nfs/dbraw/zinc/67/47/45/529674745.db2.gz ADHANABMWUVQGU-UHFFFAOYSA-N 0 0 394.924 4.087 40 0 GIABRN C[C@H](NC(=O)c1ccccc1I)c1ccc2c(c1)CCC2 ZINC000223158352 222627167 /nfs/dbraw/zinc/62/71/67/222627167.db2.gz PAMJFCVHJOQTDY-LBPRGKRZSA-N 0 0 391.252 4.271 40 0 GIABRN COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2c(C)cc(OC)cc2C)cc1 ZINC000223670180 222639188 /nfs/dbraw/zinc/63/91/88/222639188.db2.gz PDQNPYIQNXGECH-HXUWFJFHSA-N 0 0 391.533 4.386 40 0 GIABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)cc1 ZINC000223755499 222643136 /nfs/dbraw/zinc/64/31/36/222643136.db2.gz YEXDAJDECYSEQZ-RTWAWAEBSA-N 0 0 392.528 4.223 40 0 GIABRN Cc1ccccc1CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC1CCCC1 ZINC000223791193 222644155 /nfs/dbraw/zinc/64/41/55/222644155.db2.gz ZBZLZIXLSYIBRS-HXUWFJFHSA-N 0 0 392.543 4.322 40 0 GIABRN O=C(OCc1ccc(Br)cc1)c1snnc1-c1ccc(F)cc1 ZINC000223842987 222645434 /nfs/dbraw/zinc/64/54/34/222645434.db2.gz LWYYMKRBAPALOZ-UHFFFAOYSA-N 0 0 393.237 4.464 40 0 GIABRN COC(=O)c1cc2cc(NC(=O)c3cnn(-c4ccccc4)c3)ccc2s1 ZINC000224054312 222650457 /nfs/dbraw/zinc/65/04/57/222650457.db2.gz MSEZNEYYZLITGU-UHFFFAOYSA-N 0 0 377.425 4.126 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000224252021 222653974 /nfs/dbraw/zinc/65/39/74/222653974.db2.gz DYRSUTSCNJGSTG-FQEVSTJZSA-N 0 0 386.923 4.134 40 0 GIABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C ZINC000224429460 222656137 /nfs/dbraw/zinc/65/61/37/222656137.db2.gz RRVMOGHZRXKNAJ-UXHICEINSA-N 0 0 380.492 4.353 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000224547536 222657105 /nfs/dbraw/zinc/65/71/05/222657105.db2.gz GIZIOXSVMQAPHX-JOCHJYFZSA-N 0 0 380.532 4.117 40 0 GIABRN CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C ZINC000224599618 222658296 /nfs/dbraw/zinc/65/82/96/222658296.db2.gz WGCPWVZFXLPDAM-SFTDATJTSA-N 0 0 392.528 4.403 40 0 GIABRN COc1ccc(S(=O)(=O)N(C)c2ccc(F)cc2F)c(Cl)c1Cl ZINC000224625489 222659546 /nfs/dbraw/zinc/65/95/46/222659546.db2.gz OCPVHJNRJONPGX-UHFFFAOYSA-N 0 0 382.215 4.105 40 0 GIABRN COc1cc(NC(=O)COc2cccc3c2CCCC3)c(OC)cc1Cl ZINC000224792242 222662354 /nfs/dbraw/zinc/66/23/54/222662354.db2.gz PQKOPVGEFHMEAD-UHFFFAOYSA-N 0 0 375.852 4.254 40 0 GIABRN CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 ZINC000224844625 222663826 /nfs/dbraw/zinc/66/38/26/222663826.db2.gz NVIPBBLBFYOYRD-GOSISDBHSA-N 0 0 381.516 4.480 40 0 GIABRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000224819662 222663890 /nfs/dbraw/zinc/66/38/90/222663890.db2.gz NPGNMBLOPQAFJF-GOSISDBHSA-N 0 0 396.506 4.234 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C ZINC000225123580 222669481 /nfs/dbraw/zinc/66/94/81/222669481.db2.gz HSMJHVSRCREWRC-NHCUHLMSSA-N 0 0 394.559 4.486 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 ZINC000225051020 222667508 /nfs/dbraw/zinc/66/75/08/222667508.db2.gz VOCVJPBTKRGROA-ROUUACIJSA-N 0 0 384.495 4.009 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 ZINC000225072347 222669263 /nfs/dbraw/zinc/66/92/63/222669263.db2.gz JGPDWBSCALTHKQ-NRFANRHFSA-N 0 0 398.572 4.421 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C ZINC000225083418 222669277 /nfs/dbraw/zinc/66/92/77/222669277.db2.gz GUHUGXXPRZAVRT-SFTDATJTSA-N 0 0 394.559 4.486 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 ZINC000225288812 222672856 /nfs/dbraw/zinc/67/28/56/222672856.db2.gz DQWLIEYCZBYIHL-UHFFFAOYSA-N 0 0 391.471 4.286 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)NCc2ccc(OC(C)C)cc2)c1C ZINC000225447188 222678150 /nfs/dbraw/zinc/67/81/50/222678150.db2.gz HGTHVXCXWNZNIP-UHFFFAOYSA-N 0 0 386.517 4.446 40 0 GIABRN CCOc1ccccc1CNC(=S)Nc1cc(C(=O)OC)ccc1Cl ZINC000225442774 222678242 /nfs/dbraw/zinc/67/82/42/222678242.db2.gz WWUFINHTHBZVPF-UHFFFAOYSA-N 0 0 378.881 4.012 40 0 GIABRN Cc1ccc(SCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225497027 222681060 /nfs/dbraw/zinc/68/10/60/222681060.db2.gz HJZHPQSMDPIMLI-IBGZPJMESA-N 0 0 398.572 4.337 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225534412 222682859 /nfs/dbraw/zinc/68/28/59/222682859.db2.gz SDTFKMFWQRAJRU-QGZVFWFLSA-N 0 0 386.923 4.133 40 0 GIABRN COc1ccccc1CCCNC(=S)Nc1ccc(OC)c2ncccc12 ZINC000225552094 222683557 /nfs/dbraw/zinc/68/35/57/222683557.db2.gz YXZUDGURBXXAIA-UHFFFAOYSA-N 0 0 381.501 4.171 40 0 GIABRN Cn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cn1 ZINC000225596124 222684557 /nfs/dbraw/zinc/68/45/57/222684557.db2.gz RIGYQZYGTOVKFZ-IAELTXNGSA-N 0 0 384.564 4.178 40 0 GIABRN Cc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225586376 222685073 /nfs/dbraw/zinc/68/50/73/222685073.db2.gz JHLLPCDRAIUCTC-SFHVURJKSA-N 0 0 384.495 4.009 40 0 GIABRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)COc2ccccc2C)c1 ZINC000225636374 222687592 /nfs/dbraw/zinc/68/75/92/222687592.db2.gz VNWIYCMGMLFLRN-CYBMUJFWSA-N 0 0 392.908 4.189 40 0 GIABRN COC(=O)c1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 ZINC000225675044 222688432 /nfs/dbraw/zinc/68/84/32/222688432.db2.gz YGMNZVSZMIEDGB-KRWDZBQOSA-N 0 0 384.501 4.370 40 0 GIABRN CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000225702541 222691345 /nfs/dbraw/zinc/69/13/45/222691345.db2.gz MLPDUGUYJOSABO-QFIPXVFZSA-N 0 0 390.524 4.002 40 0 GIABRN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCc2ccccc2)cc1 ZINC000225764148 222695142 /nfs/dbraw/zinc/69/51/42/222695142.db2.gz RDSDZENNFZFPGR-XLNRJJMWSA-N 0 0 388.467 4.108 40 0 GIABRN CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1C(=O)OC ZINC000225753318 222695190 /nfs/dbraw/zinc/69/51/90/222695190.db2.gz ISRXNUKYFZEWST-UHFFFAOYSA-N 0 0 397.471 4.331 40 0 GIABRN CCCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C(=O)OC ZINC000225807729 222697363 /nfs/dbraw/zinc/69/73/63/222697363.db2.gz KQBYZCMOFAZYDH-VFNWGFHPSA-N 0 0 377.481 4.186 40 0 GIABRN CCCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C(=O)OC ZINC000225807747 222698006 /nfs/dbraw/zinc/69/80/06/222698006.db2.gz KQBYZCMOFAZYDH-YCRPNKLZSA-N 0 0 377.481 4.186 40 0 GIABRN O=C(CCc1nc(-c2cccc(F)c2)no1)NCc1ccc(Cl)cc1Cl ZINC000225798539 222698042 /nfs/dbraw/zinc/69/80/42/222698042.db2.gz UPMKGKQHQSVDGZ-UHFFFAOYSA-N 0 0 394.233 4.432 40 0 GIABRN CC[C@@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccc(OC)c(OC)c1 ZINC000225875091 222701274 /nfs/dbraw/zinc/70/12/74/222701274.db2.gz IDFCMXVDQOHZCH-HXUWFJFHSA-N 0 0 383.488 4.229 40 0 GIABRN CC(C)CNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCC[C@@H](C)C2)n1 ZINC000225892060 222701981 /nfs/dbraw/zinc/70/19/81/222701981.db2.gz OXHWSSWLVXBEHS-MRXNPFEDSA-N 0 0 399.564 4.448 40 0 GIABRN Cc1cnc(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)cn1 ZINC000257202122 222752997 /nfs/dbraw/zinc/75/29/97/222752997.db2.gz AKONKGRZEWKLMN-MRXNPFEDSA-N 0 0 396.878 4.037 40 0 GIABRN CCCc1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)n(C)n1 ZINC000257206289 222753348 /nfs/dbraw/zinc/75/33/48/222753348.db2.gz BCSGEJKZIRPVHZ-LJQANCHMSA-N 0 0 396.466 4.068 40 0 GIABRN O=C(c1cccnc1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257212657 222755238 /nfs/dbraw/zinc/75/52/38/222755238.db2.gz CEJKJWXPKMVXPH-QGZVFWFLSA-N 0 0 381.863 4.334 40 0 GIABRN COCCC(=O)N[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)O[C@@H]2CCCC[C@@H]12 ZINC000257293428 222771117 /nfs/dbraw/zinc/77/11/17/222771117.db2.gz QPKDXTVXURCJAE-BSDSXHPESA-N 0 0 385.426 4.247 40 0 GIABRN Cc1ncsc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257302058 222773281 /nfs/dbraw/zinc/77/32/81/222773281.db2.gz SBFIQMOZRHJDET-OAHLLOKOSA-N 0 0 385.464 4.189 40 0 GIABRN C[C@@H]1CC[C@@H]2[C@@H](O1)c1ccc(O)cc1OC21CCN(C(=O)OC(C)(C)C)CC1 ZINC000257318835 222774401 /nfs/dbraw/zinc/77/44/01/222774401.db2.gz VPOXCIBUYTVPBQ-BJZITVGISA-N 0 0 389.492 4.411 40 0 GIABRN Cc1cccnc1C(=O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257342317 222779778 /nfs/dbraw/zinc/77/97/78/222779778.db2.gz ZOCNSJUCVVMHLF-KRWDZBQOSA-N 0 0 379.435 4.128 40 0 GIABRN CC(C)c1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4)o3)C2)on1 ZINC000257340298 222780018 /nfs/dbraw/zinc/78/00/18/222780018.db2.gz ZFKGJWDROLHGJL-KRWDZBQOSA-N 0 0 379.460 4.397 40 0 GIABRN CCCc1cc(=O)n(CCCc2ccccc2)c(=O)n1CCCc1ccccc1 ZINC000001749072 212255787 /nfs/dbraw/zinc/25/57/87/212255787.db2.gz QRNAOKHBJRFTJQ-UHFFFAOYSA-N 0 0 390.527 4.228 40 0 GIABRN CCCCn1cnc2c1nc(N)nc2SCc1ccc(Br)cc1 ZINC000001681637 212254547 /nfs/dbraw/zinc/25/45/47/212254547.db2.gz QNBRMPPIKDCBRD-UHFFFAOYSA-N 0 0 392.326 4.263 40 0 GIABRN CN(C)C(=O)Oc1c(Cl)c(Cl)c(OC(=O)N(C)C)c(Cl)c1Cl ZINC000001732682 212254200 /nfs/dbraw/zinc/25/42/00/212254200.db2.gz ZCYZLIFAKYFXQR-UHFFFAOYSA-N 0 0 390.050 4.421 40 0 GIABRN O=C(Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000001362838 212238174 /nfs/dbraw/zinc/23/81/74/212238174.db2.gz OVDITOBSSBFBGX-UHFFFAOYSA-N 0 0 375.447 4.405 40 0 aggregator GIABRN CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1N1CCCCC1 ZINC000001341134 212237810 /nfs/dbraw/zinc/23/78/10/212237810.db2.gz LRVCRSLNRLINHP-UHFFFAOYSA-N 0 0 380.492 4.275 40 0 GIABRN COc1ccc(NN2C(=O)/C(=C/c3ccccc3OC)N=C2c2ccccc2)cc1 ZINC000001092244 212216137 /nfs/dbraw/zinc/21/61/37/212216137.db2.gz QGBMKUGFWWRXQW-PGMHBOJBSA-N 0 0 399.450 4.361 40 0 GIABRN CC1=Nc2ncnn2[C@H](c2ccc(Cl)cc2)C1C(=O)OCCc1ccccc1 ZINC000000938908 212197159 /nfs/dbraw/zinc/19/71/59/212197159.db2.gz JXXRQFFAUNVBGK-LJQANCHMSA-N 0 0 394.862 4.006 40 0 GIABRN O=C(CSc1nnc(COc2ccccc2)o1)Nc1ccc(Cl)cc1 ZINC000000855518 212189533 /nfs/dbraw/zinc/18/95/33/212189533.db2.gz JXGZLZFWJPREGP-UHFFFAOYSA-N 0 0 375.837 4.033 40 0 GIABRN CCOC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nc4ccccc4s3)cc2C)C1 ZINC000045886965 212118450 /nfs/dbraw/zinc/11/84/50/212118450.db2.gz GARFYKSKUAHFGA-OAHLLOKOSA-N 0 0 380.469 4.188 40 0 GIABRN CC(C)(C)OC(=O)N1CCN(c2nsc3cc(Br)ccc32)CC1 ZINC000329023919 212118904 /nfs/dbraw/zinc/11/89/04/212118904.db2.gz OWIOWOXKDVTDRZ-UHFFFAOYSA-N 0 0 398.326 4.116 40 0 GIABRN CCOC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4ccccc4o3)c2)C1 ZINC000045887388 212119028 /nfs/dbraw/zinc/11/90/28/212119028.db2.gz NCNOQIZUZHPUBH-LBPRGKRZSA-N 0 0 384.819 4.064 40 0 GIABRN CCOC(=O)[C@H]1CC(=O)N(c2cc(-c3nc4ccccc4s3)ccc2C)C1 ZINC000045886763 212118774 /nfs/dbraw/zinc/11/87/74/212118774.db2.gz XGIQLEUJSBBFOE-HNNXBMFYSA-N 0 0 380.469 4.188 40 0 GIABRN Clc1ccccc1CNc1cc(-c2ccccn2)nc(NC2CCCC2)n1 ZINC000329050010 212094475 /nfs/dbraw/zinc/09/44/75/212094475.db2.gz URHRLUJAEBBTOX-UHFFFAOYSA-N 0 0 379.895 4.002 40 0 GIABRN Cc1cccc(Nc2cc(-c3ccccc3)nc(N[C@H](CO)C(C)C)n2)c1C ZINC000329065631 212094531 /nfs/dbraw/zinc/09/45/31/212094531.db2.gz XSVDUPNQRJUZPS-OAQYLSRUSA-N 0 0 376.504 4.355 40 0 GIABRN CC[C@H](C)Nc1nc(Nc2cccc(Br)c2)cc(-c2ccccn2)n1 ZINC000329038090 212093922 /nfs/dbraw/zinc/09/39/22/212093922.db2.gz RRBBPYHUOJHOKD-ZDUSSCGKSA-N 0 0 398.308 4.099 40 0 GIABRN Cc1ccc(Cl)cc1Nc1cc(-c2cccnc2)nc(N[C@H](CO)C(C)C)n1 ZINC000329024862 212093587 /nfs/dbraw/zinc/09/35/87/212093587.db2.gz PCIZTEDFYJKPTF-LJQANCHMSA-N 0 0 397.910 4.095 40 0 GIABRN CCOc1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCC3)n2)cc1 ZINC000328985822 212092046 /nfs/dbraw/zinc/09/20/46/212092046.db2.gz HVUGFGRKRBUFHW-UHFFFAOYSA-N 0 0 375.476 4.457 40 0 GIABRN Cc1nc2cc(Nc3cc(-c4ccccc4)nc(NC(C)C)n3)ccc2s1 ZINC000329005355 212092050 /nfs/dbraw/zinc/09/20/50/212092050.db2.gz KYDUGBLQZCAPEX-UHFFFAOYSA-N 0 0 375.501 4.469 40 0 GIABRN CSc1ccccc1Nc1cc(-c2ccncc2)nc(NC2CCCC2)n1 ZINC000329065807 212095236 /nfs/dbraw/zinc/09/52/36/212095236.db2.gz XVBZZLIDZYJFAW-UHFFFAOYSA-N 0 0 377.517 4.202 40 0 GIABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2cccnc2)nc(NC2CC2)n1 ZINC000329056070 212095256 /nfs/dbraw/zinc/09/52/56/212095256.db2.gz VQRBKJPEUZHLGY-UHFFFAOYSA-N 0 0 385.393 4.028 40 0 GIABRN Cc1cc(Nc2cc(C(F)(F)F)nc(NC3CC3)n2)ccc1Br ZINC000329062186 212095292 /nfs/dbraw/zinc/09/52/92/212095292.db2.gz WVKBTSUBYBIIJX-UHFFFAOYSA-N 0 0 387.203 4.306 40 0 GIABRN Cc1ccc(Cl)cc1Nc1cc(-c2ccccn2)nc(N[C@H](CO)C(C)C)n1 ZINC000328982176 212091747 /nfs/dbraw/zinc/09/17/47/212091747.db2.gz GYFSPXGXSJCGTI-LJQANCHMSA-N 0 0 397.910 4.095 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc(Nc2cccc(F)c2F)cc(-c2ccccc2)n1 ZINC000328978227 212091132 /nfs/dbraw/zinc/09/11/32/212091132.db2.gz FXBBSWODNWGJJQ-GOSISDBHSA-N 0 0 384.430 4.016 40 0 GIABRN FC(F)(F)Oc1ccc2c(c1)CCN(c1ccnc(NC3CCCC3)n1)C2 ZINC000328962575 212090154 /nfs/dbraw/zinc/09/01/54/212090154.db2.gz BJHYFDKUXHALRE-UHFFFAOYSA-N 0 0 378.398 4.292 40 0 GIABRN CSc1ccc([C@H](c2c[nH]c3ccccc32)C2C(=O)OC(C)(C)OC2=O)cc1 ZINC000409109627 533007102 /nfs/dbraw/zinc/00/71/02/533007102.db2.gz IISLZHHJMNJEBS-GOSISDBHSA-N 0 0 395.480 4.474 40 0 GIABRN COc1ccc(O[C@@H](C)C(=O)NCCSCc2c(F)cccc2Cl)cc1 ZINC000408706041 533025212 /nfs/dbraw/zinc/02/52/12/533025212.db2.gz UBDAOPCUMLSWQE-ZDUSSCGKSA-N 0 0 397.899 4.305 40 0 GIABRN COc1ccc(S(=O)(=O)/N=c2\cc(-c3ccc(C)cc3)ss2)cc1 ZINC000408729538 533036671 /nfs/dbraw/zinc/03/66/71/533036671.db2.gz CFGHQFZGROKZHE-ISLYRVAYSA-N 0 0 377.512 4.083 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)c(Cl)c1Cl ZINC000408619081 533067691 /nfs/dbraw/zinc/06/76/91/533067691.db2.gz LULYYBPTJDPSCM-GFCCVEGCSA-N 0 0 388.316 4.302 40 0 GIABRN COc1cc(OC)cc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 ZINC000008108302 533068295 /nfs/dbraw/zinc/06/82/95/533068295.db2.gz QMEBINRBCZBFRN-UHFFFAOYSA-N 0 0 382.460 4.019 40 0 GIABRN COc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1F ZINC000408694360 533070973 /nfs/dbraw/zinc/07/09/73/533070973.db2.gz JNTFZOHPBHPLII-UHFFFAOYSA-N 0 0 394.649 4.051 40 0 GIABRN CCN(CC)c1ccc(NC(=O)c2cc3cccc(OC)c3oc2=O)c(C)c1 ZINC000000902046 220464211 /nfs/dbraw/zinc/46/42/11/220464211.db2.gz HUFZBYUSSWZFDN-UHFFFAOYSA-N 0 0 380.444 4.209 40 0 GIABRN CCc1ccccc1NC(=O)CSc1nnc(CNc2ccc(C)cc2)n1C ZINC000000905058 220464738 /nfs/dbraw/zinc/46/47/38/220464738.db2.gz XQKCWXIEDMYDCK-UHFFFAOYSA-N 0 0 395.532 4.029 40 0 GIABRN COc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccccc4Cl)C3)n2)cc1 ZINC000001362722 220492345 /nfs/dbraw/zinc/49/23/45/220492345.db2.gz ZLYRWYISMYRYFG-OAHLLOKOSA-N 0 0 397.862 4.418 40 0 GIABRN COc1ccc(CNC(=O)[C@@H](OC(=O)c2cccs2)c2ccc(F)cc2)cc1 ZINC000001381253 220493667 /nfs/dbraw/zinc/49/36/67/220493667.db2.gz GUMSVIIIWAJOHD-IBGZPJMESA-N 0 0 399.443 4.110 40 0 GIABRN O=C1c2cc3ccccc3cc2C(=O)N1c1ccc(I)cc1 ZINC000001434581 220497782 /nfs/dbraw/zinc/49/77/82/220497782.db2.gz YEDDMLXYYBHBCI-UHFFFAOYSA-N 0 0 399.187 4.245 40 0 GIABRN CCCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1cccnc1 ZINC000001361244 220489669 /nfs/dbraw/zinc/48/96/69/220489669.db2.gz AQQPSQCPJKUJBM-UHFFFAOYSA-N 0 0 381.505 4.098 40 0 GIABRN Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)cc1 ZINC000001364543 220491439 /nfs/dbraw/zinc/49/14/39/220491439.db2.gz ZBOHWGYZXMGCFX-UHFFFAOYSA-N 0 0 378.501 4.243 40 0 GIABRN CCCCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccncc1 ZINC000004161387 220686738 /nfs/dbraw/zinc/68/67/38/220686738.db2.gz BSVRJSQGTPFYID-UHFFFAOYSA-N 0 0 395.532 4.433 40 0 GIABRN CCNC(=S)N(Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000004161963 220687462 /nfs/dbraw/zinc/68/74/62/220687462.db2.gz XWGKQLAVNUBPNL-UHFFFAOYSA-N 0 0 393.556 4.350 40 0 GIABRN Oc1ccc(O[C@@]2(F)C(F)(F)C(F)(F)[C@]2(F)Oc2ccc(O)cc2)cc1 ZINC000004716424 220752848 /nfs/dbraw/zinc/75/28/48/220752848.db2.gz ZHYIEGJJYBHJHS-HOTGVXAUSA-N 0 0 380.240 4.171 40 0 GIABRN CC(C)(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=S)Nc1ccc(F)cc1 ZINC000004888352 220784305 /nfs/dbraw/zinc/78/43/05/220784305.db2.gz HEYGGEODYJRMIB-ALOPSCKCSA-N 0 0 377.529 4.070 40 0 GIABRN Cc1ccccc1NC(=O)N1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc(F)cc1)C2 ZINC000004888159 220784417 /nfs/dbraw/zinc/78/44/17/220784417.db2.gz KQNRMNZGMDYGGU-IHWFROFDSA-N 0 0 395.478 4.482 40 0 GIABRN O=C(NC1CCCCC1)[C@]1(/C=C/c2ccccc2)CC(=O)N1c1cccc(F)c1 ZINC000004889954 220784988 /nfs/dbraw/zinc/78/49/88/220784988.db2.gz BNGNXXQFKIGLQA-ZXYASIKESA-N 0 0 392.474 4.464 40 0 GIABRN COc1ccccc1[C@H](OC(=O)c1cccs1)C(=O)NCCc1ccccc1 ZINC000004901392 220785879 /nfs/dbraw/zinc/78/58/79/220785879.db2.gz HAMMKFPHCOADRP-FQEVSTJZSA-N 0 0 395.480 4.014 40 0 GIABRN COc1ccc2nc3sc(C(=O)NCCc4ccccc4)c(N)c3cc2c1 ZINC000004848779 220776190 /nfs/dbraw/zinc/77/61/90/220776190.db2.gz PHKQNINOPYDHKM-UHFFFAOYSA-N 0 0 377.469 4.013 40 0 GIABRN Cc1cc2c(cc(C(=O)O[C@@H](C(=O)NC3CCCC3)c3ccccc3)n2C)o1 ZINC000004967232 220801415 /nfs/dbraw/zinc/80/14/15/220801415.db2.gz XLGOAIJPVGKPIE-HXUWFJFHSA-N 0 0 380.444 4.037 40 0 GIABRN CCn1c(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1SC ZINC000005001681 220808176 /nfs/dbraw/zinc/80/81/76/220808176.db2.gz WLSQWJCFJCYCQK-UHFFFAOYSA-N 0 0 393.822 4.014 40 0 GIABRN Cn1c(SCc2ccccc2)nnc1[C@H]1CCCN1C(=O)NC1CCCCC1 ZINC000005001588 220808818 /nfs/dbraw/zinc/80/88/18/220808818.db2.gz JTSDEBSYVLFARA-GOSISDBHSA-N 0 0 399.564 4.287 40 0 GIABRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccccc3)o2)C1=O ZINC000409087645 533200619 /nfs/dbraw/zinc/20/06/19/533200619.db2.gz JGLWFALMUBONAI-IWQAVIMZSA-N 0 0 389.454 4.029 40 0 GIABRN COc1ccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)o2)cc1 ZINC000008633880 533202119 /nfs/dbraw/zinc/20/21/19/533202119.db2.gz KDXNPXYAZGKVOS-UHFFFAOYSA-N 0 0 383.473 4.401 40 0 GIABRN COc1ccc([C@H](c2c[nH]c3ccccc32)C2C(=O)OC(C)(C)OC2=O)cc1C ZINC000409111134 533202357 /nfs/dbraw/zinc/20/23/57/533202357.db2.gz BUIGOJOLFMMZPO-LJQANCHMSA-N 0 0 393.439 4.069 40 0 GIABRN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1C ZINC000005558694 220883319 /nfs/dbraw/zinc/88/33/19/220883319.db2.gz UJVBQVYHGAQUGV-UHFFFAOYSA-N 0 0 386.517 4.039 40 0 GIABRN Cc1cc(C)cc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1 ZINC000005688015 220892966 /nfs/dbraw/zinc/89/29/66/220892966.db2.gz JKZDAKXMBPVZEB-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN O=C(NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1)Nc1ccc(F)cc1 ZINC000006472426 220936169 /nfs/dbraw/zinc/93/61/69/220936169.db2.gz MRDUNZRJYZSXFM-UHFFFAOYSA-N 0 0 388.418 4.030 40 0 GIABRN O=C(N[C@H]1CCCc2ccccc21)c1ccccc1I ZINC000006890487 220975081 /nfs/dbraw/zinc/97/50/81/220975081.db2.gz UZOGRNMXNAUMCV-INIZCTEOSA-N 0 0 377.225 4.099 40 0 GIABRN Cc1cc(C)cc(OCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000007720660 221008167 /nfs/dbraw/zinc/00/81/67/221008167.db2.gz UYNWACYFCDAWBS-UHFFFAOYSA-N 0 0 385.851 4.044 40 0 GIABRN Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000007652039 221004188 /nfs/dbraw/zinc/00/41/88/221004188.db2.gz PIWWWBKHJRBCRU-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN C[C@@H](C(=O)c1ccc(Br)cc1)n1nc(-c2cccnc2)oc1=S ZINC000008497219 221043981 /nfs/dbraw/zinc/04/39/81/221043981.db2.gz CIGTVNGFARQSEX-JTQLQIEISA-N 0 0 390.262 4.474 40 0 GIABRN O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000008718124 221051484 /nfs/dbraw/zinc/05/14/84/221051484.db2.gz HZIYRBARCDAVND-OKFMSENYSA-N 0 0 380.532 4.120 40 0 GIABRN CCCc1nnc(SCCCOc2ccc(C=O)cc2OCC)n1CC ZINC000008731764 221052417 /nfs/dbraw/zinc/05/24/17/221052417.db2.gz PHYDAKKZPNNCBF-UHFFFAOYSA-N 0 0 377.510 4.023 40 0 GIABRN COc1cc(CNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc(OC)c1OC ZINC000009888308 221093384 /nfs/dbraw/zinc/09/33/84/221093384.db2.gz IUSGPHLQXOBLDU-LBPRGKRZSA-N 0 0 395.908 4.163 40 0 GIABRN CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000009903467 221094417 /nfs/dbraw/zinc/09/44/17/221094417.db2.gz QDWWQDUBWVBRDD-UHFFFAOYSA-N 0 0 396.468 4.138 40 0 GIABRN O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000009903424 221094432 /nfs/dbraw/zinc/09/44/32/221094432.db2.gz HUVRMCJCMLKNNX-LFIBNONCSA-N 0 0 378.453 4.139 40 0 GIABRN COc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000408699412 533220739 /nfs/dbraw/zinc/22/07/39/533220739.db2.gz UCMOFJNGVZKNPR-UHFFFAOYSA-N 0 0 388.402 4.334 40 0 GIABRN C[C@H](NC(=O)[C@H](c1ccccc1)C1CCCCC1)c1nc(-c2cccnc2)n[nH]1 ZINC000012114739 221151771 /nfs/dbraw/zinc/15/17/71/221151771.db2.gz RKSZLFSJGIKTHJ-OXJNMPFZSA-N 0 0 389.503 4.408 40 0 GIABRN O=C(c1ccc(Cn2cc(Cl)cn2)o1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012116091 221152088 /nfs/dbraw/zinc/15/20/88/221152088.db2.gz RRVSHDQCYIPDHX-QGZVFWFLSA-N 0 0 395.850 4.031 40 0 GIABRN O=C(c1ccc(OC2CSC2)cc1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012116143 221152232 /nfs/dbraw/zinc/15/22/32/221152232.db2.gz YZBIYEXXXLRAEZ-HXUWFJFHSA-N 0 0 393.512 4.425 40 0 GIABRN CC[C@H](C)[C@@H](NC(=O)CCn1nc(C)cc1C)c1nc2cccnc2n1C(C)C ZINC000012114127 221152373 /nfs/dbraw/zinc/15/23/73/221152373.db2.gz FNDVGPLGLLFKBA-MGPUTAFESA-N 0 0 396.539 4.119 40 0 GIABRN COc1ccc(C(=O)NC2(c3ccccc3)CCCC2)cc1Cn1cccn1 ZINC000012143053 221159224 /nfs/dbraw/zinc/15/92/24/221159224.db2.gz VDYWASYMWXUHMH-UHFFFAOYSA-N 0 0 375.472 4.139 40 0 GIABRN CCCc1nc2cc(NC(=O)c3c(C)onc3-c3ccncc3)ccc2n1C ZINC000012147380 221159679 /nfs/dbraw/zinc/15/96/79/221159679.db2.gz WLMBUJFKTPGICV-UHFFFAOYSA-N 0 0 375.432 4.137 40 0 GIABRN COc1ccccc1-c1cc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)no1 ZINC000012148275 221160297 /nfs/dbraw/zinc/16/02/97/221160297.db2.gz QAPVLTVQDWIBQV-QFIPXVFZSA-N 0 0 385.423 4.265 40 0 GIABRN CCOc1ccccc1-c1cc(C(=O)N2CCn3cccc3[C@H]2C(C)C)[nH]n1 ZINC000012147492 221160370 /nfs/dbraw/zinc/16/03/70/221160370.db2.gz LHFFWLRATNXSJT-OAQYLSRUSA-N 0 0 378.476 4.130 40 0 GIABRN Cc1cccc(C2(O)CCN(C(=O)c3ccnc4ccc(Cl)cc43)CC2)c1 ZINC000012325307 221182492 /nfs/dbraw/zinc/18/24/92/221182492.db2.gz NNNZZWVCBLJYHB-UHFFFAOYSA-N 0 0 380.875 4.320 40 0 GIABRN C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3ccccc3F)cc2N1 ZINC000012181400 221162250 /nfs/dbraw/zinc/16/22/50/221162250.db2.gz GSEURTYBVCFJFY-XFBWCDHKSA-N 0 0 396.388 4.307 40 0 GIABRN COc1ccccc1CN(Cc1coc2ccc(C)cc2c1=O)C[C@@H]1CCCO1 ZINC000012187553 221164830 /nfs/dbraw/zinc/16/48/30/221164830.db2.gz WEINLTULGGUSGH-FQEVSTJZSA-N 0 0 393.483 4.291 40 0 GIABRN COc1ccccc1CCCNC(=O)Cc1c(C)oc2c1C(=O)CC(C)(C)C2 ZINC000012191993 221165733 /nfs/dbraw/zinc/16/57/33/221165733.db2.gz DHSLNIDXZBZQFH-UHFFFAOYSA-N 0 0 383.488 4.043 40 0 GIABRN COc1cc(C)c(-c2csc(NC(=O)c3cnc(SC)nc3)n2)cc1C ZINC000012194560 221165752 /nfs/dbraw/zinc/16/57/52/221165752.db2.gz KYMDSMUTLDRJQJ-UHFFFAOYSA-N 0 0 386.502 4.200 40 0 GIABRN COc1ccc(C2(NC(=O)c3nn4c(nc(C)cc4C)c3Cl)CCCC2)cc1 ZINC000012197642 221166763 /nfs/dbraw/zinc/16/67/63/221166763.db2.gz PXAZZZHQWMHQOM-UHFFFAOYSA-N 0 0 398.894 4.207 40 0 GIABRN CCOc1ccc2[nH]c(C(=O)Nc3ccc4c(c3)C[C@@H](C)N4C(C)=O)c(C)c2c1 ZINC000012204605 221168192 /nfs/dbraw/zinc/16/81/92/221168192.db2.gz RYBXIDAMWDJRSE-CYBMUJFWSA-N 0 0 391.471 4.425 40 0 GIABRN Cc1onc(-c2cccnc2)c1C(=O)N[C@H](Cc1cccs1)c1nccs1 ZINC000012226017 221170853 /nfs/dbraw/zinc/17/08/53/221170853.db2.gz IRWOEKUFDUWBDQ-OAHLLOKOSA-N 0 0 396.497 4.277 40 0 GIABRN COc1ccc(F)cc1-c1ccccc1CC1(C(=O)NCC2CC2)CCOCC1 ZINC000012231543 221172032 /nfs/dbraw/zinc/17/20/32/221172032.db2.gz AZFSDFJAFRUAIB-UHFFFAOYSA-N 0 0 397.490 4.367 40 0 GIABRN CCOc1cccc2c1O[C@]1(C)C[C@H]2NC(=S)N1Cc1ccc(OC)cc1 ZINC000012415957 221190670 /nfs/dbraw/zinc/19/06/70/221190670.db2.gz VMQQSURIROHROF-DYESRHJHSA-N 0 0 384.501 4.024 40 0 GIABRN O=C(CSc1nnc(-c2ccc(O)cc2)n1Cc1ccco1)c1cccs1 ZINC000013126023 221261346 /nfs/dbraw/zinc/26/13/46/221261346.db2.gz FKRJCHJCHZWRJG-UHFFFAOYSA-N 0 0 397.481 4.329 40 0 GIABRN CC(=O)O[C@@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 ZINC000013408477 221267737 /nfs/dbraw/zinc/26/77/37/221267737.db2.gz CQNXXURIGGLIOE-FTQGCKHGSA-N 0 0 376.537 4.281 40 0 in-vitro GIABRN CC(=O)O[C@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 ZINC000013408481 221267791 /nfs/dbraw/zinc/26/77/91/221267791.db2.gz CQNXXURIGGLIOE-MVAZZOICSA-N 0 0 376.537 4.281 40 0 GIABRN Cc1ccccc1[C@H]1c2c(O)n(-c3ccccc3)c(O)c2ON1c1ccccc1 ZINC000013758350 221288012 /nfs/dbraw/zinc/28/80/12/221288012.db2.gz JEELBLXZKKKFJU-FSSWDIPSSA-N 0 0 384.435 4.046 40 0 GIABRN C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000013685601 221280594 /nfs/dbraw/zinc/28/05/94/221280594.db2.gz VZCMYZXHMBASAF-AWEZNQCLSA-N 0 0 398.846 4.269 40 0 GIABRN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000013685597 221280828 /nfs/dbraw/zinc/28/08/28/221280828.db2.gz VZCMYZXHMBASAF-CQSZACIVSA-N 0 0 398.846 4.269 40 0 GIABRN CCCCNC(=O)c1ccccc1NC(=O)COc1cccc2ccccc21 ZINC000013684182 221281330 /nfs/dbraw/zinc/28/13/30/221281330.db2.gz GFECXWRWUCMFSR-UHFFFAOYSA-N 0 0 376.456 4.387 40 0 GIABRN CC[C@@H](C(=O)Nc1c(C)cccc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714124 221282739 /nfs/dbraw/zinc/28/27/39/221282739.db2.gz HFGYRXHUAMGAAX-KRWDZBQOSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713556 221283057 /nfs/dbraw/zinc/28/30/57/221283057.db2.gz OKFMQJSSXJJXSR-IBGZPJMESA-N 0 0 388.533 4.104 40 0 GIABRN COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2Cl)sc2c1CCCC2 ZINC000013709903 221283102 /nfs/dbraw/zinc/28/31/02/221283102.db2.gz SNTXIBRRDWQQHL-LLVKDONJSA-N 0 0 393.892 4.473 40 0 GIABRN CCc1ccccc1NC(=O)[C@H](CC)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714139 221283180 /nfs/dbraw/zinc/28/31/80/221283180.db2.gz IWKUQYQHRLYAAR-SFHVURJKSA-N 0 0 394.924 4.086 40 0 GIABRN Cc1ccccc1N1C[C@@H](C(=O)NCC(c2ccccc2)c2ccccc2)CC1=O ZINC000013999519 221295337 /nfs/dbraw/zinc/29/53/37/221295337.db2.gz RLUBXLQNEDLIMC-QFIPXVFZSA-N 0 0 398.506 4.296 40 0 GIABRN COc1ccccc1/C=C/C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000014582701 221312624 /nfs/dbraw/zinc/31/26/24/221312624.db2.gz XOPLBYGMOVCVLF-VAWYXSNFSA-N 0 0 383.498 4.491 40 0 GIABRN O=C(Cc1csc(-c2ccccn2)n1)n1cccc/c1=N\C1CCCCC1 ZINC000014806703 221317767 /nfs/dbraw/zinc/31/77/67/221317767.db2.gz OXQSHLJXUNCWGW-FCDQGJHFSA-N 0 0 378.501 4.123 40 0 GIABRN O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)N(Cc2ccccc2)C1 ZINC000015674140 221338934 /nfs/dbraw/zinc/33/89/34/221338934.db2.gz IFPDPJJYUWRJKU-SJORKVTESA-N 0 0 389.377 4.063 40 0 biogenic,in-vitro GIABRN CCOP(=O)(OCC)C(=Cn1c2ccc(C)cc2[nH]c1=S)C(=O)OC ZINC000017222332 221381156 /nfs/dbraw/zinc/38/11/56/221381156.db2.gz OGHXQXOXSWUVDD-UVTDQMKNSA-N 0 0 384.394 4.245 40 0 GIABRN CC(=O)n1c(-c2ccccc2)nc2c1SC(c1ccccc1)=NN2C(C)=O ZINC000016777531 221371315 /nfs/dbraw/zinc/37/13/15/221371315.db2.gz DXCKTMADPSDGJC-UHFFFAOYSA-N 0 0 376.441 4.031 40 0 GIABRN O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000016805061 221371446 /nfs/dbraw/zinc/37/14/46/221371446.db2.gz HVSNYQQANCAZFS-DHDCSXOGSA-N 0 0 390.823 4.154 40 0 GIABRN CC(=O)n1c(C2CCCCC2)nc2c1SC(c1ccccc1)=NN2C(C)=O ZINC000016807181 221372746 /nfs/dbraw/zinc/37/27/46/221372746.db2.gz OMEMFRGYLNTUFD-UHFFFAOYSA-N 0 0 382.489 4.411 40 0 GIABRN COc1ccccc1CNC(=O)Cc1csc(Nc2cccc(Cl)c2)n1 ZINC000016850359 221374050 /nfs/dbraw/zinc/37/40/50/221374050.db2.gz OEXMWTLWYOAEAN-UHFFFAOYSA-N 0 0 387.892 4.408 40 0 GIABRN CCC[C@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2ON1c1ccccc1 ZINC000018044978 221385644 /nfs/dbraw/zinc/38/56/44/221385644.db2.gz CGVSMVAPPLMWHE-BDTNDASRSA-N 0 0 386.451 4.318 40 0 GIABRN Cc1ccccc1[C@H]1[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000018164701 221388394 /nfs/dbraw/zinc/38/83/94/221388394.db2.gz KQRUZMIDWXROHC-VJBWXMMDSA-N 0 0 398.462 4.042 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)C[C@@H]1C=CCC1 ZINC000019017485 221394140 /nfs/dbraw/zinc/39/41/40/221394140.db2.gz VGAKSZCBHTUNFV-SPHCQZIESA-N 0 0 380.532 4.128 40 0 GIABRN CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)C3CCCCC3)CC2)C1 ZINC000019019792 221395019 /nfs/dbraw/zinc/39/50/19/221395019.db2.gz PMXNUPODZXSFKU-UHFFFAOYSA-N 0 0 398.547 4.148 40 0 GIABRN CN(C[C@@H]1OCCc2ccccc21)C(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 ZINC000019082390 221396603 /nfs/dbraw/zinc/39/66/03/221396603.db2.gz HOZNFZOBLYWVEC-UZLBHIALSA-N 0 0 382.504 4.212 40 0 GIABRN CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3ccco3)CC2)n1 ZINC000019084755 221396612 /nfs/dbraw/zinc/39/66/12/221396612.db2.gz JSHDXHROOIWYDZ-UHFFFAOYSA-N 0 0 390.487 4.449 40 0 GIABRN CC(C)C(=O)N1CCC[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 ZINC000019085386 221396925 /nfs/dbraw/zinc/39/69/25/221396925.db2.gz BEGBJEGRBMMAAX-QHCPKHFHSA-N 0 0 398.572 4.311 40 0 GIABRN Cc1cc2nc([C@H]3CCCN3C(=O)CCn3ccnc3C(C)C)[nH]c2cc1C ZINC000019125346 221397353 /nfs/dbraw/zinc/39/73/53/221397353.db2.gz VXYUHVNRSIIIJC-LJQANCHMSA-N 0 0 379.508 4.253 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)on1 ZINC000019121831 221397476 /nfs/dbraw/zinc/39/74/76/221397476.db2.gz VDLJVWNBFFGNDP-IBGZPJMESA-N 0 0 394.450 4.184 40 0 GIABRN CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1cc(C)cs1 ZINC000019124606 221397687 /nfs/dbraw/zinc/39/76/87/221397687.db2.gz WNDQILDCDFUNSO-KCZVDYSFSA-N 0 0 396.556 4.456 40 0 GIABRN Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)[C@@H]3CC=CCC3)cc2)on1 ZINC000019123791 221397711 /nfs/dbraw/zinc/39/77/11/221397711.db2.gz SEMJAUBFQZUPFU-LJQANCHMSA-N 0 0 388.471 4.388 40 0 GIABRN Cc1cc(C)c2c(C3CCN(C(=O)c4ccccn4)CC3)nn(CC(C)C)c2n1 ZINC000019118897 221398078 /nfs/dbraw/zinc/39/80/78/221398078.db2.gz XOYGCKFOGVEAON-UHFFFAOYSA-N 0 0 391.519 4.119 40 0 GIABRN Cc1nc(-c2ccc(NC(=O)c3ccc([C@@H](C)N4CCOCC4)o3)cc2)cs1 ZINC000019285630 221403069 /nfs/dbraw/zinc/40/30/69/221403069.db2.gz DCGHIZYBBTXMPU-CQSZACIVSA-N 0 0 397.500 4.357 40 0 GIABRN Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000019560776 221426012 /nfs/dbraw/zinc/42/60/12/221426012.db2.gz HUTOEIGRDCLMSY-ZDUSSCGKSA-N 0 0 393.468 4.014 40 0 GIABRN C[C@H](NC(=O)c1ccc(Oc2ncccn2)cc1)c1nc2ccccc2s1 ZINC000019459892 221416583 /nfs/dbraw/zinc/41/65/83/221416583.db2.gz UWMNRDNCIJKODH-ZDUSSCGKSA-N 0 0 376.441 4.370 40 0 GIABRN CCC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2)(C(=O)NCC(C)C)C1 ZINC000019498465 221416961 /nfs/dbraw/zinc/41/69/61/221416961.db2.gz XEDWHBPHDYQGHW-RUZDIDTESA-N 0 0 392.543 4.297 40 0 GIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC(c2cc3ncccc3[nH]2)CC1 ZINC000019499363 221417020 /nfs/dbraw/zinc/41/70/20/221417020.db2.gz ZFSNOCMFPPYCHA-QFIPXVFZSA-N 0 0 393.487 4.135 40 0 GIABRN CC[C@H](C(=O)N1CCC[C@H](c2ccnc(-c3ccncc3)n2)C1)c1ccccc1 ZINC000019500544 221417980 /nfs/dbraw/zinc/41/79/80/221417980.db2.gz LIVMGLMNEMNWOL-SFTDATJTSA-N 0 0 386.499 4.438 40 0 GIABRN CCOc1ccccc1C(=O)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1 ZINC000019520080 221419635 /nfs/dbraw/zinc/41/96/35/221419635.db2.gz BGJNEKOLHFBOMV-IBGZPJMESA-N 0 0 376.460 4.238 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@H]2c2ccc(Cc3cccc(F)c3)cn2)o1 ZINC000019688451 221440376 /nfs/dbraw/zinc/44/03/76/221440376.db2.gz YNHZQQFJCMVNBS-FQEVSTJZSA-N 0 0 379.435 4.394 40 0 GIABRN Cc1nn(C)cc1-c1csc(NC(=O)Cc2csc(-c3ccccc3)n2)n1 ZINC000019715116 221444852 /nfs/dbraw/zinc/44/48/52/221444852.db2.gz YFJWUEATCVRSAG-UHFFFAOYSA-N 0 0 395.513 4.157 40 0 GIABRN Cc1nn2c(ncc3c2ccn(-c2ccncc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000019821285 221458272 /nfs/dbraw/zinc/45/82/72/221458272.db2.gz YRVQLOJHLYSGMZ-UHFFFAOYSA-N 0 0 387.830 4.057 40 0 GIABRN COc1ccc(/C=C/C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1 ZINC000020609959 221504555 /nfs/dbraw/zinc/50/45/55/221504555.db2.gz IBUXUDLACAXCTQ-VGOFMYFVSA-N 0 0 384.439 4.389 40 0 GIABRN COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)c1cccnc1 ZINC000020611410 221505080 /nfs/dbraw/zinc/50/50/80/221505080.db2.gz WXIJJOXXEXBAQM-UHFFFAOYSA-N 0 0 380.791 4.199 40 0 GIABRN CC(C)CCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(F)cc1)C3 ZINC000020671517 221506583 /nfs/dbraw/zinc/50/65/83/221506583.db2.gz LOOSYAXERVSPSB-CQSZACIVSA-N 0 0 384.480 4.314 40 0 GIABRN COc1cccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1O ZINC000106687169 533387420 /nfs/dbraw/zinc/38/74/20/533387420.db2.gz QKSVOPJXGOAGSU-DHDCSXOGSA-N 0 0 375.833 4.291 40 0 GIABRN COc1cccc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c1 ZINC000409328108 533387301 /nfs/dbraw/zinc/38/73/01/533387301.db2.gz ZHPQGJSIBDCJQV-LICLKQGHSA-N 0 0 387.844 4.268 40 0 GIABRN COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(OC)c1O ZINC000409144188 533473532 /nfs/dbraw/zinc/47/35/32/533473532.db2.gz NLDUEFZCXXBDOP-QGOAFFKASA-N 0 0 399.468 4.079 40 0 GIABRN COc1cc(Br)cc(/C=C2\Sc3ccccc3NC2=O)c1O ZINC000409104753 533486983 /nfs/dbraw/zinc/48/69/83/533486983.db2.gz FIDWWJRMCLMFIG-AUWJEWJLSA-N 0 0 378.247 4.249 40 0 GIABRN COC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)c(C)c1 ZINC000409097810 533584997 /nfs/dbraw/zinc/58/49/97/533584997.db2.gz HMBFWMLJKAQIGW-UHFFFAOYSA-N 0 0 387.892 4.470 40 0 GIABRN Cc1ccc(C)c(N(CCCC(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)c1 ZINC000408703143 533671919 /nfs/dbraw/zinc/67/19/19/533671919.db2.gz NSYASNYQXUREGB-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN O=C(CCc1ccc(F)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000060879881 136155879 /nfs/dbraw/zinc/15/58/79/136155879.db2.gz LXPQMCJZZSCGJZ-UHFFFAOYSA-N 0 0 380.385 4.126 40 0 GIABRN COc1ccc(-c2cc3nc4c(c(N5C[C@@H](C)C[C@H](C)C5)n3n2)CCC4)cc1 ZINC000001340943 136193221 /nfs/dbraw/zinc/19/32/21/136193221.db2.gz HMRYWIDYNFHTOD-HOTGVXAUSA-N 0 0 376.504 4.376 40 0 GIABRN CCc1cc2cccc(C)c2nc1SCC(=O)N1CC(=O)Nc2ccccc21 ZINC000004849309 136194150 /nfs/dbraw/zinc/19/41/50/136194150.db2.gz VYSPOPSHNBYSNN-UHFFFAOYSA-N 0 0 391.496 4.183 40 0 GIABRN C[C@@H]1CC(C)(C)N(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c2ccccc21 ZINC000005625707 136194966 /nfs/dbraw/zinc/19/49/66/136194966.db2.gz JSQRDUGIOLUOMG-CQSZACIVSA-N 0 0 393.512 4.334 40 0 GIABRN C[C@H](Sc1nnc(N)s1)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000022737551 136202749 /nfs/dbraw/zinc/20/27/49/136202749.db2.gz WSTFRVHNXQZFHH-JTQLQIEISA-N 0 0 386.527 4.430 40 0 GIABRN Cc1cc(OCC(=O)NCCCN2CCCc3ccccc32)cc(C)c1Cl ZINC000218927790 136203883 /nfs/dbraw/zinc/20/38/83/136203883.db2.gz DEVFJDLFYGLRJW-UHFFFAOYSA-N 0 0 386.923 4.295 40 0 GIABRN Cc1cc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc(C)c1Cl ZINC000218919692 136203921 /nfs/dbraw/zinc/20/39/21/136203921.db2.gz UZKRUDDYLUZEQO-UHFFFAOYSA-N 0 0 393.314 4.338 40 0 GIABRN CCOc1ccccc1CCCNC(=O)C1CCN(c2ccc(C)cc2)CC1 ZINC000219861635 136204359 /nfs/dbraw/zinc/20/43/59/136204359.db2.gz BKUGQHWCZGAWQL-UHFFFAOYSA-N 0 0 380.532 4.359 40 0 GIABRN O=C(Nc1cccc2ccccc21)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000222550859 136204816 /nfs/dbraw/zinc/20/48/16/136204816.db2.gz PAAGXHAXFMAKFK-UHFFFAOYSA-N 0 0 380.469 4.022 40 0 GIABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(N3CCOCC3)cc2)cc1C(C)C ZINC000223317757 136205685 /nfs/dbraw/zinc/20/56/85/136205685.db2.gz LJZHNMCRQJAVJJ-GOSISDBHSA-N 0 0 396.531 4.455 40 0 GIABRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccccc3F)C2=O)c1 ZINC000409330801 533680225 /nfs/dbraw/zinc/68/02/25/533680225.db2.gz BKVFVKQVILMGRT-LICLKQGHSA-N 0 0 384.432 4.118 40 0 GIABRN CCn1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c2cc(OC)ccc21 ZINC000022235812 221555646 /nfs/dbraw/zinc/55/56/46/221555646.db2.gz KTHLHRDVUXVOAJ-UHFFFAOYSA-N 0 0 390.361 4.301 40 0 GIABRN Cc1c(Cl)cccc1-n1ccc2nc3ncnn3c(-c3ccccc3)c2c1=O ZINC000022607898 221565397 /nfs/dbraw/zinc/56/53/97/221565397.db2.gz KOTARULLOVCHFW-UHFFFAOYSA-N 0 0 387.830 4.057 40 0 GIABRN COCc1cccc(NC(=O)COc2ccc(Cl)cc2Br)c1 ZINC000026032052 221634926 /nfs/dbraw/zinc/63/49/26/221634926.db2.gz ZLWTYWLGRXBAPA-UHFFFAOYSA-N 0 0 384.657 4.266 40 0 GIABRN O=C(c1ccc(Cl)cc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000029634223 221695175 /nfs/dbraw/zinc/69/51/75/221695175.db2.gz DDXCKMRUBPMSRW-UHFFFAOYSA-N 0 0 386.776 4.460 40 0 GIABRN O=C(CCc1ccc2c(c1)OCCO2)NCCSCc1ccc(Cl)cc1 ZINC000032340773 221721036 /nfs/dbraw/zinc/72/10/36/221721036.db2.gz JBOVULDKUMNOEU-UHFFFAOYSA-N 0 0 391.920 4.093 40 0 GIABRN Cc1ccccc1NC(=O)CSc1nnc2c3cc(Cl)ccc3[nH]c2n1 ZINC000035291712 221814291 /nfs/dbraw/zinc/81/42/91/221814291.db2.gz ZNFRLAHLQRGFSM-UHFFFAOYSA-N 0 0 383.864 4.199 40 0 GIABRN CCOc1cccc2sc(NC(=O)Cn3c(CC)nc4ccccc43)nc21 ZINC000035316944 221817287 /nfs/dbraw/zinc/81/72/87/221817287.db2.gz QYZBTCOEUJPREI-UHFFFAOYSA-N 0 0 380.473 4.246 40 0 GIABRN COc1ccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)c(OC)c1 ZINC000035314151 221818044 /nfs/dbraw/zinc/81/80/44/221818044.db2.gz INMJDAYREUPORX-UHFFFAOYSA-N 0 0 397.500 4.169 40 0 GIABRN Cc1nn(C)cc1/C=C1\C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@@H]1O ZINC000036612945 221861187 /nfs/dbraw/zinc/86/11/87/221861187.db2.gz YTAQORRMQHRTNQ-FPFBHBDTSA-N 0 0 378.516 4.345 40 0 GIABRN CCOc1ccccc1N1C(=O)C[C@@H](Nc2cccc(Cl)c2Cl)C1=O ZINC000036635682 221861962 /nfs/dbraw/zinc/86/19/62/221861962.db2.gz AOPPZIRTBLZZFQ-CYBMUJFWSA-N 0 0 379.243 4.136 40 0 GIABRN CCC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000044904169 221956464 /nfs/dbraw/zinc/95/64/64/221956464.db2.gz NZLMRDJOELDMIZ-ZDUSSCGKSA-N 0 0 380.897 4.059 40 0 GIABRN Nc1c(C(=O)c2c[nH]c3ccccc23)cnn1-c1ccc(OC(F)(F)F)cc1 ZINC000057775090 222036589 /nfs/dbraw/zinc/03/65/89/222036589.db2.gz NFFVROJTQABBSL-UHFFFAOYSA-N 0 0 386.333 4.065 40 0 GIABRN COc1ccc(CNC(=O)c2ccccc2SC(C)C)c(OC)c1OC ZINC000045416845 221962727 /nfs/dbraw/zinc/96/27/27/221962727.db2.gz ATQPUQSZDHSXSJ-UHFFFAOYSA-N 0 0 375.490 4.143 40 0 GIABRN Cc1cc(Br)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1Cl ZINC000054363167 222013038 /nfs/dbraw/zinc/01/30/38/222013038.db2.gz VYBIHVUIJJLWFM-NXEZZACHSA-N 0 0 380.735 4.078 40 0 GIABRN Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C)cc1Cl ZINC000054363110 222013573 /nfs/dbraw/zinc/01/35/73/222013573.db2.gz JFDBWCUIGCVGSW-RNCFNFMXSA-N 0 0 380.735 4.268 40 0 GIABRN C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)C1 ZINC000054363493 222013970 /nfs/dbraw/zinc/01/39/70/222013970.db2.gz OFGZNMHISNWKLD-MRVPVSSYSA-N 0 0 387.126 4.177 40 0 GIABRN 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]3CC[C@]12C ZINC000058603874 222053552 /nfs/dbraw/zinc/05/35/52/222053552.db2.gz LNQFXEKUXJUUMN-PGFPPNSYSA-N 0 0 376.537 4.138 40 0 GIABRN CS(=O)(=O)Nc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000061341688 222061854 /nfs/dbraw/zinc/06/18/54/222061854.db2.gz GXOUBSRVIAGSNA-UHFFFAOYSA-N 0 0 393.679 4.271 40 0 GIABRN COc1ccc(-c2cnc(CCC(=O)N[C@H](C)CCc3ccccc3)o2)cc1 ZINC000063888794 222069614 /nfs/dbraw/zinc/06/96/14/222069614.db2.gz XKUDVIXEMSIIOK-QGZVFWFLSA-N 0 0 378.472 4.420 40 0 GIABRN CC1=C[C@@H](CNC(=O)C2CCC2)[C@H](C(C)C)C[C@H]1Cc1nc2cccnc2[nH]1 ZINC000072320810 222226272 /nfs/dbraw/zinc/22/62/72/222226272.db2.gz XFIPNSYECQWJTN-FHWLQOOXSA-N 0 0 380.536 4.271 40 0 biogenic,in-vitro GIABRN C[C@]12CC[C@H](C[C@@H]1C(=O)NC1CCCCCC1)[C@@]1(C2)Nc2ccccc2C(=O)N1 ZINC000072326951 222228425 /nfs/dbraw/zinc/22/84/25/222228425.db2.gz FPXHHXMDWZMCJP-ARMQZXDMSA-N 0 0 395.547 4.204 40 0 GIABRN C[C@@H]1C[C@@H]1C(=O)N1CC[C@H](c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C(C)(C)C)N3)C1 ZINC000072337826 222229748 /nfs/dbraw/zinc/22/97/48/222229748.db2.gz LMWTYJYVPCZGRO-GADBESIXSA-N 0 0 398.473 4.189 40 0 GIABRN COc1cc(CN2[C@@H]3CC[C@H]2c2cnc4cc(C(C)(C)C)nn4c2C3)ccc1O ZINC000072337359 222230420 /nfs/dbraw/zinc/23/04/20/222230420.db2.gz HEXFTBPHDHZVAR-WBVHZDCISA-N 0 0 392.503 4.003 40 0 GIABRN COc1cc2c(cc1OC)[C@@H](c1cc(C)no1)N(C(=O)c1ccc(C)s1)CC2 ZINC000072342727 222231186 /nfs/dbraw/zinc/23/11/86/222231186.db2.gz DUHRZCDOACBEFF-FQEVSTJZSA-N 0 0 398.484 4.158 40 0 GIABRN O=C(Cc1ccccc1)N1CCC[C@@H](c2cccc(-c3ccc(CO)cc3)n2)C1 ZINC000072348995 222235588 /nfs/dbraw/zinc/23/55/88/222235588.db2.gz JOCPBEQZMBMOHI-JOCHJYFZSA-N 0 0 386.495 4.190 40 0 GIABRN O=C(c1cc[nH]n1)N1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072349816 222236312 /nfs/dbraw/zinc/23/63/12/222236312.db2.gz RKOYMCDJUBOCOX-MRXNPFEDSA-N 0 0 380.879 4.069 40 0 GIABRN Cc1n[nH]cc1C(=O)N1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072349766 222236355 /nfs/dbraw/zinc/23/63/55/222236355.db2.gz GJBCKQWIXCDOGS-QGZVFWFLSA-N 0 0 394.906 4.377 40 0 GIABRN Cc1cccc(-c2cccc([C@@H]3CCCN(CC(=O)Nc4ccccn4)C3)n2)c1 ZINC000072349539 222236370 /nfs/dbraw/zinc/23/63/70/222236370.db2.gz NCQGFYFUAYCHSL-HXUWFJFHSA-N 0 0 386.499 4.270 40 0 GIABRN O=C(Cc1cccnc1)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072349403 222236435 /nfs/dbraw/zinc/23/64/35/222236435.db2.gz GHFFQJOULXALKL-FQEVSTJZSA-N 0 0 389.474 4.155 40 0 GIABRN O=C(Cc1cccnc1)N1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072349374 222236621 /nfs/dbraw/zinc/23/66/21/222236621.db2.gz ABMKTBFIAIPRMW-SFHVURJKSA-N 0 0 375.447 4.231 40 0 GIABRN Cn1ccc(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(Cl)c4)n3)C2)n1 ZINC000072349918 222236630 /nfs/dbraw/zinc/23/66/30/222236630.db2.gz LJEKCHDSZJWFLO-MRXNPFEDSA-N 0 0 380.879 4.155 40 0 GIABRN COCCC(=O)N1CCC[C@@H](c2cc(Cc3cccc(Cl)c3)cc(C)n2)C1 ZINC000072353914 222238003 /nfs/dbraw/zinc/23/80/03/222238003.db2.gz WEVUTFKKJJEXQP-LJQANCHMSA-N 0 0 386.923 4.377 40 0 GIABRN Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)c4cnccn4)C3)c2)c1 ZINC000072353835 222238160 /nfs/dbraw/zinc/23/81/60/222238160.db2.gz ZPVLDWOLJXCWFE-NRFANRHFSA-N 0 0 386.499 4.099 40 0 GIABRN Cc1ncsc1C(=O)N1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072359032 222239500 /nfs/dbraw/zinc/23/95/00/222239500.db2.gz AQAZTBWWCPYJDV-OAHLLOKOSA-N 0 0 382.464 4.067 40 0 GIABRN COc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 ZINC000072362466 222240514 /nfs/dbraw/zinc/24/05/14/222240514.db2.gz UXYJGMNWXRIMOE-KRWDZBQOSA-N 0 0 381.476 4.174 40 0 GIABRN O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000072375288 222242340 /nfs/dbraw/zinc/24/23/40/222242340.db2.gz DDTZNKHSFVWZIS-QGZVFWFLSA-N 0 0 382.464 4.327 40 0 GIABRN Cc1nc(NCCCN(C)c2ccccc2)cc(-c2ccc3c(c2)ncn3C)n1 ZINC000072373336 222242617 /nfs/dbraw/zinc/24/26/17/222242617.db2.gz QLZHRMGMSUIOQB-UHFFFAOYSA-N 0 0 386.503 4.277 40 0 GIABRN CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)c3ccccc3)n2)s1 ZINC000072375136 222242663 /nfs/dbraw/zinc/24/26/63/222242663.db2.gz DFRPTSYKVRXLJL-MRXNPFEDSA-N 0 0 379.489 4.216 40 0 GIABRN Cc1nc(CC(=O)N2CCC[C@@H]2c2cccc(Nc3cccc(C)n3)n2)cs1 ZINC000072375424 222242978 /nfs/dbraw/zinc/24/29/78/222242978.db2.gz ZZWUUOWVHISQJB-GOSISDBHSA-N 0 0 393.516 4.200 40 0 GIABRN Nc1ncc(-c2ccccc2)c([C@@H]2CCCCN2C(=O)c2ccc(F)cc2)n1 ZINC000072376805 222244275 /nfs/dbraw/zinc/24/42/75/222244275.db2.gz WQXKMLWWRXBFQP-IBGZPJMESA-N 0 0 376.435 4.232 40 0 GIABRN Nc1ncc(-c2ccccc2)c([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000072377037 222245280 /nfs/dbraw/zinc/24/52/80/222245280.db2.gz BFWKNWOWBBKAKJ-FQEVSTJZSA-N 0 0 390.462 4.161 40 0 GIABRN CCc1nccn1-c1cccc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 ZINC000072378961 222245783 /nfs/dbraw/zinc/24/57/83/222245783.db2.gz JKZRBKZAEHGONY-HXUWFJFHSA-N 0 0 388.515 4.169 40 0 GIABRN O=C(c1cscn1)N1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1 ZINC000072384078 222246774 /nfs/dbraw/zinc/24/67/74/222246774.db2.gz GYBKYBNASCDQAD-INIZCTEOSA-N 0 0 386.864 4.356 40 0 GIABRN CCOc1cc(C=O)ccc1OCc1nc(-c2ccc(OC(F)F)cc2)no1 ZINC000089263038 222327695 /nfs/dbraw/zinc/32/76/95/222327695.db2.gz OCHHLJQIJQNPSH-UHFFFAOYSA-N 0 0 390.342 4.128 40 0 GIABRN c1ccc2c(c1)N[C@@H]([C@@H]1O[C@H]3CCCN3[C@H]1[C@@H]1Nc3ccccc3S1)S2 ZINC000073351363 222270891 /nfs/dbraw/zinc/27/08/91/222270891.db2.gz SKSITQFSDMBHNB-OMQSBVIBSA-N 0 0 383.542 4.264 40 0 GIABRN CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1cccc(C)c1 ZINC000082086743 222308454 /nfs/dbraw/zinc/30/84/54/222308454.db2.gz LNDDZCMBAPJUKG-QFIPXVFZSA-N 0 0 377.488 4.497 40 0 GIABRN Cc1ccc(NC(=O)c2cc(-c3cnc(Nc4ccccc4)nc3)cn2C)cn1 ZINC000096037593 222372406 /nfs/dbraw/zinc/37/24/06/222372406.db2.gz UPLYQDHHZLYXKV-UHFFFAOYSA-N 0 0 384.443 4.181 40 0 GIABRN Cc1occc1C(=O)N1CCC2(C[C@@H](CC(=O)NC(C)C)c3ccccc32)CC1 ZINC000096052638 222374675 /nfs/dbraw/zinc/37/46/75/222374675.db2.gz KDMDSVHWGXGVBY-GOSISDBHSA-N 0 0 394.515 4.164 40 0 GIABRN CC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)c3cccs3)CC2)c2ccccc21 ZINC000096052649 222375109 /nfs/dbraw/zinc/37/51/09/222375109.db2.gz LUUGGRVYHYWAEN-QGZVFWFLSA-N 0 0 396.556 4.324 40 0 GIABRN O=C(c1ccco1)N1CCC(c2nc3ccc(Nc4ccccc4)cn3n2)CC1 ZINC000096038324 222375456 /nfs/dbraw/zinc/37/54/56/222375456.db2.gz MIFFOTGSBWTMHE-UHFFFAOYSA-N 0 0 387.443 4.086 40 0 GIABRN Cc1nc(-c2ccc(F)cc2)nc2c1CCN(C(=O)Nc1ccccc1F)CC2 ZINC000096083879 222378338 /nfs/dbraw/zinc/37/83/38/222378338.db2.gz DUHLZCJHNZXAGJ-UHFFFAOYSA-N 0 0 394.425 4.363 40 0 GIABRN Cc1ccc(CNC(=O)c2cc(-c3cnc(Nc4ccccc4)nc3)cn2C)o1 ZINC000096147589 222389854 /nfs/dbraw/zinc/38/98/54/222389854.db2.gz IEVLAALZWDGOTA-UHFFFAOYSA-N 0 0 387.443 4.057 40 0 GIABRN O=C(NCc1ccncc1)c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12 ZINC000096154734 222390922 /nfs/dbraw/zinc/39/09/22/222390922.db2.gz VKWNYVSINGOFDU-UHFFFAOYSA-N 0 0 385.471 4.243 40 0 GIABRN O=C(NC1CCCCC1)c1ccnn1-c1ccc2ccc(-c3ccncc3)cn21 ZINC000096155273 222393529 /nfs/dbraw/zinc/39/35/29/222393529.db2.gz LVAQYUSDSKACTR-UHFFFAOYSA-N 0 0 385.471 4.250 40 0 GIABRN O=C(NC[C@H]1CC[C@H](c2ncncc2-c2ccncc2)CC1)c1ccccc1F ZINC000100738774 222460540 /nfs/dbraw/zinc/46/05/40/222460540.db2.gz NWYUOMJKCJLYSU-MAEOIBBWSA-N 0 0 390.462 4.382 40 0 GIABRN COc1ccc(OC)c([C@H](C)NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 ZINC000104917244 222503706 /nfs/dbraw/zinc/50/37/06/222503706.db2.gz AQEAKEGPMJEJAN-ZDUSSCGKSA-N 0 0 377.868 4.392 40 0 GIABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(C)CC[C@@H]32)C1 ZINC000118925733 222523555 /nfs/dbraw/zinc/52/35/55/222523555.db2.gz AGKUVCXEPCJNMJ-LSXNRQBNSA-N 0 0 376.537 4.138 40 0 GIABRN Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)cc1C ZINC000408668807 534190723 /nfs/dbraw/zinc/19/07/23/534190723.db2.gz FHRPMHMANGMZQJ-XMDBHEJHSA-N 0 0 390.483 4.481 40 0 GIABRN Cc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1C ZINC000409178018 534191698 /nfs/dbraw/zinc/19/16/98/534191698.db2.gz KELQSPPGQOUEGD-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN O=C(NCCNc1ccnc2cc(Cl)ccc21)c1conc1-c1ccccc1 ZINC000225870191 534362079 /nfs/dbraw/zinc/36/20/79/534362079.db2.gz YCQHCMOFFJJAMT-UHFFFAOYSA-N 0 0 392.846 4.385 40 0 GIABRN O=C(CSc1nnc(COc2ccccc2F)o1)Nc1cccc(Cl)c1 ZINC000409386429 534677129 /nfs/dbraw/zinc/67/71/29/534677129.db2.gz TWRBBCBVTZOBML-UHFFFAOYSA-N 0 0 393.827 4.172 40 0 GIABRN O=C1N/C(=C\c2ccccc2OCc2ccccc2)C(=O)N1C1CCCCC1 ZINC000409078023 534781867 /nfs/dbraw/zinc/78/18/67/534781867.db2.gz GLUNZOQFPGMPIZ-HKWRFOASSA-N 0 0 376.456 4.491 40 0 GIABRN Cc1ccccc1-n1cccc1/C=C1/NC(=O)N(Cc2ccccc2F)C1=O ZINC000409069202 534793282 /nfs/dbraw/zinc/79/32/82/534793282.db2.gz WRJYNKNDPWWKLB-CPNJWEJPSA-N 0 0 375.403 4.018 40 0 GIABRN O=C(NCC1=N[C@@H](c2ccccc2)c2ccccc2-n2cccc21)c1ccco1 ZINC000225375963 534813026 /nfs/dbraw/zinc/81/30/26/534813026.db2.gz JEHWCFLCLZQONQ-QHCPKHFHSA-N 0 0 381.435 4.392 40 0 GIABRN Cc1cc2cc3c(cc2nc1SCC(=O)N1CCCc2ccccc21)OCO3 ZINC000000930023 525647708 /nfs/dbraw/zinc/64/77/08/525647708.db2.gz JPRIZIMHCPNJLA-UHFFFAOYSA-N 0 0 392.480 4.343 40 0 GIABRN CC(C)(C)NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000408973684 526325026 /nfs/dbraw/zinc/32/50/26/526325026.db2.gz ONJWBJBOQBWEPI-NRFANRHFSA-N 0 0 382.529 4.032 40 0 GIABRN CC(C)C(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000408624072 527484590 /nfs/dbraw/zinc/48/45/90/527484590.db2.gz AWTNHEOPVWKLOS-UHFFFAOYSA-N 0 0 381.457 4.154 40 0 GIABRN CCC1CCC(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000408708740 527847349 /nfs/dbraw/zinc/84/73/49/527847349.db2.gz LYNMVDKQIJKYQM-UHFFFAOYSA-N 0 0 376.806 4.382 40 0 GIABRN CCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)C)cc2)N1 ZINC000409105590 528065442 /nfs/dbraw/zinc/06/54/42/528065442.db2.gz IUHRRXPQQBPLCW-GOSISDBHSA-N 0 0 386.414 4.002 40 0 GIABRN CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1 ZINC000408736571 528076077 /nfs/dbraw/zinc/07/60/77/528076077.db2.gz CVFKWSOKPWCYEX-FQEVSTJZSA-N 0 0 379.460 4.100 40 0 GIABRN CCCN1C(=O)N/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O ZINC000409234712 528174592 /nfs/dbraw/zinc/17/45/92/528174592.db2.gz XOKJBOIAGJCBSD-UVTDQMKNSA-N 0 0 375.222 4.012 40 0 GIABRN CCCCCN1C(=O)S/C(=C\c2cc3c(cc2Br)OCO3)C1=O ZINC000409214363 528183656 /nfs/dbraw/zinc/18/36/56/528183656.db2.gz UUBXOVAGLIOCCW-AUWJEWJLSA-N 0 0 398.278 4.404 40 0 GIABRN CCCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000408547269 528214100 /nfs/dbraw/zinc/21/41/00/528214100.db2.gz YBWINCOEHCRYNZ-UHFFFAOYSA-N 0 0 388.533 4.333 40 0 GIABRN CC(C)Oc1ccccc1C=C1SC(=O)N(CC(=O)c2ccccc2)C1=O ZINC000409334988 528244273 /nfs/dbraw/zinc/24/42/73/528244273.db2.gz YFXGZGZXDOYCJB-UNOMPAQXSA-N 0 0 381.453 4.393 40 0 GIABRN CC1CCN(c2ccc(NC(=S)NC(=O)c3ccco3)cc2Cl)CC1 ZINC000408627976 528268275 /nfs/dbraw/zinc/26/82/75/528268275.db2.gz OWVPNPHPGRSGRA-UHFFFAOYSA-N 0 0 377.897 4.296 40 0 GIABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 ZINC000006386282 528391875 /nfs/dbraw/zinc/39/18/75/528391875.db2.gz NMNOUIKUIKZHKB-UHFFFAOYSA-N 0 0 399.516 4.051 40 0 GIABRN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)c(OC)c(C)c3)N(C)C2=S)cc1 ZINC000409043043 528482580 /nfs/dbraw/zinc/48/25/80/528482580.db2.gz ZBSXBBKXFVTQBX-UYRXBGFRSA-N 0 0 396.512 4.315 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2cc(C)cc(C)c2)cc1 ZINC000017078541 528565538 /nfs/dbraw/zinc/56/55/38/528565538.db2.gz XVAGTLDLFHTHKS-UHFFFAOYSA-N 0 0 384.501 4.387 40 0 GIABRN CCCOC(=O)c1cc(NC(=O)CSc2ccccc2N)ccc1Cl ZINC000408599668 528579691 /nfs/dbraw/zinc/57/96/91/528579691.db2.gz IZFUJFOAVBLQJN-UHFFFAOYSA-N 0 0 378.881 4.220 40 0 GIABRN CCCCOc1cccc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000006778586 528691383 /nfs/dbraw/zinc/69/13/83/528691383.db2.gz DTXMMERVYWONJH-UHFFFAOYSA-N 0 0 386.561 4.439 40 0 GIABRN CCOc1ccccc1N1C[C@H](C(=O)Oc2ccc3ccccc3c2)CC1=O ZINC000408671208 528738148 /nfs/dbraw/zinc/73/81/48/528738148.db2.gz TUILHBKERXZUPU-GOSISDBHSA-N 0 0 375.424 4.197 40 0 GIABRN CCCCc1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1C ZINC000408560216 529055135 /nfs/dbraw/zinc/05/51/35/529055135.db2.gz FALOTDFDWWVDCY-UHFFFAOYSA-N 0 0 387.534 4.012 40 0 GIABRN CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1C ZINC000409001522 529103056 /nfs/dbraw/zinc/10/30/56/529103056.db2.gz IVYHXCGOAKDAPF-LJQANCHMSA-N 0 0 399.878 4.426 40 0 GIABRN CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(C)ccc1OC ZINC000409004091 529217675 /nfs/dbraw/zinc/21/76/75/529217675.db2.gz WNMSGDSQHCIBLT-OXJNMPFZSA-N 0 0 384.476 4.283 40 0 GIABRN CCCc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC[C@@H](O)C4)cc3)cc2c1 ZINC000013563076 535426949 /nfs/dbraw/zinc/42/69/49/535426949.db2.gz WGUVLYWBKUMLNP-JOCHJYFZSA-N 0 0 391.515 4.054 40 0 GIABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCN1CCCc2ccccc21 ZINC000219335964 536044593 /nfs/dbraw/zinc/04/45/93/536044593.db2.gz OLIAVUDIRRWJKB-QHCPKHFHSA-N 0 0 380.532 4.420 40 0 GIABRN O=C([O-])C[C@@H]1CC[N@@H+](C2CCC(F)(F)CC2)C[C@@H]1Cc1nc2ccccc2[nH]1 ZINC000514288884 560033732 /nfs/dbraw/zinc/03/37/32/560033732.db2.gz GOMHTPLPWCVBEK-GJZGRUSLSA-N 0 0 391.462 4.096 40 0 biogenic,in-vitro GIABRN CN(C)c1ccc(-c2noc([C@@H]3CCCN3Cc3cc4ccccc4o3)n2)cn1 ZINC000035426295 560080716 /nfs/dbraw/zinc/08/07/16/560080716.db2.gz FZSLWJJPUWRKOV-SFHVURJKSA-N 0 0 389.459 4.281 40 0 biogenic,in-vitro GIABRN CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)C(C)(C)C)C2)cc1 ZINC000004237193 560197753 /nfs/dbraw/zinc/19/77/53/560197753.db2.gz FPOFJMRNLNCCIC-DOTOQJQBSA-N 0 0 396.556 4.229 40 0 biogenic,in-vitro GIABRN Cc1ccc(-c2csnn2)cc1NC(=O)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000019718990 570210241 /nfs/dbraw/zinc/21/02/41/570210241.db2.gz WFPVOVOLGGARKN-UHFFFAOYSA-N 0 0 383.864 4.224 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(C2CC2)n1 ZINC000329012058 570212007 /nfs/dbraw/zinc/21/20/07/570212007.db2.gz MIELKSRGWRIELM-OAHLLOKOSA-N 0 0 398.404 4.106 40 0 GIABRN Fc1ccc(CNc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)cc1 ZINC000329011523 570212326 /nfs/dbraw/zinc/21/23/26/570212326.db2.gz MGJWVJYCKFPKPG-UHFFFAOYSA-N 0 0 376.479 4.483 40 0 GIABRN Cc1cc(C)c(Nc2cc(-c3cccnc3)nc(N[C@@H](CO)C(C)C)n2)c(C)c1 ZINC000329019347 570212968 /nfs/dbraw/zinc/21/29/68/570212968.db2.gz NWIJLKYUJPTUEW-FQEVSTJZSA-N 0 0 391.519 4.058 40 0 GIABRN Cc1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCC3)n2)c(Cl)c1 ZINC000329021756 570213307 /nfs/dbraw/zinc/21/33/07/570213307.db2.gz OIRJOFNISKIRHF-UHFFFAOYSA-N 0 0 379.895 4.442 40 0 GIABRN CC(C)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2cccnc2)n1 ZINC000329022593 570213389 /nfs/dbraw/zinc/21/33/89/570213389.db2.gz ONINXELKKPSOMV-UHFFFAOYSA-N 0 0 391.372 4.104 40 0 GIABRN Cn1cc(-c2cnc(-c3ccccc3)nc2)cc1C(=O)NCCc1ccccc1 ZINC000096147625 570214051 /nfs/dbraw/zinc/21/40/51/570214051.db2.gz DKUHPGNSYQXNET-UHFFFAOYSA-N 0 0 382.467 4.122 40 0 GIABRN Cc1c(Br)cccc1Nc1cc(Cl)nc(-c2ccccn2)n1 ZINC000329043146 570214978 /nfs/dbraw/zinc/21/49/78/570214978.db2.gz SRWFXMQDOZWBDM-UHFFFAOYSA-N 0 0 375.657 4.428 40 0 GIABRN Brc1ccc2c(c1)CCN(c1cc(NCc3ccccc3)ncn1)C2 ZINC000329068289 570216468 /nfs/dbraw/zinc/21/64/68/570216468.db2.gz YONXAHDEPMEIDG-UHFFFAOYSA-N 0 0 395.304 4.414 40 0 GIABRN Cc1c(Nc2cc(-c3ccncc3)nc(NC(C)C)n2)cccc1C(F)(F)F ZINC000329070265 570216701 /nfs/dbraw/zinc/21/67/01/570216701.db2.gz ZFQKKSKSWLHRBK-UHFFFAOYSA-N 0 0 387.409 4.274 40 0 GIABRN Cc1c(C(=O)Nc2cccc(Cl)c2)nnc2c(-c3ccc(F)cc3)cnn21 ZINC000019817139 570221537 /nfs/dbraw/zinc/22/15/37/570221537.db2.gz XMFWBVJGHDEPIZ-UHFFFAOYSA-N 0 0 381.798 4.145 40 0 GIABRN CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)C3CCCC3)CC2)c2ccccc21 ZINC000096242366 570222640 /nfs/dbraw/zinc/22/26/40/570222640.db2.gz CNWWUSXILFPXJY-FQEVSTJZSA-N 0 0 396.575 4.483 40 0 GIABRN Cc1ccsc1C(=O)N1CCc2nc(-c3ccc(F)cc3)nc(C)c2CC1 ZINC000096254741 570225050 /nfs/dbraw/zinc/22/50/50/570225050.db2.gz BDYBEBSKNCWEJJ-UHFFFAOYSA-N 0 0 381.476 4.202 40 0 GIABRN COc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1 ZINC000205622810 570226442 /nfs/dbraw/zinc/22/64/42/570226442.db2.gz DJCAFHIOZFVMJF-RGEXLXHISA-N 0 0 392.480 4.475 40 0 GIABRN CC(C)N1c2sc(-c3ccsc3)nc2C[C@H]1C(=O)N(C)Cc1ccccn1 ZINC000096264477 570226960 /nfs/dbraw/zinc/22/69/60/570226960.db2.gz WCPGGBYTTICXKN-KRWDZBQOSA-N 0 0 398.557 4.065 40 0 GIABRN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1ncnc2sc3c(c21)CCCC3 ZINC000000886406 570228205 /nfs/dbraw/zinc/22/82/05/570228205.db2.gz NWBLDMSIYMSGCA-BETUJISGSA-N 0 0 375.563 4.452 40 0 GIABRN COc1ccccc1-c1nnc(CSc2n[nH]c(-c3cccc(C)c3)n2)o1 ZINC000019927581 570229957 /nfs/dbraw/zinc/22/99/57/570229957.db2.gz YQDDSBXGAQOXMU-UHFFFAOYSA-N 0 0 379.445 4.131 40 0 GIABRN Cc1ccc(OCc2nnc(SCC(=O)N(C)c3ccccc3)o2)cc1C ZINC000019928076 570230048 /nfs/dbraw/zinc/23/00/48/570230048.db2.gz LIPZJMHIDHDHAS-UHFFFAOYSA-N 0 0 383.473 4.021 40 0 GIABRN COc1ccccc1-c1nnc(CSc2nnc(Cc3ccccc3)o2)o1 ZINC000019929042 570230522 /nfs/dbraw/zinc/23/05/22/570230522.db2.gz OMSFCYWQXSYIRO-UHFFFAOYSA-N 0 0 380.429 4.011 40 0 GIABRN Cc1cccnc1CN1CCC[C@H]1c1csc(NC(=O)c2ccccc2)n1 ZINC000585268804 570235128 /nfs/dbraw/zinc/23/51/28/570235128.db2.gz XLIXNLSUKWMQOT-IBGZPJMESA-N 0 0 378.501 4.436 40 0 GIABRN COc1ccccc1CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000020038528 570236550 /nfs/dbraw/zinc/23/65/50/570236550.db2.gz JMVZCTKFXGDTKD-UHFFFAOYSA-N 0 0 397.496 4.399 40 0 GIABRN COc1ccc(S[C@@H](C)C(=O)NCCSCc2ccccc2F)cc1 ZINC000020048878 570237804 /nfs/dbraw/zinc/23/78/04/570237804.db2.gz NUONKIVBOUQTIE-AWEZNQCLSA-N 0 0 379.522 4.365 40 0 GIABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 ZINC000020049878 570238067 /nfs/dbraw/zinc/23/80/67/570238067.db2.gz XAGBRFZIJRUOGE-HSZRJFAPSA-N 0 0 396.531 4.045 40 0 GIABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 ZINC000020050484 570238102 /nfs/dbraw/zinc/23/81/02/570238102.db2.gz VVVLJGAOHNMIAM-LIRRHRJNSA-N 0 0 377.868 4.090 40 0 GIABRN COc1ccc(SCC(=O)NCCSc2ccc(Cl)cc2)cc1OC ZINC000020107199 570239940 /nfs/dbraw/zinc/23/99/40/570239940.db2.gz BRVXVYIYOKDNGV-UHFFFAOYSA-N 0 0 397.949 4.358 40 0 GIABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000020112277 570240919 /nfs/dbraw/zinc/24/09/19/570240919.db2.gz CEPDALXZKYCMAE-FQEVSTJZSA-N 0 0 379.456 4.331 40 0 GIABRN COc1ccc(NC(=O)COc2ccc(C)cc2C)cc1-c1ccc(CO)o1 ZINC000020144054 570243339 /nfs/dbraw/zinc/24/33/39/570243339.db2.gz HKYSBHLTPMQHQX-UHFFFAOYSA-N 0 0 381.428 4.082 40 0 GIABRN O=C(COc1ccccc1F)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 ZINC000020144625 570243701 /nfs/dbraw/zinc/24/37/01/570243701.db2.gz PVYDVQGICZUKGM-UHFFFAOYSA-N 0 0 375.783 4.249 40 0 GIABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccccc1Cl ZINC000020144577 570243787 /nfs/dbraw/zinc/24/37/87/570243787.db2.gz WOSVZERQTHVUCC-UHFFFAOYSA-N 0 0 387.819 4.118 40 0 GIABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1C ZINC000020152133 570244830 /nfs/dbraw/zinc/24/48/30/570244830.db2.gz JNEQMMBJRZQSQJ-UHFFFAOYSA-N 0 0 394.496 4.491 40 0 GIABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 ZINC000020459075 570259884 /nfs/dbraw/zinc/25/98/84/570259884.db2.gz YURYRBPOAWEKGR-INIZCTEOSA-N 0 0 396.487 4.164 40 0 GIABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000020459063 570259909 /nfs/dbraw/zinc/25/99/09/570259909.db2.gz DHIMXTGQVYKKGM-HSZRJFAPSA-N 0 0 385.467 4.499 40 0 GIABRN Cc1nc(Nc2nccs2)cc([C@H]2CCN(C(=O)/C=C/c3ccccc3)C2)n1 ZINC000585291663 570260311 /nfs/dbraw/zinc/26/03/11/570260311.db2.gz DWVJDXQMZXFUAS-OZSKJFCKSA-N 0 0 391.500 4.014 40 0 GIABRN O=C(CSCc1ccc(F)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020460505 570260743 /nfs/dbraw/zinc/26/07/43/570260743.db2.gz YJBOUFUPDOQYQQ-UHFFFAOYSA-N 0 0 378.900 4.061 40 0 GIABRN CCOc1ccc(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1OCC ZINC000020491503 570263000 /nfs/dbraw/zinc/26/30/00/570263000.db2.gz DXEMXRZFGYWDDJ-UHFFFAOYSA-N 0 0 396.487 4.182 40 0 GIABRN CCCc1nnc2sc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nn12 ZINC000020609628 570271808 /nfs/dbraw/zinc/27/18/08/570271808.db2.gz YFGUNPJRVFVUTC-UHFFFAOYSA-N 0 0 381.436 4.197 40 0 GIABRN CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)CC2CCCCC2)c2ccccn2)CC1 ZINC000100750304 570276685 /nfs/dbraw/zinc/27/66/85/570276685.db2.gz AYOYDJFIOIRELM-ZRCGQRJVSA-N 0 0 385.552 4.152 40 0 GIABRN CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)CC2CCCCC2)c2ccccn2)CC1 ZINC000100750305 570276687 /nfs/dbraw/zinc/27/66/87/570276687.db2.gz AYOYDJFIOIRELM-MZKRTTBSSA-N 0 0 385.552 4.152 40 0 GIABRN Cc1ccnn1C[C@H](C)c1cc(=O)n2nc(-c3cccc(Cl)c3)c(C)c2[nH]1 ZINC000100775519 570277800 /nfs/dbraw/zinc/27/78/00/570277800.db2.gz LPQHGSRVHJZOEL-LBPRGKRZSA-N 0 0 381.867 4.372 40 0 GIABRN COc1ccc(-c2nn3c([nH]c(CSc4ccccn4)cc3=O)c2C)cc1 ZINC000100776358 570278004 /nfs/dbraw/zinc/27/80/04/570278004.db2.gz HORYCPAHPFRKHF-UHFFFAOYSA-N 0 0 378.457 4.106 40 0 GIABRN CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2cccc(Br)c2)CC1 ZINC000100809772 570278202 /nfs/dbraw/zinc/27/82/02/570278202.db2.gz WEQADRHWUUVPOK-GASCZTMLSA-N 0 0 397.313 4.015 40 0 GIABRN O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000020611969 570280867 /nfs/dbraw/zinc/28/08/67/570280867.db2.gz QSHGGTNPWZCKNB-UHFFFAOYSA-N 0 0 377.271 4.484 40 0 GIABRN COc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@H]4CCC[C@@H]4[C@@H]3C2=O)c1 ZINC000102977547 570293711 /nfs/dbraw/zinc/29/37/11/570293711.db2.gz OHMBYDILZVAUPW-LRGYGIHKSA-N 0 0 386.451 4.347 40 0 GIABRN CCOc1ccc(N(CC(=O)c2ccc(OC)c(OC)c2)C2=NCCCC2)cc1 ZINC000006870345 570294690 /nfs/dbraw/zinc/29/46/90/570294690.db2.gz MWPQMXGASPKSIW-UHFFFAOYSA-N 0 0 396.487 4.374 40 0 GIABRN CC(C)c1ccccc1O[C@H](C)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000216356916 570299764 /nfs/dbraw/zinc/29/97/64/570299764.db2.gz BGSRTLRXOPXVEK-VZOQVYJPSA-N 0 0 392.543 4.435 40 0 GIABRN COc1cccc(CCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000216460306 570302065 /nfs/dbraw/zinc/30/20/65/570302065.db2.gz BFNBUJFKRUCJSC-UHFFFAOYSA-N 0 0 397.496 4.399 40 0 GIABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)CC(C)C ZINC000021580198 570306289 /nfs/dbraw/zinc/30/62/89/570306289.db2.gz WXKYJJFDMGGRQD-UHFFFAOYSA-N 0 0 382.489 4.098 40 0 GIABRN CCn1cc(C(=O)Nc2ccc(OC)cc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236822 570309581 /nfs/dbraw/zinc/30/95/81/570309581.db2.gz BXYGDFYYOUGDEQ-UHFFFAOYSA-N 0 0 390.361 4.301 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2Br)cc1 ZINC000072211648 570313740 /nfs/dbraw/zinc/31/37/40/570313740.db2.gz XQBMOJZQMQZODW-INIZCTEOSA-N 0 0 395.322 4.068 40 0 GIABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(OC)cc1 ZINC000022518239 570319727 /nfs/dbraw/zinc/31/97/27/570319727.db2.gz FSISBXCLCBLGTD-LSDHHAIUSA-N 0 0 386.517 4.343 40 0 GIABRN Cc1cc(C)n(Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2)n1 ZINC000109475791 570320662 /nfs/dbraw/zinc/32/06/62/570320662.db2.gz IHNPUCYQLHCYOS-UHFFFAOYSA-N 0 0 387.405 4.497 40 0 GIABRN O=C1C[C@@H](N2CCc3c4ccccc4[nH]c3C2)C(=O)N1c1cccc2ccccc21 ZINC000022607591 570322922 /nfs/dbraw/zinc/32/29/22/570322922.db2.gz QAFFQWOMFBUVQA-HSZRJFAPSA-N 0 0 395.462 4.011 40 0 GIABRN Cc1cccc(NC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 ZINC000113966041 570337385 /nfs/dbraw/zinc/33/73/85/570337385.db2.gz LNDAPBGZFMVRQL-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN CC(C)Oc1cccc(NC(=O)c2ccc(I)cc2)c1 ZINC000408574044 570341840 /nfs/dbraw/zinc/34/18/40/570341840.db2.gz HQZGQGXCOKANKW-UHFFFAOYSA-N 0 0 381.213 4.331 40 0 GIABRN CCc1ccc(OCC(=O)NCCCc2ccc(F)cc2)c(Br)c1 ZINC000218864076 570342398 /nfs/dbraw/zinc/34/23/98/570342398.db2.gz AJZNEEYXWVNCDB-UHFFFAOYSA-N 0 0 394.284 4.278 40 0 GIABRN CCc1ccc(OCC(=O)NCCCc2ccccc2)c(Br)c1 ZINC000218864815 570342503 /nfs/dbraw/zinc/34/25/03/570342503.db2.gz SEEYWBHIEOVQIY-UHFFFAOYSA-N 0 0 376.294 4.139 40 0 GIABRN Cc1c(Cl)cccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000003554154 570348138 /nfs/dbraw/zinc/34/81/38/570348138.db2.gz XVIDSQXJWVGRBM-UHFFFAOYSA-N 0 0 392.908 4.075 40 0 GIABRN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(OC2CCCC2)cc1 ZINC000219137705 570348406 /nfs/dbraw/zinc/34/84/06/570348406.db2.gz KAFHQBZCZSTDMZ-UHFFFAOYSA-N 0 0 392.455 4.023 40 0 GIABRN CC(C)c1ccc(CCCNC(=O)c2cccc(CN3CCOCC3)c2)cc1 ZINC000219249471 570350294 /nfs/dbraw/zinc/35/02/94/570350294.db2.gz KPGSAQVDIAADOE-UHFFFAOYSA-N 0 0 380.532 4.005 40 0 GIABRN CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccc(C)cc1C ZINC000219286889 570351069 /nfs/dbraw/zinc/35/10/69/570351069.db2.gz IHSWQGXPSLNRKE-GOSISDBHSA-N 0 0 394.924 4.209 40 0 GIABRN CCc1ccccc1O[C@@H](C)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000219297226 570351893 /nfs/dbraw/zinc/35/18/93/570351893.db2.gz NGBKLJVBKQWPDI-AWEZNQCLSA-N 0 0 399.878 4.378 40 0 GIABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219327870 570355106 /nfs/dbraw/zinc/35/51/06/570355106.db2.gz KHHGJNMYTPGXJN-RTBURBONSA-N 0 0 387.451 4.410 40 0 GIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)NCCCc1cccc(OC(C)C)c1 ZINC000219356285 570356595 /nfs/dbraw/zinc/35/65/95/570356595.db2.gz GLFLJWJFPYXKEU-QFIPXVFZSA-N 0 0 385.504 4.389 40 0 GIABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000219372249 570357214 /nfs/dbraw/zinc/35/72/14/570357214.db2.gz MFPGDRLHADPFAG-GOSISDBHSA-N 0 0 379.460 4.169 40 0 GIABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000219381937 570357802 /nfs/dbraw/zinc/35/78/02/570357802.db2.gz NWKIOELYZWYISF-IBGZPJMESA-N 0 0 393.487 4.478 40 0 GIABRN Cc1ccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c(C)c1 ZINC000219538586 570366412 /nfs/dbraw/zinc/36/64/12/570366412.db2.gz OCUITOAVVWRHOA-OAHLLOKOSA-N 0 0 399.878 4.433 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1cc(C)cc(C)c1 ZINC000219554769 570366766 /nfs/dbraw/zinc/36/67/66/570366766.db2.gz XRDCCPURYAQOAF-OAHLLOKOSA-N 0 0 385.489 4.231 40 0 GIABRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)[C@@H]([C@H](O)C(F)(F)F)C[C@@]43C)[C@@H]1CC[C@H]2O ZINC000118917781 570367626 /nfs/dbraw/zinc/36/76/26/570367626.db2.gz HTYHKJJOVXZDHV-RLNUVPHTSA-N 0 0 388.470 4.108 40 0 GIABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](N5CC5)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118924043 570368029 /nfs/dbraw/zinc/36/80/29/570368029.db2.gz LEWNLHKUUYCCDG-DMRDWKPJSA-N 0 0 399.575 4.380 40 0 GIABRN CC[C@@H](Oc1ccccc1F)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219581498 570369332 /nfs/dbraw/zinc/36/93/32/570369332.db2.gz ZZPPPSUHHGJIBB-ZWKOTPCHSA-N 0 0 387.451 4.410 40 0 GIABRN COc1cccc(CCN2CCOc3nc4c(C)ccc(C)c4cc3C2)c1OC ZINC000057718886 570370815 /nfs/dbraw/zinc/37/08/15/570370815.db2.gz OJMJKYDIVXLXRZ-UHFFFAOYSA-N 0 0 392.499 4.306 40 0 GIABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000219616113 570371328 /nfs/dbraw/zinc/37/13/28/570371328.db2.gz WSUXWVQTEXJTHE-KRWDZBQOSA-N 0 0 385.851 4.206 40 0 GIABRN C[C@H](Oc1ccc(Br)cc1)C(=O)NCCCc1ccc(F)cc1 ZINC000219681641 570372800 /nfs/dbraw/zinc/37/28/00/570372800.db2.gz IWYUTWCAPMZAKY-ZDUSSCGKSA-N 0 0 380.257 4.105 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000058058940 570375758 /nfs/dbraw/zinc/37/57/58/570375758.db2.gz BLRVXTFQLLNPLT-UHFFFAOYSA-N 0 0 386.860 4.393 40 0 GIABRN O=C(Sc1nnc(COc2ccccc2)o1)c1ccccc1Br ZINC000408625290 570376826 /nfs/dbraw/zinc/37/68/26/570376826.db2.gz XGYHUIBWNCSYGA-UHFFFAOYSA-N 0 0 391.246 4.344 40 0 GIABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cc(C)c(C)cc1O ZINC000408626093 570377408 /nfs/dbraw/zinc/37/74/08/570377408.db2.gz ZSJKXJOHSQIVBH-UHFFFAOYSA-N 0 0 399.299 4.451 40 0 GIABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(Cl)cc2)c(F)c1F ZINC000408626405 570378693 /nfs/dbraw/zinc/37/86/93/570378693.db2.gz HBJLOXWUBZZJTB-UHFFFAOYSA-N 0 0 392.761 4.032 40 0 GIABRN CC(C)(C)C(=O)NC(=S)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000408627610 570379987 /nfs/dbraw/zinc/37/99/87/570379987.db2.gz MITSFKMKMZCFRE-UHFFFAOYSA-N 0 0 389.908 4.451 40 0 GIABRN COc1cccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)c1 ZINC000408627740 570380181 /nfs/dbraw/zinc/38/01/81/570380181.db2.gz NJJZCQBUORLBOJ-UHFFFAOYSA-N 0 0 388.798 4.494 40 0 GIABRN Cc1cc(C)cc(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)c1 ZINC000408627688 570380210 /nfs/dbraw/zinc/38/02/10/570380210.db2.gz OTONNXSMRRJBTL-UHFFFAOYSA-N 0 0 392.480 4.118 40 0 GIABRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3cccc(C)c3)cc2Cl)CC1 ZINC000408629221 570381696 /nfs/dbraw/zinc/38/16/96/570381696.db2.gz QINUPQWGDRKKJY-UHFFFAOYSA-N 0 0 399.922 4.349 40 0 GIABRN CCCCc1ccc(NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000220134416 570382439 /nfs/dbraw/zinc/38/24/39/570382439.db2.gz KMBBJLSDWPVPJM-QGZVFWFLSA-N 0 0 388.533 4.131 40 0 GIABRN Cc1cccc(N([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)c1 ZINC000220133734 570382557 /nfs/dbraw/zinc/38/25/57/570382557.db2.gz SAIIHDNHUUVBMQ-KRWDZBQOSA-N 0 0 388.533 4.220 40 0 GIABRN Cc1cccc(NC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1C ZINC000220355980 570385539 /nfs/dbraw/zinc/38/55/39/570385539.db2.gz HGGXDTOJNLLOQO-HNNXBMFYSA-N 0 0 394.924 4.058 40 0 GIABRN O=C(NCc1nc(-c2cccs2)no1)c1cccc(OCc2ccccc2)c1 ZINC000024577348 570386170 /nfs/dbraw/zinc/38/61/70/570386170.db2.gz JDCBRONFXQUNJJ-UHFFFAOYSA-N 0 0 391.452 4.307 40 0 GIABRN CC[C@H](C(=O)Nc1cccc(Cl)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220559122 570388574 /nfs/dbraw/zinc/38/85/74/570388574.db2.gz OOYXUDVBIZNEQL-GOSISDBHSA-N 0 0 394.924 4.140 40 0 GIABRN CC[C@H](C(=O)NC1CCCCCCC1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220573479 570388816 /nfs/dbraw/zinc/38/88/16/570388816.db2.gz CMUQLSXZVIYWQF-HXUWFJFHSA-N 0 0 394.581 4.077 40 0 GIABRN COc1ccc(NC(=O)c2sc3nc(C(F)(F)F)cc(C)c3c2N)cc1 ZINC000032117793 570389639 /nfs/dbraw/zinc/38/96/39/570389639.db2.gz UGRSHJASDGBWIM-UHFFFAOYSA-N 0 0 381.379 4.467 40 0 GIABRN O=C([C@H]1COc2ccccc2O1)N(Cc1ccco1)Cc1cccc(Cl)c1 ZINC000032594222 570408775 /nfs/dbraw/zinc/40/87/75/570408775.db2.gz VALFIICGCFATCF-HXUWFJFHSA-N 0 0 383.831 4.302 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222442035 570410956 /nfs/dbraw/zinc/41/09/56/570410956.db2.gz AMSLBLYNMOOFJJ-AWEZNQCLSA-N 0 0 393.314 4.008 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1 ZINC000222454695 570411168 /nfs/dbraw/zinc/41/11/68/570411168.db2.gz QJARJGMNIYGYNW-JOCHJYFZSA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 ZINC000222458801 570411242 /nfs/dbraw/zinc/41/12/42/570411242.db2.gz KWXXXIDAXWSGQP-NRFANRHFSA-N 0 0 398.572 4.419 40 0 GIABRN CCc1cc2cc(OC)ccc2nc1SCC(=O)NCc1ccc(OC)cc1 ZINC000004849371 570412053 /nfs/dbraw/zinc/41/20/53/570412053.db2.gz PNMYUPHDXXTRKN-UHFFFAOYSA-N 0 0 396.512 4.223 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc21 ZINC000222485424 570412332 /nfs/dbraw/zinc/41/23/32/570412332.db2.gz VUPZQHGLKHSKMG-LJQANCHMSA-N 0 0 388.511 4.244 40 0 GIABRN CCc1cccc(CC)c1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl ZINC000222495930 570412615 /nfs/dbraw/zinc/41/26/15/570412615.db2.gz HYWVZRCDKGVNQU-UHFFFAOYSA-N 0 0 394.924 4.113 40 0 GIABRN CN(c1ccc(C(=O)Nc2cccc3ccccc32)c(Cl)c1)S(C)(=O)=O ZINC000222508515 570412937 /nfs/dbraw/zinc/41/29/37/570412937.db2.gz AXELQJAQSBMHBL-UHFFFAOYSA-N 0 0 388.876 4.141 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 ZINC000222623450 570417267 /nfs/dbraw/zinc/41/72/67/570417267.db2.gz RGPPKKKANGDWGS-AVRDEDQJSA-N 0 0 398.522 4.133 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000222640803 570418078 /nfs/dbraw/zinc/41/80/78/570418078.db2.gz IDTFUHNNVIZZHP-JOCHJYFZSA-N 0 0 398.522 4.317 40 0 GIABRN CCOc1cc2c(cc1[C@@H]1[C@H](c3ccccn3)N=C3SC[C@@H](CC)N31)OCO2 ZINC000222650782 570418714 /nfs/dbraw/zinc/41/87/14/570418714.db2.gz IURPESXPDIBJPM-CAYVGHNUSA-N 0 0 397.500 4.188 40 0 GIABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222656280 570419023 /nfs/dbraw/zinc/41/90/23/570419023.db2.gz IFEKVLAEINTKBM-INIZCTEOSA-N 0 0 386.923 4.215 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000222673730 570419882 /nfs/dbraw/zinc/41/98/82/570419882.db2.gz QJGZVSSWECFWTF-CQSZACIVSA-N 0 0 393.314 4.008 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000222673792 570420168 /nfs/dbraw/zinc/42/01/68/570420168.db2.gz QJGZVSSWECFWTF-AWEZNQCLSA-N 0 0 393.314 4.008 40 0 GIABRN CC[C@H](NC(=O)CCc1cccc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000222678876 570420508 /nfs/dbraw/zinc/42/05/08/570420508.db2.gz AEZJGPQLZMNFFS-QFIPXVFZSA-N 0 0 395.524 4.443 40 0 GIABRN O=C(CCc1ccccc1F)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000025987659 570421197 /nfs/dbraw/zinc/42/11/97/570421197.db2.gz OHHYGTTZTHHAJH-UHFFFAOYSA-N 0 0 390.458 4.370 40 0 GIABRN COc1ccccc1NC(=O)N1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2 ZINC000004888175 570421493 /nfs/dbraw/zinc/42/14/93/570421493.db2.gz HVVJCHPKRVFDDC-YQQQUEKLSA-N 0 0 393.487 4.043 40 0 GIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000222710996 570421772 /nfs/dbraw/zinc/42/17/72/570421772.db2.gz JNVQQJJNBXVOJN-CZUORRHYSA-N 0 0 375.852 4.146 40 0 GIABRN Cc1cccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222715766 570422183 /nfs/dbraw/zinc/42/21/83/570422183.db2.gz HDWMDDFHNQBEDN-IBGZPJMESA-N 0 0 380.532 4.260 40 0 GIABRN CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 ZINC000222739001 570423197 /nfs/dbraw/zinc/42/31/97/570423197.db2.gz YMVVGASDEOCSMD-MRXNPFEDSA-N 0 0 380.488 4.111 40 0 GIABRN CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC ZINC000222739938 570423210 /nfs/dbraw/zinc/42/32/10/570423210.db2.gz FZUKMVLGSMYKJC-SFHVURJKSA-N 0 0 393.314 4.089 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222748134 570423687 /nfs/dbraw/zinc/42/36/87/570423687.db2.gz XQXBPRHDUDXAIH-QGZVFWFLSA-N 0 0 384.495 4.009 40 0 GIABRN CCCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000222767895 570425072 /nfs/dbraw/zinc/42/50/72/570425072.db2.gz SHPNVMMUMYVYRZ-HXUWFJFHSA-N 0 0 380.532 4.343 40 0 GIABRN CCc1ccc(O[C@@H](CC)C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000222901532 570430800 /nfs/dbraw/zinc/43/08/00/570430800.db2.gz NJBQZYUKHAEINX-SFHVURJKSA-N 0 0 399.878 4.426 40 0 GIABRN CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000222911955 570431204 /nfs/dbraw/zinc/43/12/04/570431204.db2.gz OYCOGWONPZOUSA-HNNXBMFYSA-N 0 0 390.886 4.169 40 0 GIABRN CCCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000222922498 570431539 /nfs/dbraw/zinc/43/15/39/570431539.db2.gz GZOGJYSGQQVWQK-IBGZPJMESA-N 0 0 398.522 4.482 40 0 GIABRN CCCCCn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21 ZINC000005235732 570432135 /nfs/dbraw/zinc/43/21/35/570432135.db2.gz SLKJWPVSBHELFP-UHFFFAOYSA-N 0 0 379.504 4.354 40 0 GIABRN COc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 ZINC000005244208 570432452 /nfs/dbraw/zinc/43/24/52/570432452.db2.gz MDVUVXOERDAULP-UHFFFAOYSA-N 0 0 394.393 4.332 40 0 GIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 ZINC000222948368 570432589 /nfs/dbraw/zinc/43/25/89/570432589.db2.gz VWKBYSUYVMBKEC-IBGZPJMESA-N 0 0 398.572 4.421 40 0 GIABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCC2)c1C ZINC000223004726 570436687 /nfs/dbraw/zinc/43/66/87/570436687.db2.gz AWXKHRQBDYWURA-NHCUHLMSSA-N 0 0 398.576 4.234 40 0 GIABRN CCc1cc(Br)ccc1NC(=O)COC(=O)c1cccc(C)c1 ZINC000007939999 570437089 /nfs/dbraw/zinc/43/70/89/570437089.db2.gz OOWIHYIRCWDVTN-UHFFFAOYSA-N 0 0 376.250 4.115 40 0 GIABRN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)o2)cc1 ZINC000005391840 570437289 /nfs/dbraw/zinc/43/72/89/570437289.db2.gz PKBAGGVOKKCTLY-UHFFFAOYSA-N 0 0 387.848 4.323 40 0 GIABRN Cc1cccc(C(=O)OCC(=O)Nc2cc(C)c(Br)cc2C)c1 ZINC000007940001 570437275 /nfs/dbraw/zinc/43/72/75/570437275.db2.gz PDCVGNUYZACTJF-UHFFFAOYSA-N 0 0 376.250 4.170 40 0 GIABRN CC[C@@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000223019212 570437502 /nfs/dbraw/zinc/43/75/02/570437502.db2.gz HEMWXAQKFFPUHF-XMMPIXPASA-N 0 0 392.543 4.279 40 0 GIABRN CCc1ccccc1NC(=O)CSc1nnc(-c2cc(OC)cc(OC)c2)o1 ZINC000005435523 570439388 /nfs/dbraw/zinc/43/93/88/570439388.db2.gz JIPAQRNITTVNDW-UHFFFAOYSA-N 0 0 399.472 4.047 40 0 GIABRN O=C(Nc1cccc(Cl)c1Cl)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000223043450 570439520 /nfs/dbraw/zinc/43/95/20/570439520.db2.gz DKLVQLWYTIYKEJ-UHFFFAOYSA-N 0 0 394.283 4.194 40 0 GIABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 ZINC000223047535 570439868 /nfs/dbraw/zinc/43/98/68/570439868.db2.gz MZDTYKZBCXBAHA-PMACEKPBSA-N 0 0 384.549 4.007 40 0 GIABRN CCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCC(C)C ZINC000223052973 570440287 /nfs/dbraw/zinc/44/02/87/570440287.db2.gz HYPBZQOWYSXDBU-JOCHJYFZSA-N 0 0 380.532 4.199 40 0 GIABRN CSc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1NC(=O)C(C)C ZINC000223066689 570441250 /nfs/dbraw/zinc/44/12/50/570441250.db2.gz RSKKNWQJFVFDTB-UHFFFAOYSA-N 0 0 378.519 4.112 40 0 GIABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 ZINC000223075430 570441549 /nfs/dbraw/zinc/44/15/49/570441549.db2.gz VWXSGIOGDZDDDU-PMACEKPBSA-N 0 0 384.549 4.007 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 ZINC000223096910 570443332 /nfs/dbraw/zinc/44/33/32/570443332.db2.gz UFWFCNJOOXDJKL-HXUWFJFHSA-N 0 0 380.532 4.261 40 0 GIABRN Cc1ccc(N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1C ZINC000005521771 570444486 /nfs/dbraw/zinc/44/44/86/570444486.db2.gz BLAFRYFJRVAEIR-UHFFFAOYSA-N 0 0 386.561 4.048 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1 ZINC000223140126 570446330 /nfs/dbraw/zinc/44/63/30/570446330.db2.gz GJBDFBCUHKGNSM-HXUWFJFHSA-N 0 0 396.531 4.016 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 ZINC000223144171 570446746 /nfs/dbraw/zinc/44/67/46/570446746.db2.gz RVJWNVSDRMZLKK-QGZVFWFLSA-N 0 0 386.923 4.216 40 0 GIABRN CC[NH+](CC)CCOC(=O)[C@@](O)(c1ccccc1)c1c(C)c(C)c(C)c(C)c1C ZINC000005572722 570446790 /nfs/dbraw/zinc/44/67/90/570446790.db2.gz OYTXCXGMLNKVGP-RUZDIDTESA-N 0 0 397.559 4.350 40 0 GIABRN O=C1Nc2cc(Br)cnc2OC1(c1ccccc1)c1ccccc1 ZINC000005589574 570447829 /nfs/dbraw/zinc/44/78/29/570447829.db2.gz ANELWYMAVBGVMX-UHFFFAOYSA-N 0 0 381.229 4.119 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 ZINC000223225038 570450913 /nfs/dbraw/zinc/45/09/13/570450913.db2.gz DPHHNDDBZQBAJN-OAQYLSRUSA-N 0 0 380.532 4.260 40 0 GIABRN C[C@H](NS(=O)(=O)Cc1cccc(Br)c1)c1ccc2c(c1)CCC2 ZINC000223247522 570452859 /nfs/dbraw/zinc/45/28/59/570452859.db2.gz PKAKNDXSNKMFPO-ZDUSSCGKSA-N 0 0 394.334 4.118 40 0 GIABRN CCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cccnc1 ZINC000035289510 570454679 /nfs/dbraw/zinc/45/46/79/570454679.db2.gz QPWXHNSQFDTNOJ-UHFFFAOYSA-N 0 0 395.532 4.406 40 0 GIABRN CC(C)c1ccc2[nH]c3nc(SCC(=O)NC4CCCCC4)nnc3c2c1 ZINC000035289672 570455048 /nfs/dbraw/zinc/45/50/48/570455048.db2.gz CTWUDMWCXVPFRO-UHFFFAOYSA-N 0 0 383.521 4.171 40 0 GIABRN COC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 ZINC000223301512 570457192 /nfs/dbraw/zinc/45/71/92/570457192.db2.gz YGYIRXFRLWGXQO-UHFFFAOYSA-N 0 0 391.489 4.023 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F ZINC000223314338 570458147 /nfs/dbraw/zinc/45/81/47/570458147.db2.gz DSETYFINIKTFIA-OAQYLSRUSA-N 0 0 398.522 4.399 40 0 GIABRN CCOc1ccc(S(=O)(=O)N[C@H]2CC(CC)(CC)Oc3ccccc32)cc1 ZINC000223335675 570459467 /nfs/dbraw/zinc/45/94/67/570459467.db2.gz VIGJDRJLTVEACD-IBGZPJMESA-N 0 0 389.517 4.446 40 0 GIABRN Cc1cc(C)cc(OCCn2cc(/C=C3\SC(=N)NC3=O)c3ccccc32)c1 ZINC000005894549 570460636 /nfs/dbraw/zinc/46/06/36/570460636.db2.gz KPURGHIADHFZTM-NDENLUEZSA-N 0 0 391.496 4.476 40 0 GIABRN CC(=O)Nc1ccc(NC(=O)CSc2nc(C(C)C)nc3ccccc32)cc1 ZINC000035292070 570461635 /nfs/dbraw/zinc/46/16/35/570461635.db2.gz GKCKSCZRRVNJKS-UHFFFAOYSA-N 0 0 394.500 4.442 40 0 GIABRN CN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O ZINC000008091598 570462441 /nfs/dbraw/zinc/46/24/41/570462441.db2.gz SZNFDSDXETXAMY-CXUHLZMHSA-N 0 0 377.227 4.095 40 0 GIABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)[nH]c2C)cc1 ZINC000223410478 570465018 /nfs/dbraw/zinc/46/50/18/570465018.db2.gz RUGQFCYESKAUOI-RTWAWAEBSA-N 0 0 392.528 4.208 40 0 GIABRN CCC(=O)Nc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)s1 ZINC000035310831 570465606 /nfs/dbraw/zinc/46/56/06/570465606.db2.gz WQCSLBIBVSQESJ-UHFFFAOYSA-N 0 0 398.513 4.284 40 0 GIABRN CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1cccnc1 ZINC000223469009 570467392 /nfs/dbraw/zinc/46/73/92/570467392.db2.gz HXPQUBRPQSEEIO-VQTJNVASSA-N 0 0 377.517 4.032 40 0 GIABRN CCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000223477582 570467774 /nfs/dbraw/zinc/46/77/74/570467774.db2.gz HXHXIHXKHXTPAF-QFIPXVFZSA-N 0 0 394.446 4.215 40 0 GIABRN O=C(NC1C[C@H]2CCC[C@@H](C1)N2C(=O)Nc1ccccc1F)c1cccc(F)c1 ZINC000035312803 570467840 /nfs/dbraw/zinc/46/78/40/570467840.db2.gz NLTVDPJNCVOXFG-AYHJJNSGSA-N 0 0 399.441 4.312 40 0 GIABRN Cc1c(Cl)cccc1S(=O)(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000035313911 570468103 /nfs/dbraw/zinc/46/81/03/570468103.db2.gz ZUAIBUXHQNKFGI-UHFFFAOYSA-N 0 0 390.892 4.358 40 0 GIABRN CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccncc1 ZINC000223505297 570469030 /nfs/dbraw/zinc/46/90/30/570469030.db2.gz ATMNTQKZVKBPQK-PMACEKPBSA-N 0 0 377.517 4.032 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 ZINC000223550312 570470636 /nfs/dbraw/zinc/47/06/36/570470636.db2.gz LHHBHTOVHSNUTQ-GOSISDBHSA-N 0 0 384.545 4.031 40 0 GIABRN CC[C@@H](Oc1ccccc1OC)C(=O)NCCOc1cccc2ccccc21 ZINC000223556513 570471198 /nfs/dbraw/zinc/47/11/98/570471198.db2.gz VPPGCVQWKBWTOX-LJQANCHMSA-N 0 0 379.456 4.201 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 ZINC000223578988 570472399 /nfs/dbraw/zinc/47/23/99/570472399.db2.gz XQILWWHENWIPRI-HXUWFJFHSA-N 0 0 396.531 4.016 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(CC)cc1 ZINC000223585806 570472679 /nfs/dbraw/zinc/47/26/79/570472679.db2.gz IOHPIAQZRTWZSI-LJQANCHMSA-N 0 0 380.532 4.043 40 0 GIABRN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(I)cc1 ZINC000006241671 570473511 /nfs/dbraw/zinc/47/35/11/570473511.db2.gz PIWBNOFVCGJXFP-UHFFFAOYSA-N 0 0 375.568 4.336 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C ZINC000223680716 570478365 /nfs/dbraw/zinc/47/83/65/570478365.db2.gz BLRNXTATVNVTGL-LJQANCHMSA-N 0 0 396.531 4.051 40 0 GIABRN CCOC(=O)[C@@](NC(=O)OCc1ccccc1)(OCc1ccccc1)C(C)C ZINC000006403403 570479085 /nfs/dbraw/zinc/47/90/85/570479085.db2.gz WWBOXHNDGMYILS-QFIPXVFZSA-N 0 0 385.460 4.045 40 0 GIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000223702297 570479805 /nfs/dbraw/zinc/47/98/05/570479805.db2.gz MDYXQTNORUKVJZ-OAQYLSRUSA-N 0 0 381.472 4.457 40 0 GIABRN O=C(CSc1ncnc2sc3c(c21)CCCC3)NCc1cccs1 ZINC000000781894 570480265 /nfs/dbraw/zinc/48/02/65/570480265.db2.gz SQJODCHFFWGUIF-UHFFFAOYSA-N 0 0 375.544 4.040 40 0 GIABRN CC(=O)Nc1ccc2nc(NC(=O)COc3cc(C)c(Cl)c(C)c3)oc2c1 ZINC000006471198 570481034 /nfs/dbraw/zinc/48/10/34/570481034.db2.gz ZNBJHAZDKRULQU-UHFFFAOYSA-N 0 0 387.823 4.074 40 0 GIABRN Cc1ccc([S@](=O)c2ccccc2C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000006487947 570481650 /nfs/dbraw/zinc/48/16/50/570481650.db2.gz IGQMMEKBLNTIMZ-RUZDIDTESA-N 0 0 382.325 4.474 40 0 GIABRN CC(C)(C)c1ccc(CCC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 ZINC000029882731 570481829 /nfs/dbraw/zinc/48/18/29/570481829.db2.gz QRLYBMHEKGMPPP-UHFFFAOYSA-N 0 0 394.559 4.065 40 0 GIABRN COC(=O)c1ccc(C)c(NC(=O)CSCc2ccc(Cl)cc2F)c1 ZINC000223738247 570482189 /nfs/dbraw/zinc/48/21/89/570482189.db2.gz YIEOYDWHWVNLIR-UHFFFAOYSA-N 0 0 381.856 4.446 40 0 GIABRN Cc1ccc(C)c(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223748722 570483133 /nfs/dbraw/zinc/48/31/33/570483133.db2.gz FMEFMYKFEAWYEV-HXUWFJFHSA-N 0 0 392.543 4.322 40 0 GIABRN COc1ccc(SCC(=O)Nc2ccc(I)cc2)cc1 ZINC000006539849 570483202 /nfs/dbraw/zinc/48/32/02/570483202.db2.gz MNTVGOYDPNYVCX-UHFFFAOYSA-N 0 0 399.253 4.031 40 0 GIABRN Cc1ccccc1CN(C(=O)Cc1ccccc1)[C@@H](C)C(=O)NC1CCCC1 ZINC000223757428 570483518 /nfs/dbraw/zinc/48/35/18/570483518.db2.gz DMRDRQLXUBBTKF-IBGZPJMESA-N 0 0 378.516 4.014 40 0 GIABRN CCCCOc1ccc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)cc1 ZINC000006592582 570484373 /nfs/dbraw/zinc/48/43/73/570484373.db2.gz JAYVKXAITUXUQU-UHFFFAOYSA-N 0 0 386.561 4.295 40 0 GIABRN O=C(Nc1ccc(Br)cc1)[C@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000000814839 570484586 /nfs/dbraw/zinc/48/45/86/570484586.db2.gz QQWXMZVXWZBPSI-CQSZACIVSA-N 0 0 397.631 4.373 40 0 GIABRN COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)ccc1Cl ZINC000223827464 570485831 /nfs/dbraw/zinc/48/58/31/570485831.db2.gz MYQDXUUOTGRXLZ-UHFFFAOYSA-N 0 0 394.663 4.234 40 0 GIABRN Cc1nc(NC(=S)NCc2ccc(F)cc2)c(Cl)cc1Br ZINC000223945902 570491504 /nfs/dbraw/zinc/49/15/04/570491504.db2.gz NZBOYHKJTXUPLD-UHFFFAOYSA-N 0 0 388.693 4.432 40 0 GIABRN CSc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1NC(C)=O ZINC000223992936 570493322 /nfs/dbraw/zinc/49/33/22/570493322.db2.gz KKVYQRYCKOCSSO-UHFFFAOYSA-N 0 0 384.910 4.130 40 0 GIABRN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C2=NCCO2)cc1 ZINC000006796191 570493848 /nfs/dbraw/zinc/49/38/48/570493848.db2.gz WSKDTOVKGXCNBK-UHFFFAOYSA-N 0 0 381.819 4.333 40 0 GIABRN Cc1nccn1-c1ccccc1CNC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000030754578 570494792 /nfs/dbraw/zinc/49/47/92/570494792.db2.gz YXDGOEQGEFKYDW-UHFFFAOYSA-N 0 0 383.879 4.146 40 0 GIABRN CCCNC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1Cl ZINC000027395379 570497273 /nfs/dbraw/zinc/49/72/73/570497273.db2.gz XKKICOPBCYRWNF-UHFFFAOYSA-N 0 0 395.684 4.495 40 0 GIABRN CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224104342 570498744 /nfs/dbraw/zinc/49/87/44/570498744.db2.gz GZGMJDBQESBVSD-FQEVSTJZSA-N 0 0 394.559 4.371 40 0 GIABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000030861076 570499209 /nfs/dbraw/zinc/49/92/09/570499209.db2.gz OAEKQGWFFOGGOP-HSZRJFAPSA-N 0 0 392.474 4.485 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl ZINC000224130049 570500124 /nfs/dbraw/zinc/50/01/24/570500124.db2.gz UBOVKMSVTAIFRG-HXUWFJFHSA-N 0 0 386.923 4.216 40 0 GIABRN COc1ccc(OCCCC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000224146870 570500891 /nfs/dbraw/zinc/50/08/91/570500891.db2.gz GALLOSZGQJWKDC-UHFFFAOYSA-N 0 0 385.504 4.347 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2cc(C)ccc2C)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224168071 570501718 /nfs/dbraw/zinc/50/17/18/570501718.db2.gz RTXHIYJRTHIKCX-OAQYLSRUSA-N 0 0 394.559 4.344 40 0 GIABRN Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 ZINC000000869915 570501765 /nfs/dbraw/zinc/50/17/65/570501765.db2.gz DHDJFVCMAQKTHL-UHFFFAOYSA-N 0 0 376.844 4.005 40 0 GIABRN O=C(COc1cccc2c1CCCC2)Nc1ccc(Br)cc1F ZINC000224166204 570501871 /nfs/dbraw/zinc/50/18/71/570501871.db2.gz ZXYCZFNSYWKEDY-UHFFFAOYSA-N 0 0 378.241 4.485 40 0 GIABRN COC(=O)c1c(C)c(C(=O)Nc2cccc(C)c2C)sc1NC(=O)C1CC1 ZINC000000871487 570502074 /nfs/dbraw/zinc/50/20/74/570502074.db2.gz IVGLJSYBOCDUPD-UHFFFAOYSA-N 0 0 386.473 4.061 40 0 GIABRN COc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224179140 570502758 /nfs/dbraw/zinc/50/27/58/570502758.db2.gz YRSWQXAEDCBEGJ-OAQYLSRUSA-N 0 0 397.515 4.481 40 0 GIABRN CC(C)(C)OC(=O)N1CCC[C@H](Oc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000043220453 570503327 /nfs/dbraw/zinc/50/33/27/570503327.db2.gz IOYYHNVDVUENSX-IBGZPJMESA-N 0 0 388.508 4.091 40 0 GIABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 ZINC000224199223 570503307 /nfs/dbraw/zinc/50/33/07/570503307.db2.gz JGJGFVHAUCTZKG-QHCPKHFHSA-N 0 0 392.543 4.404 40 0 GIABRN Cc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)n12 ZINC000000877082 570503693 /nfs/dbraw/zinc/50/36/93/570503693.db2.gz MIOWQGGVOGARLU-HZPDHXFCSA-N 0 0 382.533 4.381 40 0 GIABRN Cc1ccc2cc(CN(C(=S)NCC(C)C)C3CCCC3)c(=O)[nH]c2c1C ZINC000000874487 570503827 /nfs/dbraw/zinc/50/38/27/570503827.db2.gz FYNZYWFSGSMQEN-UHFFFAOYSA-N 0 0 385.577 4.420 40 0 GIABRN CCC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000224256491 570505863 /nfs/dbraw/zinc/50/58/63/570505863.db2.gz FGIIKOYYHRLSMP-OAQYLSRUSA-N 0 0 380.532 4.260 40 0 GIABRN COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1cc(C)cc(C)c1C ZINC000224275292 570507077 /nfs/dbraw/zinc/50/70/77/570507077.db2.gz OEIGHHCNXKMUIM-FQEVSTJZSA-N 0 0 383.488 4.108 40 0 GIABRN CCC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000224287833 570507443 /nfs/dbraw/zinc/50/74/43/570507443.db2.gz VKKIIBWPFOAWJI-NRFANRHFSA-N 0 0 380.532 4.260 40 0 GIABRN Cc1cccc([C@@H]2C[C@]3(CC(C)(C)NC(=S)N3)Oc3c(C)c(O)ccc32)c1 ZINC000000881924 570507876 /nfs/dbraw/zinc/50/78/76/570507876.db2.gz SLLNBTHOSAZHHL-HTAPYJJXSA-N 0 0 382.529 4.266 40 0 GIABRN Cc1cccc([C@@H]2C[C@@]3(CC(C)(C)NC(=S)N3)Oc3c(C)c(O)ccc32)c1 ZINC000000881928 570508014 /nfs/dbraw/zinc/50/80/14/570508014.db2.gz SLLNBTHOSAZHHL-JTSKRJEESA-N 0 0 382.529 4.266 40 0 GIABRN Cc1cccc([C@H]2C[C@]3(CC(C)(C)NC(=S)N3)Oc3c(C)c(O)ccc32)c1 ZINC000000881923 570508018 /nfs/dbraw/zinc/50/80/18/570508018.db2.gz SLLNBTHOSAZHHL-VGOFRKELSA-N 0 0 382.529 4.266 40 0 GIABRN Cc1ccc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c(C)cc2c1 ZINC000000881313 570508427 /nfs/dbraw/zinc/50/84/27/570508427.db2.gz DLJOALZTOPNZNP-UHFFFAOYSA-N 0 0 380.469 4.354 40 0 GIABRN CCC[C@@H](C)NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000224309887 570508533 /nfs/dbraw/zinc/50/85/33/570508533.db2.gz KZIUFNSBQCNWMB-QGZVFWFLSA-N 0 0 388.533 4.047 40 0 GIABRN COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 ZINC000224321021 570508909 /nfs/dbraw/zinc/50/89/09/570508909.db2.gz PNLNQSZMQIGKQS-CVEARBPZSA-N 0 0 383.488 4.227 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 ZINC000224344238 570510215 /nfs/dbraw/zinc/51/02/15/570510215.db2.gz MQEQRTPYGIDMOX-HXUWFJFHSA-N 0 0 386.923 4.134 40 0 GIABRN COc1ccc(CCC(=O)NCCSCc2ccc(Cl)cc2)cc1OC ZINC000032340229 570510405 /nfs/dbraw/zinc/51/04/05/570510405.db2.gz WPKUXEDOYZLMPX-UHFFFAOYSA-N 0 0 393.936 4.339 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)COc3ccc(C(C)C)cc3)s2)cc1 ZINC000224361451 570510843 /nfs/dbraw/zinc/51/08/43/570510843.db2.gz HEWWFWQMVSRINU-UHFFFAOYSA-N 0 0 383.473 4.355 40 0 GIABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)c1 ZINC000224379890 570511360 /nfs/dbraw/zinc/51/13/60/570511360.db2.gz GBLLSRQDQKRHQL-HXUWFJFHSA-N 0 0 381.516 4.244 40 0 GIABRN COc1ccc2cc(S(=O)(=O)NCCSc3ccc(C)cc3)ccc2c1 ZINC000224474851 570514788 /nfs/dbraw/zinc/51/47/88/570514788.db2.gz OGCYXDIKKFTJPA-UHFFFAOYSA-N 0 0 387.526 4.227 40 0 GIABRN C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccnc2)n1C1CCCCC1 ZINC000000905221 570515951 /nfs/dbraw/zinc/51/59/51/570515951.db2.gz GGBMYZPLSFXZAL-MRXNPFEDSA-N 0 0 399.564 4.338 40 0 GIABRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)[nH]c2C)c1 ZINC000224520944 570516280 /nfs/dbraw/zinc/51/62/80/570516280.db2.gz ADLJUFXOIMSTDP-PMACEKPBSA-N 0 0 378.501 4.212 40 0 GIABRN COc1cccc(NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1 ZINC000224557054 570518590 /nfs/dbraw/zinc/51/85/90/570518590.db2.gz AVASJOQKUBNEHI-UHFFFAOYSA-N 0 0 388.489 4.015 40 0 GIABRN CC(C)(C)OC(=O)N1CCC2(CC(=O)c3cccc(Br)c32)CC1 ZINC000091302713 570518797 /nfs/dbraw/zinc/51/87/97/570518797.db2.gz BTKGZHPVSDECPY-UHFFFAOYSA-N 0 0 380.282 4.304 40 0 GIABRN CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1O ZINC000224610444 570520542 /nfs/dbraw/zinc/52/05/42/570520542.db2.gz ARTLUASRLDTTKK-UXHICEINSA-N 0 0 378.501 4.347 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(CC)cc1 ZINC000224660999 570523072 /nfs/dbraw/zinc/52/30/72/570523072.db2.gz MSZDARIPSIYAOF-IBGZPJMESA-N 0 0 380.532 4.125 40 0 GIABRN Cc1nnc(S[C@H](C)C(=O)Nc2cccc3ccccc32)n1C[C@H]1CCCO1 ZINC000000915427 570523660 /nfs/dbraw/zinc/52/36/60/570523660.db2.gz FHTZIRBHCNGZAA-RHSMWYFYSA-N 0 0 396.516 4.038 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 ZINC000224690606 570524813 /nfs/dbraw/zinc/52/48/13/570524813.db2.gz WITFXYJQDAQXGW-QGZVFWFLSA-N 0 0 386.923 4.134 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 ZINC000224703337 570525516 /nfs/dbraw/zinc/52/55/16/570525516.db2.gz IHNQGZJCBURHKU-QGZVFWFLSA-N 0 0 386.923 4.134 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccccc1 ZINC000224728838 570527312 /nfs/dbraw/zinc/52/73/12/570527312.db2.gz GXHNZOVJMYCTSY-HXUWFJFHSA-N 0 0 396.531 4.098 40 0 GIABRN CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COCC(C)C ZINC000224739842 570528170 /nfs/dbraw/zinc/52/81/70/570528170.db2.gz WGTTWXGCBZJYKZ-UHFFFAOYSA-N 0 0 384.476 4.469 40 0 GIABRN COc1ccc(OC)c([C@H](C)NC(=O)CSCc2ccccc2Cl)c1 ZINC000008355930 570529007 /nfs/dbraw/zinc/52/90/07/570529007.db2.gz VREJCAMNJWUHCR-ZDUSSCGKSA-N 0 0 379.909 4.468 40 0 GIABRN COc1cc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC ZINC000008361473 570529189 /nfs/dbraw/zinc/52/91/89/570529189.db2.gz RLLJUSBLCFWETM-UHFFFAOYSA-N 0 0 377.440 4.309 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 ZINC000224779335 570530355 /nfs/dbraw/zinc/53/03/55/570530355.db2.gz OHIOBQCSTFWDTB-QGZVFWFLSA-N 0 0 386.923 4.216 40 0 GIABRN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2)N1CCCCCC1 ZINC000000918400 570534823 /nfs/dbraw/zinc/53/48/23/570534823.db2.gz FZXJKKFQWCCUIB-SWLSCSKDSA-N 0 0 382.386 4.153 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(CC)cc1 ZINC000224874409 570535620 /nfs/dbraw/zinc/53/56/20/570535620.db2.gz ZNNMSTFQIZTNGK-SFHVURJKSA-N 0 0 398.522 4.264 40 0 GIABRN O=C(CCc1ncc(-c2cccc(Br)c2)o1)NC1CCCCC1 ZINC000224883291 570535907 /nfs/dbraw/zinc/53/59/07/570535907.db2.gz SZAWZQKMUJXYMH-UHFFFAOYSA-N 0 0 377.282 4.486 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)COc3cccc4ccccc43)s2)cc1 ZINC000224880147 570535958 /nfs/dbraw/zinc/53/59/58/570535958.db2.gz YQCNYYFQTSKODH-UHFFFAOYSA-N 0 0 391.452 4.384 40 0 GIABRN COc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)o2)cc1OC ZINC000000925473 570538513 /nfs/dbraw/zinc/53/85/13/570538513.db2.gz UXOUSUIPJYOKFZ-UHFFFAOYSA-N 0 0 396.428 4.096 40 0 GIABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1Cl ZINC000224948743 570539451 /nfs/dbraw/zinc/53/94/51/570539451.db2.gz JRKNXNITWHJEIO-ZWKOTPCHSA-N 0 0 384.892 4.249 40 0 GIABRN COc1ccc(-c2csc(N(C)C(=O)COc3c(C)cccc3C)n2)cc1 ZINC000000929075 570539812 /nfs/dbraw/zinc/53/98/12/570539812.db2.gz SDIJDEKRARBOLX-UHFFFAOYSA-N 0 0 382.485 4.477 40 0 GIABRN CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000224958203 570539840 /nfs/dbraw/zinc/53/98/40/570539840.db2.gz AZWRYIXOEXFTRB-UHFFFAOYSA-N 0 0 390.288 4.226 40 0 GIABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C)cc1Cl ZINC000224964424 570539905 /nfs/dbraw/zinc/53/99/05/570539905.db2.gz PUIGGAAOWOGWHB-RTBURBONSA-N 0 0 398.919 4.259 40 0 GIABRN Cc1nc(NC(=O)CSc2nc3cc4c(cc3cc2C)OCO4)sc1C ZINC000000930024 570540291 /nfs/dbraw/zinc/54/02/91/570540291.db2.gz NIQDWRKNBVTASY-UHFFFAOYSA-N 0 0 387.486 4.076 40 0 GIABRN COC(=O)c1cc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)ccc1Cl ZINC000148945919 570540823 /nfs/dbraw/zinc/54/08/23/570540823.db2.gz LFTGGQCUXDKPAA-UHFFFAOYSA-N 0 0 397.862 4.241 40 0 GIABRN CCOc1ccc(C(=O)N[C@H](CC)c2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000224980060 570541441 /nfs/dbraw/zinc/54/14/41/570541441.db2.gz YTDRXUPVUBQJKY-QGZVFWFLSA-N 0 0 395.908 4.023 40 0 GIABRN O=C(CSCc1ccc(Cl)cc1F)N1CCN(c2ccccc2)CC1 ZINC000224998322 570542165 /nfs/dbraw/zinc/54/21/65/570542165.db2.gz ZILSMRFESJDHOY-UHFFFAOYSA-N 0 0 378.900 4.061 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)ccc1C ZINC000225000174 570542656 /nfs/dbraw/zinc/54/26/56/570542656.db2.gz LHFRRUBZHPPMBB-WOJBJXKFSA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl ZINC000225010866 570543375 /nfs/dbraw/zinc/54/33/75/570543375.db2.gz LSTHHPFYHDGHRC-IRXDYDNUSA-N 0 0 386.923 4.215 40 0 GIABRN Cn1c2ccc(NC(=O)c3ccccc3OCc3ccccc3)cc2sc1=O ZINC000225047638 570545419 /nfs/dbraw/zinc/54/54/19/570545419.db2.gz GIXREKSRJWGFKV-UHFFFAOYSA-N 0 0 390.464 4.431 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225077763 570547500 /nfs/dbraw/zinc/54/75/00/570547500.db2.gz IRTVHRIVESJOHL-NHCUHLMSSA-N 0 0 394.559 4.486 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 ZINC000225091205 570548005 /nfs/dbraw/zinc/54/80/05/570548005.db2.gz DHYHQRUWHFKYOL-ZWKOTPCHSA-N 0 0 384.495 4.009 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C ZINC000225092430 570548067 /nfs/dbraw/zinc/54/80/67/570548067.db2.gz JXWOAPPWYJMMGY-UXHICEINSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F ZINC000225092927 570548321 /nfs/dbraw/zinc/54/83/21/570548321.db2.gz SUJUDQPMFJRRRR-ZWKOTPCHSA-N 0 0 384.495 4.009 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccccc1 ZINC000225103226 570548881 /nfs/dbraw/zinc/54/88/81/570548881.db2.gz NEIFQZIEQOFSSY-OAQYLSRUSA-N 0 0 398.572 4.421 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1cccc2c1CCCC2 ZINC000225114233 570549924 /nfs/dbraw/zinc/54/99/24/570549924.db2.gz YQQBGQLEKPKYBN-HXUWFJFHSA-N 0 0 395.499 4.371 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1 ZINC000225131128 570550978 /nfs/dbraw/zinc/55/09/78/570550978.db2.gz OCRBZSUMWUBROU-JOCHJYFZSA-N 0 0 396.531 4.016 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 ZINC000225134456 570551460 /nfs/dbraw/zinc/55/14/60/570551460.db2.gz IKLPMUIBZVQVGP-IAGOWNOFSA-N 0 0 386.923 4.215 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1 ZINC000225137805 570551657 /nfs/dbraw/zinc/55/16/57/570551657.db2.gz WQCFZMXPCSAXGM-QGZVFWFLSA-N 0 0 386.923 4.216 40 0 GIABRN CC(C)n1c2ccc(NC(=O)c3cccc(N4CCCC4=O)c3)cc2sc1=O ZINC000225159809 570552628 /nfs/dbraw/zinc/55/26/28/570552628.db2.gz XRZRWXAKHDYATG-UHFFFAOYSA-N 0 0 395.484 4.023 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCOc2ccc(C)cc2C)cc1C(C)C ZINC000225170211 570553617 /nfs/dbraw/zinc/55/36/17/570553617.db2.gz IYIORZHYDMCHPY-UHFFFAOYSA-N 0 0 391.533 4.101 40 0 GIABRN CC(C)(C)c1ccc(OCCNC(=O)COc2ccc3c(c2)CCCC3)cc1 ZINC000225181852 570553939 /nfs/dbraw/zinc/55/39/39/570553939.db2.gz JHVWBIAFIBYGAG-UHFFFAOYSA-N 0 0 381.516 4.437 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 ZINC000225193788 570554702 /nfs/dbraw/zinc/55/47/02/570554702.db2.gz AABMIGNDZWURFC-JOCHJYFZSA-N 0 0 380.532 4.180 40 0 GIABRN COc1ccccc1C(=O)N1CCS/C1=C\c1nc(-c2ccccc2F)no1 ZINC000225242237 570558993 /nfs/dbraw/zinc/55/89/93/570558993.db2.gz OUPAVWGGDQIOEP-LDADJPATSA-N 0 0 397.431 4.072 40 0 GIABRN CCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225248058 570559457 /nfs/dbraw/zinc/55/94/57/570559457.db2.gz HQUCWBLQYRPLBP-QHCPKHFHSA-N 0 0 392.543 4.485 40 0 GIABRN CCNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000009936496 570563086 /nfs/dbraw/zinc/56/30/86/570563086.db2.gz GHIHWWFDLQKJAN-HNNXBMFYSA-N 0 0 395.894 4.277 40 0 GIABRN S=C(NCCSCc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 ZINC000225302840 570563483 /nfs/dbraw/zinc/56/34/83/570563483.db2.gz JRLDYIHYUNJEPJ-UHFFFAOYSA-N 0 0 394.949 4.331 40 0 GIABRN CCOc1ccc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000036635859 570566544 /nfs/dbraw/zinc/56/65/44/570566544.db2.gz OZUYADWMRNNVNH-CQSZACIVSA-N 0 0 379.243 4.136 40 0 GIABRN CC[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(OC)c(C)c1 ZINC000225400121 570569654 /nfs/dbraw/zinc/56/96/54/570569654.db2.gz DBUKHYVRYTVXTO-FQEVSTJZSA-N 0 0 380.488 4.007 40 0 GIABRN O=C(COc1ccc(F)cc1)N1CCc2nc(-c3cccc(F)c3)sc2C1 ZINC000036752141 570569988 /nfs/dbraw/zinc/56/99/88/570569988.db2.gz VXPYKTFXEDBUES-UHFFFAOYSA-N 0 0 386.423 4.052 40 0 GIABRN COc1ccc(NC(=S)NCCSCc2ccccc2F)c(OC)c1 ZINC000225411965 570570962 /nfs/dbraw/zinc/57/09/62/570570962.db2.gz HDFXDYAAULZNKJ-UHFFFAOYSA-N 0 0 380.510 4.063 40 0 GIABRN CCOc1ccc(CNC(=S)Nc2ccc(Cl)c(C(=O)OC)c2)cc1 ZINC000225431161 570573470 /nfs/dbraw/zinc/57/34/70/570573470.db2.gz HYNYZEFKAJRALB-UHFFFAOYSA-N 0 0 378.881 4.012 40 0 GIABRN Cc1sc2nc(C)nc(SCC(=O)Nc3ccc(N(C)C)cc3)c2c1C ZINC000001357881 570574926 /nfs/dbraw/zinc/57/49/26/570574926.db2.gz QKPKSHNVBMRSKM-UHFFFAOYSA-N 0 0 386.546 4.413 40 0 GIABRN CC[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(OC)c(OC)c1 ZINC000225447430 570574956 /nfs/dbraw/zinc/57/49/56/570574956.db2.gz SKGXDEFLPHUKEY-IBGZPJMESA-N 0 0 383.488 4.020 40 0 GIABRN S=C(NCc1ccc(-n2ccnc2)cc1)Nc1cccc(Br)c1 ZINC000225452651 570575415 /nfs/dbraw/zinc/57/54/15/570575415.db2.gz AQRXAIYRIHIIFL-UHFFFAOYSA-N 0 0 387.306 4.121 40 0 GIABRN Cc1nccn1-c1ccccc1CNC(=S)Nc1ccc(OC(C)C)cc1 ZINC000225451134 570575535 /nfs/dbraw/zinc/57/55/35/570575535.db2.gz RWJXUIMGXAZLAB-UHFFFAOYSA-N 0 0 380.517 4.455 40 0 GIABRN Cc1nccn1-c1ccccc1CNC(=S)Nc1cccc(OC(C)C)c1 ZINC000225451186 570575575 /nfs/dbraw/zinc/57/55/75/570575575.db2.gz RMWMIWOMGUILGI-UHFFFAOYSA-N 0 0 380.517 4.455 40 0 GIABRN CCC(=O)N(Cc1ccccc1OC)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001359488 570575703 /nfs/dbraw/zinc/57/57/03/570575703.db2.gz KLNZGKHQVWGRKB-UHFFFAOYSA-N 0 0 378.472 4.092 40 0 GIABRN O=C(c1c(F)cccc1F)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000001359538 570575735 /nfs/dbraw/zinc/57/57/35/570575735.db2.gz CUMTUWZBGRAQNP-ZDUSSCGKSA-N 0 0 387.361 4.174 40 0 GIABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000225453550 570575895 /nfs/dbraw/zinc/57/58/95/570575895.db2.gz FBXYCNWYJQATAF-INIZCTEOSA-N 0 0 378.472 4.098 40 0 GIABRN COc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4ccccc4Cl)C3)n2)c1 ZINC000001360522 570575980 /nfs/dbraw/zinc/57/59/80/570575980.db2.gz YKXVQCDBRNEXLA-OAHLLOKOSA-N 0 0 397.862 4.418 40 0 GIABRN CCN(CC)C(=O)CSc1nnc(-c2ccoc2C)n1CCc1ccccc1 ZINC000001361161 570576039 /nfs/dbraw/zinc/57/60/39/570576039.db2.gz XDYIFQPYSDTYRG-UHFFFAOYSA-N 0 0 398.532 4.050 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C ZINC000225457756 570576336 /nfs/dbraw/zinc/57/63/36/570576336.db2.gz PAHCFRVJYQAQSV-TZIWHRDSSA-N 0 0 396.531 4.096 40 0 GIABRN Cc1ccc(OCCCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225468379 570577570 /nfs/dbraw/zinc/57/75/70/570577570.db2.gz LMSNMFGEHUBDRZ-FQEVSTJZSA-N 0 0 396.531 4.096 40 0 GIABRN COc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000001363882 570577770 /nfs/dbraw/zinc/57/77/70/570577770.db2.gz KRXRKLMLEPOKDL-INIZCTEOSA-N 0 0 397.862 4.418 40 0 GIABRN CCCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccco1 ZINC000001364381 570578079 /nfs/dbraw/zinc/57/80/79/570578079.db2.gz FUCMLPCYNJTDJP-UHFFFAOYSA-N 0 0 376.869 4.332 40 0 GIABRN Cc1ccccc1CN(C(=O)CCCOc1ccccc1)[C@H](C)C(=O)NC(C)C ZINC000225488928 570579324 /nfs/dbraw/zinc/57/93/24/570579324.db2.gz FRJRMLNYKVMORY-HXUWFJFHSA-N 0 0 396.531 4.096 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 ZINC000225489056 570579447 /nfs/dbraw/zinc/57/94/47/570579447.db2.gz MHCGSBXQOMBZDE-SIKLNZKXSA-N 0 0 396.531 4.096 40 0 GIABRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCC ZINC000225488226 570579525 /nfs/dbraw/zinc/57/95/25/570579525.db2.gz FROQGLXKMSWZSW-QFIPXVFZSA-N 0 0 398.522 4.482 40 0 GIABRN COc1ccc2cc(CN(Cc3ccccc3)C(=O)c3ccccc3)c(=O)[nH]c2c1 ZINC000001366681 570579743 /nfs/dbraw/zinc/57/97/43/570579743.db2.gz XMJSPJLSIWEAST-UHFFFAOYSA-N 0 0 398.462 4.379 40 0 GIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1 ZINC000225493472 570579761 /nfs/dbraw/zinc/57/97/61/570579761.db2.gz GXZFJFNLCYBCFW-SIKLNZKXSA-N 0 0 380.532 4.260 40 0 GIABRN CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225492627 570579815 /nfs/dbraw/zinc/57/98/15/570579815.db2.gz GWBVTDMAJBZOMO-FQEVSTJZSA-N 0 0 394.559 4.432 40 0 GIABRN CC(=O)N(Cc1ccc(Cl)cc1)Cc1cc2c(C)cc(C)cc2n2nnnc12 ZINC000001367419 570580135 /nfs/dbraw/zinc/58/01/35/570580135.db2.gz LJXSZLRKNRZQJQ-UHFFFAOYSA-N 0 0 393.878 4.096 40 0 GIABRN Cc1cccc(CN(C(=O)CSCc2ccccc2)[C@H](C)C(=O)NC(C)C)c1 ZINC000225497204 570580648 /nfs/dbraw/zinc/58/06/48/570580648.db2.gz HGSOYGFJSGYLNR-LJQANCHMSA-N 0 0 398.572 4.170 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225507365 570581518 /nfs/dbraw/zinc/58/15/18/570581518.db2.gz QADSQXALNBVPMQ-KRWDZBQOSA-N 0 0 386.923 4.133 40 0 GIABRN Cc1cc(NC(=S)NCc2cccc(OC(C)C)c2)ccc1N1CCCC1=O ZINC000225524858 570583432 /nfs/dbraw/zinc/58/34/32/570583432.db2.gz KVHCSNDWOOKTAJ-UHFFFAOYSA-N 0 0 397.544 4.396 40 0 GIABRN COc1ccc(CNC(=O)[C@H](OC(=O)c2ccco2)c2ccc(Cl)cc2)cc1 ZINC000001381075 570583665 /nfs/dbraw/zinc/58/36/65/570583665.db2.gz CAIYECXGLYYWAO-LJQANCHMSA-N 0 0 399.830 4.156 40 0 GIABRN COc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)c(C)c1C ZINC000225531970 570584407 /nfs/dbraw/zinc/58/44/07/570584407.db2.gz IVLSFIQXLGKWNI-UHFFFAOYSA-N 0 0 381.497 4.380 40 0 GIABRN CCC(CC)C(=O)Nc1nnc(SCC(=O)Nc2ccccc2Cl)s1 ZINC000001381684 570584473 /nfs/dbraw/zinc/58/44/73/570584473.db2.gz SKQJZRVTNWVWRD-UHFFFAOYSA-N 0 0 398.941 4.297 40 0 GIABRN Cc1cccc(NC(=O)[C@@H](C)Oc2cc(C)c(Br)c(C)c2C)n1 ZINC000038830320 570584599 /nfs/dbraw/zinc/58/45/99/570584599.db2.gz YCVILERQTCBDOA-CQSZACIVSA-N 0 0 377.282 4.484 40 0 GIABRN COc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225575148 570589809 /nfs/dbraw/zinc/58/98/09/570589809.db2.gz STVMTUMMVPUZMH-UHFFFAOYSA-N 0 0 376.859 4.338 40 0 GIABRN COC(=O)c1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)c1C ZINC000225577231 570590344 /nfs/dbraw/zinc/59/03/44/570590344.db2.gz UTIIDNBIGPPHOX-KRWDZBQOSA-N 0 0 384.501 4.370 40 0 GIABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)c(C)c1 ZINC000225591825 570591897 /nfs/dbraw/zinc/59/18/97/570591897.db2.gz LSGCZUPELNSDDE-UHFFFAOYSA-N 0 0 399.468 4.134 40 0 GIABRN O=C(C[C@H]1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1cccc2ccccc21 ZINC000039964157 570594481 /nfs/dbraw/zinc/59/44/81/570594481.db2.gz UCMSSBSHHPXORU-NRFANRHFSA-N 0 0 396.450 4.268 40 0 GIABRN CCOc1ccc(CCCNC(=S)Nc2cc(C(=O)OC)ccc2C)cc1 ZINC000225622235 570595260 /nfs/dbraw/zinc/59/52/60/570595260.db2.gz ACZXPVYDWYAOIA-UHFFFAOYSA-N 0 0 386.517 4.100 40 0 GIABRN O=C1CCCN1c1cccc(CNC(=S)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000225646575 570597706 /nfs/dbraw/zinc/59/77/06/570597706.db2.gz KBAKFSIBRXMNGM-UHFFFAOYSA-N 0 0 393.434 4.319 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000225644958 570597814 /nfs/dbraw/zinc/59/78/14/570597814.db2.gz CCSLPHGYWRQOPE-AVRDEDQJSA-N 0 0 398.522 4.480 40 0 GIABRN O=C(NCCCN1CCc2ccccc21)c1cc(Br)ccc1Cl ZINC000029520521 570598226 /nfs/dbraw/zinc/59/82/26/570598226.db2.gz AOLBYUIWLKOTSE-UHFFFAOYSA-N 0 0 393.712 4.285 40 0 GIABRN CC1CCN(c2nc(=O)c3c(ncn(-c4ccc(Cl)cc4)c3=S)[nH]2)CC1 ZINC000040385711 570598954 /nfs/dbraw/zinc/59/89/54/570598954.db2.gz FIHNKNQHSBDLJK-UHFFFAOYSA-N 0 0 387.896 4.140 40 0 GIABRN CCCCCn1ccc2c(cnc3c(-c4ccc(F)cc4)c(COC)nn32)c1=O ZINC000040397060 570601079 /nfs/dbraw/zinc/60/10/79/570601079.db2.gz MNLKOAXVSZRVRQ-UHFFFAOYSA-N 0 0 394.450 4.187 40 0 GIABRN CCc1nn2c(ncc3c2ccn(CCC(C)C)c3=O)c1-c1ccc(F)cc1 ZINC000040396708 570601105 /nfs/dbraw/zinc/60/11/05/570601105.db2.gz ROBYJUNOFKDREX-UHFFFAOYSA-N 0 0 378.451 4.459 40 0 GIABRN Cc1ccc(SCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225682247 570602690 /nfs/dbraw/zinc/60/26/90/570602690.db2.gz ZVGBZANUSVDFLZ-IBGZPJMESA-N 0 0 398.572 4.072 40 0 GIABRN Cc1cccc(C(C)C)c1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000040640005 570603738 /nfs/dbraw/zinc/60/37/38/570603738.db2.gz JMVXJYGTDSFGLF-UHFFFAOYSA-N 0 0 386.517 4.301 40 0 GIABRN CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225696018 570604537 /nfs/dbraw/zinc/60/45/37/570604537.db2.gz AWMVTVRYBMAXNT-FQEVSTJZSA-N 0 0 394.559 4.166 40 0 GIABRN CCOC(=O)c1cccc(NC(=S)N[C@@H]2CCCc3cc(OC)ccc32)c1 ZINC000225704391 570606071 /nfs/dbraw/zinc/60/60/71/570606071.db2.gz OWWMCZUFRRQMNW-LJQANCHMSA-N 0 0 384.501 4.236 40 0 GIABRN COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1cccc(N2CCCC2=O)c1 ZINC000225705317 570606713 /nfs/dbraw/zinc/60/67/13/570606713.db2.gz HXMPVDCFSMYRCT-HXUWFJFHSA-N 0 0 395.528 4.186 40 0 GIABRN CC(C)n1c2ccc(S(=O)(=O)NC3CCCCCCC3)cc2sc1=O ZINC000225714607 570607512 /nfs/dbraw/zinc/60/75/12/570607512.db2.gz CLKGONYXIRMSOC-UHFFFAOYSA-N 0 0 382.551 4.035 40 0 GIABRN Cc1ccc(C)c(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)c1 ZINC000225727332 570609659 /nfs/dbraw/zinc/60/96/59/570609659.db2.gz UVZTVBXJMYAJFO-UHFFFAOYSA-N 0 0 385.261 4.020 40 0 GIABRN CC(C)Oc1cccc(CCCNC(=O)C2(c3ccccc3)CCOCC2)c1 ZINC000225732766 570610716 /nfs/dbraw/zinc/61/07/16/570610716.db2.gz ISRFQHKNCQANKP-UHFFFAOYSA-N 0 0 381.516 4.271 40 0 GIABRN O=C(Cn1ccc(=O)c2ccc(Br)cc21)Nc1ccc(Cl)cc1 ZINC000225739276 570611522 /nfs/dbraw/zinc/61/15/22/570611522.db2.gz VUUNGAKACIQLPO-UHFFFAOYSA-N 0 0 391.652 4.056 40 0 GIABRN COC(=O)c1cc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)ccc1OC ZINC000225767772 570614912 /nfs/dbraw/zinc/61/49/12/570614912.db2.gz WGUYISARYDLJDG-UHFFFAOYSA-N 0 0 397.471 4.331 40 0 GIABRN CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2)nnc1-c1ccccc1OC ZINC000004130219 570616989 /nfs/dbraw/zinc/61/69/89/570616989.db2.gz BIJXIUFGAZFREJ-OAHLLOKOSA-N 0 0 396.516 4.401 40 0 GIABRN CC1(C)[C@H]2CC[C@]1(C)c1nc(SCC(=O)Nc3cccc(Cl)c3)nnc12 ZINC000004130176 570617026 /nfs/dbraw/zinc/61/70/26/570617026.db2.gz ZWHWHTNSCJCFPW-ORAYPTAESA-N 0 0 388.924 4.431 40 0 GIABRN O=C(Nc1cccc(F)c1)c1snnc1-c1ccc(Br)cc1 ZINC000225783358 570617255 /nfs/dbraw/zinc/61/72/55/570617255.db2.gz HNTQXCPCHJDSTO-UHFFFAOYSA-N 0 0 378.226 4.359 40 0 GIABRN COc1ccc(NC(=O)c2snnc2-c2ccc(Br)cc2)cc1 ZINC000225784238 570617301 /nfs/dbraw/zinc/61/73/01/570617301.db2.gz XOLHQPFURNOSOL-UHFFFAOYSA-N 0 0 390.262 4.229 40 0 GIABRN COc1ccc([C@H](C)NC(=O)CCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000225812174 570620119 /nfs/dbraw/zinc/62/01/19/570620119.db2.gz INJGUYXRWVBLHL-ZDUSSCGKSA-N 0 0 385.851 4.209 40 0 GIABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1 ZINC000225810953 570620168 /nfs/dbraw/zinc/62/01/68/570620168.db2.gz GQAXLGREHGTQMX-CYBMUJFWSA-N 0 0 394.393 4.251 40 0 GIABRN COc1ccc([C@@H](C)NC(=O)CCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000225809963 570620229 /nfs/dbraw/zinc/62/02/29/570620229.db2.gz DKDQBNRMFVDVQA-CYBMUJFWSA-N 0 0 385.851 4.209 40 0 GIABRN CCOc1ccc(CCCNC(=O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000225813582 570620701 /nfs/dbraw/zinc/62/07/01/570620701.db2.gz OCHWPAGCWRXIDB-UHFFFAOYSA-N 0 0 381.394 4.232 40 0 GIABRN COc1cccc(-c2noc(CCC(=O)NCc3cccc4ccccc43)n2)c1 ZINC000225825531 570622249 /nfs/dbraw/zinc/62/22/49/570622249.db2.gz JGNJGPSXEDMCDG-UHFFFAOYSA-N 0 0 387.439 4.147 40 0 GIABRN CCOC(=O)c1cc(NC(=O)C2(OCC)CCCC2)ccc1O[C@@H](C)CC ZINC000225828769 570622655 /nfs/dbraw/zinc/62/26/55/570622655.db2.gz DZWWCIMPLCPCCH-HNNXBMFYSA-N 0 0 377.481 4.328 40 0 GIABRN CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCCC)cc1C(=O)OC ZINC000225840340 570624295 /nfs/dbraw/zinc/62/42/95/570624295.db2.gz XKFVCJXWIDDNTF-OAQYLSRUSA-N 0 0 379.497 4.432 40 0 GIABRN CCCOc1ccc(NC(=O)C2(OCCC)CCCC2)cc1C(=O)OCC ZINC000225849689 570626210 /nfs/dbraw/zinc/62/62/10/570626210.db2.gz BNEIZINMMIGMBN-UHFFFAOYSA-N 0 0 377.481 4.330 40 0 GIABRN COc1cc(C)c(S(=O)(=O)NCCSCc2ccc(Cl)cc2)cc1C ZINC000225854885 570626762 /nfs/dbraw/zinc/62/67/62/570626762.db2.gz AEKDKYHLKRDPMS-UHFFFAOYSA-N 0 0 399.965 4.177 40 0 GIABRN CCCO[C@@]1(C(=O)Nc2ccc(OC)c(C(=O)OCC)c2)CCC[C@@H](C)C1 ZINC000225853797 570626850 /nfs/dbraw/zinc/62/68/50/570626850.db2.gz GAKAKFWPUDKLNO-VFNWGFHPSA-N 0 0 377.481 4.186 40 0 GIABRN CCCOc1ccc(NC(=O)[C@@](C)(OCCC)C2CC2)cc1C(=O)OCC ZINC000225857910 570627481 /nfs/dbraw/zinc/62/74/81/570627481.db2.gz HQFQVGFWZZWVKE-NRFANRHFSA-N 0 0 377.481 4.186 40 0 GIABRN CCOCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cn1 ZINC000225867597 570628625 /nfs/dbraw/zinc/62/86/25/570628625.db2.gz PNKLWNLXRASZFA-UHFFFAOYSA-N 0 0 386.467 4.477 40 0 GIABRN CCOCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cn1 ZINC000225868176 570629041 /nfs/dbraw/zinc/62/90/41/570629041.db2.gz APWQMNFZKZMAJG-UHFFFAOYSA-N 0 0 386.467 4.477 40 0 GIABRN Cc1ccc(-c2nnn(CC(=O)Nc3ccc4c(c3)oc3ccccc34)n2)cc1 ZINC000004568719 570630245 /nfs/dbraw/zinc/63/02/45/570630245.db2.gz HVSOENBOESKOCN-UHFFFAOYSA-N 0 0 383.411 4.187 40 0 GIABRN CC(C)Oc1ccc(NC(=O)C2(C3(C(=O)N(C)C)CC3)CC2)c2ccccc12 ZINC000225925703 570633913 /nfs/dbraw/zinc/63/39/13/570633913.db2.gz BUMYORXXTNQPRR-UHFFFAOYSA-N 0 0 380.488 4.214 40 0 GIABRN COc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCC(C)CC2)cc1OC ZINC000004847694 570634293 /nfs/dbraw/zinc/63/42/93/570634293.db2.gz ZLDIGDJIYQDJDF-OAQYLSRUSA-N 0 0 399.539 4.017 40 0 GIABRN Cc1cc(N2CCCCCC2)nc(NC(=S)NCc2ccc(Cl)cc2)n1 ZINC000225935562 570634577 /nfs/dbraw/zinc/63/45/77/570634577.db2.gz FRSXXBAQYCHKRG-UHFFFAOYSA-N 0 0 389.956 4.305 40 0 GIABRN Cc1cc(N2CCC(C)CC2)nc(NC(=S)NCc2ccccc2Cl)n1 ZINC000225938224 570634784 /nfs/dbraw/zinc/63/47/84/570634784.db2.gz MNFSCSFVXATCFH-UHFFFAOYSA-N 0 0 389.956 4.161 40 0 GIABRN O=C(NCc1ccc(-n2ccnc2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000044846874 570635174 /nfs/dbraw/zinc/63/51/74/570635174.db2.gz DMKMKFCGAHILGU-UHFFFAOYSA-N 0 0 383.451 4.381 40 0 GIABRN COc1ccc(S[C@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000044846149 570635295 /nfs/dbraw/zinc/63/52/95/570635295.db2.gz ULABDHWMTSVOIC-GOSISDBHSA-N 0 0 384.545 4.141 40 0 GIABRN O=C(Nc1ccc(OC2CSC2)cc1)C1(c2ccc3c(c2)OCO3)CCCC1 ZINC000225945268 570635466 /nfs/dbraw/zinc/63/54/66/570635466.db2.gz MBIMFCCJRLRUPR-UHFFFAOYSA-N 0 0 397.496 4.360 40 0 GIABRN CC(C)c1ccc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1 ZINC000225950735 570636104 /nfs/dbraw/zinc/63/61/04/570636104.db2.gz KLAGQLYPEURCCS-SFHVURJKSA-N 0 0 394.924 4.083 40 0 GIABRN COc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(Cn2ccnc2C)cc1 ZINC000044856265 570636578 /nfs/dbraw/zinc/63/65/78/570636578.db2.gz RMYVLZUCYJWXLW-JOCHJYFZSA-N 0 0 375.472 4.056 40 0 GIABRN Cc1cc(N2C[C@H](C)C[C@H](C)C2)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 ZINC000225962356 570636780 /nfs/dbraw/zinc/63/67/80/570636780.db2.gz USXOYNVIGKGECE-UXLLHSPISA-N 0 0 383.565 4.315 40 0 GIABRN CC(C)(C)c1nc2ccccc2c2nnc(SCC(=O)N3CCCCCC3)n21 ZINC000004898239 570637520 /nfs/dbraw/zinc/63/75/20/570637520.db2.gz VQKVXGPBFWUKDQ-UHFFFAOYSA-N 0 0 397.548 4.070 40 0 GIABRN CC[C@@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1-c1cccc(C)c1 ZINC000004852055 570637886 /nfs/dbraw/zinc/63/78/86/570637886.db2.gz KFOMJTGDTBTQNZ-CQSZACIVSA-N 0 0 384.505 4.151 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1 ZINC000044884196 570638641 /nfs/dbraw/zinc/63/86/41/570638641.db2.gz NQVMJTYKLFKXSJ-UHFFFAOYSA-N 0 0 386.517 4.201 40 0 GIABRN Cc1ccc(C)c(NC(=S)N2CCC(NC(=O)c3cccc(F)c3)CC2)c1 ZINC000004857533 570638725 /nfs/dbraw/zinc/63/87/25/570638725.db2.gz AZOKKYSJHVPTNA-UHFFFAOYSA-N 0 0 385.508 4.034 40 0 GIABRN Cc1cccc(N2CCN(C(=O)c3cc4cccc(Cl)c4oc3=O)CC2)c1C ZINC000226040915 570639514 /nfs/dbraw/zinc/63/95/14/570639514.db2.gz OATVORNZGPBQSU-UHFFFAOYSA-N 0 0 396.874 4.026 40 0 GIABRN CCC[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000044901079 570640376 /nfs/dbraw/zinc/64/03/76/570640376.db2.gz AZHGRZUHHLSHGX-CQSZACIVSA-N 0 0 394.924 4.368 40 0 GIABRN COc1cccc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)c1 ZINC000004861203 570640893 /nfs/dbraw/zinc/64/08/93/570640893.db2.gz VHWCVPVVLLQHLO-UHFFFAOYSA-N 0 0 395.440 4.163 40 0 GIABRN COCCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1ccc(C)cc1 ZINC000004861251 570640907 /nfs/dbraw/zinc/64/09/07/570640907.db2.gz NLAQFIVAPUZCSM-UHFFFAOYSA-N 0 0 393.487 4.134 40 0 GIABRN O=C(NCc1ccccc1-n1ccnc1)c1cccc(OCc2ccccc2)c1 ZINC000044904039 570641331 /nfs/dbraw/zinc/64/13/31/570641331.db2.gz XISGSWAAGYKHLE-UHFFFAOYSA-N 0 0 383.451 4.381 40 0 GIABRN CCOc1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3CC)CC2)cc1 ZINC000004888463 570643214 /nfs/dbraw/zinc/64/32/14/570643214.db2.gz BLECOQMKCHZOBE-UHFFFAOYSA-N 0 0 395.503 4.074 40 0 GIABRN COc1cccc(-c2noc([C@H]3CCCN(C(=O)CCC4CCCC4)C3)n2)c1 ZINC000004890070 570644036 /nfs/dbraw/zinc/64/40/36/570644036.db2.gz SQZCIUFJUDNODS-SFHVURJKSA-N 0 0 383.492 4.422 40 0 GIABRN Cc1cc2c3nnc(SCC(=O)Nc4cc(C)cc(C)c4)nc3[nH]c2c(C)c1 ZINC000004954430 570646561 /nfs/dbraw/zinc/64/65/61/570646561.db2.gz KIKZEVTWUVUFJH-UHFFFAOYSA-N 0 0 391.500 4.471 40 0 GIABRN CCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@H]1c1cc(OC)ccc1OC ZINC000004909687 570648499 /nfs/dbraw/zinc/64/84/99/570648499.db2.gz VXNWHIBPLFNOKD-JOCHJYFZSA-N 0 0 391.471 4.358 40 0 GIABRN Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(C)c3)CC2=O)c1 ZINC000059227319 570652106 /nfs/dbraw/zinc/65/21/06/570652106.db2.gz KKKHTUSLYDVFMY-AWEZNQCLSA-N 0 0 387.277 4.058 40 0 GIABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3)CC2=O)cc1C ZINC000059227364 570652137 /nfs/dbraw/zinc/65/21/37/570652137.db2.gz LOMLHTJSWGEILG-CQSZACIVSA-N 0 0 387.277 4.058 40 0 GIABRN C[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2CCc1ccccc1)c1ccccc1 ZINC000005001862 570652257 /nfs/dbraw/zinc/65/22/57/570652257.db2.gz NYPGTJZIXVMKMO-QGZVFWFLSA-N 0 0 385.467 4.063 40 0 GIABRN O=C(NC[C@H]1COc2ccccc2O1)c1ncoc1-c1ccc2ccccc2c1 ZINC000005002093 570652304 /nfs/dbraw/zinc/65/23/04/570652304.db2.gz DMWJGSADYGQWDI-SFHVURJKSA-N 0 0 386.407 4.065 40 0 GIABRN COc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c(OC)c1 ZINC000059294611 570653353 /nfs/dbraw/zinc/65/33/53/570653353.db2.gz XMTCJNWTNXBYGM-UHFFFAOYSA-N 0 0 390.439 4.137 40 0 GIABRN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000004976330 570655500 /nfs/dbraw/zinc/65/55/00/570655500.db2.gz WMFXQPVLIMVJJP-UHFFFAOYSA-N 0 0 380.517 4.236 40 0 GIABRN COc1ccc(OC)c(/C=C2/SC(=O)N(CNc3ccc(C)cc3)C2=O)c1 ZINC000059377858 570655763 /nfs/dbraw/zinc/65/57/63/570655763.db2.gz FFYZCVICLUCKHL-WOJGMQOQSA-N 0 0 384.457 4.118 40 0 GIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NC(=O)C[C@H](C)n2ccnc2C)cc1 ZINC000060016620 570660455 /nfs/dbraw/zinc/66/04/55/570660455.db2.gz OBTLZZMYKIUSHR-QLCNHFPUSA-N 0 0 381.520 4.240 40 0 GIABRN Cc1ccc(SCC(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 ZINC000061239938 570661368 /nfs/dbraw/zinc/66/13/68/570661368.db2.gz JJNBJFDZHKDFLF-UHFFFAOYSA-N 0 0 391.496 4.051 40 0 GIABRN COc1ccc(N2C(=S)N=NC2CNc2cccc(C(F)(F)F)c2)cc1 ZINC000005447912 570662740 /nfs/dbraw/zinc/66/27/40/570662740.db2.gz NNKPCCYTSDZNCM-UHFFFAOYSA-N 0 0 380.395 4.196 40 0 GIABRN Cc1[nH]nc2c1[C@H](c1ccc(OCc3ccccc3)cc1)S[C@@H](C)C(=O)N2 ZINC000006678674 570672732 /nfs/dbraw/zinc/67/27/32/570672732.db2.gz KPGHTTADVZYSAZ-LIRRHRJNSA-N 0 0 379.485 4.460 40 0 GIABRN COc1ccccc1[C@H]1S[C@@H](C)C(=O)Nc2c1c(C)nn2-c1ccc(F)cc1 ZINC000006679160 570673155 /nfs/dbraw/zinc/67/31/55/570673155.db2.gz QLTHGCMUXQYKPH-ORAYPTAESA-N 0 0 397.475 4.492 40 0 GIABRN COc1cccc([C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)c1 ZINC000006678923 570673230 /nfs/dbraw/zinc/67/32/30/570673230.db2.gz DZMWITBXMIBFAR-IFXJQAMLSA-N 0 0 379.485 4.353 40 0 GIABRN Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1cccc(O)c1)S[C@H](C)C(=O)N2 ZINC000006679214 570673440 /nfs/dbraw/zinc/67/34/40/570673440.db2.gz RFDAXSNLIWXUDK-XIKOKIGWSA-N 0 0 383.448 4.189 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@H]3c2cccc(F)c2)cc1 ZINC000006679283 570673639 /nfs/dbraw/zinc/67/36/39/570673639.db2.gz ZVFKMGMRZHQTPN-DJJJIMSYSA-N 0 0 397.475 4.492 40 0 GIABRN C[C@@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccc(Cl)cc3)c2)C1 ZINC000006680886 570674790 /nfs/dbraw/zinc/67/47/90/570674790.db2.gz QBILVISKLPEJMC-GFCCVEGCSA-N 0 0 398.937 4.074 40 0 GIABRN CCN1C(=O)C(=Cc2ccc(OCc3cccc(F)c3)c(Cl)c2)NC1=S ZINC000409006829 570692593 /nfs/dbraw/zinc/69/25/93/570692593.db2.gz MBDWTYJECRMRIN-YBEGLDIGSA-N 0 0 390.867 4.136 40 0 GIABRN CCOC(=O)C1C=Nc2cc(-c3ccc(OC)cc3)nn2[C@@H]1c1ccccc1 ZINC000409026827 570694469 /nfs/dbraw/zinc/69/44/69/570694469.db2.gz ZCQVBYOSKCVWMM-OAQYLSRUSA-N 0 0 375.428 4.021 40 0 GIABRN COc1ccc(C(=O)Nc2nc3c(s2)CCc2cc(OC)c(C)cc2-3)cc1 ZINC000409053551 570696090 /nfs/dbraw/zinc/69/60/90/570696090.db2.gz ZLUYKTWIULMQLV-UHFFFAOYSA-N 0 0 380.469 4.487 40 0 GIABRN CCOc1cc2c(cc1[C@@H]1[C@@H](c3ccccn3)N=C3SC[C@H](CC)N31)OCO2 ZINC000260766048 570704299 /nfs/dbraw/zinc/70/42/99/570704299.db2.gz IURPESXPDIBJPM-CJMONDIMSA-N 0 0 397.500 4.188 40 0 GIABRN COc1cccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c1OC(C)C ZINC000260775170 570705168 /nfs/dbraw/zinc/70/51/68/570705168.db2.gz PPWNVTGPKAKARE-MDASCCDHSA-N 0 0 383.517 4.467 40 0 GIABRN Cc1cc(C)cc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000005200175 570731766 /nfs/dbraw/zinc/73/17/66/570731766.db2.gz MFQQIOFWHHJFJI-UHFFFAOYSA-N 0 0 392.421 4.050 40 0 GIABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)o2)c1 ZINC000005294651 570733097 /nfs/dbraw/zinc/73/30/97/570733097.db2.gz VATAJJIGXMDKSJ-UHFFFAOYSA-N 0 0 383.473 4.305 40 0 GIABRN C[C@@H](CCc1ccccc1)NC(=O)c1cccc(I)c1 ZINC000005674135 570735392 /nfs/dbraw/zinc/73/53/92/570735392.db2.gz CIOPFQQWXUEIAF-ZDUSSCGKSA-N 0 0 379.241 4.042 40 0 GIABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(F)cc2)cc1 ZINC000006630401 570748005 /nfs/dbraw/zinc/74/80/05/570748005.db2.gz UUTVQTBSKGEPQF-UHFFFAOYSA-N 0 0 378.403 4.244 40 0 GIABRN CC[C@](Br)(C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)CC ZINC000096518729 570754724 /nfs/dbraw/zinc/75/47/24/570754724.db2.gz UPSRNLRVOYOLQO-GFCCVEGCSA-N 0 0 388.110 4.112 40 0 GIABRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2cc(Cl)ccc2C)CC1=O ZINC000007406799 570759174 /nfs/dbraw/zinc/75/91/74/570759174.db2.gz XOEPHONOAZJYAO-LBPRGKRZSA-N 0 0 393.270 4.302 40 0 GIABRN Cc1ccccc1CN1CCO[C@@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 ZINC000257199600 570759559 /nfs/dbraw/zinc/75/95/59/570759559.db2.gz AABJAEJOKCUZDU-OAQYLSRUSA-N 0 0 378.451 4.241 40 0 GIABRN Cc1ccc(OCC(=O)N2CCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)cc1 ZINC000257201479 570760195 /nfs/dbraw/zinc/76/01/95/570760195.db2.gz AHVUPQJBSAHOHL-NRFANRHFSA-N 0 0 394.446 4.455 40 0 GIABRN Cc1ncoc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257212734 570761723 /nfs/dbraw/zinc/76/17/23/570761723.db2.gz CERZJTIFLPMWQH-OAHLLOKOSA-N 0 0 385.851 4.235 40 0 GIABRN CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccccc1C ZINC000007971334 570763704 /nfs/dbraw/zinc/76/37/04/570763704.db2.gz ZBYMWECIOJAVKI-UHFFFAOYSA-N 0 0 396.516 4.321 40 0 GIABRN CC(C)Oc1cccc(CCCNS(=O)(=O)Cc2c(F)cccc2Cl)c1 ZINC000013648768 570766842 /nfs/dbraw/zinc/76/68/42/570766842.db2.gz LZACUOZLZHNCBB-UHFFFAOYSA-N 0 0 399.915 4.319 40 0 GIABRN CC(C)c1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)[nH]n1 ZINC000257237705 570767453 /nfs/dbraw/zinc/76/74/53/570767453.db2.gz HHSNEFFSEHEERO-INIZCTEOSA-N 0 0 396.466 4.271 40 0 GIABRN Cc1noc(C)c1-c1ccc([C@H]2CCCN(C(=O)Nc3cccnc3)C2)nc1 ZINC000257248358 570769888 /nfs/dbraw/zinc/76/98/88/570769888.db2.gz JDICAECAHFIFJX-KRWDZBQOSA-N 0 0 377.448 4.160 40 0 GIABRN Cc1nccc([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)n1 ZINC000257258477 570771539 /nfs/dbraw/zinc/77/15/39/570771539.db2.gz KUDMTEMNGPMHEM-INIZCTEOSA-N 0 0 377.444 4.123 40 0 GIABRN COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(Cl)c4)OCC[C@@]31C2 ZINC000257262467 570772088 /nfs/dbraw/zinc/77/20/88/570772088.db2.gz LLMFPYPALZKGFK-XUKPVSMISA-N 0 0 391.939 4.375 40 0 GIABRN COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)c4scnc4C)C3)o2)cc1 ZINC000257270943 570773307 /nfs/dbraw/zinc/77/33/07/570773307.db2.gz MWGPCANVMGGMJH-MRXNPFEDSA-N 0 0 397.500 4.059 40 0 GIABRN CN(C)C(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)C2CC2)CC1 ZINC000257271896 570773550 /nfs/dbraw/zinc/77/35/50/570773550.db2.gz NAFWKCRSKKXAJM-UHFFFAOYSA-N 0 0 390.527 4.003 40 0 GIABRN CCc1onc(C)c1-c1cccc(C2CCN(C(=O)c3ccncc3)CC2)n1 ZINC000257272953 570773806 /nfs/dbraw/zinc/77/38/06/570773806.db2.gz NEOWCCPSECGRSL-UHFFFAOYSA-N 0 0 376.460 4.022 40 0 GIABRN Cc1cnc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)cn1 ZINC000257274044 570773864 /nfs/dbraw/zinc/77/38/64/570773864.db2.gz NJIRTHCKJYAKJD-IBGZPJMESA-N 0 0 396.878 4.385 40 0 GIABRN COc1cccc(Cc2ccc([C@H]3CCCN(c4cc(C)nc(C)n4)C3)nc2)c1 ZINC000257281299 570775145 /nfs/dbraw/zinc/77/51/45/570775145.db2.gz OONFPZZHCBVOOK-NRFANRHFSA-N 0 0 388.515 4.472 40 0 GIABRN CCCc1cc(C(=O)NCc2cccc(-c3n[nH]cc3-c3ccncc3)c2)no1 ZINC000257286777 570776062 /nfs/dbraw/zinc/77/60/62/570776062.db2.gz PNABTYANYOUYCB-UHFFFAOYSA-N 0 0 387.443 4.009 40 0 GIABRN Cc1nnc([C@@]2(C)CCC[N@H+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)C2)o1 ZINC000257288296 570776521 /nfs/dbraw/zinc/77/65/21/570776521.db2.gz PTQPPZXEGZQMCQ-QHCPKHFHSA-N 0 0 391.471 4.297 40 0 GIABRN CCc1nccn1CC(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257293874 570776869 /nfs/dbraw/zinc/77/68/69/570776869.db2.gz QROMNGFKCGWBMC-GOSISDBHSA-N 0 0 398.894 4.041 40 0 GIABRN CCc1nccn1CC(=O)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257293875 570776964 /nfs/dbraw/zinc/77/69/64/570776964.db2.gz QROMNGFKCGWBMC-SFHVURJKSA-N 0 0 398.894 4.041 40 0 GIABRN COC(=O)c1ccc([C@H]2C[C@@](C)(NC(=O)C(C)C)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1 ZINC000257292159 570777035 /nfs/dbraw/zinc/77/70/35/570777035.db2.gz QKGIAASJPIYIQG-PVIGCVSNSA-N 0 0 387.520 4.270 40 0 GIABRN O=C(c1ncccc1O)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257294737 570777379 /nfs/dbraw/zinc/77/73/79/570777379.db2.gz QVMKHNFYUARPNA-OAHLLOKOSA-N 0 0 397.862 4.039 40 0 GIABRN O=C(c1cccnn1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257307600 570779045 /nfs/dbraw/zinc/77/90/45/570779045.db2.gz SZKPQFRIMHTSKH-GOSISDBHSA-N 0 0 382.851 4.076 40 0 GIABRN CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(NC(C)=O)cc4)OCC[C@@]31C2 ZINC000257312862 570779767 /nfs/dbraw/zinc/77/97/67/570779767.db2.gz UPWGNZLMAJWHAF-CZRIRQFQSA-N 0 0 398.547 4.444 40 0 GIABRN Cc1cncnc1[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000257312733 570779918 /nfs/dbraw/zinc/77/99/18/570779918.db2.gz UPHXDJFVQMGWAI-IBGZPJMESA-N 0 0 377.444 4.470 40 0 GIABRN CCN(c1ccccc1)[C@@H]1COC2(C1)CCN(C(=O)c1cc(C(C)C)no1)CC2 ZINC000257313732 570780283 /nfs/dbraw/zinc/78/02/83/570780283.db2.gz UTWUIADTURZEKW-IBGZPJMESA-N 0 0 397.519 4.088 40 0 GIABRN O=C(c1ccnnc1)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257316264 570780438 /nfs/dbraw/zinc/78/04/38/570780438.db2.gz VEWGKDKBDDKVMN-SFHVURJKSA-N 0 0 382.851 4.076 40 0 GIABRN O=C(c1cccc(=O)[nH]1)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257321471 570781308 /nfs/dbraw/zinc/78/13/08/570781308.db2.gz WBVJPWCZGIQIGI-HNNXBMFYSA-N 0 0 397.862 4.039 40 0 GIABRN Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000010112022 570781937 /nfs/dbraw/zinc/78/19/37/570781937.db2.gz TXRIAYNYBKQAPN-OAHLLOKOSA-N 0 0 388.533 4.155 40 0 GIABRN Cc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1NS(C)(=O)=O ZINC000010112026 570781946 /nfs/dbraw/zinc/78/19/46/570781946.db2.gz BSEQHNLMYHBIOD-OAHLLOKOSA-N 0 0 388.533 4.155 40 0 GIABRN Cc1nccnc1[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257328064 570782397 /nfs/dbraw/zinc/78/23/97/570782397.db2.gz XDYNHJLEWYCFLK-INIZCTEOSA-N 0 0 377.444 4.123 40 0 GIABRN CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(Br)cc4)OCC[C@]13C2 ZINC000257336102 570783469 /nfs/dbraw/zinc/78/34/69/570783469.db2.gz YNEARKLMXVBOEY-JQLJIJSLSA-N 0 0 392.337 4.468 40 0 GIABRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(C(C)C)cc1 ZINC000010119827 570784044 /nfs/dbraw/zinc/78/40/44/570784044.db2.gz CAIHIDVWOUCKEK-UHFFFAOYSA-N 0 0 393.472 4.237 40 0 GIABRN Cc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2n1 ZINC000257338072 570784113 /nfs/dbraw/zinc/78/41/13/570784113.db2.gz YVSGKLLTEYGAMD-UHFFFAOYSA-N 0 0 384.402 4.171 40 0 GIABRN O=C(CCc1nc(-c2ccccc2Cl)no1)NCc1ccc(Cl)cc1 ZINC000169890439 570786502 /nfs/dbraw/zinc/78/65/02/570786502.db2.gz OIUPTQLRWDTEHH-UHFFFAOYSA-N 0 0 376.243 4.292 40 0 GIABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)N(C)Cc1ccccc1 ZINC000010314930 570787732 /nfs/dbraw/zinc/78/77/32/570787732.db2.gz BKKDITOOSFXHGR-UHFFFAOYSA-N 0 0 394.496 4.068 40 0 GIABRN Cc1ccc(N(CCCC(=O)Nc2cccc(C)c2C)S(C)(=O)=O)cc1C ZINC000010326643 570789296 /nfs/dbraw/zinc/78/92/96/570789296.db2.gz PKOCARUUPMFQGG-UHFFFAOYSA-N 0 0 388.533 4.105 40 0 GIABRN CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1OCC ZINC000010543966 570791865 /nfs/dbraw/zinc/79/18/65/570791865.db2.gz BNBAKBOLMNUVJD-ZDUSSCGKSA-N 0 0 383.897 4.177 40 0 GIABRN CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1OCC ZINC000010543964 570792048 /nfs/dbraw/zinc/79/20/48/570792048.db2.gz BNBAKBOLMNUVJD-CYBMUJFWSA-N 0 0 383.897 4.177 40 0 GIABRN C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000014737857 570857746 /nfs/dbraw/zinc/85/77/46/570857746.db2.gz NVMUCTCXMFGBIX-GJZGRUSLSA-N 0 0 376.294 4.354 40 0 GIABRN Cc1cccc(NC(=O)CSc2nnc(COc3ccc(C)cc3C)n2C)c1 ZINC000013879462 570864886 /nfs/dbraw/zinc/86/48/86/570864886.db2.gz TZGAWJXHXORYLJ-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2)o1 ZINC000003602734 570877929 /nfs/dbraw/zinc/87/79/29/570877929.db2.gz WHMCRSFVKIBPPK-UHFFFAOYSA-N 0 0 375.837 4.129 40 0 GIABRN CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccccc1Br ZINC000072228976 570878520 /nfs/dbraw/zinc/87/85/20/570878520.db2.gz KUJOUIGUIUBRIY-UHFFFAOYSA-N 0 0 385.265 4.153 40 0 GIABRN CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1cccc(Br)c1 ZINC000072228973 570878562 /nfs/dbraw/zinc/87/85/62/570878562.db2.gz KRCQJPCQCGPMEL-UHFFFAOYSA-N 0 0 385.265 4.153 40 0 GIABRN O=C(OCc1c(F)cccc1Cl)C1CN(Cc2c(F)cccc2Cl)C1 ZINC000072203828 570878664 /nfs/dbraw/zinc/87/86/64/570878664.db2.gz YLEFLRUQJVERJA-UHFFFAOYSA-N 0 0 386.225 4.447 40 0 GIABRN CCOC(=O)c1cccc(NC(=O)c2cc(Br)cc(C)c2OC)c1 ZINC000014291396 570882055 /nfs/dbraw/zinc/88/20/55/570882055.db2.gz YUAXFLOQGRFBQE-UHFFFAOYSA-N 0 0 392.249 4.195 40 0 GIABRN CCCC(=O)Nc1ccccc1C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000014405161 570891109 /nfs/dbraw/zinc/89/11/09/570891109.db2.gz XTNPHFVWVRSDHN-UHFFFAOYSA-N 0 0 376.460 4.480 40 0 GIABRN COC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1C ZINC000014400223 570891428 /nfs/dbraw/zinc/89/14/28/570891428.db2.gz FLMSPXRBGFWHSI-AWEZNQCLSA-N 0 0 375.852 4.458 40 0 GIABRN O=C(NC[C@H]1CC[C@H](c2ncncc2-c2ccncc2)CC1)[C@H]1CC=CCC1 ZINC000257294328 570903380 /nfs/dbraw/zinc/90/33/80/570903380.db2.gz QTQJGVISNMRANV-IHPCNDPISA-N 0 0 376.504 4.285 40 0 GIABRN CC(C)C(=O)NC[C@H]1CC[C@H](c2c3cccnc3sc2C(=O)N(C)C)CC1 ZINC000257315594 570906915 /nfs/dbraw/zinc/90/69/15/570906915.db2.gz VCBUGHLMGBBBPL-SHTZXODSSA-N 0 0 387.549 4.044 40 0 GIABRN Cc1[nH]c2nn(-c3ccc(F)cc3)c(=O)c-2c(O)c1Cc1cccc2ccccc21 ZINC000017081671 570915906 /nfs/dbraw/zinc/91/59/06/570915906.db2.gz PGWHDFMSGCHHPC-UHFFFAOYSA-N 0 0 399.425 4.199 40 0 GIABRN Cc1ncc(CN2CC[C@@]23CCCN(C(=O)c2ccc4ccccc4c2)C3)s1 ZINC000585101895 570927436 /nfs/dbraw/zinc/92/74/36/570927436.db2.gz KPBPEMOMPGBDHE-HSZRJFAPSA-N 0 0 391.540 4.485 40 0 GIABRN Cc1ncc(CN2CC[C@]23CCCN(C(=O)C2(c4ccc(C)cc4)CC2)C3)s1 ZINC000585102060 570928078 /nfs/dbraw/zinc/92/80/78/570928078.db2.gz OZWSRGWKJGTAFO-QFIPXVFZSA-N 0 0 395.572 4.059 40 0 GIABRN CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C)C1 ZINC000019521937 570928371 /nfs/dbraw/zinc/92/83/71/570928371.db2.gz WEHINQOISBBJEH-DMDPSCGWSA-N 0 0 381.398 4.166 40 0 GIABRN CCCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1cccs1)C2 ZINC000585107111 570934712 /nfs/dbraw/zinc/93/47/12/570934712.db2.gz PMPLNUGLDKNYFZ-QFIPXVFZSA-N 0 0 392.528 4.295 40 0 GIABRN CC(C)CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)CC(C)C)C2 ZINC000585107291 570934934 /nfs/dbraw/zinc/93/49/34/570934934.db2.gz SMJRNQDEWFIFFU-HSZRJFAPSA-N 0 0 380.536 4.212 40 0 GIABRN Cc1ccccc1C(=O)N1CCC[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 ZINC000306131532 570939857 /nfs/dbraw/zinc/93/98/57/570939857.db2.gz KIALBWFRMFDQFR-FQEVSTJZSA-N 0 0 397.482 4.120 40 0 GIABRN O=C1c2cccn2[C@H]2CN(Cc3ccc(Cl)cc3)C[C@H]2N1Cc1cccs1 ZINC000306133849 570940861 /nfs/dbraw/zinc/94/08/61/570940861.db2.gz MXUJVUKRPRTQBC-VQTJNVASSA-N 0 0 397.931 4.285 40 0 GIABRN Cc1ccc(-c2cnc3n2C2(CCN(C(=O)c4ccccc4)CC2)COC3)cc1 ZINC000306135337 570942022 /nfs/dbraw/zinc/94/20/22/570942022.db2.gz ONXRZBIPOZBEEK-UHFFFAOYSA-N 0 0 387.483 4.020 40 0 GIABRN Cc1nn(C)cc1/C=C1\C[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@@H]1O ZINC000036612947 570943007 /nfs/dbraw/zinc/94/30/07/570943007.db2.gz YTAQORRMQHRTNQ-YZNJTAJYSA-N 0 0 378.516 4.345 40 0 GIABRN O=C(c1ccco1)N1CCC[C@@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 ZINC000306137617 570943280 /nfs/dbraw/zinc/94/32/80/570943280.db2.gz RBKCLQGPQAWCLA-QGZVFWFLSA-N 0 0 390.418 4.148 40 0 GIABRN Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccc(-c5cccs5)cn4n3)C2)o1 ZINC000306142604 570945768 /nfs/dbraw/zinc/94/57/68/570945768.db2.gz XEHNCXSOBRZELZ-INIZCTEOSA-N 0 0 392.484 4.379 40 0 GIABRN O=C(NC(=S)Nc1ccc(C(=O)OC2CCCCC2)cc1)c1cccs1 ZINC000020412281 570946377 /nfs/dbraw/zinc/94/63/77/570946377.db2.gz CZTGQXFXUOHJAI-UHFFFAOYSA-N 0 0 388.514 4.364 40 0 GIABRN O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2CN(Cc3ccsc3)C[C@@H]21 ZINC000306143937 570946403 /nfs/dbraw/zinc/94/64/03/570946403.db2.gz YRGKKANZQLVBBM-LPHOPBHVSA-N 0 0 387.551 4.232 40 0 GIABRN CCOC(=O)c1cn(Cc2ccccc2F)c2cc(C(F)(F)F)ccc2c1=O ZINC000199728257 570951385 /nfs/dbraw/zinc/95/13/85/570951385.db2.gz RKZZCJSYYLGZEQ-UHFFFAOYSA-N 0 0 393.336 4.384 40 0 GIABRN CCOC(=O)c1cn(Cc2ccccc2)c2ccc(C(F)(F)F)cc2c1=O ZINC000199737757 570951505 /nfs/dbraw/zinc/95/15/05/570951505.db2.gz OMVGPQWJYBOWAZ-UHFFFAOYSA-N 0 0 375.346 4.245 40 0 GIABRN Cc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)C4CCC4)C3)cc2)cc1 ZINC000019212342 570960880 /nfs/dbraw/zinc/96/08/80/570960880.db2.gz SVEZANUNDCYHDB-RUZDIDTESA-N 0 0 390.527 4.099 40 0 GIABRN C[C@H]1C[C@@H](NC(=O)[C@]2(C)CC2(Br)Br)CC(C)(C)C1 ZINC000004651072 570988650 /nfs/dbraw/zinc/98/86/50/570988650.db2.gz WSBIMAVZWQQWPS-CWSCBRNRSA-N 0 0 381.152 4.214 40 0 GIABRN COc1cc(CN2Cc3cc4ccc(C)cc4nc3OC2=O)cc(OC)c1OC ZINC000019234306 570965065 /nfs/dbraw/zinc/96/50/65/570965065.db2.gz SYGBRQTXCKSBCG-UHFFFAOYSA-N 0 0 394.427 4.084 40 0 GIABRN Cc1cccc(O[C@H](C)c2nnc(NC(=O)CCc3ccncc3)s2)c1C ZINC000019235688 570965963 /nfs/dbraw/zinc/96/59/63/570965963.db2.gz UGCFROUBXZRFKG-OAHLLOKOSA-N 0 0 382.489 4.261 40 0 GIABRN Cc1cccc(C)c1OCC(=O)N1CCC[C@H]1c1nnc(-c2ccsc2)o1 ZINC000019236054 570966294 /nfs/dbraw/zinc/96/62/94/570966294.db2.gz GFIOTYMKFSBOGM-INIZCTEOSA-N 0 0 383.473 4.157 40 0 GIABRN Cc1ccccc1OCCC(=O)N1CCC[C@H]1c1nnc(-c2ccsc2)o1 ZINC000019237383 570966758 /nfs/dbraw/zinc/96/67/58/570966758.db2.gz ZMBSKLVVNSQZDY-INIZCTEOSA-N 0 0 383.473 4.239 40 0 GIABRN Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3c(F)cccc3F)C2)n1 ZINC000019286818 570970192 /nfs/dbraw/zinc/97/01/92/570970192.db2.gz MKVFMFQRXAWSPO-INIZCTEOSA-N 0 0 394.425 4.145 40 0 GIABRN Nc1cccc(Cl)c1N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000072230249 570971323 /nfs/dbraw/zinc/97/13/23/570971323.db2.gz BVOIUVVOUVNOJD-UHFFFAOYSA-N 0 0 384.694 4.191 40 0 GIABRN c1ccc(-c2cnc3c(c2)[C@H](NC2CC2)n2nc(-c4ccncc4)nc2S3)cc1 ZINC000019374051 570981637 /nfs/dbraw/zinc/98/16/37/570981637.db2.gz NWPLIXNBSRFXGW-HXUWFJFHSA-N 0 0 398.495 4.166 40 0 GIABRN CC(=O)N1CCc2nc([C@H]3CCCCN3Cc3ccc(C(C)C)cc3)ncc2C1 ZINC000019453266 570986345 /nfs/dbraw/zinc/98/63/45/570986345.db2.gz FSHCJJLJJOMQCF-HSZRJFAPSA-N 0 0 392.547 4.232 40 0 GIABRN C[C@H](CC(=O)N1CCC(c2onc3c2C[C@H](C(C)(C)C)CC3)CC1)n1ccnc1 ZINC000019455118 570986642 /nfs/dbraw/zinc/98/66/42/570986642.db2.gz CDHIAGYAFZYRON-SJLPKXTDSA-N 0 0 398.551 4.379 40 0 GIABRN C[C@H](NC(=O)[C@@H](c1ccccc1)C1CCCCC1)c1nnc(-c2ccncc2)[nH]1 ZINC000019458030 570988022 /nfs/dbraw/zinc/98/80/22/570988022.db2.gz WDCBYMXYOZXSBE-JXFKEZNVSA-N 0 0 389.503 4.408 40 0 GIABRN Cc1nn(C)cc1C(=O)Nc1c(C)nn(Cc2ccc(Cl)c(Cl)c2)c1C ZINC000002754200 570988920 /nfs/dbraw/zinc/98/89/20/570988920.db2.gz MODYQDLUEPEDKV-UHFFFAOYSA-N 0 0 392.290 4.149 40 0 GIABRN Cc1ccc(Cl)c(OCn2ccc(C(=O)Nc3ccc(Cl)cn3)n2)c1 ZINC000002798373 570989371 /nfs/dbraw/zinc/98/93/71/570989371.db2.gz IKWIGWDTOIPTSW-UHFFFAOYSA-N 0 0 377.231 4.182 40 0 GIABRN COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2C)ccc1O ZINC000002105107 570989494 /nfs/dbraw/zinc/98/94/94/570989494.db2.gz JEKYBNHMSILYQO-ZFJSRUIDSA-N 0 0 395.499 4.218 40 0 GIABRN C[C@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N21 ZINC000002801608 570989594 /nfs/dbraw/zinc/98/95/94/570989594.db2.gz LOXDNFDQUOVHBE-APPDUMDISA-N 0 0 381.888 4.441 40 0 GIABRN CCC(=O)N1CC[C@@](Cc2ccc(-c3ccccc3)cc2)(C(=O)N2CCCC2)C1 ZINC000019498400 570990994 /nfs/dbraw/zinc/99/09/94/570990994.db2.gz LQOHHUDLPNKQNF-VWLOTQADSA-N 0 0 390.527 4.147 40 0 GIABRN CCCCCCOc1ccc([C@H]2C(C(=O)OC(C)C)C(C)=Nc3ncnn32)cc1 ZINC000004071198 570991999 /nfs/dbraw/zinc/99/19/99/570991999.db2.gz AECDFRHMBYASDY-FQEVSTJZSA-N 0 0 398.507 4.478 40 0 GIABRN CC[C@@H]1c2ccc(C)n2CCN1C(=O)CCCc1nc(-c2ccccc2)no1 ZINC000019500984 570992525 /nfs/dbraw/zinc/99/25/25/570992525.db2.gz YHAWLKLDBRZIQT-GOSISDBHSA-N 0 0 378.476 4.163 40 0 GIABRN CCCC(=O)N1CCC[C@@](Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)C1 ZINC000019501238 570992868 /nfs/dbraw/zinc/99/28/68/570992868.db2.gz MWSOANYWIMLTBE-VWLOTQADSA-N 0 0 392.543 4.393 40 0 GIABRN CCC[C@H](C(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)n1nc(C)cc1C ZINC000019501787 570993297 /nfs/dbraw/zinc/99/32/97/570993297.db2.gz MWXUIOYZGIJGBB-WOJBJXKFSA-N 0 0 385.508 4.222 40 0 GIABRN Cn1cc(-c2ccncc2)c(-c2ccc(CNC(=O)c3ccccc3F)cc2)n1 ZINC000585164868 570993421 /nfs/dbraw/zinc/99/34/21/570993421.db2.gz MBAVWQRJJMKONY-UHFFFAOYSA-N 0 0 386.430 4.218 40 0 GIABRN Cc1nn(C)cc1/C=C1/C[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O ZINC000118916082 570994254 /nfs/dbraw/zinc/99/42/54/570994254.db2.gz AWVQXSVXAYIKEY-OAAFAEGBSA-N 0 0 398.591 4.486 40 0 GIABRN Cc1nn(C[C@H](C)C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c(C)c1C ZINC000019556892 571003887 /nfs/dbraw/zinc/00/38/87/571003887.db2.gz JXTGEXMWNFQFGE-NYHFZMIOSA-N 0 0 399.535 4.119 40 0 GIABRN COc1ccc([C@@H]2N[C@H](c3ccccn3)Cc3cc(OC)c(OC)cc32)cc1 ZINC000019557800 571003906 /nfs/dbraw/zinc/00/39/06/571003906.db2.gz MIEWNDFWZMLDSB-REWPJTCUSA-N 0 0 376.456 4.084 40 0 GIABRN Cc1nn(C[C@@H](C)C(=O)Nc2ncc(Cc3ccccc3F)s2)c(C)c1C ZINC000019557024 571003938 /nfs/dbraw/zinc/00/39/38/571003938.db2.gz NXRLWBREPGIVDT-GFCCVEGCSA-N 0 0 386.496 4.270 40 0 GIABRN Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2Cc2cccc(F)c2)c1C ZINC000019558572 571004407 /nfs/dbraw/zinc/00/44/07/571004407.db2.gz QOWTWJKHAXISOU-IBGZPJMESA-N 0 0 395.482 4.291 40 0 GIABRN Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000019561030 571005397 /nfs/dbraw/zinc/00/53/97/571005397.db2.gz IOVWSQHEVPBTHQ-ZDUSSCGKSA-N 0 0 379.485 4.330 40 0 GIABRN C[C@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)CCc1ccccc1 ZINC000019575448 571011521 /nfs/dbraw/zinc/01/15/21/571011521.db2.gz HBMMUYDBFPOTSH-CQSZACIVSA-N 0 0 375.394 4.193 40 0 GIABRN Cc1nn(C)c(C)c1CN(C(=O)[C@@H](C)Oc1cccc(C(F)(F)F)c1)C1CC1 ZINC000019577760 571012264 /nfs/dbraw/zinc/01/22/64/571012264.db2.gz CYMACNQWKCMSFV-CQSZACIVSA-N 0 0 395.425 4.014 40 0 GIABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)C2CCC2)C1 ZINC000019591041 571018641 /nfs/dbraw/zinc/01/86/41/571018641.db2.gz LRMYTEJXFLTWME-QHCPKHFHSA-N 0 0 396.556 4.113 40 0 GIABRN COc1ccccc1-c1noc(CCC(=O)Nc2cccc3ccc(C)nc32)n1 ZINC000019656168 571023365 /nfs/dbraw/zinc/02/33/65/571023365.db2.gz ZKCYGQRVOKDHBR-UHFFFAOYSA-N 0 0 388.427 4.173 40 0 GIABRN CCn1c(C)nc2cc(NC(=O)C3(c4ccc(C)cc4)CCOCC3)ccc21 ZINC000019657451 571023780 /nfs/dbraw/zinc/02/37/80/571023780.db2.gz CFSVDEASKNJXCZ-UHFFFAOYSA-N 0 0 377.488 4.360 40 0 GIABRN Cc1nn2cnnc2c(C)c1CCC(=O)Nc1cccc(-c2ccc(F)cc2)c1 ZINC000019658434 571024560 /nfs/dbraw/zinc/02/45/60/571024560.db2.gz COIMVFIUVLBEEY-UHFFFAOYSA-N 0 0 389.434 4.119 40 0 GIABRN CN(C(=O)c1ccc(-n2cnnc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000019659392 571024915 /nfs/dbraw/zinc/02/49/15/571024915.db2.gz XOOBBEGCJLYVMU-UHFFFAOYSA-N 0 0 395.875 4.321 40 0 GIABRN COc1cc(C)c(-c2csc(NC(=O)[C@@H](C)n3nc(C)cc3C)n2)cc1C ZINC000019660618 571025888 /nfs/dbraw/zinc/02/58/88/571025888.db2.gz UVMCOZHZNGWVQB-OAHLLOKOSA-N 0 0 384.505 4.449 40 0 GIABRN Cc1cc(C)cc(C2(C(=O)N(C)CCOc3ccc(F)cc3)CCOCC2)c1 ZINC000019662086 571026198 /nfs/dbraw/zinc/02/61/98/571026198.db2.gz LJNDWLNYKUPBOL-UHFFFAOYSA-N 0 0 385.479 4.028 40 0 GIABRN COc1ccc([C@@H](NC(=O)C2(c3cccc(C)c3)CCOCC2)C2CC2)cc1 ZINC000019662523 571026465 /nfs/dbraw/zinc/02/64/65/571026465.db2.gz PNRUADLSUOLXRN-QFIPXVFZSA-N 0 0 379.500 4.319 40 0 GIABRN Cc1ccc(C(=O)N(Cc2ccccn2)C[C@H]2CCCO2)cc1N1CCCCC1 ZINC000019663955 571027117 /nfs/dbraw/zinc/02/71/17/571027117.db2.gz OWIUYVZMIBZDOU-JOCHJYFZSA-N 0 0 393.531 4.202 40 0 GIABRN Cc1nn(C)cc1C(=O)N1CCC[C@@H]1c1cc(Cc2ccccc2C)cc(C)n1 ZINC000019690868 571029199 /nfs/dbraw/zinc/02/91/99/571029199.db2.gz SFEUXVPJQIGLTC-HSZRJFAPSA-N 0 0 388.515 4.308 40 0 GIABRN CNc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019691322 571029642 /nfs/dbraw/zinc/02/96/42/571029642.db2.gz GPXWGDHISWUXEI-UHFFFAOYSA-N 0 0 385.511 4.276 40 0 GIABRN COc1ccc2oc(C(=O)Nc3ccc([C@H]4CCc5nncn5C4)cc3)cc2c1 ZINC000019699144 571031038 /nfs/dbraw/zinc/03/10/38/571031038.db2.gz CTFAAPZHOSGXHL-HNNXBMFYSA-N 0 0 388.427 4.015 40 0 GIABRN Cn1c(NC(=O)c2cc(-n3cccn3)ccc2Cl)ncc1-c1ccc(F)cc1 ZINC000019715177 571036812 /nfs/dbraw/zinc/03/68/12/571036812.db2.gz PKBMEOVYHNGETQ-UHFFFAOYSA-N 0 0 395.825 4.318 40 0 GIABRN CCc1nc2ccccc2n1[C@@H](C)C(=O)Nc1cnn(Cc2ccccc2F)c1 ZINC000019718457 571041249 /nfs/dbraw/zinc/04/12/49/571041249.db2.gz XVMFIFDUWQSYSR-HNNXBMFYSA-N 0 0 391.450 4.182 40 0 GIABRN CCOc1c(Cl)cc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1OC ZINC000005367632 817578648 /nfs/dbraw/zinc/57/86/48/817578648.db2.gz XEVRKLDAVDOESK-UHFFFAOYSA-N 0 0 383.227 4.440 40 0 GIABRN COc1cccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c1OC(C)C ZINC000006345629 817679551 /nfs/dbraw/zinc/67/95/51/817679551.db2.gz CAHVMGNFUXWDJX-LFIBNONCSA-N 0 0 386.835 4.233 40 0 GIABRN COc1ccc(C(=O)CSc2n[nH]c(-c3cc(Cl)ccc3OC)n2)cc1 ZINC000006464040 817694578 /nfs/dbraw/zinc/69/45/78/817694578.db2.gz LRZHENDKSNVXRW-UHFFFAOYSA-N 0 0 389.864 4.117 40 0 GIABRN CCCCNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1 ZINC000006629012 817712129 /nfs/dbraw/zinc/71/21/29/817712129.db2.gz NBSKIQMXZNIRTM-UHFFFAOYSA-N 0 0 394.544 4.061 40 0 GIABRN CCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(CC)cc1 ZINC000006629623 817712551 /nfs/dbraw/zinc/71/25/51/817712551.db2.gz MDQQRMVYNWETCI-UHFFFAOYSA-N 0 0 380.517 4.115 40 0 GIABRN CCCN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O ZINC000006629562 817712676 /nfs/dbraw/zinc/71/26/76/817712676.db2.gz IYWIPHPSWNJJOI-XNTDXEJSSA-N 0 0 385.401 4.228 40 0 GIABRN CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)cc1 ZINC000006650960 817715587 /nfs/dbraw/zinc/71/55/87/817715587.db2.gz QCIOSXFVLUNPBV-VMOJBDSFSA-N 0 0 391.489 4.244 40 0 GIABRN CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCc1ccc(C)cc1 ZINC000006711227 817716827 /nfs/dbraw/zinc/71/68/27/817716827.db2.gz MORNOZLLJLNTHH-UHFFFAOYSA-N 0 0 380.517 4.388 40 0 GIABRN CCOC(=O)c1ccc(COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)cc1 ZINC000006956269 817729037 /nfs/dbraw/zinc/72/90/37/817729037.db2.gz KPOGBWASJJEDGQ-UHFFFAOYSA-N 0 0 378.380 4.293 40 0 GIABRN N#C/C(=C/c1cccn1-c1cccc(Br)c1)C(=O)NC1CCCC1 ZINC000006969932 817731872 /nfs/dbraw/zinc/73/18/72/817731872.db2.gz ZGWABMVQDNMPAG-KAMYIIQDSA-N 0 0 384.277 4.206 40 0 GIABRN O=C(NCc1ccncc1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000007365793 817825033 /nfs/dbraw/zinc/82/50/33/817825033.db2.gz JJSNXJVBXSHXEH-UHFFFAOYSA-N 0 0 389.842 4.154 40 0 GIABRN Cc1cc(O[C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc(C)c1Cl ZINC000007504680 817856972 /nfs/dbraw/zinc/85/69/72/817856972.db2.gz ZJJHNMUGEUHGOY-INIZCTEOSA-N 0 0 390.886 4.212 40 0 GIABRN Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 ZINC000007881458 817948844 /nfs/dbraw/zinc/94/88/44/817948844.db2.gz YKLOYLGPOLJZFE-DOTOQJQBSA-N 0 0 399.874 4.124 40 0 GIABRN C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)c1ccccc1 ZINC000007881996 817949540 /nfs/dbraw/zinc/94/95/40/817949540.db2.gz VCNIUNDWEIFCFB-TZMCWYRMSA-N 0 0 377.271 4.224 40 0 GIABRN CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000007928372 817961552 /nfs/dbraw/zinc/96/15/52/817961552.db2.gz CNDGCSAZZXLKLG-ZDUSSCGKSA-N 0 0 391.254 4.188 40 0 GIABRN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3c(CC)cccc3CC)C2)cc1 ZINC000007928178 817961652 /nfs/dbraw/zinc/96/16/52/817961652.db2.gz PMXATHOEXNGMSO-SFHVURJKSA-N 0 0 380.488 4.202 40 0 GIABRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5OC(=O)[C@H]3[C@H]5C4)cc2)cc1C ZINC000007929543 817962863 /nfs/dbraw/zinc/96/28/63/817962863.db2.gz HGBZAHBNBFWQOV-FLVLUOKASA-N 0 0 377.440 4.232 40 0 GIABRN O=C(COC(=O)c1ccccc1F)Nc1ccc(Br)cc1Cl ZINC000007939750 817965321 /nfs/dbraw/zinc/96/53/21/817965321.db2.gz DIZSKFMCGRWGOV-UHFFFAOYSA-N 0 0 386.604 4.037 40 0 GIABRN CC(C)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)cc1 ZINC000008221933 818019763 /nfs/dbraw/zinc/01/97/63/818019763.db2.gz HPXZKLAWGPWPHV-PWDRBQJJSA-N 0 0 386.517 4.247 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc2ccccc21 ZINC000014428947 818245520 /nfs/dbraw/zinc/24/55/20/818245520.db2.gz VMGJHPBTOBVGCK-UHFFFAOYSA-N 0 0 394.496 4.185 40 0 GIABRN C[C@]1(C(=O)NCC[C@H](c2ccc(F)cc2)[C@@H]2CCOC(C)(C)C2)CCCO1 ZINC000019461082 818592569 /nfs/dbraw/zinc/59/25/69/818592569.db2.gz IDOIPAWMUBQQKH-SFGWALBWSA-N 0 0 377.500 4.190 40 0 GIABRN O=C(c1ccccc1)N1CCO[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000019693170 818599429 /nfs/dbraw/zinc/59/94/29/818599429.db2.gz POPXFIUWOCDPQI-SFHVURJKSA-N 0 0 379.847 4.011 40 0 GIABRN O=C(Cc1ccccc1)N1CC[C@@H](c2cc(COc3ccc(Cl)cc3)n[nH]2)C1 ZINC000019696185 818600154 /nfs/dbraw/zinc/60/01/54/818600154.db2.gz BBBGRGOZMNKSEL-QGZVFWFLSA-N 0 0 395.890 4.201 40 0 GIABRN CC(C)Oc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccccc2)C1=O ZINC000021270712 818670607 /nfs/dbraw/zinc/67/06/07/818670607.db2.gz IGBIRFCTESBYNE-ATVHPVEESA-N 0 0 398.509 4.020 40 0 GIABRN Cc1cc(C)nc(SCC(=O)Nc2ccc(Br)cc2Cl)n1 ZINC000033794553 821060338 /nfs/dbraw/zinc/06/03/38/821060338.db2.gz FOYFOTMSCABJJK-UHFFFAOYSA-N 0 0 386.702 4.240 40 0 GIABRN CCOc1cc(C(=O)NCCCOC)cc(Cl)c1OCc1ccccc1 ZINC000033785470 821060406 /nfs/dbraw/zinc/06/04/06/821060406.db2.gz PNYNTBVBLHNWPX-UHFFFAOYSA-N 0 0 377.868 4.084 40 0 GIABRN CCCOc1ccccc1CCCNC(=O)CCc1ccc(OC)c(OC)c1 ZINC000219281557 222593646 /nfs/dbraw/zinc/59/36/46/222593646.db2.gz KMXDDUXIPDITKO-UHFFFAOYSA-N 0 0 385.504 4.174 40 0 GIABRN Cc1cc(C)cc(O[C@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000219552939 222596068 /nfs/dbraw/zinc/59/60/68/222596068.db2.gz UCBXYUSGVZMDDS-CQSZACIVSA-N 0 0 385.851 4.091 40 0 GIABRN CC[C@H](Oc1ccccc1OC)C(=O)NCCCc1ccc(OC(C)C)cc1 ZINC000219561202 222596451 /nfs/dbraw/zinc/59/64/51/222596451.db2.gz YJQMNOANSYFJRQ-FQEVSTJZSA-N 0 0 385.504 4.389 40 0 GIABRN CC(C)Oc1cccc(CNC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 ZINC000219680445 222597581 /nfs/dbraw/zinc/59/75/81/222597581.db2.gz BKEXAOUZKKDQMH-AWEZNQCLSA-N 0 0 392.293 4.320 40 0 GIABRN Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 ZINC000219687727 222598479 /nfs/dbraw/zinc/59/84/79/222598479.db2.gz MWEAXRZMYPUYRY-HUUCEWRRSA-N 0 0 392.293 4.109 40 0 GIABRN CC[C@H](C(=O)Nc1cc(C)ccc1C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220529267 222601926 /nfs/dbraw/zinc/60/19/26/222601926.db2.gz VTSQGNSGIPIVLS-LJQANCHMSA-N 0 0 388.533 4.104 40 0 GIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 ZINC000222410795 222607446 /nfs/dbraw/zinc/60/74/46/222607446.db2.gz PBJMTJNRWDPTBN-OAQYLSRUSA-N 0 0 384.495 4.009 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222426193 222608095 /nfs/dbraw/zinc/60/80/95/222608095.db2.gz VSSRBNYZMZSEIO-IBGZPJMESA-N 0 0 394.559 4.388 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 ZINC000222457321 222608315 /nfs/dbraw/zinc/60/83/15/222608315.db2.gz KBWFCAATOMAUQW-QFIPXVFZSA-N 0 0 380.532 4.178 40 0 GIABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl ZINC000222578116 222610534 /nfs/dbraw/zinc/61/05/34/222610534.db2.gz VEQGDONLNOMDJH-AWEZNQCLSA-N 0 0 393.314 4.089 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222625869 222610875 /nfs/dbraw/zinc/61/08/75/222610875.db2.gz USWLQCZRPDZENB-QGZVFWFLSA-N 0 0 384.495 4.045 40 0 GIABRN O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000006248702 230844466 /nfs/dbraw/zinc/84/44/66/230844466.db2.gz MFZGLVMPWYLRCJ-UHFFFAOYSA-N 0 0 388.467 4.355 40 0 GIABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc(Cl)c1 ZINC000014153630 230887290 /nfs/dbraw/zinc/88/72/90/230887290.db2.gz GNGCJZFXZKGOGP-UHFFFAOYSA-N 0 0 393.896 4.159 40 0 GIABRN CCOc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2Cl)cc1OCC ZINC000010543999 230875342 /nfs/dbraw/zinc/87/53/42/230875342.db2.gz XPNIGGAPIHYRRX-AWEZNQCLSA-N 0 0 397.924 4.318 40 0 GIABRN Cc1ccc(CN(C(=O)Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222783756 222614484 /nfs/dbraw/zinc/61/44/84/222614484.db2.gz IODSETGSVGUORA-IBGZPJMESA-N 0 0 380.532 4.178 40 0 GIABRN COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1C(C)C ZINC000222820618 222615935 /nfs/dbraw/zinc/61/59/35/222615935.db2.gz KUHNTOUCEFGLBJ-SFTDATJTSA-N 0 0 392.528 4.262 40 0 GIABRN CCc1ccc(O[C@H](CC)C(=O)NCc2nc(-c3cccc(C)c3)no2)cc1 ZINC000222900863 222617988 /nfs/dbraw/zinc/61/79/88/222617988.db2.gz WTNHLRBLJCTWFL-LJQANCHMSA-N 0 0 379.460 4.081 40 0 GIABRN CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)cc1 ZINC000222886069 222618138 /nfs/dbraw/zinc/61/81/38/222618138.db2.gz PFFIGHQVHMUYMP-SFHVURJKSA-N 0 0 375.852 4.485 40 0 GIABRN COCCn1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c1C ZINC000106696719 231018581 /nfs/dbraw/zinc/01/85/81/231018581.db2.gz APCVWABKYLHESX-WQRHYEAKSA-N 0 0 388.464 4.127 40 0 GIABRN Cc1cccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)c1C ZINC000113956090 231023708 /nfs/dbraw/zinc/02/37/08/231023708.db2.gz PRRLTKJBPARIOR-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccnc3)ccc2C)c1C ZINC000408546537 231056556 /nfs/dbraw/zinc/05/65/56/231056556.db2.gz UCYAMRUDKKLLGO-UHFFFAOYSA-N 0 0 395.484 4.060 40 0 GIABRN COc1nc(SC)ncc1/C=C1/SCCN1C(=O)c1ccc(Cl)cc1 ZINC000225239315 231033365 /nfs/dbraw/zinc/03/33/65/231033365.db2.gz VVXJWUUXIWCUGU-NTEUORMPSA-N 0 0 393.921 4.048 40 0 GIABRN Cc1ccc(C2(NC(=S)Nc3ccc(C(=O)N(C)C)cc3)CCCC2)cc1 ZINC000225871348 231036224 /nfs/dbraw/zinc/03/62/24/231036224.db2.gz DABLQNWXCCLIKV-UHFFFAOYSA-N 0 0 381.545 4.453 40 0 GIABRN Cc1nc(SCc2nc(=O)c3c4c(sc3[nH]2)CCCC4)nc2c1CCC2 ZINC000408582005 231066283 /nfs/dbraw/zinc/06/62/83/231066283.db2.gz KXMDNEKVVQDBFO-UHFFFAOYSA-N 0 0 384.530 4.155 40 0 GIABRN CSc1ccc(S(=O)(=O)NC2CCCCCC2)cc1NC(=O)C(C)C ZINC000222937842 222619193 /nfs/dbraw/zinc/61/91/93/222619193.db2.gz ZPERQKWICWVGAH-UHFFFAOYSA-N 0 0 384.567 4.004 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1Cl ZINC000222936326 222619332 /nfs/dbraw/zinc/61/93/32/222619332.db2.gz GNWAKQHXPAYWCL-CYBMUJFWSA-N 0 0 379.909 4.267 40 0 GIABRN O=C(NCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000408708190 231101150 /nfs/dbraw/zinc/10/11/50/231101150.db2.gz VRWWWDKRYZKZGP-UHFFFAOYSA-N 0 0 396.849 4.366 40 0 GIABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cccc(F)c1 ZINC000408621206 231083692 /nfs/dbraw/zinc/08/36/92/231083692.db2.gz LQIBKZNILZVSGJ-UHFFFAOYSA-N 0 0 397.269 4.032 40 0 GIABRN Cc1ccc(NC(=O)CN2c3ccc(C)cc3-c3ccccc3S2(=O)=O)cc1 ZINC000408624208 231085827 /nfs/dbraw/zinc/08/58/27/231085827.db2.gz GEMWRCWWRJFMIP-UHFFFAOYSA-N 0 0 392.480 4.118 40 0 GIABRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 ZINC000408624632 231086485 /nfs/dbraw/zinc/08/64/85/231086485.db2.gz VHXCVZMRZIOPFD-UHFFFAOYSA-N 0 0 398.919 4.398 40 0 GIABRN Cc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1C ZINC000408660900 231092204 /nfs/dbraw/zinc/09/22/04/231092204.db2.gz LZHURQIISCYNEH-AWEZNQCLSA-N 0 0 388.261 4.024 40 0 GIABRN O=C(Cc1ccccc1)Oc1ccccc1/C=C1/N=C(Cc2ccccc2)OC1=O ZINC000408847326 231120979 /nfs/dbraw/zinc/12/09/79/231120979.db2.gz VBFSAMBDRQJOQF-HEHNFIMWSA-N 0 0 397.430 4.374 40 0 GIABRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2cc(Cl)ccc2O)S1 ZINC000408807236 231116839 /nfs/dbraw/zinc/11/68/39/231116839.db2.gz KSVRFPXEFALBKD-UHFFFAOYSA-N 0 0 375.857 4.126 40 0 GIABRN CCOc1ccccc1[C@@H](c1c[nH]c2ccccc21)C1C(=O)OC(C)(C)OC1=O ZINC000409121654 231166001 /nfs/dbraw/zinc/16/60/01/231166001.db2.gz VIRISUPVOSFBNE-IBGZPJMESA-N 0 0 393.439 4.151 40 0 GIABRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O ZINC000409153748 231172130 /nfs/dbraw/zinc/17/21/30/231172130.db2.gz DZRJQRUSLHCZMV-MHWRWJLKSA-N 0 0 384.432 4.118 40 0 GIABRN COCc1cc(C)nc2sc(C(=O)Nc3cc(OC)ccc3Cl)c(N)c21 ZINC000409063453 231153008 /nfs/dbraw/zinc/15/30/08/231153008.db2.gz LAYMMQKUPDUPAL-UHFFFAOYSA-N 0 0 391.880 4.248 40 0 GIABRN COc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)c2c(OC)cccc12 ZINC000409078439 231156096 /nfs/dbraw/zinc/15/60/96/231156096.db2.gz HYBMVMCJGNSBDO-LGMDPLHJSA-N 0 0 396.512 4.247 40 0 GIABRN O=C1NC(=Cc2cc(Br)cs2)C(=O)N1c1ccc(Cl)cc1 ZINC000409168787 231173516 /nfs/dbraw/zinc/17/35/16/231173516.db2.gz SVPIYZLJQIBCOR-WUXMJOGZSA-N 0 0 383.654 4.261 40 0 GIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C)c(C)c1 ZINC000222979088 222620725 /nfs/dbraw/zinc/62/07/25/222620725.db2.gz INIBRSHXNBKNAA-HXUWFJFHSA-N 0 0 396.531 4.016 40 0 GIABRN CCOc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2C)C1=O ZINC000409176209 231174727 /nfs/dbraw/zinc/17/47/27/231174727.db2.gz YSUGFADHCNUSQO-LDADJPATSA-N 0 0 396.468 4.069 40 0 GIABRN COCCCN1C(=O)S/C(=C/c2cc(C)n(Cc3ccccc3)c2C)C1=O ZINC000409229709 231184085 /nfs/dbraw/zinc/18/40/85/231184085.db2.gz UAEPECGWNRVNNC-CPNJWEJPSA-N 0 0 384.501 4.226 40 0 GIABRN Cc1ccc(NC(=O)COc2ccc(C(=S)N3CCCC3)cc2Cl)cc1 ZINC000409246192 231187347 /nfs/dbraw/zinc/18/73/47/231187347.db2.gz GFELIKLDQJIFKS-UHFFFAOYSA-N 0 0 388.920 4.437 40 0 GIABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(F)cc2)cc1 ZINC000409326549 231190066 /nfs/dbraw/zinc/19/00/66/231190066.db2.gz CBRJGGMKRCDUIM-UHFFFAOYSA-N 0 0 398.459 4.212 40 0 GIABRN Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 ZINC000409410234 231201822 /nfs/dbraw/zinc/20/18/22/231201822.db2.gz LQFCVESELNYJIB-OAHLLOKOSA-N 0 0 394.924 4.058 40 0 GIABRN Cc1ccc(N([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)cc1 ZINC000409410936 231201932 /nfs/dbraw/zinc/20/19/32/231201932.db2.gz ASWWWCHVBDHPHI-KRWDZBQOSA-N 0 0 388.533 4.220 40 0 GIABRN Cc1ccc(C(=O)NC(C(C)C)C(C)C)cc1S(=O)(=O)Nc1ccccc1 ZINC000409412351 231203052 /nfs/dbraw/zinc/20/30/52/231203052.db2.gz UWCHLJCQSZTLDN-UHFFFAOYSA-N 0 0 388.533 4.206 40 0 GIABRN COc1ccc(CC(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1C ZINC000223016821 222623730 /nfs/dbraw/zinc/62/37/30/222623730.db2.gz VMIKFXBLDOQKDN-UHFFFAOYSA-N 0 0 393.487 4.210 40 0 GIABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 ZINC000223075776 222625160 /nfs/dbraw/zinc/62/51/60/222625160.db2.gz WAWYOFURTKCNFV-RTWAWAEBSA-N 0 0 398.576 4.397 40 0 GIABRN CCc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2CC)cc1 ZINC000408648175 529675936 /nfs/dbraw/zinc/67/59/36/529675936.db2.gz VPISWCCHBAPTOF-UHFFFAOYSA-N 0 0 396.487 4.102 40 0 GIABRN CCc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(CC)cc2)cc1 ZINC000409100588 529676446 /nfs/dbraw/zinc/67/64/46/529676446.db2.gz VBZCVEKKRGMBNA-UHFFFAOYSA-N 0 0 380.517 4.431 40 0 GIABRN CCc1ccc(O)c(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2OC)c1 ZINC000408623822 529693413 /nfs/dbraw/zinc/69/34/13/529693413.db2.gz SGZACWWEZNCKSZ-UHFFFAOYSA-N 0 0 399.299 4.397 40 0 GIABRN COc1ccc(C)cc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C ZINC000223470343 222634075 /nfs/dbraw/zinc/63/40/75/222634075.db2.gz GCFMSNUTHRVIMZ-ZHZULCJRSA-N 0 0 390.439 4.315 40 0 GIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1F ZINC000223655007 222638929 /nfs/dbraw/zinc/63/89/29/222638929.db2.gz JRXBECNAZKJEFJ-QFIPXVFZSA-N 0 0 398.522 4.400 40 0 GIABRN CC(C)(C)c1ccccc1OCCNC(=O)COc1cccc2c1CCCC2 ZINC000223734695 222641872 /nfs/dbraw/zinc/64/18/72/222641872.db2.gz RMUMSFYKUGNMAO-UHFFFAOYSA-N 0 0 381.516 4.437 40 0 GIABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)o1 ZINC000223882449 222644951 /nfs/dbraw/zinc/64/49/51/222644951.db2.gz CDWNWOLZYGXWRM-PMACEKPBSA-N 0 0 378.501 4.226 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 ZINC000223878384 222645000 /nfs/dbraw/zinc/64/50/00/222645000.db2.gz OUJSEFJEIZVMJM-CQSZACIVSA-N 0 0 393.314 4.089 40 0 GIABRN Cc1nc(NC(=S)NCc2ccc(F)cc2)c(Br)cc1Cl ZINC000223945819 222646256 /nfs/dbraw/zinc/64/62/56/222646256.db2.gz QDIPMLSECFENFF-UHFFFAOYSA-N 0 0 388.693 4.432 40 0 GIABRN CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000224021374 222650226 /nfs/dbraw/zinc/65/02/26/222650226.db2.gz NCDKOQNCGVHWRS-GOSISDBHSA-N 0 0 394.581 4.116 40 0 GIABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000224154571 222651085 /nfs/dbraw/zinc/65/10/85/222651085.db2.gz MOIRJEJTIICSKD-QHCPKHFHSA-N 0 0 392.543 4.404 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 ZINC000224164385 222651604 /nfs/dbraw/zinc/65/16/04/222651604.db2.gz TYMRTMXDPVULEF-JOCHJYFZSA-N 0 0 380.532 4.180 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl ZINC000224266700 222653683 /nfs/dbraw/zinc/65/36/83/222653683.db2.gz XADZRVAWVZLRPB-FQEVSTJZSA-N 0 0 386.923 4.134 40 0 GIABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 ZINC000224242353 222653936 /nfs/dbraw/zinc/65/39/36/222653936.db2.gz SBOSJARCJXXZAA-HSZRJFAPSA-N 0 0 392.543 4.404 40 0 GIABRN O=C(NCC1=CCCCC1)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000224546283 222656980 /nfs/dbraw/zinc/65/69/80/222656980.db2.gz SRDPVPLHXKBQAS-UHFFFAOYSA-N 0 0 391.353 4.278 40 0 GIABRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)[nH]c1C ZINC000224556320 222658266 /nfs/dbraw/zinc/65/82/66/222658266.db2.gz HNGZBICSOCSYRY-WOJBJXKFSA-N 0 0 378.501 4.212 40 0 GIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F ZINC000224666168 222659843 /nfs/dbraw/zinc/65/98/43/222659843.db2.gz KQJRRXKWZTXHTK-QFIPXVFZSA-N 0 0 398.522 4.256 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 ZINC000224703389 222661661 /nfs/dbraw/zinc/66/16/61/222661661.db2.gz IHNQGZJCBURHKU-KRWDZBQOSA-N 0 0 386.923 4.134 40 0 GIABRN COC(=O)c1c(NC(=O)Cc2ccc(Cl)cc2F)sc2c1CCCC2 ZINC000224936712 222665125 /nfs/dbraw/zinc/66/51/25/222665125.db2.gz DAGVOQKNAUHPSX-UHFFFAOYSA-N 0 0 381.856 4.387 40 0 GIABRN CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000224874834 222665687 /nfs/dbraw/zinc/66/56/87/222665687.db2.gz ZVIXBZJRTUZNFA-UHFFFAOYSA-N 0 0 398.322 4.290 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)ccc1C ZINC000225000300 222666096 /nfs/dbraw/zinc/66/60/96/222666096.db2.gz LHFRRUBZHPPMBB-PMACEKPBSA-N 0 0 396.531 4.014 40 0 GIABRN COc1ccc(OCCNC(=O)CSCc2cccc3ccccc32)cc1 ZINC000224954148 222666386 /nfs/dbraw/zinc/66/63/86/222666386.db2.gz CWHRPAGGALZROC-UHFFFAOYSA-N 0 0 381.497 4.277 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1 ZINC000224975012 222666412 /nfs/dbraw/zinc/66/64/12/222666412.db2.gz DNGSUGITSKBGQL-RTBURBONSA-N 0 0 398.572 4.252 40 0 GIABRN COc1ccccc1CCCNC(=O)CSCc1ccc(Cl)cc1F ZINC000224945123 222666926 /nfs/dbraw/zinc/66/69/26/222666926.db2.gz NWFIHROHPMBWJX-UHFFFAOYSA-N 0 0 381.900 4.470 40 0 GIABRN CCOC(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225052507 222667901 /nfs/dbraw/zinc/66/79/01/222667901.db2.gz XLQHCIVNDACOFA-UHFFFAOYSA-N 0 0 397.496 4.161 40 0 GIABRN COC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225044923 222667963 /nfs/dbraw/zinc/66/79/63/222667963.db2.gz UOZNQVVZBRSZBF-UHFFFAOYSA-N 0 0 397.496 4.332 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 ZINC000225054002 222668056 /nfs/dbraw/zinc/66/80/56/222668056.db2.gz FAFVMGTVXLWMRV-RTBURBONSA-N 0 0 398.572 4.419 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 ZINC000225052279 222668188 /nfs/dbraw/zinc/66/81/88/222668188.db2.gz GJFIDOVKOYRUTH-WOJBJXKFSA-N 0 0 380.532 4.178 40 0 GIABRN CC(C)n1c2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2sc1=O ZINC000225159754 222670579 /nfs/dbraw/zinc/67/05/79/222670579.db2.gz XVZFGLCHVSAFKT-UHFFFAOYSA-N 0 0 395.484 4.023 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225184845 222671191 /nfs/dbraw/zinc/67/11/91/222671191.db2.gz XMIWRXRRACGNKF-QHCPKHFHSA-N 0 0 394.559 4.488 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000225225246 222673241 /nfs/dbraw/zinc/67/32/41/222673241.db2.gz JRJUNPMYACEFBZ-HXUWFJFHSA-N 0 0 386.923 4.216 40 0 GIABRN O=C(CCc1ccc(Cl)c(Cl)c1)NCc1cccc(N2CCCC2=O)c1 ZINC000225336390 222674760 /nfs/dbraw/zinc/67/47/60/222674760.db2.gz WGXPPRMZIKTLCX-UHFFFAOYSA-N 0 0 391.298 4.369 40 0 GIABRN Cc1ccc(CN(C(=O)CSCc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225516721 222681091 /nfs/dbraw/zinc/68/10/91/222681091.db2.gz KYUMHFMDJRBXIP-LJQANCHMSA-N 0 0 398.572 4.170 40 0 GIABRN Cc1cccc(CSCCCNC(=S)Nc2ccc3c(c2)OCCO3)c1 ZINC000225603837 222685166 /nfs/dbraw/zinc/68/51/66/222685166.db2.gz PBGKVVDBCRUTLK-UHFFFAOYSA-N 0 0 388.558 4.376 40 0 GIABRN O=C1CCCN1Cc1ccc(CNC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000225648985 222687469 /nfs/dbraw/zinc/68/74/69/222687469.db2.gz YEBQZICMBHUXGG-UHFFFAOYSA-N 0 0 391.899 4.088 40 0 GIABRN COc1ccc(-c2nnc(NC(=O)CSCc3cccc(C)c3)s2)cc1 ZINC000225698268 222691167 /nfs/dbraw/zinc/69/11/67/222691167.db2.gz IFRQDXZCGGXJEY-UHFFFAOYSA-N 0 0 385.514 4.394 40 0 GIABRN Cc1cc(C)cc(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)c1 ZINC000225738896 222693592 /nfs/dbraw/zinc/69/35/92/222693592.db2.gz IQLJOTZACCZAIF-UHFFFAOYSA-N 0 0 385.261 4.020 40 0 GIABRN O=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1cccc(C(F)(F)F)c1 ZINC000225734560 222693654 /nfs/dbraw/zinc/69/36/54/222693654.db2.gz ZGWXXWIDHBWALZ-UHFFFAOYSA-N 0 0 380.753 4.312 40 0 GIABRN O=C(Cn1ccc(=O)c2ccc(Br)cc21)Nc1cccc(Cl)c1 ZINC000225739241 222693789 /nfs/dbraw/zinc/69/37/89/222693789.db2.gz GINPHPJJGOOGAJ-UHFFFAOYSA-N 0 0 391.652 4.056 40 0 GIABRN O=C(Cn1ccc(=O)c2cc(F)ccc21)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000225750531 222694949 /nfs/dbraw/zinc/69/49/49/222694949.db2.gz VISYKPXEUWKJOI-UHFFFAOYSA-N 0 0 398.743 4.452 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@H](C)CC(C)(C)c2ccccc2)c(C)c1C ZINC000225787287 222696749 /nfs/dbraw/zinc/69/67/49/222696749.db2.gz ZYLVOWWEPQNGLY-OAHLLOKOSA-N 0 0 375.534 4.347 40 0 GIABRN Cc1ccccc1NC(=O)CCc1nc(-c2ccc(Br)cc2)no1 ZINC000225818336 222698849 /nfs/dbraw/zinc/69/88/49/222698849.db2.gz OSBLVRDQANSNJX-UHFFFAOYSA-N 0 0 386.249 4.379 40 0 GIABRN CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 ZINC000225818603 222698853 /nfs/dbraw/zinc/69/88/53/222698853.db2.gz MQEPPGHKZQIWOT-QVKFZJNVSA-N 0 0 379.497 4.430 40 0 GIABRN COc1cccc(-c2noc(CCC(=O)Nc3ccc(C(F)(F)F)cc3)n2)c1 ZINC000225824130 222699241 /nfs/dbraw/zinc/69/92/41/222699241.db2.gz CXGVHSHYNJIGRS-UHFFFAOYSA-N 0 0 391.349 4.335 40 0 GIABRN COC(=O)c1cc(NC(=S)NC2(c3ccncc3)CCCC2)ccc1Cl ZINC000225861496 222700902 /nfs/dbraw/zinc/70/09/02/222700902.db2.gz KEULMNOWOAUOPB-UHFFFAOYSA-N 0 0 389.908 4.278 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)c2cc3ccc(OC)cc3oc2=O)cc1 ZINC000226043456 222704779 /nfs/dbraw/zinc/70/47/79/222704779.db2.gz HKOXPADJBOCZQV-UHFFFAOYSA-N 0 0 395.411 4.011 40 0 GIABRN COC(=O)[C@H](C)COc1ccc(Oc2nnc(-c3cccc(F)c3)s2)cc1 ZINC000255187337 222744104 /nfs/dbraw/zinc/74/41/04/222744104.db2.gz CVCHKKLUSWCAFA-GFCCVEGCSA-N 0 0 388.420 4.324 40 0 GIABRN Cc1nccc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)n1 ZINC000257207974 222753381 /nfs/dbraw/zinc/75/33/81/222753381.db2.gz BKDVUPLGLJZTNT-LJQANCHMSA-N 0 0 396.878 4.385 40 0 GIABRN CN(C)c1nc([C@@H]2CCCCN2C(=O)c2cc(F)cc(F)c2)cn2cccc12 ZINC000257225801 222757176 /nfs/dbraw/zinc/75/71/76/222757176.db2.gz FHWJGCUUSIRHAS-SFHVURJKSA-N 0 0 384.430 4.046 40 0 GIABRN CC(C)[C@@H]1C[C@@]2(CCCN(C(=O)c3ncc[nH]3)C2)CO[C@H]1c1ccc(F)cc1 ZINC000257215037 222754723 /nfs/dbraw/zinc/75/47/23/222754723.db2.gz COJOXIPBEZHMOR-CNNODRBYSA-N 0 0 385.483 4.205 40 0 GIABRN CC(C)n1nccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 ZINC000257211244 222755413 /nfs/dbraw/zinc/75/54/13/222755413.db2.gz BYBYCTVWUZHCAS-IBGZPJMESA-N 0 0 378.476 4.410 40 0 GIABRN O=C(c1cnccn1)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257215883 222755952 /nfs/dbraw/zinc/75/59/52/222755952.db2.gz CSAZJCKYFKSIAC-GOSISDBHSA-N 0 0 382.851 4.076 40 0 GIABRN O=C([O-])c1ccccc1-c1ccc(C[NH+]2CCC(Cc3cnccn3)CC2)cc1 ZINC000257239371 222762453 /nfs/dbraw/zinc/76/24/53/222762453.db2.gz HOZBKCKQHUXSLU-UHFFFAOYSA-N 0 0 387.483 4.297 40 0 GIABRN O=C(N1CCC[C@H]1CCc1ccncc1)C1(Cc2ccccc2F)CCOCC1 ZINC000257290830 222771798 /nfs/dbraw/zinc/77/17/98/222771798.db2.gz QEMQRPJOSFGOCF-NRFANRHFSA-N 0 0 396.506 4.184 40 0 GIABRN COc1cccc(F)c1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@H]3NC(=O)C(C)C ZINC000257326484 222776623 /nfs/dbraw/zinc/77/66/23/222776623.db2.gz WXJGNQJDFQCVMS-HPWIQONQSA-N 0 0 389.511 4.489 40 0 GIABRN Cc1nccc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)n1 ZINC000257335981 222778350 /nfs/dbraw/zinc/77/83/50/222778350.db2.gz YMQJHCIXYUKYPW-MRXNPFEDSA-N 0 0 396.878 4.037 40 0 GIABRN Fc1ccc(Nc2cc(Cl)nc(-c3cccnc3)n2)cc1Br ZINC000329066352 222805319 /nfs/dbraw/zinc/80/53/19/222805319.db2.gz YALJTHBSYIQSCR-UHFFFAOYSA-N 0 0 379.620 4.259 40 0 GIABRN CC[NH+](CC)CCOC(=O)C(O)(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1 ZINC000001768936 212256186 /nfs/dbraw/zinc/25/61/86/212256186.db2.gz FFHJBKPYWJQGBE-UHFFFAOYSA-N 0 0 383.532 4.041 40 0 GIABRN O=C(Nc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1)C(Cl)(Cl)Cl ZINC000001651880 212252058 /nfs/dbraw/zinc/25/20/58/212252058.db2.gz GMKLVPIWJUKZOO-UHFFFAOYSA-N 0 0 398.888 4.304 40 0 GIABRN CCOP(=O)(OCC)c1nc(Cl)nc(Cl)c1SC(F)(F)F ZINC000001613382 212250976 /nfs/dbraw/zinc/25/09/76/212250976.db2.gz KLUCYYLEYSUEII-UHFFFAOYSA-N 0 0 385.131 4.287 40 0 GIABRN O=C1[C@@H](Cc2ccccc2)C(=O)N2c3ccccc3C=C[C@H]2N1c1ccccc1 ZINC000001591656 212250419 /nfs/dbraw/zinc/25/04/19/212250419.db2.gz HELUUHQYJVWQKD-GGAORHGYSA-N 0 0 380.447 4.278 40 0 GIABRN COc1ccc(C(=S)N2CCCCC2)cc1OC(=O)CCc1ccccc1 ZINC000001436788 212244285 /nfs/dbraw/zinc/24/42/85/212244285.db2.gz IMOGBFCNVJKRCB-UHFFFAOYSA-N 0 0 383.513 4.395 40 0 GIABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)c1 ZINC000001093809 212216487 /nfs/dbraw/zinc/21/64/87/212216487.db2.gz ODASYTVILVIWRG-UHFFFAOYSA-N 0 0 389.864 4.341 40 0 GIABRN CC1(C)C[C@@]2(C[C@@H](c3ccc(Cl)cc3)c3ccc(O)cc3O2)NC(=S)N1 ZINC000000908126 212193104 /nfs/dbraw/zinc/19/31/04/212193104.db2.gz RLMGQYYFQOXBIS-JXFKEZNVSA-N 0 0 388.920 4.303 40 0 GIABRN Nc1ccc2nc(SCC(=O)Nc3ccc(Br)cc3)sc2c1 ZINC000000852585 212190530 /nfs/dbraw/zinc/19/05/30/212190530.db2.gz HSNDIJZUSIVDNN-UHFFFAOYSA-N 0 0 394.319 4.372 40 0 GIABRN COC(=O)C1=C(C)N(c2ccccc2)C(C)=C(C(=O)OC)C1c1ccccc1 ZINC000000677372 212173274 /nfs/dbraw/zinc/17/32/74/212173274.db2.gz RVKKBEQUIXKJEV-UHFFFAOYSA-N 0 0 377.440 4.184 40 0 GIABRN Brc1nn(-c2ccccc2)c(Br)c1Br ZINC000000641938 212168357 /nfs/dbraw/zinc/16/83/57/212168357.db2.gz BNEBONHENQLAQO-UHFFFAOYSA-N 0 0 380.865 4.160 40 0 GIABRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@]13O[C@H]3C[C@@H]2c1ccc(=O)oc1 ZINC000027631313 212117779 /nfs/dbraw/zinc/11/77/79/212117779.db2.gz ATLJNLYIJOCWJE-JDZXBWTPSA-N 0 0 384.516 4.258 40 0 GIABRN CCc1ccc2oc(-c3cc(N4C[C@@H](C(=O)OC)CC4=O)ccc3Cl)nc2c1 ZINC000045887614 212119383 /nfs/dbraw/zinc/11/93/83/212119383.db2.gz ZGCJHITZPISQBP-ZDUSSCGKSA-N 0 0 398.846 4.237 40 0 GIABRN Brc1ccc2c(c1)CCN(c1ccnc(NCc3ccccc3)n1)C2 ZINC000329046075 212094798 /nfs/dbraw/zinc/09/47/98/212094798.db2.gz TZUQULFQNBOVNM-UHFFFAOYSA-N 0 0 395.304 4.414 40 0 GIABRN Fc1ccc(Cl)cc1Nc1cc(-c2ccncc2)nc(NC2CCCC2)n1 ZINC000329038142 212094149 /nfs/dbraw/zinc/09/41/49/212094149.db2.gz RRNQGTFEFXMHJY-UHFFFAOYSA-N 0 0 383.858 4.273 40 0 GIABRN FC(F)(F)c1cc(=NNc2ccc(Cl)cc2Cl)[nH]c(NC2CC2)n1 ZINC000329015495 212093953 /nfs/dbraw/zinc/09/39/53/212093953.db2.gz NBPNFNBJMHNUTA-UHFFFAOYSA-N 0 0 378.185 4.237 40 0 GIABRN Cc1ccc(Nc2cc(-c3ccccn3)nc(N[C@@H](CO)C(C)C)n2)cc1Cl ZINC000329016011 212093134 /nfs/dbraw/zinc/09/31/34/212093134.db2.gz NFDZYPIQMGKRKY-IBGZPJMESA-N 0 0 397.910 4.095 40 0 GIABRN CCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccncc2)n1 ZINC000328982115 212092723 /nfs/dbraw/zinc/09/27/23/212092723.db2.gz GYBVMILAKJNINX-UHFFFAOYSA-N 0 0 393.800 4.230 40 0 GIABRN CCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccncc2)n1 ZINC000328982774 212092164 /nfs/dbraw/zinc/09/21/64/212092164.db2.gz HBVVHINDDRNUHS-UHFFFAOYSA-N 0 0 391.422 4.170 40 0 GIABRN CSc1ccccc1Nc1cc(-c2ccccc2)nc(N[C@@H](CO)C(C)C)n1 ZINC000328992604 212091884 /nfs/dbraw/zinc/09/18/84/212091884.db2.gz IXQFIWGXNWUQIP-IBGZPJMESA-N 0 0 394.544 4.460 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)c(F)c2)cc(-c2ccccc2)n1 ZINC000329048372 212095243 /nfs/dbraw/zinc/09/52/43/212095243.db2.gz UJQNNJLPWFPRCE-LJQANCHMSA-N 0 0 384.430 4.016 40 0 GIABRN CSc1ccccc1Nc1cc(-c2ccccn2)nc(NC2CCCC2)n1 ZINC000328977815 212091051 /nfs/dbraw/zinc/09/10/51/212091051.db2.gz FWEBCHGFLPEOMG-UHFFFAOYSA-N 0 0 377.517 4.202 40 0 GIABRN CC(C)c1cc(N2CCc3cc(Cl)ccc3C2)nc(N[C@@H](CO)C(C)C)n1 ZINC000328978778 212090856 /nfs/dbraw/zinc/09/08/56/212090856.db2.gz GAZCENNCOUOVTM-IBGZPJMESA-N 0 0 388.943 4.245 40 0 GIABRN COc1cc(Nc2cc(Cl)nc(-c3ccncc3)n2)c(OC)cc1Cl ZINC000328975106 212090411 /nfs/dbraw/zinc/09/04/11/212090411.db2.gz FJQAXQUHFISITJ-UHFFFAOYSA-N 0 0 377.231 4.028 40 0 GIABRN COc1ccc(OCC(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1 ZINC000072230071 533006069 /nfs/dbraw/zinc/00/60/69/533006069.db2.gz XRSFHICUZNCWCO-JOCHJYFZSA-N 0 0 397.858 4.448 40 0 GIABRN Cc1cc(OCc2nnc(SCC(=O)N3CCCC[C@H]3C)o2)ccc1Cl ZINC000000905459 220464316 /nfs/dbraw/zinc/46/43/16/220464316.db2.gz SRCAWTJGRXKITO-CYBMUJFWSA-N 0 0 395.912 4.104 40 0 GIABRN Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)C3CCCCC3)cc2c1 ZINC000000790376 220459763 /nfs/dbraw/zinc/45/97/63/220459763.db2.gz PNADYEGFUZHOQY-UHFFFAOYSA-N 0 0 389.499 4.341 40 0 GIABRN C[C@H]1CCCN(C(=O)CSc2nnc(-c3cccnc3)n2C2CCCCC2)C1 ZINC000000905225 220465334 /nfs/dbraw/zinc/46/53/34/220465334.db2.gz WSVRWFTWKYMRFZ-INIZCTEOSA-N 0 0 399.564 4.196 40 0 GIABRN Cc1ccc(-n2c(SCC(=O)N3CCC[C@H](C)C3)nnc2-c2ccco2)cc1 ZINC000000919747 220465988 /nfs/dbraw/zinc/46/59/88/220465988.db2.gz HYQQNQDOFBBJNK-INIZCTEOSA-N 0 0 396.516 4.186 40 0 GIABRN COc1cccc(NC(=O)CSc2nc3cc4c(cc3cc2C)OCO4)c1 ZINC000000929998 220466657 /nfs/dbraw/zinc/46/66/57/220466657.db2.gz FKKVEAVIAPJIJP-UHFFFAOYSA-N 0 0 382.441 4.011 40 0 GIABRN Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)Nc3ccccc3C)n2C)cc1 ZINC000000917688 220466857 /nfs/dbraw/zinc/46/68/57/220466857.db2.gz FMSTXAGZSXBXDA-INIZCTEOSA-N 0 0 395.532 4.163 40 0 GIABRN Cc1cc(OCc2nnc(SCC(=O)N(C(C)C)C(C)C)o2)ccc1Cl ZINC000001328708 220487141 /nfs/dbraw/zinc/48/71/41/220487141.db2.gz IXVTYLPKWDINST-UHFFFAOYSA-N 0 0 397.928 4.348 40 0 GIABRN CN(C)c1ccc(NC(=O)CSc2nc(C3CC3)nc3ccccc32)cc1 ZINC000001332703 220487522 /nfs/dbraw/zinc/48/75/22/220487522.db2.gz JCEPKRHNPFTLBJ-UHFFFAOYSA-N 0 0 378.501 4.304 40 0 GIABRN CCOc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C)o4)no3)C2)cc1 ZINC000001364672 220492208 /nfs/dbraw/zinc/49/22/08/220492208.db2.gz PXDKXEKFRTZOLQ-MRXNPFEDSA-N 0 0 381.432 4.057 40 0 GIABRN CC(=O)Nc1cccc(NC(=O)CSc2nc(C(C)C)nc3ccccc32)c1 ZINC000001342987 220488242 /nfs/dbraw/zinc/48/82/42/220488242.db2.gz IBZLHMVZGXCXEA-UHFFFAOYSA-N 0 0 394.500 4.442 40 0 GIABRN Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c1 ZINC000001364545 220491725 /nfs/dbraw/zinc/49/17/25/220491725.db2.gz ZBRCEJSLABUIKZ-UHFFFAOYSA-N 0 0 378.501 4.243 40 0 GIABRN CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(C)cc3)C3CC3)cc2c1 ZINC000001364839 220492026 /nfs/dbraw/zinc/49/20/26/220492026.db2.gz AKJOEPQTJAUTGR-UHFFFAOYSA-N 0 0 391.471 4.432 40 0 GIABRN O=C(c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F)N1CCCC1 ZINC000002475882 220537073 /nfs/dbraw/zinc/53/70/73/220537073.db2.gz XECRKJZXEWDTLZ-KOLCDFICSA-N 0 0 388.777 4.026 40 0 GIABRN Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)N(C(C)C)C(C)C ZINC000002780642 220564293 /nfs/dbraw/zinc/56/42/93/220564293.db2.gz OXRFRKDSLUIVEO-UHFFFAOYSA-N 0 0 384.240 4.008 40 0 GIABRN Cc1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000003479009 220648168 /nfs/dbraw/zinc/64/81/68/220648168.db2.gz LOQWYARNBDCOAM-UHFFFAOYSA-N 0 0 386.517 4.120 40 0 GIABRN Cc1ccc(-c2nnc(SCC(=O)Nc3nc4c(s3)CCCC4)o2)cc1 ZINC000004161014 220686411 /nfs/dbraw/zinc/68/64/11/220686411.db2.gz FQZUVRMRXLWSPK-UHFFFAOYSA-N 0 0 386.502 4.111 40 0 GIABRN CCCCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1cccnc1 ZINC000004161406 220686689 /nfs/dbraw/zinc/68/66/89/220686689.db2.gz YYNKGRATAUTZGR-UHFFFAOYSA-N 0 0 395.532 4.433 40 0 GIABRN CCC(C)(C)NC(=O)[C@@H](CC(C)C)OC(=O)c1nsc(Cl)c1Cl ZINC000004902204 220786297 /nfs/dbraw/zinc/78/62/97/220786297.db2.gz DEIBUGDUFBSBKS-SECBINFHSA-N 0 0 381.325 4.326 40 0 GIABRN CCc1nc2sc3c(c2c2nnc(SCc4ccccn4)n21)CCCC3 ZINC000004848086 220773459 /nfs/dbraw/zinc/77/34/59/220773459.db2.gz XPEADTDTTUOZRF-UHFFFAOYSA-N 0 0 381.530 4.468 40 0 GIABRN COCCN(Cc1cc2cccc(C)c2nc1Cl)C(=O)c1ccc(OC)cc1 ZINC000004880287 220782951 /nfs/dbraw/zinc/78/29/51/220782951.db2.gz VKPNVLIJKUPXER-UHFFFAOYSA-N 0 0 398.890 4.494 40 0 GIABRN CCN(CC)C(=O)Cn1c(C(=O)OC(C)C)cc2c1ccn2-c1ccc(F)cc1 ZINC000004932146 220794417 /nfs/dbraw/zinc/79/44/17/220794417.db2.gz ZOVPAIOALONJNZ-UHFFFAOYSA-N 0 0 399.466 4.005 40 0 GIABRN Cc1ccc([S@@](=O)N(OCc2ccccc2)[S@](=O)c2ccc(C)cc2)cc1 ZINC000005191007 220841612 /nfs/dbraw/zinc/84/16/12/220841612.db2.gz QKWWCEWGWIDZJS-SVBPBHIXSA-N 0 0 399.537 4.483 40 0 GIABRN COC(=O)C1=NC(=S)N[C@@H](c2ccccc2)[C@H]1c1nc2ccccc2s1 ZINC000006379198 220931843 /nfs/dbraw/zinc/93/18/43/220931843.db2.gz ZBRZDYNVWPWRBQ-CABCVRRESA-N 0 0 381.482 4.035 40 0 GIABRN Cc1ccc(NC(=O)NCC2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1 ZINC000006426814 220934093 /nfs/dbraw/zinc/93/40/93/220934093.db2.gz NORCJOVGPXIVMJ-UHFFFAOYSA-N 0 0 380.492 4.369 40 0 GIABRN O=Cc1cn(CC(=O)Nc2ccccc2C(=O)c2ccccc2)c2ccccc12 ZINC000006548458 220940378 /nfs/dbraw/zinc/94/03/78/220940378.db2.gz PZBRENBPKLQCOU-UHFFFAOYSA-N 0 0 382.419 4.324 40 0 GIABRN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)cc1)S[C@@H](C)C(=O)N2 ZINC000006679041 220949443 /nfs/dbraw/zinc/94/94/43/220949443.db2.gz YKYZPBJYYHWWAN-LIRRHRJNSA-N 0 0 379.485 4.358 40 0 GIABRN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)cc1)S[C@H](C)C(=O)N2 ZINC000006679038 220949904 /nfs/dbraw/zinc/94/99/04/220949904.db2.gz YKYZPBJYYHWWAN-AUUYWEPGSA-N 0 0 379.485 4.358 40 0 GIABRN COc1ccc([C@@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)cc1 ZINC000006679361 220950970 /nfs/dbraw/zinc/95/09/70/220950970.db2.gz XKAJOWUWFYBNEJ-LIRRHRJNSA-N 0 0 379.485 4.353 40 0 GIABRN Cc1cccc(-c2noc(CNC(=O)COc3ccc(C(C)(C)C)cc3)n2)c1 ZINC000007759421 221010655 /nfs/dbraw/zinc/01/06/55/221010655.db2.gz VXEJIBWOPTUYRP-UHFFFAOYSA-N 0 0 379.460 4.038 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000008073605 221025646 /nfs/dbraw/zinc/02/56/46/221025646.db2.gz KSIQVGDEIVBSBB-UHFFFAOYSA-N 0 0 380.444 4.023 40 0 GIABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(F)c3)c2)cc1 ZINC000008287901 221034675 /nfs/dbraw/zinc/03/46/75/221034675.db2.gz UDJFMUZVXHWSKB-UHFFFAOYSA-N 0 0 384.432 4.187 40 0 GIABRN O=C(C1CCCCC1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(C3CCCCC3)ccc12 ZINC000008297492 221035659 /nfs/dbraw/zinc/03/56/59/221035659.db2.gz NVWAUBMTAFGTEE-FXAWDEMLSA-N 0 0 382.548 4.422 40 0 biogenic,in-vitro GIABRN COC(=O)C1C(CSc2ccc(C)cc2)=NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000008306811 221035780 /nfs/dbraw/zinc/03/57/80/221035780.db2.gz FICRBMKEZIUIIT-HXUWFJFHSA-N 0 0 396.512 4.185 40 0 GIABRN COc1cccc(CN(C(=O)Nc2ccccc2)c2nnc3n2CCCCC3)c1 ZINC000008494650 221042351 /nfs/dbraw/zinc/04/23/51/221042351.db2.gz GGFLVINRIJQWNL-UHFFFAOYSA-N 0 0 391.475 4.252 40 0 GIABRN [NH3+][C@H](CSC1(c2ccc(F)cc2)c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000008627796 221047309 /nfs/dbraw/zinc/04/73/09/221047309.db2.gz DCRGHKLXVWULPR-HXUWFJFHSA-N 0 0 379.456 4.243 40 0 GIABRN Nc1nc(/C=C/c2ccccc2)cc(-c2cc(/C=C\c3ccccc3)nc(N)n2)n1 ZINC000008655199 221048270 /nfs/dbraw/zinc/04/82/70/221048270.db2.gz RAZLWQPTMTYSMG-HEEUSZRZSA-N 0 0 392.466 4.439 40 0 GIABRN COc1ccc(OC)c(NC(=O)CSc2nc(C3CC3)nc3ccccc32)c1 ZINC000010838548 221108520 /nfs/dbraw/zinc/10/85/20/221108520.db2.gz KBRQPRUYIRYNES-UHFFFAOYSA-N 0 0 395.484 4.255 40 0 GIABRN CCOc1ccc([C@@H](C)NC(=O)COc2ccc(Br)cc2)cc1 ZINC000011170502 221112322 /nfs/dbraw/zinc/11/23/22/221112322.db2.gz GGOVNEZOTZRHFI-CYBMUJFWSA-N 0 0 378.266 4.104 40 0 GIABRN COc1ccc(OCCCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 ZINC000011558632 221116999 /nfs/dbraw/zinc/11/69/99/221116999.db2.gz LVUAVJFNFRTCIS-UHFFFAOYSA-N 0 0 376.456 4.479 40 0 GIABRN CCCCCOc1ccc(S(=O)(=O)n2nnc3ccccc32)cc1C(C)C ZINC000011566274 221117378 /nfs/dbraw/zinc/11/73/78/221117378.db2.gz OHZPFNAAGBXTMF-UHFFFAOYSA-N 0 0 387.505 4.361 40 0 GIABRN CC(C)n1c(CN2CCC[C@H](n3c4ccccc4oc3=O)C2)nc2ccccc21 ZINC000012087608 221149298 /nfs/dbraw/zinc/14/92/98/221149298.db2.gz WFHRYROGZPZSAM-KRWDZBQOSA-N 0 0 390.487 4.362 40 0 GIABRN C[C@H](NC(=O)[C@H](c1ccccc1)C1CCCC1)c1nc(-c2cccnc2)n[nH]1 ZINC000012114769 221151899 /nfs/dbraw/zinc/15/18/99/221151899.db2.gz PYRZRIURCQKAIK-HNAYVOBHSA-N 0 0 375.476 4.018 40 0 GIABRN CC(C)C[C@H](NC(=O)C1C2CC3CC(C2)CC1C3)c1nc2cccnc2n1C ZINC000012114071 221151941 /nfs/dbraw/zinc/15/19/41/221151941.db2.gz HMELAZWFBHLCJS-SWGHUGEVSA-N 0 0 380.536 4.244 40 0 GIABRN Cc1sc2nc(C(C)C)n(C3CCN(C(=O)C(C)C)CC3)c(=O)c2c1C ZINC000012145441 221158570 /nfs/dbraw/zinc/15/85/70/221158570.db2.gz CKAHSDCKFYFNHB-UHFFFAOYSA-N 0 0 375.538 4.018 40 0 GIABRN Cc1nc2ccccc2n1CCC(=O)N1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000012143605 221159017 /nfs/dbraw/zinc/15/90/17/221159017.db2.gz VMAUWDCIMOGKLJ-OAQYLSRUSA-N 0 0 387.487 4.283 40 0 GIABRN CCC[C@H]1c2cccn2CCN1C(=O)c1cc(-c2ccccc2OCC)n[nH]1 ZINC000012147481 221160346 /nfs/dbraw/zinc/16/03/46/221160346.db2.gz WHPOWCOFCUPORF-FQEVSTJZSA-N 0 0 378.476 4.274 40 0 GIABRN CCc1[nH]c2ccc(C(=O)N3CCC(O)(c4cccc(C)c4)CC3)cc2c1C ZINC000012325287 221183103 /nfs/dbraw/zinc/18/31/03/221183103.db2.gz CQCNMJCYWZATKU-UHFFFAOYSA-N 0 0 376.500 4.471 40 0 GIABRN CC(C)C(=O)N1CCC(c2cc3nc(C(C)(C)C)cc(C(F)(F)F)n3n2)CC1 ZINC000012160321 221161660 /nfs/dbraw/zinc/16/16/60/221161660.db2.gz YBNADHUWPXQODX-UHFFFAOYSA-N 0 0 396.457 4.408 40 0 GIABRN COc1ccccc1CCC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1 ZINC000012183179 221162922 /nfs/dbraw/zinc/16/29/22/221162922.db2.gz MHHQXSFRDJQCPA-FQEVSTJZSA-N 0 0 393.462 4.146 40 0 GIABRN CO[C@@H](C(=O)N1CCC(C(=O)c2nc3ccccc3s2)CC1)c1ccccc1 ZINC000012184118 221163442 /nfs/dbraw/zinc/16/34/42/221163442.db2.gz XGEHNQOBLDLHML-HXUWFJFHSA-N 0 0 394.496 4.105 40 0 GIABRN Cc1cc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccco2)on1 ZINC000012184273 221163471 /nfs/dbraw/zinc/16/34/71/221163471.db2.gz OWKNCCQLQFPOOS-UHFFFAOYSA-N 0 0 376.372 4.041 40 0 GIABRN Cc1cc(-c2cnc(NCCc3c(C)noc3C)nc2-c2ccc(C)o2)on1 ZINC000012186333 221163478 /nfs/dbraw/zinc/16/34/78/221163478.db2.gz ITPSUGRPSMUTBI-UHFFFAOYSA-N 0 0 379.420 4.268 40 0 GIABRN Cc1ccc(OCCNc2ncc(-c3cnccn3)c(-c3ccco3)n2)cc1C ZINC000012184668 221163609 /nfs/dbraw/zinc/16/36/09/221163609.db2.gz AURFTEXTUHPXLQ-UHFFFAOYSA-N 0 0 387.443 4.301 40 0 GIABRN COc1ccc(CN(Cc2[nH]c3ccccc3c2Cl)C[C@H](C)O)cc1OC ZINC000012185571 221163855 /nfs/dbraw/zinc/16/38/55/221163855.db2.gz YVJGWTZAKJHIND-AWEZNQCLSA-N 0 0 388.895 4.222 40 0 GIABRN O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1cc2ccccc2c(=O)s1 ZINC000012193505 221165663 /nfs/dbraw/zinc/16/56/63/221165663.db2.gz WVJVCTSPVCOPOJ-UHFFFAOYSA-N 0 0 397.456 4.095 40 0 GIABRN COc1cc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c2ccccc2n1 ZINC000012197088 221166359 /nfs/dbraw/zinc/16/63/59/221166359.db2.gz BSBCKLKCLKEHRI-UHFFFAOYSA-N 0 0 389.455 4.122 40 0 GIABRN CC1(C)Cc2nc(-c3cccnc3)ncc2[C@H](NC(=O)CCc2ccccc2)C1 ZINC000012221089 221169327 /nfs/dbraw/zinc/16/93/27/221169327.db2.gz DHXIUHKQKLBYKL-HXUWFJFHSA-N 0 0 386.499 4.301 40 0 GIABRN Cn1ncc2c1CCc1sc(NC(=O)C(C)(C)c3ccc(Cl)cc3)nc1-2 ZINC000012219986 221169679 /nfs/dbraw/zinc/16/96/79/221169679.db2.gz CPVYRGULMIWOOX-UHFFFAOYSA-N 0 0 386.908 4.212 40 0 GIABRN Cc1oc2ncn3nc([C@H](NC(=O)[C@H](C)c4ccccc4)C(C)C)nc3c2c1C ZINC000012236125 221171649 /nfs/dbraw/zinc/17/16/49/221171649.db2.gz VEZJQMNNPSBMEP-RDTXWAMCSA-N 0 0 391.475 4.104 40 0 GIABRN O=C(NCC1CC1)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1 ZINC000012231713 221171731 /nfs/dbraw/zinc/17/17/31/221171731.db2.gz PHBVOQDEGCYULF-UHFFFAOYSA-N 0 0 385.454 4.497 40 0 GIABRN COc1cc2cc(N)c(C3CCN(C(=O)CC4CCCC4)CC3)nc2cc1OC ZINC000012230863 221171953 /nfs/dbraw/zinc/17/19/53/221171953.db2.gz AQCDXPOCNUFGIL-UHFFFAOYSA-N 0 0 397.519 4.121 40 0 GIABRN O=C(NCc1ccccn1)c1cccc(COc2ccc(Br)cc2)c1 ZINC000012969564 221250014 /nfs/dbraw/zinc/25/00/14/221250014.db2.gz LGLBEVUDQSFLPE-UHFFFAOYSA-N 0 0 397.272 4.353 40 0 GIABRN Cc1cc(-c2cnn(CCNC(=O)[C@H]3CC=CCC3)c2-c2cccs2)on1 ZINC000013226730 221264241 /nfs/dbraw/zinc/26/42/41/221264241.db2.gz OERSKMBZXQIYQT-HNNXBMFYSA-N 0 0 382.489 4.048 40 0 GIABRN O=C1C[C@@H](c2cccs2)Cc2nc3nc(SCc4ccccc4)nn3cc21 ZINC000013634354 221278164 /nfs/dbraw/zinc/27/81/64/221278164.db2.gz LEKCFUCBGMOJIR-AWEZNQCLSA-N 0 0 392.509 4.391 40 0 GIABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1cccc2ccccc21 ZINC000013684154 221281170 /nfs/dbraw/zinc/28/11/70/221281170.db2.gz UEAKANZVUPYUQX-INIZCTEOSA-N 0 0 376.456 4.386 40 0 GIABRN CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716108 221282970 /nfs/dbraw/zinc/28/29/70/221282970.db2.gz MKWKAPXJDIYESU-FQEVSTJZSA-N 0 0 388.533 4.104 40 0 GIABRN CC[C@@H](C(=O)Nc1cccc(C)c1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716213 221283041 /nfs/dbraw/zinc/28/30/41/221283041.db2.gz SRVQSBRRNXKGJJ-FQEVSTJZSA-N 0 0 388.533 4.104 40 0 GIABRN CC[C@H](C(=O)Nc1cccc(C)c1C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714259 221283359 /nfs/dbraw/zinc/28/33/59/221283359.db2.gz YLFUTOHUXJWBMU-GOSISDBHSA-N 0 0 394.924 4.140 40 0 GIABRN CCCOc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2-c1ccc(OC)cc1 ZINC000014000920 221296055 /nfs/dbraw/zinc/29/60/55/221296055.db2.gz CWXZMEQLKGDMDT-SFHVURJKSA-N 0 0 377.444 4.144 40 0 GIABRN Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000014822571 221318122 /nfs/dbraw/zinc/31/81/22/221318122.db2.gz XNBNGJQCOBPRHV-UHFFFAOYSA-N 0 0 386.517 4.120 40 0 GIABRN CCCOc1ccc2ccccc2c1/C=c1/sc2nc3ccccc3n2c1=O ZINC000015009063 221326258 /nfs/dbraw/zinc/32/62/58/221326258.db2.gz QULXXAXXCRJRRB-KGENOOAVSA-N 0 0 386.476 4.399 40 0 GIABRN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2ccccc2Cl)cc1 ZINC000016449894 221364006 /nfs/dbraw/zinc/36/40/06/221364006.db2.gz OFYYPUXUJXJWOP-ILWKUFEGSA-N 0 0 379.843 4.231 40 0 GIABRN C[C@H](OC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1)c1ccccc1 ZINC000016576986 221364383 /nfs/dbraw/zinc/36/43/83/221364383.db2.gz SVVQWTYCSSDGFR-RYGJVYDSSA-N 0 0 377.440 4.284 40 0 GIABRN CCC(=O)n1cnc2c1SC(c1ccc3c(c1)CCCC3)=NN2C(=O)CC ZINC000016806966 221372758 /nfs/dbraw/zinc/37/27/58/221372758.db2.gz XKCDEPPGEGNSCE-UHFFFAOYSA-N 0 0 382.489 4.023 40 0 GIABRN O=C(Cn1nc(C2CCCCC2)n(-n2cccc2)c1=S)Nc1cccc(F)c1 ZINC000016807208 221372791 /nfs/dbraw/zinc/37/27/91/221372791.db2.gz LNXIJTFJPMEBCD-UHFFFAOYSA-N 0 0 399.495 4.352 40 0 GIABRN O=C(O[C@]1(c2nccc3ccccc32)C(=O)Nc2ccccc21)c1ccccc1 ZINC000016951321 221373889 /nfs/dbraw/zinc/37/38/89/221373889.db2.gz NLXGUYUPJOFWEE-XMMPIXPASA-N 0 0 380.403 4.288 40 0 GIABRN O=C(COc1ccc2ccccc2c1)NCC1(c2ccccc2)CCOCC1 ZINC000016968793 221374535 /nfs/dbraw/zinc/37/45/35/221374535.db2.gz VPAKKBJDJKFWPH-UHFFFAOYSA-N 0 0 375.468 4.083 40 0 GIABRN Cc1nn(C[C@H](C)C(=O)N[C@@H](c2ccc(C)cc2)c2cccnc2)c(C)c1C ZINC000019136547 221398838 /nfs/dbraw/zinc/39/88/38/221398838.db2.gz PBQZXFWBFBVCPK-AOMKIAJQSA-N 0 0 376.504 4.054 40 0 GIABRN COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000017970429 221385957 /nfs/dbraw/zinc/38/59/57/221385957.db2.gz QRULHYKRLXJDMG-OLZOCXBDSA-N 0 0 378.266 4.102 40 0 GIABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)CC1CCCC1 ZINC000019017486 221393669 /nfs/dbraw/zinc/39/36/69/221393669.db2.gz RDJLBXHCSRVCHI-ZDXQCDESSA-N 0 0 382.548 4.352 40 0 GIABRN CC(=O)N[C@H](c1ccccn1)C1CCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000019020583 221395518 /nfs/dbraw/zinc/39/55/18/221395518.db2.gz QREANQFYNSXUFT-FQEVSTJZSA-N 0 0 392.330 4.478 40 0 GIABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)CC(C)(C)C)C1 ZINC000019082556 221396019 /nfs/dbraw/zinc/39/60/19/221396019.db2.gz FRCILEXJPCDEFK-QHCPKHFHSA-N 0 0 398.572 4.359 40 0 GIABRN CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)C3CCC3)CC2)n1 ZINC000019084706 221396590 /nfs/dbraw/zinc/39/65/90/221396590.db2.gz PJDAXFFOBXBVNU-UHFFFAOYSA-N 0 0 378.520 4.342 40 0 GIABRN CC(C)(C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)n1cncn1 ZINC000019080956 221396605 /nfs/dbraw/zinc/39/66/05/221396605.db2.gz RRQSMHGYMVWFNK-UHFFFAOYSA-N 0 0 396.303 4.006 40 0 GIABRN CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3ccccc3Cn3cncn3)sc2C1 ZINC000019082511 221397087 /nfs/dbraw/zinc/39/70/87/221397087.db2.gz LURPFMWFLZQXHE-OAHLLOKOSA-N 0 0 395.532 4.186 40 0 GIABRN CC(=O)N1CC[C@@H](c2nc(C)cc(NCC3(c4cccc(F)c4)CCCC3)n2)C1 ZINC000019118223 221398018 /nfs/dbraw/zinc/39/80/18/221398018.db2.gz LFBIWTQERYPLPX-GOSISDBHSA-N 0 0 396.510 4.184 40 0 GIABRN Cc1cc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)C2CCCCC2)on1 ZINC000019121759 221398140 /nfs/dbraw/zinc/39/81/40/221398140.db2.gz WCASLQNCELOFON-SFHVURJKSA-N 0 0 397.523 4.140 40 0 GIABRN COc1ccccc1-c1cc(C(=O)N2CCCCC[C@@H]2c2cc(C)no2)no1 ZINC000019120151 221398216 /nfs/dbraw/zinc/39/82/16/221398216.db2.gz QZVWSDAGUUMFTE-QGZVFWFLSA-N 0 0 381.432 4.404 40 0 GIABRN CC(C)CC(=O)N1CCC[C@](Cc2ccccc2-c2cccs2)(C(N)=O)C1 ZINC000019446353 221412201 /nfs/dbraw/zinc/41/22/01/221412201.db2.gz XKEJCICRHZLRDJ-JOCHJYFZSA-N 0 0 384.545 4.098 40 0 GIABRN Cc1cnccc1-c1c[nH]nc1[C@H]1CCCCN1C(=O)Cc1ccc(F)cc1 ZINC000019239579 221403864 /nfs/dbraw/zinc/40/38/64/221403864.db2.gz YYBQCGHNTJLADM-HXUWFJFHSA-N 0 0 378.451 4.216 40 0 GIABRN O=C(c1cc2c(cccc2F)[nH]1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 ZINC000019345269 221409043 /nfs/dbraw/zinc/40/90/43/221409043.db2.gz CKSTVFJBDCPDSB-GFCCVEGCSA-N 0 0 396.447 4.438 40 0 GIABRN O=C(c1cc2c(cccc2F)[nH]1)N1CCC[C@@H]1c1nnc(-c2ccsc2)o1 ZINC000019345273 221409257 /nfs/dbraw/zinc/40/92/57/221409257.db2.gz AOTPZPWUSWTHLU-MRXNPFEDSA-N 0 0 382.420 4.396 40 0 GIABRN Cc1c(-c2cc(C(=O)Nc3ccc(-c4cccc(F)c4)cc3)on2)cnn1C ZINC000019554252 221424564 /nfs/dbraw/zinc/42/45/64/221424564.db2.gz VYOYFPUZNROAAQ-UHFFFAOYSA-N 0 0 376.391 4.442 40 0 GIABRN CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)CC)C1 ZINC000019498606 221417295 /nfs/dbraw/zinc/41/72/95/221417295.db2.gz QSAIWIIRRZHSEM-DEOSSOPVSA-N 0 0 396.506 4.190 40 0 GIABRN O=C(c1cc(-c2ccccc2Cl)no1)N(Cc1ccccn1)C[C@H]1CCCO1 ZINC000019660873 221438470 /nfs/dbraw/zinc/43/84/70/221438470.db2.gz RMQXMSTWTOJYGV-MRXNPFEDSA-N 0 0 397.862 4.211 40 0 GIABRN COc1cccc(-c2cc(C(=O)N3CCC(Oc4cccc(C)c4)CC3)on2)c1 ZINC000019666820 221440449 /nfs/dbraw/zinc/44/04/49/221440449.db2.gz UMQXPNXRYTVFSK-UHFFFAOYSA-N 0 0 392.455 4.342 40 0 GIABRN CCc1nnc2n1C[C@H](c1ccc(NC(=O)CCc3ccccc3F)cc1)CC2 ZINC000019699141 221441141 /nfs/dbraw/zinc/44/11/41/221441141.db2.gz QMOGVXHMGYPLJJ-GOSISDBHSA-N 0 0 392.478 4.281 40 0 GIABRN COCCC(=O)N1CCC(c2cc(Cc3ccc(Cl)cc3)cc(C)n2)CC1 ZINC000019691699 221442071 /nfs/dbraw/zinc/44/20/71/221442071.db2.gz WPLSHWTXLFVMEX-UHFFFAOYSA-N 0 0 386.923 4.377 40 0 GIABRN CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)C2CC2)C1 ZINC000019578729 221431608 /nfs/dbraw/zinc/43/16/08/221431608.db2.gz YIBBHAUTYFFUAP-HSZRJFAPSA-N 0 0 396.556 4.065 40 0 GIABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000020038460 221468430 /nfs/dbraw/zinc/46/84/30/221468430.db2.gz KGZZEOFQCCNMIS-NRFANRHFSA-N 0 0 386.923 4.463 40 0 GIABRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc(-c2ccccc2)[nH]c1=O ZINC000019937253 221465648 /nfs/dbraw/zinc/46/56/48/221465648.db2.gz LDOCDBWGPKTJBT-UHFFFAOYSA-N 0 0 383.407 4.482 40 0 GIABRN O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1c(F)c(F)c(F)c(F)c1F ZINC000020143176 221474557 /nfs/dbraw/zinc/47/45/57/221474557.db2.gz RGVQEHDWJOIJTM-UHFFFAOYSA-N 0 0 383.272 4.387 40 0 GIABRN CC[C@H](NC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1)c1ccc(OC)cc1 ZINC000020488728 221493795 /nfs/dbraw/zinc/49/37/95/221493795.db2.gz MQKSOGCKCGNULJ-KDOFPFPSSA-N 0 0 389.517 4.461 40 0 GIABRN CCCOc1cccc([C@@H]2C(C(=O)OC)C(C)=Nc3nc4ccccc4n32)c1 ZINC000020672388 221506058 /nfs/dbraw/zinc/50/60/58/221506058.db2.gz BPGVFJKKWFIKIE-HXUWFJFHSA-N 0 0 377.444 4.287 40 0 GIABRN COc1ccc(/C=C2\SC(Nc3cc(Cl)ccc3OC)NC2=O)cc1 ZINC000408808463 533241642 /nfs/dbraw/zinc/24/16/42/533241642.db2.gz JAHYQJAIXYEFGS-UHFFFAOYSA-N 0 0 375.857 4.120 40 0 GIABRN COc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1Cl ZINC000409070819 533422717 /nfs/dbraw/zinc/42/27/17/533422717.db2.gz PAQCFSCDRFOFTO-OVCLIPMQSA-N 0 0 395.217 4.234 40 0 GIABRN COc1c(F)c(F)c(C(=O)Nc2ccccc2Br)c(F)c1F ZINC000408624066 533428196 /nfs/dbraw/zinc/42/81/96/533428196.db2.gz XBQFAGQHJDTWPC-UHFFFAOYSA-N 0 0 378.119 4.266 40 0 GIABRN COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc2c1OCO2 ZINC000409128596 533472773 /nfs/dbraw/zinc/47/27/73/533472773.db2.gz SHMCZBUGMYTKLO-CXUHLZMHSA-N 0 0 375.446 4.041 40 0 GIABRN COc1cc(/C=C2\Sc3ccccc3NC2=O)cc(Br)c1O ZINC000409105391 533475418 /nfs/dbraw/zinc/47/54/18/533475418.db2.gz IYJUKJZNBOJRMG-ZSOIEALJSA-N 0 0 378.247 4.249 40 0 GIABRN COc1cc(C)c(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1OC ZINC000409051784 533565354 /nfs/dbraw/zinc/56/53/54/533565354.db2.gz GGZFTOYCFLDURZ-UYRXBGFRSA-N 0 0 399.468 4.128 40 0 GIABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000044899788 132420433 /nfs/dbraw/zinc/42/04/33/132420433.db2.gz ATDCVCRHGSJFSB-SFHVURJKSA-N 0 0 386.923 4.381 40 0 GIABRN O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1cccc2ccccc21 ZINC000057712348 136153937 /nfs/dbraw/zinc/15/39/37/136153937.db2.gz KREHPDKTZHXQRX-UHFFFAOYSA-N 0 0 379.891 4.254 40 0 GIABRN CC[C@H]1CCCCN1c1cc(C)nc2cc(-c3cc(OC)cc(OC)c3)nn21 ZINC000001340783 136193155 /nfs/dbraw/zinc/19/31/55/136193155.db2.gz LFCFLHWHPJEYEZ-KRWDZBQOSA-N 0 0 380.492 4.491 40 0 GIABRN Cc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCC[C@H](O)C4)n3n2)cc1 ZINC000001341212 136193197 /nfs/dbraw/zinc/19/31/97/136193197.db2.gz XHOXYKWKOQYXBK-FQEVSTJZSA-N 0 0 384.483 4.333 40 0 GIABRN CCOc1ccc(CNC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1OCC ZINC000219860397 136204364 /nfs/dbraw/zinc/20/43/64/136204364.db2.gz GHNNGHKQAYZUIH-UHFFFAOYSA-N 0 0 396.531 4.325 40 0 GIABRN S=C(NCc1cccnc1)Nc1ccc(N2CCCc3ccccc32)nc1 ZINC000223940619 136206135 /nfs/dbraw/zinc/20/61/35/136206135.db2.gz TWUDPUCPOXLEEJ-UHFFFAOYSA-N 0 0 375.501 4.048 40 0 GIABRN O=C(CSCc1ccc(Cl)cc1F)N1CCN(c2ccccc2F)CC1 ZINC000224426197 136206996 /nfs/dbraw/zinc/20/69/96/136206996.db2.gz JNDSCBTXCCVNPS-UHFFFAOYSA-N 0 0 396.890 4.200 40 0 GIABRN Cc1cccc(N2CCN(C(=O)[C@@H](C)Oc3cccc4c3CCCC4)CC2)c1C ZINC000224629194 136207100 /nfs/dbraw/zinc/20/71/00/136207100.db2.gz CDISZJDNIGKTKH-HXUWFJFHSA-N 0 0 392.543 4.298 40 0 GIABRN CCn1cc(C(=O)Nc2ccccc2F)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236747 221555529 /nfs/dbraw/zinc/55/55/29/221555529.db2.gz VXWRDRZQHRTOGR-UHFFFAOYSA-N 0 0 378.325 4.432 40 0 GIABRN CC(C)c1ccc(S(=O)(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1 ZINC000022256835 221556326 /nfs/dbraw/zinc/55/63/26/221556326.db2.gz YEXFGJGVSHWZKR-UHFFFAOYSA-N 0 0 399.516 4.459 40 0 GIABRN O=c1c2c(ccn1-c1cccc3ccccc31)nc1ncnn1c2-c1ccccc1 ZINC000022607910 221565998 /nfs/dbraw/zinc/56/59/98/221565998.db2.gz LOQZWLREBNLLAY-UHFFFAOYSA-N 0 0 389.418 4.249 40 0 GIABRN COC(=O)c1cc(NC(=O)COc2cccc(C(F)(F)F)c2)ccc1Cl ZINC000031054581 221708480 /nfs/dbraw/zinc/70/84/80/221708480.db2.gz UIOKKNFOSMTGBU-UHFFFAOYSA-N 0 0 387.741 4.163 40 0 GIABRN Cc1ccc(C(=O)NC(=S)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1 ZINC000032126890 221720163 /nfs/dbraw/zinc/72/01/63/221720163.db2.gz VEWFFHWHPADTOC-UHFFFAOYSA-N 0 0 396.324 4.460 40 0 GIABRN O=C(NCCOc1ccc2ccccc2c1)C1(c2ccccc2)CCOCC1 ZINC000033021421 221765434 /nfs/dbraw/zinc/76/54/34/221765434.db2.gz YQIWDXTUOHYMGV-UHFFFAOYSA-N 0 0 375.468 4.083 40 0 GIABRN S=C(NCc1ccco1)N(CCc1nc2ccccc2[nH]1)C1CCCCC1 ZINC000035311175 221816356 /nfs/dbraw/zinc/81/63/56/221816356.db2.gz SQMYXYAPPITHFI-UHFFFAOYSA-N 0 0 382.533 4.408 40 0 GIABRN CC(C)(C)c1nc2ccccc2c(SCC(=O)Nc2ccc3c(c2)OCO3)n1 ZINC000035312161 221816457 /nfs/dbraw/zinc/81/64/57/221816457.db2.gz RGWZPGZXTSJRFK-UHFFFAOYSA-N 0 0 395.484 4.387 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000035312970 221817244 /nfs/dbraw/zinc/81/72/44/221817244.db2.gz YPAQVPCSWJFPRR-UHFFFAOYSA-N 0 0 393.443 4.416 40 0 GIABRN Cc1c(-c2nn(-c3ccc(C)cc3)c(-c3cnn(C)c3C)c2Cl)cnn1C ZINC000036611552 221859767 /nfs/dbraw/zinc/85/97/67/221859767.db2.gz RLDARBBUTQYQIA-UHFFFAOYSA-N 0 0 380.883 4.252 40 0 GIABRN CCn1ncc(-c2cc(C(F)(F)F)nc(NCc3ccc(F)cc3)n2)c1C ZINC000036614201 221860863 /nfs/dbraw/zinc/86/08/63/221860863.db2.gz KXVFDXNVDJMZRL-UHFFFAOYSA-N 0 0 379.361 4.438 40 0 GIABRN Cc1cc(C)c(N[C@H]2CC(=O)N(c3ccccc3Br)C2=O)c(C)c1 ZINC000036635816 221862482 /nfs/dbraw/zinc/86/24/82/221862482.db2.gz OQDGAXAOWSNJIP-HNNXBMFYSA-N 0 0 387.277 4.118 40 0 GIABRN Cc1nccn1-c1ccc(CNC(=O)CSCc2ccccc2Cl)cc1 ZINC000044901882 221956673 /nfs/dbraw/zinc/95/66/73/221956673.db2.gz PJDIAXGXZBUVES-UHFFFAOYSA-N 0 0 385.920 4.384 40 0 GIABRN O=c1nnc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1Cc1ccccc1 ZINC000057761789 222036559 /nfs/dbraw/zinc/03/65/59/222036559.db2.gz FHLZAHLLUDUIBD-UHFFFAOYSA-N 0 0 375.378 4.299 40 0 GIABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2nc(-c3ccccc3)no2)c1 ZINC000051261007 222004382 /nfs/dbraw/zinc/00/43/82/222004382.db2.gz GXZQRXOQWHAFHH-INIZCTEOSA-N 0 0 379.460 4.252 40 0 GIABRN CC(C)Sc1ccccc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000052754506 222007059 /nfs/dbraw/zinc/00/70/59/222007059.db2.gz KWIBYBWJDVEPEY-AWEZNQCLSA-N 0 0 377.531 4.082 40 0 GIABRN CCCCOc1ccc(NC(=O)CN2CCN(c3cccc(C)c3)[C@H](C)C2)cc1 ZINC000057720113 222035955 /nfs/dbraw/zinc/03/59/55/222035955.db2.gz OYNFLOAXQMPSGD-HXUWFJFHSA-N 0 0 395.547 4.323 40 0 GIABRN Clc1cc(Br)c(Br)cc1I ZINC000067796625 222158781 /nfs/dbraw/zinc/15/87/81/222158781.db2.gz DYXWQOFYDGFDKM-UHFFFAOYSA-N 0 0 396.247 4.470 40 0 GIABRN Cc1ccc(CNc2ncc(-c3ccc4c(c3)OCO4)c(-c3cccnc3)n2)o1 ZINC000072339480 222229781 /nfs/dbraw/zinc/22/97/81/222229781.db2.gz GLHLFWUCWITEMP-UHFFFAOYSA-N 0 0 386.411 4.448 40 0 GIABRN COc1cccc(CCNc2ncc(-c3cnccn3)c(-c3cccs3)n2)c1 ZINC000072338753 222230144 /nfs/dbraw/zinc/23/01/44/222230144.db2.gz YRQGMTVCORRBPR-UHFFFAOYSA-N 0 0 389.484 4.325 40 0 GIABRN CCN(CC)c1nc(-c2ccccn2)nc2c1CCN(Cc1ccc(C)cc1)C2 ZINC000072337490 222230204 /nfs/dbraw/zinc/23/02/04/222230204.db2.gz BVQLOXPDJDMJLS-UHFFFAOYSA-N 0 0 387.531 4.252 40 0 GIABRN Cc1cc(C(=O)N2CCC(c3n[nH]cc3-c3ccncc3)CC2)c(C2CC2)o1 ZINC000072334798 222230403 /nfs/dbraw/zinc/23/04/03/222230403.db2.gz VTWROHKFIIJQLE-UHFFFAOYSA-N 0 0 376.460 4.270 40 0 GIABRN Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)CC(C)(C)C)c1C ZINC000072341501 222231010 /nfs/dbraw/zinc/23/10/10/222231010.db2.gz GFPPJFCTIIUHCJ-QGZVFWFLSA-N 0 0 399.539 4.304 40 0 GIABRN COc1ccccc1Cc1cccc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1 ZINC000072349124 222234461 /nfs/dbraw/zinc/23/44/61/222234461.db2.gz VSXLPNIMPLFGNR-FQEVSTJZSA-N 0 0 387.483 4.096 40 0 GIABRN O=C(Cc1cccnc1)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072349372 222236096 /nfs/dbraw/zinc/23/60/96/222236096.db2.gz VKKWJUVOADPFLQ-IBGZPJMESA-N 0 0 375.447 4.231 40 0 GIABRN COc1ccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4cccnc4)C3)n2)cc1 ZINC000072349381 222236129 /nfs/dbraw/zinc/23/61/29/222236129.db2.gz BWJAHJJQFANOMU-HXUWFJFHSA-N 0 0 387.483 4.101 40 0 GIABRN CCn1ccnc1CN1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 ZINC000072350292 222236463 /nfs/dbraw/zinc/23/64/63/222236463.db2.gz LHZIYJIBZCECKQ-UHFFFAOYSA-N 0 0 378.495 4.408 40 0 GIABRN Cn1ccnc1C(=O)N1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072350238 222236511 /nfs/dbraw/zinc/23/65/11/222236511.db2.gz AAOZSGQSKSBWAM-KRWDZBQOSA-N 0 0 394.906 4.079 40 0 GIABRN O=C(Cc1ccncc1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072349442 222236731 /nfs/dbraw/zinc/23/67/31/222236731.db2.gz YOZRFFOAQPEAOS-FQEVSTJZSA-N 0 0 389.474 4.155 40 0 GIABRN COc1cccc(Cc2cccc(C3CCN(C(=O)c4ccncc4)CC3)n2)c1 ZINC000072349171 222236823 /nfs/dbraw/zinc/23/68/23/222236823.db2.gz DXOGCVXRJIFLKP-UHFFFAOYSA-N 0 0 387.483 4.096 40 0 GIABRN Cc1nc(C(=O)N2CCC(c3cccc(Cc4ccccc4F)n3)CC2)co1 ZINC000072350458 222237480 /nfs/dbraw/zinc/23/74/80/222237480.db2.gz LBPIVMUEAILHMR-UHFFFAOYSA-N 0 0 379.435 4.128 40 0 GIABRN Cc1nc(C(=O)N2CCC(c3cccc(Cc4ccccc4C)n3)CC2)co1 ZINC000072350457 222238315 /nfs/dbraw/zinc/23/83/15/222238315.db2.gz LBILKHYIANUBRR-UHFFFAOYSA-N 0 0 375.472 4.297 40 0 GIABRN Cc1ncsc1C(=O)N1CCC[C@@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 ZINC000072354878 222238461 /nfs/dbraw/zinc/23/84/61/222238461.db2.gz TVZBMKLKFKXXJX-OAHLLOKOSA-N 0 0 399.907 4.121 40 0 GIABRN O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1 ZINC000072358926 222239021 /nfs/dbraw/zinc/23/90/21/222239021.db2.gz MVVANDJPHYZJTM-KRWDZBQOSA-N 0 0 393.437 4.371 40 0 GIABRN O=C(COc1ccccc1)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072358666 222239972 /nfs/dbraw/zinc/23/99/72/222239972.db2.gz FUXZQAPHEVKPQW-GOSISDBHSA-N 0 0 391.446 4.068 40 0 GIABRN Cc1cc(Oc2ccc(F)cc2)nc([C@H]2CCCN(C(=O)c3cscn3)C2)n1 ZINC000072362653 222240812 /nfs/dbraw/zinc/24/08/12/222240812.db2.gz IAVYPKPFQKBRJV-AWEZNQCLSA-N 0 0 398.463 4.193 40 0 GIABRN Cc1cnc(Nc2nc(C)nc3c2CN(C(=O)CC2CCCCC2)CC3)s1 ZINC000072380757 222243788 /nfs/dbraw/zinc/24/37/88/222243788.db2.gz HIVOZMNGMULCCZ-UHFFFAOYSA-N 0 0 385.537 4.149 40 0 GIABRN Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2C(=O)Cc2ccccc2)n1 ZINC000072376886 222245287 /nfs/dbraw/zinc/24/52/87/222245287.db2.gz IFQWRHLKCLCHMY-FQEVSTJZSA-N 0 0 390.462 4.161 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@H]2c2nc(C)cc(Oc3ccccc3C)n2)o1 ZINC000072384110 222246337 /nfs/dbraw/zinc/24/63/37/222246337.db2.gz WBEODOKNWFRFLY-KRWDZBQOSA-N 0 0 392.459 4.468 40 0 GIABRN Cc1nc(C(=O)N2CCC(c3cccc(Oc4cccc(F)c4)n3)CC2)co1 ZINC000072384510 222246860 /nfs/dbraw/zinc/24/68/60/222246860.db2.gz FXJWBCPZGUAVOF-UHFFFAOYSA-N 0 0 381.407 4.329 40 0 GIABRN Cc1n[nH]c(C)c1CCC(=O)N1CCCC[C@H]1c1nc2cc(C)c(C)cc2[nH]1 ZINC000072389460 222247075 /nfs/dbraw/zinc/24/70/75/222247075.db2.gz WCJQEAQCHQRFFB-FQEVSTJZSA-N 0 0 379.508 4.206 40 0 GIABRN O=C(c1csc2ccccc12)N1CCC[C@@H](c2nnc(-c3ccccn3)o2)C1 ZINC000072390014 222247133 /nfs/dbraw/zinc/24/71/33/222247133.db2.gz UTLYFTFEFZSCJL-CQSZACIVSA-N 0 0 390.468 4.366 40 0 GIABRN CCNC(=O)[C@@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)CC)C1 ZINC000072391559 222248710 /nfs/dbraw/zinc/24/87/10/222248710.db2.gz SFSDIDOMKPNZDM-XMMPIXPASA-N 0 0 396.506 4.190 40 0 GIABRN CCc1ccc(NC(=O)c2cc(-c3cnc(N(C)C)nc3)cn2CC2CC2)cc1 ZINC000096037638 222375603 /nfs/dbraw/zinc/37/56/03/222375603.db2.gz FSEPCEYYENDQSF-UHFFFAOYSA-N 0 0 389.503 4.236 40 0 GIABRN C[C@@H]1CN(C(=O)c2ccc3ccc(N(C)c4ccc(F)cc4)n3c2)C[C@H](C)O1 ZINC000096091367 222379139 /nfs/dbraw/zinc/37/91/39/222379139.db2.gz QNURYWLWSHZCQU-IYBDPMFKSA-N 0 0 381.451 4.096 40 0 GIABRN O=C1[C@@H]2C[C@@H](CN2Cc2ccccc2)Oc2ccccc2N1Cc1ccccc1 ZINC000096111772 222382410 /nfs/dbraw/zinc/38/24/10/222382410.db2.gz PNKWSMJHKLVHKM-GMAHTHKFSA-N 0 0 384.479 4.255 40 0 biogenic,in-vitro GIABRN CC(C)n1c2cc(C(=O)NCc3ccco3)n(C(=O)N(C)C)c2c2ccccc21 ZINC000096146431 222389286 /nfs/dbraw/zinc/38/92/86/222389286.db2.gz LLNPQAVCRNGQHH-UHFFFAOYSA-N 0 0 392.459 4.230 40 0 GIABRN O=C(NCc1cccnc1)c1cc(-c2ccnn2C2CCCC2)n2ccccc12 ZINC000096154781 222391972 /nfs/dbraw/zinc/39/19/72/222391972.db2.gz VHFBGXHIWVHNFF-UHFFFAOYSA-N 0 0 385.471 4.243 40 0 GIABRN O=C(NCc1cccnc1)c1ccn(-c2ccc3ccc(-c4ccccc4)cn32)n1 ZINC000096155321 222393078 /nfs/dbraw/zinc/39/30/78/222393078.db2.gz IDAJYWJWSRYFGF-UHFFFAOYSA-N 0 0 393.450 4.117 40 0 GIABRN C[C@H]1CCC(=O)[C@@H]([C@]2(O)c3ccccc3N(Cc3ccccc3Cl)C2=O)C1 ZINC000096191615 222396361 /nfs/dbraw/zinc/39/63/61/222396361.db2.gz LTGGJOMSBHUQTI-ICSGCJEQSA-N 0 0 383.875 4.080 40 0 GIABRN O=C(NC1CCCCCC1)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000101699725 222475284 /nfs/dbraw/zinc/47/52/84/222475284.db2.gz GNBITVVZBJNDFX-HDICACEKSA-N 0 0 381.520 4.042 40 0 GIABRN COc1cccc([C@@H]2Nc3c(sc(=S)n3-c3ccccc3)C(=O)N2)c1OC ZINC000408977105 533760789 /nfs/dbraw/zinc/76/07/89/533760789.db2.gz VCZPGYGNIOSWLJ-MRXNPFEDSA-N 0 0 399.497 4.140 40 0 GIABRN COc1ccc(Cl)cc1NC(=O)Cn1nc(-c2ccc(C)cc2)oc1=S ZINC000409161514 533874192 /nfs/dbraw/zinc/87/41/92/533874192.db2.gz YKPAGGCTLKENBB-UHFFFAOYSA-N 0 0 389.864 4.482 40 0 GIABRN COC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)ccc1Cl ZINC000044846170 533880147 /nfs/dbraw/zinc/88/01/47/533880147.db2.gz PFKDNKKGQBPWLR-LLVKDONJSA-N 0 0 379.865 4.255 40 0 GIABRN COC(=O)c1ccc(/C=C2/SC(=O)N(CNc3ccc(C)cc3C)C2=O)cc1 ZINC000408972541 533957856 /nfs/dbraw/zinc/95/78/56/533957856.db2.gz DKWKEJRSADLNKK-WOJGMQOQSA-N 0 0 396.468 4.196 40 0 GIABRN Cc1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000008033625 534049571 /nfs/dbraw/zinc/04/95/71/534049571.db2.gz ZBOFCDXYAYIPNB-UHFFFAOYSA-N 0 0 394.496 4.034 40 0 GIABRN COc1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3C)o2)cc1 ZINC000059176125 534089329 /nfs/dbraw/zinc/08/93/29/534089329.db2.gz UEEWGTSITQEBEU-UHFFFAOYSA-N 0 0 399.472 4.005 40 0 GIABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1C(=O)NCC(C)C ZINC000408583794 534212555 /nfs/dbraw/zinc/21/25/55/534212555.db2.gz KFKRLANMMYITKT-UHFFFAOYSA-N 0 0 394.924 4.143 40 0 GIABRN Cc1ccc(-c2nnc(CN(C)C(=O)COc3ccc(Cl)c(C)c3)o2)cc1 ZINC000408714831 534222615 /nfs/dbraw/zinc/22/26/15/534222615.db2.gz XLWUHPZQOCDHNP-UHFFFAOYSA-N 0 0 385.851 4.044 40 0 GIABRN COC(=O)c1ccc2nc(NC(=O)c3cccc(OCC(C)C)c3)sc2c1 ZINC000008904277 534250938 /nfs/dbraw/zinc/25/09/38/534250938.db2.gz JHAWTIXEYWARRS-UHFFFAOYSA-N 0 0 384.457 4.370 40 0 GIABRN Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)C(C)(C)C)cc3O)nc2c1 ZINC000408628915 534526294 /nfs/dbraw/zinc/52/62/94/534526294.db2.gz XZNGHKGSLYMTQW-UHFFFAOYSA-N 0 0 383.473 4.368 40 0 GIABRN O=C(CSc1nnc(Cc2c[nH]c3ccccc23)o1)c1ccc(F)c(F)c1 ZINC000021682009 534676122 /nfs/dbraw/zinc/67/61/22/534676122.db2.gz IRDNPARVRZFTJT-UHFFFAOYSA-N 0 0 385.395 4.395 40 0 GIABRN Cc1cccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1C ZINC000409178888 534745644 /nfs/dbraw/zinc/74/56/44/534745644.db2.gz JIRUWPHFWVJXMV-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN Cc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c1 ZINC000409380325 534746004 /nfs/dbraw/zinc/74/60/04/534746004.db2.gz CNSUKEPUCDMCGD-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN O=C1NC(=O)C(=Cc2cn(CCCOc3ccccc3)c3ccccc23)S1 ZINC000409133033 534785088 /nfs/dbraw/zinc/78/50/88/534785088.db2.gz QFVPAUSVEJBQQQ-UYRXBGFRSA-N 0 0 378.453 4.434 40 0 GIABRN O=C1S[C@@H](Cc2cc3c(cc2Cl)OCO3)C(=O)N1Cc1ccc(F)cc1 ZINC000409142152 534825133 /nfs/dbraw/zinc/82/51/33/534825133.db2.gz RKZGYEFNFGKJGJ-INIZCTEOSA-N 0 0 393.823 4.015 40 0 GIABRN CC(C)(C)OC(=O)NCCC(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000409002988 526451496 /nfs/dbraw/zinc/45/14/96/526451496.db2.gz QMYGIQFKMVXKDH-UHFFFAOYSA-N 0 0 389.492 4.375 40 0 GIABRN CC(C)(C)C(=O)NC(=S)Nc1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000408624829 527580822 /nfs/dbraw/zinc/58/08/22/527580822.db2.gz CIQDJRLRXQNSEK-UHFFFAOYSA-N 0 0 380.469 4.319 40 0 GIABRN CC(C)(C)C(=O)NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057316613 527581200 /nfs/dbraw/zinc/58/12/00/527581200.db2.gz ZMCBMOKHKSUFJI-UHFFFAOYSA-N 0 0 395.322 4.246 40 0 GIABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC1 ZINC000057317098 527658229 /nfs/dbraw/zinc/65/82/29/527658229.db2.gz FRGINWGSXPKFFD-UHFFFAOYSA-N 0 0 399.922 4.287 40 0 GIABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000408562637 528046466 /nfs/dbraw/zinc/04/64/66/528046466.db2.gz RBONBPBUHJWMMU-UHFFFAOYSA-N 0 0 395.912 4.323 40 0 GIABRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(OCC(C)C)cc2)NC(=S)N1 ZINC000408605802 528083027 /nfs/dbraw/zinc/08/30/27/528083027.db2.gz GTSWLKNIWOVBIG-FQEVSTJZSA-N 0 0 395.528 4.153 40 0 GIABRN CC(C)c1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)cc1 ZINC000408560533 528117105 /nfs/dbraw/zinc/11/71/05/528117105.db2.gz DDDBCRCSKTYGAJ-UHFFFAOYSA-N 0 0 387.505 4.239 40 0 GIABRN CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(Cl)c1OCC ZINC000409249745 528195772 /nfs/dbraw/zinc/19/57/72/528195772.db2.gz LFSPUGHJEKQROW-RVDMUPIBSA-N 0 0 399.896 4.210 40 0 GIABRN CC(C)c1ccccc1NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000408738273 528198417 /nfs/dbraw/zinc/19/84/17/528198417.db2.gz QZHBVELJUAGSBT-IBGZPJMESA-N 0 0 380.444 4.076 40 0 GIABRN CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(C)c2C)cc1 ZINC000409098460 528359375 /nfs/dbraw/zinc/35/93/75/528359375.db2.gz PYVNJKUVNHIYIT-UHFFFAOYSA-N 0 0 396.516 4.322 40 0 GIABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2F)cc1 ZINC000408628713 528395924 /nfs/dbraw/zinc/39/59/24/528395924.db2.gz WIGWDLLFEBCQCE-UHFFFAOYSA-N 0 0 397.269 4.114 40 0 GIABRN CCOc1ccc(NCc2ccccc2OS(=O)(=O)c2ccccc2)cc1 ZINC000409117358 528554044 /nfs/dbraw/zinc/55/40/44/528554044.db2.gz QYYJONSKLZHYQR-UHFFFAOYSA-N 0 0 383.469 4.465 40 0 GIABRN CCOc1cccc(C(=O)NC(=S)Nc2nc3c(s2)c(C)ccc3C)c1 ZINC000408627937 528629820 /nfs/dbraw/zinc/62/98/20/528629820.db2.gz ONJYSFMMFIPJNR-UHFFFAOYSA-N 0 0 385.514 4.439 40 0 GIABRN CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 ZINC000103718857 528709587 /nfs/dbraw/zinc/70/95/87/528709587.db2.gz QBVTXTATPANQPF-HNNXBMFYSA-N 0 0 386.879 4.429 40 0 GIABRN CCCOc1ccccc1C(=O)Nc1ccccc1I ZINC000408586134 528767620 /nfs/dbraw/zinc/76/76/20/528767620.db2.gz LISFAJKCXDCKGA-UHFFFAOYSA-N 0 0 381.213 4.332 40 0 GIABRN CCCC[C@@H](CC)CNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000408706882 528776501 /nfs/dbraw/zinc/77/65/01/528776501.db2.gz GVVIRXPSYZUYDW-LJQANCHMSA-N 0 0 380.532 4.267 40 0 GIABRN CCOCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cn1 ZINC000225871248 528845160 /nfs/dbraw/zinc/84/51/60/528845160.db2.gz YFDGSDAKEOPFGO-UHFFFAOYSA-N 0 0 398.503 4.346 40 0 GIABRN CCC[C@@H](C)NC(=O)c1cc2c(nc(SC)nc2N2CCCCC2)s1 ZINC000408623368 528899324 /nfs/dbraw/zinc/89/93/24/528899324.db2.gz STDJLMTXXXUCJP-GFCCVEGCSA-N 0 0 378.567 4.322 40 0 GIABRN CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)N(C)C1=S ZINC000409038729 528943801 /nfs/dbraw/zinc/94/38/01/528943801.db2.gz VPHAABROSPNXBP-ATVHPVEESA-N 0 0 386.904 4.339 40 0 GIABRN CCc1cccc(C)c1NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000408547434 529159356 /nfs/dbraw/zinc/15/93/56/529159356.db2.gz JLCYJFQTDMZLLK-CQSZACIVSA-N 0 0 394.924 4.004 40 0 GIABRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2c(OC)ccc3ccccc32)C1=O ZINC000409209250 529183661 /nfs/dbraw/zinc/18/36/61/529183661.db2.gz IIKXMIFYFUNCKI-FHXOWUIVSA-N 0 0 399.468 4.226 40 0 GIABRN COc1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(Cl)s3)c[nH]2)cc1 ZINC000096296169 560060328 /nfs/dbraw/zinc/06/03/28/560060328.db2.gz KCGLLPPVCNTDRH-INIZCTEOSA-N 0 0 389.908 4.374 40 0 biogenic,in-vitro GIABRN C/C=C(\C)C(=O)OC/C(=C/C)C(=O)O[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000031162836 560090312 /nfs/dbraw/zinc/09/03/12/560090312.db2.gz LKOARHYUMOKAPJ-BQTKUQJWSA-N 0 0 376.449 4.154 40 0 biogenic,in-vitro GIABRN CC[C@H]1CN(C(=O)c2ccccc2)CC[C@H]1CC(=O)NCc1ccc(F)cc1 ZINC000005411803 560201743 /nfs/dbraw/zinc/20/17/43/560201743.db2.gz STNLOTSJMFSXCO-ICSRJNTNSA-N 0 0 382.479 4.021 40 0 biogenic,in-vitro GIABRN CCOc1ccccc1-c1ccccc1NC(=O)c1nc2ccccc2n(C)c1=O ZINC000019718493 570209894 /nfs/dbraw/zinc/20/98/94/570209894.db2.gz UAXGPRYEASSOBL-UHFFFAOYSA-N 0 0 399.450 4.252 40 0 GIABRN Cc1cc(Nc2cc(-c3cccnc3)nc(N[C@@H](CO)C(C)C)n2)ccc1F ZINC000329000711 570211358 /nfs/dbraw/zinc/21/13/58/570211358.db2.gz KCHWUWATQCUZJC-IBGZPJMESA-N 0 0 381.455 4.159 40 0 GIABRN CCNc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C2CC2)n1 ZINC000329018367 570212479 /nfs/dbraw/zinc/21/24/79/570212479.db2.gz NQXXPRJDGZUCSE-UHFFFAOYSA-N 0 0 390.331 4.411 40 0 GIABRN CCOc1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCC3)n2)cc1 ZINC000329021728 570213370 /nfs/dbraw/zinc/21/33/70/570213370.db2.gz OHZZCLJFVQAFNM-UHFFFAOYSA-N 0 0 375.476 4.457 40 0 GIABRN Clc1cccc(CNc2cc(-c3ccncc3)nc(NC3CCCC3)n2)c1 ZINC000329022096 570213465 /nfs/dbraw/zinc/21/34/65/570213465.db2.gz OJZPBCWUCUQWHH-UHFFFAOYSA-N 0 0 379.895 4.002 40 0 GIABRN Clc1ccccc1CNc1cc(-c2ccncc2)nc(NC2CCCCC2)n1 ZINC000329068658 570216437 /nfs/dbraw/zinc/21/64/37/570216437.db2.gz YRMZPRDOXAUNST-UHFFFAOYSA-N 0 0 393.922 4.393 40 0 GIABRN Cc1nc(-c2ccc(F)cc2)nc2c1CCN(C(=O)Nc1cccc(F)c1)CC2 ZINC000096254749 570225002 /nfs/dbraw/zinc/22/50/02/570225002.db2.gz ROYXWFZGYZRNLM-UHFFFAOYSA-N 0 0 394.425 4.363 40 0 GIABRN Cc1nc2nnc3ccc(C(=O)Nc4ccc(C)nc4)cc3c2n1-c1ccccc1 ZINC000096264299 570227047 /nfs/dbraw/zinc/22/70/47/570227047.db2.gz OZIWNXRYZKHAPY-UHFFFAOYSA-N 0 0 394.438 4.233 40 0 GIABRN CC[C@H](CO)NC(=O)c1cc(-c2csc(-c3ccccc3)n2)n2ccccc12 ZINC000096266770 570227360 /nfs/dbraw/zinc/22/73/60/570227360.db2.gz SCZQVQFXISQDBV-MRXNPFEDSA-N 0 0 391.496 4.231 40 0 GIABRN C[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](N(Cc2ccccc2)CC(F)(F)F)[C@@H]1O ZINC000585261345 570228122 /nfs/dbraw/zinc/22/81/22/570228122.db2.gz XVVBPAKRDLVZCR-NJDAHSKKSA-N 0 0 392.465 4.075 40 0 GIABRN COCCC(=O)N[C@]1(C)C[C@H](c2cccc(F)c2)O[C@H](c2ccc(F)cc2)C1 ZINC000585262231 570229669 /nfs/dbraw/zinc/22/96/69/570229669.db2.gz NDEODXIFZMGBJR-VWPQPMDRSA-N 0 0 389.442 4.469 40 0 GIABRN CC1(C)Oc2ccccc2[C@H]2O[C@H]3CC[N@H+](Cc4cccc(C(=O)[O-])c4)[C@@H]3C[C@@H]21 ZINC000585262329 570230171 /nfs/dbraw/zinc/23/01/71/570230171.db2.gz CDMVDAGGTPIQKN-YUVXSKOASA-N 0 0 393.483 4.277 40 0 GIABRN CC(=O)N1CC[C@H](Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)C1 ZINC000585262786 570231159 /nfs/dbraw/zinc/23/11/59/570231159.db2.gz FZZFCOWRZROGTM-MRXNPFEDSA-N 0 0 396.491 4.499 40 0 GIABRN Cc1cccnc1CN1CCC[C@@H]1c1csc(NC(=O)c2ccccc2)n1 ZINC000585268806 570235039 /nfs/dbraw/zinc/23/50/39/570235039.db2.gz XLIXNLSUKWMQOT-LJQANCHMSA-N 0 0 378.501 4.436 40 0 GIABRN CCOc1ccc(S(=O)(=O)N[C@H](C)c2cccc(Br)c2)cc1C ZINC000020029931 570236053 /nfs/dbraw/zinc/23/60/53/570236053.db2.gz VAXSBISLZHDVQC-CYBMUJFWSA-N 0 0 398.322 4.196 40 0 GIABRN COc1ccc(SCC(=O)NCCSCc2ccccc2Cl)cc1 ZINC000020041851 570236886 /nfs/dbraw/zinc/23/68/86/570236886.db2.gz WPXZMLUJLDHGDS-UHFFFAOYSA-N 0 0 381.950 4.490 40 0 GIABRN O=C(Nc1ccc2ccccc2c1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000020039413 570237065 /nfs/dbraw/zinc/23/70/65/570237065.db2.gz XTDABYDMHBQFOV-UHFFFAOYSA-N 0 0 394.496 4.018 40 0 GIABRN CCOc1ccc(CCC(=O)NCCSCc2ccccc2)cc1OCC ZINC000020107513 570240060 /nfs/dbraw/zinc/24/00/60/570240060.db2.gz AKRLTBTWXWIRSX-UHFFFAOYSA-N 0 0 387.545 4.466 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)CSCc2ccc(OC)cc2)cc1Cl ZINC000020107302 570240083 /nfs/dbraw/zinc/24/00/83/570240083.db2.gz HCBLAWZLHWFKKG-UHFFFAOYSA-N 0 0 393.892 4.397 40 0 GIABRN CCCOc1cccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)c1 ZINC000020141490 570242782 /nfs/dbraw/zinc/24/27/82/570242782.db2.gz LNRZBPNDHKJXSR-UHFFFAOYSA-N 0 0 381.428 4.489 40 0 GIABRN COc1ccc(NC(=O)CSc2nnc(Cc3ccc(C)c(C)c3)o2)cc1 ZINC000020196889 570247067 /nfs/dbraw/zinc/24/70/67/570247067.db2.gz VLYONMSGXODYFP-UHFFFAOYSA-N 0 0 383.473 4.017 40 0 GIABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)c1 ZINC000020451886 570257367 /nfs/dbraw/zinc/25/73/67/570257367.db2.gz FUNARVUAPCPBQY-OAQYLSRUSA-N 0 0 380.532 4.345 40 0 GIABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000020453625 570258301 /nfs/dbraw/zinc/25/83/01/570258301.db2.gz NGBLHTFGFUANCR-QFIPXVFZSA-N 0 0 392.474 4.485 40 0 GIABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1C ZINC000020456334 570259207 /nfs/dbraw/zinc/25/92/07/570259207.db2.gz OVBVZMZGGJYEEQ-SFHVURJKSA-N 0 0 380.488 4.336 40 0 GIABRN COc1ccc(CCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000020460984 570260726 /nfs/dbraw/zinc/26/07/26/570260726.db2.gz DYSGSASCCMALQY-UHFFFAOYSA-N 0 0 383.469 4.009 40 0 GIABRN CC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1OC)c1ccc(OC)cc1 ZINC000020482157 570261775 /nfs/dbraw/zinc/26/17/75/570261775.db2.gz ACULMYQMAKOKGW-MDNBWPLSSA-N 0 0 385.460 4.002 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)c(Cl)c1 ZINC000020487685 570262440 /nfs/dbraw/zinc/26/24/40/570262440.db2.gz JBXREBIWIKTMBJ-KRWDZBQOSA-N 0 0 379.815 4.452 40 0 GIABRN O=C(/C=C/c1ccco1)N1CCC[C@@H](c2csc(Nc3ccccn3)n2)C1 ZINC000585293256 570262658 /nfs/dbraw/zinc/26/26/58/570262658.db2.gz YUJUOSYRZYZLOJ-XVJNWHFHSA-N 0 0 380.473 4.294 40 0 GIABRN Cc1csc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccccn4)o3)CC2)c1 ZINC000100155958 570267781 /nfs/dbraw/zinc/26/77/81/570267781.db2.gz BQRLMIJEWXZIAA-GASCZTMLSA-N 0 0 382.489 4.205 40 0 GIABRN CC(C)CC(=O)N[C@H](c1nccs1)[C@H]1CC[C@H](CNC(=O)C(C)(C)C)CC1 ZINC000100223402 570269443 /nfs/dbraw/zinc/26/94/43/570269443.db2.gz CCAMIKQEOJMPQN-JZXOWHBKSA-N 0 0 393.597 4.315 40 0 GIABRN CCCc1nnc2sc(-c3ccc(NC(=O)c4cccc(C)c4)cc3)nn12 ZINC000020609709 570271819 /nfs/dbraw/zinc/27/18/19/570271819.db2.gz FWPMMCQUZWPUFB-UHFFFAOYSA-N 0 0 377.473 4.366 40 0 GIABRN COc1ccc(-n2nc3ccc(NC(=O)CSc4ccccc4)cc3n2)cc1 ZINC000020610028 570271845 /nfs/dbraw/zinc/27/18/45/570271845.db2.gz DAPBMKJDWODHGV-UHFFFAOYSA-N 0 0 390.468 4.160 40 0 GIABRN O=C(COc1ccccc1F)Nc1cc2nn(-c3ccccc3)nc2cc1Cl ZINC000020610927 570272211 /nfs/dbraw/zinc/27/22/11/570272211.db2.gz VHMAQTPKLYTBED-UHFFFAOYSA-N 0 0 396.809 4.231 40 0 GIABRN O=C1OC(c2ccccc2)=N/C1=C/c1coc2c(Cl)cc(Cl)cc2c1=O ZINC000005647009 570272269 /nfs/dbraw/zinc/27/22/69/570272269.db2.gz GOWWBJKIOQWFMW-GIDUJCDVSA-N 0 0 386.190 4.444 40 0 GIABRN CC(C)Oc1cccc(NC(=O)c2cccc(I)c2)c1 ZINC000100449119 570272503 /nfs/dbraw/zinc/27/25/03/570272503.db2.gz ZXNNCEIWOSFXJQ-UHFFFAOYSA-N 0 0 381.213 4.331 40 0 GIABRN O=C1C[C@@H](c2ccco2)Cc2nc(N3CCC(Cc4ccccc4)CC3)ncc21 ZINC000020672998 570274347 /nfs/dbraw/zinc/27/43/47/570274347.db2.gz PICJUYPMOZEJQH-IBGZPJMESA-N 0 0 387.483 4.441 40 0 GIABRN O=C(Nc1nc([C@@H]2CCCN2Cc2ccccn2)cs1)c1ccc(F)cc1 ZINC000585295238 570275239 /nfs/dbraw/zinc/27/52/39/570275239.db2.gz REIBEGHDROPCLP-SFHVURJKSA-N 0 0 382.464 4.267 40 0 GIABRN Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3CC=CCC3)CC2)on1 ZINC000100744057 570275981 /nfs/dbraw/zinc/27/59/81/570275981.db2.gz NUKTZUAMEBTGKI-FGTMMUONSA-N 0 0 382.508 4.130 40 0 GIABRN O=C(OCC1c2ccccc2-c2ccccc21)N1CCc2c(Cl)ncnc2C1 ZINC000035269848 570279829 /nfs/dbraw/zinc/27/98/29/570279829.db2.gz CLGPSLGXJGUSPP-UHFFFAOYSA-N 0 0 391.858 4.437 40 0 GIABRN COc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@@H](c2cccc(C)c2)C4)cc1 ZINC000020796011 570280676 /nfs/dbraw/zinc/28/06/76/570280676.db2.gz ZRGRSKCILJPQDY-KRWDZBQOSA-N 0 0 384.439 4.021 40 0 GIABRN CC[C@H](C(=O)Nc1ccccc1C)n1nc(C)n2c(cc3cc(C)ccc32)c1=O ZINC000006803378 570285250 /nfs/dbraw/zinc/28/52/50/570285250.db2.gz QVGVNRJEPYGUOV-LJQANCHMSA-N 0 0 388.471 4.164 40 0 GIABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000021307621 570290023 /nfs/dbraw/zinc/29/00/23/570290023.db2.gz XXADPWNMLGPMEE-IBGZPJMESA-N 0 0 379.456 4.331 40 0 GIABRN COc1cc(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)cc2ccccc21 ZINC000002561171 570290941 /nfs/dbraw/zinc/29/09/41/570290941.db2.gz DQORNHPLFMGYMF-HNNXBMFYSA-N 0 0 378.428 4.102 40 0 GIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)NCCSc1ccc(Cl)cc1 ZINC000216333996 570299375 /nfs/dbraw/zinc/29/93/75/570299375.db2.gz QDHJNZUDCJPQEX-SFHVURJKSA-N 0 0 379.909 4.415 40 0 GIABRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1ccccc1 ZINC000003383233 570300031 /nfs/dbraw/zinc/30/00/31/570300031.db2.gz SNYBGJTWDZEAHC-UHFFFAOYSA-N 0 0 377.487 4.167 40 0 GIABRN COc1ccc(S[C@@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000216416719 570300868 /nfs/dbraw/zinc/30/08/68/570300868.db2.gz IKHVRDOWXKWNJX-AIADIJKESA-N 0 0 396.556 4.033 40 0 GIABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)C(C)(C)C ZINC000021580207 570306387 /nfs/dbraw/zinc/30/63/87/570306387.db2.gz AYAMALIUSFSOCP-UHFFFAOYSA-N 0 0 382.489 4.098 40 0 GIABRN COc1cccc(-c2nc3cc(NS(=O)(=O)c4ccccc4)ccc3o2)c1 ZINC000021579274 570306406 /nfs/dbraw/zinc/30/64/06/570306406.db2.gz IAJWJVZKLVAOFO-UHFFFAOYSA-N 0 0 380.425 4.304 40 0 GIABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc2c(c1)OCO2 ZINC000021580552 570306694 /nfs/dbraw/zinc/30/66/94/570306694.db2.gz OXVPJFKRGSAOKV-UHFFFAOYSA-N 0 0 387.395 4.220 40 0 GIABRN CCc1ccc(C(=O)NC(=S)Nc2c3nsnc3ccc2Cl)cc1 ZINC000021596083 570307198 /nfs/dbraw/zinc/30/71/98/570307198.db2.gz ZHLOPEOCIGTFSN-UHFFFAOYSA-N 0 0 376.894 4.034 40 0 GIABRN COc1ccc(O)c(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)c1 ZINC000021596040 570307202 /nfs/dbraw/zinc/30/72/02/570307202.db2.gz QRQVZXQSQRJLJR-FMIVXFBMSA-N 0 0 394.452 4.187 40 0 GIABRN CCn1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c2cc(OC)ccc21 ZINC000022235815 570309162 /nfs/dbraw/zinc/30/91/62/570309162.db2.gz BJWHSDFQXUNWQH-UHFFFAOYSA-N 0 0 390.361 4.301 40 0 GIABRN COc1ccc(OC)c(NC(=O)c2sc(N(C)c3ccccc3)nc2C)c1 ZINC000022245331 570310189 /nfs/dbraw/zinc/31/01/89/570310189.db2.gz MGNNBZLIYLPNAO-UHFFFAOYSA-N 0 0 383.473 4.489 40 0 GIABRN COC(=O)c1ccccc1NC(=O)c1sc(N(C)c2ccccc2)nc1C ZINC000022245355 570310232 /nfs/dbraw/zinc/31/02/32/570310232.db2.gz COIYDHOAOJTMEI-UHFFFAOYSA-N 0 0 381.457 4.258 40 0 GIABRN Cc1cc(N2CCCCC2)ncc1C(=O)CCCCNC(=O)OC(C)(C)C ZINC000072219260 570318030 /nfs/dbraw/zinc/31/80/30/570318030.db2.gz XDIKLKOCLOMCRG-UHFFFAOYSA-N 0 0 375.513 4.258 40 0 GIABRN Cc1cc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cnc1N1CCOCC1 ZINC000072219370 570318160 /nfs/dbraw/zinc/31/81/60/570318160.db2.gz SHXXIGPCYCAJMA-NRFANRHFSA-N 0 0 395.503 4.090 40 0 GIABRN CCOc1ccccc1CNC(=O)COc1cc(C)c(Br)c(C)c1 ZINC000022509006 570318715 /nfs/dbraw/zinc/31/87/15/570318715.db2.gz FYTWKSPPWDSEHU-UHFFFAOYSA-N 0 0 392.293 4.160 40 0 GIABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000022516110 570319319 /nfs/dbraw/zinc/31/93/19/570319319.db2.gz XTBMQCQOBLWXAT-UHFFFAOYSA-N 0 0 393.679 4.271 40 0 GIABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000022517017 570319615 /nfs/dbraw/zinc/31/96/15/570319615.db2.gz WFYVJLBEWMDBEK-NOENIZQJSA-N 0 0 392.543 4.318 40 0 GIABRN CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1OC ZINC000022525652 570320316 /nfs/dbraw/zinc/32/03/16/570320316.db2.gz XSMFIOREBFWBKQ-GOSISDBHSA-N 0 0 385.504 4.227 40 0 GIABRN COc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 ZINC000022527310 570320484 /nfs/dbraw/zinc/32/04/84/570320484.db2.gz UJJUKVYJICDEPS-ZIAGYGMSSA-N 0 0 375.490 4.070 40 0 GIABRN C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000022540705 570321908 /nfs/dbraw/zinc/32/19/08/570321908.db2.gz KWBJVIDXXRZMSC-VIFPVBQESA-N 0 0 388.748 4.314 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2C)cc1Br ZINC000044900236 570322545 /nfs/dbraw/zinc/32/25/45/570322545.db2.gz PYMRDIXVLVHLOO-CYBMUJFWSA-N 0 0 398.322 4.114 40 0 GIABRN O=C(NC1C2CC3CC(C2)CC1C3)c1nn(CC2CCOCC2)c2ccccc21 ZINC000575598582 570327726 /nfs/dbraw/zinc/32/77/26/570327726.db2.gz XFZLBNDGZVRJNJ-UHFFFAOYSA-N 0 0 393.531 4.017 40 0 in-vitro GIABRN O=C([C@@H](Sc1ccccc1)c1ccc(Br)cc1)N1CCOCC1 ZINC000003215119 570332720 /nfs/dbraw/zinc/33/27/20/570332720.db2.gz RCCVGJCFBMKPBB-KRWDZBQOSA-N 0 0 392.318 4.141 40 0 GIABRN CCCCCCNC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc21 ZINC000003310976 570338274 /nfs/dbraw/zinc/33/82/74/570338274.db2.gz JIBNPHKUAUQZGO-UHFFFAOYSA-N 0 0 387.487 4.466 40 0 GIABRN CCOC(=O)c1c(N)n(-c2ccccc2SC)c2nc3ccccc3nc21 ZINC000003321948 570339067 /nfs/dbraw/zinc/33/90/67/570339067.db2.gz ZKOIHSWIPPPZSC-UHFFFAOYSA-N 0 0 378.457 4.055 40 0 GIABRN Cc1cc(OCC(=O)NCc2cccc(OC(C)C)c2)ccc1Br ZINC000218824636 570341671 /nfs/dbraw/zinc/34/16/71/570341671.db2.gz KMCMZPMNBDLVRD-UHFFFAOYSA-N 0 0 392.293 4.240 40 0 GIABRN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000408574869 570342370 /nfs/dbraw/zinc/34/23/70/570342370.db2.gz MBSLLTUIDCFFHA-ZRDIBKRKSA-N 0 0 392.455 4.083 40 0 GIABRN COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 ZINC000219024594 570346140 /nfs/dbraw/zinc/34/61/40/570346140.db2.gz VDXBEKQSUKSQJB-IRXDYDNUSA-N 0 0 379.456 4.199 40 0 GIABRN CCOc1ccc(CNC(=O)[C@H](C)Oc2ccccc2Cl)cc1OCC ZINC000219052772 570347017 /nfs/dbraw/zinc/34/70/17/570347017.db2.gz SDTRUNTZNLWUKQ-AWEZNQCLSA-N 0 0 377.868 4.221 40 0 GIABRN Cc1cc(C)cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000003566035 570348515 /nfs/dbraw/zinc/34/85/15/570348515.db2.gz UFXHWEPGYNXHCP-UHFFFAOYSA-N 0 0 386.517 4.120 40 0 GIABRN CCc1ccccc1O[C@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219295508 570351670 /nfs/dbraw/zinc/35/16/70/570351670.db2.gz LJPSMDJLBNXBQZ-DNVCBOLYSA-N 0 0 383.488 4.444 40 0 GIABRN Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)cc(C)c3C)n2)cc1 ZINC000219304486 570353407 /nfs/dbraw/zinc/35/34/07/570353407.db2.gz ARFMCEOFXXANQH-SFHVURJKSA-N 0 0 393.487 4.396 40 0 GIABRN CC[C@@H](NC(=O)[C@@H](CC)Oc1cccc(OC)c1)c1ccc(OC)c(OC)c1 ZINC000219361303 570357055 /nfs/dbraw/zinc/35/70/55/570357055.db2.gz POFGFFDDLQYOKQ-RTBURBONSA-N 0 0 387.476 4.137 40 0 GIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1ccc(C)cc1C ZINC000219539281 570366370 /nfs/dbraw/zinc/36/63/70/570366370.db2.gz FEHRANBQEMUCRP-HNNXBMFYSA-N 0 0 385.489 4.231 40 0 GIABRN CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@@H](C)C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118924798 570368035 /nfs/dbraw/zinc/36/80/35/570368035.db2.gz ODVZWAWQENIRKD-RQAZEJQJSA-N 0 0 388.548 4.447 40 0 GIABRN Cc1cccc(CSCC(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 ZINC000023653998 570368798 /nfs/dbraw/zinc/36/87/98/570368798.db2.gz HVEQTROAVGDVKW-UHFFFAOYSA-N 0 0 382.529 4.493 40 0 GIABRN CC(=O)O[C@@]1(C(C)=O)CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118931168 570368849 /nfs/dbraw/zinc/36/88/49/570368849.db2.gz CQNXXURIGGLIOE-AYNVCCPXSA-N 0 0 376.537 4.281 40 0 GIABRN CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000219567665 570369149 /nfs/dbraw/zinc/36/91/49/570369149.db2.gz UCRWTUIDKLBPGO-DLBZAZTESA-N 0 0 387.476 4.137 40 0 GIABRN CC[C@H](Oc1ccccc1F)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000219584699 570369737 /nfs/dbraw/zinc/36/97/37/570369737.db2.gz YNJGNHNEPPTCPW-KRWDZBQOSA-N 0 0 383.423 4.000 40 0 GIABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)COc1ccc(OC)cc1 ZINC000219604776 570370372 /nfs/dbraw/zinc/37/03/72/570370372.db2.gz JXZGDJSMRZCGEU-KUHUBIRLSA-N 0 0 377.868 4.090 40 0 GIABRN CCCC[C@@H](CC)C(=O)OCCCNC(=O)[C@H](C)OC(=O)[C@@H](CC)CCCC ZINC000004429842 570375018 /nfs/dbraw/zinc/37/50/18/570375018.db2.gz PIVXTLFIOLOFOJ-OTWHNJEPSA-N 0 0 399.572 4.400 40 0 GIABRN CCCC[C@H](CC)C(=O)OCCNC(=O)[C@H](C)OC(=O)[C@@H](CC)CCCC ZINC000004428347 570375148 /nfs/dbraw/zinc/37/51/48/570375148.db2.gz XPCZYYMXPSFVJU-BZSNNMDCSA-N 0 0 385.545 4.010 40 0 GIABRN O=C(NCc1nc(-c2cccc(Br)c2)no1)c1cc2ccccc2o1 ZINC000219950381 570378537 /nfs/dbraw/zinc/37/85/37/570378537.db2.gz CYDZDEIZKIQADW-UHFFFAOYSA-N 0 0 398.216 4.175 40 0 GIABRN CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)CC1 ZINC000219993521 570380274 /nfs/dbraw/zinc/38/02/74/570380274.db2.gz DJCSGULIFLPHOM-UHFFFAOYSA-N 0 0 392.908 4.013 40 0 GIABRN CCCN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)OC)ccc3C)o2)C1=O ZINC000006657335 570380380 /nfs/dbraw/zinc/38/03/80/570380380.db2.gz UCSLRWBWSSXYSN-GZTJUZNOSA-N 0 0 385.441 4.488 40 0 GIABRN CCc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)cc1 ZINC000220275379 570384288 /nfs/dbraw/zinc/38/42/88/570384288.db2.gz GVCDNEZHOCZGQP-MRXNPFEDSA-N 0 0 388.533 4.166 40 0 GIABRN Cc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCCc2ccccc2)cc1 ZINC000005032019 570401390 /nfs/dbraw/zinc/40/13/90/570401390.db2.gz RZPPZEDHHUSBEX-MOHJPFBDSA-N 0 0 398.506 4.433 40 0 GIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000222443773 570410889 /nfs/dbraw/zinc/41/08/89/570410889.db2.gz DSMRVMDWGJPSDB-QHCPKHFHSA-N 0 0 394.559 4.486 40 0 GIABRN Cc1ccc(Cl)cc1NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000222552627 570414175 /nfs/dbraw/zinc/41/41/75/570414175.db2.gz OAZBOXNLJBVSEM-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 ZINC000222554074 570414208 /nfs/dbraw/zinc/41/42/08/570414208.db2.gz QAVWKMMDOXXVRU-QGZVFWFLSA-N 0 0 394.515 4.357 40 0 GIABRN CCCOc1cc2c(cc1[C@@H]1[C@@H](c3ccccn3)N=C3S[C@@H](C)CN31)OCO2 ZINC000222567200 570414709 /nfs/dbraw/zinc/41/47/09/570414709.db2.gz IKIPGGZFXIEIDM-CJMONDIMSA-N 0 0 397.500 4.188 40 0 GIABRN COc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OC ZINC000222573197 570415076 /nfs/dbraw/zinc/41/50/76/570415076.db2.gz CRWYQJVFDJPHPJ-JECHBYEQSA-N 0 0 389.908 4.342 40 0 GIABRN COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 ZINC000222625639 570417532 /nfs/dbraw/zinc/41/75/32/570417532.db2.gz TWIDZZDPIISSGL-IWMITWMQSA-N 0 0 390.512 4.470 40 0 GIABRN O=C(CCc1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)c1ccccc1 ZINC000222643367 570418094 /nfs/dbraw/zinc/41/80/94/570418094.db2.gz FKFKEKKQTOWAMS-UHFFFAOYSA-N 0 0 387.435 4.260 40 0 GIABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC)c(C)c3OC)N21 ZINC000222648554 570418777 /nfs/dbraw/zinc/41/87/77/570418777.db2.gz KNQAIXIYGHGFLO-ZOCIIQOWSA-N 0 0 383.517 4.387 40 0 GIABRN CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4O[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004946287 570419323 /nfs/dbraw/zinc/41/93/23/570419323.db2.gz WNFQIRIRYYIJSG-LAEBUNBRSA-N 0 0 378.509 4.229 40 0 GIABRN Cc1ccc(C)c(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222663269 570419310 /nfs/dbraw/zinc/41/93/10/570419310.db2.gz GGJYCTMNLHCDKA-IBGZPJMESA-N 0 0 396.531 4.014 40 0 GIABRN Cc1cccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1C ZINC000222672885 570419825 /nfs/dbraw/zinc/41/98/25/570419825.db2.gz QHFFXQQLXQTHSV-IBGZPJMESA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccccn3)N21 ZINC000222670606 570419925 /nfs/dbraw/zinc/41/99/25/570419925.db2.gz JKOOCAAOTJKZHR-RYGJVYDSSA-N 0 0 375.501 4.247 40 0 GIABRN COCc1cccc(NC(=O)COc2ccc(Br)cc2Cl)c1 ZINC000025822844 570420137 /nfs/dbraw/zinc/42/01/37/570420137.db2.gz ZOESKYHBWCPQRC-UHFFFAOYSA-N 0 0 384.657 4.266 40 0 GIABRN Cc1ccccc1CN(C(=O)COc1ccccc1C)[C@H](C)C(=O)NC(C)(C)C ZINC000222675468 570420263 /nfs/dbraw/zinc/42/02/63/570420263.db2.gz BRHWTGSYYNJXNW-LJQANCHMSA-N 0 0 396.531 4.014 40 0 GIABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 ZINC000222682755 570420443 /nfs/dbraw/zinc/42/04/43/570420443.db2.gz TXIDLPMBVHVTME-CQSZACIVSA-N 0 0 393.314 4.008 40 0 GIABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000222711280 570421840 /nfs/dbraw/zinc/42/18/40/570421840.db2.gz XBCVXRYESYJIQR-CXAGYDPISA-N 0 0 375.852 4.146 40 0 GIABRN CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)c1 ZINC000222719183 570422219 /nfs/dbraw/zinc/42/22/19/570422219.db2.gz NZTWNPLNPVEJDU-UHFFFAOYSA-N 0 0 399.468 4.134 40 0 GIABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1Cc1ccccc1 ZINC000222736497 570422863 /nfs/dbraw/zinc/42/28/63/570422863.db2.gz HYWCCZGDPOFQJR-RTWAWAEBSA-N 0 0 376.529 4.151 40 0 GIABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000222735740 570422952 /nfs/dbraw/zinc/42/29/52/570422952.db2.gz VBUCYKHIJXVZLR-KSSFIOAISA-N 0 0 389.879 4.454 40 0 GIABRN O=C(N[C@@H]1CCCc2ccccc21)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000005001804 570423243 /nfs/dbraw/zinc/42/32/43/570423243.db2.gz JNGXYMBQIPGSMZ-LJQANCHMSA-N 0 0 375.472 4.252 40 0 GIABRN Cc1cc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C)ccc1Cl ZINC000222755279 570424065 /nfs/dbraw/zinc/42/40/65/570424065.db2.gz MIFZMUJLYSFEBF-MOPGFXCFSA-N 0 0 382.920 4.436 40 0 GIABRN CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)o2)cc1 ZINC000222758154 570424392 /nfs/dbraw/zinc/42/43/92/570424392.db2.gz RIEQACAJAHZBOU-UXHICEINSA-N 0 0 379.485 4.343 40 0 GIABRN CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC ZINC000222787436 570425890 /nfs/dbraw/zinc/42/58/90/570425890.db2.gz NDWCMBMVRPLWDD-GOSISDBHSA-N 0 0 393.314 4.089 40 0 GIABRN COc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)c(C)c1C ZINC000222821459 570427615 /nfs/dbraw/zinc/42/76/15/570427615.db2.gz MYTJZSGZPFLIRI-UHFFFAOYSA-N 0 0 399.965 4.177 40 0 GIABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000222825882 570427953 /nfs/dbraw/zinc/42/79/53/570427953.db2.gz RVTREKUTJGXSEM-AWEZNQCLSA-N 0 0 393.314 4.437 40 0 GIABRN COc1cccc(NC(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000005111201 570429858 /nfs/dbraw/zinc/42/98/58/570429858.db2.gz CUQKPFXCLJOVQX-UHFFFAOYSA-N 0 0 377.396 4.283 40 0 GIABRN CSc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1NC(C)=O ZINC000222887861 570430185 /nfs/dbraw/zinc/43/01/85/570430185.db2.gz RMUBXPSQBIMPGE-UHFFFAOYSA-N 0 0 378.519 4.291 40 0 GIABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)n1-c1cccnc1 ZINC000222912929 570431294 /nfs/dbraw/zinc/43/12/94/570431294.db2.gz KMQVSCNPIVYPPW-SFTDATJTSA-N 0 0 391.544 4.204 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222965406 570433687 /nfs/dbraw/zinc/43/36/87/570433687.db2.gz INBPHVHVZLQVQI-GOSISDBHSA-N 0 0 393.314 4.089 40 0 GIABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000222969662 570433960 /nfs/dbraw/zinc/43/39/60/570433960.db2.gz BBLHOWMMOGTIDO-IBGZPJMESA-N 0 0 385.504 4.227 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 ZINC000222968714 570433997 /nfs/dbraw/zinc/43/39/97/570433997.db2.gz FABOHCYGPKCNSC-HXUWFJFHSA-N 0 0 384.545 4.031 40 0 GIABRN O=c1cc(Nc2cccc(C(F)(F)F)c2)nc2ccc(Br)cn12 ZINC000005338062 570434679 /nfs/dbraw/zinc/43/46/79/570434679.db2.gz LGEVZNKGPYTELZ-UHFFFAOYSA-N 0 0 384.155 4.219 40 0 GIABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000223002701 570436665 /nfs/dbraw/zinc/43/66/65/570436665.db2.gz JBBREXZSARASCW-SFHVURJKSA-N 0 0 399.878 4.481 40 0 GIABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCC2)c1C ZINC000223004599 570436675 /nfs/dbraw/zinc/43/66/75/570436675.db2.gz AWXKHRQBDYWURA-RTWAWAEBSA-N 0 0 398.576 4.234 40 0 GIABRN CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CC ZINC000223052846 570440225 /nfs/dbraw/zinc/44/02/25/570440225.db2.gz KWNMYQSVWIUYEF-QFIPXVFZSA-N 0 0 380.532 4.343 40 0 GIABRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)C(C)C ZINC000223057696 570440630 /nfs/dbraw/zinc/44/06/30/570440630.db2.gz LDKLOYJCZUOERO-QFIPXVFZSA-N 0 0 380.532 4.055 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 ZINC000223062412 570441178 /nfs/dbraw/zinc/44/11/78/570441178.db2.gz FPZOXAFVHXYCSZ-HXUWFJFHSA-N 0 0 384.545 4.031 40 0 GIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCSCc1ccccc1 ZINC000223094656 570443197 /nfs/dbraw/zinc/44/31/97/570443197.db2.gz PQWCFVHNCSOJFL-NRFANRHFSA-N 0 0 398.572 4.172 40 0 GIABRN COc1ccc(CCNC(=O)c2cc3cc4ccccc4nc3s2)cc1OC ZINC000223127553 570445113 /nfs/dbraw/zinc/44/51/13/570445113.db2.gz ZLHNGPPHTPEYLL-UHFFFAOYSA-N 0 0 392.480 4.439 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1cc(C)ccc1C ZINC000223128803 570445166 /nfs/dbraw/zinc/44/51/66/570445166.db2.gz IBHSVGIJASRSMF-RTBURBONSA-N 0 0 398.522 4.317 40 0 GIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 ZINC000223137501 570445953 /nfs/dbraw/zinc/44/59/53/570445953.db2.gz LOIJKXKOBDLHTJ-HXUWFJFHSA-N 0 0 386.923 4.053 40 0 GIABRN Cc1cc(C)cc(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223132720 570446047 /nfs/dbraw/zinc/44/60/47/570446047.db2.gz QTYPALUMOIRKFH-FQEVSTJZSA-N 0 0 394.559 4.220 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1cccc(C)c1 ZINC000223141543 570446295 /nfs/dbraw/zinc/44/62/95/570446295.db2.gz ODXSLMQYHVFYFB-ZWKOTPCHSA-N 0 0 384.495 4.009 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccccc1 ZINC000223178943 570448521 /nfs/dbraw/zinc/44/85/21/570448521.db2.gz LLUCFYWNIQBKHF-NRFANRHFSA-N 0 0 396.531 4.096 40 0 GIABRN COc1cc(C)c(S(=O)(=O)Nc2ccc(Br)c(C)c2)cc1C ZINC000223179037 570448686 /nfs/dbraw/zinc/44/86/86/570448686.db2.gz NCLOVFKSMFBJOT-UHFFFAOYSA-N 0 0 384.295 4.184 40 0 GIABRN Cc1ccc(-c2onc(C(=O)c3ccco3)c2S(=O)(=O)c2ccccc2)cc1 ZINC000005617898 570449018 /nfs/dbraw/zinc/44/90/18/570449018.db2.gz RIHAIHGIRNFECS-UHFFFAOYSA-N 0 0 393.420 4.307 40 0 GIABRN C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000005710682 570452205 /nfs/dbraw/zinc/45/22/05/570452205.db2.gz IPLIBOCWCCYHBR-QGZVFWFLSA-N 0 0 376.456 4.082 40 0 GIABRN CC(=O)[C@@]1(c2ccccc2)N(C(=O)c2ccccc2)[C@@]1(C)C(=O)c1ccccc1 ZINC000005712681 570452685 /nfs/dbraw/zinc/45/26/85/570452685.db2.gz VLXVKEBXCMSSFW-NPGWBMRXSA-N 0 0 383.447 4.269 40 0 GIABRN Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000223291469 570456221 /nfs/dbraw/zinc/45/62/21/570456221.db2.gz SWKYKHYXVDZFOO-UHFFFAOYSA-N 0 0 398.528 4.218 40 0 GIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223312917 570457710 /nfs/dbraw/zinc/45/77/10/570457710.db2.gz WGDGVPBSBNMMQS-OAQYLSRUSA-N 0 0 398.522 4.399 40 0 GIABRN COc1ccccc1NC(=O)CSc1nc2cc(OC)c(OC)cc2cc1C ZINC000035292435 570459187 /nfs/dbraw/zinc/45/91/87/570459187.db2.gz JWRULJNANVGUIM-UHFFFAOYSA-N 0 0 398.484 4.300 40 0 GIABRN CC(C)Oc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1 ZINC000223338284 570459478 /nfs/dbraw/zinc/45/94/78/570459478.db2.gz INPCQOMOZWHDIS-QNGOZBTKSA-N 0 0 390.439 4.476 40 0 GIABRN C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000026964932 570459820 /nfs/dbraw/zinc/45/98/20/570459820.db2.gz QEEBRPGZBVVINN-FZCVUQAVSA-N 0 0 386.532 4.242 40 0 GIABRN CCCc1nc2ccccc2c(SCC(=O)c2ccc3c(c2)OCCO3)n1 ZINC000035291572 570460203 /nfs/dbraw/zinc/46/02/03/570460203.db2.gz RFKKKFPNQLKVFQ-UHFFFAOYSA-N 0 0 380.469 4.329 40 0 GIABRN COc1ccc(-c2nc3c(cc(Br)cc3Br)[nH]2)cc1N ZINC000226343815 570460231 /nfs/dbraw/zinc/46/02/31/570460231.db2.gz HLJZTHMCJCHVST-UHFFFAOYSA-N 0 0 397.070 4.346 40 0 GIABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)o2)cc1 ZINC000223407907 570464389 /nfs/dbraw/zinc/46/43/89/570464389.db2.gz IQZASWOQDRWMBD-VQTJNVASSA-N 0 0 379.485 4.164 40 0 GIABRN COC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000028823099 570464766 /nfs/dbraw/zinc/46/47/66/570464766.db2.gz DXUZZMIANHJYIU-NRFANRHFSA-N 0 0 377.509 4.212 40 0 GIABRN COc1ccc(Cl)cc1S(=O)(=O)NCCCc1cccc(OC(C)C)c1 ZINC000223440819 570466342 /nfs/dbraw/zinc/46/63/42/570466342.db2.gz HWGPNUAAIRPKLX-UHFFFAOYSA-N 0 0 397.924 4.047 40 0 GIABRN CCCCOC(=O)c1ccc(NC(=O)COc2cccc3cccnc32)cc1 ZINC000006128072 570466764 /nfs/dbraw/zinc/46/67/64/570466764.db2.gz LFYGFNDRSWOWOJ-UHFFFAOYSA-N 0 0 378.428 4.209 40 0 GIABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1c2ccccc2C[C@@H]1C ZINC000223497416 570468553 /nfs/dbraw/zinc/46/85/53/570468553.db2.gz MMNUGYOSXMYOAB-RBUKOAKNSA-N 0 0 392.543 4.290 40 0 GIABRN COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)ccc1Cl ZINC000223493853 570468784 /nfs/dbraw/zinc/46/87/84/570468784.db2.gz REKOGFLYPDRTJN-AWEZNQCLSA-N 0 0 395.908 4.091 40 0 GIABRN COc1ccc(OC)c(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)c1 ZINC000035314595 570469015 /nfs/dbraw/zinc/46/90/15/570469015.db2.gz RGXAAUBREDCCLY-UHFFFAOYSA-N 0 0 397.500 4.169 40 0 GIABRN Cc1ccc(C)c(C(=O)NCc2nc(-c3cccc(Br)c3)no2)c1 ZINC000223511119 570469063 /nfs/dbraw/zinc/46/90/63/570469063.db2.gz YZFOOCGFAIHUSM-UHFFFAOYSA-N 0 0 386.249 4.046 40 0 GIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000223544027 570470375 /nfs/dbraw/zinc/47/03/75/570470375.db2.gz DHYSQROSBTXJMQ-IBGZPJMESA-N 0 0 388.511 4.326 40 0 GIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000223598671 570473586 /nfs/dbraw/zinc/47/35/86/570473586.db2.gz ODVIVLAVQSWXRH-QFIPXVFZSA-N 0 0 392.499 4.488 40 0 GIABRN Cc1cccc(CS(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)C)cc3)no2)c1 ZINC000223625990 570474960 /nfs/dbraw/zinc/47/49/60/570474960.db2.gz WQXFRCXEDXLYDV-UHFFFAOYSA-N 0 0 399.516 4.130 40 0 GIABRN CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1 ZINC000223653577 570477084 /nfs/dbraw/zinc/47/70/84/570477084.db2.gz LNPCGNFFRSPRRI-UHFFFAOYSA-N 0 0 391.489 4.105 40 0 GIABRN COc1ccc(/C=C/C(=O)NCCOc2ccccc2C(C)(C)C)cc1OC ZINC000223665640 570477610 /nfs/dbraw/zinc/47/76/10/570477610.db2.gz VCSYZLJPYKZAIE-ACCUITESSA-N 0 0 383.488 4.210 40 0 GIABRN CC(=O)c1ccc(-c2ccc(C=C3NC(=O)N(Cc4ccccc4)C3=O)o2)cc1 ZINC000006363666 570478177 /nfs/dbraw/zinc/47/81/77/570478177.db2.gz LIEUMJHIWFYDJH-DEDYPNTBSA-N 0 0 386.407 4.242 40 0 GIABRN CSc1ccc(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)cc1 ZINC000223692043 570479211 /nfs/dbraw/zinc/47/92/11/570479211.db2.gz UOTGOHOILFJNEZ-UHFFFAOYSA-N 0 0 379.547 4.063 40 0 GIABRN COc1ccc(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)cc1Cl ZINC000223691891 570479251 /nfs/dbraw/zinc/47/92/51/570479251.db2.gz NZYYKOIJZGMXQH-UHFFFAOYSA-N 0 0 397.924 4.003 40 0 GIABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccccc1C(C)(C)C ZINC000223700352 570479766 /nfs/dbraw/zinc/47/97/66/570479766.db2.gz LZAZOLCCYHXRJU-FQEVSTJZSA-N 0 0 385.504 4.345 40 0 GIABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000223718674 570481023 /nfs/dbraw/zinc/48/10/23/570481023.db2.gz AYAGRXNCSNKJIW-QFIPXVFZSA-N 0 0 394.559 4.302 40 0 GIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl ZINC000223725153 570481565 /nfs/dbraw/zinc/48/15/65/570481565.db2.gz CFMRJUOYSQAZBP-CQSZACIVSA-N 0 0 393.314 4.089 40 0 GIABRN COc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C ZINC000223736572 570482151 /nfs/dbraw/zinc/48/21/51/570482151.db2.gz VUXRYACDVVWEDV-MSOLQXFVSA-N 0 0 385.504 4.478 40 0 GIABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000223755372 570483102 /nfs/dbraw/zinc/48/31/02/570483102.db2.gz ONJDPFODWSRQQP-KRWDZBQOSA-N 0 0 398.934 4.359 40 0 GIABRN Cc1cc(I)cnc1NC(=O)c1cccc(OC(C)C)c1 ZINC000006572493 570484012 /nfs/dbraw/zinc/48/40/12/570484012.db2.gz LPEOICASIDPXIC-UHFFFAOYSA-N 0 0 396.228 4.034 40 0 GIABRN Cc1cccc(CN(C(=O)Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223807213 570485218 /nfs/dbraw/zinc/48/52/18/570485218.db2.gz NIIRLWKPGMLXKX-GOSISDBHSA-N 0 0 396.506 4.153 40 0 GIABRN O=C1S/C(=C/c2ccccn2)C(=O)N1Cc1ccc(Br)cc1 ZINC000006616598 570485370 /nfs/dbraw/zinc/48/53/70/570485370.db2.gz ARYDSZBNCPOIAP-NTEUORMPSA-N 0 0 375.247 4.081 40 0 GIABRN O=C(CN1c2cccc3cccc(c23)C1=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000223829286 570485789 /nfs/dbraw/zinc/48/57/89/570485789.db2.gz SXMGPUFPOCVFTO-UHFFFAOYSA-N 0 0 393.446 4.425 40 0 GIABRN CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCCCC)cc2)C1=O ZINC000006650954 570485887 /nfs/dbraw/zinc/48/58/87/570485887.db2.gz AAAGAINURYGNLT-LGMDPLHJSA-N 0 0 391.489 4.245 40 0 GIABRN CCN(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000006636604 570485901 /nfs/dbraw/zinc/48/59/01/570485901.db2.gz OWFAIBWJDPDOOP-UHFFFAOYSA-N 0 0 396.512 4.106 40 0 GIABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Cc1ccc(Cl)cc1F ZINC000223867827 570487916 /nfs/dbraw/zinc/48/79/16/570487916.db2.gz HUJHTRIZDDMXCY-KRWDZBQOSA-N 0 0 377.843 4.449 40 0 GIABRN Cc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC000223924465 570490559 /nfs/dbraw/zinc/49/05/59/570490559.db2.gz HQJDSFDFJXOWJC-QGZVFWFLSA-N 0 0 394.496 4.287 40 0 GIABRN Cc1cccc(OCCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1C ZINC000223950685 570491402 /nfs/dbraw/zinc/49/14/02/570491402.db2.gz NGAZZBXERXFQGP-OAHLLOKOSA-N 0 0 392.293 4.028 40 0 GIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccs2)N1c1ccc2c(c1)OCO2 ZINC000223999569 570493743 /nfs/dbraw/zinc/49/37/43/570493743.db2.gz KCVIXYHFSFRCBJ-ROUUACIJSA-N 0 0 381.482 4.049 40 0 GIABRN CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000224021422 570494937 /nfs/dbraw/zinc/49/49/37/570494937.db2.gz NCDKOQNCGVHWRS-SFHVURJKSA-N 0 0 394.581 4.116 40 0 GIABRN Cc1ccnc(NC(=S)NCC2(c3cccc(Cl)c3)CCOCC2)c1 ZINC000224020780 570495061 /nfs/dbraw/zinc/49/50/61/570495061.db2.gz QMTYARBHKYXXAQ-UHFFFAOYSA-N 0 0 375.925 4.078 40 0 GIABRN CCC[C@@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224031845 570495330 /nfs/dbraw/zinc/49/53/30/570495330.db2.gz UESXTWPAVILVEE-CYBMUJFWSA-N 0 0 380.897 4.059 40 0 GIABRN CCC(CC)NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224035962 570495933 /nfs/dbraw/zinc/49/59/33/570495933.db2.gz AVLWJVZVGLCHSJ-UHFFFAOYSA-N 0 0 380.897 4.059 40 0 GIABRN CCCOc1ccccc1CCCNC(=O)C1(c2ccccc2)CCOCC1 ZINC000224082044 570497669 /nfs/dbraw/zinc/49/76/69/570497669.db2.gz OSVJZHKBKVEUQP-UHFFFAOYSA-N 0 0 381.516 4.273 40 0 GIABRN Cc1cc(C)cc(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000224087281 570497973 /nfs/dbraw/zinc/49/79/73/570497973.db2.gz YXDGYZBRYHXLEA-GOSISDBHSA-N 0 0 398.522 4.317 40 0 GIABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000030861084 570499199 /nfs/dbraw/zinc/49/91/99/570499199.db2.gz OAEKQGWFFOGGOP-QHCPKHFHSA-N 0 0 392.474 4.485 40 0 GIABRN Cc1cccc(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000224112308 570499489 /nfs/dbraw/zinc/49/94/89/570499489.db2.gz ZMFGDLNJPWQTLW-HXUWFJFHSA-N 0 0 392.543 4.056 40 0 GIABRN Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000224122549 570499805 /nfs/dbraw/zinc/49/98/05/570499805.db2.gz PVDMYWNUKWKFQL-UHFFFAOYSA-N 0 0 394.496 4.097 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1cccc(C)c1 ZINC000224132992 570500189 /nfs/dbraw/zinc/50/01/89/570500189.db2.gz SFJGCOXRPXRWDE-NRFANRHFSA-N 0 0 398.572 4.172 40 0 GIABRN COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(C)c2)cc1 ZINC000030870893 570500286 /nfs/dbraw/zinc/50/02/86/570500286.db2.gz QVBMIUQXMHNWAM-LJQANCHMSA-N 0 0 377.506 4.078 40 0 GIABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000224158603 570501463 /nfs/dbraw/zinc/50/14/63/570501463.db2.gz WJZOQSIPXSFFFH-QFIPXVFZSA-N 0 0 376.456 4.477 40 0 GIABRN O=C(COc1ccc2c(c1)CCCC2)Nc1ccccc1C(=O)N1CCCCC1 ZINC000224160087 570501540 /nfs/dbraw/zinc/50/15/40/570501540.db2.gz GEZMWJFEZHUQRF-UHFFFAOYSA-N 0 0 392.499 4.209 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224174840 570502321 /nfs/dbraw/zinc/50/23/21/570502321.db2.gz LPIVAVZQWGALLS-HXUWFJFHSA-N 0 0 380.532 4.035 40 0 GIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 ZINC000224180764 570502631 /nfs/dbraw/zinc/50/26/31/570502631.db2.gz MVIPFJQXZWCSES-QFIPXVFZSA-N 0 0 380.532 4.098 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224200346 570503520 /nfs/dbraw/zinc/50/35/20/570503520.db2.gz BRECNMHTFPXBML-FQEVSTJZSA-N 0 0 380.532 4.035 40 0 GIABRN CC(C)(C)OC(=O)N1CCC[C@H](COc2nc3ccccc3nc2Cl)C1 ZINC000043220432 570503519 /nfs/dbraw/zinc/50/35/19/570503519.db2.gz VMDLTVXAQFLVST-ZDUSSCGKSA-N 0 0 377.872 4.309 40 0 GIABRN CCOC(=O)[C@@H](CC)Sc1nnc(COc2ccccc2)n1-c1ccccc1 ZINC000000876606 570503959 /nfs/dbraw/zinc/50/39/59/570503959.db2.gz UJRHHTYJTMHXEA-GOSISDBHSA-N 0 0 397.500 4.280 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(CC)cc1 ZINC000224217441 570504048 /nfs/dbraw/zinc/50/40/48/570504048.db2.gz ODXSDOWRRSMHDC-HSZRJFAPSA-N 0 0 394.559 4.434 40 0 GIABRN COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1cccc(C)c1 ZINC000224230483 570504969 /nfs/dbraw/zinc/50/49/69/570504969.db2.gz PBWBTKBUPXCHGH-NHCUHLMSSA-N 0 0 392.528 4.015 40 0 GIABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C ZINC000224259903 570505982 /nfs/dbraw/zinc/50/59/82/570505982.db2.gz ITXPVGDMIQLGDQ-JOCHJYFZSA-N 0 0 380.532 4.098 40 0 GIABRN Cc1ccccc1NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1 ZINC000224288025 570507420 /nfs/dbraw/zinc/50/74/20/570507420.db2.gz QTAQQERCKLBRFX-UHFFFAOYSA-N 0 0 394.496 4.381 40 0 GIABRN COc1ccc([C@H](CC(=O)c2ccccc2)SCCN2CCOCC2)cc1 ZINC000031949294 570507604 /nfs/dbraw/zinc/50/76/04/570507604.db2.gz KWHNNNWHUCDZCS-QFIPXVFZSA-N 0 0 385.529 4.075 40 0 GIABRN Cc1nccn1-c1ccccc1CNC(=O)[C@H](C)Oc1cccc2c1CCCC2 ZINC000224316215 570508689 /nfs/dbraw/zinc/50/86/89/570508689.db2.gz LXQNYTFEHFMUMB-KRWDZBQOSA-N 0 0 389.499 4.143 40 0 GIABRN CCCC[C@@H](CC)CNC(=O)[C@@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000224312330 570508782 /nfs/dbraw/zinc/50/87/82/570508782.db2.gz BROKJXCUUYGIJY-UYAOXDASSA-N 0 0 396.597 4.181 40 0 GIABRN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)OC1CCCCC1 ZINC000000886436 570510853 /nfs/dbraw/zinc/51/08/53/570510853.db2.gz RBAJBINBCKHELC-UHFFFAOYSA-N 0 0 394.500 4.297 40 0 GIABRN COc1cc(C)c(S(=O)(=O)Nc2ccc(Br)c(C)c2)c(C)c1 ZINC000224390534 570511750 /nfs/dbraw/zinc/51/17/50/570511750.db2.gz ROOSPAPYAUYADU-UHFFFAOYSA-N 0 0 384.295 4.184 40 0 GIABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000224438161 570513067 /nfs/dbraw/zinc/51/30/67/570513067.db2.gz UTZAWJGPKRIOOG-SCLBCKFNSA-N 0 0 377.868 4.392 40 0 GIABRN COc1ccc(C(=O)CSc2nnc(CNc3ccc(Cl)cc3)o2)cc1 ZINC000000897278 570513344 /nfs/dbraw/zinc/51/33/44/570513344.db2.gz JGMGWBGIYOQKPL-UHFFFAOYSA-N 0 0 389.864 4.319 40 0 GIABRN CC[C@H](Oc1ccccc1Cl)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000224467382 570514792 /nfs/dbraw/zinc/51/47/92/570514792.db2.gz DPTKUBRDMOFINV-IBGZPJMESA-N 0 0 387.907 4.362 40 0 GIABRN CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1ccccc1Cl ZINC000224475902 570515313 /nfs/dbraw/zinc/51/53/13/570515313.db2.gz PRITXTIBCRDQRD-KRWDZBQOSA-N 0 0 389.879 4.227 40 0 GIABRN Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 ZINC000000905357 570515783 /nfs/dbraw/zinc/51/57/83/570515783.db2.gz RVSGYRIRSLBXCB-UHFFFAOYSA-N 0 0 394.456 4.219 40 0 GIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000224554434 570518052 /nfs/dbraw/zinc/51/80/52/570518052.db2.gz IWAPXQZZCVQQNI-JOCHJYFZSA-N 0 0 380.532 4.117 40 0 GIABRN COc1cc(C)c(S(=O)(=O)N[C@H](C)CC(C)(C)c2ccccc2)c(C)c1 ZINC000224576312 570519005 /nfs/dbraw/zinc/51/90/05/570519005.db2.gz VIWZBXALAIOFBP-QGZVFWFLSA-N 0 0 375.534 4.347 40 0 GIABRN CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1OC ZINC000224585394 570519251 /nfs/dbraw/zinc/51/92/51/570519251.db2.gz CFIVPAPXNXJMSC-PMACEKPBSA-N 0 0 378.501 4.089 40 0 GIABRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 ZINC000224616689 570520863 /nfs/dbraw/zinc/52/08/63/570520863.db2.gz IDFAAYBIJPIRDG-UHFFFAOYSA-N 0 0 390.288 4.226 40 0 GIABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000224642686 570522047 /nfs/dbraw/zinc/52/20/47/570522047.db2.gz XQLBLMIMLYWTHQ-IBGZPJMESA-N 0 0 378.516 4.095 40 0 GIABRN C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1 ZINC000224643057 570522258 /nfs/dbraw/zinc/52/22/58/570522258.db2.gz NNJOMPZTFIBRHM-QGZVFWFLSA-N 0 0 398.934 4.359 40 0 GIABRN CCOc1ccc(C(=O)N2CCN(CC)CC2)cc1CSc1ccccc1 ZINC000224656588 570523078 /nfs/dbraw/zinc/52/30/78/570523078.db2.gz LVYGGKJMIFLJPC-UHFFFAOYSA-N 0 0 384.545 4.155 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224670886 570523613 /nfs/dbraw/zinc/52/36/13/570523613.db2.gz VJDVFDKGHAEEDY-FQEVSTJZSA-N 0 0 392.543 4.404 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 ZINC000224690716 570524793 /nfs/dbraw/zinc/52/47/93/570524793.db2.gz BFTGKPQMLOKJIW-HXUWFJFHSA-N 0 0 380.532 4.180 40 0 GIABRN COC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000224695564 570525424 /nfs/dbraw/zinc/52/54/24/570525424.db2.gz SMYDCGNSLQONBM-UHFFFAOYSA-N 0 0 395.480 4.030 40 0 GIABRN CCOCc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1OCC ZINC000224701384 570525565 /nfs/dbraw/zinc/52/55/65/570525565.db2.gz WBESFNKBKCDZEN-UHFFFAOYSA-N 0 0 396.531 4.201 40 0 GIABRN Cc1cccc(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000224702962 570525619 /nfs/dbraw/zinc/52/56/19/570525619.db2.gz TYKVGYFHWYTHAT-GOSISDBHSA-N 0 0 396.506 4.153 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 ZINC000224704202 570526160 /nfs/dbraw/zinc/52/61/60/570526160.db2.gz PGTHWWVTICODDN-FQEVSTJZSA-N 0 0 380.532 4.098 40 0 GIABRN CC1=C(C(=O)OC(C)(C)C)C(c2ccco2)C(C(=O)OC(C)(C)C)=C(C)N1 ZINC000033625134 570527993 /nfs/dbraw/zinc/52/79/93/570527993.db2.gz GAYWXCUVUPUVGR-UHFFFAOYSA-N 0 0 375.465 4.198 40 0 GIABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 ZINC000224770493 570529876 /nfs/dbraw/zinc/52/98/76/570529876.db2.gz ZGEJMTDICJFEMS-FQEVSTJZSA-N 0 0 394.559 4.434 40 0 GIABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)o2)c(OC)c1 ZINC000224794068 570530711 /nfs/dbraw/zinc/53/07/11/570530711.db2.gz YZXUWZQSCQSUDF-PMACEKPBSA-N 0 0 395.484 4.177 40 0 GIABRN CCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224788693 570530990 /nfs/dbraw/zinc/53/09/90/570530990.db2.gz LVSNBHGJMOZLHZ-QFIPXVFZSA-N 0 0 378.516 4.095 40 0 GIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C ZINC000224812202 570531848 /nfs/dbraw/zinc/53/18/48/570531848.db2.gz YABFAUVHLLIGHI-QGZVFWFLSA-N 0 0 386.923 4.134 40 0 GIABRN CCC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224841912 570533656 /nfs/dbraw/zinc/53/36/56/570533656.db2.gz PEPHGBZENUBWMD-HSZRJFAPSA-N 0 0 392.543 4.404 40 0 GIABRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)n1C ZINC000224894387 570537007 /nfs/dbraw/zinc/53/70/07/570537007.db2.gz VEAMFGBDNNMAQV-UXHICEINSA-N 0 0 380.492 4.353 40 0 GIABRN O=C(Nc1nccs1)[C@H]1CC=CC[C@@H]1C(=O)OCC(Cl)=C(Cl)Cl ZINC000001085129 570537410 /nfs/dbraw/zinc/53/74/10/570537410.db2.gz FTZBWFSPMTXZTL-IUCAKERBSA-N 0 0 395.695 4.093 40 0 GIABRN CCOC(=O)C1=C(N)OC2=C(COC(C)=C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000001104376 570537415 /nfs/dbraw/zinc/53/74/15/570537415.db2.gz YNOCNLSQOCGWLZ-OAHLLOKOSA-N 0 0 382.243 4.029 40 0 GIABRN CCOc1ccc(-c2cnc(-c3ccccc3C(=O)NC[C@@H]3CCCO3)o2)cc1 ZINC000224916643 570537699 /nfs/dbraw/zinc/53/76/99/570537699.db2.gz UVPYBQKWLIMRNR-SFHVURJKSA-N 0 0 392.455 4.316 40 0 GIABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000225004666 570542660 /nfs/dbraw/zinc/54/26/60/570542660.db2.gz HHCACZHGORYGQO-QHCPKHFHSA-N 0 0 392.543 4.485 40 0 GIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cccc(C)c1C ZINC000225009938 570543043 /nfs/dbraw/zinc/54/30/43/570543043.db2.gz GQHYQOSEJKSJDN-QUCCMNQESA-N 0 0 396.531 4.014 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225012192 570543457 /nfs/dbraw/zinc/54/34/57/570543457.db2.gz PVAJGFKARZLULC-WOJBJXKFSA-N 0 0 380.532 4.178 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSc1ccccc1 ZINC000225013780 570543772 /nfs/dbraw/zinc/54/37/72/570543772.db2.gz CEHAJNSEIKTKOP-OALUTQOASA-N 0 0 398.572 4.419 40 0 GIABRN Cn1c(=O)sc2cc(NC(=O)CSCc3cccc(Cl)c3)ccc21 ZINC000225021424 570544214 /nfs/dbraw/zinc/54/42/14/570544214.db2.gz HJMWBWLIIRSABA-UHFFFAOYSA-N 0 0 378.906 4.125 40 0 GIABRN Cc1ccc(C(=O)NCCSC2CCCC2)c(I)c1 ZINC000225034375 570544563 /nfs/dbraw/zinc/54/45/63/570544563.db2.gz NOHPUMCRPGYQAM-UHFFFAOYSA-N 0 0 389.302 4.005 40 0 GIABRN COc1cccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1OC ZINC000225043766 570544998 /nfs/dbraw/zinc/54/49/98/570544998.db2.gz QPUGPQDORJBKLB-UHFFFAOYSA-N 0 0 382.460 4.019 40 0 GIABRN CCOc1ccc(C(=O)NCCCN2c3ccccc3C[C@@H]2C)cc1OCC ZINC000225066399 570546527 /nfs/dbraw/zinc/54/65/27/570546527.db2.gz RQMJCVMSODQCGC-KRWDZBQOSA-N 0 0 382.504 4.055 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1 ZINC000225089547 570547909 /nfs/dbraw/zinc/54/79/09/570547909.db2.gz OBDPSPIINPVLAP-PMACEKPBSA-N 0 0 396.531 4.014 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000225096852 570548336 /nfs/dbraw/zinc/54/83/36/570548336.db2.gz HAYSBOVFARMCJJ-JOCHJYFZSA-N 0 0 380.532 4.180 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000225096886 570548430 /nfs/dbraw/zinc/54/84/30/570548430.db2.gz HAYSBOVFARMCJJ-QFIPXVFZSA-N 0 0 380.532 4.180 40 0 GIABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc2c(c1)sc(=O)n2CC ZINC000225108755 570549486 /nfs/dbraw/zinc/54/94/86/570549486.db2.gz GAAYBRUUQPFYBL-KRWDZBQOSA-N 0 0 384.501 4.496 40 0 GIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C ZINC000225123618 570550805 /nfs/dbraw/zinc/55/08/05/570550805.db2.gz HSMJHVSRCREWRC-LEWJYISDSA-N 0 0 394.559 4.486 40 0 GIABRN CCOCCCNC(=O)CSc1nc(-c2ccc(C)cc2)nc2ccccc21 ZINC000035311597 570551215 /nfs/dbraw/zinc/55/12/15/570551215.db2.gz QQADKRKZXZOYJZ-UHFFFAOYSA-N 0 0 395.528 4.240 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 ZINC000225132115 570551376 /nfs/dbraw/zinc/55/13/76/570551376.db2.gz FJJUPMYHKXZMFY-NRFANRHFSA-N 0 0 384.495 4.010 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 ZINC000225135194 570551422 /nfs/dbraw/zinc/55/14/22/570551422.db2.gz SJNLXZFCBHKMKE-QFIPXVFZSA-N 0 0 380.532 4.261 40 0 GIABRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225154106 570552237 /nfs/dbraw/zinc/55/22/37/570552237.db2.gz XEPTVNGLRBSEKL-HSZRJFAPSA-N 0 0 394.559 4.488 40 0 GIABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C ZINC000225163123 570552559 /nfs/dbraw/zinc/55/25/59/570552559.db2.gz FXSMMLDSENEVHI-QFIPXVFZSA-N 0 0 380.532 4.180 40 0 GIABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 ZINC000225163310 570552750 /nfs/dbraw/zinc/55/27/50/570552750.db2.gz WYQXNMIAIVIFCR-ZDUSSCGKSA-N 0 0 386.473 4.059 40 0 GIABRN COc1ccc(Cl)cc1S(=O)(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000225184401 570554340 /nfs/dbraw/zinc/55/43/40/570554340.db2.gz DITPLIMQBKMJDG-UHFFFAOYSA-N 0 0 397.924 4.003 40 0 GIABRN Cc1cc(OC(=O)c2ccc(C=O)cc2)cc(OC(=O)c2ccc(C=O)cc2)c1 ZINC000035585908 570555381 /nfs/dbraw/zinc/55/53/81/570555381.db2.gz OHPHIRUQZCUIBK-UHFFFAOYSA-N 0 0 388.375 4.058 40 0 GIABRN O=C(Nc1cccc(Cl)c1Cl)C1CCN(C(=O)c2ccccc2)CC1 ZINC000036171693 570556971 /nfs/dbraw/zinc/55/69/71/570556971.db2.gz CAGIMTMKDXOUOL-UHFFFAOYSA-N 0 0 377.271 4.484 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 ZINC000225230347 570558149 /nfs/dbraw/zinc/55/81/49/570558149.db2.gz KVABHFWXPMYNII-RTBURBONSA-N 0 0 398.522 4.399 40 0 GIABRN COc1ccc2[nH]cc(CCNC(=O)Nc3ccccc3Br)c2c1 ZINC000009873954 570562276 /nfs/dbraw/zinc/56/22/76/570562276.db2.gz JSIISOQLPQIMND-UHFFFAOYSA-N 0 0 388.265 4.303 40 0 GIABRN COc1ccc(NC(=S)NCCSCc2ccccc2)c2cccnc12 ZINC000225292020 570562419 /nfs/dbraw/zinc/56/24/19/570562419.db2.gz JOHCCJDBYIXSMI-UHFFFAOYSA-N 0 0 383.542 4.463 40 0 GIABRN Cc1nccn1Cc1ccc(C(=O)N[C@@H](C)COc2ccc(C)c(C)c2)cc1 ZINC000225299378 570562727 /nfs/dbraw/zinc/56/27/27/570562727.db2.gz RPDRZBIYPKMXGD-SFHVURJKSA-N 0 0 377.488 4.054 40 0 GIABRN S=C(NCCSCc1cccc(Cl)c1)Nc1ccc2c(c1)OCCO2 ZINC000225299585 570563073 /nfs/dbraw/zinc/56/30/73/570563073.db2.gz PFJFOQYASXWFQC-UHFFFAOYSA-N 0 0 394.949 4.331 40 0 GIABRN O=C(CCc1ccc(Cl)cc1)NCc1nc(-c2ccccc2Cl)no1 ZINC000225311844 570563720 /nfs/dbraw/zinc/56/37/20/570563720.db2.gz OGKJYNMWCANPLJ-UHFFFAOYSA-N 0 0 376.243 4.292 40 0 GIABRN CC(C)OCCCNC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 ZINC000225340215 570565420 /nfs/dbraw/zinc/56/54/20/570565420.db2.gz JERZRSMSBVYRSO-UHFFFAOYSA-N 0 0 395.528 4.346 40 0 GIABRN CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C)cc1 ZINC000225349555 570566494 /nfs/dbraw/zinc/56/64/94/570566494.db2.gz POJQAWDORWZEQK-SFTDATJTSA-N 0 0 392.528 4.384 40 0 GIABRN COc1ccccc1[C@@H](C)NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000225353187 570566906 /nfs/dbraw/zinc/56/69/06/570566906.db2.gz NWCLQFXCNHQJMV-OAHLLOKOSA-N 0 0 377.506 4.175 40 0 GIABRN Cc1cc(NC(=S)NCCSC2CCCCC2)ccc1N1CCCC1=O ZINC000225359029 570567120 /nfs/dbraw/zinc/56/71/20/570567120.db2.gz ZJTDSALGXWRRNV-UHFFFAOYSA-N 0 0 391.606 4.474 40 0 GIABRN Cc1ccc(NC(=S)NCCSC2CCCCC2)cc1N1CCCC1=O ZINC000225359081 570567197 /nfs/dbraw/zinc/56/71/97/570567197.db2.gz BUACLKGPVGURKU-UHFFFAOYSA-N 0 0 391.606 4.474 40 0 GIABRN CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000225392110 570569354 /nfs/dbraw/zinc/56/93/54/570569354.db2.gz LRYLMFQLIQEGCV-UHFFFAOYSA-N 0 0 391.489 4.105 40 0 GIABRN CCOc1ccccc1CCCNC(=S)Nc1cc(C(=O)OC)ccc1C ZINC000225396343 570569403 /nfs/dbraw/zinc/56/94/03/570569403.db2.gz DLAFNDYBFFDRJM-UHFFFAOYSA-N 0 0 386.517 4.100 40 0 GIABRN COc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c1 ZINC000010335590 570569382 /nfs/dbraw/zinc/56/93/82/570569382.db2.gz SQPYESFRKOVKBQ-UHFFFAOYSA-N 0 0 396.468 4.057 40 0 GIABRN CCOc1ccc([C@H]2CCCN2C(=O)c2ccccc2Cn2cccn2)cc1 ZINC000036748786 570569729 /nfs/dbraw/zinc/56/97/29/570569729.db2.gz MNZWUDYXPXBHOB-JOCHJYFZSA-N 0 0 375.472 4.307 40 0 GIABRN CCc1nnc(NC(=O)CSc2nc3cc4c(cc3cc2C)CCC4)s1 ZINC000001339910 570570238 /nfs/dbraw/zinc/57/02/38/570570238.db2.gz XOPBFDAZAXVPES-UHFFFAOYSA-N 0 0 384.530 4.177 40 0 GIABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)C2CC2)cc1 ZINC000001341595 570571036 /nfs/dbraw/zinc/57/10/36/570571036.db2.gz BHDPDLXCVMKBPY-NRFANRHFSA-N 0 0 380.488 4.383 40 0 GIABRN Cc1ccc(-n2ncc3c2ncnc3SCC(=O)Nc2ccccc2C)cc1 ZINC000001346372 570572284 /nfs/dbraw/zinc/57/22/84/570572284.db2.gz UWJFBKWGYZDIEG-UHFFFAOYSA-N 0 0 389.484 4.163 40 0 GIABRN COCCNC(=O)c1ccc(Nc2ccc(Oc3ccccc3)cc2)c(N)c1 ZINC000225432459 570573716 /nfs/dbraw/zinc/57/37/16/570573716.db2.gz AXXBXCWOVQBMJJ-UHFFFAOYSA-N 0 0 377.444 4.181 40 0 GIABRN CCOc1ccc(CNC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 ZINC000225432159 570573722 /nfs/dbraw/zinc/57/37/22/570573722.db2.gz BQNQQHUQAFIXCZ-UHFFFAOYSA-N 0 0 383.517 4.007 40 0 GIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225444569 570574890 /nfs/dbraw/zinc/57/48/90/570574890.db2.gz JKJFWTBKHVRQOD-NHCUHLMSSA-N 0 0 394.559 4.220 40 0 GIABRN CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225444557 570574977 /nfs/dbraw/zinc/57/49/77/570574977.db2.gz GACHLUOOZQKUHB-QHCPKHFHSA-N 0 0 394.559 4.222 40 0 GIABRN CCCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1cccnc1 ZINC000001361239 570576097 /nfs/dbraw/zinc/57/60/97/570576097.db2.gz KHYCSGNYDPXRTR-UHFFFAOYSA-N 0 0 381.505 4.043 40 0 GIABRN COc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccccc4Cl)C3)n2)cc1 ZINC000001362719 570576875 /nfs/dbraw/zinc/57/68/75/570576875.db2.gz ZLYRWYISMYRYFG-HNNXBMFYSA-N 0 0 397.862 4.418 40 0 GIABRN COc1cccc(-c2noc(CN(C)C(=S)Nc3ccc(Cl)cc3)n2)c1 ZINC000225466309 570577210 /nfs/dbraw/zinc/57/72/10/570577210.db2.gz AJMBBHVYEZJGBB-UHFFFAOYSA-N 0 0 388.880 4.227 40 0 GIABRN CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccco2)n1CC ZINC000001364315 570578066 /nfs/dbraw/zinc/57/80/66/570578066.db2.gz LLGHYTYBGGBUIT-UHFFFAOYSA-N 0 0 384.505 4.414 40 0 GIABRN Cc1nccn1-c1ccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 ZINC000225480556 570578505 /nfs/dbraw/zinc/57/85/05/570578505.db2.gz FARDWQIWDTYSER-KRWDZBQOSA-N 0 0 389.499 4.143 40 0 GIABRN Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)cc1C ZINC000225489569 570579315 /nfs/dbraw/zinc/57/93/15/570579315.db2.gz VXOLMTHCQNUKAS-FQEVSTJZSA-N 0 0 380.532 4.096 40 0 GIABRN Cc1ccc(C)c(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225492228 570579755 /nfs/dbraw/zinc/57/97/55/570579755.db2.gz WVJTWSBKZSNADJ-FQEVSTJZSA-N 0 0 380.532 4.096 40 0 GIABRN C[C@@H](CCc1ccccc1)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000225492595 570579888 /nfs/dbraw/zinc/57/98/88/570579888.db2.gz UEUQYRZEFWWJAE-LSOGNMMWSA-N 0 0 388.467 4.188 40 0 GIABRN CC(=O)N(Cc1ccc(C)cc1)Cc1cc2cc3c(cc2nc1Cl)OCO3 ZINC000001367938 570580449 /nfs/dbraw/zinc/58/04/49/570580449.db2.gz MEZDWDLIGUCFGS-UHFFFAOYSA-N 0 0 382.847 4.474 40 0 GIABRN COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1C ZINC000038753672 570581856 /nfs/dbraw/zinc/58/18/56/570581856.db2.gz MYVXBOWRZASGLZ-JOCHJYFZSA-N 0 0 381.497 4.380 40 0 GIABRN Cc1ccc(CN(C(=O)CSc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225516486 570582777 /nfs/dbraw/zinc/58/27/77/570582777.db2.gz QWKCKJSTOAGUET-GOSISDBHSA-N 0 0 384.545 4.029 40 0 GIABRN Cc1nccn1Cc1ccc(C(=O)NCCSCc2ccc(C)cc2)cc1 ZINC000038837303 570587256 /nfs/dbraw/zinc/58/72/56/570587256.db2.gz JWHLDOKHBNWGPG-UHFFFAOYSA-N 0 0 379.529 4.211 40 0 GIABRN CCOCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1 ZINC000225567407 570588747 /nfs/dbraw/zinc/58/87/47/570588747.db2.gz FHEPEVBASJITPX-UHFFFAOYSA-N 0 0 383.488 4.097 40 0 GIABRN CC1(C)C[C@H](NC(=S)Nc2cccc(N3CCCC3=O)c2)c2ccccc2O1 ZINC000225579015 570590249 /nfs/dbraw/zinc/59/02/49/570590249.db2.gz DAICPGWKFVOXFC-SFHVURJKSA-N 0 0 395.528 4.402 40 0 GIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 ZINC000225584905 570591321 /nfs/dbraw/zinc/59/13/21/570591321.db2.gz AIFWCVUYYAFFIS-AVRDEDQJSA-N 0 0 398.522 4.399 40 0 GIABRN CCOc1c(C)cc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1C ZINC000225585120 570591442 /nfs/dbraw/zinc/59/14/42/570591442.db2.gz QGRGMFBWHUTJMV-UHFFFAOYSA-N 0 0 383.488 4.398 40 0 GIABRN Cc1ccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1 ZINC000225604771 570592756 /nfs/dbraw/zinc/59/27/56/570592756.db2.gz WVORQYROWCDIHR-STZFKDTASA-N 0 0 390.508 4.452 40 0 GIABRN Cc1ccc(OC[C@@H](C)NC(=O)Cc2cccc(Br)c2)cc1C ZINC000225623284 570595654 /nfs/dbraw/zinc/59/56/54/570595654.db2.gz QMNIKIWKHZFUQI-OAHLLOKOSA-N 0 0 376.294 4.192 40 0 GIABRN O=c1[nH]c(Nc2cccc(C(F)(F)F)c2)nc2nccc(-c3ccccn3)c21 ZINC000040373017 570598667 /nfs/dbraw/zinc/59/86/67/570598667.db2.gz YXTNXPSLSGROOK-UHFFFAOYSA-N 0 0 383.333 4.143 40 0 GIABRN COc1cc(C)c(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1C(C)C ZINC000225666221 570600229 /nfs/dbraw/zinc/60/02/29/570600229.db2.gz OWQLUTZGGUPMEV-UHFFFAOYSA-N 0 0 387.476 4.083 40 0 GIABRN Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c(C)c1 ZINC000225707811 570606952 /nfs/dbraw/zinc/60/69/52/570606952.db2.gz XJKRDUBLVAWHDI-UHFFFAOYSA-N 0 0 390.530 4.370 40 0 GIABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000225727022 570609836 /nfs/dbraw/zinc/60/98/36/570609836.db2.gz JNWRIHCYUUOHAJ-DFQHGPNGSA-N 0 0 380.513 4.132 40 0 GIABRN Cc1cccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)c1C ZINC000225727251 570609839 /nfs/dbraw/zinc/60/98/39/570609839.db2.gz VMNCAOCABRVNDJ-UHFFFAOYSA-N 0 0 385.261 4.020 40 0 GIABRN O=C(Cn1ccc(=O)c2cc(F)ccc21)Nc1cc(C(F)(F)F)ccc1Cl ZINC000225750576 570613174 /nfs/dbraw/zinc/61/31/74/570613174.db2.gz PLWWNYMTTIVILB-UHFFFAOYSA-N 0 0 398.743 4.452 40 0 GIABRN Cc1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101056664 570616478 /nfs/dbraw/zinc/61/64/78/570616478.db2.gz HMGLOWXPANVKNZ-VABKMULXSA-N 0 0 398.462 4.042 40 0 GIABRN CC[C@H](Oc1cccc(C)c1C)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000225786060 570617187 /nfs/dbraw/zinc/61/71/87/570617187.db2.gz YNZADLKLCVZSNJ-NRFANRHFSA-N 0 0 381.516 4.325 40 0 GIABRN CCOC(=O)c1cc(NC(=O)C(C)(C)Br)ccc1OCC(C)C ZINC000225786546 570617207 /nfs/dbraw/zinc/61/72/07/570617207.db2.gz JAMLJDKYXIGQKD-UHFFFAOYSA-N 0 0 386.286 4.010 40 0 GIABRN CCOC(=O)c1cc(NC(=S)N[C@H](C)COc2ccccc2)ccc1Cl ZINC000225783767 570617260 /nfs/dbraw/zinc/61/72/60/570617260.db2.gz HUDDQRLJNMYAGF-CYBMUJFWSA-N 0 0 392.908 4.271 40 0 GIABRN CC[C@H](C)Oc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C(=O)OC ZINC000225807556 570619688 /nfs/dbraw/zinc/61/96/88/570619688.db2.gz KZWIPDTVVDPCMH-LRAJWGHMSA-N 0 0 377.481 4.184 40 0 GIABRN CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000225808926 570619949 /nfs/dbraw/zinc/61/99/49/570619949.db2.gz JWAJYWNYEHDDTE-UHFFFAOYSA-N 0 0 399.834 4.138 40 0 GIABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1 ZINC000225812811 570620604 /nfs/dbraw/zinc/62/06/04/570620604.db2.gz IBDVCEPNEFSMNQ-UHFFFAOYSA-N 0 0 394.393 4.251 40 0 GIABRN CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 ZINC000225818563 570621499 /nfs/dbraw/zinc/62/14/99/570621499.db2.gz MQEPPGHKZQIWOT-YCRPNKLZSA-N 0 0 379.497 4.430 40 0 GIABRN COc1ccc(-c2noc(CNC(=S)Nc3ccc(C)c(Cl)c3)n2)cc1 ZINC000225823732 570622013 /nfs/dbraw/zinc/62/20/13/570622013.db2.gz FMDQOWYHJOQKOT-UHFFFAOYSA-N 0 0 388.880 4.194 40 0 GIABRN O=C(CCc1nc(-c2cccc3ccccc32)no1)N1CCc2ccccc2C1 ZINC000225829717 570623057 /nfs/dbraw/zinc/62/30/57/570623057.db2.gz GQPMRXSODNXBOB-UHFFFAOYSA-N 0 0 383.451 4.407 40 0 GIABRN CCCNC(=S)N(Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000004216037 570623464 /nfs/dbraw/zinc/62/34/64/570623464.db2.gz OILNZTAAUQJEQH-UHFFFAOYSA-N 0 0 379.529 4.123 40 0 GIABRN CCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OC)c2)CCCC1 ZINC000225849539 570626076 /nfs/dbraw/zinc/62/60/76/570626076.db2.gz QZCPXBXJMGFPPY-HNNXBMFYSA-N 0 0 377.481 4.328 40 0 GIABRN CCCOC1(C(=O)Nc2ccc(OC)c(C(=O)OCC)c2)CCCCCC1 ZINC000225852521 570626345 /nfs/dbraw/zinc/62/63/45/570626345.db2.gz MTPCBHMEQHLCSS-UHFFFAOYSA-N 0 0 377.481 4.330 40 0 GIABRN Cc1ccc(CN(CCCn2ccnc2)Cc2cnn(-c3ccc(F)cc3)c2)o1 ZINC000043277770 570626725 /nfs/dbraw/zinc/62/67/25/570626725.db2.gz RFPVGZLEGGICHS-UHFFFAOYSA-N 0 0 393.466 4.202 40 0 GIABRN CCOc1ccc(C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1Cl ZINC000225858935 570627421 /nfs/dbraw/zinc/62/74/21/570627421.db2.gz GUIXIZKJIZKDKJ-UHFFFAOYSA-N 0 0 385.851 4.369 40 0 GIABRN CCOC(=O)c1ccc(C)c(NC(=S)NC2(c3ccncc3)CCCC2)c1 ZINC000225864313 570628308 /nfs/dbraw/zinc/62/83/08/570628308.db2.gz IYOJONNKZNKVBE-UHFFFAOYSA-N 0 0 383.517 4.323 40 0 GIABRN CCOC(=O)c1ccc(NC(=S)NC2(c3ccncc3)CCCC2)c(C)c1 ZINC000225864832 570628542 /nfs/dbraw/zinc/62/85/42/570628542.db2.gz XWCXYQWGYWCIDK-UHFFFAOYSA-N 0 0 383.517 4.323 40 0 GIABRN Cc1cc(NC(=S)NC2(c3cccnc3)CCCC2)ccc1N1CCCC1=O ZINC000225869620 570629136 /nfs/dbraw/zinc/62/91/36/570629136.db2.gz NHCLOUSDQRGZJT-UHFFFAOYSA-N 0 0 394.544 4.273 40 0 GIABRN CCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c2cccnc12 ZINC000225874570 570629409 /nfs/dbraw/zinc/62/94/09/570629409.db2.gz PJJPURKCDNKJNA-UHFFFAOYSA-N 0 0 394.446 4.460 40 0 GIABRN CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccoc1C ZINC000004560634 570630343 /nfs/dbraw/zinc/63/03/43/570630343.db2.gz YDTCPXGBIXULDS-UHFFFAOYSA-N 0 0 376.869 4.251 40 0 GIABRN CCCOC1(C(=O)Nc2cnc(OCCOCC)c(C)c2)CCC(C)CC1 ZINC000225912577 570632703 /nfs/dbraw/zinc/63/27/03/570632703.db2.gz CMVKLVWRYPCXKU-UHFFFAOYSA-N 0 0 378.513 4.119 40 0 GIABRN COc1ccc(CN(C)C(=O)c2ccccc2Nc2nc(C)cc(C)n2)cc1 ZINC000225915889 570633030 /nfs/dbraw/zinc/63/30/30/570633030.db2.gz PJHPEQFUWRRRFT-UHFFFAOYSA-N 0 0 376.460 4.118 40 0 GIABRN Cc1ccc(CNC(=S)Nc2nc(Cl)cc(N3C[C@@H](C)C[C@H](C)C3)n2)o1 ZINC000225916799 570633135 /nfs/dbraw/zinc/63/31/35/570633135.db2.gz LFSPZPHKFYQWFE-RYUDHWBXSA-N 0 0 393.944 4.000 40 0 GIABRN Cc1ccc(C2(C(=O)Nc3ccc(OC4CSC4)cc3)CCOCC2)cc1 ZINC000225932963 570634150 /nfs/dbraw/zinc/63/41/50/570634150.db2.gz OOYDNZMYBFWSOS-UHFFFAOYSA-N 0 0 383.513 4.176 40 0 GIABRN CCc1nc2sc3c(c2c2nnc(SCc4cccnc4)n21)CCCC3 ZINC000004848083 570634431 /nfs/dbraw/zinc/63/44/31/570634431.db2.gz HYXORNLRMVUEKW-UHFFFAOYSA-N 0 0 381.530 4.468 40 0 GIABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000044840413 570634563 /nfs/dbraw/zinc/63/45/63/570634563.db2.gz NZKGVOXXSRRECN-HSZRJFAPSA-N 0 0 380.532 4.426 40 0 GIABRN CCN(CC(=O)Nc1cccc2ccccc21)S(=O)(=O)c1cc(C)ccc1C ZINC000225933279 570634584 /nfs/dbraw/zinc/63/45/84/570634584.db2.gz ICZGHLMNIJWCJF-UHFFFAOYSA-N 0 0 396.512 4.106 40 0 GIABRN CCc1cc2ccccc2nc1SCC(=O)Nc1cccc(NC(C)=O)c1 ZINC000004849251 570635449 /nfs/dbraw/zinc/63/54/49/570635449.db2.gz IODQVQPNNNDFID-UHFFFAOYSA-N 0 0 379.485 4.486 40 0 GIABRN CCCCc1ccc(NC(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)cc1 ZINC000225974512 570637376 /nfs/dbraw/zinc/63/73/76/570637376.db2.gz YPTBWFYTFUHVPN-UHFFFAOYSA-N 0 0 394.924 4.331 40 0 GIABRN Cc1ccc([C@H](OC(=O)c2cccs2)C(=O)NCCc2ccccc2)cc1 ZINC000004901481 570637410 /nfs/dbraw/zinc/63/74/10/570637410.db2.gz BCYMLMSHUVVVRF-FQEVSTJZSA-N 0 0 379.481 4.314 40 0 GIABRN O=C(NCCc1ccccc1)[C@H](OC(=O)c1ccco1)c1ccc(Cl)cc1 ZINC000004900778 570637494 /nfs/dbraw/zinc/63/74/94/570637494.db2.gz RKQTXAMJFNZKNU-LJQANCHMSA-N 0 0 383.831 4.190 40 0 GIABRN CCCCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccco1 ZINC000004856029 570638451 /nfs/dbraw/zinc/63/84/51/570638451.db2.gz OBLIEAFJFZIDEO-UHFFFAOYSA-N 0 0 399.520 4.135 40 0 GIABRN S=C(Nc1nc(Oc2ccccc2)cc(N2CCCC2)n1)NC1CCCCC1 ZINC000226007817 570638593 /nfs/dbraw/zinc/63/85/93/570638593.db2.gz BEPZFYKHEAGBKO-UHFFFAOYSA-N 0 0 397.548 4.488 40 0 GIABRN CCOC(=O)c1ccc(Nc2ccc(-c3ccc(OC)c(OC)c3)nn2)cc1 ZINC000004859062 570639674 /nfs/dbraw/zinc/63/96/74/570639674.db2.gz OVBQZDNXDQONNT-UHFFFAOYSA-N 0 0 379.416 4.081 40 0 GIABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000044899893 570639955 /nfs/dbraw/zinc/63/99/55/570639955.db2.gz PFIUKXSEUGFIQY-HXUWFJFHSA-N 0 0 382.504 4.485 40 0 GIABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(N3CCOCC3)cc2)cc1 ZINC000044900794 570640305 /nfs/dbraw/zinc/64/03/05/570640305.db2.gz DLFJHJSBULRBPI-QFIPXVFZSA-N 0 0 382.504 4.049 40 0 GIABRN CC(=O)Nc1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000044900685 570640432 /nfs/dbraw/zinc/64/04/32/570640432.db2.gz UTBFBPCPYISGTO-UHFFFAOYSA-N 0 0 385.467 4.460 40 0 GIABRN COc1ccc(/C=C/C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)cc1 ZINC000226092415 570641247 /nfs/dbraw/zinc/64/12/47/570641247.db2.gz YJMFNIIJJYEEHE-MDWZMJQESA-N 0 0 377.444 4.444 40 0 GIABRN CCC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000044904167 570641288 /nfs/dbraw/zinc/64/12/88/570641288.db2.gz NZLMRDJOELDMIZ-CYBMUJFWSA-N 0 0 380.897 4.059 40 0 GIABRN Cc1ccccc1NC(=O)N1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2 ZINC000004888157 570642778 /nfs/dbraw/zinc/64/27/78/570642778.db2.gz IAIQCCASIVSDII-IHWFROFDSA-N 0 0 377.488 4.342 40 0 GIABRN Cc1nccn1Cc1ccc(C(=O)NCCCc2ccc(OC(C)C)cc2)cc1 ZINC000044916567 570642898 /nfs/dbraw/zinc/64/28/98/570642898.db2.gz KXIIHJPGJWRZAO-UHFFFAOYSA-N 0 0 391.515 4.390 40 0 GIABRN CCCCN(C(=O)C(F)(F)F)[C@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000004889933 570643860 /nfs/dbraw/zinc/64/38/60/570643860.db2.gz YVRTUICZPRYFSW-HNNXBMFYSA-N 0 0 390.471 4.429 40 0 GIABRN COc1cc([C@H]2NC(=O)c3ccccc3O2)ccc1OCc1ccc(F)cc1 ZINC000004997908 570650523 /nfs/dbraw/zinc/65/05/23/570650523.db2.gz LFTCWBOJTWCYTL-QFIPXVFZSA-N 0 0 379.387 4.234 40 0 GIABRN O=C(NC[C@@H]1COc2ccccc2O1)c1ncoc1-c1ccc2ccccc2c1 ZINC000005002092 570652354 /nfs/dbraw/zinc/65/23/54/570652354.db2.gz DMWJGSADYGQWDI-GOSISDBHSA-N 0 0 386.407 4.065 40 0 GIABRN O=C(CCc1nc(-c2cccnc2)no1)Nc1ccc(Oc2ccccc2)cc1 ZINC000046878217 570652853 /nfs/dbraw/zinc/65/28/53/570652853.db2.gz JGNFGRDJIVRBDY-UHFFFAOYSA-N 0 0 386.411 4.495 40 0 GIABRN Cc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c1C ZINC000047156168 570653091 /nfs/dbraw/zinc/65/30/91/570653091.db2.gz ICOQZJYDIODYIX-UHFFFAOYSA-N 0 0 380.469 4.357 40 0 GIABRN Cc1cc2c(cc(C(=O)O[C@H](C(=O)NC3CCCC3)c3ccccc3F)n2C)o1 ZINC000004967234 570654301 /nfs/dbraw/zinc/65/43/01/570654301.db2.gz HALCCFKKPVJCLR-FQEVSTJZSA-N 0 0 398.434 4.176 40 0 GIABRN Cc1cccc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccccc2C)c1 ZINC000059502334 570659468 /nfs/dbraw/zinc/65/94/68/570659468.db2.gz MXHCBOMYMIUPOM-UHFFFAOYSA-N 0 0 384.435 4.204 40 0 GIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NC(=O)[C@H](C)Cn2nc(C)cc2C)cc1 ZINC000060016598 570660457 /nfs/dbraw/zinc/66/04/57/570660457.db2.gz UBRIEDXZEDMPKT-LNMYJNIUSA-N 0 0 395.547 4.233 40 0 GIABRN C[C@H]1[C@H](NC(=O)COC(=O)c2ccccc2Cc2ccccc2)CCC[C@@H]1C ZINC000006049466 570667988 /nfs/dbraw/zinc/66/79/88/570667988.db2.gz UDCVNMWZMLUMEY-NJNPRVFISA-N 0 0 379.500 4.375 40 0 GIABRN Cc1ccccc1NC(=O)c1cc(S(=O)(=O)NC2CCCCCC2)cs1 ZINC000006681771 570671957 /nfs/dbraw/zinc/67/19/57/570671957.db2.gz HDGJTXLRICWSPU-UHFFFAOYSA-N 0 0 392.546 4.310 40 0 GIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@@H]3c2cccc(F)c2)cc1 ZINC000006679281 570673461 /nfs/dbraw/zinc/67/34/61/570673461.db2.gz ZVFKMGMRZHQTPN-BFUOFWGJSA-N 0 0 397.475 4.492 40 0 GIABRN Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccc(O)cc1)S[C@H](C)C(=O)N2 ZINC000006679201 570673646 /nfs/dbraw/zinc/67/36/46/570673646.db2.gz FGLBQFVSYJRSIR-XIKOKIGWSA-N 0 0 383.448 4.189 40 0 GIABRN CCCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC[C@H]2C)n1 ZINC000260737709 570700786 /nfs/dbraw/zinc/70/07/86/570700786.db2.gz NKAUNRLWTGATGM-OAHLLOKOSA-N 0 0 385.537 4.344 40 0 GIABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3Cc3cccnc3)N21 ZINC000260772053 570704859 /nfs/dbraw/zinc/70/48/59/570704859.db2.gz MGGQBKSGUYMUQF-QMMLZNLJSA-N 0 0 389.528 4.306 40 0 GIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1C[C@H]1CCCO1 ZINC000260922573 570714454 /nfs/dbraw/zinc/71/44/54/570714454.db2.gz QBWXCYYFNXVURZ-HMXCVIKNSA-N 0 0 396.560 4.150 40 0 GIABRN Cc1ccc([C@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102732221 570720712 /nfs/dbraw/zinc/72/07/12/570720712.db2.gz AWFRYIXNFIETFH-XPWALMASSA-N 0 0 398.462 4.355 40 0 GIABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(I)cc1 ZINC000003560132 570725005 /nfs/dbraw/zinc/72/50/05/570725005.db2.gz SULJMAKPHPIKKB-UHFFFAOYSA-N 0 0 387.604 4.206 40 0 GIABRN Cc1ccc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C ZINC000005200180 570731596 /nfs/dbraw/zinc/73/15/96/570731596.db2.gz SRSNAGHMPQBMDL-UHFFFAOYSA-N 0 0 392.421 4.050 40 0 GIABRN COc1ccc(Br)cc1C(=O)Nc1cccc(Br)c1 ZINC000005880258 570735299 /nfs/dbraw/zinc/73/52/99/570735299.db2.gz GHPQJUXKPJCMPV-UHFFFAOYSA-N 0 0 385.055 4.473 40 0 GIABRN COc1ccccc1N1CCN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1 ZINC000005903401 570736341 /nfs/dbraw/zinc/73/63/41/570736341.db2.gz XXSSUVYSASZKQK-SDNWHVSQSA-N 0 0 378.516 4.355 40 0 GIABRN CCC(=O)NC(=S)Nc1cc(-c2nc3cc(C)c(C)cc3o2)ccc1OC ZINC000005945927 570736641 /nfs/dbraw/zinc/73/66/41/570736641.db2.gz HRBFUMXKBOIQEV-UHFFFAOYSA-N 0 0 383.473 4.343 40 0 GIABRN CCOc1ccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)cc1Cl ZINC000006207820 570738929 /nfs/dbraw/zinc/73/89/29/570738929.db2.gz HLQHDSHLVPECMQ-UHFFFAOYSA-N 0 0 399.863 4.157 40 0 GIABRN CCCOc1ccc(N2C[C@H](C(=O)Nc3c(C)cccc3CC)CC2=O)cc1 ZINC000006880928 570752729 /nfs/dbraw/zinc/75/27/29/570752729.db2.gz WEARYXBQSMXTGS-GOSISDBHSA-N 0 0 380.488 4.338 40 0 GIABRN CC[C@@](Br)(C(=O)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC ZINC000096518706 570754756 /nfs/dbraw/zinc/75/47/56/570754756.db2.gz UFHOKHDRFQFUNG-SFHVURJKSA-N 0 0 395.318 4.472 40 0 GIABRN COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2cc(Cl)ccc2C)CC1=O ZINC000007406798 570758589 /nfs/dbraw/zinc/75/85/89/570758589.db2.gz XOEPHONOAZJYAO-GFCCVEGCSA-N 0 0 393.270 4.302 40 0 GIABRN O=C(/C=C/c1ccccc1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000007388374 570758715 /nfs/dbraw/zinc/75/87/15/570758715.db2.gz HJVCZWGICMNZHK-VOTSOKGWSA-N 0 0 398.787 4.258 40 0 GIABRN c1ccc(CN2CN(Cc3ccc4c(c3)OCO4)Cn3c4ccccc4nc32)cc1 ZINC000007499246 570759939 /nfs/dbraw/zinc/75/99/39/570759939.db2.gz GOKMBFYUKPCIHM-UHFFFAOYSA-N 0 0 398.466 4.202 40 0 GIABRN CCOC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccc(C(=O)[O-])cc3)o2)cc1 ZINC000007520268 570760042 /nfs/dbraw/zinc/76/00/42/570760042.db2.gz BYOAQXUBVCJQQM-UHFFFAOYSA-N 0 0 379.412 4.111 40 0 GIABRN COc1cc(CNn2c(C)n[nH]c2=S)ccc1OCc1cccc(Cl)c1 ZINC000007601241 570760800 /nfs/dbraw/zinc/76/08/00/570760800.db2.gz HFGVWOBEDVWTPL-UHFFFAOYSA-N 0 0 390.896 4.234 40 0 GIABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000166024359 570760956 /nfs/dbraw/zinc/76/09/56/570760956.db2.gz BSVAZRSCDNGMCN-HSZRJFAPSA-N 0 0 394.559 4.486 40 0 GIABRN CCOc1cc(CNn2cnnc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000007602405 570761071 /nfs/dbraw/zinc/76/10/71/570761071.db2.gz FEONRMMZPUWCTM-UHFFFAOYSA-N 0 0 393.274 4.306 40 0 GIABRN COc1ncccc1C(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257210777 570761116 /nfs/dbraw/zinc/76/11/16/570761116.db2.gz BWDRJWQIPFWHLK-SFHVURJKSA-N 0 0 397.862 4.300 40 0 GIABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(F)(F)F)CC2=O)c(C)c1 ZINC000007928067 570763218 /nfs/dbraw/zinc/76/32/18/570763218.db2.gz JCCFGGLGWZQPRG-CQSZACIVSA-N 0 0 376.378 4.314 40 0 GIABRN CC(C)c1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)n(C)n1 ZINC000257224738 570763538 /nfs/dbraw/zinc/76/35/38/570763538.db2.gz FDCTZOVRPIACIM-FQEVSTJZSA-N 0 0 392.503 4.490 40 0 GIABRN CCOc1ccc(C(=O)Nc2cccc(-c3nn4c(CC)nnc4s3)c2)cc1 ZINC000008071528 570764496 /nfs/dbraw/zinc/76/44/96/570764496.db2.gz BOSILFUIXRUICW-UHFFFAOYSA-N 0 0 393.472 4.066 40 0 GIABRN CCN(C(=O)CSc1nnc(Cc2ccccc2)n1CC)c1ccccc1 ZINC000008090011 570764895 /nfs/dbraw/zinc/76/48/95/570764895.db2.gz VPWLADYWPSQAGM-UHFFFAOYSA-N 0 0 380.517 4.034 40 0 GIABRN C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)c(C(=O)NCc3ccccn3)ccc1OC2(C)C ZINC000257233328 570766141 /nfs/dbraw/zinc/76/61/41/570766141.db2.gz GOUCPJOLEYEMMQ-ZTFGCOKTSA-N 0 0 380.488 4.408 40 0 GIABRN Cn1cncc1-c1cc([C@@H]2CCCN2C(=O)c2ccc3ccccc3n2)ccn1 ZINC000257235254 570766602 /nfs/dbraw/zinc/76/66/02/570766602.db2.gz GXBLANVFKCKNBW-NRFANRHFSA-N 0 0 383.455 4.008 40 0 GIABRN CCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013649829 570766934 /nfs/dbraw/zinc/76/69/34/570766934.db2.gz SWSLKGDBRQHHKA-OAHLLOKOSA-N 0 0 388.533 4.237 40 0 GIABRN CC(C)C(=O)N1CCO[C@@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 ZINC000257243022 570768975 /nfs/dbraw/zinc/76/89/75/570768975.db2.gz IFFAFOQGKZVDEH-LJQANCHMSA-N 0 0 392.421 4.247 40 0 GIABRN Cc1cccc(C)c1NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000008479284 570769206 /nfs/dbraw/zinc/76/92/06/570769206.db2.gz RVRKWLPJVFHCGD-UHFFFAOYSA-N 0 0 394.924 4.142 40 0 GIABRN Cc1ccc(N(CCCC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 ZINC000008492777 570769210 /nfs/dbraw/zinc/76/92/10/570769210.db2.gz GRSSMKPGHGGMLI-UHFFFAOYSA-N 0 0 388.533 4.303 40 0 GIABRN CNc1ccc(-c2cc(=O)c3cc(I)ccc3o2)cc1 ZINC000013675690 570771688 /nfs/dbraw/zinc/77/16/88/570771688.db2.gz QIZWRTNISFPGTO-UHFFFAOYSA-N 0 0 377.181 4.106 40 0 in-vivo GIABRN CCc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)CC(c1ccc(OC)c(OC)c1)=N2 ZINC000008570207 570771718 /nfs/dbraw/zinc/77/17/18/570771718.db2.gz LAXWNPBYIKXYMI-KRWDZBQOSA-N 0 0 398.413 4.192 40 0 GIABRN Cc1cc(Nc2ncccc2C)cc([C@H]2CN(C(=O)C3CCCCC3)CCO2)n1 ZINC000257265112 570772372 /nfs/dbraw/zinc/77/23/72/570772372.db2.gz LXJLSOLCIJAZHT-OAQYLSRUSA-N 0 0 394.519 4.317 40 0 GIABRN CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4)OCC[C@]3(C2)[C@H]1NC(=O)c1cncc(O)c1 ZINC000257264475 570772511 /nfs/dbraw/zinc/77/25/11/570772511.db2.gz LUNODYKGKJDQBG-RWBIRNLKSA-N 0 0 392.499 4.100 40 0 GIABRN CCN(c1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1)S(C)(=O)=O ZINC000013680392 570772906 /nfs/dbraw/zinc/77/29/06/570772906.db2.gz XCKFLYRLXUZTCA-UHFFFAOYSA-N 0 0 387.288 4.032 40 0 GIABRN CCN(c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1)S(C)(=O)=O ZINC000013680236 570773085 /nfs/dbraw/zinc/77/30/85/570773085.db2.gz URZJQMLJOFFMAX-UHFFFAOYSA-N 0 0 387.288 4.032 40 0 GIABRN Cc1ccc([C@H]2N(c3ccccc3)C(=O)C[C@@H]3C(=O)Oc4ccccc4N32)cc1 ZINC000009264838 570774414 /nfs/dbraw/zinc/77/44/14/570774414.db2.gz BDFTVPOSNKHBRD-OFNKIYASSA-N 0 0 384.435 4.225 40 0 GIABRN CCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(C(=O)OC)cc4)OCC[C@]13C2 ZINC000257278309 570774536 /nfs/dbraw/zinc/77/45/36/570774536.db2.gz OBSNOFDFCALWPK-QYHHQVRGSA-N 0 0 399.531 4.272 40 0 GIABRN CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4)OCC[C@]3(C2)[C@H]1NC(=O)C1CCOCC1 ZINC000257281804 570775595 /nfs/dbraw/zinc/77/55/95/570775595.db2.gz ORBPVJODALVKKK-LMEXZFPPSA-N 0 0 383.532 4.112 40 0 GIABRN COc1cccc(CC(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)c1 ZINC000257288604 570776539 /nfs/dbraw/zinc/77/65/39/570776539.db2.gz PUWTWLXAKSEKNK-HXUWFJFHSA-N 0 0 390.483 4.223 40 0 GIABRN CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000009979850 570777070 /nfs/dbraw/zinc/77/70/70/570777070.db2.gz MLBQAWQYCMKEAU-UHFFFAOYSA-N 0 0 378.516 4.153 40 0 GIABRN Cc1noc(C)c1-c1ccc([C@@H]2CCCN2S(=O)(=O)Cc2ccccc2)nc1 ZINC000257296484 570777409 /nfs/dbraw/zinc/77/74/09/570777409.db2.gz RDBOFHXIXUEKGZ-FQEVSTJZSA-N 0 0 397.500 4.020 40 0 GIABRN O=C(c1cncnc1)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257304342 570778601 /nfs/dbraw/zinc/77/86/01/570778601.db2.gz SLEFKFCWKRUQAV-SFHVURJKSA-N 0 0 382.851 4.076 40 0 GIABRN CNc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3ccccc3C(=O)[O-])o2)n1 ZINC000257303370 570778611 /nfs/dbraw/zinc/77/86/11/570778611.db2.gz SGXIAFGQEFMELI-IBGZPJMESA-N 0 0 377.444 4.419 40 0 GIABRN O=C(c1cccc(=O)[nH]1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257311357 570779754 /nfs/dbraw/zinc/77/97/54/570779754.db2.gz UJBGSOJVBUJBNB-GOSISDBHSA-N 0 0 397.862 4.387 40 0 GIABRN Cc1noc(C)c1-c1nccc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1 ZINC000257318739 570780912 /nfs/dbraw/zinc/78/09/12/570780912.db2.gz VPEKCYHBOQYEJB-IBGZPJMESA-N 0 0 376.460 4.045 40 0 GIABRN CCn1cc(CN2CCO[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)cn1 ZINC000257331702 570782943 /nfs/dbraw/zinc/78/29/43/570782943.db2.gz XTXFDTXRPRHMFY-QFIPXVFZSA-N 0 0 396.922 4.116 40 0 GIABRN CCC(=O)N1CCO[C@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 ZINC000257335652 570783493 /nfs/dbraw/zinc/78/34/93/570783493.db2.gz YLEXBHBVHVLXCC-SFHVURJKSA-N 0 0 378.394 4.001 40 0 GIABRN CC(C)(C)CC(=O)N1CCC(Cc2cccc(-c3ccccc3)c2)(C(N)=O)CC1 ZINC000257336007 570783569 /nfs/dbraw/zinc/78/35/69/570783569.db2.gz YMTDSZRMDGCLIB-UHFFFAOYSA-N 0 0 392.543 4.426 40 0 GIABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010333370 570788276 /nfs/dbraw/zinc/78/82/76/570788276.db2.gz NICMHMPKJFSBCD-SFHVURJKSA-N 0 0 393.531 4.453 40 0 GIABRN Cc1cccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1C ZINC000010338688 570788796 /nfs/dbraw/zinc/78/87/96/570788796.db2.gz WTFNCTZPUJJLHZ-HNNXBMFYSA-N 0 0 394.924 4.058 40 0 GIABRN COc1ccc([C@@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccccc2F)cc1 ZINC000011116585 570794342 /nfs/dbraw/zinc/79/43/42/570794342.db2.gz RHLPGRBMYLZJCC-PMACEKPBSA-N 0 0 397.475 4.342 40 0 GIABRN COc1ccc(NC(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)c3C)C2)cc1 ZINC000012471712 570807259 /nfs/dbraw/zinc/80/72/59/570807259.db2.gz PBQQNLXRDFRXTK-QGZVFWFLSA-N 0 0 381.476 4.195 40 0 GIABRN O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc(Br)o1 ZINC000013928513 570867769 /nfs/dbraw/zinc/86/77/69/570867769.db2.gz UEQVWJFMFBXEFG-XFFZJAGNSA-N 0 0 397.022 4.149 40 0 GIABRN Cc1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3C)n2C)cc1 ZINC000014126255 570876893 /nfs/dbraw/zinc/87/68/93/570876893.db2.gz CNUAFUFVPYOWPA-UHFFFAOYSA-N 0 0 396.516 4.050 40 0 GIABRN Cc1c(C)n(C(=O)CSCC(=O)N2CCc3ccccc32)c2ccccc12 ZINC000014608342 570894057 /nfs/dbraw/zinc/89/40/57/570894057.db2.gz PYWQKFQYOHHKMJ-UHFFFAOYSA-N 0 0 378.497 4.221 40 0 GIABRN Cc1ccc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccc(C)nc4)o3)CC2)cc1 ZINC000257247369 570894228 /nfs/dbraw/zinc/89/42/28/570894228.db2.gz IYRXRQYIECFDOU-UAPYVXQJSA-N 0 0 390.487 4.452 40 0 GIABRN CCOc1ccc(Br)cc1C(=O)Nc1cc(OC)ccc1OC ZINC000014654502 570894410 /nfs/dbraw/zinc/89/44/10/570894410.db2.gz YLIAJTSOBBIGHC-UHFFFAOYSA-N 0 0 380.238 4.117 40 0 GIABRN CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 ZINC000014831681 570899208 /nfs/dbraw/zinc/89/92/08/570899208.db2.gz KVXDQVPDIAAYOJ-UHFFFAOYSA-N 0 0 375.881 4.061 40 0 GIABRN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3C(=O)C[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257348717 570910325 /nfs/dbraw/zinc/91/03/25/570910325.db2.gz ICLVBZVECAGRBZ-KXHBOHSMSA-N 0 0 390.520 4.072 40 0 GIABRN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3C(=O)C[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000257348716 570910512 /nfs/dbraw/zinc/91/05/12/570910512.db2.gz ICLVBZVECAGRBZ-FXNHEEFASA-N 0 0 390.520 4.072 40 0 GIABRN Cc1ccc(C(=O)N2CCC[C@]3(CCN3c3ccc4nccnc4c3)C2)c(C)c1 ZINC000585102134 570928212 /nfs/dbraw/zinc/92/82/12/570928212.db2.gz SZJBWBMCNDJMHK-DEOSSOPVSA-N 0 0 386.499 4.132 40 0 GIABRN O=C(c1cccc(O)c1)N1CC2(CCOCC2)c2cc(-c3cccnc3)ccc21 ZINC000585105799 570932558 /nfs/dbraw/zinc/93/25/58/570932558.db2.gz OMDDZXVDDORKQZ-UHFFFAOYSA-N 0 0 386.451 4.163 40 0 GIABRN c1csc(CN2CCO[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)c1 ZINC000306124474 570936436 /nfs/dbraw/zinc/93/64/36/570936436.db2.gz BQSJUQMOACXVRR-FQEVSTJZSA-N 0 0 376.485 4.031 40 0 GIABRN CC(C)Cn1cnc2c1C1(CCN(C(=O)c3ccco3)CC1)Oc1ccccc1-2 ZINC000306133430 570941065 /nfs/dbraw/zinc/94/10/65/570941065.db2.gz MLCJTRRAGBICSB-UHFFFAOYSA-N 0 0 391.471 4.323 40 0 GIABRN Nc1nn(CC(=O)c2ccc(Cl)cc2)c(=S)n1Nc1ccc(Cl)cc1 ZINC000036625723 570944026 /nfs/dbraw/zinc/94/40/26/570944026.db2.gz IEYCJRBBRXZBHN-UHFFFAOYSA-N 0 0 394.287 4.061 40 0 GIABRN COC(=O)c1ccc2nc(NC(=O)COc3ccc(C(C)C)cc3)sc2c1 ZINC000020412400 570946264 /nfs/dbraw/zinc/94/62/64/570946264.db2.gz PJENSSJCRLNTGI-UHFFFAOYSA-N 0 0 384.457 4.224 40 0 GIABRN C[C@H]1C[C@H](NC(=O)[C@]2(C)CC2(Br)Br)CC(C)(C)C1 ZINC000002770686 570950447 /nfs/dbraw/zinc/95/04/47/570950447.db2.gz WSBIMAVZWQQWPS-KWBADKCTSA-N 0 0 381.152 4.214 40 0 GIABRN Cc1cc(-c2cnc(C)nc2[C@H]2CCCCN2C(=O)Cc2ccccc2F)on1 ZINC000019121882 570957542 /nfs/dbraw/zinc/95/75/42/570957542.db2.gz SWBYWKWGNDQGIX-LJQANCHMSA-N 0 0 394.450 4.184 40 0 GIABRN Cc1noc(-c2cn[nH]c2[C@@H]2CCCCN2C(=O)Cc2ccc(C)cc2)c1C ZINC000019209630 570959918 /nfs/dbraw/zinc/95/99/18/570959918.db2.gz SXGVJSSJUBYWPQ-IBGZPJMESA-N 0 0 378.476 4.286 40 0 GIABRN Cc1noc(-c2cnn(C)c2[C@@H]2CCCCN2C(=O)Cc2ccc(C)cc2)c1C ZINC000019209711 570960033 /nfs/dbraw/zinc/96/00/33/570960033.db2.gz NSNAJVBLSMBULY-FQEVSTJZSA-N 0 0 392.503 4.297 40 0 GIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nnc(-c3cccs3)o2)cc1 ZINC000019211507 570960919 /nfs/dbraw/zinc/96/09/19/570960919.db2.gz XHHCSAYOPIHQOM-OAHLLOKOSA-N 0 0 389.502 4.022 40 0 GIABRN Cc1cccc(O[C@@H](C)c2nnc(NC(=O)CCc3ccncc3)s2)c1C ZINC000019235689 570965811 /nfs/dbraw/zinc/96/58/11/570965811.db2.gz UGCFROUBXZRFKG-HNNXBMFYSA-N 0 0 382.489 4.261 40 0 GIABRN Cc1cccc(-c2ccccc2C[C@]2(C(N)=O)CCN(C(=O)c3ccccc3)C2)c1 ZINC000019235499 570966082 /nfs/dbraw/zinc/96/60/82/570966082.db2.gz LKMKVVSBZUQVJE-AREMUKBSSA-N 0 0 398.506 4.222 40 0 GIABRN Cc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2cc(C(C)C)no2)n1 ZINC000019286796 570970109 /nfs/dbraw/zinc/97/01/09/570970109.db2.gz GTFGDWWGXKNIFI-LJQANCHMSA-N 0 0 391.475 4.326 40 0 GIABRN Nc1cccc(Cl)c1N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000072230250 570971189 /nfs/dbraw/zinc/97/11/89/570971189.db2.gz LLQYUYDKAXWJPP-UHFFFAOYSA-N 0 0 384.694 4.191 40 0 GIABRN COc1cccc(CNc2ncc(-c3ccccc3F)c(-c3nccn3C)n2)c1 ZINC000019291713 570972319 /nfs/dbraw/zinc/97/23/19/570972319.db2.gz QDTVRVOBSSOKBJ-UHFFFAOYSA-N 0 0 389.434 4.304 40 0 GIABRN Clc1cccc(Cl)c1CN1CCC[C@@H](c2noc(-c3cnccn3)n2)C1 ZINC000019292581 570972564 /nfs/dbraw/zinc/97/25/64/570972564.db2.gz AWKXQEQPJKWXTH-GFCCVEGCSA-N 0 0 390.274 4.213 40 0 GIABRN O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 ZINC000019346089 570978122 /nfs/dbraw/zinc/97/81/22/570978122.db2.gz QEUWBPIIPOAKFP-LBPRGKRZSA-N 0 0 396.447 4.438 40 0 GIABRN OCc1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000236503782 570978690 /nfs/dbraw/zinc/97/86/90/570978690.db2.gz FWBVUSONUPISNK-UHFFFAOYSA-N 0 0 390.046 4.422 40 0 GIABRN C[C@H](OC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)c1ccccc1 ZINC000239412561 570981717 /nfs/dbraw/zinc/98/17/17/570981717.db2.gz SVVQWTYCSSDGFR-CWFSZBLJSA-N 0 0 377.440 4.284 40 0 GIABRN CCN(CCCNC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1ccccc1 ZINC000057413605 570983299 /nfs/dbraw/zinc/98/32/99/570983299.db2.gz HJLCZESTYAIEOZ-UHFFFAOYSA-N 0 0 382.895 4.377 40 0 GIABRN CC(C)CC(=O)N1CCC[C@@](Cc2cccc(-c3cccs3)c2)(C(N)=O)C1 ZINC000019446323 570983800 /nfs/dbraw/zinc/98/38/00/570983800.db2.gz BIEZUCJXFXHFAD-QFIPXVFZSA-N 0 0 384.545 4.098 40 0 GIABRN CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)C2CC2)C1 ZINC000019449021 570984918 /nfs/dbraw/zinc/98/49/18/570984918.db2.gz WJXFWGBLJVQPHW-QHCPKHFHSA-N 0 0 396.556 4.111 40 0 GIABRN CC(C)COC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000000937535 570986240 /nfs/dbraw/zinc/98/62/40/570986240.db2.gz ZJMXZSQTEOWZQK-UHFFFAOYSA-N 0 0 383.469 4.453 40 0 GIABRN COc1ccc(-c2ccc(OC)cc2C(=O)N[C@@H](C)Cc2ccccn2)cc1 ZINC000019457070 570987548 /nfs/dbraw/zinc/98/75/48/570987548.db2.gz WKAIHJNVMWVOCO-INIZCTEOSA-N 0 0 376.456 4.127 40 0 GIABRN CC(C)(C)OC(=O)N1CC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)C1 ZINC000002527362 570989046 /nfs/dbraw/zinc/98/90/46/570989046.db2.gz HQRLGBJTGDDZBM-UHFFFAOYSA-N 0 0 396.466 4.255 40 0 GIABRN C[C@H]1Cc2cc(CC(=O)N3CCC[C@H](COc4ccc(F)cc4)C3)ccc2O1 ZINC000019498076 570990427 /nfs/dbraw/zinc/99/04/27/570990427.db2.gz LGXCMEYFMBHVIO-WMZOPIPTSA-N 0 0 383.463 4.009 40 0 GIABRN CC[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@@H](c2cc3ncccc3cn2)C1 ZINC000019499382 570991510 /nfs/dbraw/zinc/99/15/10/570991510.db2.gz PHMACDUSMQPJLY-DYESRHJHSA-N 0 0 393.462 4.333 40 0 GIABRN CCC(=O)N1CCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000019498783 570991771 /nfs/dbraw/zinc/99/17/71/570991771.db2.gz KQHQBOLAINMRJG-LJQANCHMSA-N 0 0 391.450 4.495 40 0 GIABRN CCC(CC)C(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(N)=O)C1 ZINC000019500058 570992280 /nfs/dbraw/zinc/99/22/80/570992280.db2.gz CQQSNDYEZKQJQE-JOCHJYFZSA-N 0 0 384.545 4.098 40 0 GIABRN CCCC(=O)N1CCC[C@](Cc2ccc(-c3ccccc3)cc2)(C(=O)NC)C1 ZINC000019501191 570992499 /nfs/dbraw/zinc/99/24/99/570992499.db2.gz VAQJVLQUDJSWEC-XMMPIXPASA-N 0 0 378.516 4.051 40 0 GIABRN CCCC(=O)N1CCC[C@@](Cc2ccc(-c3ccccc3F)cc2)(C(=O)NC)C1 ZINC000019501194 570992631 /nfs/dbraw/zinc/99/26/31/570992631.db2.gz RWKRQRKZMNYIKJ-DEOSSOPVSA-N 0 0 396.506 4.190 40 0 GIABRN Cc1c(/C=C2/C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cnn1C ZINC000118916045 570993735 /nfs/dbraw/zinc/99/37/35/570993735.db2.gz FDNKFHFLLFZZSM-OICSPEQSSA-N 0 0 398.591 4.486 40 0 GIABRN Cn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1 ZINC000118916029 570993942 /nfs/dbraw/zinc/99/39/42/570993942.db2.gz RIGYQZYGTOVKFZ-WELPRLBBSA-N 0 0 384.564 4.178 40 0 GIABRN Cc1c(CN(Cc2ccncc2)Cc2cccnc2)cnn1Cc1ccccc1 ZINC000019554510 571002486 /nfs/dbraw/zinc/00/24/86/571002486.db2.gz GGTOHXZCUGOIHN-UHFFFAOYSA-N 0 0 383.499 4.232 40 0 GIABRN COc1ccc([C@@H]2N[C@H](c3cccnc3OC)Cc3cc(OC)ccc32)cc1 ZINC000019557808 571003837 /nfs/dbraw/zinc/00/38/37/571003837.db2.gz HRWISRKFDMIEQE-VXKWHMMOSA-N 0 0 376.456 4.084 40 0 GIABRN Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)CC2CCCC2)c1C ZINC000019558374 571004496 /nfs/dbraw/zinc/00/44/96/571004496.db2.gz FHQBQZZDBDJZTN-SFHVURJKSA-N 0 0 397.523 4.058 40 0 GIABRN Cc1nc(C)c(C(=O)N2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)o1 ZINC000019564014 571006478 /nfs/dbraw/zinc/00/64/78/571006478.db2.gz PNXCGCLYYXOGIC-LBPRGKRZSA-N 0 0 390.390 4.093 40 0 GIABRN C[C@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)c1cc(F)cc(F)c1 ZINC000019575467 571011813 /nfs/dbraw/zinc/01/18/13/571011813.db2.gz DGCWABPBNFCHLV-SNVBAGLBSA-N 0 0 383.320 4.152 40 0 GIABRN CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccccc2)C1 ZINC000019591593 571019292 /nfs/dbraw/zinc/01/92/92/571019292.db2.gz FTECGSYSIJDGQX-SANMLTNESA-N 0 0 398.506 4.175 40 0 GIABRN Cc1cccc(C2(C(=O)NCc3cccc(N4CCCCC4)c3)CCOCC2)c1 ZINC000019662247 571026082 /nfs/dbraw/zinc/02/60/82/571026082.db2.gz LKYBRLLQXXNMSG-UHFFFAOYSA-N 0 0 392.543 4.350 40 0 GIABRN CCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(Cc1cccc(F)c1)CCC2 ZINC000019706206 571032455 /nfs/dbraw/zinc/03/24/55/571032455.db2.gz RKQMHFPBHKIXCQ-HXUWFJFHSA-N 0 0 396.510 4.341 40 0 GIABRN Cc1cc(C(F)F)n2ncc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)c2n1 ZINC000019714913 571036859 /nfs/dbraw/zinc/03/68/59/571036859.db2.gz ZSAIDQXJPKIBDD-AWEZNQCLSA-N 0 0 386.402 4.008 40 0 GIABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)cc2F)cc(-c2ccccc2)n1 ZINC000328963806 571047596 /nfs/dbraw/zinc/04/75/96/571047596.db2.gz BRPGDMABVGLCPD-LJQANCHMSA-N 0 0 384.430 4.016 40 0 GIABRN